A0A077Z2S8_TRITR Loading...

DNA repair and recombination protein RAD54-like

Involved in mitotic DNA repair and meiotic recombination. Functions in the recombinational DNA repair pathway. Essential for interhomolog gene conversion (GC), but may have a less important role in intersister GC than spn-A/Rad51. In the presence of DNA, spn-A/Rad51 enhances the ATPase activity of okr/Rad54.

AlphaFold DB , UniProt , Accession A0A077Z2S8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 862 aa.

						>A0A077Z2S8_TRITR|A0A077Z2S8
MTAETALGVSSPKRSPCKRARVEKLCDDGADEEYLQYQRSGVRWLLELYKEALGGILGDEMGLGKTVQIIGFLVAVSLSRFCGLGPVLILCPATLLFHWVGEFHKWWPKFRVAVLHDSGSFQGPREELIRKIVANCGVLITSYGMLLRVTDKLLKYNWHIVVLDEGHLIRNPDAKWTLLVKKLRTPYRYIVSGSPMQNSLRELWSLMDFVYPGLLGDLTTFLRELGVPITQGGYANATSLQVKTAYRCAQLLRTKISPCLLRRLKNEVNGDVNLPLKSDHVLFCQLTEEQKAIYREYVQSDECLRILDGQIQIFVGLTYLRKLCNHPDLVKSKSYGFWRRSGKMVVLESMLKLWKSQSHRVALFSQSRQVGFYKVYFLEEQAYTYSRLDGATAVGQRQDIVRTFNADRSIFIMLSTTRVGGLGLDMTGADRVILFDPDWNPTTDVQAQERAWRIGQTRDVLVFRLITSSTVEEKIYHRQIFKQFLINRVLKNPRQKKFLKGLNVDDLFSFIDTRCNETQALFRDADSVKTDVLKRMMNSNGKTPMTVKLSDKKIRRLKEMAKRLSKSMTNNKNNNSIISSSSNSNAKKMVDGVRIPFLDKQTLVDKEADDQTCSSKQNDTSGDYILQSLLRTTSRSYICLKIYGYEISAIDSALSHDQIIDGAVDEDDPMDMEANRIAKQAIKNLKKSQRLMRRRFDCTLKNVPVCPAPTLTSSKEGDLFASNPFCHKGEDHSEKERLSGSDILQLIRKRKMLTETTKSSSSDDDDEPNEQNSSAVIRPLDRAPNDFQLIPCRYAYLVDQLRLFLERSGGEATTDSIIARFESQIPQGDTAVFRSMLLNICTFRRDSTGNGFWLLKSHLSDK
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.5	Very low	28.5	Very low	241 Å²	241	135.6 Å²	135.6	100%	1.187	85%	0.848	S	S	*	*				0	90.8	0	-82.4	-178.9	167.4	0	0	108.4
2	T	30.4	Very low	28.3	Very low	143 Å²	143	134.1 Å²	134.1	88%	0.877	84%	0.841	S	S	*	*			trans	-166.6	87.6	161.3	29.6	0	0	0	0	105.3	E4	T2-E4 PolarHBondContact O-N 2.77Å
3	A	28.7	Very low	28.2	Very low	95 Å²	95	139.8 Å²	139.8	79%	0.785	85%	0.846	S	S	*	*			trans	-77.6	103.7	171.2	0	0	0	0	0	107.4	T5	A3-T5 PolarHBondContact O-N 2.68Å
4	E	30.3	Very low	28	Very low	194 Å²	194	147.1 Å²	147.1	91%	0.907	85%	0.851	S	S	*	*			trans	-89.9	99.6	161.2	-83.7	-173.5	161.1	0	0	108.1	T2	T2-E4 PolarHBondContact O-N 2.77Å
5	T	32.7	Very low	27.9	Very low	129 Å²	129	143.2 Å²	143.2	79%	0.791	84%	0.836	S	S	*	*			trans	-63	131.6	179.8	-25.2	0	0	0	0	110.3	A3 L7	A3-T5 PolarHBondContact O-N 2.68Å; T5-L7 PolarHBondContact O-N 3.14Å
6	A	29.7	Very low	28.1	Very low	97 Å²	97	142.8 Å²	142.8	80%	0.802	84%	0.839	S	S	*	*			trans	-48.8	112.5	178.4	0	0	0	0	0	114	G8	A6-G8 PolarHBondContact O-N 3.08Å
7	L	29.7	Very low	27.9	Very low	170 Å²	170	139.8 Å²	139.8	89%	0.89	83%	0.826	S	S	*	*			trans	-88	96.8	154.7	-84.1	162.2	0	0	0	107.9	T5 V9	T5-L7 PolarHBondContact O-N 3.14Å; L7-V9 PolarHBondContact O-N 3.11Å
8	G	25.3	Very low	28	Very low	78 Å²	78	140.8 Å²	140.8	80%	0.804	82%	0.818	S	S	*	*			trans	-64.1	99.6	177.4	0	0	0	0	0	111.7	A6	A6-G8 PolarHBondContact O-N 3.08Å
9	V	27.5	Very low	28	Very low	132 Å²	132	144.9 Å²	144.9	80%	0.8	82%	0.819	S	S	*	*			trans	-92.4	102.1	156.7	-175.9	0	0	0	0	106.3	L7 S11	L7-V9 PolarHBondContact O-N 3.11Å; V9-S11 VanDerWaalsContact C-N 3.28Å; V9-S11 PolarHBondContact O-N 3.29Å
10	S	25.3	Very low	27.9	Very low	114 Å²	114	140.7 Å²	140.7	80%	0.797	80%	0.803	S	S	*	*			trans	-64.1	86.5	174.7	48.1	0	0	0	0	110
11	S	24.9	Very low	27.9	Very low	99 Å²	99	143 Å²	143	69%	0.692	80%	0.799	S	S	*	*			trans	-60.4	125.1	168.6	54.1	0	0	0	0	108.8	V9 K13	V9-S11 VanDerWaalsContact C-N 3.28Å; V9-S11 PolarHBondContact O-N 3.29Å; S11-K13 PolarHBondContact O-N 3.45Å
12	P	26	Very low	28.1	Very low	117 Å²	117	135.6 Å²	135.6	76%	0.76	77%	0.767	S	S	*	*			trans	-60.8	131.8	-175.4	23.2	-31	0	0	0	109.4	R14	P12-R14 PolarHBondContact O-N 3.02Å
13	K	26.8	Very low	28.3	Very low	209 Å²	209	133.6 Å²	133.6	91%	0.909	75%	0.747	S	S	*	*			trans	-42.9	103.2	176.7	-71.9	179	176.8	177	0	109.1	S11 S15	S11-K13 PolarHBondContact O-N 3.45Å; K13-S15 PolarHBondContact O-N 3.13Å
14	R	25.8	Very low	28.7	Very low	241 Å²	241	134.2 Å²	134.2	91%	0.909	73%	0.732	S	S	*	*			trans	-57.5	106.1	171.2	-77.9	179	173.2	174.9	-1.5	106.6	P12	P12-R14 PolarHBondContact O-N 3.02Å
15	S	25.6	Very low	29.2	Very low	89 Å²	89	128.7 Å²	128.7	62%	0.622	71%	0.709	S	S	*	*			trans	-53.8	136.2	160.1	52.8	0	0	0	0	107	K13 C17	K13-S15 PolarHBondContact O-N 3.13Å; S15-C17 PolarHBondContact O-N 3.39Å
16	P	31.5	Very low	29.7	Very low	136 Å²	136	124.7 Å²	124.7	88%	0.883	69%	0.686	S	S	*	*			trans	-69.9	81.5	-176.3	26.7	-30.9	0	0	0	108.7	K18	P16-K18 PolarHBondContact O-N 3.42Å; P16-K18 VanDerWaalsContact O-N 3.09Å
17	C	24.4	Very low	30.2	Very low	92 Å²	92	125 Å²	125	62%	0.622	67%	0.674	S	S	*	*			trans	-79.3	100.7	-172.1	-158.1	0	0	0	0	108.7	S15 R19	S15-C17 PolarHBondContact O-N 3.39Å; C17-R19 VanDerWaalsContact C-N 3.33Å; C17-R19 PolarHBondContact O-N 3.47Å
18	K	29.8	Very low	30.6	Very low	159 Å²	159	122.1 Å²	122.1	69%	0.691	66%	0.659	S	S	*	*	S	Bend	trans	64.9	10.1	146.3	-62	177.8	-179.7	172.9	0	119.1	P16 A20	P16-K18 PolarHBondContact O-N 3.42Å; P16-K18 VanDerWaalsContact O-N 3.09Å; K18-A20 PolarHBondContact O-N 3.34Å
19	R	27.7	Very low	31.3	Very low	218 Å²	218	122.1 Å²	122.1	82%	0.823	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-34.7	168.3	-148.7	172.6	-170.4	162.4	1.9	111.7	C17 R21	C17-R19 VanDerWaalsContact C-N 3.33Å; C17-R19 PolarHBondContact O-N 3.47Å; R19-R21 PolarHBondContact O-N 2.89Å
20	A	27	Very low	31.9	Very low	61 Å²	61	117.6 Å²	117.6	50%	0.504	64%	0.635	S	S	.	*	H	α-helix	trans	-74.2	-16.2	-173.8	0	0	0	0	0	116.7	K18 K24	K18-A20 PolarHBondContact O-N 3.34Å; A20-K24 WeakPolarHBondContact O-CB 3.48Å; A20-K24 WeakPolarHBondContact O-CG 3.15Å; A20-K24 PolarHBondContact O-N 3.18Å
21	R	27.8	Very low	32.5	Very low	189 Å²	189	113.6 Å²	113.6	71%	0.713	61%	0.605	S	S	*	*	H	α-helix	trans	-89.7	-23.8	-170.9	-153	170.8	-176.1	158.2	0.5	114.9	R19	R19-R21 PolarHBondContact O-N 2.89Å
22	V	33.8	Very low	33.5	Very low	86 Å²	86	118.5 Å²	118.5	52%	0.521	62%	0.617	S	S	.	*	H	α-helix	trans	-79.9	-31.4	168.4	-179.9	0	0	0	0	110	K24 L25 L46	V22-K24 VanDerWaalsContact C-N 3.33Å; V22-L25 PolarHBondContact O-N 2.87Å; V22-L46 HydrophobicContact CG1-CD2 3.79Å
23	E	35.2	Very low	35.4	Very low	100 Å²	100	118.8 Å²	118.8	47%	0.467	61%	0.608	S	S	.	*	H	α-helix	trans	-62	-41.6	167.8	-76	170.5	168.8	0	0	111	L25 C26 D27	E23-L25 PolarHBondContact O-N 3.46Å; E23-L25 VanDerWaalsContact O-N 3.1Å; E23-C26 CarbonylContact O-C 3.46Å; E23-C26 WeakPolarHBondContact O-CA 3.41Å; E23-C26 WeakPolarHBondContact O-CB 3.36Å; E23-C26 PolarHBondContact O-N 3.47Å; E23-D27 PolarHBondContact O-N 2.86Å
24	K	36.6	Very low	37.4	Very low	108 Å²	108	110.6 Å²	110.6	47%	0.47	57%	0.572	S	S	.	*	G	3₁₀ helix	trans	-62	-16.7	179	-94.5	-167.2	173	-161.2	0	116.8	A20 V22 C26 D27 D28	A20-K24 WeakPolarHBondContact O-CB 3.48Å; A20-K24 WeakPolarHBondContact O-CG 3.15Å; A20-K24 PolarHBondContact O-N 3.18Å; V22-K24 VanDerWaalsContact C-N 3.33Å; K24-C26 VanDerWaalsContact C-N 3.29Å; K24-D27 VanDerWaalsContact C-N 3.33Å; K24-D27 CarbonylContact O-C 3.54Å; K24-D27 WeakPolarHBondContact O-CA 3.41Å; K24-D27 PolarHBondContact O-N 3.31Å; K24-D28 WeakPolarHBondContact O-CB 3.37Å; K24-D28 PolarHBondContact O-N 3.44Å
25	L	41.3	Very low	39.8	Very low	79 Å²	79	101.9 Å²	101.9	41%	0.414	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-82.5	-15.6	172.9	-141.5	99.7	0	0	0	112.4	V22 E23 L78	V22-L25 PolarHBondContact O-N 2.87Å; E23-L25 PolarHBondContact O-N 3.46Å; E23-L25 VanDerWaalsContact O-N 3.1Å; L25-L78 HydrophobicContact CD1-CD1 3.92Å; L25-L78 HydrophobicContact CD2-CD1 3.31Å; L25-L78 HydrophobicContact CG-CD1 4.26Å
26	C	42	Very low	42.4	Very low	45 Å²	45	104 Å²	104	30%	0.304	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-89.2	22.1	156.7	-59.8	0	0	0	0	110.9	E23 K24 D31 R39	E23-C26 CarbonylContact O-C 3.46Å; E23-C26 WeakPolarHBondContact O-CA 3.41Å; E23-C26 WeakPolarHBondContact O-CB 3.36Å; E23-C26 PolarHBondContact O-N 3.47Å; K24-C26 VanDerWaalsContact C-N 3.29Å; C26-D31 VanDerWaalsContact C-CG 3.43Å; C26-D31 VanDerWaalsContact O-CG 3.25Å; C26-R39 PolarHBondContact O-NH1 2.63Å
27	D	40.7	Very low	44.9	Very low	104 Å²	104	98 Å²	98	56%	0.556	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.6	-28.8	164.7	-71.7	-43.7	0	0	0	112.8	E23 K24 G29 D31	E23-D27 PolarHBondContact O-N 2.86Å; K24-D27 VanDerWaalsContact C-N 3.33Å; K24-D27 CarbonylContact O-C 3.54Å; K24-D27 WeakPolarHBondContact O-CA 3.41Å; K24-D27 PolarHBondContact O-N 3.31Å; D27-G29 PolarHBondContact O-N 3.11Å; D27-D31 WeakPolarHBondContact CA-OD2 3.41Å; D27-D31 PolarHBondContact N-OD2 3Å; D27-D31 VanDerWaalsContact O-OD2 3.07Å
28	D	37	Very low	47.9	Very low	108 Å²	108	94.2 Å²	94.2	58%	0.578	48%	0.476	S	S	*	.	S	Bend	trans	-99.3	82.3	-174.1	-68.1	-32.1	0	0	0	111.2	K24 A30 D31	K24-D28 WeakPolarHBondContact O-CB 3.37Å; K24-D28 PolarHBondContact O-N 3.44Å; D28-A30 PolarHBondContact O-N 3.44Å; D28-D31 PolarHBondContact N-OD2 3.22Å
29	G	39.8	Very low	50.6	Low	78 Å²	78	89.7 Å²	89.7	80%	0.804	46%	0.455	S	S	*	.	S	Bend	trans	92.6	-18.6	156.3	0	0	0	0	0	117.9	D27 D31	D27-G29 PolarHBondContact O-N 3.11Å; G29-D31 VanDerWaalsContact C-N 3.33Å
30	A	40.5	Very low	53.4	Low	37 Å²	37	81.6 Å²	81.6	31%	0.306	43%	0.432	S	S	.	.	S	Bend	trans	-89	-5.4	168	0	0	0	0	0	112.5	D28 E32 E33 Y34	D28-A30 PolarHBondContact O-N 3.44Å; A30-E32 PolarHBondContact O-N 3.05Å; A30-E33 PolarHBondContact O-N 3.01Å; A30-Y34 HydrophobicContact CB-CD2 4.21Å; A30-Y34 HydrophobicContact CB-CE2 4.24Å
31	D	38.7	Very low	56.4	Low	31 Å²	31	78.7 Å²	78.7	17%	0.166	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-39.5	-170.6	-85	-81.6	0	0	0	115.3	C26 D27 D28 G29 E33 R39	C26-D31 VanDerWaalsContact C-CG 3.43Å; C26-D31 VanDerWaalsContact O-CG 3.25Å; D27-D31 WeakPolarHBondContact CA-OD2 3.41Å; D27-D31 PolarHBondContact N-OD2 3Å; D27-D31 VanDerWaalsContact O-OD2 3.07Å; D28-D31 PolarHBondContact N-OD2 3.22Å; G29-D31 VanDerWaalsContact C-N 3.33Å; D31-E33 PolarHBondContact O-N 3.39Å; D31-R39 VanDerWaalsContact CA-NH2 3.35Å; D31-R39 PolarHBondContact O-NH2 2.93Å; D31-R39 IonicContact OD1-CZ 2.77Å; D31-R39 IonicContact OD1-NH1 2.69Å; D31-R39 PolarHBondContact OD1-NH1 3.27Å; D31-R39 IonicContact OD1-NH2 3.82Å; D31-R39 PolarHBondContact OD1-NH2 2.99Å
32	E	46.5	Very low	59.5	Low	201 Å²	201	70.5 Å²	70.5	94%	0.939	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-14.9	-174.6	-64.4	-165.4	161.7	0	0	112.7	A30	A30-E32 PolarHBondContact O-N 3.05Å
33	E	64.6	Low	62.2	Low	123 Å²	123	71.9 Å²	71.9	58%	0.575	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-27.4	-174.5	-64.2	-166	159.8	0	0	115.1	A30 D31 W106	A30-E33 PolarHBondContact O-N 3.01Å; D31-E33 PolarHBondContact O-N 3.39Å; E33-W106 HydrophobicContact CB-CH2 3.92Å; E33-W106 HydrophobicContact CB-CZ3 3.64Å; E33-W106 VanDerWaalsContact OE2-CZ3 3.25Å; E33-W106 WeakPolarHBondContact OE2-CZ3 3.1Å
34	Y	69.3	Low	64.9	Low	37 Å²	37	69 Å²	69	15%	0.145	36%	0.359	C	S	.	.	S	Bend	trans	-92.8	123.1	-178.7	-75.5	-93.5	0	0	0	113	A30 Q38 R39 V67 W106	A30-Y34 HydrophobicContact CB-CD2 4.21Å; A30-Y34 HydrophobicContact CB-CE2 4.24Å; Y34-Q38 HydrophobicContact CD1-CB 4.13Å; Y34-R39 PolarHBondContact O-NE 3.04Å; Y34-V67 HydrophobicContact CD1-CG1 4.13Å; Y34-V67 HydrophobicContact CE1-CG1 3.42Å; Y34-V67 VanDerWaalsContact CE1-CG1 3.42Å; Y34-W106 HydrophobicContact CD2-CZ3 4.09Å; Y34-W106 AromaticContact CE2-CE3 3.85Å; Y34-W106 HydrophobicContact CE2-CE3 3.85Å; Y34-W106 AromaticContact CE2-CZ3 3.67Å; Y34-W106 HydrophobicContact CE2-CZ3 3.67Å; Y34-W106 AromaticContact CZ-CE3 3.85Å; Y34-W106 AromaticContact CZ-CZ3 3.9Å
35	L	76.2	Confident	67.6	Low	58 Å²	58	63.9 Å²	63.9	30%	0.304	34%	0.337	S	S	.	.			trans	-63.7	149.8	173.2	-61.5	169	0	0	0	111.1	Y37 Q38 R39 V272	L35-Y37 VanDerWaalsContact C-N 3.33Å; L35-Y37 HydrophobicContact CB-CD1 3.7Å; L35-Y37 HydrophobicContact CB-CE1 3.46Å; L35-Y37 VanDerWaalsContact CB-CE1 3.46Å; L35-Y37 HydrophobicContact CD1-CE1 3.54Å; L35-Y37 HydrophobicContact CG-CE1 4.12Å; L35-Y37 PolarHBondContact O-N 3.28Å; L35-Q38 HydrophobicContact CB-CG 4.08Å; L35-Q38 WeakPolarHBondContact O-CA 3.37Å; L35-Q38 VanDerWaalsContact O-CB 3.3Å; L35-Q38 WeakPolarHBondContact O-CB 3.45Å; L35-Q38 PolarHBondContact O-N 3.39Å; L35-R39 PolarHBondContact O-N 2.74Å; L35-R39 VanDerWaalsContact O-N 3.15Å; L35-V272 HydrophobicContact CD1-CG2 3.99Å
36	Q	80.5	Confident	69.9	Low	133 Å²	133	61.1 Å²	61.1	62%	0.621	32%	0.323	S	S	*	.	H	α-helix	trans	-58	-42	-171.4	-173.8	176.7	18.4	0	0	112.9	Q38 R39 S40	Q36-Q38 VanDerWaalsContact C-N 3.32Å; Q36-Q38 PolarHBondContact O-N 3.45Å; Q36-R39 PolarHBondContact O-N 3.21Å; Q36-S40 PolarHBondContact O-N 3.4Å; Q36-S40 VanDerWaalsContact O-N 3.11Å; Q36-S40 PolarHBondContact O-OG 3.23Å
37	Y	84	Confident	72.2	Confident	11 Å²	11	63.7 Å²	63.7	4%	0.043	33%	0.33	C	S	.	.	H	α-helix	trans	-62.3	-37.6	173.4	79.8	-87.5	0	0	0	112.1	L35 R39 S40 G41 L63 R263 V268 D271 V272	L35-Y37 VanDerWaalsContact C-N 3.33Å; L35-Y37 HydrophobicContact CB-CD1 3.7Å; L35-Y37 HydrophobicContact CB-CE1 3.46Å; L35-Y37 VanDerWaalsContact CB-CE1 3.46Å; L35-Y37 HydrophobicContact CD1-CE1 3.54Å; L35-Y37 HydrophobicContact CG-CE1 4.12Å; L35-Y37 PolarHBondContact O-N 3.28Å; Y37-R39 VanDerWaalsContact C-N 3.32Å; Y37-R39 PolarHBondContact O-N 3.12Å; Y37-S40 WeakPolarHBondContact O-CB 3.4Å; Y37-S40 PolarHBondContact O-N 2.96Å; Y37-S40 VanDerWaalsContact O-N 3.13Å; Y37-G41 PolarHBondContact O-N 3.39Å; Y37-L63 HydrophobicContact CE2-CB 3.95Å; Y37-L63 HydrophobicContact CE2-CD2 4.33Å; Y37-L63 VanDerWaalsContact CE2-O 3.26Å; Y37-L63 WeakPolarHBondContact CE2-O 3.49Å; Y37-L63 VanDerWaalsContact OH-C 3.22Å; Y37-L63 WeakPolarHBondContact OH-CA 3.06Å; Y37-L63 PolarHBondContact OH-O 3.19Å; Y37-R263 PolarHBondContact O-NH1 2.89Å; Y37-R263 PolarHBondContact O-NH2 3.21Å; Y37-V268 HydrophobicContact CD1-CG1 3.12Å; Y37-V268 HydrophobicContact CD2-CG1 4.09Å; Y37-V268 HydrophobicContact CE1-CG1 3.62Å; Y37-V268 HydrophobicContact CG-CG1 3.38Å; Y37-V268 HydrophobicContact CG-CG2 4.45Å; Y37-D271 HydrophobicContact CD1-CB 4.06Å; Y37-D271 PolarHBondContact N-OD2 3.39Å; Y37-V272 HydrophobicContact CD1-CG2 4.32Å; Y37-V272 HydrophobicContact CE1-CG2 3.51Å
38	Q	86.6	Confident	74.5	Confident	12 Å²	12	59.2 Å²	59.2	6%	0.056	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-42.2	179.5	-61.9	175	-14	0	0	110.6	Y34 L35 Q36 S40 G41 V42 Q68	Y34-Q38 HydrophobicContact CD1-CB 4.13Å; L35-Q38 HydrophobicContact CB-CG 4.08Å; L35-Q38 WeakPolarHBondContact O-CA 3.37Å; L35-Q38 VanDerWaalsContact O-CB 3.3Å; L35-Q38 WeakPolarHBondContact O-CB 3.45Å; L35-Q38 PolarHBondContact O-N 3.39Å; Q36-Q38 VanDerWaalsContact C-N 3.32Å; Q36-Q38 PolarHBondContact O-N 3.45Å; Q38-S40 VanDerWaalsContact C-N 3.3Å; Q38-S40 PolarHBondContact O-N 2.92Å; Q38-G41 PolarHBondContact O-N 3.15Å; Q38-G41 VanDerWaalsContact O-N 3.08Å; Q38-V42 WeakPolarHBondContact O-CG2 3.43Å; Q38-V42 PolarHBondContact O-N 2.94Å; Q38-Q68 HydrophobicContact CB-CG 3.96Å; Q38-Q68 HydrophobicContact CG-CG 4.2Å
39	R	86.4	Confident	77	Confident	64 Å²	64	54.6 Å²	54.6	24%	0.242	28%	0.281	C	S	.	.	H	α-helix	trans	-58.4	-43.2	173.4	-57.2	-179.7	-171.2	-156.7	2.6	111.8	C26 D31 Y34 L35 Q36 Y37 G41 V42 R43	C26-R39 PolarHBondContact O-NH1 2.63Å; D31-R39 VanDerWaalsContact CA-NH2 3.35Å; D31-R39 PolarHBondContact O-NH2 2.93Å; D31-R39 IonicContact OD1-CZ 2.77Å; D31-R39 IonicContact OD1-NH1 2.69Å; D31-R39 PolarHBondContact OD1-NH1 3.27Å; D31-R39 IonicContact OD1-NH2 3.82Å; D31-R39 PolarHBondContact OD1-NH2 2.99Å; Y34-R39 PolarHBondContact O-NE 3.04Å; L35-R39 PolarHBondContact O-N 2.74Å; L35-R39 VanDerWaalsContact O-N 3.15Å; Q36-R39 PolarHBondContact O-N 3.21Å; Y37-R39 VanDerWaalsContact C-N 3.32Å; Y37-R39 PolarHBondContact O-N 3.12Å; R39-G41 VanDerWaalsContact C-N 3.29Å; R39-G41 PolarHBondContact O-N 3.36Å; R39-V42 PolarHBondContact O-N 3.27Å; R39-R43 WeakPolarHBondContact O-CB 3.22Å; R39-R43 PolarHBondContact O-N 3.25Å
40	S	87.7	Confident	79.2	Confident	48 Å²	48	57.5 Å²	57.5	34%	0.336	27%	0.271	S	S	.	.	H	α-helix	trans	-63.8	-35.5	176.4	-57.9	0	0	0	0	112.2	Q36 Y37 Q38 R43 W44	Q36-S40 PolarHBondContact O-N 3.4Å; Q36-S40 VanDerWaalsContact O-N 3.11Å; Q36-S40 PolarHBondContact O-OG 3.23Å; Y37-S40 WeakPolarHBondContact O-CB 3.4Å; Y37-S40 PolarHBondContact O-N 2.96Å; Y37-S40 VanDerWaalsContact O-N 3.13Å; Q38-S40 VanDerWaalsContact C-N 3.3Å; Q38-S40 PolarHBondContact O-N 2.92Å; S40-R43 PolarHBondContact O-N 3.41Å; S40-W44 WeakPolarHBondContact O-CB 3.37Å; S40-W44 PolarHBondContact O-N 2.87Å
41	G	90.3	Very high	81.2	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-68.5	-42.1	174.6	0	0	0	0	0	113.1	Y37 Q38 R39 R43 W44 L45	Y37-G41 PolarHBondContact O-N 3.39Å; Q38-G41 PolarHBondContact O-N 3.15Å; Q38-G41 VanDerWaalsContact O-N 3.08Å; R39-G41 VanDerWaalsContact C-N 3.29Å; R39-G41 PolarHBondContact O-N 3.36Å; G41-R43 VanDerWaalsContact C-N 3.34Å; G41-W44 PolarHBondContact O-N 2.94Å; G41-L45 WeakPolarHBondContact O-CG 3.18Å; G41-L45 PolarHBondContact O-N 3.01Å
42	V	91.2	Very high	83.4	Confident	18 Å²	18	62.5 Å²	62.5	11%	0.109	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-42.8	174	175.7	0	0	0	0	111	Q38 R39 W44 L45 L46 Q68 F72	Q38-V42 WeakPolarHBondContact O-CG2 3.43Å; Q38-V42 PolarHBondContact O-N 2.94Å; R39-V42 PolarHBondContact O-N 3.27Å; V42-W44 PolarHBondContact O-N 3Å; V42-L45 PolarHBondContact O-N 3.13Å; V42-L46 PolarHBondContact O-N 3.49Å; V42-Q68 HydrophobicContact CG2-CB 4.32Å; V42-Q68 WeakPolarHBondContact CG2-O 3.39Å; V42-F72 HydrophobicContact CG1-CB 4.45Å
43	R	91.1	Very high	85.2	Confident	115 Å²	115	54.3 Å²	54.3	43%	0.434	26%	0.257	S	S	.	.	H	α-helix	trans	-59.8	-46.2	176	-174.4	-178.6	-67.2	116.1	-2.5	111.6	R39 S40 G41 L45 L46 E47	R39-R43 WeakPolarHBondContact O-CB 3.22Å; R39-R43 PolarHBondContact O-N 3.25Å; S40-R43 PolarHBondContact O-N 3.41Å; G41-R43 VanDerWaalsContact C-N 3.34Å; R43-L45 PolarHBondContact O-N 3.31Å; R43-L46 WeakPolarHBondContact O-CB 3.5Å; R43-L46 PolarHBondContact O-N 3.14Å; R43-L46 VanDerWaalsContact O-N 3.16Å; R43-E47 WeakPolarHBondContact O-CG 3.37Å; R43-E47 PolarHBondContact O-N 3.25Å
44	W	92.8	Very high	86.3	Confident	39 Å²	39	48.7 Å²	48.7	15%	0.148	23%	0.231	C	C	.	.	H	α-helix	trans	-60.7	-43.1	176.9	177.4	78.7	0	0	0	112.4	S40 G41 V42 L46 E47 L48 P258 L261	S40-W44 WeakPolarHBondContact O-CB 3.37Å; S40-W44 PolarHBondContact O-N 2.87Å; G41-W44 PolarHBondContact O-N 2.94Å; V42-W44 PolarHBondContact O-N 3Å; W44-L46 VanDerWaalsContact C-N 3.29Å; W44-L46 PolarHBondContact O-N 3.39Å; W44-E47 PolarHBondContact O-N 2.93Å; W44-L48 HydrophobicContact CD2-CD1 4.03Å; W44-L48 HydrophobicContact CE3-CD1 3.99Å; W44-L48 HydrophobicContact CH2-CD1 3.45Å; W44-L48 VanDerWaalsContact CH2-CD1 3.45Å; W44-L48 HydrophobicContact CZ2-CD1 3.47Å; W44-L48 VanDerWaalsContact CZ2-CD1 3.47Å; W44-L48 HydrophobicContact CZ2-CG 4.33Å; W44-L48 HydrophobicContact CZ3-CD1 3.71Å; W44-L48 PolarHBondContact O-N 3.13Å; W44-L48 VanDerWaalsContact O-N 3.08Å; W44-P258 WeakPolarHBondContact CZ2-O 3.36Å; W44-L261 HydrophobicContact CB-CD2 4.08Å; W44-L261 HydrophobicContact CD2-CB 3.73Å; W44-L261 HydrophobicContact CD2-CD2 3.84Å; W44-L261 HydrophobicContact CD2-CG 4.33Å; W44-L261 HydrophobicContact CE3-CB 3.68Å; W44-L261 HydrophobicContact CE3-CD2 3.75Å; W44-L261 HydrophobicContact CE3-CG 4.37Å; W44-L261 HydrophobicContact CG-CB 4.49Å; W44-L261 HydrophobicContact CG-CD2 4Å; W44-L261 HydrophobicContact CH2-CB 3.67Å; W44-L261 HydrophobicContact CZ2-CB 3.72Å; W44-L261 HydrophobicContact CZ3-CB 3.66Å; W44-L261 HydrophobicContact CZ3-CD2 4.45Å
45	L	92.9	Very high	87.4	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-39.3	174.7	-71.5	170.1	0	0	0	112	G41 V42 R43 L48 Y49 I69 F72 Y189	G41-L45 WeakPolarHBondContact O-CG 3.18Å; G41-L45 PolarHBondContact O-N 3.01Å; V42-L45 PolarHBondContact O-N 3.13Å; R43-L45 PolarHBondContact O-N 3.31Å; L45-L48 PolarHBondContact O-N 2.86Å; L45-Y49 WeakPolarHBondContact O-CB 3.28Å; L45-Y49 PolarHBondContact O-N 3.11Å; L45-I69 HydrophobicContact CD1-CD1 3.95Å; L45-F72 HydrophobicContact CB-CB 4.14Å; L45-F72 HydrophobicContact CB-CD1 4.49Å; L45-F72 HydrophobicContact CB-CD2 3.59Å; L45-F72 HydrophobicContact CB-CE2 4.1Å; L45-F72 HydrophobicContact CB-CG 3.81Å; L45-F72 HydrophobicContact CD1-CB 3.79Å; L45-F72 HydrophobicContact CD1-CD1 4.47Å; L45-F72 HydrophobicContact CD1-CG 4.08Å; L45-Y189 HydrophobicContact CD2-CD1 3.75Å; L45-Y189 HydrophobicContact CD2-CE1 3.9Å
46	L	89.7	Confident	88.2	Confident	21 Å²	21	44.2 Å²	44.2	11%	0.11	21%	0.21	C	C	.	.	H	α-helix	trans	-68.4	-35.1	177.6	-172.8	67.1	0	0	0	112.5	V22 V42 R43 W44 Y49 K50 V76	V22-L46 HydrophobicContact CG1-CD2 3.79Å; V42-L46 PolarHBondContact O-N 3.49Å; R43-L46 WeakPolarHBondContact O-CB 3.5Å; R43-L46 PolarHBondContact O-N 3.14Å; R43-L46 VanDerWaalsContact O-N 3.16Å; W44-L46 VanDerWaalsContact C-N 3.29Å; W44-L46 PolarHBondContact O-N 3.39Å; L46-Y49 PolarHBondContact O-N 3.09Å; L46-K50 WeakPolarHBondContact O-CG 3.22Å; L46-K50 PolarHBondContact O-N 3.14Å; L46-V76 HydrophobicContact CD1-CG2 4.36Å
47	E	90.4	Very high	88.8	Confident	99 Å²	99	38 Å²	38	46%	0.463	18%	0.181	S	C	.	.	H	α-helix	trans	-64.2	-46.8	173.7	-73.8	168.1	-176.5	0	0	111.2	R43 W44 Y49 K50 E51	R43-E47 WeakPolarHBondContact O-CG 3.37Å; R43-E47 PolarHBondContact O-N 3.25Å; W44-E47 PolarHBondContact O-N 2.93Å; E47-Y49 VanDerWaalsContact C-N 3.28Å; E47-Y49 PolarHBondContact O-N 2.69Å; E47-K50 WeakPolarHBondContact O-CB 3.35Å; E47-K50 PolarHBondContact O-N 3.34Å; E47-K50 VanDerWaalsContact O-N 3.11Å; E47-E51 PolarHBondContact O-N 3.2Å; E47-E51 VanDerWaalsContact O-N 3.11Å
48	L	89.4	Confident	89.1	Confident	9 Å²	9	37.5 Å²	37.5	5%	0.047	18%	0.179	C	C	.	.	H	α-helix	trans	-59	-40.9	173.7	-69.5	179	0	0	0	112.3	W44 L45 K50 E51 A52 L53 Y189	W44-L48 HydrophobicContact CD2-CD1 4.03Å; W44-L48 HydrophobicContact CE3-CD1 3.99Å; W44-L48 HydrophobicContact CH2-CD1 3.45Å; W44-L48 VanDerWaalsContact CH2-CD1 3.45Å; W44-L48 HydrophobicContact CZ2-CD1 3.47Å; W44-L48 VanDerWaalsContact CZ2-CD1 3.47Å; W44-L48 HydrophobicContact CZ2-CG 4.33Å; W44-L48 HydrophobicContact CZ3-CD1 3.71Å; W44-L48 PolarHBondContact O-N 3.13Å; W44-L48 VanDerWaalsContact O-N 3.08Å; L45-L48 PolarHBondContact O-N 2.86Å; L48-K50 VanDerWaalsContact C-N 3.32Å; L48-K50 PolarHBondContact O-N 3.11Å; L48-E51 CarbonylContact O-C 3.57Å; L48-E51 PolarHBondContact O-N 2.67Å; L48-A52 PolarHBondContact O-N 3.25Å; L48-L53 HydrophobicContact CB-CB 4.45Å; L48-L53 HydrophobicContact CD2-CB 4Å; L48-L53 HydrophobicContact CD2-CD1 4.38Å; L48-L53 PolarHBondContact O-N 3.46Å; L48-Y189 HydrophobicContact CB-CE1 4.44Å; L48-Y189 HydrophobicContact CD1-CE1 4.44Å
49	Y	88.1	Confident	89.2	Confident	12 Å²	12	36.9 Å²	36.9	5%	0.047	18%	0.177	C	C	.	.	H	α-helix	trans	-61.4	-39.7	176	-179.8	-92.2	0	0	0	112.2	L45 L46 E47 E51 A52 F72 V76 H159 I160 Y187 C706	L45-Y49 WeakPolarHBondContact O-CB 3.28Å; L45-Y49 PolarHBondContact O-N 3.11Å; L46-Y49 PolarHBondContact O-N 3.09Å; E47-Y49 VanDerWaalsContact C-N 3.28Å; E47-Y49 PolarHBondContact O-N 2.69Å; Y49-E51 VanDerWaalsContact C-N 3.3Å; Y49-E51 PolarHBondContact O-N 2.82Å; Y49-A52 PolarHBondContact O-N 2.8Å; Y49-F72 HydrophobicContact CD2-CE2 4.36Å; Y49-F72 AromaticContact CD2-CZ 3.95Å; Y49-F72 HydrophobicContact CD2-CZ 3.95Å; Y49-F72 HydrophobicContact CG-CE2 4.2Å; Y49-F72 HydrophobicContact CG-CZ 4.23Å; Y49-V76 HydrophobicContact CD1-CG2 4.26Å; Y49-V76 HydrophobicContact CD2-CG2 4.24Å; Y49-V76 HydrophobicContact CE1-CG1 4.27Å; Y49-V76 HydrophobicContact CE1-CG2 4.33Å; Y49-V76 HydrophobicContact CE2-CG1 4.08Å; Y49-V76 HydrophobicContact CE2-CG2 4.27Å; Y49-V76 HydrophobicContact CG-CG2 4.22Å; Y49-H159 AromaticContact CE2-CE1 3.89Å; Y49-H159 AromaticContact CE2-NE2 3.64Å; Y49-H159 AromaticContact CZ-CE1 3.91Å; Y49-H159 AromaticContact CZ-NE2 3.74Å; Y49-H159 PolarHBondContact OH-CE1 2.91Å; Y49-H159 PolarHBondContact OH-NE2 3.05Å; Y49-I160 HydrophobicContact CE2-CD1 4.27Å; Y49-Y187 AromaticContact CD2-CD1 3.57Å; Y49-Y187 HydrophobicContact CD2-CD1 3.57Å; Y49-Y187 AromaticContact CD2-CD2 3.98Å; Y49-Y187 HydrophobicContact CD2-CD2 3.98Å; Y49-Y187 AromaticContact CD2-CE1 3.47Å; Y49-Y187 HydrophobicContact CD2-CE1 3.47Å; Y49-Y187 VanDerWaalsContact CD2-CE1 3.47Å; Y49-Y187 AromaticContact CD2-CE2 3.95Å; Y49-Y187 HydrophobicContact CD2-CE2 3.95Å; Y49-Y187 AromaticContact CD2-CG 3.84Å; Y49-Y187 HydrophobicContact CD2-CG 3.84Å; Y49-Y187 AromaticContact CD2-CZ 3.7Å; Y49-Y187 HydrophobicContact CE2-CD1 4.03Å; Y49-Y187 AromaticContact CE2-CD2 3.59Å; Y49-Y187 HydrophobicContact CE2-CD2 3.59Å; Y49-Y187 AromaticContact CE2-CE1 3.76Å; Y49-Y187 HydrophobicContact CE2-CE1 3.76Å; Y49-Y187 AromaticContact CE2-CE2 3.37Å; Y49-Y187 HydrophobicContact CE2-CE2 3.37Å; Y49-Y187 AromaticContact CE2-CG 3.96Å; Y49-Y187 HydrophobicContact CE2-CG 3.96Å; Y49-Y187 AromaticContact CE2-CZ 3.46Å; Y49-Y187 VanDerWaalsContact CE2-CZ 3.46Å; Y49-Y187 HydrophobicContact CG-CD1 4.38Å; Y49-Y187 HydrophobicContact CG-CE1 4.02Å; Y49-Y187 AromaticContact CZ-CE2 3.97Å; Y49-Y187 AromaticContact CZ-CZ 3.92Å; Y49-Y187 VanDerWaalsContact O-CE1 3.22Å; Y49-Y187 WeakPolarHBondContact O-CE1 3.46Å; Y49-C706 PolarHBondContact OH-SG 3.11Å; Y49-C706 VanDerWaalsContact OH-SG 3.41Å
50	K	85.6	Confident	89.1	Confident	138 Å²	138	35.6 Å²	35.6	60%	0.6	17%	0.173	S	C	*	.	H	α-helix	trans	-65.7	-33.1	175.5	-71.8	168.7	-177.2	171.5	0	112.7	L46 E47 L48 A52	L46-K50 WeakPolarHBondContact O-CG 3.22Å; L46-K50 PolarHBondContact O-N 3.14Å; E47-K50 WeakPolarHBondContact O-CB 3.35Å; E47-K50 PolarHBondContact O-N 3.34Å; E47-K50 VanDerWaalsContact O-N 3.11Å; L48-K50 VanDerWaalsContact C-N 3.32Å; L48-K50 PolarHBondContact O-N 3.11Å; K50-A52 VanDerWaalsContact C-N 3.28Å; K50-A52 PolarHBondContact O-N 2.95Å
51	E	83.9	Confident	88.7	Confident	134 Å²	134	33.7 Å²	33.7	63%	0.626	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	3	178.1	-64.6	-168.9	166	0	0	113.7	E47 L48 Y49 L53	E47-E51 PolarHBondContact O-N 3.2Å; E47-E51 VanDerWaalsContact O-N 3.11Å; L48-E51 CarbonylContact O-C 3.57Å; L48-E51 PolarHBondContact O-N 2.67Å; Y49-E51 VanDerWaalsContact C-N 3.3Å; Y49-E51 PolarHBondContact O-N 2.82Å; E51-L53 HydrophobicContact CB-CB 4.47Å; E51-L53 HydrophobicContact CB-CD1 3.94Å; E51-L53 HydrophobicContact CB-CG 3.79Å; E51-L53 PolarHBondContact O-N 3.35Å; E51-L53 VanDerWaalsContact OE2-CD1 3.32Å; E51-L53 WeakPolarHBondContact OE2-CD1 3.42Å
52	A	83.3	Confident	88.1	Confident	39 Å²	39	34 Å²	34	32%	0.322	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	37.5	-172.9	0	0	0	0	0	113	L48 Y49 K50 Y187 V705	L48-A52 PolarHBondContact O-N 3.25Å; Y49-A52 PolarHBondContact O-N 2.8Å; K50-A52 VanDerWaalsContact C-N 3.28Å; K50-A52 PolarHBondContact O-N 2.95Å; A52-Y187 HydrophobicContact CB-CE1 4.42Å; A52-V705 HydrophobicContact CB-CG1 3.72Å
53	L	85.2	Confident	87.7	Confident	30 Å²	30	33.2 Å²	33.2	16%	0.157	16%	0.157	C	C	.	.			trans	-111	147.9	179.9	-60.8	-174.5	0	0	0	111.8	L48 E51 Y211	L48-L53 HydrophobicContact CB-CB 4.45Å; L48-L53 HydrophobicContact CD2-CB 4Å; L48-L53 HydrophobicContact CD2-CD1 4.38Å; L48-L53 PolarHBondContact O-N 3.46Å; E51-L53 HydrophobicContact CB-CB 4.47Å; E51-L53 HydrophobicContact CB-CD1 3.94Å; E51-L53 HydrophobicContact CB-CG 3.79Å; E51-L53 PolarHBondContact O-N 3.35Å; E51-L53 VanDerWaalsContact OE2-CD1 3.32Å; E51-L53 WeakPolarHBondContact OE2-CD1 3.42Å; L53-Y211 HydrophobicContact CD2-CD2 3.91Å; L53-Y211 HydrophobicContact CD2-CE2 3.37Å
54	G	88.4	Confident	87.4	Confident	4 Å²	4	28.4 Å²	28.4	4%	0.041	14%	0.144	C	C	.	.			trans	-83.3	164.4	165.7	0	0	0	0	0	112.2	R188 V210	G54-R188 CarbonylContact C-O 3.52Å; G54-R188 WeakPolarHBondContact CA-O 3.45Å; G54-V210 WeakPolarHBondContact O-CG1 3.33Å
55	G	92.1	Very high	87.2	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	160.3	174.2	0	0	0	0	0	114.4	R188 Y189 I190 C259	G55-R188 PolarHBondContact N-O 3.27Å; G55-Y189 VanDerWaalsContact O-CA 3.29Å; G55-Y189 WeakPolarHBondContact O-CA 3.45Å; G55-I190 PolarHBondContact O-N 2.97Å; G55-C259 CarbonylContact C-O 3.56Å; G55-C259 WeakPolarHBondContact CA-O 3.41Å
56	I	93.1	Very high	87.1	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	113.2	169.1	-55.1	179.3	0	0	0	107.9	G58 I190 P195 L206 M207 V210 C259 L260 L261	I56-G58 PolarHBondContact O-N 3.02Å; I56-I190 CarbonylContact C-O 3.56Å; I56-I190 WeakPolarHBondContact CA-O 3.06Å; I56-I190 HydrophobicContact CG1-CB 4.16Å; I56-I190 HydrophobicContact CG2-CB 4.28Å; I56-I190 HydrophobicContact CG2-CG2 4.18Å; I56-P195 HydrophobicContact CG2-CB 4.09Å; I56-L206 HydrophobicContact CD1-CB 4.17Å; I56-M207 HydrophobicContact CD1-SD 3.59Å; I56-M207 VanDerWaalsContact CD1-SD 3.59Å; I56-V210 HydrophobicContact CD1-CG2 4.35Å; I56-V210 HydrophobicContact CG1-CB 4.45Å; I56-V210 HydrophobicContact CG1-CG1 4.48Å; I56-V210 HydrophobicContact CG1-CG2 3.71Å; I56-C259 PolarHBondContact N-O 2.96Å; I56-L260 HydrophobicContact CB-CD1 3.67Å; I56-L260 HydrophobicContact CG2-CD1 3.58Å; I56-L261 PolarHBondContact O-N 3.15Å
57	L	93.4	Very high	87	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	92.1	166.4	-173.4	63.5	0	0	0	108.5	K65 Q68 I69 I190 S192 L261	L57-K65 HydrophobicContact CD2-CB 3.98Å; L57-K65 HydrophobicContact CD2-CG 3.98Å; L57-K65 HydrophobicContact CG-CD 4.32Å; L57-K65 HydrophobicContact CG-CG 4.14Å; L57-Q68 HydrophobicContact CD2-CB 4.04Å; L57-I69 HydrophobicContact CD2-CD1 4.48Å; L57-I190 PolarHBondContact N-O 3.14Å; L57-S192 PolarHBondContact O-N 2.78Å; L57-S192 VanDerWaalsContact O-N 3.13Å; L57-L261 HydrophobicContact CD1-CD2 4.07Å
58	G	89.3	Confident	87.1	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.122	C	C	.	.			trans	-93.4	11.2	-175.4	0	0	0	0	0	115.1	I56 S192 L261 R262	I56-G58 PolarHBondContact O-N 3.02Å; G58-S192 VanDerWaalsContact CA-O 3.3Å; G58-S192 WeakPolarHBondContact CA-O 3.36Å; G58-L261 VanDerWaalsContact CA-O 3.29Å; G58-L261 WeakPolarHBondContact CA-O 3.02Å; G58-L261 PolarHBondContact N-O 3.31Å; G58-R262 WeakPolarHBondContact O-CG 3.4Å
59	D	88.9	Confident	87.3	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-51.5	144.2	178.7	-77.2	-12.8	0	0	0	111.6	L63 K65 Q68 G193 R263	D59-L63 HydrophobicContact CB-CB 4.23Å; D59-L63 HydrophobicContact CB-CD1 4.11Å; D59-K65 HydrophobicContact CB-CD 4.07Å; D59-K65 HydrophobicContact CB-CG 3.87Å; D59-K65 WeakPolarHBondContact O-CD 3.31Å; D59-K65 WeakPolarHBondContact O-CE 3.29Å; D59-K65 PolarHBondContact O-NZ 3.38Å; D59-Q68 PolarHBondContact OD2-NE2 3.41Å; D59-G193 WeakPolarHBondContact O-CA 3.07Å; D59-R263 WeakPolarHBondContact OD1-CB 3.4Å; D59-R263 IonicContact OD1-CZ 3.76Å; D59-R263 PolarHBondContact OD1-N 3.37Å; D59-R263 IonicContact OD1-NE 3.03Å; D59-R263 PolarHBondContact OD1-NE 3.02Å; D59-R263 IonicContact OD1-NH2 2.95Å; D59-R263 IonicContact OD2-CZ 3.69Å; D59-R263 IonicContact OD2-NE 2.77Å; D59-R263 PolarHBondContact OD2-NE 2.93Å; D59-R263 IonicContact OD2-NH2 2.68Å; D59-R263 PolarHBondContact OD2-NH2 3Å
60	E	83.8	Confident	87.5	Confident	36 Å²	36	22.1 Å²	22.1	17%	0.168	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-53.9	155.5	177.8	-169.7	162.5	-147.8	0	0	113	G62 L63 K65 R263 K265	E60-G62 PolarHBondContact O-N 2.91Å; E60-L63 HydrophobicContact CB-CD1 3.88Å; E60-L63 HydrophobicContact CB-CG 4.36Å; E60-L63 WeakPolarHBondContact O-CB 3.25Å; E60-L63 PolarHBondContact O-N 2.87Å; E60-K65 PolarHBondContact O-NZ 3.49Å; E60-R263 PolarHBondContact N-O 2.6Å; E60-K265 HydrophobicContact CG-CD 4.35Å; E60-K265 HydrophobicContact CG-CG 4.39Å; E60-K265 WeakPolarHBondContact OE2-CB 3.28Å; E60-K265 WeakPolarHBondContact OE2-CG 3.48Å; E60-K265 PolarHBondContact OE2-N 3.44Å
61	M	81	Confident	87.6	Confident	9 Å²	9	16 Å²	16	4%	0.044	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	139.8	-179.3	-66.3	175.2	67.3	0	0	111.1	K265 Q446 E449 R450	M61-K265 WeakPolarHBondContact O-CE 3.36Å; M61-K265 PolarHBondContact O-NZ 2.97Å; M61-Q446 HydrophobicContact CE-CB 3.91Å; M61-Q446 HydrophobicContact CE-CG 3.87Å; M61-Q446 WeakPolarHBondContact CE-O 3.35Å; M61-Q446 VanDerWaalsContact SD-CA 3.58Å; M61-Q446 HydrophobicContact SD-CB 3.89Å; M61-Q446 HydrophobicContact SD-CG 3.39Å; M61-Q446 WeakPolarHBondContact SD-CG 3.03Å; M61-E449 HydrophobicContact CB-CB 3.75Å; M61-E449 HydrophobicContact CB-CG 4.05Å; M61-E449 HydrophobicContact CE-CB 4.07Å; M61-E449 HydrophobicContact CG-CB 4.5Å; M61-E449 HydrophobicContact SD-CB 3.98Å; M61-E449 HydrophobicContact SD-CG 4.18Å; M61-R450 VanDerWaalsContact CE-NH2 3.32Å
62	G	77.3	Confident	88	Confident	7 Å²	7	9.7 Å²	9.7	7%	0.072	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	89	-12.7	-176.5	0	0	0	0	0	115.6	E60 G64 I454	E60-G62 PolarHBondContact O-N 2.91Å; G62-G64 PolarHBondContact O-N 3.38Å; G62-I454 WeakPolarHBondContact O-CD1 3.35Å; G62-I454 WeakPolarHBondContact O-CG1 3.13Å
63	L	83	Confident	88.4	Confident	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.049	C	C	.	.	S	Bend	trans	-77.1	19.6	-179.8	-67.3	-178.4	0	0	0	115.4	Y37 D59 E60 Q68 K265 V272	Y37-L63 HydrophobicContact CE2-CB 3.95Å; Y37-L63 HydrophobicContact CE2-CD2 4.33Å; Y37-L63 VanDerWaalsContact CE2-O 3.26Å; Y37-L63 WeakPolarHBondContact CE2-O 3.49Å; Y37-L63 VanDerWaalsContact OH-C 3.22Å; Y37-L63 WeakPolarHBondContact OH-CA 3.06Å; Y37-L63 PolarHBondContact OH-O 3.19Å; D59-L63 HydrophobicContact CB-CB 4.23Å; D59-L63 HydrophobicContact CB-CD1 4.11Å; E60-L63 HydrophobicContact CB-CD1 3.88Å; E60-L63 HydrophobicContact CB-CG 4.36Å; E60-L63 WeakPolarHBondContact O-CB 3.25Å; E60-L63 PolarHBondContact O-N 2.87Å; L63-Q68 PolarHBondContact O-NE2 3.32Å; L63-K265 HydrophobicContact CD1-CG 4.5Å; L63-K265 HydrophobicContact CD2-CG 3.81Å; L63-K265 HydrophobicContact CG-CG 4.16Å; L63-V272 HydrophobicContact CD2-CG2 4.31Å
64	G	84	Confident	88.6	Confident	15 Å²	15	7 Å²	7	16%	0.155	5%	0.046	C	C	.	.			trans	71.7	31.1	174	0	0	0	0	0	115.5	G62 T66 V67 Q68	G62-G64 PolarHBondContact O-N 3.38Å; G64-T66 VanDerWaalsContact C-N 3.29Å; G64-T66 PolarHBondContact O-N 3.44Å; G64-V67 WeakPolarHBondContact O-CB 3.28Å; G64-V67 PolarHBondContact O-N 3.05Å; G64-V67 VanDerWaalsContact O-N 3.09Å; G64-Q68 PolarHBondContact O-N 2.91Å
65	K	89	Confident	88.5	Confident	19 Å²	19	8 Å²	8	8%	0.083	5%	0.053	C	C	.	.	H	α-helix	trans	-54	-41.4	179.8	-70.7	-173	-70.4	-74.9	0	114.1	L57 D59 E60 V67 Q68 I69 V191	L57-K65 HydrophobicContact CD2-CB 3.98Å; L57-K65 HydrophobicContact CD2-CG 3.98Å; L57-K65 HydrophobicContact CG-CD 4.32Å; L57-K65 HydrophobicContact CG-CG 4.14Å; D59-K65 HydrophobicContact CB-CD 4.07Å; D59-K65 HydrophobicContact CB-CG 3.87Å; D59-K65 WeakPolarHBondContact O-CD 3.31Å; D59-K65 WeakPolarHBondContact O-CE 3.29Å; D59-K65 PolarHBondContact O-NZ 3.38Å; E60-K65 PolarHBondContact O-NZ 3.49Å; K65-V67 VanDerWaalsContact C-N 3.31Å; K65-V67 PolarHBondContact O-N 3.33Å; K65-Q68 PolarHBondContact O-N 3.3Å; K65-I69 WeakPolarHBondContact O-CG1 3.45Å; K65-I69 PolarHBondContact O-N 3.48Å; K65-I69 VanDerWaalsContact O-N 3.09Å; K65-V191 HydrophobicContact CB-CG1 3.57Å; K65-V191 HydrophobicContact CD-CG1 3.71Å; K65-V191 HydrophobicContact CG-CG1 4.22Å
66	T	89.6	Confident	88.3	Confident	16 Å²	16	8 Å²	8	10%	0.098	5%	0.053	C	C	.	.	H	α-helix	trans	-56.7	-47.4	176.5	-48.5	0	0	0	0	111.1	G64 I69 I70 W99 E102	G64-T66 VanDerWaalsContact C-N 3.29Å; G64-T66 PolarHBondContact O-N 3.44Å; T66-I69 PolarHBondContact O-N 3.04Å; T66-I70 HydrophobicContact CG2-CD1 4.32Å; T66-I70 WeakPolarHBondContact O-CG1 3.42Å; T66-I70 PolarHBondContact O-N 3.06Å; T66-W99 HydrophobicContact CG2-CD2 3.74Å; T66-W99 HydrophobicContact CG2-CE3 3.59Å; T66-W99 HydrophobicContact CG2-CG 4.48Å; T66-W99 HydrophobicContact CG2-CH2 3.82Å; T66-W99 HydrophobicContact CG2-CZ2 3.93Å; T66-W99 HydrophobicContact CG2-CZ3 3.64Å; T66-E102 HydrophobicContact CG2-CB 4.15Å; T66-E102 HydrophobicContact CG2-CG 4.02Å
67	V	89	Confident	87.9	Confident	13 Å²	13	9.8 Å²	9.8	8%	0.079	7%	0.066	C	C	.	.	H	α-helix	trans	-65.2	-40.3	-179.7	179.5	0	0	0	0	111.1	Y34 G64 K65 I69 I70 G71 W106	Y34-V67 HydrophobicContact CD1-CG1 4.13Å; Y34-V67 HydrophobicContact CE1-CG1 3.42Å; Y34-V67 VanDerWaalsContact CE1-CG1 3.42Å; G64-V67 WeakPolarHBondContact O-CB 3.28Å; G64-V67 PolarHBondContact O-N 3.05Å; G64-V67 VanDerWaalsContact O-N 3.09Å; K65-V67 VanDerWaalsContact C-N 3.31Å; K65-V67 PolarHBondContact O-N 3.33Å; V67-I69 VanDerWaalsContact C-N 3.32Å; V67-I69 PolarHBondContact O-N 3.47Å; V67-I70 PolarHBondContact O-N 3.13Å; V67-G71 PolarHBondContact O-N 3.05Å; V67-W106 HydrophobicContact CB-CZ2 4.4Å; V67-W106 HydrophobicContact CG1-CD2 3.82Å; V67-W106 HydrophobicContact CG1-CE3 4.1Å; V67-W106 HydrophobicContact CG1-CG 4.45Å; V67-W106 HydrophobicContact CG1-CH2 3.85Å; V67-W106 HydrophobicContact CG1-CZ2 3.57Å; V67-W106 HydrophobicContact CG1-CZ3 4.1Å; V67-W106 HydrophobicContact CG2-CZ2 3.93Å
68	Q	91.5	Very high	87.4	Confident	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.6	-39	173.6	-66.6	-178.9	50.6	0	0	112.5	Q38 V42 L57 D59 L63 G64 K65 F72	Q38-Q68 HydrophobicContact CB-CG 3.96Å; Q38-Q68 HydrophobicContact CG-CG 4.2Å; V42-Q68 HydrophobicContact CG2-CB 4.32Å; V42-Q68 WeakPolarHBondContact CG2-O 3.39Å; L57-Q68 HydrophobicContact CD2-CB 4.04Å; D59-Q68 PolarHBondContact OD2-NE2 3.41Å; L63-Q68 PolarHBondContact O-NE2 3.32Å; G64-Q68 PolarHBondContact O-N 2.91Å; K65-Q68 PolarHBondContact O-N 3.3Å; Q68-F72 WeakPolarHBondContact O-CB 3.35Å; Q68-F72 PolarHBondContact O-N 3.12Å
69	I	93.4	Very high	86.8	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67	-43.1	175.1	-65.3	-66.5	0	0	0	111.1	L45 L57 K65 T66 V67 F72 L73 W99 V162 V191	L45-I69 HydrophobicContact CD1-CD1 3.95Å; L57-I69 HydrophobicContact CD2-CD1 4.48Å; K65-I69 WeakPolarHBondContact O-CG1 3.45Å; K65-I69 PolarHBondContact O-N 3.48Å; K65-I69 VanDerWaalsContact O-N 3.09Å; T66-I69 PolarHBondContact O-N 3.04Å; V67-I69 VanDerWaalsContact C-N 3.32Å; V67-I69 PolarHBondContact O-N 3.47Å; I69-F72 WeakPolarHBondContact O-CB 3.49Å; I69-F72 PolarHBondContact O-N 2.98Å; I69-L73 HydrophobicContact CG2-CD1 4.26Å; I69-L73 HydrophobicContact CG2-CG 4.38Å; I69-L73 WeakPolarHBondContact O-CG 3.23Å; I69-L73 PolarHBondContact O-N 2.72Å; I69-W99 HydrophobicContact CB-CH2 3.94Å; I69-W99 HydrophobicContact CB-CZ3 4.29Å; I69-W99 HydrophobicContact CG1-CH2 4.32Å; I69-W99 HydrophobicContact CG2-CH2 3.87Å; I69-W99 HydrophobicContact CG2-CZ3 4.04Å; I69-V162 HydrophobicContact CD1-CG1 4.37Å; I69-V162 HydrophobicContact CG1-CG1 4.47Å; I69-V162 HydrophobicContact CG2-CG1 4.29Å; I69-V162 HydrophobicContact CG2-CG2 4.1Å; I69-V191 HydrophobicContact CD1-CG2 3.69Å; I69-V191 HydrophobicContact CG1-CG2 3.6Å
70	I	92	Very high	85.1	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.2	-47.6	177.3	-64	169.3	0	0	0	110	T66 V67 F72 L73 V74 W99 E102 F103 W106 W107	T66-I70 HydrophobicContact CG2-CD1 4.32Å; T66-I70 WeakPolarHBondContact O-CG1 3.42Å; T66-I70 PolarHBondContact O-N 3.06Å; V67-I70 PolarHBondContact O-N 3.13Å; I70-F72 VanDerWaalsContact C-N 3.29Å; I70-F72 PolarHBondContact O-N 3.43Å; I70-L73 PolarHBondContact O-N 3.16Å; I70-L73 VanDerWaalsContact O-N 3.11Å; I70-V74 HydrophobicContact CG2-CG2 4.4Å; I70-V74 WeakPolarHBondContact O-CG2 3.39Å; I70-V74 PolarHBondContact O-N 3.39Å; I70-W99 HydrophobicContact CG1-CZ3 4.28Å; I70-E102 HydrophobicContact CD1-CB 3.55Å; I70-F103 HydrophobicContact CB-CE1 4.49Å; I70-F103 HydrophobicContact CD1-CD1 4.26Å; I70-F103 HydrophobicContact CD1-CE1 4.46Å; I70-F103 HydrophobicContact CD1-CG 4.35Å; I70-F103 HydrophobicContact CG1-CD1 4.04Å; I70-F103 HydrophobicContact CG1-CE1 3.79Å; I70-F103 HydrophobicContact CG1-CZ 4.05Å; I70-F103 HydrophobicContact CG2-CD1 4.2Å; I70-F103 HydrophobicContact CG2-CE1 4.26Å; I70-W106 HydrophobicContact CG2-CB 4.02Å; I70-W107 HydrophobicContact CG2-CB 4.37Å
71	G	89.7	Confident	83.6	Confident	11 Å²	11	32.1 Å²	32.1	11%	0.113	17%	0.165	C	C	.	.	H	α-helix	trans	-57.6	-40.3	175.4	0	0	0	0	0	112.9	V67 V74 A75	V67-G71 PolarHBondContact O-N 3.05Å; G71-V74 PolarHBondContact O-N 3.28Å; G71-A75 WeakPolarHBondContact O-CB 3.45Å; G71-A75 PolarHBondContact O-N 2.94Å
72	F	92.1	Very high	82.3	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.1	-46.5	172.5	163.8	-111.5	0	0	0	112.7	V42 L45 Y49 Q68 I69 I70 V74 A75 V76 I160 Y189	V42-F72 HydrophobicContact CG1-CB 4.45Å; L45-F72 HydrophobicContact CB-CB 4.14Å; L45-F72 HydrophobicContact CB-CD1 4.49Å; L45-F72 HydrophobicContact CB-CD2 3.59Å; L45-F72 HydrophobicContact CB-CE2 4.1Å; L45-F72 HydrophobicContact CB-CG 3.81Å; L45-F72 HydrophobicContact CD1-CB 3.79Å; L45-F72 HydrophobicContact CD1-CD1 4.47Å; L45-F72 HydrophobicContact CD1-CG 4.08Å; Y49-F72 HydrophobicContact CD2-CE2 4.36Å; Y49-F72 AromaticContact CD2-CZ 3.95Å; Y49-F72 HydrophobicContact CD2-CZ 3.95Å; Y49-F72 HydrophobicContact CG-CE2 4.2Å; Y49-F72 HydrophobicContact CG-CZ 4.23Å; Q68-F72 WeakPolarHBondContact O-CB 3.35Å; Q68-F72 PolarHBondContact O-N 3.12Å; I69-F72 WeakPolarHBondContact O-CB 3.49Å; I69-F72 PolarHBondContact O-N 2.98Å; I70-F72 VanDerWaalsContact C-N 3.29Å; I70-F72 PolarHBondContact O-N 3.43Å; F72-V74 VanDerWaalsContact C-N 3.31Å; F72-V74 PolarHBondContact O-N 2.88Å; F72-A75 PolarHBondContact O-N 2.97Å; F72-V76 HydrophobicContact CD2-CG2 4Å; F72-V76 HydrophobicContact CE2-CG2 3.49Å; F72-V76 VanDerWaalsContact CE2-CG2 3.49Å; F72-V76 HydrophobicContact CZ-CG2 3.81Å; F72-V76 WeakPolarHBondContact O-CG2 3.33Å; F72-V76 PolarHBondContact O-N 3.5Å; F72-I160 HydrophobicContact CE1-CD1 3.96Å; F72-I160 HydrophobicContact CE1-CG2 4.48Å; F72-I160 HydrophobicContact CZ-CD1 4.14Å; F72-Y189 HydrophobicContact CE1-CD2 4.04Å; F72-Y189 AromaticContact CE1-CE2 3.51Å; F72-Y189 HydrophobicContact CE1-CE2 3.51Å; F72-Y189 AromaticContact CE1-CZ 3.97Å; F72-Y189 AromaticContact CZ-CE2 3.62Å; F72-Y189 HydrophobicContact CZ-CE2 3.62Å; F72-Y189 AromaticContact CZ-CZ 3.7Å; F72-Y189 WeakPolarHBondContact CZ-OH 3.35Å
73	L	91.4	Very high	82	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.7	-38.7	177.7	-66.7	178.3	0	0	0	111.9	I69 I70 V76 S77 L84 V87 F103 F110 I160	I69-L73 HydrophobicContact CG2-CD1 4.26Å; I69-L73 HydrophobicContact CG2-CG 4.38Å; I69-L73 WeakPolarHBondContact O-CG 3.23Å; I69-L73 PolarHBondContact O-N 2.72Å; I70-L73 PolarHBondContact O-N 3.16Å; I70-L73 VanDerWaalsContact O-N 3.11Å; L73-V76 PolarHBondContact O-N 3.33Å; L73-S77 WeakPolarHBondContact O-CB 3.11Å; L73-S77 PolarHBondContact O-N 2.9Å; L73-L84 HydrophobicContact CB-CD2 4.4Å; L73-L84 HydrophobicContact CD2-CD1 4.18Å; L73-V87 HydrophobicContact CD1-CG1 4.2Å; L73-V87 HydrophobicContact CD2-CG1 4.12Å; L73-V87 HydrophobicContact CD2-CG2 4.05Å; L73-F103 HydrophobicContact CD1-CE1 4.07Å; L73-F103 HydrophobicContact CD1-CZ 3.92Å; L73-F110 HydrophobicContact CB-CE2 3.93Å; L73-F110 HydrophobicContact CB-CZ 4.21Å; L73-I160 HydrophobicContact CD2-CD1 3.8Å; L73-I160 HydrophobicContact CD2-CG2 4.44Å
74	V	88.9	Confident	81.9	Confident	14 Å²	14	35.3 Å²	35.3	9%	0.085	19%	0.19	C	C	.	.	H	α-helix	trans	-63.2	-47.1	174.2	173.2	0	0	0	0	110.6	I70 G71 F72 V76 S77 L78 W107 F110	I70-V74 HydrophobicContact CG2-CG2 4.4Å; I70-V74 WeakPolarHBondContact O-CG2 3.39Å; I70-V74 PolarHBondContact O-N 3.39Å; G71-V74 PolarHBondContact O-N 3.28Å; F72-V74 VanDerWaalsContact C-N 3.31Å; F72-V74 PolarHBondContact O-N 2.88Å; V74-V76 VanDerWaalsContact C-N 3.31Å; V74-V76 PolarHBondContact O-N 3.45Å; V74-S77 WeakPolarHBondContact O-CB 3.47Å; V74-S77 PolarHBondContact O-N 3.27Å; V74-S77 VanDerWaalsContact O-N 3.14Å; V74-L78 HydrophobicContact CG1-CD1 3.75Å; V74-L78 HydrophobicContact CG1-CG 4.42Å; V74-L78 WeakPolarHBondContact O-CG 3.37Å; V74-L78 PolarHBondContact O-N 3.08Å; V74-W107 HydrophobicContact CG1-CD2 4.16Å; V74-W107 HydrophobicContact CG1-CE3 4.18Å; V74-W107 HydrophobicContact CG1-CH2 4.27Å; V74-W107 HydrophobicContact CG1-CZ2 4.26Å; V74-W107 HydrophobicContact CG1-CZ3 4.24Å; V74-W107 HydrophobicContact CG2-CB 3.79Å; V74-W107 HydrophobicContact CG2-CD2 3.7Å; V74-W107 HydrophobicContact CG2-CE3 4.22Å; V74-W107 HydrophobicContact CG2-CG 3.5Å; V74-W107 VanDerWaalsContact CG2-CG 3.5Å; V74-F110 HydrophobicContact CG2-CE2 3.76Å; V74-F110 HydrophobicContact CG2-CZ 4.03Å
75	A	87.2	Confident	82	Confident	23 Å²	23	34.6 Å²	34.6	19%	0.19	18%	0.183	C	C	.	.	H	α-helix	trans	-59.7	-40.5	177.8	0	0	0	0	0	112.3	G71 F72 S79	G71-A75 WeakPolarHBondContact O-CB 3.45Å; G71-A75 PolarHBondContact O-N 2.94Å; F72-A75 PolarHBondContact O-N 2.97Å; A75-S79 PolarHBondContact O-N 3.26Å
76	V	87.8	Confident	82.1	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67.4	-43.5	174.3	174.2	0	0	0	0	111.1	L46 Y49 F72 L73 V74 L78 S79 L84 I160	L46-V76 HydrophobicContact CD1-CG2 4.36Å; Y49-V76 HydrophobicContact CD1-CG2 4.26Å; Y49-V76 HydrophobicContact CD2-CG2 4.24Å; Y49-V76 HydrophobicContact CE1-CG1 4.27Å; Y49-V76 HydrophobicContact CE1-CG2 4.33Å; Y49-V76 HydrophobicContact CE2-CG1 4.08Å; Y49-V76 HydrophobicContact CE2-CG2 4.27Å; Y49-V76 HydrophobicContact CG-CG2 4.22Å; F72-V76 HydrophobicContact CD2-CG2 4Å; F72-V76 HydrophobicContact CE2-CG2 3.49Å; F72-V76 VanDerWaalsContact CE2-CG2 3.49Å; F72-V76 HydrophobicContact CZ-CG2 3.81Å; F72-V76 WeakPolarHBondContact O-CG2 3.33Å; F72-V76 PolarHBondContact O-N 3.5Å; L73-V76 PolarHBondContact O-N 3.33Å; V74-V76 VanDerWaalsContact C-N 3.31Å; V74-V76 PolarHBondContact O-N 3.45Å; V76-L78 VanDerWaalsContact C-N 3.27Å; V76-L78 PolarHBondContact O-N 3.31Å; V76-S79 WeakPolarHBondContact O-CB 3.41Å; V76-S79 PolarHBondContact O-N 2.9Å; V76-S79 VanDerWaalsContact O-N 3.08Å; V76-S79 PolarHBondContact O-OG 3.34Å; V76-L84 HydrophobicContact CB-CD1 4.2Å; V76-L84 HydrophobicContact CG1-CD1 3.79Å; V76-I160 HydrophobicContact CG1-CD1 4.46Å
77	S	84.3	Confident	82.3	Confident	41 Å²	41	32.9 Å²	32.9	29%	0.287	17%	0.174	S	C	.	.	H	α-helix	trans	-61.4	-33.9	178.9	-173.1	0	0	0	0	113.4	L73 V74	L73-S77 WeakPolarHBondContact O-CB 3.11Å; L73-S77 PolarHBondContact O-N 2.9Å; V74-S77 WeakPolarHBondContact O-CB 3.47Å; V74-S77 PolarHBondContact O-N 3.27Å; V74-S77 VanDerWaalsContact O-N 3.14Å
78	L	81.7	Confident	82.6	Confident	85 Å²	85	32.3 Å²	32.3	45%	0.445	17%	0.17	S	C	.	.	H	α-helix	trans	-85.7	-11.4	178.7	-66	171.6	0	0	0	112.6	L25 V74 V76 R80	L25-L78 HydrophobicContact CD1-CD1 3.92Å; L25-L78 HydrophobicContact CD2-CD1 3.31Å; L25-L78 HydrophobicContact CG-CD1 4.26Å; V74-L78 HydrophobicContact CG1-CD1 3.75Å; V74-L78 HydrophobicContact CG1-CG 4.42Å; V74-L78 WeakPolarHBondContact O-CG 3.37Å; V74-L78 PolarHBondContact O-N 3.08Å; V76-L78 VanDerWaalsContact C-N 3.27Å; V76-L78 PolarHBondContact O-N 3.31Å; L78-R80 PolarHBondContact O-N 2.94Å
79	S	77	Confident	82.8	Confident	34 Å²	34	32.3 Å²	32.3	24%	0.238	17%	0.17	C	C	.	.			trans	-68.1	126.5	177	79	0	0	0	0	110.5	A75 V76 F81	A75-S79 PolarHBondContact O-N 3.26Å; V76-S79 WeakPolarHBondContact O-CB 3.41Å; V76-S79 PolarHBondContact O-N 2.9Å; V76-S79 VanDerWaalsContact O-N 3.08Å; V76-S79 PolarHBondContact O-OG 3.34Å; S79-F81 PolarHBondContact O-N 3.19Å
80	R	53.1	Low	82.9	Confident	199 Å²	199	32.3 Å²	32.3	75%	0.751	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-8.4	-171.7	-69.2	179.2	92.2	122	-3.5	115.3	L78	L78-R80 PolarHBondContact O-N 2.94Å
81	F	52.8	Low	82.8	Confident	189 Å²	189	32.3 Å²	32.3	83%	0.829	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-15.4	-163.8	-81.5	-80.7	0	0	0	115.6	S79	S79-F81 PolarHBondContact O-N 3.19Å
82	C	54.6	Low	82.7	Confident	43 Å²	43	32.7 Å²	32.7	29%	0.291	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-159.8	-7.8	176.7	-121.8	0	0	0	0	116.5	N723	C82-N723 PolarHBondContact O-ND2 3.46Å
83	G	69.8	Low	82.3	Confident	28 Å²	28	34.1 Å²	34.1	29%	0.289	18%	0.182	S	C	.	.			trans	61.8	166.3	-164	0	0	0	0	0	111.8	G85	G83-G85 PolarHBondContact O-N 2.98Å
84	L	80.8	Confident	81.7	Confident	11 Å²	11	35.1 Å²	35.1	6%	0.058	19%	0.189	C	C	.	.			trans	-76.5	119.1	174.2	-171.9	66.5	0	0	0	108.2	L73 V76 V87 F110 C136 I160 N723	L73-L84 HydrophobicContact CB-CD2 4.4Å; L73-L84 HydrophobicContact CD2-CD1 4.18Å; V76-L84 HydrophobicContact CB-CD1 4.2Å; V76-L84 HydrophobicContact CG1-CD1 3.79Å; L84-V87 HydrophobicContact CD1-CG2 3.84Å; L84-V87 HydrophobicContact CD2-CG2 3.93Å; L84-V87 HydrophobicContact CG-CG2 3.87Å; L84-F110 HydrophobicContact CD2-CD1 4.39Å; L84-F110 HydrophobicContact CD2-CE1 3.64Å; L84-F110 HydrophobicContact CD2-CE2 4.42Å; L84-F110 HydrophobicContact CD2-CZ 3.66Å; L84-C136 WeakPolarHBondContact O-CB 3.1Å; L84-I160 HydrophobicContact CD1-CD1 3.97Å; L84-N723 PolarHBondContact O-ND2 2.94Å
85	G	86.1	Confident	81.5	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.			trans	-74.2	-178.2	165.4	0	0	0	0	0	112.9	G83 V87 H159 N723	G83-G85 PolarHBondContact O-N 2.98Å; G85-V87 WeakPolarHBondContact O-CG2 3.32Å; G85-V87 PolarHBondContact O-N 3.02Å; G85-H159 PolarHBondContact N-ND1 2.96Å; G85-H159 VanDerWaalsContact N-ND1 3.14Å; G85-N723 WeakPolarHBondContact CA-ND2 3.41Å; G85-N723 PolarHBondContact N-ND2 2.93Å
86	P	91.9	Very high	81.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.179	C	C	.	.			trans	-61.3	130.4	-177.8	28	-35.6	0	0	0	112.1	V133 W158 H159 F725	P86-V133 HydrophobicContact CB-CG2 4.28Å; P86-V133 HydrophobicContact CG-CG1 4.33Å; P86-W158 HydrophobicContact CB-CE3 3.97Å; P86-W158 HydrophobicContact CB-CZ3 4.04Å; P86-H159 WeakPolarHBondContact O-CB 3.46Å; P86-H159 PolarHBondContact O-N 2.85Å; P86-F725 VanDerWaalsContact CD-CB 3.46Å; P86-F725 HydrophobicContact CG-CB 4.04Å
87	V	93.8	Very high	81.5	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.8	-178.2	-177.4	0	0	0	0	110	L73 L84 G85 I89 G137 V138 L139 I160	L73-V87 HydrophobicContact CD1-CG1 4.2Å; L73-V87 HydrophobicContact CD2-CG1 4.12Å; L73-V87 HydrophobicContact CD2-CG2 4.05Å; L84-V87 HydrophobicContact CD1-CG2 3.84Å; L84-V87 HydrophobicContact CD2-CG2 3.93Å; L84-V87 HydrophobicContact CG-CG2 3.87Å; G85-V87 WeakPolarHBondContact O-CG2 3.32Å; G85-V87 PolarHBondContact O-N 3.02Å; V87-I89 HydrophobicContact CG1-CG1 4.14Å; V87-G137 PolarHBondContact N-O 2.89Å; V87-V138 HydrophobicContact CB-CG1 4.39Å; V87-V138 HydrophobicContact CB-CG2 4.25Å; V87-V138 HydrophobicContact CG1-CG1 4.4Å; V87-L139 PolarHBondContact O-N 3.41Å; V87-I160 WeakPolarHBondContact CA-O 3.34Å; V87-I160 HydrophobicContact CG1-CB 4.26Å; V87-I160 HydrophobicContact CG2-CB 4.32Å
88	L	95	Very high	81.5	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.6	173.4	178.7	65.7	0	0	0	110.2	L90 L139 T141 W158 I160 V161 V162 L183	L88-L90 HydrophobicContact CG-CG 4.47Å; L88-L139 WeakPolarHBondContact CA-O 3.39Å; L88-L139 HydrophobicContact CD1-CB 4.22Å; L88-L139 HydrophobicContact CD1-CD2 4.09Å; L88-L139 HydrophobicContact CD1-CG 4.28Å; L88-T141 HydrophobicContact CD1-CG2 3.96Å; L88-W158 HydrophobicContact CB-CD2 3.71Å; L88-W158 HydrophobicContact CB-CE3 3.54Å; L88-W158 HydrophobicContact CB-CG 4.26Å; L88-W158 HydrophobicContact CB-CH2 4.38Å; L88-W158 HydrophobicContact CB-CZ3 3.88Å; L88-W158 HydrophobicContact CD1-CH2 4.37Å; L88-W158 HydrophobicContact CD1-CZ2 4.47Å; L88-W158 HydrophobicContact CD2-CD2 4.33Å; L88-I160 PolarHBondContact N-O 3.25Å; L88-V161 HydrophobicContact CB-CG2 4.23Å; L88-V161 HydrophobicContact CD2-CG2 4.46Å; L88-V161 CarbonylContact O-C 3.59Å; L88-V161 VanDerWaalsContact O-CA 3.32Å; L88-V161 WeakPolarHBondContact O-CA 3.1Å; L88-V162 PolarHBondContact O-N 3.08Å; L88-L183 HydrophobicContact CD2-CD1 3.93Å; L88-L183 HydrophobicContact CD2-CD2 4.14Å
89	I	95.9	Very high	81.9	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	119.9	175.1	-56.9	-178.8	0	0	0	108.5	V87 W99 F103 V138 L139 I140 T141 V162	V87-I89 HydrophobicContact CG1-CG1 4.14Å; I89-W99 HydrophobicContact CD1-CE3 3.91Å; I89-W99 HydrophobicContact CD1-CH2 4.49Å; I89-W99 HydrophobicContact CD1-CZ3 3.87Å; I89-W99 HydrophobicContact CG2-CD2 4.16Å; I89-W99 HydrophobicContact CG2-CE3 4.46Å; I89-W99 HydrophobicContact CG2-CH2 4.48Å; I89-W99 HydrophobicContact CG2-CZ2 4.2Å; I89-F103 HydrophobicContact CD1-CE2 3.66Å; I89-F103 HydrophobicContact CD1-CZ 3.63Å; I89-V138 HydrophobicContact CD1-CG1 3.6Å; I89-V138 HydrophobicContact CG1-CG1 4.02Å; I89-L139 PolarHBondContact N-O 2.9Å; I89-I140 HydrophobicContact CB-CG1 4.35Å; I89-I140 HydrophobicContact CB-CG2 4.44Å; I89-I140 HydrophobicContact CG2-CG2 4.44Å; I89-I140 WeakPolarHBondContact O-CA 3.43Å; I89-T141 PolarHBondContact O-N 3.41Å; I89-V162 WeakPolarHBondContact CA-O 3.28Å; I89-V162 HydrophobicContact CG1-CB 4.25Å
90	L	94.6	Very high	82.6	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.7	174.2	-73.3	165.8	0	0	0	108.8	L88 T141 Y143 L146 V162 L163 D164 V180 L183	L88-L90 HydrophobicContact CG-CG 4.47Å; L90-T141 WeakPolarHBondContact CA-O 3.39Å; L90-T141 HydrophobicContact CD2-CG2 3.29Å; L90-T141 HydrophobicContact CG-CG2 4.33Å; L90-Y143 HydrophobicContact CB-CE1 4.22Å; L90-L146 HydrophobicContact CD1-CD2 3.95Å; L90-L146 HydrophobicContact CD2-CB 4.08Å; L90-L146 HydrophobicContact CD2-CD1 4.35Å; L90-L146 HydrophobicContact CD2-CD2 4.1Å; L90-L146 HydrophobicContact CD2-CG 4.41Å; L90-V162 PolarHBondContact N-O 2.84Å; L90-L163 HydrophobicContact CB-CD2 3.7Å; L90-L163 HydrophobicContact CD1-CD2 3.35Å; L90-L163 HydrophobicContact CG-CD2 4.07Å; L90-D164 PolarHBondContact O-N 3.28Å; L90-V180 HydrophobicContact CD1-CG2 3.92Å; L90-L183 HydrophobicContact CD1-CD1 4.12Å
91	C	91.5	Very high	84.2	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	162.2	178.7	66.3	0	0	0	0	111.5	L95 L96 T141 S142 D164	C91-L95 HydrophobicContact CB-CB 4.25Å; C91-L96 VanDerWaalsContact SG-CD2 3.56Å; C91-T141 PolarHBondContact N-O 2.99Å; C91-T141 VanDerWaalsContact N-O 3.09Å; C91-S142 VanDerWaalsContact O-CA 3.25Å; C91-S142 WeakPolarHBondContact O-CA 3.47Å; C91-D164 HydrophobicContact CB-CB 3.65Å
92	P	87.2	Confident	86	Confident	19 Å²	19	19.6 Å²	19.6	12%	0.123	12%	0.122	C	C	.	.			trans	-53.5	145.5	167.3	-24.7	33	0	0	0	111.6	T94 L95 E165 L168	P92-T94 PolarHBondContact O-N 2.94Å; P92-L95 HydrophobicContact CG-CD1 4.23Å; P92-L95 PolarHBondContact O-N 3.04Å; P92-E165 HydrophobicContact CG-CB 3.76Å; P92-E165 HydrophobicContact CG-CG 3.85Å; P92-L168 HydrophobicContact CG-CD1 4.23Å
93	A	83.9	Confident	87.7	Confident	30 Å²	30	17.6 Å²	17.6	25%	0.248	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-56.6	-27.8	-177	0	0	0	0	0	113.6	L95 L96	A93-L95 VanDerWaalsContact C-N 3.28Å; A93-L95 PolarHBondContact O-N 3.11Å; A93-L96 HydrophobicContact CB-CD1 4.41Å; A93-L96 WeakPolarHBondContact O-CG 3.49Å
94	T	78.2	Confident	88.6	Confident	22 Å²	22	21.6 Å²	21.6	14%	0.135	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-70	-21.7	176.3	53	0	0	0	0	114	P92 V394 L422	P92-T94 PolarHBondContact O-N 2.94Å; T94-V394 HydrophobicContact CG2-CG1 4.31Å; T94-L422 HydrophobicContact CG2-CB 4.18Å; T94-L422 HydrophobicContact CG2-CD1 4.02Å; T94-L422 HydrophobicContact CG2-CD2 4.44Å; T94-L422 HydrophobicContact CG2-CG 4.45Å
95	L	85.3	Confident	88.9	Confident	11 Å²	11	27.8 Å²	27.8	6%	0.058	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-97.3	-8	-176.8	-69.4	-177.4	0	0	0	113.2	C91 P92 A93 F97 H98 W99 D164 E165	C91-L95 HydrophobicContact CB-CB 4.25Å; P92-L95 HydrophobicContact CG-CD1 4.23Å; P92-L95 PolarHBondContact O-N 3.04Å; A93-L95 VanDerWaalsContact C-N 3.28Å; A93-L95 PolarHBondContact O-N 3.11Å; L95-F97 PolarHBondContact O-N 3.33Å; L95-H98 HydrophobicContact CD2-CB 4.25Å; L95-H98 WeakPolarHBondContact O-CB 3.5Å; L95-H98 PolarHBondContact O-N 3.49Å; L95-H98 VanDerWaalsContact O-N 3.11Å; L95-W99 VanDerWaalsContact O-CD1 3.3Å; L95-W99 PolarHBondContact O-N 2.86Å; L95-D164 VanDerWaalsContact CD1-OD2 3.26Å; L95-D164 WeakPolarHBondContact CD1-OD2 3.41Å; L95-E165 HydrophobicContact CD1-CG 4.29Å
96	L	88.3	Confident	88.9	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-52.3	-52.6	-177	-66.3	171.1	0	0	0	112.2	C91 A93 W99 V100 V114 H116 I140	C91-L96 VanDerWaalsContact SG-CD2 3.56Å; A93-L96 HydrophobicContact CB-CD1 4.41Å; A93-L96 WeakPolarHBondContact O-CG 3.49Å; L96-W99 PolarHBondContact O-N 2.73Å; L96-V100 WeakPolarHBondContact O-CG2 3.39Å; L96-V100 PolarHBondContact O-N 3.23Å; L96-V114 HydrophobicContact CB-CG1 4.22Å; L96-V114 HydrophobicContact CD1-CG1 4.09Å; L96-V114 HydrophobicContact CD2-CG1 4.32Å; L96-V114 HydrophobicContact CG-CG1 4.46Å; L96-H116 HydrophobicContact CD1-CB 3.66Å; L96-I140 HydrophobicContact CD2-CG2 3.72Å
97	F	85.2	Confident	88.6	Confident	101 Å²	101	32.9 Å²	32.9	44%	0.443	17%	0.166	S	C	.	.	H	α-helix	trans	-76.1	-25.5	-178.8	-62.9	-72.4	0	0	0	113.2	L95 V100 G101 S118	L95-F97 PolarHBondContact O-N 3.33Å; F97-V100 PolarHBondContact O-N 3.09Å; F97-G101 PolarHBondContact O-N 3.32Å; F97-S118 WeakPolarHBondContact CE2-OG 3.27Å; F97-S118 WeakPolarHBondContact CZ-O 3.28Å; F97-S118 WeakPolarHBondContact CZ-OG 3.29Å
98	H	85.3	Confident	88.3	Confident	48 Å²	48	37.2 Å²	37.2	22%	0.222	19%	0.193	C	C	.	.	H	α-helix	trans	-62.3	-48.4	170.8	177.7	60.3	0	0	0	110.1	L95 V100 G101 E102	L95-H98 HydrophobicContact CD2-CB 4.25Å; L95-H98 WeakPolarHBondContact O-CB 3.5Å; L95-H98 PolarHBondContact O-N 3.49Å; L95-H98 VanDerWaalsContact O-N 3.11Å; H98-V100 VanDerWaalsContact C-N 3.35Å; H98-V100 PolarHBondContact O-N 3.15Å; H98-G101 PolarHBondContact O-N 2.85Å; H98-E102 IonicContact CE1-OE1 3.62Å; H98-E102 PolarHBondContact CE1-OE1 3.11Å; H98-E102 VanDerWaalsContact CE1-OE1 3.25Å; H98-E102 IonicContact ND1-OE1 3.68Å; H98-E102 WeakPolarHBondContact O-CG 3.47Å; H98-E102 PolarHBondContact O-N 3.33Å
99	W	90.8	Very high	87.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.9	-44.7	174.3	-83	93.9	0	0	0	112.6	T66 I69 I70 I89 L95 L96 G101 E102 F103 I140 D164	T66-W99 HydrophobicContact CG2-CD2 3.74Å; T66-W99 HydrophobicContact CG2-CE3 3.59Å; T66-W99 HydrophobicContact CG2-CG 4.48Å; T66-W99 HydrophobicContact CG2-CH2 3.82Å; T66-W99 HydrophobicContact CG2-CZ2 3.93Å; T66-W99 HydrophobicContact CG2-CZ3 3.64Å; I69-W99 HydrophobicContact CB-CH2 3.94Å; I69-W99 HydrophobicContact CB-CZ3 4.29Å; I69-W99 HydrophobicContact CG1-CH2 4.32Å; I69-W99 HydrophobicContact CG2-CH2 3.87Å; I69-W99 HydrophobicContact CG2-CZ3 4.04Å; I70-W99 HydrophobicContact CG1-CZ3 4.28Å; I89-W99 HydrophobicContact CD1-CE3 3.91Å; I89-W99 HydrophobicContact CD1-CH2 4.49Å; I89-W99 HydrophobicContact CD1-CZ3 3.87Å; I89-W99 HydrophobicContact CG2-CD2 4.16Å; I89-W99 HydrophobicContact CG2-CE3 4.46Å; I89-W99 HydrophobicContact CG2-CH2 4.48Å; I89-W99 HydrophobicContact CG2-CZ2 4.2Å; L95-W99 VanDerWaalsContact O-CD1 3.3Å; L95-W99 PolarHBondContact O-N 2.86Å; L96-W99 PolarHBondContact O-N 2.73Å; W99-G101 VanDerWaalsContact C-N 3.34Å; W99-G101 PolarHBondContact O-N 3.21Å; W99-E102 PolarHBondContact O-N 3.28Å; W99-F103 HydrophobicContact CE3-CD2 4.36Å; W99-F103 AromaticContact CE3-CE2 3.66Å; W99-F103 HydrophobicContact CE3-CE2 3.66Å; W99-F103 HydrophobicContact CE3-CZ 4.24Å; W99-F103 HydrophobicContact CZ3-CE2 4.26Å; W99-F103 HydrophobicContact CZ3-CZ 4.41Å; W99-F103 WeakPolarHBondContact O-CD2 3.27Å; W99-F103 PolarHBondContact O-N 3.1Å; W99-I140 HydrophobicContact CB-CD1 3.69Å; W99-I140 HydrophobicContact CB-CG2 4.43Å; W99-D164 HydrophobicContact CZ2-CB 3.98Å; W99-D164 PolarHBondContact NE1-OD2 3.33Å
100	V	90.2	Very high	87.5	Confident	25 Å²	25	46.7 Å²	46.7	15%	0.152	24%	0.235	C	C	.	.	H	α-helix	trans	-59.6	-44.7	176.3	175.5	0	0	0	0	111.5	L96 F97 H98 F103 H104 V112 V114 I140	L96-V100 WeakPolarHBondContact O-CG2 3.39Å; L96-V100 PolarHBondContact O-N 3.23Å; F97-V100 PolarHBondContact O-N 3.09Å; H98-V100 VanDerWaalsContact C-N 3.35Å; H98-V100 PolarHBondContact O-N 3.15Å; V100-F103 PolarHBondContact O-N 3.1Å; V100-H104 VanDerWaalsContact CG1-CE1 3.45Å; V100-H104 WeakPolarHBondContact CG1-CE1 3.47Å; V100-H104 PolarHBondContact O-N 3.38Å; V100-H104 PolarHBondContact O-ND1 2.93Å; V100-V112 HydrophobicContact CG2-CG1 4.21Å; V100-V114 HydrophobicContact CG2-CG2 3.33Å; V100-I140 HydrophobicContact CG2-CD1 3.94Å
101	G	87.8	Confident	87.3	Confident	37 Å²	37	52.8 Å²	52.8	38%	0.381	26%	0.258	S	S	.	.	H	α-helix	trans	-60.9	-45.6	176.6	0	0	0	0	0	112.4	F97 H98 W99 H104 K105	F97-G101 PolarHBondContact O-N 3.32Å; H98-G101 PolarHBondContact O-N 2.85Å; W99-G101 VanDerWaalsContact C-N 3.34Å; W99-G101 PolarHBondContact O-N 3.21Å; G101-H104 PolarHBondContact O-N 3.29Å; G101-K105 WeakPolarHBondContact O-CB 3.38Å; G101-K105 PolarHBondContact O-N 3.41Å
102	E	89.2	Confident	87.3	Confident	37 Å²	37	54.2 Å²	54.2	17%	0.173	27%	0.266	C	S	.	.	H	α-helix	trans	-64.6	-39.9	176.7	-65.1	-59.3	143.4	0	0	111.8	T66 I70 H98 W99 K105 W106	T66-E102 HydrophobicContact CG2-CB 4.15Å; T66-E102 HydrophobicContact CG2-CG 4.02Å; I70-E102 HydrophobicContact CD1-CB 3.55Å; H98-E102 IonicContact CE1-OE1 3.62Å; H98-E102 PolarHBondContact CE1-OE1 3.11Å; H98-E102 VanDerWaalsContact CE1-OE1 3.25Å; H98-E102 IonicContact ND1-OE1 3.68Å; H98-E102 WeakPolarHBondContact O-CG 3.47Å; H98-E102 PolarHBondContact O-N 3.33Å; W99-E102 PolarHBondContact O-N 3.28Å; E102-K105 PolarHBondContact O-N 3.05Å; E102-W106 WeakPolarHBondContact O-CB 3.46Å; E102-W106 PolarHBondContact O-N 3.12Å; E102-W106 PolarHBondContact OE2-NE1 3.36Å
103	F	91.3	Very high	87.5	Confident	1 Å²	1	54 Å²	54	0%	0.004	27%	0.267	C	S	.	.	H	α-helix	trans	-62.4	-45.9	174.1	-85.1	-66.8	0	0	0	112.4	I70 L73 I89 W99 V100 K105 W107 F110 V112 V138 I140	I70-F103 HydrophobicContact CB-CE1 4.49Å; I70-F103 HydrophobicContact CD1-CD1 4.26Å; I70-F103 HydrophobicContact CD1-CE1 4.46Å; I70-F103 HydrophobicContact CD1-CG 4.35Å; I70-F103 HydrophobicContact CG1-CD1 4.04Å; I70-F103 HydrophobicContact CG1-CE1 3.79Å; I70-F103 HydrophobicContact CG1-CZ 4.05Å; I70-F103 HydrophobicContact CG2-CD1 4.2Å; I70-F103 HydrophobicContact CG2-CE1 4.26Å; L73-F103 HydrophobicContact CD1-CE1 4.07Å; L73-F103 HydrophobicContact CD1-CZ 3.92Å; I89-F103 HydrophobicContact CD1-CE2 3.66Å; I89-F103 HydrophobicContact CD1-CZ 3.63Å; W99-F103 HydrophobicContact CE3-CD2 4.36Å; W99-F103 AromaticContact CE3-CE2 3.66Å; W99-F103 HydrophobicContact CE3-CE2 3.66Å; W99-F103 HydrophobicContact CE3-CZ 4.24Å; W99-F103 HydrophobicContact CZ3-CE2 4.26Å; W99-F103 HydrophobicContact CZ3-CZ 4.41Å; W99-F103 WeakPolarHBondContact O-CD2 3.27Å; W99-F103 PolarHBondContact O-N 3.1Å; V100-F103 PolarHBondContact O-N 3.1Å; F103-K105 VanDerWaalsContact C-N 3.26Å; F103-K105 PolarHBondContact O-N 3.16Å; F103-W107 CarbonylContact O-C 3.51Å; F103-W107 WeakPolarHBondContact O-CA 3.48Å; F103-W107 PolarHBondContact O-N 3.13Å; F103-W107 VanDerWaalsContact O-O 3.06Å; F103-F110 AromaticContact CD1-CD2 3.87Å; F103-F110 HydrophobicContact CD1-CD2 3.87Å; F103-F110 AromaticContact CE1-CD2 3.8Å; F103-F110 HydrophobicContact CE1-CD2 3.8Å; F103-F110 HydrophobicContact CE1-CE2 4.36Å; F103-V112 HydrophobicContact CB-CG2 3.72Å; F103-V112 HydrophobicContact CD1-CG2 4.12Å; F103-V112 HydrophobicContact CD2-CG1 4.14Å; F103-V112 HydrophobicContact CD2-CG2 3.95Å; F103-V112 HydrophobicContact CG-CG2 3.68Å; F103-V138 HydrophobicContact CE1-CG2 4.32Å; F103-V138 HydrophobicContact CE2-CG1 3.95Å; F103-V138 HydrophobicContact CZ-CG1 3.83Å; F103-V138 HydrophobicContact CZ-CG2 4.29Å; F103-I140 HydrophobicContact CD2-CD1 4.05Å; F103-I140 HydrophobicContact CE2-CD1 4.07Å
104	H	89.3	Confident	87.9	Confident	111 Å²	111	53.5 Å²	53.5	51%	0.514	26%	0.26	S	S	.	.	H	α-helix	trans	-66.2	-29.7	177.5	-68.6	153.9	0	0	0	112.9	V100 G101 P108	V100-H104 VanDerWaalsContact CG1-CE1 3.45Å; V100-H104 WeakPolarHBondContact CG1-CE1 3.47Å; V100-H104 PolarHBondContact O-N 3.38Å; V100-H104 PolarHBondContact O-ND1 2.93Å; G101-H104 PolarHBondContact O-N 3.29Å; H104-P108 VanDerWaalsContact O-CG 3.29Å; H104-P108 WeakPolarHBondContact O-CG 3.31Å
105	K	87.1	Confident	88.5	Confident	142 Å²	142	52.6 Å²	52.6	62%	0.617	26%	0.255	S	S	*	.	H	α-helix	trans	-74.1	-55.1	176.8	-176.4	-179.2	176.2	-174.2	0	111.9	G101 E102 F103	G101-K105 WeakPolarHBondContact O-CB 3.38Å; G101-K105 PolarHBondContact O-N 3.41Å; E102-K105 PolarHBondContact O-N 3.05Å; F103-K105 VanDerWaalsContact C-N 3.26Å; F103-K105 PolarHBondContact O-N 3.16Å
106	W	85.2	Confident	88.5	Confident	44 Å²	44	54.5 Å²	54.5	17%	0.167	26%	0.263	C	S	.	.	H	α-helix	trans	-86.8	-30.1	-170.4	-68.1	97.5	0	0	0	113.5	E33 Y34 V67 I70 E102	E33-W106 HydrophobicContact CB-CH2 3.92Å; E33-W106 HydrophobicContact CB-CZ3 3.64Å; E33-W106 VanDerWaalsContact OE2-CZ3 3.25Å; E33-W106 WeakPolarHBondContact OE2-CZ3 3.1Å; Y34-W106 HydrophobicContact CD2-CZ3 4.09Å; Y34-W106 AromaticContact CE2-CE3 3.85Å; Y34-W106 HydrophobicContact CE2-CE3 3.85Å; Y34-W106 AromaticContact CE2-CZ3 3.67Å; Y34-W106 HydrophobicContact CE2-CZ3 3.67Å; Y34-W106 AromaticContact CZ-CE3 3.85Å; Y34-W106 AromaticContact CZ-CZ3 3.9Å; V67-W106 HydrophobicContact CB-CZ2 4.4Å; V67-W106 HydrophobicContact CG1-CD2 3.82Å; V67-W106 HydrophobicContact CG1-CE3 4.1Å; V67-W106 HydrophobicContact CG1-CG 4.45Å; V67-W106 HydrophobicContact CG1-CH2 3.85Å; V67-W106 HydrophobicContact CG1-CZ2 3.57Å; V67-W106 HydrophobicContact CG1-CZ3 4.1Å; V67-W106 HydrophobicContact CG2-CZ2 3.93Å; I70-W106 HydrophobicContact CG2-CB 4.02Å; E102-W106 WeakPolarHBondContact O-CB 3.46Å; E102-W106 PolarHBondContact O-N 3.12Å; E102-W106 PolarHBondContact OE2-NE1 3.36Å
107	W	86.6	Confident	88.2	Confident	63 Å²	63	58.8 Å²	58.8	24%	0.239	29%	0.286	C	S	.	.			trans	-154.4	77.4	179.2	-161.2	-106.6	0	0	0	113.7	I70 V74 F103 K109 F110	I70-W107 HydrophobicContact CG2-CB 4.37Å; V74-W107 HydrophobicContact CG1-CD2 4.16Å; V74-W107 HydrophobicContact CG1-CE3 4.18Å; V74-W107 HydrophobicContact CG1-CH2 4.27Å; V74-W107 HydrophobicContact CG1-CZ2 4.26Å; V74-W107 HydrophobicContact CG1-CZ3 4.24Å; V74-W107 HydrophobicContact CG2-CB 3.79Å; V74-W107 HydrophobicContact CG2-CD2 3.7Å; V74-W107 HydrophobicContact CG2-CE3 4.22Å; V74-W107 HydrophobicContact CG2-CG 3.5Å; V74-W107 VanDerWaalsContact CG2-CG 3.5Å; F103-W107 CarbonylContact O-C 3.51Å; F103-W107 WeakPolarHBondContact O-CA 3.48Å; F103-W107 PolarHBondContact O-N 3.13Å; F103-W107 VanDerWaalsContact O-O 3.06Å; W107-K109 HydrophobicContact CH2-CD 4.49Å; W107-K109 HydrophobicContact CZ2-CD 3.95Å; W107-K109 PolarHBondContact O-N 3.01Å; W107-F110 HydrophobicContact CB-CD2 4.37Å; W107-F110 AromaticContact CD1-CD1 3.78Å; W107-F110 AromaticContact CD1-CD2 3.48Å; W107-F110 VanDerWaalsContact CD1-CD2 3.48Å; W107-F110 AromaticContact CD1-CE1 3.92Å; W107-F110 AromaticContact CD1-CE2 3.64Å; W107-F110 AromaticContact CD1-CG 3.55Å; W107-F110 AromaticContact CD1-CZ 3.85Å; W107-F110 HydrophobicContact CG-CD2 4.26Å; W107-F110 HydrophobicContact CG-CE2 4.34Å; W107-F110 AromaticContact NE1-CE1 3.89Å; W107-F110 PolarHBondContact O-N 3.24Å
108	P	87.6	Confident	87.9	Confident	90 Å²	90	56.5 Å²	56.5	58%	0.584	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-16.4	-177	-8.4	10.1	0	0	0	115.1	H104 F110	H104-P108 VanDerWaalsContact O-CG 3.29Å; H104-P108 WeakPolarHBondContact O-CG 3.31Å; P108-F110 VanDerWaalsContact C-N 3.27Å; P108-F110 PolarHBondContact O-N 3.1Å
109	K	85.4	Confident	87.6	Confident	173 Å²	173	55.2 Å²	55.2	75%	0.752	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-18.9	-178.7	-65.8	-178.2	179.2	175.6	0	113.4	W107	W107-K109 HydrophobicContact CH2-CD 4.49Å; W107-K109 HydrophobicContact CZ2-CD 3.95Å; W107-K109 PolarHBondContact O-N 3.01Å
110	F	87.1	Confident	87	Confident	26 Å²	26	61.1 Å²	61.1	11%	0.114	32%	0.323	C	S	.	.	S	Bend	trans	-73.5	133.2	177.7	-78	-30	0	0	0	111.8	L73 V74 L84 F103 W107 P108 V112	L73-F110 HydrophobicContact CB-CE2 3.93Å; L73-F110 HydrophobicContact CB-CZ 4.21Å; V74-F110 HydrophobicContact CG2-CE2 3.76Å; V74-F110 HydrophobicContact CG2-CZ 4.03Å; L84-F110 HydrophobicContact CD2-CD1 4.39Å; L84-F110 HydrophobicContact CD2-CE1 3.64Å; L84-F110 HydrophobicContact CD2-CE2 4.42Å; L84-F110 HydrophobicContact CD2-CZ 3.66Å; F103-F110 AromaticContact CD1-CD2 3.87Å; F103-F110 HydrophobicContact CD1-CD2 3.87Å; F103-F110 AromaticContact CE1-CD2 3.8Å; F103-F110 HydrophobicContact CE1-CD2 3.8Å; F103-F110 HydrophobicContact CE1-CE2 4.36Å; W107-F110 HydrophobicContact CB-CD2 4.37Å; W107-F110 AromaticContact CD1-CD1 3.78Å; W107-F110 AromaticContact CD1-CD2 3.48Å; W107-F110 VanDerWaalsContact CD1-CD2 3.48Å; W107-F110 AromaticContact CD1-CE1 3.92Å; W107-F110 AromaticContact CD1-CE2 3.64Å; W107-F110 AromaticContact CD1-CG 3.55Å; W107-F110 AromaticContact CD1-CZ 3.85Å; W107-F110 HydrophobicContact CG-CD2 4.26Å; W107-F110 HydrophobicContact CG-CE2 4.34Å; W107-F110 AromaticContact NE1-CE1 3.89Å; W107-F110 PolarHBondContact O-N 3.24Å; P108-F110 VanDerWaalsContact C-N 3.27Å; P108-F110 PolarHBondContact O-N 3.1Å; F110-V112 HydrophobicContact CB-CG2 4.1Å; F110-V112 PolarHBondContact O-N 3.4Å; F110-V112 VanDerWaalsContact O-N 3.14Å
111	R	90.3	Very high	86.6	Confident	129 Å²	129	63.2 Å²	63.2	49%	0.487	33%	0.33	S	S	.	.			trans	-75.2	102	168.6	-175	-177.4	179.5	101.1	5.1	109.1	I132 G137 V138	R111-I132 HydrophobicContact CG-CD1 3.99Å; R111-G137 CarbonylContact O-C 3.59Å; R111-G137 WeakPolarHBondContact O-CA 3.5Å; R111-V138 PolarHBondContact O-N 2.84Å
112	V	92	Very high	86	Confident	29 Å²	29	70.6 Å²	70.6	18%	0.176	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135.9	179.7	-174.3	0	0	0	0	110.4	V100 F103 F110 V138 I140	V100-V112 HydrophobicContact CG2-CG1 4.21Å; F103-V112 HydrophobicContact CB-CG2 3.72Å; F103-V112 HydrophobicContact CD1-CG2 4.12Å; F103-V112 HydrophobicContact CD2-CG1 4.14Å; F103-V112 HydrophobicContact CD2-CG2 3.95Å; F103-V112 HydrophobicContact CG-CG2 3.68Å; F110-V112 HydrophobicContact CB-CG2 4.1Å; F110-V112 PolarHBondContact O-N 3.4Å; F110-V112 VanDerWaalsContact O-N 3.14Å; V112-V138 WeakPolarHBondContact CA-O 3.43Å; V112-V138 HydrophobicContact CG2-CB 4.28Å; V112-I140 HydrophobicContact CG1-CD1 3.36Å; V112-I140 HydrophobicContact CG1-CG1 3.97Å
113	A	91.7	Very high	85.6	Confident	16 Å²	16	70.9 Å²	70.9	13%	0.132	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	143.8	171.7	0	0	0	0	0	112.2	L128 I132 V138 L139 I140	A113-L128 HydrophobicContact CB-CD1 3.85Å; A113-L128 HydrophobicContact CB-CD2 4.45Å; A113-L128 HydrophobicContact CB-CG 4.38Å; A113-I132 HydrophobicContact CB-CD1 3.52Å; A113-I132 HydrophobicContact CB-CG1 3.82Å; A113-V138 PolarHBondContact N-O 3.5Å; A113-L139 HydrophobicContact CB-CD1 4.35Å; A113-I140 PolarHBondContact O-N 2.95Å
114	V	92.1	Very high	85.3	Confident	18 Å²	18	75.2 Å²	75.2	11%	0.109	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	116.4	175.2	179.2	0	0	0	0	109.7	L96 V100 H116 I140	L96-V114 HydrophobicContact CB-CG1 4.22Å; L96-V114 HydrophobicContact CD1-CG1 4.09Å; L96-V114 HydrophobicContact CD2-CG1 4.32Å; L96-V114 HydrophobicContact CG-CG1 4.46Å; V100-V114 HydrophobicContact CG2-CG2 3.33Å; V114-H116 HydrophobicContact CG1-CB 3.83Å; V114-H116 PolarHBondContact O-N 3.33Å; V114-I140 CarbonylContact C-O 3.58Å; V114-I140 WeakPolarHBondContact CA-O 3.42Å
115	L	90.1	Very high	85.1	Confident	4 Å²	4	74.7 Å²	74.7	2%	0.021	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	86.9	169.1	178.2	68.2	0	0	0	109	R125 L128 I129 L139 I140 T141 M145 V149 L153	L115-R125 HydrophobicContact CD1-CB 3.8Å; L115-R125 HydrophobicContact CD1-CG 3.98Å; L115-L128 HydrophobicContact CB-CD2 4.45Å; L115-L128 HydrophobicContact CD1-CD2 4.27Å; L115-I129 HydrophobicContact CD2-CD1 4.07Å; L115-I129 HydrophobicContact CD2-CG1 4.19Å; L115-L139 HydrophobicContact CB-CD1 3.88Å; L115-L139 HydrophobicContact CB-CG 4.28Å; L115-L139 HydrophobicContact CD2-CD2 4.16Å; L115-I140 PolarHBondContact N-O 3.39Å; L115-T141 PolarHBondContact O-OG1 2.97Å; L115-M145 HydrophobicContact CG-CG 4.29Å; L115-M145 WeakPolarHBondContact O-CG 3.45Å; L115-V149 HydrophobicContact CD2-CG1 4.29Å; L115-L153 HydrophobicContact CD2-CD1 4.44Å; L115-L153 HydrophobicContact CD2-CD2 4.46Å
116	H	87.1	Confident	85.1	Confident	50 Å²	50	69.9 Å²	69.9	23%	0.231	37%	0.37	C	S	.	.	S	Bend	trans	-158.6	164.6	175.1	-169.4	-111.6	0	0	0	109.5	L96 V114 S118 G119 S142	L96-H116 HydrophobicContact CD1-CB 3.66Å; V114-H116 HydrophobicContact CG1-CB 3.83Å; V114-H116 PolarHBondContact O-N 3.33Å; H116-S118 PolarHBondContact ND1-N 2.87Å; H116-S118 PolarHBondContact ND1-OG 3.38Å; H116-S118 PolarHBondContact O-N 3.28Å; H116-G119 PolarHBondContact O-N 3.38Å; H116-S142 PolarHBondContact CD2-OG 3.24Å
117	D	82	Confident	85.2	Confident	91 Å²	91	70.1 Å²	70.1	49%	0.487	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.2	176.5	-62.5	-32.4	0	0	0	112.5	G119 R125 R148	D117-G119 VanDerWaalsContact C-N 3.33Å; D117-R125 IonicContact OD1-CZ 2.79Å; D117-R125 IonicContact OD1-NH2 2.91Å; D117-R125 PolarHBondContact OD1-NH2 3.3Å; D117-R148 IonicContact OD2-NH1 3.11Å; D117-R148 PolarHBondContact OD2-NH1 3.41Å
118	S	77.4	Confident	85.2	Confident	52 Å²	52	67.7 Å²	67.7	36%	0.364	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-1	173.5	64.8	0	0	0	0	113.8	F97 H116	F97-S118 WeakPolarHBondContact CE2-OG 3.27Å; F97-S118 WeakPolarHBondContact CZ-O 3.28Å; F97-S118 WeakPolarHBondContact CZ-OG 3.29Å; H116-S118 PolarHBondContact ND1-N 2.87Å; H116-S118 PolarHBondContact ND1-OG 3.38Å; H116-S118 PolarHBondContact O-N 3.28Å
119	G	78.6	Confident	85.3	Confident	21 Å²	21	63.4 Å²	63.4	22%	0.216	34%	0.336	C	S	.	.	S	Bend	trans	-71.4	152.7	178.3	0	0	0	0	0	111.9	H116 D117 F121	H116-G119 PolarHBondContact O-N 3.38Å; D117-G119 VanDerWaalsContact C-N 3.33Å; G119-F121 VanDerWaalsContact C-N 3.26Å; G119-F121 PolarHBondContact O-N 3.41Å
120	S	78.8	Confident	85.5	Confident	124 Å²	124	60.1 Å²	60.1	87%	0.867	32%	0.319	S	S	*	.	S	Bend	trans	-75.2	-11.1	179	53.9	0	0	0	0	114.2	Q122	S120-Q122 PolarHBondContact O-N 3.48Å
121	F	81	Confident	85.5	Confident	69 Å²	69	63.1 Å²	63.1	30%	0.303	33%	0.332	S	S	.	.			trans	-73.7	113.2	-175.1	-178.3	-100.6	0	0	0	111.8	G119 E127 L128	G119-F121 VanDerWaalsContact C-N 3.26Å; G119-F121 PolarHBondContact O-N 3.41Å; F121-E127 HydrophobicContact CZ-CB 4.19Å; F121-E127 HydrophobicContact CZ-CG 4.26Å; F121-L128 HydrophobicContact CB-CD1 4.2Å; F121-L128 HydrophobicContact CB-CD2 4.04Å; F121-L128 HydrophobicContact CD1-CB 3.78Å; F121-L128 HydrophobicContact CD1-CD1 4.37Å; F121-L128 HydrophobicContact CD1-CD2 4.18Å; F121-L128 HydrophobicContact CD1-CG 4.34Å; F121-L128 HydrophobicContact CD2-CD1 3.85Å; F121-L128 HydrophobicContact CE1-CB 3.77Å; F121-L128 HydrophobicContact CE2-CD1 4.3Å; F121-L128 HydrophobicContact CG-CB 4.16Å; F121-L128 HydrophobicContact CG-CD1 3.87Å; F121-L128 HydrophobicContact CG-CD2 4.14Å; F121-L128 HydrophobicContact CG-CG 4.28Å; F121-L128 HydrophobicContact CZ-CB 4.16Å
122	Q	75.9	Confident	85.4	Confident	192 Å²	192	57 Å²	57	90%	0.897	31%	0.309	S	S	*	.			trans	-91.1	105.6	171.5	-62.2	-178	2.5	0	0	109	S120	S120-Q122 PolarHBondContact O-N 3.48Å
123	G	80.4	Confident	85.2	Confident	43 Å²	43	55.8 Å²	55.8	44%	0.443	30%	0.302	S	S	.	.	S	Bend	trans	159.5	177.9	178	0	0	0	0	0	113.7	R125	G123-R125 PolarHBondContact O-N 3.2Å
124	P	85.4	Confident	85	Confident	93 Å²	93	58 Å²	58	60%	0.604	32%	0.32	S	S	*	.			trans	-64.4	126.5	176.3	24.9	-30.8	0	0	0	109.8	E126 E127	P124-E126 PolarHBondContact O-N 3.2Å; P124-E127 HydrophobicContact CG-CB 3.99Å; P124-E127 VanDerWaalsContact O-CB 3.23Å; P124-E127 WeakPolarHBondContact O-CB 3.43Å; P124-E127 PolarHBondContact O-N 3.02Å
125	R	85.2	Confident	84.7	Confident	99 Å²	99	61.5 Å²	61.5	37%	0.374	34%	0.338	S	S	.	.	H	α-helix	trans	-54.3	-27.2	-176.3	-65.3	-178.5	-171.2	130.4	-7.9	114.5	L115 D117 G123 E127 L128 I129	L115-R125 HydrophobicContact CD1-CB 3.8Å; L115-R125 HydrophobicContact CD1-CG 3.98Å; D117-R125 IonicContact OD1-CZ 2.79Å; D117-R125 IonicContact OD1-NH2 2.91Å; D117-R125 PolarHBondContact OD1-NH2 3.3Å; G123-R125 PolarHBondContact O-N 3.2Å; R125-E127 VanDerWaalsContact C-N 3.32Å; R125-L128 PolarHBondContact O-N 2.82Å; R125-I129 WeakPolarHBondContact O-CG1 3.43Å; R125-I129 PolarHBondContact O-N 3.14Å
126	E	86.4	Confident	84.6	Confident	42 Å²	42	62.7 Å²	62.7	20%	0.196	35%	0.347	C	S	.	.	H	α-helix	trans	-67	-33.6	176.2	-162.8	159.7	172.2	0	0	113	P124 I129 R130 K152	P124-E126 PolarHBondContact O-N 3.2Å; E126-I129 PolarHBondContact O-N 3.47Å; E126-R130 WeakPolarHBondContact O-CB 3.49Å; E126-R130 PolarHBondContact O-N 3.47Å; E126-K152 HydrophobicContact CB-CD 3.91Å; E126-K152 HydrophobicContact CG-CD 4.06Å; E126-K152 WeakPolarHBondContact OE2-CD 3.17Å; E126-K152 WeakPolarHBondContact OE2-CE 3.35Å; E126-K152 IonicContact OE2-NZ 2.98Å; E126-K152 PolarHBondContact OE2-NZ 2.85Å
127	E	87.4	Confident	84.7	Confident	49 Å²	49	60.5 Å²	60.5	23%	0.229	34%	0.337	C	S	.	.	H	α-helix	trans	-66.5	-41.5	175.8	-173.4	57.5	-144.6	0	0	110.9	F121 P124 R125 I129 R130 K131	F121-E127 HydrophobicContact CZ-CB 4.19Å; F121-E127 HydrophobicContact CZ-CG 4.26Å; P124-E127 HydrophobicContact CG-CB 3.99Å; P124-E127 VanDerWaalsContact O-CB 3.23Å; P124-E127 WeakPolarHBondContact O-CB 3.43Å; P124-E127 PolarHBondContact O-N 3.02Å; R125-E127 VanDerWaalsContact C-N 3.32Å; E127-I129 VanDerWaalsContact C-N 3.34Å; E127-I129 PolarHBondContact O-N 3.1Å; E127-R130 PolarHBondContact O-N 3.48Å; E127-R130 IonicContact OE1-NH1 2.8Å; E127-R130 IonicContact OE2-CZ 2.64Å; E127-R130 VanDerWaalsContact OE2-CZ 3.3Å; E127-R130 IonicContact OE2-NH1 3.96Å; E127-R130 PolarHBondContact OE2-NH1 3.04Å; E127-R130 IonicContact OE2-NH2 3.7Å; E127-K131 HydrophobicContact CG-CD 4.25Å; E127-K131 WeakPolarHBondContact O-CB 3.26Å; E127-K131 WeakPolarHBondContact O-CG 3.37Å; E127-K131 PolarHBondContact O-N 3.2Å; E127-K131 WeakPolarHBondContact OE1-CE 3.43Å
128	L	88	Confident	85.3	Confident	12 Å²	12	56.2 Å²	56.2	6%	0.063	31%	0.314	C	S	.	.	H	α-helix	trans	-59.3	-47.4	175.2	-176.7	61.4	0	0	0	111.3	A113 L115 F121 R125 R130 K131 I132	A113-L128 HydrophobicContact CB-CD1 3.85Å; A113-L128 HydrophobicContact CB-CD2 4.45Å; A113-L128 HydrophobicContact CB-CG 4.38Å; L115-L128 HydrophobicContact CB-CD2 4.45Å; L115-L128 HydrophobicContact CD1-CD2 4.27Å; F121-L128 HydrophobicContact CB-CD1 4.2Å; F121-L128 HydrophobicContact CB-CD2 4.04Å; F121-L128 HydrophobicContact CD1-CB 3.78Å; F121-L128 HydrophobicContact CD1-CD1 4.37Å; F121-L128 HydrophobicContact CD1-CD2 4.18Å; F121-L128 HydrophobicContact CD1-CG 4.34Å; F121-L128 HydrophobicContact CD2-CD1 3.85Å; F121-L128 HydrophobicContact CE1-CB 3.77Å; F121-L128 HydrophobicContact CE2-CD1 4.3Å; F121-L128 HydrophobicContact CG-CB 4.16Å; F121-L128 HydrophobicContact CG-CD1 3.87Å; F121-L128 HydrophobicContact CG-CD2 4.14Å; F121-L128 HydrophobicContact CG-CG 4.28Å; F121-L128 HydrophobicContact CZ-CB 4.16Å; R125-L128 PolarHBondContact O-N 2.82Å; L128-R130 VanDerWaalsContact C-N 3.35Å; L128-R130 PolarHBondContact O-N 3.07Å; L128-K131 PolarHBondContact O-N 2.85Å; L128-I132 HydrophobicContact CD1-CG1 4.34Å; L128-I132 VanDerWaalsContact O-CG1 3.29Å; L128-I132 WeakPolarHBondContact O-CG1 3.2Å; L128-I132 PolarHBondContact O-N 2.89Å
129	I	89.4	Confident	86.1	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.8	-48.4	178	-64.1	164.6	0	0	0	109.7	L115 R125 E126 E127 K131 I132 V133 L139 V149 K152 L153 Y156 W158	L115-I129 HydrophobicContact CD2-CD1 4.07Å; L115-I129 HydrophobicContact CD2-CG1 4.19Å; R125-I129 WeakPolarHBondContact O-CG1 3.43Å; R125-I129 PolarHBondContact O-N 3.14Å; E126-I129 PolarHBondContact O-N 3.47Å; E127-I129 VanDerWaalsContact C-N 3.34Å; E127-I129 PolarHBondContact O-N 3.1Å; I129-K131 PolarHBondContact O-N 3.34Å; I129-I132 PolarHBondContact O-N 3.29Å; I129-V133 HydrophobicContact CG2-CG2 4.22Å; I129-V133 WeakPolarHBondContact O-CB 3.43Å; I129-V133 VanDerWaalsContact O-CG2 3.3Å; I129-V133 WeakPolarHBondContact O-CG2 3.36Å; I129-V133 PolarHBondContact O-N 3.34Å; I129-L139 HydrophobicContact CG1-CD2 3.98Å; I129-V149 HydrophobicContact CD1-CG1 3.59Å; I129-K152 HydrophobicContact CD1-CB 4.21Å; I129-L153 HydrophobicContact CD1-CD2 3.76Å; I129-L153 HydrophobicContact CD1-CG 4.12Å; I129-L153 HydrophobicContact CG1-CD2 4.11Å; I129-L153 HydrophobicContact CG2-CD2 4.29Å; I129-Y156 HydrophobicContact CG2-CD2 3.64Å; I129-Y156 HydrophobicContact CG2-CE2 3.57Å; I129-Y156 HydrophobicContact CG2-CG 4.46Å; I129-W158 HydrophobicContact CG2-CZ2 4.4Å
130	R	88.7	Confident	86.9	Confident	104 Å²	104	52.7 Å²	52.7	39%	0.392	29%	0.287	S	S	.	.	H	α-helix	trans	-59.8	-46.4	-180	-165.4	-171.2	-52.4	135.4	13.6	112.1	E126 E127 L128 I132 V133 A134	E126-R130 WeakPolarHBondContact O-CB 3.49Å; E126-R130 PolarHBondContact O-N 3.47Å; E127-R130 PolarHBondContact O-N 3.48Å; E127-R130 IonicContact OE1-NH1 2.8Å; E127-R130 IonicContact OE2-CZ 2.64Å; E127-R130 VanDerWaalsContact OE2-CZ 3.3Å; E127-R130 IonicContact OE2-NH1 3.96Å; E127-R130 PolarHBondContact OE2-NH1 3.04Å; E127-R130 IonicContact OE2-NH2 3.7Å; L128-R130 VanDerWaalsContact C-N 3.35Å; L128-R130 PolarHBondContact O-N 3.07Å; R130-I132 VanDerWaalsContact C-N 3.31Å; R130-I132 PolarHBondContact O-N 2.76Å; R130-V133 PolarHBondContact O-N 3.05Å; R130-A134 VanDerWaalsContact O-CB 3.3Å; R130-A134 WeakPolarHBondContact O-CB 3.15Å; R130-A134 PolarHBondContact O-N 3.34Å
131	K	88.6	Confident	87.6	Confident	89 Å²	89	46.8 Å²	46.8	39%	0.387	25%	0.245	S	C	.	.	H	α-helix	trans	-63.2	-35.4	178.2	-75.1	-179.4	178.4	-179.7	0	112.7	E127 L128 I129 N135	E127-K131 HydrophobicContact CG-CD 4.25Å; E127-K131 WeakPolarHBondContact O-CB 3.26Å; E127-K131 WeakPolarHBondContact O-CG 3.37Å; E127-K131 PolarHBondContact O-N 3.2Å; E127-K131 WeakPolarHBondContact OE1-CE 3.43Å; L128-K131 PolarHBondContact O-N 2.85Å; I129-K131 PolarHBondContact O-N 3.34Å; K131-N135 WeakPolarHBondContact O-CB 3.43Å; K131-N135 VanDerWaalsContact O-CG 3.31Å; K131-N135 PolarHBondContact O-N 3.48Å; K131-N135 PolarHBondContact O-ND2 2.95Å
132	I	88	Confident	88.1	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-75	-42.6	178.1	-68.6	-71.1	0	0	0	110.8	R111 A113 L128 I129 R130 N135 C136 G137 L139	R111-I132 HydrophobicContact CG-CD1 3.99Å; A113-I132 HydrophobicContact CB-CD1 3.52Å; A113-I132 HydrophobicContact CB-CG1 3.82Å; L128-I132 HydrophobicContact CD1-CG1 4.34Å; L128-I132 VanDerWaalsContact O-CG1 3.29Å; L128-I132 WeakPolarHBondContact O-CG1 3.2Å; L128-I132 PolarHBondContact O-N 2.89Å; I129-I132 PolarHBondContact O-N 3.29Å; R130-I132 VanDerWaalsContact C-N 3.31Å; R130-I132 PolarHBondContact O-N 2.76Å; I132-N135 CarbonylContact O-C 3.4Å; I132-N135 PolarHBondContact O-N 3.05Å; I132-C136 PolarHBondContact O-N 2.94Å; I132-C136 VanDerWaalsContact O-N 3.07Å; I132-G137 PolarHBondContact O-N 3Å; I132-L139 HydrophobicContact CG1-CD1 4.37Å; I132-L139 HydrophobicContact CG2-CB 4Å
133	V	88.1	Confident	88.7	Confident	3 Å²	3	35.3 Å²	35.3	2%	0.018	19%	0.193	C	C	.	.	H	α-helix	trans	-62.5	-45.9	176.7	173	0	0	0	0	111.1	P86 I129 R130 N135 C136 Y156 W158	P86-V133 HydrophobicContact CB-CG2 4.28Å; P86-V133 HydrophobicContact CG-CG1 4.33Å; I129-V133 HydrophobicContact CG2-CG2 4.22Å; I129-V133 WeakPolarHBondContact O-CB 3.43Å; I129-V133 VanDerWaalsContact O-CG2 3.3Å; I129-V133 WeakPolarHBondContact O-CG2 3.36Å; I129-V133 PolarHBondContact O-N 3.34Å; R130-V133 PolarHBondContact O-N 3.05Å; V133-N135 VanDerWaalsContact C-N 3.3Å; V133-N135 PolarHBondContact O-N 3.15Å; V133-C136 PolarHBondContact O-N 3.44Å; V133-C136 VanDerWaalsContact O-N 3.16Å; V133-Y156 HydrophobicContact CB-CD1 4.22Å; V133-Y156 HydrophobicContact CG1-CD1 3.85Å; V133-Y156 HydrophobicContact CG1-CE1 4.45Å; V133-Y156 HydrophobicContact CG2-CD1 4.04Å; V133-Y156 HydrophobicContact CG2-CG 4.03Å; V133-W158 HydrophobicContact CG2-CH2 4.02Å; V133-W158 HydrophobicContact CG2-CZ2 4.38Å; V133-W158 HydrophobicContact CG2-CZ3 4.37Å
134	A	86.7	Confident	89	Confident	63 Å²	63	35 Å²	35	52%	0.521	19%	0.19	S	C	.	.	H	α-helix	trans	-61.9	-36.2	178.6	0	0	0	0	0	113.1	R130 C136	R130-A134 VanDerWaalsContact O-CB 3.3Å; R130-A134 WeakPolarHBondContact O-CB 3.15Å; R130-A134 PolarHBondContact O-N 3.34Å; A134-C136 VanDerWaalsContact C-N 3.35Å
135	N	86.3	Confident	89.2	Confident	91 Å²	91	30.7 Å²	30.7	49%	0.487	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	9.3	179.4	-67.3	-38.6	0	0	0	113.4	K131 I132 V133 G137	K131-N135 WeakPolarHBondContact O-CB 3.43Å; K131-N135 VanDerWaalsContact O-CG 3.31Å; K131-N135 PolarHBondContact O-N 3.48Å; K131-N135 PolarHBondContact O-ND2 2.95Å; I132-N135 CarbonylContact O-C 3.4Å; I132-N135 PolarHBondContact O-N 3.05Å; V133-N135 VanDerWaalsContact C-N 3.3Å; V133-N135 PolarHBondContact O-N 3.15Å; N135-G137 PolarHBondContact O-N 3.4Å; N135-G137 VanDerWaalsContact O-N 3.13Å
136	C	87.4	Confident	89.3	Confident	29 Å²	29	26 Å²	26	20%	0.196	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	37.6	-175.3	-66.5	0	0	0	0	114.1	L84 I132 V133 A134 N723 C726	L84-C136 WeakPolarHBondContact O-CB 3.1Å; I132-C136 PolarHBondContact O-N 2.94Å; I132-C136 VanDerWaalsContact O-N 3.07Å; V133-C136 PolarHBondContact O-N 3.44Å; V133-C136 VanDerWaalsContact O-N 3.16Å; A134-C136 VanDerWaalsContact C-N 3.35Å; C136-N723 PolarHBondContact SG-ND2 3.41Å; C136-C726 PolarHBondContact SG-SG 3.04Å
137	G	89.9	Confident	89.4	Confident	3 Å²	3	27.1 Å²	27.1	3%	0.031	15%	0.15	C	C	.	.			trans	-82.3	-178.8	-177.7	0	0	0	0	0	113.8	V87 R111 I132 N135	V87-G137 PolarHBondContact N-O 2.89Å; R111-G137 CarbonylContact O-C 3.59Å; R111-G137 WeakPolarHBondContact O-CA 3.5Å; I132-G137 PolarHBondContact O-N 3Å; N135-G137 PolarHBondContact O-N 3.4Å; N135-G137 VanDerWaalsContact O-N 3.13Å
138	V	93.6	Very high	89.3	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118	174.8	-175.1	0	0	0	0	109.4	V87 I89 F103 R111 V112 A113 I140	V87-V138 HydrophobicContact CB-CG1 4.39Å; V87-V138 HydrophobicContact CB-CG2 4.25Å; V87-V138 HydrophobicContact CG1-CG1 4.4Å; I89-V138 HydrophobicContact CD1-CG1 3.6Å; I89-V138 HydrophobicContact CG1-CG1 4.02Å; F103-V138 HydrophobicContact CE1-CG2 4.32Å; F103-V138 HydrophobicContact CE2-CG1 3.95Å; F103-V138 HydrophobicContact CZ-CG1 3.83Å; F103-V138 HydrophobicContact CZ-CG2 4.29Å; R111-V138 PolarHBondContact O-N 2.84Å; V112-V138 WeakPolarHBondContact CA-O 3.43Å; V112-V138 HydrophobicContact CG2-CB 4.28Å; A113-V138 PolarHBondContact N-O 3.5Å; V138-I140 HydrophobicContact CG1-CG1 4.2Å
139	L	94.6	Very high	89.3	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	118.6	172.9	-169.4	65.7	0	0	0	109.8	V87 L88 I89 A113 L115 I129 I132 L153 W158	V87-L139 PolarHBondContact O-N 3.41Å; L88-L139 WeakPolarHBondContact CA-O 3.39Å; L88-L139 HydrophobicContact CD1-CB 4.22Å; L88-L139 HydrophobicContact CD1-CD2 4.09Å; L88-L139 HydrophobicContact CD1-CG 4.28Å; I89-L139 PolarHBondContact N-O 2.9Å; A113-L139 HydrophobicContact CB-CD1 4.35Å; L115-L139 HydrophobicContact CB-CD1 3.88Å; L115-L139 HydrophobicContact CB-CG 4.28Å; L115-L139 HydrophobicContact CD2-CD2 4.16Å; I129-L139 HydrophobicContact CG1-CD2 3.98Å; I132-L139 HydrophobicContact CG1-CD1 4.37Å; I132-L139 HydrophobicContact CG2-CB 4Å; L139-L153 HydrophobicContact CD2-CD2 3.87Å; L139-W158 HydrophobicContact CB-CH2 3.96Å; L139-W158 HydrophobicContact CB-CZ3 4.09Å; L139-W158 HydrophobicContact CD2-CH2 3.6Å; L139-W158 HydrophobicContact CD2-CZ2 4.2Å; L139-W158 HydrophobicContact CG-CH2 4.44Å
140	I	95.1	Very high	89.1	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	126.5	175.6	-49.1	172.6	0	0	0	108.1	I89 L96 W99 V100 F103 V112 A113 V114 L115 V138	I89-I140 HydrophobicContact CB-CG1 4.35Å; I89-I140 HydrophobicContact CB-CG2 4.44Å; I89-I140 HydrophobicContact CG2-CG2 4.44Å; I89-I140 WeakPolarHBondContact O-CA 3.43Å; L96-I140 HydrophobicContact CD2-CG2 3.72Å; W99-I140 HydrophobicContact CB-CD1 3.69Å; W99-I140 HydrophobicContact CB-CG2 4.43Å; V100-I140 HydrophobicContact CG2-CD1 3.94Å; F103-I140 HydrophobicContact CD2-CD1 4.05Å; F103-I140 HydrophobicContact CE2-CD1 4.07Å; V112-I140 HydrophobicContact CG1-CD1 3.36Å; V112-I140 HydrophobicContact CG1-CG1 3.97Å; A113-I140 PolarHBondContact O-N 2.95Å; V114-I140 CarbonylContact C-O 3.58Å; V114-I140 WeakPolarHBondContact CA-O 3.42Å; L115-I140 PolarHBondContact N-O 3.39Å; V138-I140 HydrophobicContact CG1-CG1 4.2Å
141	T	93.4	Very high	88.9	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	157.4	178.9	-162.6	0	0	0	0	111.7	L88 I89 L90 C91 L115 M145	L88-T141 HydrophobicContact CD1-CG2 3.96Å; I89-T141 PolarHBondContact O-N 3.41Å; L90-T141 WeakPolarHBondContact CA-O 3.39Å; L90-T141 HydrophobicContact CD2-CG2 3.29Å; L90-T141 HydrophobicContact CG-CG2 4.33Å; C91-T141 PolarHBondContact N-O 2.99Å; C91-T141 VanDerWaalsContact N-O 3.09Å; L115-T141 PolarHBondContact O-OG1 2.97Å; T141-M145 WeakPolarHBondContact OG1-CB 3.38Å
142	S	91	Very high	88.8	Confident	5 Å²	5	33.3 Å²	33.3	4%	0.035	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	152.3	177.1	76.1	0	0	0	0	111	C91 H116 G144 M145 L146	C91-S142 VanDerWaalsContact O-CA 3.25Å; C91-S142 WeakPolarHBondContact O-CA 3.47Å; H116-S142 PolarHBondContact CD2-OG 3.24Å; S142-G144 PolarHBondContact O-N 3.35Å; S142-M145 PolarHBondContact O-N 3.39Å; S142-M145 WeakPolarHBondContact OG-CB 3.3Å; S142-M145 PolarHBondContact OG-N 3.13Å; S142-M145 VanDerWaalsContact OG-N 3.13Å; S142-L146 PolarHBondContact O-N 3.3Å
143	Y	88.6	Confident	88.8	Confident	15 Å²	15	33.3 Å²	33.3	6%	0.059	18%	0.182	C	C	.	.	H	α-helix	trans	-50.8	-48.7	170.2	-70.6	-86.4	0	0	0	110.2	L90 M145 L146 D164 L168 I169 W176	L90-Y143 HydrophobicContact CB-CE1 4.22Å; Y143-M145 PolarHBondContact O-N 3.47Å; Y143-M145 VanDerWaalsContact O-N 3.16Å; Y143-L146 WeakPolarHBondContact O-CB 3.15Å; Y143-L146 PolarHBondContact O-N 3.02Å; Y143-D164 VanDerWaalsContact CE2-O 3.31Å; Y143-D164 WeakPolarHBondContact CE2-O 3.46Å; Y143-D164 PolarHBondContact OH-O 3.32Å; Y143-L168 HydrophobicContact CD2-CD1 3.53Å; Y143-L168 HydrophobicContact CE2-CD1 3.46Å; Y143-L168 VanDerWaalsContact CE2-CD1 3.46Å; Y143-L168 HydrophobicContact CG-CD1 4.2Å; Y143-I169 HydrophobicContact CE1-CG2 4.34Å; Y143-W176 WeakPolarHBondContact O-CZ3 3.48Å
144	G	88.1	Confident	88.8	Confident	37 Å²	37	35.1 Å²	35.1	38%	0.381	19%	0.191	S	C	.	.	H	α-helix	trans	-44.8	-46.7	173.7	0	0	0	0	0	114.2	S142 W176	S142-G144 PolarHBondContact O-N 3.35Å; G144-W176 VanDerWaalsContact CA-CH2 3.43Å
145	M	88.3	Confident	88.8	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-76.5	-29.9	-175.5	-162.8	58.2	-166.6	0	0	113.4	L115 T141 S142 Y143 L147 R148 V149	L115-M145 HydrophobicContact CG-CG 4.29Å; L115-M145 WeakPolarHBondContact O-CG 3.45Å; T141-M145 WeakPolarHBondContact OG1-CB 3.38Å; S142-M145 PolarHBondContact O-N 3.39Å; S142-M145 WeakPolarHBondContact OG-CB 3.3Å; S142-M145 PolarHBondContact OG-N 3.13Å; S142-M145 VanDerWaalsContact OG-N 3.13Å; Y143-M145 PolarHBondContact O-N 3.47Å; Y143-M145 VanDerWaalsContact O-N 3.16Å; M145-L147 VanDerWaalsContact C-N 3.27Å; M145-L147 PolarHBondContact O-N 2.85Å; M145-R148 HydrophobicContact CE-CB 4.39Å; M145-R148 PolarHBondContact O-N 3.38Å; M145-R148 HydrophobicContact SD-CB 4.28Å; M145-V149 HydrophobicContact CE-CG2 3.41Å; M145-V149 VanDerWaalsContact CE-CG2 3.41Å; M145-V149 HydrophobicContact CG-CG2 4.46Å; M145-V149 PolarHBondContact O-N 2.75Å; M145-V149 HydrophobicContact SD-CG2 4.49Å
146	L	88.4	Confident	88.9	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-52.9	-45.7	173.9	-178.6	66.4	0	0	0	111.1	L90 S142 Y143 R148 V149 T150 L153 V180	L90-L146 HydrophobicContact CD1-CD2 3.95Å; L90-L146 HydrophobicContact CD2-CB 4.08Å; L90-L146 HydrophobicContact CD2-CD1 4.35Å; L90-L146 HydrophobicContact CD2-CD2 4.1Å; L90-L146 HydrophobicContact CD2-CG 4.41Å; S142-L146 PolarHBondContact O-N 3.3Å; Y143-L146 WeakPolarHBondContact O-CB 3.15Å; Y143-L146 PolarHBondContact O-N 3.02Å; L146-R148 VanDerWaalsContact C-N 3.25Å; L146-R148 PolarHBondContact O-N 3.21Å; L146-V149 CarbonylContact O-C 3.53Å; L146-V149 PolarHBondContact O-N 2.94Å; L146-T150 WeakPolarHBondContact O-CA 3.46Å; L146-T150 PolarHBondContact O-N 3.27Å; L146-T150 PolarHBondContact O-OG1 2.98Å; L146-L153 HydrophobicContact CD1-CD1 3.54Å; L146-V180 HydrophobicContact CD2-CG2 3.34Å
147	L	87.2	Confident	88.9	Confident	64 Å²	64	31.8 Å²	31.8	34%	0.335	16%	0.158	S	C	.	.	H	α-helix	trans	-59.7	-35.4	179.2	-88.8	178.6	0	0	0	113.2	M145 T150 K175 W176 L179	M145-L147 VanDerWaalsContact C-N 3.27Å; M145-L147 PolarHBondContact O-N 2.85Å; L147-T150 WeakPolarHBondContact CA-OG1 3.18Å; L147-T150 PolarHBondContact O-OG1 3.24Å; L147-K175 HydrophobicContact CD2-CB 4.14Å; L147-W176 HydrophobicContact CB-CE3 4.22Å; L147-W176 HydrophobicContact CB-CH2 4.13Å; L147-W176 HydrophobicContact CB-CZ3 3.55Å; L147-W176 HydrophobicContact CD1-CD2 3.9Å; L147-W176 HydrophobicContact CD1-CE3 3.58Å; L147-W176 HydrophobicContact CD1-CH2 3.08Å; L147-W176 HydrophobicContact CD1-CZ2 3.46Å; L147-W176 VanDerWaalsContact CD1-CZ2 3.46Å; L147-W176 HydrophobicContact CD1-CZ3 3.11Å; L147-W176 HydrophobicContact CD2-CE3 4.45Å; L147-W176 HydrophobicContact CD2-CZ3 4.49Å; L147-W176 HydrophobicContact CG-CD2 4.1Å; L147-W176 HydrophobicContact CG-CE3 3.39Å; L147-W176 HydrophobicContact CG-CH2 3.7Å; L147-W176 HydrophobicContact CG-CZ2 4.37Å; L147-W176 HydrophobicContact CG-CZ3 3.11Å; L147-L179 HydrophobicContact CD2-CD1 3.24Å; L147-L179 HydrophobicContact CG-CD1 4.29Å
148	R	86.8	Confident	88.9	Confident	165 Å²	165	31.7 Å²	31.7	62%	0.623	16%	0.157	S	C	*	.	H	α-helix	trans	-77.5	-25.7	-177.3	-64.1	-179.8	178.1	173	-2.5	112.4	D117 M145 L146	D117-R148 IonicContact OD2-NH1 3.11Å; D117-R148 PolarHBondContact OD2-NH1 3.41Å; M145-R148 HydrophobicContact CE-CB 4.39Å; M145-R148 PolarHBondContact O-N 3.38Å; M145-R148 HydrophobicContact SD-CB 4.28Å; L146-R148 VanDerWaalsContact C-N 3.25Å; L146-R148 PolarHBondContact O-N 3.21Å
149	V	86.5	Confident	88.8	Confident	5 Å²	5	31.7 Å²	31.7	3%	0.03	16%	0.157	C	C	.	.	H	α-helix	trans	-121.6	17.5	-170.8	-167.5	0	0	0	0	111.7	L115 I129 M145 L146 D151 K152 L153	L115-V149 HydrophobicContact CD2-CG1 4.29Å; I129-V149 HydrophobicContact CD1-CG1 3.59Å; M145-V149 HydrophobicContact CE-CG2 3.41Å; M145-V149 VanDerWaalsContact CE-CG2 3.41Å; M145-V149 HydrophobicContact CG-CG2 4.46Å; M145-V149 PolarHBondContact O-N 2.75Å; M145-V149 HydrophobicContact SD-CG2 4.49Å; L146-V149 CarbonylContact O-C 3.53Å; L146-V149 PolarHBondContact O-N 2.94Å; V149-D151 PolarHBondContact O-N 3.2Å; V149-K152 HydrophobicContact CG1-CB 3.8Å; V149-K152 HydrophobicContact CG1-CD 4.03Å; V149-K152 HydrophobicContact CG1-CG 4.17Å; V149-K152 PolarHBondContact O-N 3.21Å; V149-K152 VanDerWaalsContact O-N 3.14Å; V149-L153 HydrophobicContact CB-CD1 4.42Å; V149-L153 HydrophobicContact CG1-CG 4.33Å; V149-L153 PolarHBondContact O-N 3.12Å
150	T	85.5	Confident	88.7	Confident	13 Å²	13	31.7 Å²	31.7	8%	0.08	16%	0.157	C	C	.	.	H	α-helix	trans	-56	-50.9	-174.8	-65.7	0	0	0	0	112	L146 L147 K152 L153 L154 L179	L146-T150 WeakPolarHBondContact O-CA 3.46Å; L146-T150 PolarHBondContact O-N 3.27Å; L146-T150 PolarHBondContact O-OG1 2.98Å; L147-T150 WeakPolarHBondContact CA-OG1 3.18Å; L147-T150 PolarHBondContact O-OG1 3.24Å; T150-K152 PolarHBondContact O-N 3.33Å; T150-K152 VanDerWaalsContact O-N 3.09Å; T150-L153 PolarHBondContact O-N 2.72Å; T150-L153 VanDerWaalsContact O-N 3.12Å; T150-L154 HydrophobicContact CG2-CD1 3.62Å; T150-L154 HydrophobicContact CG2-CG 4.12Å; T150-L154 WeakPolarHBondContact O-CG 3.43Å; T150-L154 PolarHBondContact O-N 3.46Å; T150-L179 HydrophobicContact CG2-CB 4.48Å; T150-L179 HydrophobicContact CG2-CD1 4.06Å; T150-L179 HydrophobicContact CG2-CD2 3.54Å; T150-L179 HydrophobicContact CG2-CG 4.21Å; T150-L179 WeakPolarHBondContact OG1-CD1 3.48Å
151	D	85.3	Confident	88.7	Confident	128 Å²	128	31.7 Å²	31.7	68%	0.684	16%	0.157	S	C	*	.	H	α-helix	trans	-62.7	-23.1	-176	-56	-41.1	0	0	0	112.8	V149 K155	V149-D151 PolarHBondContact O-N 3.2Å; D151-K155 WeakPolarHBondContact O-CE 3.3Å; D151-K155 WeakPolarHBondContact O-CG 3.34Å
152	K	86.5	Confident	88.8	Confident	74 Å²	74	31.7 Å²	31.7	32%	0.322	16%	0.157	S	C	.	.	H	α-helix	trans	-87.4	-37.6	178.8	-51.4	-169.3	179.1	-145	0	111.4	E126 I129 V149 T150 Y156	E126-K152 HydrophobicContact CB-CD 3.91Å; E126-K152 HydrophobicContact CG-CD 4.06Å; E126-K152 WeakPolarHBondContact OE2-CD 3.17Å; E126-K152 WeakPolarHBondContact OE2-CE 3.35Å; E126-K152 IonicContact OE2-NZ 2.98Å; E126-K152 PolarHBondContact OE2-NZ 2.85Å; I129-K152 HydrophobicContact CD1-CB 4.21Å; V149-K152 HydrophobicContact CG1-CB 3.8Å; V149-K152 HydrophobicContact CG1-CD 4.03Å; V149-K152 HydrophobicContact CG1-CG 4.17Å; V149-K152 PolarHBondContact O-N 3.21Å; V149-K152 VanDerWaalsContact O-N 3.14Å; T150-K152 PolarHBondContact O-N 3.33Å; T150-K152 VanDerWaalsContact O-N 3.09Å; K152-Y156 WeakPolarHBondContact O-CD2 3.17Å; K152-Y156 WeakPolarHBondContact O-CE2 3.08Å
153	L	88.1	Confident	88.9	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-74.2	-32.8	-179.9	-72.3	168.2	0	0	0	112.9	L115 I129 L139 L146 V149 T150 K155 Y156 W158	L115-L153 HydrophobicContact CD2-CD1 4.44Å; L115-L153 HydrophobicContact CD2-CD2 4.46Å; I129-L153 HydrophobicContact CD1-CD2 3.76Å; I129-L153 HydrophobicContact CD1-CG 4.12Å; I129-L153 HydrophobicContact CG1-CD2 4.11Å; I129-L153 HydrophobicContact CG2-CD2 4.29Å; L139-L153 HydrophobicContact CD2-CD2 3.87Å; L146-L153 HydrophobicContact CD1-CD1 3.54Å; V149-L153 HydrophobicContact CB-CD1 4.42Å; V149-L153 HydrophobicContact CG1-CG 4.33Å; V149-L153 PolarHBondContact O-N 3.12Å; T150-L153 PolarHBondContact O-N 2.72Å; T150-L153 VanDerWaalsContact O-N 3.12Å; L153-K155 VanDerWaalsContact C-N 3.26Å; L153-K155 PolarHBondContact O-N 3.3Å; L153-Y156 PolarHBondContact O-N 3.06Å; L153-W158 HydrophobicContact CD2-CH2 4.39Å; L153-W158 HydrophobicContact CD2-CZ2 3.62Å; L153-W158 PolarHBondContact O-NE1 2.9Å
154	L	87.3	Confident	89.1	Confident	41 Å²	41	31 Å²	31	22%	0.215	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-18.2	179.9	-71	176.6	0	0	0	114.1	T150 Y156 K182 L183	T150-L154 HydrophobicContact CG2-CD1 3.62Å; T150-L154 HydrophobicContact CG2-CG 4.12Å; T150-L154 WeakPolarHBondContact O-CG 3.43Å; T150-L154 PolarHBondContact O-N 3.46Å; L154-Y156 VanDerWaalsContact C-N 3.3Å; L154-K182 HydrophobicContact CD2-CB 3.79Å; L154-K182 WeakPolarHBondContact CD2-O 3.47Å; L154-L183 HydrophobicContact CD2-CD2 4.13Å
155	K	86.7	Confident	89	Confident	97 Å²	97	30.2 Å²	30.2	42%	0.422	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-22.4	178.5	-68.4	177.2	-176.5	-173.7	0	113.4	D151 L153 G729	D151-K155 WeakPolarHBondContact O-CE 3.3Å; D151-K155 WeakPolarHBondContact O-CG 3.34Å; L153-K155 VanDerWaalsContact C-N 3.26Å; L153-K155 PolarHBondContact O-N 3.3Å; K155-G729 PolarHBondContact O-N 2.59Å
156	Y	87.6	Confident	88.8	Confident	5 Å²	5	30.1 Å²	30.1	2%	0.02	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-101.4	145.5	-176	-61.3	-80.4	0	0	0	110.8	I129 V133 K152 L153 L154 K728	I129-Y156 HydrophobicContact CG2-CD2 3.64Å; I129-Y156 HydrophobicContact CG2-CE2 3.57Å; I129-Y156 HydrophobicContact CG2-CG 4.46Å; V133-Y156 HydrophobicContact CB-CD1 4.22Å; V133-Y156 HydrophobicContact CG1-CD1 3.85Å; V133-Y156 HydrophobicContact CG1-CE1 4.45Å; V133-Y156 HydrophobicContact CG2-CD1 4.04Å; V133-Y156 HydrophobicContact CG2-CG 4.03Å; K152-Y156 WeakPolarHBondContact O-CD2 3.17Å; K152-Y156 WeakPolarHBondContact O-CE2 3.08Å; L153-Y156 PolarHBondContact O-N 3.06Å; L154-Y156 VanDerWaalsContact C-N 3.3Å; Y156-K728 HydrophobicContact CD1-CG 4.16Å; Y156-K728 HydrophobicContact CE1-CG 3.76Å
157	N	87.9	Confident	88.5	Confident	12 Å²	12	31.2 Å²	31.2	6%	0.064	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-86.8	121.4	171.5	-66.7	-25.5	0	0	0	108.3	R184 F725	N157-R184 VanDerWaalsContact OD1-CD 3.26Å; N157-R184 WeakPolarHBondContact OD1-CD 3.23Å; N157-F725 HydrophobicContact CB-CD1 4.38Å
158	W	90.7	Very high	88.3	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-94.5	137.3	177.5	-64.3	90.9	0	0	0	109	P86 L88 I129 V133 L139 L153 V161 R184 T185	P86-W158 HydrophobicContact CB-CE3 3.97Å; P86-W158 HydrophobicContact CB-CZ3 4.04Å; L88-W158 HydrophobicContact CB-CD2 3.71Å; L88-W158 HydrophobicContact CB-CE3 3.54Å; L88-W158 HydrophobicContact CB-CG 4.26Å; L88-W158 HydrophobicContact CB-CH2 4.38Å; L88-W158 HydrophobicContact CB-CZ3 3.88Å; L88-W158 HydrophobicContact CD1-CH2 4.37Å; L88-W158 HydrophobicContact CD1-CZ2 4.47Å; L88-W158 HydrophobicContact CD2-CD2 4.33Å; I129-W158 HydrophobicContact CG2-CZ2 4.4Å; V133-W158 HydrophobicContact CG2-CH2 4.02Å; V133-W158 HydrophobicContact CG2-CZ2 4.38Å; V133-W158 HydrophobicContact CG2-CZ3 4.37Å; L139-W158 HydrophobicContact CB-CH2 3.96Å; L139-W158 HydrophobicContact CB-CZ3 4.09Å; L139-W158 HydrophobicContact CD2-CH2 3.6Å; L139-W158 HydrophobicContact CD2-CZ2 4.2Å; L139-W158 HydrophobicContact CG-CH2 4.44Å; L153-W158 HydrophobicContact CD2-CH2 4.39Å; L153-W158 HydrophobicContact CD2-CZ2 3.62Å; L153-W158 PolarHBondContact O-NE1 2.9Å; W158-V161 HydrophobicContact CB-CG2 3.89Å; W158-V161 HydrophobicContact CG-CG2 4.37Å; W158-R184 PolarHBondContact N-O 3.27Å; W158-T185 WeakPolarHBondContact O-CA 3.3Å
159	H	90.2	Very high	88.2	Confident	1 Å²	1	24 Å²	24	1%	0.005	12%	0.118	C	C	.	.	S	Bend	trans	-72.4	-53.9	174.8	-177.2	-149.1	0	0	0	109.8	Y49 G85 P86 T185 Y187 F725	Y49-H159 AromaticContact CE2-CE1 3.89Å; Y49-H159 AromaticContact CE2-NE2 3.64Å; Y49-H159 AromaticContact CZ-CE1 3.91Å; Y49-H159 AromaticContact CZ-NE2 3.74Å; Y49-H159 PolarHBondContact OH-CE1 2.91Å; Y49-H159 PolarHBondContact OH-NE2 3.05Å; G85-H159 PolarHBondContact N-ND1 2.96Å; G85-H159 VanDerWaalsContact N-ND1 3.14Å; P86-H159 WeakPolarHBondContact O-CB 3.46Å; P86-H159 PolarHBondContact O-N 2.85Å; H159-T185 PolarHBondContact O-OG1 3.28Å; H159-Y187 AromaticContact CD2-CD2 3.73Å; H159-Y187 AromaticContact CD2-CE2 3.79Å; H159-Y187 AromaticContact NE2-CD2 3.79Å; H159-Y187 AromaticContact NE2-CE2 3.54Å; H159-Y187 VanDerWaalsContact O-CD2 3.29Å; H159-Y187 WeakPolarHBondContact O-CD2 3.18Å; H159-F725 HydrophobicContact CB-CD1 4.09Å; H159-F725 HydrophobicContact CB-CD2 4.12Å; H159-F725 HydrophobicContact CB-CE1 4.21Å; H159-F725 HydrophobicContact CB-CE2 4.24Å; H159-F725 HydrophobicContact CB-CG 4.04Å; H159-F725 HydrophobicContact CB-CZ 4.28Å; H159-F725 AromaticContact CD2-CE2 3.33Å; H159-F725 WeakPolarHBondContact CD2-CE2 3.14Å; H159-F725 AromaticContact CD2-CZ 3.35Å; H159-F725 WeakPolarHBondContact CD2-CZ 3.49Å; H159-F725 AromaticContact CG-CE2 3.88Å; H159-F725 AromaticContact NE2-CE2 3.95Å
160	I	93.2	Very high	88.1	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135	-179	-58.6	174.1	0	0	0	109.2	Y49 F72 L73 V76 L84 V87 L88 V162 Y187 Y189	Y49-I160 HydrophobicContact CE2-CD1 4.27Å; F72-I160 HydrophobicContact CE1-CD1 3.96Å; F72-I160 HydrophobicContact CE1-CG2 4.48Å; F72-I160 HydrophobicContact CZ-CD1 4.14Å; L73-I160 HydrophobicContact CD2-CD1 3.8Å; L73-I160 HydrophobicContact CD2-CG2 4.44Å; V76-I160 HydrophobicContact CG1-CD1 4.46Å; L84-I160 HydrophobicContact CD1-CD1 3.97Å; V87-I160 WeakPolarHBondContact CA-O 3.34Å; V87-I160 HydrophobicContact CG1-CB 4.26Å; V87-I160 HydrophobicContact CG2-CB 4.32Å; L88-I160 PolarHBondContact N-O 3.25Å; I160-V162 HydrophobicContact CG2-CG2 4Å; I160-Y187 HydrophobicContact CG1-CD2 4.29Å; I160-Y187 HydrophobicContact CG1-CG 4.47Å; I160-Y189 HydrophobicContact CG2-CD2 3.72Å; I160-Y189 HydrophobicContact CG2-CE2 3.89Å
161	V	94.7	Very high	88.1	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.8	169.9	179	0	0	0	0	109.3	L88 W158 L163 L183 T185 Y187 Y189 F209	L88-V161 HydrophobicContact CB-CG2 4.23Å; L88-V161 HydrophobicContact CD2-CG2 4.46Å; L88-V161 CarbonylContact O-C 3.59Å; L88-V161 VanDerWaalsContact O-CA 3.32Å; L88-V161 WeakPolarHBondContact O-CA 3.1Å; W158-V161 HydrophobicContact CB-CG2 3.89Å; W158-V161 HydrophobicContact CG-CG2 4.37Å; V161-L163 HydrophobicContact CG1-CD2 4.07Å; V161-L183 HydrophobicContact CG1-CD1 4.11Å; V161-T185 HydrophobicContact CB-CG2 3.84Å; V161-T185 HydrophobicContact CG2-CG2 3.38Å; V161-Y187 PolarHBondContact N-O 3.14Å; V161-Y189 PolarHBondContact O-N 3.05Å; V161-F209 HydrophobicContact CG1-CZ 4.2Å
162	V	95.7	Very high	88	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.7	176.2	-174.1	0	0	0	0	109.2	I69 L88 I89 L90 I160 Y189 V191	I69-V162 HydrophobicContact CD1-CG1 4.37Å; I69-V162 HydrophobicContact CG1-CG1 4.47Å; I69-V162 HydrophobicContact CG2-CG1 4.29Å; I69-V162 HydrophobicContact CG2-CG2 4.1Å; L88-V162 PolarHBondContact O-N 3.08Å; I89-V162 WeakPolarHBondContact CA-O 3.28Å; I89-V162 HydrophobicContact CG1-CB 4.25Å; L90-V162 PolarHBondContact N-O 2.84Å; I160-V162 HydrophobicContact CG2-CG2 4Å; V162-Y189 CarbonylContact C-O 3.42Å; V162-Y189 WeakPolarHBondContact CA-O 3.49Å; V162-V191 HydrophobicContact CG1-CG2 3.7Å
163	L	94.3	Very high	88	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	101.4	172.1	-55.2	-172	0	0	0	109.3	L90 V161 I169 V180 Y189 I190 V191 F209	L90-L163 HydrophobicContact CB-CD2 3.7Å; L90-L163 HydrophobicContact CD1-CD2 3.35Å; L90-L163 HydrophobicContact CG-CD2 4.07Å; V161-L163 HydrophobicContact CG1-CD2 4.07Å; L163-I169 HydrophobicContact CD1-CD1 3.65Å; L163-I169 HydrophobicContact CD1-CG1 4.2Å; L163-I169 HydrophobicContact CD1-CG2 4.49Å; L163-V180 HydrophobicContact CD1-CG1 3.59Å; L163-V180 HydrophobicContact CD2-CG1 3.79Å; L163-V180 HydrophobicContact CG-CG1 4.27Å; L163-Y189 PolarHBondContact N-O 2.81Å; L163-I190 HydrophobicContact CB-CG1 4.26Å; L163-I190 HydrophobicContact CD1-CG1 4.23Å; L163-V191 PolarHBondContact O-N 3.43Å; L163-F209 HydrophobicContact CD1-CD1 3.65Å; L163-F209 HydrophobicContact CD1-CD2 4.25Å; L163-F209 HydrophobicContact CD1-CE1 3.35Å; L163-F209 HydrophobicContact CD1-CE2 4.02Å; L163-F209 HydrophobicContact CD1-CG 4.08Å; L163-F209 HydrophobicContact CD1-CZ 3.55Å; L163-F209 HydrophobicContact CD2-CZ 4.16Å; L163-F209 HydrophobicContact CG-CD1 4.35Å; L163-F209 HydrophobicContact CG-CE1 3.58Å; L163-F209 HydrophobicContact CG-CZ 3.67Å
164	D	92	Very high	88	Confident	7 Å²	7	28 Å²	28	4%	0.037	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	143.4	168.7	-170.2	23.9	0	0	0	110.7	L90 C91 L95 W99 Y143 G166	L90-D164 PolarHBondContact O-N 3.28Å; C91-D164 HydrophobicContact CB-CB 3.65Å; L95-D164 VanDerWaalsContact CD1-OD2 3.26Å; L95-D164 WeakPolarHBondContact CD1-OD2 3.41Å; W99-D164 HydrophobicContact CZ2-CB 3.98Å; W99-D164 PolarHBondContact NE1-OD2 3.33Å; Y143-D164 VanDerWaalsContact CE2-O 3.31Å; Y143-D164 WeakPolarHBondContact CE2-O 3.46Å; Y143-D164 PolarHBondContact OH-O 3.32Å; D164-G166 PolarHBondContact O-N 2.81Å
165	E	86.7	Confident	87.9	Confident	19 Å²	19	33.5 Å²	33.5	9%	0.089	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.3	46.2	-164.1	-64.9	-62.6	175.3	0	0	112.9	P92 L95 H167 L168 V191	P92-E165 HydrophobicContact CG-CB 3.76Å; P92-E165 HydrophobicContact CG-CG 3.85Å; L95-E165 HydrophobicContact CD1-CG 4.29Å; E165-H167 PolarHBondContact O-N 2.85Å; E165-H167 IonicContact OE2-CE1 2.74Å; E165-H167 PolarHBondContact OE2-CE1 3.04Å; E165-H167 IonicContact OE2-ND1 3.77Å; E165-H167 PolarHBondContact OE2-ND1 2.73Å; E165-L168 HydrophobicContact CB-CD1 4.44Å; E165-L168 WeakPolarHBondContact O-CG 3.34Å; E165-L168 PolarHBondContact O-N 3.02Å; E165-V191 WeakPolarHBondContact CA-O 3.34Å; E165-V191 PolarHBondContact N-O 3.15Å
166	G	83.7	Confident	87.8	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-61.1	-8	-174.5	0	0	0	0	0	115.1	D164 L168 I169 V191 L206	D164-G166 PolarHBondContact O-N 2.81Å; G166-L168 PolarHBondContact O-N 3.14Å; G166-I169 WeakPolarHBondContact O-CG1 3.27Å; G166-I169 PolarHBondContact O-N 2.94Å; G166-V191 PolarHBondContact N-O 3.13Å; G166-L206 WeakPolarHBondContact O-CD2 3.46Å
167	H	81.7	Confident	87.8	Confident	24 Å²	24	32.8 Å²	32.8	11%	0.111	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-56.2	-16.2	166.8	73.6	-99.7	0	0	0	113.1	E165 I169 R170 S192 Q197	E165-H167 PolarHBondContact O-N 2.85Å; E165-H167 IonicContact OE2-CE1 2.74Å; E165-H167 PolarHBondContact OE2-CE1 3.04Å; E165-H167 IonicContact OE2-ND1 3.77Å; E165-H167 PolarHBondContact OE2-ND1 2.73Å; H167-I169 VanDerWaalsContact C-N 3.25Å; H167-I169 PolarHBondContact O-N 3.38Å; H167-R170 WeakPolarHBondContact O-CB 3.35Å; H167-R170 WeakPolarHBondContact O-CD 2.85Å; H167-R170 WeakPolarHBondContact O-CG 3.03Å; H167-R170 PolarHBondContact O-N 3.02Å; H167-S192 PolarHBondContact ND1-OG 2.98Å; H167-Q197 PolarHBondContact CD2-NE2 2.88Å; H167-Q197 VanDerWaalsContact CG-NE2 3.29Å
168	L	82.8	Confident	87.9	Confident	78 Å²	78	36.5 Å²	36.5	41%	0.408	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-63.3	-25.7	172.7	-69.3	170.5	0	0	0	113.8	P92 Y143 E165 G166 R170	P92-L168 HydrophobicContact CG-CD1 4.23Å; Y143-L168 HydrophobicContact CD2-CD1 3.53Å; Y143-L168 HydrophobicContact CE2-CD1 3.46Å; Y143-L168 VanDerWaalsContact CE2-CD1 3.46Å; Y143-L168 HydrophobicContact CG-CD1 4.2Å; E165-L168 HydrophobicContact CB-CD1 4.44Å; E165-L168 WeakPolarHBondContact O-CG 3.34Å; E165-L168 PolarHBondContact O-N 3.02Å; G166-L168 PolarHBondContact O-N 3.14Å; L168-R170 VanDerWaalsContact C-N 3.26Å; L168-R170 PolarHBondContact O-N 3.43Å
169	I	84.8	Confident	87.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-90.1	20.3	175.5	61.8	151.8	0	0	0	113.2	Y143 L163 G166 H167 N171 T177 I190 S205 L206 F209	Y143-I169 HydrophobicContact CE1-CG2 4.34Å; L163-I169 HydrophobicContact CD1-CD1 3.65Å; L163-I169 HydrophobicContact CD1-CG1 4.2Å; L163-I169 HydrophobicContact CD1-CG2 4.49Å; G166-I169 WeakPolarHBondContact O-CG1 3.27Å; G166-I169 PolarHBondContact O-N 2.94Å; H167-I169 VanDerWaalsContact C-N 3.25Å; H167-I169 PolarHBondContact O-N 3.38Å; I169-N171 VanDerWaalsContact C-N 3.29Å; I169-N171 PolarHBondContact O-N 3.32Å; I169-T177 WeakPolarHBondContact CA-OG1 3.29Å; I169-T177 HydrophobicContact CB-CG2 4.11Å; I169-T177 PolarHBondContact O-OG1 3.03Å; I169-I190 HydrophobicContact CD1-CD1 4.1Å; I169-S205 WeakPolarHBondContact O-CB 3.5Å; I169-S205 PolarHBondContact O-OG 3.25Å; I169-L206 HydrophobicContact CD1-CD2 4.05Å; I169-L206 HydrophobicContact CG1-CD2 3.71Å; I169-F209 HydrophobicContact CD1-CB 3.73Å; I169-F209 HydrophobicContact CD1-CD1 4.34Å; I169-F209 HydrophobicContact CD1-CG 3.96Å
170	R	84.8	Confident	87.7	Confident	97 Å²	97	37.8 Å²	37.8	37%	0.366	18%	0.182	S	C	.	.			trans	-60.4	-32.4	-179.5	64.9	-175.7	-178.9	176.4	3.7	114.3	H167 L168 P172 E202 S205	H167-R170 WeakPolarHBondContact O-CB 3.35Å; H167-R170 WeakPolarHBondContact O-CD 2.85Å; H167-R170 WeakPolarHBondContact O-CG 3.03Å; H167-R170 PolarHBondContact O-N 3.02Å; L168-R170 VanDerWaalsContact C-N 3.26Å; L168-R170 PolarHBondContact O-N 3.43Å; R170-P172 WeakPolarHBondContact O-CD 3.17Å; R170-E202 HydrophobicContact CB-CB 3.87Å; R170-E202 HydrophobicContact CB-CG 3.74Å; R170-E202 HydrophobicContact CG-CG 4.43Å; R170-E202 WeakPolarHBondContact O-CA 3.24Å; R170-S205 WeakPolarHBondContact O-CB 3.44Å
171	N	85.4	Confident	87.5	Confident	74 Å²	74	39.7 Å²	39.7	40%	0.396	19%	0.19	S	C	.	.	S	Bend	trans	-87.3	114.8	175.7	-179.1	0	0	0	0	109	I169 D173 A174 T177	I169-N171 VanDerWaalsContact C-N 3.29Å; I169-N171 PolarHBondContact O-N 3.32Å; N171-D173 PolarHBondContact O-N 3.37Å; N171-D173 PolarHBondContact OD1-N 3.16Å; N171-A174 HydrophobicContact CB-CB 3.98Å; N171-A174 WeakPolarHBondContact O-CB 2.98Å; N171-A174 PolarHBondContact O-N 3.47Å; N171-T177 VanDerWaalsContact O-CB 3.31Å; N171-T177 WeakPolarHBondContact O-CB 3.38Å; N171-T177 PolarHBondContact O-OG1 3.39Å
172	P	83.9	Confident	87.2	Confident	9 Å²	9	46 Å²	46	6%	0.058	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.2	-179.9	27.7	-35.6	0	0	0	113.2	R170 R201 W204 L218	R170-P172 WeakPolarHBondContact O-CD 3.17Å; P172-R201 HydrophobicContact CG-CG 4.27Å; P172-W204 HydrophobicContact CB-CE3 4.28Å; P172-W204 HydrophobicContact CB-CZ3 3.79Å; P172-L218 HydrophobicContact CG-CD2 3.96Å
173	D	86.1	Confident	86.8	Confident	103 Å²	103	46.2 Å²	46.2	55%	0.551	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-7.3	-177.9	-50.1	-25.9	0	0	0	112	N171 R201	N171-D173 PolarHBondContact O-N 3.37Å; N171-D173 PolarHBondContact OD1-N 3.16Å; D173-R201 VanDerWaalsContact CG-NH2 3.33Å; D173-R201 IonicContact OD1-NH2 2.67Å; D173-R201 PolarHBondContact OD1-NH2 2.85Å; D173-R201 IonicContact OD2-CZ 3.15Å; D173-R201 IonicContact OD2-NH2 2.76Å; D173-R201 PolarHBondContact OD2-NH2 2.67Å
174	A	86.9	Confident	86.5	Confident	21 Å²	21	50.2 Å²	50.2	17%	0.174	23%	0.234	C	C	.	.	S	Bend	trans	-66.2	139.9	-179.6	0	0	0	0	0	111	N171 W176 T177 L178	N171-A174 HydrophobicContact CB-CB 3.98Å; N171-A174 WeakPolarHBondContact O-CB 2.98Å; N171-A174 PolarHBondContact O-N 3.47Å; A174-W176 VanDerWaalsContact C-N 3.26Å; A174-W176 PolarHBondContact O-N 3.44Å; A174-T177 WeakPolarHBondContact O-CB 3.32Å; A174-T177 PolarHBondContact O-N 3.37Å; A174-L178 PolarHBondContact O-N 3.4Å; A174-L178 VanDerWaalsContact O-N 3.08Å
175	K	86.5	Confident	86.3	Confident	157 Å²	157	49.9 Å²	49.9	68%	0.683	23%	0.232	S	C	*	.	H	α-helix	trans	-51.8	-45	179.1	-65.5	-176.5	179	-179.3	0	111.8	L147 T177 L178 L179	L147-K175 HydrophobicContact CD2-CB 4.14Å; K175-T177 PolarHBondContact O-N 3.46Å; K175-L178 PolarHBondContact O-N 3.27Å; K175-L179 VanDerWaalsContact O-CG 3.23Å; K175-L179 WeakPolarHBondContact O-CG 3.18Å; K175-L179 PolarHBondContact O-N 3.16Å; K175-L179 VanDerWaalsContact O-N 3.14Å
176	W	85.1	Confident	86.1	Confident	86 Å²	86	49.7 Å²	49.7	33%	0.326	23%	0.232	S	C	.	.	H	α-helix	trans	-57.4	-50.1	176.6	-39.6	99.5	0	0	0	111.8	Y143 G144 L147 A174 L178 L179 V180	Y143-W176 WeakPolarHBondContact O-CZ3 3.48Å; G144-W176 VanDerWaalsContact CA-CH2 3.43Å; L147-W176 HydrophobicContact CB-CE3 4.22Å; L147-W176 HydrophobicContact CB-CH2 4.13Å; L147-W176 HydrophobicContact CB-CZ3 3.55Å; L147-W176 HydrophobicContact CD1-CD2 3.9Å; L147-W176 HydrophobicContact CD1-CE3 3.58Å; L147-W176 HydrophobicContact CD1-CH2 3.08Å; L147-W176 HydrophobicContact CD1-CZ2 3.46Å; L147-W176 VanDerWaalsContact CD1-CZ2 3.46Å; L147-W176 HydrophobicContact CD1-CZ3 3.11Å; L147-W176 HydrophobicContact CD2-CE3 4.45Å; L147-W176 HydrophobicContact CD2-CZ3 4.49Å; L147-W176 HydrophobicContact CG-CD2 4.1Å; L147-W176 HydrophobicContact CG-CE3 3.39Å; L147-W176 HydrophobicContact CG-CH2 3.7Å; L147-W176 HydrophobicContact CG-CZ2 4.37Å; L147-W176 HydrophobicContact CG-CZ3 3.11Å; A174-W176 VanDerWaalsContact C-N 3.26Å; A174-W176 PolarHBondContact O-N 3.44Å; W176-L178 VanDerWaalsContact C-N 3.34Å; W176-L178 PolarHBondContact O-N 3.31Å; W176-L179 PolarHBondContact O-N 3.46Å; W176-L179 VanDerWaalsContact O-N 3.12Å; W176-V180 WeakPolarHBondContact O-CB 3.07Å; W176-V180 VanDerWaalsContact O-CG2 3.25Å; W176-V180 WeakPolarHBondContact O-CG2 3.36Å; W176-V180 PolarHBondContact O-N 3.21Å
177	T	87.3	Confident	86.4	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-58.3	-45.6	-178.5	-52.1	0	0	0	0	111.8	I169 N171 A174 K175 L179 K181	I169-T177 WeakPolarHBondContact CA-OG1 3.29Å; I169-T177 HydrophobicContact CB-CG2 4.11Å; I169-T177 PolarHBondContact O-OG1 3.03Å; N171-T177 VanDerWaalsContact O-CB 3.31Å; N171-T177 WeakPolarHBondContact O-CB 3.38Å; N171-T177 PolarHBondContact O-OG1 3.39Å; A174-T177 WeakPolarHBondContact O-CB 3.32Å; A174-T177 PolarHBondContact O-N 3.37Å; K175-T177 PolarHBondContact O-N 3.46Å; T177-L179 VanDerWaalsContact C-N 3.29Å; T177-L179 PolarHBondContact O-N 3.39Å; T177-K181 HydrophobicContact CG2-CD 4.09Å; T177-K181 WeakPolarHBondContact O-CB 3.12Å; T177-K181 VanDerWaalsContact O-CG 3.24Å; T177-K181 WeakPolarHBondContact O-CG 3.28Å; T177-K181 PolarHBondContact O-N 3.18Å
178	L	88.2	Confident	87	Confident	90 Å²	90	49 Å²	49	47%	0.471	23%	0.229	S	C	.	.	H	α-helix	trans	-63.4	-35.4	178.5	-65.6	175.1	0	0	0	112.4	A174 K175 W176 K182	A174-L178 PolarHBondContact O-N 3.4Å; A174-L178 VanDerWaalsContact O-N 3.08Å; K175-L178 PolarHBondContact O-N 3.27Å; W176-L178 VanDerWaalsContact C-N 3.34Å; W176-L178 PolarHBondContact O-N 3.31Å; L178-K182 WeakPolarHBondContact O-CG 3.04Å
179	L	87.8	Confident	87.6	Confident	28 Å²	28	45.3 Å²	45.3	15%	0.147	21%	0.209	C	C	.	.	H	α-helix	trans	-78.1	-43.2	180	-67.5	176	0	0	0	112.6	L147 T150 K175 W176 T177 K181 K182 L183	L147-L179 HydrophobicContact CD2-CD1 3.24Å; L147-L179 HydrophobicContact CG-CD1 4.29Å; T150-L179 HydrophobicContact CG2-CB 4.48Å; T150-L179 HydrophobicContact CG2-CD1 4.06Å; T150-L179 HydrophobicContact CG2-CD2 3.54Å; T150-L179 HydrophobicContact CG2-CG 4.21Å; T150-L179 WeakPolarHBondContact OG1-CD1 3.48Å; K175-L179 VanDerWaalsContact O-CG 3.23Å; K175-L179 WeakPolarHBondContact O-CG 3.18Å; K175-L179 PolarHBondContact O-N 3.16Å; K175-L179 VanDerWaalsContact O-N 3.14Å; W176-L179 PolarHBondContact O-N 3.46Å; W176-L179 VanDerWaalsContact O-N 3.12Å; T177-L179 VanDerWaalsContact C-N 3.29Å; T177-L179 PolarHBondContact O-N 3.39Å; L179-K181 VanDerWaalsContact C-N 3.26Å; L179-K181 PolarHBondContact O-N 3.17Å; L179-K182 HydrophobicContact CD2-CD 4.44Å; L179-K182 WeakPolarHBondContact O-CB 3.36Å; L179-K182 PolarHBondContact O-N 3.13Å; L179-L183 PolarHBondContact O-N 3.4Å
180	V	89.7	Confident	88	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.1	-39.7	176	169.8	0	0	0	0	110.7	L90 L146 L163 W176 K182 L183 F209	L90-V180 HydrophobicContact CD1-CG2 3.92Å; L146-V180 HydrophobicContact CD2-CG2 3.34Å; L163-V180 HydrophobicContact CD1-CG1 3.59Å; L163-V180 HydrophobicContact CD2-CG1 3.79Å; L163-V180 HydrophobicContact CG-CG1 4.27Å; W176-V180 WeakPolarHBondContact O-CB 3.07Å; W176-V180 VanDerWaalsContact O-CG2 3.25Å; W176-V180 WeakPolarHBondContact O-CG2 3.36Å; W176-V180 PolarHBondContact O-N 3.21Å; V180-K182 PolarHBondContact O-N 2.89Å; V180-L183 HydrophobicContact CG1-CD1 4.42Å; V180-L183 WeakPolarHBondContact O-CB 3.45Å; V180-L183 WeakPolarHBondContact O-CG 3.14Å; V180-L183 PolarHBondContact O-N 2.84Å; V180-F209 HydrophobicContact CG1-CD2 3.68Å; V180-F209 HydrophobicContact CG1-CE2 3.31Å; V180-F209 HydrophobicContact CG1-CZ 3.97Å
181	K	88.6	Confident	88.3	Confident	39 Å²	39	40.8 Å²	40.8	17%	0.17	19%	0.192	C	C	.	.	H	α-helix	trans	-65.7	-23.6	175.8	-73.8	178	179.6	-172.8	0	113.9	T177 L179 R188 D208 F209	T177-K181 HydrophobicContact CG2-CD 4.09Å; T177-K181 WeakPolarHBondContact O-CB 3.12Å; T177-K181 VanDerWaalsContact O-CG 3.24Å; T177-K181 WeakPolarHBondContact O-CG 3.28Å; T177-K181 PolarHBondContact O-N 3.18Å; L179-K181 VanDerWaalsContact C-N 3.26Å; L179-K181 PolarHBondContact O-N 3.17Å; K181-R188 PolarHBondContact O-NH2 3.47Å; K181-R188 VanDerWaalsContact O-NH2 3.16Å; K181-D208 VanDerWaalsContact CE-OD2 3.3Å; K181-D208 WeakPolarHBondContact CE-OD2 3.29Å; K181-D208 IonicContact NZ-OD2 3.62Å; K181-D208 PolarHBondContact NZ-OD2 3.49Å; K181-F209 HydrophobicContact CG-CD2 4.31Å
182	K	88.2	Confident	88.4	Confident	134 Å²	134	37.2 Å²	37.2	58%	0.583	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-11.4	176.1	-71.9	173.8	-177.7	-175.1	0	113.7	L154 L178 L179 V180 R184	L154-K182 HydrophobicContact CD2-CB 3.79Å; L154-K182 WeakPolarHBondContact CD2-O 3.47Å; L178-K182 WeakPolarHBondContact O-CG 3.04Å; L179-K182 HydrophobicContact CD2-CD 4.44Å; L179-K182 WeakPolarHBondContact O-CB 3.36Å; L179-K182 PolarHBondContact O-N 3.13Å; V180-K182 PolarHBondContact O-N 2.89Å; K182-R184 PolarHBondContact O-N 3.48Å
183	L	89	Confident	88.1	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.016	18%	0.176	C	C	.	.	S	Bend	trans	-60.5	129.9	177.5	-67.9	168.1	0	0	0	110.3	L88 L90 L154 V161 L179 V180 T185 R188	L88-L183 HydrophobicContact CD2-CD1 3.93Å; L88-L183 HydrophobicContact CD2-CD2 4.14Å; L90-L183 HydrophobicContact CD1-CD1 4.12Å; L154-L183 HydrophobicContact CD2-CD2 4.13Å; V161-L183 HydrophobicContact CG1-CD1 4.11Å; L179-L183 PolarHBondContact O-N 3.4Å; V180-L183 HydrophobicContact CG1-CD1 4.42Å; V180-L183 WeakPolarHBondContact O-CB 3.45Å; V180-L183 WeakPolarHBondContact O-CG 3.14Å; V180-L183 PolarHBondContact O-N 2.84Å; L183-T185 PolarHBondContact O-N 2.89Å; L183-T185 VanDerWaalsContact O-N 3.15Å; L183-R188 PolarHBondContact O-NH2 2.72Å
184	R	86.7	Confident	87.5	Confident	85 Å²	85	33 Å²	33	32%	0.321	15%	0.154	S	C	.	.			trans	-79.3	94.5	177.8	-66.7	-178.2	177.8	175.5	-1.4	109.1	N157 W158 K182 V703	N157-R184 VanDerWaalsContact OD1-CD 3.26Å; N157-R184 WeakPolarHBondContact OD1-CD 3.23Å; W158-R184 PolarHBondContact N-O 3.27Å; K182-R184 PolarHBondContact O-N 3.48Å; R184-V703 HydrophobicContact CB-CG2 4.47Å
185	T	87.9	Confident	86.5	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.147	C	C	.	.			trans	-150	136.5	176.3	174.1	0	0	0	0	110	W158 H159 V161 L183 Y187 R188	W158-T185 WeakPolarHBondContact O-CA 3.3Å; H159-T185 PolarHBondContact O-OG1 3.28Å; V161-T185 HydrophobicContact CB-CG2 3.84Å; V161-T185 HydrophobicContact CG2-CG2 3.38Å; L183-T185 PolarHBondContact O-N 2.89Å; L183-T185 VanDerWaalsContact O-N 3.15Å; T185-Y187 PolarHBondContact OG1-N 2.88Å; T185-Y187 PolarHBondContact OG1-O 3.3Å; T185-R188 HydrophobicContact CG2-CG 3.6Å; T185-R188 PolarHBondContact O-NE 3.04Å
186	P	83.2	Confident	85.4	Confident	14 Å²	14	25.3 Å²	25.3	9%	0.091	12%	0.117	C	C	.	.	S	Bend	trans	-77.8	-33.4	170	28.8	-25.4	0	0	0	111.6	V703 V705 F725	P186-V703 HydrophobicContact CG-CG1 4.14Å; P186-V705 HydrophobicContact CB-CG2 4.17Å; P186-F725 HydrophobicContact CG-CE1 4.36Å; P186-F725 HydrophobicContact CG-CZ 4.28Å
187	Y	90.4	Very high	84.4	Confident	1 Å²	1	21.4 Å²	21.4	0%	0.004	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	114	-174.6	-57.1	-71.6	0	0	0	111.5	Y49 A52 H159 I160 V161 T185	Y49-Y187 AromaticContact CD2-CD1 3.57Å; Y49-Y187 HydrophobicContact CD2-CD1 3.57Å; Y49-Y187 AromaticContact CD2-CD2 3.98Å; Y49-Y187 HydrophobicContact CD2-CD2 3.98Å; Y49-Y187 AromaticContact CD2-CE1 3.47Å; Y49-Y187 HydrophobicContact CD2-CE1 3.47Å; Y49-Y187 VanDerWaalsContact CD2-CE1 3.47Å; Y49-Y187 AromaticContact CD2-CE2 3.95Å; Y49-Y187 HydrophobicContact CD2-CE2 3.95Å; Y49-Y187 AromaticContact CD2-CG 3.84Å; Y49-Y187 HydrophobicContact CD2-CG 3.84Å; Y49-Y187 AromaticContact CD2-CZ 3.7Å; Y49-Y187 HydrophobicContact CE2-CD1 4.03Å; Y49-Y187 AromaticContact CE2-CD2 3.59Å; Y49-Y187 HydrophobicContact CE2-CD2 3.59Å; Y49-Y187 AromaticContact CE2-CE1 3.76Å; Y49-Y187 HydrophobicContact CE2-CE1 3.76Å; Y49-Y187 AromaticContact CE2-CE2 3.37Å; Y49-Y187 HydrophobicContact CE2-CE2 3.37Å; Y49-Y187 AromaticContact CE2-CG 3.96Å; Y49-Y187 HydrophobicContact CE2-CG 3.96Å; Y49-Y187 AromaticContact CE2-CZ 3.46Å; Y49-Y187 VanDerWaalsContact CE2-CZ 3.46Å; Y49-Y187 HydrophobicContact CG-CD1 4.38Å; Y49-Y187 HydrophobicContact CG-CE1 4.02Å; Y49-Y187 AromaticContact CZ-CE2 3.97Å; Y49-Y187 AromaticContact CZ-CZ 3.92Å; Y49-Y187 VanDerWaalsContact O-CE1 3.22Å; Y49-Y187 WeakPolarHBondContact O-CE1 3.46Å; A52-Y187 HydrophobicContact CB-CE1 4.42Å; H159-Y187 AromaticContact CD2-CD2 3.73Å; H159-Y187 AromaticContact CD2-CE2 3.79Å; H159-Y187 AromaticContact NE2-CD2 3.79Å; H159-Y187 AromaticContact NE2-CE2 3.54Å; H159-Y187 VanDerWaalsContact O-CD2 3.29Å; H159-Y187 WeakPolarHBondContact O-CD2 3.18Å; I160-Y187 HydrophobicContact CG1-CD2 4.29Å; I160-Y187 HydrophobicContact CG1-CG 4.47Å; V161-Y187 PolarHBondContact N-O 3.14Å; T185-Y187 PolarHBondContact OG1-N 2.88Å; T185-Y187 PolarHBondContact OG1-O 3.3Å
188	R	93	Very high	83.4	Confident	8 Å²	8	23.1 Å²	23.1	3%	0.03	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	112.2	-173.1	-64.5	179.7	179.6	-162.4	-14.2	110.3	G54 G55 K181 L183 T185 F209 P212 F696	G54-R188 CarbonylContact C-O 3.52Å; G54-R188 WeakPolarHBondContact CA-O 3.45Å; G55-R188 PolarHBondContact N-O 3.27Å; K181-R188 PolarHBondContact O-NH2 3.47Å; K181-R188 VanDerWaalsContact O-NH2 3.16Å; L183-R188 PolarHBondContact O-NH2 2.72Å; T185-R188 HydrophobicContact CG2-CG 3.6Å; T185-R188 PolarHBondContact O-NE 3.04Å; R188-F209 HydrophobicContact CB-CD1 4.31Å; R188-F209 HydrophobicContact CB-CE1 3.8Å; R188-F209 HydrophobicContact CB-CZ 3.96Å; R188-F209 WeakPolarHBondContact CD-O 3.28Å; R188-F209 HydrophobicContact CG-CE1 4.42Å; R188-F209 HydrophobicContact CG-CE2 4.38Å; R188-F209 HydrophobicContact CG-CZ 4.09Å; R188-F209 PolarHBondContact NH1-O 3.35Å; R188-F209 VanDerWaalsContact NH1-O 3.08Å; R188-P212 VanDerWaalsContact NH1-CG 3.3Å; R188-F696 VanDerWaalsContact CZ-CE2 3.44Å; R188-F696 VanDerWaalsContact NH2-CE2 3.29Å
189	Y	95.1	Very high	82.7	Confident	2 Å²	2	20.5 Å²	20.5	1%	0.008	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.9	179.7	-59	-74.2	0	0	0	111.2	L45 L48 G55 F72 I160 V161 V162 L163	L45-Y189 HydrophobicContact CD2-CD1 3.75Å; L45-Y189 HydrophobicContact CD2-CE1 3.9Å; L48-Y189 HydrophobicContact CB-CE1 4.44Å; L48-Y189 HydrophobicContact CD1-CE1 4.44Å; G55-Y189 VanDerWaalsContact O-CA 3.29Å; G55-Y189 WeakPolarHBondContact O-CA 3.45Å; F72-Y189 HydrophobicContact CE1-CD2 4.04Å; F72-Y189 AromaticContact CE1-CE2 3.51Å; F72-Y189 HydrophobicContact CE1-CE2 3.51Å; F72-Y189 AromaticContact CE1-CZ 3.97Å; F72-Y189 AromaticContact CZ-CE2 3.62Å; F72-Y189 HydrophobicContact CZ-CE2 3.62Å; F72-Y189 AromaticContact CZ-CZ 3.7Å; F72-Y189 WeakPolarHBondContact CZ-OH 3.35Å; I160-Y189 HydrophobicContact CG2-CD2 3.72Å; I160-Y189 HydrophobicContact CG2-CE2 3.89Å; V161-Y189 PolarHBondContact O-N 3.05Å; V162-Y189 CarbonylContact C-O 3.42Å; V162-Y189 WeakPolarHBondContact CA-O 3.49Å; L163-Y189 PolarHBondContact N-O 2.81Å
190	I	94.2	Very high	82.4	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.4	169.9	-65.5	-178.8	0	0	0	108.4	G55 I56 L57 L163 I169 L206 F209 V210	G55-I190 PolarHBondContact O-N 2.97Å; I56-I190 CarbonylContact C-O 3.56Å; I56-I190 WeakPolarHBondContact CA-O 3.06Å; I56-I190 HydrophobicContact CG1-CB 4.16Å; I56-I190 HydrophobicContact CG2-CB 4.28Å; I56-I190 HydrophobicContact CG2-CG2 4.18Å; L57-I190 PolarHBondContact N-O 3.14Å; L163-I190 HydrophobicContact CB-CG1 4.26Å; L163-I190 HydrophobicContact CD1-CG1 4.23Å; I169-I190 HydrophobicContact CD1-CD1 4.1Å; I190-L206 HydrophobicContact CD1-CB 4.03Å; I190-L206 HydrophobicContact CD1-CD2 3.64Å; I190-L206 HydrophobicContact CD1-CG 4.44Å; I190-F209 HydrophobicContact CD1-CD1 3.74Å; I190-F209 HydrophobicContact CG1-CD1 3.67Å; I190-F209 HydrophobicContact CG1-CE1 3.97Å; I190-V210 HydrophobicContact CB-CG2 4.25Å; I190-V210 HydrophobicContact CD1-CG2 3.56Å; I190-V210 HydrophobicContact CG1-CG2 3.6Å
191	V	92	Very high	82.2	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116.8	171.8	-175.1	0	0	0	0	107	K65 I69 V162 L163 E165 G166	K65-V191 HydrophobicContact CB-CG1 3.57Å; K65-V191 HydrophobicContact CD-CG1 3.71Å; K65-V191 HydrophobicContact CG-CG1 4.22Å; I69-V191 HydrophobicContact CD1-CG2 3.69Å; I69-V191 HydrophobicContact CG1-CG2 3.6Å; V162-V191 HydrophobicContact CG1-CG2 3.7Å; L163-V191 PolarHBondContact O-N 3.43Å; E165-V191 WeakPolarHBondContact CA-O 3.34Å; E165-V191 PolarHBondContact N-O 3.15Å; G166-V191 PolarHBondContact N-O 3.13Å
192	S	86.6	Confident	82.1	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.			trans	-156	133.2	174	-169.6	0	0	0	0	111.3	L57 G58 H167 S194	L57-S192 PolarHBondContact O-N 2.78Å; L57-S192 VanDerWaalsContact O-N 3.13Å; G58-S192 VanDerWaalsContact CA-O 3.3Å; G58-S192 WeakPolarHBondContact CA-O 3.36Å; H167-S192 PolarHBondContact ND1-OG 2.98Å; S192-S194 PolarHBondContact O-N 3.05Å; S192-S194 PolarHBondContact OG-N 2.83Å
193	G	76.7	Confident	82	Confident	11 Å²	11	14.9 Å²	14.9	11%	0.113	8%	0.075	C	C	.	.	S	Bend	trans	-71.7	-12	172.6	0	0	0	0	0	114.2	D59	D59-G193 WeakPolarHBondContact O-CA 3.07Å
194	S	75.2	Confident	82.1	Confident	13 Å²	13	15.7 Å²	15.7	9%	0.091	8%	0.078	C	C	.	.			trans	-137.2	71.7	-179.4	62.5	0	0	0	0	109.3	S192 M196 Q197 Q446	S192-S194 PolarHBondContact O-N 3.05Å; S192-S194 PolarHBondContact OG-N 2.83Å; S194-M196 PolarHBondContact O-N 3.37Å; S194-Q197 PolarHBondContact OG-NE2 3.29Å; S194-Q446 PolarHBondContact OG-NE2 3.06Å
195	P	64.7	Low	82.2	Confident	4 Å²	4	11.7 Å²	11.7	3%	0.026	6%	0.063	C	C	.	.	S	Bend	trans	-61.6	-31.5	-175.3	24.6	-33.9	0	0	0	111.9	I56 L206 L260	I56-P195 HydrophobicContact CG2-CB 4.09Å; P195-L206 WeakPolarHBondContact O-CD1 3.5Å; P195-L260 HydrophobicContact CB-CD1 4.37Å; P195-L260 HydrophobicContact CG-CD1 4.29Å
196	M	64.2	Low	82.3	Confident	11 Å²	11	11.8 Å²	11.8	5%	0.054	6%	0.063	C	C	.	.			trans	-119.6	133.8	173	-65.6	-146.1	-70.3	0	0	110.6	S194 L203 I486 V489 L490	S194-M196 PolarHBondContact O-N 3.37Å; M196-L203 HydrophobicContact CE-CD2 4.36Å; M196-L203 HydrophobicContact CG-CB 4.26Å; M196-L203 HydrophobicContact CG-CD1 3.83Å; M196-L203 HydrophobicContact CG-CG 4.47Å; M196-L203 HydrophobicContact SD-CB 3.52Å; M196-L203 VanDerWaalsContact SD-CB 3.52Å; M196-L203 HydrophobicContact SD-CD1 3.63Å; M196-L203 HydrophobicContact SD-CD2 3.51Å; M196-L203 VanDerWaalsContact SD-CD2 3.51Å; M196-L203 HydrophobicContact SD-CG 3.71Å; M196-I486 HydrophobicContact CB-CG1 4.41Å; M196-I486 HydrophobicContact CB-CG2 4.2Å; M196-I486 HydrophobicContact CE-CG2 4.44Å; M196-V489 HydrophobicContact CE-CB 3.63Å; M196-V489 HydrophobicContact CE-CG1 3.66Å; M196-V489 HydrophobicContact CE-CG2 4.3Å; M196-L490 HydrophobicContact CB-CD1 4.2Å; M196-L490 HydrophobicContact CE-CD1 3.61Å; M196-L490 HydrophobicContact CE-CD2 3.77Å; M196-L490 HydrophobicContact CE-CG 3.42Å; M196-L490 VanDerWaalsContact CE-CG 3.42Å; M196-L490 HydrophobicContact CG-CD1 4.17Å
197	Q	64.3	Low	82.6	Confident	4 Å²	4	11.1 Å²	11.1	2%	0.019	6%	0.059	C	C	.	.	S	Bend	trans	-117.4	-47.4	180	-56.3	-171.8	-17.8	0	0	112.9	H167 S194 E202 N440 T442 I486	H167-Q197 PolarHBondContact CD2-NE2 2.88Å; H167-Q197 VanDerWaalsContact CG-NE2 3.29Å; S194-Q197 PolarHBondContact OG-NE2 3.29Å; Q197-E202 PolarHBondContact N-OE2 2.99Å; Q197-N440 PolarHBondContact OE1-ND2 2.73Å; Q197-T442 HydrophobicContact CB-CG2 3.87Å; Q197-T442 VanDerWaalsContact CD-OG1 3.24Å; Q197-T442 HydrophobicContact CG-CG2 3.82Å; Q197-T442 WeakPolarHBondContact CG-OG1 3.5Å; Q197-T442 PolarHBondContact NE2-OG1 3.19Å; Q197-I486 WeakPolarHBondContact O-CD1 3.21Å
198	N	65.8	Low	82.6	Confident	37 Å²	37	12.2 Å²	12.2	20%	0.198	7%	0.065	C	C	.	.	S	Bend	trans	-141.3	-25.1	-167.7	-64.8	-77	0	0	0	116.4	E202 N440 K482	N198-E202 PolarHBondContact N-OE2 3.11Å; N198-N440 PolarHBondContact ND2-OD1 3.08Å; N198-N440 PolarHBondContact OD1-OD1 3.32Å; N198-K482 VanDerWaalsContact OD1-CD 3.27Å; N198-K482 WeakPolarHBondContact OD1-CD 3.4Å; N198-K482 VanDerWaalsContact OD1-CE 3.29Å; N198-K482 WeakPolarHBondContact OD1-CE 3.25Å; N198-K482 PolarHBondContact OD1-NZ 3.32Å
199	S	73.4	Confident	82.5	Confident	36 Å²	36	11.8 Å²	11.8	25%	0.252	6%	0.063	S	C	.	.			trans	-154.7	157.6	-177.2	71.8	0	0	0	0	114.6	R201 E202 L203	S199-R201 PolarHBondContact O-N 2.85Å; S199-R201 PolarHBondContact OG-N 3.27Å; S199-E202 WeakPolarHBondContact O-CB 3.35Å; S199-E202 PolarHBondContact O-N 3.33Å; S199-E202 WeakPolarHBondContact OG-CG 3.38Å; S199-E202 PolarHBondContact OG-N 3.26Å; S199-L203 PolarHBondContact O-N 2.68Å
200	L	81.7	Confident	82.2	Confident	7 Å²	7	12 Å²	12	4%	0.037	6%	0.064	C	C	.	.	H	α-helix	trans	-61.8	-24.4	172.5	-67	172.2	0	0	0	112.2	E202 L203 W204 F221 I229 L252 V489	L200-E202 VanDerWaalsContact C-N 3.34Å; L200-L203 HydrophobicContact CD2-CD2 4.37Å; L200-L203 WeakPolarHBondContact O-CB 3.48Å; L200-L203 PolarHBondContact O-N 2.85Å; L200-W204 PolarHBondContact O-N 2.87Å; L200-F221 HydrophobicContact CB-CE1 4.02Å; L200-F221 HydrophobicContact CB-CZ 4.27Å; L200-F221 WeakPolarHBondContact O-CE1 3.49Å; L200-I229 HydrophobicContact CD1-CB 3.8Å; L200-I229 HydrophobicContact CD1-CD1 3.92Å; L200-I229 HydrophobicContact CD1-CG1 4.45Å; L200-I229 HydrophobicContact CD1-CG2 3.86Å; L200-L252 HydrophobicContact CD2-CD2 3.88Å; L200-V489 HydrophobicContact CD2-CG2 4.05Å
201	R	86.1	Confident	81.9	Confident	50 Å²	50	14.7 Å²	14.7	19%	0.189	8%	0.075	C	C	.	.	H	α-helix	trans	-63.9	-38.2	172.6	179.3	172.2	-174.2	-169	-0.8	112.2	P172 D173 S199 W204 S205 L218 L222	P172-R201 HydrophobicContact CG-CG 4.27Å; D173-R201 VanDerWaalsContact CG-NH2 3.33Å; D173-R201 IonicContact OD1-NH2 2.67Å; D173-R201 PolarHBondContact OD1-NH2 2.85Å; D173-R201 IonicContact OD2-CZ 3.15Å; D173-R201 IonicContact OD2-NH2 2.76Å; D173-R201 PolarHBondContact OD2-NH2 2.67Å; S199-R201 PolarHBondContact O-N 2.85Å; S199-R201 PolarHBondContact OG-N 3.27Å; R201-W204 PolarHBondContact O-N 2.96Å; R201-S205 PolarHBondContact O-N 2.87Å; R201-S205 VanDerWaalsContact O-N 3.08Å; R201-L218 HydrophobicContact CG-CD1 3.99Å; R201-L218 HydrophobicContact CG-CD2 4.46Å; R201-L222 HydrophobicContact CB-CD2 4.35Å
202	E	86.7	Confident	81.5	Confident	22 Å²	22	15.3 Å²	15.3	10%	0.103	8%	0.079	C	C	.	.	H	α-helix	trans	-65.9	-44.9	176.4	-58	179.1	162.8	0	0	110.8	R170 Q197 N198 S199 L200 W204 S205 L206	R170-E202 HydrophobicContact CB-CB 3.87Å; R170-E202 HydrophobicContact CB-CG 3.74Å; R170-E202 HydrophobicContact CG-CG 4.43Å; R170-E202 WeakPolarHBondContact O-CA 3.24Å; Q197-E202 PolarHBondContact N-OE2 2.99Å; N198-E202 PolarHBondContact N-OE2 3.11Å; S199-E202 WeakPolarHBondContact O-CB 3.35Å; S199-E202 PolarHBondContact O-N 3.33Å; S199-E202 WeakPolarHBondContact OG-CG 3.38Å; S199-E202 PolarHBondContact OG-N 3.26Å; L200-E202 VanDerWaalsContact C-N 3.34Å; E202-W204 VanDerWaalsContact C-N 3.31Å; E202-W204 PolarHBondContact O-N 3.26Å; E202-S205 WeakPolarHBondContact O-CB 3.38Å; E202-S205 PolarHBondContact O-N 3.32Å; E202-S205 VanDerWaalsContact O-N 3.1Å; E202-L206 WeakPolarHBondContact O-CG 3.37Å; E202-L206 PolarHBondContact O-N 3Å; E202-L206 VanDerWaalsContact O-N 3.1Å
203	L	86.2	Confident	81.4	Confident	3 Å²	3	15.5 Å²	15.5	2%	0.016	8%	0.081	C	C	.	.	H	α-helix	trans	-56.7	-47.7	175.2	-176.5	59.3	0	0	0	111.3	M196 S199 L200 S205 L206 M207 L252 I256 V489	M196-L203 HydrophobicContact CE-CD2 4.36Å; M196-L203 HydrophobicContact CG-CB 4.26Å; M196-L203 HydrophobicContact CG-CD1 3.83Å; M196-L203 HydrophobicContact CG-CG 4.47Å; M196-L203 HydrophobicContact SD-CB 3.52Å; M196-L203 VanDerWaalsContact SD-CB 3.52Å; M196-L203 HydrophobicContact SD-CD1 3.63Å; M196-L203 HydrophobicContact SD-CD2 3.51Å; M196-L203 VanDerWaalsContact SD-CD2 3.51Å; M196-L203 HydrophobicContact SD-CG 3.71Å; S199-L203 PolarHBondContact O-N 2.68Å; L200-L203 HydrophobicContact CD2-CD2 4.37Å; L200-L203 WeakPolarHBondContact O-CB 3.48Å; L200-L203 PolarHBondContact O-N 2.85Å; L203-S205 VanDerWaalsContact C-N 3.28Å; L203-S205 PolarHBondContact O-N 2.94Å; L203-L206 PolarHBondContact O-N 3.03Å; L203-M207 HydrophobicContact CD1-CG 4.09Å; L203-M207 HydrophobicContact CG-CG 4.28Å; L203-M207 WeakPolarHBondContact O-CB 3.37Å; L203-M207 VanDerWaalsContact O-CG 3.31Å; L203-M207 WeakPolarHBondContact O-CG 3.48Å; L203-M207 PolarHBondContact O-N 3.07Å; L203-L252 HydrophobicContact CD2-CD2 4.08Å; L203-L252 HydrophobicContact CD2-CG 4.49Å; L203-I256 HydrophobicContact CD1-CD1 4.07Å; L203-I256 HydrophobicContact CD2-CD1 3.41Å; L203-I256 VanDerWaalsContact CD2-CD1 3.41Å; L203-I256 HydrophobicContact CG-CD1 3.88Å; L203-V489 HydrophobicContact CD2-CG1 4.38Å
204	W	89.5	Confident	81.8	Confident	21 Å²	21	16.4 Å²	16.4	8%	0.08	8%	0.083	C	C	.	.	H	α-helix	trans	-56.6	-44	176.5	-179.7	89.2	0	0	0	111.5	P172 L200 R201 E202 L206 M207 D208 G216 L218 F221	P172-W204 HydrophobicContact CB-CE3 4.28Å; P172-W204 HydrophobicContact CB-CZ3 3.79Å; L200-W204 PolarHBondContact O-N 2.87Å; R201-W204 PolarHBondContact O-N 2.96Å; E202-W204 VanDerWaalsContact C-N 3.31Å; E202-W204 PolarHBondContact O-N 3.26Å; W204-L206 VanDerWaalsContact C-N 3.33Å; W204-L206 PolarHBondContact O-N 3.44Å; W204-M207 PolarHBondContact O-N 3.23Å; W204-D208 HydrophobicContact CH2-CB 4.27Å; W204-D208 HydrophobicContact CZ2-CB 4.24Å; W204-D208 HydrophobicContact CZ3-CB 4.42Å; W204-D208 WeakPolarHBondContact O-CB 3.24Å; W204-D208 PolarHBondContact O-N 2.79Å; W204-G216 PolarHBondContact NE1-O 2.9Å; W204-L218 HydrophobicContact CB-CD1 4.21Å; W204-L218 HydrophobicContact CD2-CB 3.95Å; W204-L218 HydrophobicContact CD2-CD1 3.7Å; W204-L218 HydrophobicContact CD2-CG 4.39Å; W204-L218 HydrophobicContact CE3-CB 3.97Å; W204-L218 HydrophobicContact CE3-CD1 3.68Å; W204-L218 HydrophobicContact CE3-CD2 4.43Å; W204-L218 HydrophobicContact CE3-CG 4.23Å; W204-L218 HydrophobicContact CG-CD1 3.91Å; W204-L218 HydrophobicContact CH2-CB 3.84Å; W204-L218 HydrophobicContact CZ2-CB 3.82Å; W204-L218 VanDerWaalsContact CZ2-N 3.31Å; W204-L218 HydrophobicContact CZ3-CB 3.91Å; W204-L218 HydrophobicContact CZ3-CD1 4.38Å; W204-L218 HydrophobicContact CZ3-CD2 4.4Å; W204-L218 HydrophobicContact CZ3-CG 4.45Å; W204-F221 HydrophobicContact CB-CD1 3.78Å; W204-F221 HydrophobicContact CB-CE1 3.8Å; W204-F221 HydrophobicContact CB-CG 4.46Å; W204-F221 HydrophobicContact CB-CZ 4.48Å; W204-F221 AromaticContact CD1-CD1 3.68Å; W204-F221 AromaticContact CD1-CG 3.55Å; W204-F221 AromaticContact CG-CD1 3.94Å; W204-F221 HydrophobicContact CG-CD1 3.94Å; W204-F221 HydrophobicContact CG-CE1 4.43Å; W204-F221 HydrophobicContact CG-CG 4.26Å
205	S	90.2	Very high	82.3	Confident	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61	-41.1	179.8	-167.4	0	0	0	0	112.8	I169 R170 R201 E202 L203 F209	I169-S205 WeakPolarHBondContact O-CB 3.5Å; I169-S205 PolarHBondContact O-OG 3.25Å; R170-S205 WeakPolarHBondContact O-CB 3.44Å; R201-S205 PolarHBondContact O-N 2.87Å; R201-S205 VanDerWaalsContact O-N 3.08Å; E202-S205 WeakPolarHBondContact O-CB 3.38Å; E202-S205 PolarHBondContact O-N 3.32Å; E202-S205 VanDerWaalsContact O-N 3.1Å; L203-S205 VanDerWaalsContact C-N 3.28Å; L203-S205 PolarHBondContact O-N 2.94Å; S205-F209 PolarHBondContact O-N 2.76Å
206	L	89.9	Confident	83.4	Confident	2 Å²	2	15.8 Å²	15.8	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-70.3	-45.8	178.5	-63.2	170.2	0	0	0	111.7	I56 G166 I169 I190 P195 E202 L203 W204 D208 F209 V210	I56-L206 HydrophobicContact CD1-CB 4.17Å; G166-L206 WeakPolarHBondContact O-CD2 3.46Å; I169-L206 HydrophobicContact CD1-CD2 4.05Å; I169-L206 HydrophobicContact CG1-CD2 3.71Å; I190-L206 HydrophobicContact CD1-CB 4.03Å; I190-L206 HydrophobicContact CD1-CD2 3.64Å; I190-L206 HydrophobicContact CD1-CG 4.44Å; P195-L206 WeakPolarHBondContact O-CD1 3.5Å; E202-L206 WeakPolarHBondContact O-CG 3.37Å; E202-L206 PolarHBondContact O-N 3Å; E202-L206 VanDerWaalsContact O-N 3.1Å; L203-L206 PolarHBondContact O-N 3.03Å; W204-L206 VanDerWaalsContact C-N 3.33Å; W204-L206 PolarHBondContact O-N 3.44Å; L206-D208 VanDerWaalsContact C-N 3.29Å; L206-D208 PolarHBondContact O-N 3.37Å; L206-F209 PolarHBondContact O-N 2.85Å; L206-F209 VanDerWaalsContact O-N 3.16Å; L206-V210 PolarHBondContact O-N 3.46Å; L206-V210 VanDerWaalsContact O-N 3.08Å
207	M	89	Confident	84.6	Confident	1 Å²	1	17.3 Å²	17.3	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-63.9	-36.7	177.4	-66.5	-48	-61.3	0	0	111.6	I56 L203 W204 F209 V210 Y211 L214 L215 I256 C259	I56-M207 HydrophobicContact CD1-SD 3.59Å; I56-M207 VanDerWaalsContact CD1-SD 3.59Å; L203-M207 HydrophobicContact CD1-CG 4.09Å; L203-M207 HydrophobicContact CG-CG 4.28Å; L203-M207 WeakPolarHBondContact O-CB 3.37Å; L203-M207 VanDerWaalsContact O-CG 3.31Å; L203-M207 WeakPolarHBondContact O-CG 3.48Å; L203-M207 PolarHBondContact O-N 3.07Å; W204-M207 PolarHBondContact O-N 3.23Å; M207-F209 VanDerWaalsContact C-N 3.29Å; M207-F209 PolarHBondContact O-N 3.2Å; M207-V210 PolarHBondContact O-N 3.37Å; M207-Y211 CarbonylContact O-C 3.47Å; M207-Y211 WeakPolarHBondContact O-CA 3.44Å; M207-Y211 PolarHBondContact O-N 3.38Å; M207-L214 HydrophobicContact CE-CD2 3.38Å; M207-L215 HydrophobicContact CB-CD1 3.77Å; M207-L215 HydrophobicContact CB-CG 4.35Å; M207-L215 HydrophobicContact CG-CD1 3.87Å; M207-I256 HydrophobicContact CE-CG1 4.28Å; M207-I256 HydrophobicContact CE-CG2 4.08Å; M207-I256 HydrophobicContact CG-CD1 4.22Å; M207-I256 HydrophobicContact CG-CG1 4.35Å; M207-I256 HydrophobicContact SD-CG1 4.43Å; M207-I256 HydrophobicContact SD-CG2 3.84Å; M207-C259 HydrophobicContact CE-CB 3.77Å
208	D	89.8	Confident	85.7	Confident	23 Å²	23	18.6 Å²	18.6	12%	0.123	9%	0.094	C	C	.	.	H	α-helix	trans	-67.9	-27.3	176.2	-175.5	59.3	0	0	0	112.8	K181 W204 L206 P212	K181-D208 VanDerWaalsContact CE-OD2 3.3Å; K181-D208 WeakPolarHBondContact CE-OD2 3.29Å; K181-D208 IonicContact NZ-OD2 3.62Å; K181-D208 PolarHBondContact NZ-OD2 3.49Å; W204-D208 HydrophobicContact CH2-CB 4.27Å; W204-D208 HydrophobicContact CZ2-CB 4.24Å; W204-D208 HydrophobicContact CZ3-CB 4.42Å; W204-D208 WeakPolarHBondContact O-CB 3.24Å; W204-D208 PolarHBondContact O-N 2.79Å; L206-D208 VanDerWaalsContact C-N 3.29Å; L206-D208 PolarHBondContact O-N 3.37Å; D208-P212 VanDerWaalsContact O-CA 3.32Å; D208-P212 WeakPolarHBondContact O-CA 2.91Å; D208-P212 WeakPolarHBondContact O-CG 3.38Å
209	F	90.2	Very high	86.8	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-71.4	-54	169.7	173.2	-102.6	0	0	0	111.1	V161 L163 I169 V180 K181 R188 I190 S205 L206 M207	V161-F209 HydrophobicContact CG1-CZ 4.2Å; L163-F209 HydrophobicContact CD1-CD1 3.65Å; L163-F209 HydrophobicContact CD1-CD2 4.25Å; L163-F209 HydrophobicContact CD1-CE1 3.35Å; L163-F209 HydrophobicContact CD1-CE2 4.02Å; L163-F209 HydrophobicContact CD1-CG 4.08Å; L163-F209 HydrophobicContact CD1-CZ 3.55Å; L163-F209 HydrophobicContact CD2-CZ 4.16Å; L163-F209 HydrophobicContact CG-CD1 4.35Å; L163-F209 HydrophobicContact CG-CE1 3.58Å; L163-F209 HydrophobicContact CG-CZ 3.67Å; I169-F209 HydrophobicContact CD1-CB 3.73Å; I169-F209 HydrophobicContact CD1-CD1 4.34Å; I169-F209 HydrophobicContact CD1-CG 3.96Å; V180-F209 HydrophobicContact CG1-CD2 3.68Å; V180-F209 HydrophobicContact CG1-CE2 3.31Å; V180-F209 HydrophobicContact CG1-CZ 3.97Å; K181-F209 HydrophobicContact CG-CD2 4.31Å; R188-F209 HydrophobicContact CB-CD1 4.31Å; R188-F209 HydrophobicContact CB-CE1 3.8Å; R188-F209 HydrophobicContact CB-CZ 3.96Å; R188-F209 WeakPolarHBondContact CD-O 3.28Å; R188-F209 HydrophobicContact CG-CE1 4.42Å; R188-F209 HydrophobicContact CG-CE2 4.38Å; R188-F209 HydrophobicContact CG-CZ 4.09Å; R188-F209 PolarHBondContact NH1-O 3.35Å; R188-F209 VanDerWaalsContact NH1-O 3.08Å; I190-F209 HydrophobicContact CD1-CD1 3.74Å; I190-F209 HydrophobicContact CG1-CD1 3.67Å; I190-F209 HydrophobicContact CG1-CE1 3.97Å; S205-F209 PolarHBondContact O-N 2.76Å; L206-F209 PolarHBondContact O-N 2.85Å; L206-F209 VanDerWaalsContact O-N 3.16Å; M207-F209 VanDerWaalsContact C-N 3.29Å; M207-F209 PolarHBondContact O-N 3.2Å
210	V	89.6	Confident	87.5	Confident	5 Å²	5	20.6 Å²	20.6	3%	0.03	11%	0.106	C	C	.	.	H	α-helix	trans	-68.2	-46.6	-172.5	173.7	0	0	0	0	112.5	G54 I56 I190 L206 M207	G54-V210 WeakPolarHBondContact O-CG1 3.33Å; I56-V210 HydrophobicContact CD1-CG2 4.35Å; I56-V210 HydrophobicContact CG1-CB 4.45Å; I56-V210 HydrophobicContact CG1-CG1 4.48Å; I56-V210 HydrophobicContact CG1-CG2 3.71Å; I190-V210 HydrophobicContact CB-CG2 4.25Å; I190-V210 HydrophobicContact CD1-CG2 3.56Å; I190-V210 HydrophobicContact CG1-CG2 3.6Å; L206-V210 PolarHBondContact O-N 3.46Å; L206-V210 VanDerWaalsContact O-N 3.08Å; M207-V210 PolarHBondContact O-N 3.37Å
211	Y	87.5	Confident	87.9	Confident	59 Å²	59	20.3 Å²	20.3	23%	0.231	10%	0.104	C	C	.	.	S	Bend	trans	-133	87.5	176.8	-163.4	-55.4	0	0	0	108.9	L53 M207 G213 L214 R693	L53-Y211 HydrophobicContact CD2-CD2 3.91Å; L53-Y211 HydrophobicContact CD2-CE2 3.37Å; M207-Y211 CarbonylContact O-C 3.47Å; M207-Y211 WeakPolarHBondContact O-CA 3.44Å; M207-Y211 PolarHBondContact O-N 3.38Å; Y211-G213 PolarHBondContact O-N 2.9Å; Y211-L214 HydrophobicContact CD1-CB 3.56Å; Y211-L214 HydrophobicContact CD1-CD1 4.23Å; Y211-L214 HydrophobicContact CD1-CG 4.4Å; Y211-L214 HydrophobicContact CE1-CB 4.27Å; Y211-L214 HydrophobicContact CE1-CD1 4.31Å; Y211-L214 HydrophobicContact CG-CB 3.87Å; Y211-L214 HydrophobicContact CG-CD1 4.35Å; Y211-L214 HydrophobicContact CG-CD2 4.43Å; Y211-L214 HydrophobicContact CG-CG 4.44Å; Y211-L214 WeakPolarHBondContact O-CB 3.43Å; Y211-L214 PolarHBondContact O-N 2.7Å; Y211-L214 VanDerWaalsContact O-N 3.07Å; Y211-R693 PolarHBondContact OH-NH1 3Å
212	P	84.8	Confident	88	Confident	12 Å²	12	19.2 Å²	19.2	8%	0.078	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	126.2	179.1	-27.2	36.5	0	0	0	112	R188 D208 L214 F696	R188-P212 VanDerWaalsContact NH1-CG 3.3Å; D208-P212 VanDerWaalsContact O-CA 3.32Å; D208-P212 WeakPolarHBondContact O-CA 2.91Å; D208-P212 WeakPolarHBondContact O-CG 3.38Å; P212-L214 PolarHBondContact O-N 3.04Å; P212-F696 HydrophobicContact CB-CB 3.84Å; P212-F696 HydrophobicContact CB-CD1 3.89Å; P212-F696 HydrophobicContact CB-CD2 3.73Å; P212-F696 HydrophobicContact CB-CE1 4.38Å; P212-F696 HydrophobicContact CB-CE2 4.29Å; P212-F696 HydrophobicContact CB-CG 3.5Å; P212-F696 HydrophobicContact CG-CD1 3.87Å; P212-F696 HydrophobicContact CG-CD2 3.63Å; P212-F696 HydrophobicContact CG-CE1 3.84Å; P212-F696 HydrophobicContact CG-CE2 3.66Å; P212-F696 HydrophobicContact CG-CG 3.74Å; P212-F696 HydrophobicContact CG-CZ 3.74Å
213	G	82.9	Confident	88	Confident	4 Å²	4	25.2 Å²	25.2	4%	0.041	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	0.4	-179.8	0	0	0	0	0	116.4	Y211 L215 G216 Q689	Y211-G213 PolarHBondContact O-N 2.9Å; G213-L215 PolarHBondContact O-N 3.04Å; G213-G216 PolarHBondContact O-N 3.21Å; G213-G216 VanDerWaalsContact O-N 3.17Å; G213-Q689 VanDerWaalsContact O-CG 3.31Å; G213-Q689 WeakPolarHBondContact O-CG 3.38Å
214	L	86.1	Confident	88.1	Confident	31 Å²	31	26.7 Å²	26.7	16%	0.162	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-38.9	178.3	-178.4	65.1	0	0	0	112.8	M207 Y211 P212 Q689	M207-L214 HydrophobicContact CE-CD2 3.38Å; Y211-L214 HydrophobicContact CD1-CB 3.56Å; Y211-L214 HydrophobicContact CD1-CD1 4.23Å; Y211-L214 HydrophobicContact CD1-CG 4.4Å; Y211-L214 HydrophobicContact CE1-CB 4.27Å; Y211-L214 HydrophobicContact CE1-CD1 4.31Å; Y211-L214 HydrophobicContact CG-CB 3.87Å; Y211-L214 HydrophobicContact CG-CD1 4.35Å; Y211-L214 HydrophobicContact CG-CD2 4.43Å; Y211-L214 HydrophobicContact CG-CG 4.44Å; Y211-L214 WeakPolarHBondContact O-CB 3.43Å; Y211-L214 PolarHBondContact O-N 2.7Å; Y211-L214 VanDerWaalsContact O-N 3.07Å; P212-L214 PolarHBondContact O-N 3.04Å; L214-Q689 VanDerWaalsContact O-CD 3.27Å; L214-Q689 PolarHBondContact O-NE2 2.91Å
215	L	86.4	Confident	87.9	Confident	4 Å²	4	25.9 Å²	25.9	2%	0.021	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	8.7	-178.1	-62.9	179.3	0	0	0	112.9	M207 G213 F221 L252 I256 L685	M207-L215 HydrophobicContact CB-CD1 3.77Å; M207-L215 HydrophobicContact CB-CG 4.35Å; M207-L215 HydrophobicContact CG-CD1 3.87Å; G213-L215 PolarHBondContact O-N 3.04Å; L215-F221 HydrophobicContact CB-CD2 3.99Å; L215-F221 HydrophobicContact CB-CE2 4.44Å; L215-F221 HydrophobicContact CD1-CD2 4.28Å; L215-F221 HydrophobicContact CD1-CE2 3.92Å; L215-F221 HydrophobicContact CD1-CZ 4.4Å; L215-F221 HydrophobicContact CD2-CE2 4.43Å; L215-L252 HydrophobicContact CD1-CD1 4.42Å; L215-L252 HydrophobicContact CD2-CD1 3.9Å; L215-I256 HydrophobicContact CD1-CD1 4.34Å; L215-L685 WeakPolarHBondContact O-CD1 3.43Å; L215-L685 WeakPolarHBondContact O-CG 3.29Å
216	G	87.3	Confident	87.7	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.			trans	68.9	-166.7	-172.4	0	0	0	0	0	112.7	W204 G213 S688	W204-G216 PolarHBondContact NE1-O 2.9Å; G213-G216 PolarHBondContact O-N 3.21Å; G213-G216 VanDerWaalsContact O-N 3.17Å; G216-S688 WeakPolarHBondContact CA-OG 3.41Å
217	D	88.5	Confident	87.5	Confident	43 Å²	43	27.7 Å²	27.7	23%	0.23	14%	0.139	C	C	.	.			trans	-71.3	154.8	175.9	75.5	-83.6	0	0	0	112.3	T219 T220 F221 S688	D217-T219 VanDerWaalsContact C-N 3.29Å; D217-T219 PolarHBondContact O-N 3.38Å; D217-T219 WeakPolarHBondContact OD2-CA 3.23Å; D217-T219 VanDerWaalsContact OD2-CB 3.3Å; D217-T219 WeakPolarHBondContact OD2-CB 3.46Å; D217-T219 PolarHBondContact OD2-N 2.93Å; D217-T220 PolarHBondContact O-N 3.34Å; D217-T220 WeakPolarHBondContact OD1-CB 3.4Å; D217-T220 PolarHBondContact OD1-OG1 2.82Å; D217-T220 PolarHBondContact OD2-N 3.49Å; D217-T220 PolarHBondContact OD2-OG1 2.7Å; D217-F221 WeakPolarHBondContact O-CB 3.34Å; D217-F221 PolarHBondContact O-N 2.83Å; D217-S688 PolarHBondContact N-OG 3.25Å; D217-S688 WeakPolarHBondContact OD1-CB 3.14Å; D217-S688 PolarHBondContact OD1-OG 3.26Å
218	L	88	Confident	87.2	Confident	31 Å²	31	28.7 Å²	28.7	16%	0.162	15%	0.146	C	C	.	.	H	α-helix	trans	-58.8	-38.5	-175.9	178.8	61.3	0	0	0	113	P172 R201 W204 F221 L222	P172-L218 HydrophobicContact CG-CD2 3.96Å; R201-L218 HydrophobicContact CG-CD1 3.99Å; R201-L218 HydrophobicContact CG-CD2 4.46Å; W204-L218 HydrophobicContact CB-CD1 4.21Å; W204-L218 HydrophobicContact CD2-CB 3.95Å; W204-L218 HydrophobicContact CD2-CD1 3.7Å; W204-L218 HydrophobicContact CD2-CG 4.39Å; W204-L218 HydrophobicContact CE3-CB 3.97Å; W204-L218 HydrophobicContact CE3-CD1 3.68Å; W204-L218 HydrophobicContact CE3-CD2 4.43Å; W204-L218 HydrophobicContact CE3-CG 4.23Å; W204-L218 HydrophobicContact CG-CD1 3.91Å; W204-L218 HydrophobicContact CH2-CB 3.84Å; W204-L218 HydrophobicContact CZ2-CB 3.82Å; W204-L218 VanDerWaalsContact CZ2-N 3.31Å; W204-L218 HydrophobicContact CZ3-CB 3.91Å; W204-L218 HydrophobicContact CZ3-CD1 4.38Å; W204-L218 HydrophobicContact CZ3-CD2 4.4Å; W204-L218 HydrophobicContact CZ3-CG 4.45Å; L218-F221 PolarHBondContact O-N 2.67Å; L218-L222 HydrophobicContact CD1-CD1 3.79Å; L218-L222 HydrophobicContact CD1-CD2 4.48Å; L218-L222 HydrophobicContact CD1-CG 3.86Å; L218-L222 HydrophobicContact CG-CD1 3.99Å; L218-L222 HydrophobicContact CG-CG 4.39Å; L218-L222 WeakPolarHBondContact O-CB 3.5Å; L218-L222 WeakPolarHBondContact O-CG 3.34Å; L218-L222 PolarHBondContact O-N 2.92Å
219	T	88.7	Confident	86.9	Confident	89 Å²	89	27.7 Å²	27.7	55%	0.546	14%	0.14	S	C	.	.	H	α-helix	trans	-70.1	-45	-175	-49.7	0	0	0	0	110.7	D217 R223	D217-T219 VanDerWaalsContact C-N 3.29Å; D217-T219 PolarHBondContact O-N 3.38Å; D217-T219 WeakPolarHBondContact OD2-CA 3.23Å; D217-T219 VanDerWaalsContact OD2-CB 3.3Å; D217-T219 WeakPolarHBondContact OD2-CB 3.46Å; D217-T219 PolarHBondContact OD2-N 2.93Å; T219-R223 WeakPolarHBondContact O-CB 3.31Å; T219-R223 PolarHBondContact O-N 3.48Å; T219-R223 VanDerWaalsContact O-N 3.13Å
220	T	87.9	Confident	86.5	Confident	26 Å²	26	29.1 Å²	29.1	16%	0.16	15%	0.15	C	C	.	.	H	α-helix	trans	-66.1	-43.9	175.2	-55.8	0	0	0	0	110.6	D217 L222 R223 E224 L685	D217-T220 PolarHBondContact O-N 3.34Å; D217-T220 WeakPolarHBondContact OD1-CB 3.4Å; D217-T220 PolarHBondContact OD1-OG1 2.82Å; D217-T220 PolarHBondContact OD2-N 3.49Å; D217-T220 PolarHBondContact OD2-OG1 2.7Å; T220-L222 PolarHBondContact O-N 2.7Å; T220-R223 PolarHBondContact O-N 3.23Å; T220-E224 HydrophobicContact CG2-CG 3.95Å; T220-E224 WeakPolarHBondContact O-CB 3.3Å; T220-E224 VanDerWaalsContact O-CG 3.22Å; T220-E224 WeakPolarHBondContact O-CG 3.38Å; T220-E224 PolarHBondContact O-N 3.1Å; T220-L685 HydrophobicContact CG2-CD1 4.12Å
221	F	90.2	Very high	86	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.2	-49.5	178.1	171.8	-100.3	0	0	0	112.7	L200 W204 L215 D217 L218 R223 L225 G226 L252 L685	L200-F221 HydrophobicContact CB-CE1 4.02Å; L200-F221 HydrophobicContact CB-CZ 4.27Å; L200-F221 WeakPolarHBondContact O-CE1 3.49Å; W204-F221 HydrophobicContact CB-CD1 3.78Å; W204-F221 HydrophobicContact CB-CE1 3.8Å; W204-F221 HydrophobicContact CB-CG 4.46Å; W204-F221 HydrophobicContact CB-CZ 4.48Å; W204-F221 AromaticContact CD1-CD1 3.68Å; W204-F221 AromaticContact CD1-CG 3.55Å; W204-F221 AromaticContact CG-CD1 3.94Å; W204-F221 HydrophobicContact CG-CD1 3.94Å; W204-F221 HydrophobicContact CG-CE1 4.43Å; W204-F221 HydrophobicContact CG-CG 4.26Å; L215-F221 HydrophobicContact CB-CD2 3.99Å; L215-F221 HydrophobicContact CB-CE2 4.44Å; L215-F221 HydrophobicContact CD1-CD2 4.28Å; L215-F221 HydrophobicContact CD1-CE2 3.92Å; L215-F221 HydrophobicContact CD1-CZ 4.4Å; L215-F221 HydrophobicContact CD2-CE2 4.43Å; D217-F221 WeakPolarHBondContact O-CB 3.34Å; D217-F221 PolarHBondContact O-N 2.83Å; L218-F221 PolarHBondContact O-N 2.67Å; F221-R223 VanDerWaalsContact C-N 3.34Å; F221-R223 PolarHBondContact O-N 3.31Å; F221-L225 HydrophobicContact CD2-CB 4.39Å; F221-L225 HydrophobicContact CD2-CD1 4.04Å; F221-L225 HydrophobicContact CE2-CB 4.14Å; F221-L225 HydrophobicContact CE2-CD1 3.86Å; F221-L225 PolarHBondContact O-N 3.42Å; F221-G226 PolarHBondContact O-N 3.5Å; F221-G226 VanDerWaalsContact O-N 3.14Å; F221-L252 HydrophobicContact CE2-CD1 3.85Å; F221-L252 HydrophobicContact CZ-CD1 4.39Å; F221-L252 HydrophobicContact CZ-CD2 4.4Å; F221-L685 HydrophobicContact CB-CD1 4.27Å
222	L	88.6	Confident	85.4	Confident	28 Å²	28	29.8 Å²	29.8	15%	0.147	16%	0.155	C	C	.	.	I	π-helix	trans	-65.1	-38.7	-180	-72.5	177	0	0	0	111.9	R201 L218 T220 G226 V227	R201-L222 HydrophobicContact CB-CD2 4.35Å; L218-L222 HydrophobicContact CD1-CD1 3.79Å; L218-L222 HydrophobicContact CD1-CD2 4.48Å; L218-L222 HydrophobicContact CD1-CG 3.86Å; L218-L222 HydrophobicContact CG-CD1 3.99Å; L218-L222 HydrophobicContact CG-CG 4.39Å; L218-L222 WeakPolarHBondContact O-CB 3.5Å; L218-L222 WeakPolarHBondContact O-CG 3.34Å; L218-L222 PolarHBondContact O-N 2.92Å; T220-L222 PolarHBondContact O-N 2.7Å; L222-G226 CarbonylContact O-C 3.59Å; L222-G226 WeakPolarHBondContact O-CA 3.44Å; L222-G226 PolarHBondContact O-N 3.13Å; L222-V227 WeakPolarHBondContact O-CG2 3.21Å; L222-V227 PolarHBondContact O-N 2.94Å
223	R	87.8	Confident	84.8	Confident	148 Å²	148	29.8 Å²	29.8	56%	0.558	16%	0.157	S	C	*	.	I	π-helix	trans	-65.5	-47	178.7	-171.6	-168.5	-43.2	-167.9	5.2	112.4	T219 T220 F221	T219-R223 WeakPolarHBondContact O-CB 3.31Å; T219-R223 PolarHBondContact O-N 3.48Å; T219-R223 VanDerWaalsContact O-N 3.13Å; T220-R223 PolarHBondContact O-N 3.23Å; F221-R223 VanDerWaalsContact C-N 3.34Å; F221-R223 PolarHBondContact O-N 3.31Å
224	E	86.8	Confident	84.4	Confident	34 Å²	34	33.9 Å²	33.9	16%	0.159	17%	0.172	C	C	.	.	I	π-helix	trans	-85.2	-34.5	-170	-62.1	-63.4	168.4	0	0	112.9	T220 A681 N684	T220-E224 HydrophobicContact CG2-CG 3.95Å; T220-E224 WeakPolarHBondContact O-CB 3.3Å; T220-E224 VanDerWaalsContact O-CG 3.22Å; T220-E224 WeakPolarHBondContact O-CG 3.38Å; T220-E224 PolarHBondContact O-N 3.1Å; E224-A681 HydrophobicContact CB-CB 3.94Å; E224-A681 WeakPolarHBondContact O-CB 3.4Å; E224-A681 VanDerWaalsContact OE2-CA 3.29Å; E224-A681 WeakPolarHBondContact OE2-CA 3.01Å; E224-N684 HydrophobicContact CG-CB 4.05Å; E224-N684 WeakPolarHBondContact OE1-CB 3.35Å; E224-N684 PolarHBondContact OE1-ND2 3.47Å
225	L	85.8	Confident	83.4	Confident	4 Å²	4	34.8 Å²	34.8	2%	0.021	18%	0.184	C	C	.	.	I	π-helix	trans	-119.3	-40.9	-177.7	-63.3	178.4	0	0	0	112.4	F221 I229 C248 L252 A681 L685	F221-L225 HydrophobicContact CD2-CB 4.39Å; F221-L225 HydrophobicContact CD2-CD1 4.04Å; F221-L225 HydrophobicContact CE2-CB 4.14Å; F221-L225 HydrophobicContact CE2-CD1 3.86Å; F221-L225 PolarHBondContact O-N 3.42Å; L225-I229 HydrophobicContact CB-CD1 4.49Å; L225-I229 WeakPolarHBondContact O-CB 3.29Å; L225-I229 VanDerWaalsContact O-CD1 3.25Å; L225-I229 WeakPolarHBondContact O-CD1 3.23Å; L225-I229 WeakPolarHBondContact O-CG1 3.17Å; L225-I229 PolarHBondContact O-N 2.76Å; L225-C248 HydrophobicContact CD2-CB 3.97Å; L225-L252 HydrophobicContact CD1-CD1 4.12Å; L225-A681 HydrophobicContact CD2-CB 4.43Å; L225-L685 HydrophobicContact CD1-CD2 3.91Å
226	G	85.2	Confident	82.8	Confident	3 Å²	3	40.8 Å²	40.8	3%	0.031	22%	0.216	C	C	.	.	I	π-helix	trans	-58.8	-62.8	-176.8	0	0	0	0	0	113.9	F221 L222 I229 T230	F221-G226 PolarHBondContact O-N 3.5Å; F221-G226 VanDerWaalsContact O-N 3.14Å; L222-G226 CarbonylContact O-C 3.59Å; L222-G226 WeakPolarHBondContact O-CA 3.44Å; L222-G226 PolarHBondContact O-N 3.13Å; G226-I229 PolarHBondContact O-N 2.97Å; G226-T230 PolarHBondContact O-N 3.09Å; G226-T230 PolarHBondContact O-OG1 2.78Å
227	V	85.5	Confident	82.1	Confident	36 Å²	36	41.5 Å²	41.5	22%	0.218	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-48.3	-176.2	172.2	0	0	0	0	112	L222 I229 T230 Q231 P779	L222-V227 WeakPolarHBondContact O-CG2 3.21Å; L222-V227 PolarHBondContact O-N 2.94Å; V227-I229 VanDerWaalsContact C-N 3.32Å; V227-I229 PolarHBondContact O-N 3.11Å; V227-T230 PolarHBondContact O-N 2.8Å; V227-Q231 HydrophobicContact CG1-CG 4.06Å; V227-Q231 WeakPolarHBondContact O-CB 3Å; V227-Q231 VanDerWaalsContact O-CG 3.29Å; V227-Q231 WeakPolarHBondContact O-CG 3.12Å; V227-Q231 PolarHBondContact O-N 3.48Å; V227-P779 HydrophobicContact CG2-CB 3.64Å; V227-P779 HydrophobicContact CG2-CG 3.66Å
228	P	83.9	Confident	81.7	Confident	23 Å²	23	43.1 Å²	43.1	15%	0.149	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-41	178.1	-26.7	36.6	0	0	0	113.2	G232 T244 A245	P228-G232 PolarHBondContact O-N 2.73Å; P228-T244 HydrophobicContact CB-CG2 4.33Å; P228-A245 WeakPolarHBondContact O-CB 3.24Å
229	I	82.7	Confident	81.2	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-66.2	-44.4	-179.9	-67.9	169.1	0	0	0	111	L200 L225 G226 V227 G233 C248 A249 L252	L200-I229 HydrophobicContact CD1-CB 3.8Å; L200-I229 HydrophobicContact CD1-CD1 3.92Å; L200-I229 HydrophobicContact CD1-CG1 4.45Å; L200-I229 HydrophobicContact CD1-CG2 3.86Å; L225-I229 HydrophobicContact CB-CD1 4.49Å; L225-I229 WeakPolarHBondContact O-CB 3.29Å; L225-I229 VanDerWaalsContact O-CD1 3.25Å; L225-I229 WeakPolarHBondContact O-CD1 3.23Å; L225-I229 WeakPolarHBondContact O-CG1 3.17Å; L225-I229 PolarHBondContact O-N 2.76Å; G226-I229 PolarHBondContact O-N 2.97Å; V227-I229 VanDerWaalsContact C-N 3.32Å; V227-I229 PolarHBondContact O-N 3.11Å; I229-G233 PolarHBondContact O-N 2.66Å; I229-C248 HydrophobicContact CD1-CB 4.17Å; I229-C248 HydrophobicContact CG1-CB 3.83Å; I229-A249 HydrophobicContact CD1-CB 4.41Å; I229-L252 HydrophobicContact CD1-CD2 4.09Å
230	T	82.1	Confident	80.8	Confident	31 Å²	31	43.7 Å²	43.7	19%	0.19	24%	0.238	C	C	.	.	H	α-helix	trans	-66.2	-44.4	178	-55.8	0	0	0	0	111.2	G226 V227 G232 G233 Y234	G226-T230 PolarHBondContact O-N 3.09Å; G226-T230 PolarHBondContact O-OG1 2.78Å; V227-T230 PolarHBondContact O-N 2.8Å; T230-G232 PolarHBondContact O-N 2.9Å; T230-G233 PolarHBondContact O-N 3.06Å; T230-Y234 HydrophobicContact CG2-CE2 4.07Å; T230-Y234 WeakPolarHBondContact O-CD2 3.3Å
231	Q	80	Confident	80.5	Confident	76 Å²	76	45.6 Å²	45.6	36%	0.355	25%	0.246	S	C	.	.	H	α-helix	trans	-60.4	-45.2	179.6	-77.7	179.6	-12.2	0	0	112.3	V227 G233 Y234 A237	V227-Q231 HydrophobicContact CG1-CG 4.06Å; V227-Q231 WeakPolarHBondContact O-CB 3Å; V227-Q231 VanDerWaalsContact O-CG 3.29Å; V227-Q231 WeakPolarHBondContact O-CG 3.12Å; V227-Q231 PolarHBondContact O-N 3.48Å; Q231-G233 PolarHBondContact O-N 2.85Å; Q231-G233 VanDerWaalsContact O-N 3.13Å; Q231-Y234 PolarHBondContact O-N 3.46Å; Q231-A237 VanDerWaalsContact O-CB 3.31Å; Q231-A237 WeakPolarHBondContact O-CB 3.48Å
232	G	75	Confident	79.8	Confident	2 Å²	2	47.1 Å²	47.1	2%	0.021	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	3.3	176.2	0	0	0	0	0	114.6	P228 T230 R488	P228-G232 PolarHBondContact O-N 2.73Å; T230-G232 PolarHBondContact O-N 2.9Å; G232-R488 PolarHBondContact O-NH1 3.29Å
233	G	72	Confident	79.4	Confident	11 Å²	11	47.5 Å²	47.5	11%	0.113	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-22.4	172.6	0	0	0	0	0	114	I229 T230 Q231 F498	I229-G233 PolarHBondContact O-N 2.66Å; T230-G233 PolarHBondContact O-N 3.06Å; Q231-G233 PolarHBondContact O-N 2.85Å; Q231-G233 VanDerWaalsContact O-N 3.13Å; G233-F498 VanDerWaalsContact O-O 3.13Å
234	Y	73.7	Confident	79.1	Confident	91 Å²	91	41 Å²	41	36%	0.357	23%	0.232	S	C	.	.	S	Bend	trans	-74.9	148.8	-178.8	-62	-66.6	0	0	0	112.4	T230 Q231 N236 A237	T230-Y234 HydrophobicContact CG2-CE2 4.07Å; T230-Y234 WeakPolarHBondContact O-CD2 3.3Å; Q231-Y234 PolarHBondContact O-N 3.46Å; Y234-N236 WeakPolarHBondContact CB-OD1 3.14Å; Y234-N236 PolarHBondContact O-N 2.78Å; Y234-A237 WeakPolarHBondContact O-CB 3.3Å; Y234-A237 PolarHBondContact O-N 2.93Å; Y234-A237 VanDerWaalsContact O-N 3.1Å
235	A	65.4	Low	78.9	Confident	50 Å²	50	39.3 Å²	39.3	41%	0.413	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.6	-179.8	0	0	0	0	0	113.7	A237 L499	A235-A237 VanDerWaalsContact C-N 3.33Å; A235-L499 VanDerWaalsContact CB-C 3.46Å; A235-L499 WeakPolarHBondContact CB-O 3.27Å; A235-L499 PolarHBondContact N-O 2.79Å
236	N	74.2	Confident	78.7	Confident	130 Å²	130	41.3 Å²	41.3	70%	0.695	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	5.3	175.8	66.3	-23.5	0	0	0	113.5	Y234	Y234-N236 WeakPolarHBondContact CB-OD1 3.14Å; Y234-N236 PolarHBondContact O-N 2.78Å
237	A	72.6	Confident	78.5	Confident	14 Å²	14	43.5 Å²	43.5	12%	0.116	24%	0.239	C	C	.	.			trans	-65	139.4	179.8	0	0	0	0	0	111.5	Q231 Y234 A235 Q241 V242	Q231-A237 VanDerWaalsContact O-CB 3.31Å; Q231-A237 WeakPolarHBondContact O-CB 3.48Å; Y234-A237 WeakPolarHBondContact O-CB 3.3Å; Y234-A237 PolarHBondContact O-N 2.93Å; Y234-A237 VanDerWaalsContact O-N 3.1Å; A235-A237 VanDerWaalsContact C-N 3.33Å; A237-Q241 HydrophobicContact CB-CB 4.29Å; A237-V242 HydrophobicContact CB-CG2 3.89Å
238	T	79.7	Confident	78.5	Confident	78 Å²	78	41.8 Å²	41.8	48%	0.479	23%	0.229	S	C	.	.			trans	-68.4	154.9	174.8	67.6	0	0	0	0	110.7	L240 Q241 V242	T238-L240 PolarHBondContact O-N 3.19Å; T238-L240 VanDerWaalsContact O-N 3.14Å; T238-Q241 WeakPolarHBondContact O-CB 3.32Å; T238-Q241 PolarHBondContact O-N 2.93Å; T238-Q241 WeakPolarHBondContact OG1-CG 3.44Å; T238-Q241 PolarHBondContact OG1-N 2.9Å; T238-Q241 PolarHBondContact OG1-OE1 2.88Å; T238-V242 WeakPolarHBondContact O-CG2 3.5Å; T238-V242 PolarHBondContact O-N 2.79Å
239	S	77.2	Confident	78.5	Confident	77 Å²	77	40.8 Å²	40.8	54%	0.538	22%	0.222	S	C	.	.	H	α-helix	trans	-54.1	-36.4	177.7	-54	0	0	0	0	112.4	V242 K243	S239-V242 PolarHBondContact O-N 3.12Å; S239-K243 WeakPolarHBondContact O-CG 3.34Å; S239-K243 PolarHBondContact O-N 2.73Å; S239-K243 VanDerWaalsContact O-N 3.11Å
240	L	80.3	Confident	78.5	Confident	54 Å²	54	43.3 Å²	43.3	28%	0.283	23%	0.234	S	C	.	.	H	α-helix	trans	-65.7	-43.1	175.1	-179.3	62.3	0	0	0	112.7	T238 V242 K243 T244 M670 E673 A674	T238-L240 PolarHBondContact O-N 3.19Å; T238-L240 VanDerWaalsContact O-N 3.14Å; L240-V242 VanDerWaalsContact C-N 3.32Å; L240-V242 PolarHBondContact O-N 3.16Å; L240-K243 PolarHBondContact O-N 2.95Å; L240-T244 WeakPolarHBondContact O-CB 3.43Å; L240-T244 PolarHBondContact O-N 3.41Å; L240-T244 PolarHBondContact O-OG1 3.26Å; L240-M670 HydrophobicContact CB-CE 4.47Å; L240-E673 HydrophobicContact CD1-CB 4.2Å; L240-E673 HydrophobicContact CD1-CG 4.21Å; L240-A674 HydrophobicContact CD1-CB 4.4Å
241	Q	81.5	Confident	78.5	Confident	67 Å²	67	44.2 Å²	44.2	31%	0.313	24%	0.237	S	C	.	.	H	α-helix	trans	-63.6	-39.4	177.3	-75.5	169.8	-27.7	0	0	111.6	A237 T238 T244 A245	A237-Q241 HydrophobicContact CB-CB 4.29Å; T238-Q241 WeakPolarHBondContact O-CB 3.32Å; T238-Q241 PolarHBondContact O-N 2.93Å; T238-Q241 WeakPolarHBondContact OG1-CG 3.44Å; T238-Q241 PolarHBondContact OG1-N 2.9Å; T238-Q241 PolarHBondContact OG1-OE1 2.88Å; Q241-T244 PolarHBondContact O-N 2.73Å; Q241-A245 VanDerWaalsContact O-CB 3.25Å; Q241-A245 WeakPolarHBondContact O-CB 3.43Å; Q241-A245 PolarHBondContact O-N 3.31Å
242	V	76.9	Confident	78.8	Confident	31 Å²	31	40.6 Å²	40.6	19%	0.188	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-45.8	177.1	177.3	0	0	0	0	111.1	A237 T238 S239 L240 A245 Y246 R488	A237-V242 HydrophobicContact CB-CG2 3.89Å; T238-V242 WeakPolarHBondContact O-CG2 3.5Å; T238-V242 PolarHBondContact O-N 2.79Å; S239-V242 PolarHBondContact O-N 3.12Å; L240-V242 VanDerWaalsContact C-N 3.32Å; L240-V242 PolarHBondContact O-N 3.16Å; V242-A245 PolarHBondContact O-N 3.33Å; V242-Y246 WeakPolarHBondContact O-CB 3.35Å; V242-Y246 PolarHBondContact O-N 3.34Å; V242-R488 PolarHBondContact O-NH2 2.78Å
243	K	79.4	Confident	79.2	Confident	37 Å²	37	45.5 Å²	45.5	16%	0.161	24%	0.238	C	C	.	.	H	α-helix	trans	-65.3	-42.8	176.5	-71.2	-176.1	-176.8	-179	0	111.7	S239 L240 A245 Y246 R247 D668 M670 A674	S239-K243 WeakPolarHBondContact O-CG 3.34Å; S239-K243 PolarHBondContact O-N 2.73Å; S239-K243 VanDerWaalsContact O-N 3.11Å; L240-K243 PolarHBondContact O-N 2.95Å; K243-A245 PolarHBondContact O-N 3.47Å; K243-Y246 WeakPolarHBondContact O-CB 3.47Å; K243-Y246 PolarHBondContact O-N 3.21Å; K243-R247 WeakPolarHBondContact O-CG 3.44Å; K243-R247 PolarHBondContact O-N 2.95Å; K243-D668 PolarHBondContact NZ-O 2.57Å; K243-D668 IonicContact NZ-OD2 3.57Å; K243-D668 PolarHBondContact NZ-OD2 3Å; K243-M670 HydrophobicContact CD-CB 4.22Å; K243-A674 HydrophobicContact CB-CB 3.64Å
244	T	81.9	Confident	79.8	Confident	10 Å²	10	50 Å²	50	6%	0.061	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-45.9	176.5	-55.5	0	0	0	0	110.9	P228 L240 Q241 Y246 R247 C248 I677	P228-T244 HydrophobicContact CB-CG2 4.33Å; L240-T244 WeakPolarHBondContact O-CB 3.43Å; L240-T244 PolarHBondContact O-N 3.41Å; L240-T244 PolarHBondContact O-OG1 3.26Å; Q241-T244 PolarHBondContact O-N 2.73Å; T244-Y246 VanDerWaalsContact C-N 3.33Å; T244-Y246 PolarHBondContact O-N 2.97Å; T244-R247 PolarHBondContact O-N 3.03Å; T244-C248 WeakPolarHBondContact O-CB 3.39Å; T244-C248 PolarHBondContact O-N 3.35Å; T244-C248 PolarHBondContact O-SG 3.35Å; T244-C248 VanDerWaalsContact O-SG 3.34Å; T244-I677 HydrophobicContact CG2-CB 4.04Å; T244-I677 HydrophobicContact CG2-CD1 4.44Å; T244-I677 HydrophobicContact CG2-CG2 3.59Å
245	A	82.1	Confident	80.3	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.1	-42.9	175.2	0	0	0	0	0	112.3	P228 Q241 V242 K243 C248 A249	P228-A245 WeakPolarHBondContact O-CB 3.24Å; Q241-A245 VanDerWaalsContact O-CB 3.25Å; Q241-A245 WeakPolarHBondContact O-CB 3.43Å; Q241-A245 PolarHBondContact O-N 3.31Å; V242-A245 PolarHBondContact O-N 3.33Å; K243-A245 PolarHBondContact O-N 3.47Å; A245-C248 PolarHBondContact O-N 3.26Å; A245-A249 VanDerWaalsContact O-CB 3.28Å; A245-A249 WeakPolarHBondContact O-CB 3.44Å; A245-A249 PolarHBondContact O-N 3.5Å
246	Y	81.5	Confident	81.3	Confident	46 Å²	46	45.8 Å²	45.8	18%	0.18	24%	0.238	C	C	.	.	H	α-helix	trans	-59.1	-51.3	175.4	175.6	-99.7	0	0	0	111.7	V242 K243 T244 C248 A249 Q250 P493 R494	V242-Y246 WeakPolarHBondContact O-CB 3.35Å; V242-Y246 PolarHBondContact O-N 3.34Å; K243-Y246 WeakPolarHBondContact O-CB 3.47Å; K243-Y246 PolarHBondContact O-N 3.21Å; T244-Y246 VanDerWaalsContact C-N 3.33Å; T244-Y246 PolarHBondContact O-N 2.97Å; Y246-C248 PolarHBondContact O-N 2.91Å; Y246-A249 PolarHBondContact O-N 3.49Å; Y246-Q250 HydrophobicContact CD1-CG 4.46Å; Y246-Q250 HydrophobicContact CE1-CG 4.13Å; Y246-Q250 HydrophobicContact CE2-CG 4.49Å; Y246-Q250 WeakPolarHBondContact O-CG 3.35Å; Y246-Q250 PolarHBondContact O-N 2.67Å; Y246-Q250 PolarHBondContact OH-NE2 2.83Å; Y246-P493 HydrophobicContact CD2-CB 3.59Å; Y246-P493 HydrophobicContact CD2-CG 4.18Å; Y246-P493 WeakPolarHBondContact CD2-O 2.81Å; Y246-P493 HydrophobicContact CE2-CB 3.49Å; Y246-P493 VanDerWaalsContact CE2-CB 3.49Å; Y246-P493 HydrophobicContact CE2-CG 3.55Å; Y246-R494 HydrophobicContact CD2-CG 4.45Å; Y246-R494 HydrophobicContact CE2-CG 3.62Å
247	R	81.2	Confident	81.8	Confident	49 Å²	49	43.1 Å²	43.1	19%	0.185	23%	0.229	C	C	.	.	H	α-helix	trans	-62.2	-44.1	178.5	-64.2	-56.5	-176.2	171.9	4.2	111.6	K243 T244 A249 Q250 L251 D671 A674 N675 A678	K243-R247 WeakPolarHBondContact O-CG 3.44Å; K243-R247 PolarHBondContact O-N 2.95Å; T244-R247 PolarHBondContact O-N 3.03Å; R247-A249 VanDerWaalsContact C-N 3.35Å; R247-A249 PolarHBondContact O-N 3.23Å; R247-Q250 PolarHBondContact O-N 2.71Å; R247-L251 VanDerWaalsContact O-CG 3.24Å; R247-L251 WeakPolarHBondContact O-CG 3.3Å; R247-L251 PolarHBondContact O-N 3.22Å; R247-D671 IonicContact CZ-OD1 3.68Å; R247-D671 IonicContact CZ-OD2 2.94Å; R247-D671 IonicContact NE-OD1 3.6Å; R247-D671 PolarHBondContact NE-OD1 3.41Å; R247-D671 IonicContact NH2-OD1 3.48Å; R247-D671 PolarHBondContact NH2-OD1 3.05Å; R247-D671 IonicContact NH2-OD2 3.46Å; R247-D671 PolarHBondContact NH2-OD2 3.13Å; R247-A674 HydrophobicContact CG-CB 4.27Å; R247-N675 WeakPolarHBondContact CD-OD1 3.46Å; R247-N675 WeakPolarHBondContact CG-OD1 3.36Å; R247-N675 PolarHBondContact NE-OD1 3.09Å; R247-N675 VanDerWaalsContact NE-OD1 3.17Å; R247-A678 HydrophobicContact CB-CB 3.67Å
248	C	84.9	Confident	82.5	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-41	175.3	-72.1	0	0	0	0	112.5	L225 I229 T244 A245 Y246 L251 L252	L225-C248 HydrophobicContact CD2-CB 3.97Å; I229-C248 HydrophobicContact CD1-CB 4.17Å; I229-C248 HydrophobicContact CG1-CB 3.83Å; T244-C248 WeakPolarHBondContact O-CB 3.39Å; T244-C248 PolarHBondContact O-N 3.35Å; T244-C248 PolarHBondContact O-SG 3.35Å; T244-C248 VanDerWaalsContact O-SG 3.34Å; A245-C248 PolarHBondContact O-N 3.26Å; Y246-C248 PolarHBondContact O-N 2.91Å; C248-L251 PolarHBondContact O-N 2.9Å; C248-L252 WeakPolarHBondContact O-CB 3.44Å; C248-L252 PolarHBondContact O-N 3.22Å
249	A	83.4	Confident	82.9	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-66.1	-42.2	176.9	0	0	0	0	0	112.2	I229 A245 Y246 R247 L252 R253	I229-A249 HydrophobicContact CD1-CB 4.41Å; A245-A249 VanDerWaalsContact O-CB 3.28Å; A245-A249 WeakPolarHBondContact O-CB 3.44Å; A245-A249 PolarHBondContact O-N 3.5Å; Y246-A249 PolarHBondContact O-N 3.49Å; R247-A249 VanDerWaalsContact C-N 3.35Å; R247-A249 PolarHBondContact O-N 3.23Å; A249-L252 PolarHBondContact O-N 3.3Å; A249-R253 WeakPolarHBondContact O-CB 3.36Å; A249-R253 PolarHBondContact O-N 3.25Å
250	Q	82.9	Confident	83.5	Confident	54 Å²	54	40 Å²	40	25%	0.252	21%	0.206	S	C	.	.	H	α-helix	trans	-58	-49.4	173.7	-74.3	-176.2	-41	0	0	111.4	Y246 R247 L252 R253 T254 P493	Y246-Q250 HydrophobicContact CD1-CG 4.46Å; Y246-Q250 HydrophobicContact CE1-CG 4.13Å; Y246-Q250 HydrophobicContact CE2-CG 4.49Å; Y246-Q250 WeakPolarHBondContact O-CG 3.35Å; Y246-Q250 PolarHBondContact O-N 2.67Å; Y246-Q250 PolarHBondContact OH-NE2 2.83Å; R247-Q250 PolarHBondContact O-N 2.71Å; Q250-L252 VanDerWaalsContact C-N 3.33Å; Q250-L252 PolarHBondContact O-N 3.25Å; Q250-R253 WeakPolarHBondContact O-CB 3.47Å; Q250-R253 PolarHBondContact O-N 2.79Å; Q250-T254 PolarHBondContact O-N 2.85Å; Q250-T254 PolarHBondContact O-OG1 3.25Å; Q250-T254 VanDerWaalsContact O-OG1 3.07Å; Q250-P493 HydrophobicContact CG-CB 4.33Å; Q250-P493 HydrophobicContact CG-CG 4.03Å
251	L	82.7	Confident	83.9	Confident	51 Å²	51	39.1 Å²	39.1	27%	0.267	20%	0.202	S	C	.	.	H	α-helix	trans	-61.5	-41.4	179.5	-71.5	173	0	0	0	112.5	R247 C248 T254 K255 A678 I682	R247-L251 VanDerWaalsContact O-CG 3.24Å; R247-L251 WeakPolarHBondContact O-CG 3.3Å; R247-L251 PolarHBondContact O-N 3.22Å; C248-L251 PolarHBondContact O-N 2.9Å; L251-T254 PolarHBondContact O-N 3.24Å; L251-K255 PolarHBondContact O-N 3.22Å; L251-A678 HydrophobicContact CD1-CB 3.56Å; L251-A678 WeakPolarHBondContact CD1-O 3.46Å; L251-I682 HydrophobicContact CB-CD1 3.98Å; L251-I682 HydrophobicContact CD1-CD1 3.58Å; L251-I682 HydrophobicContact CD1-CG1 4.11Å; L251-I682 HydrophobicContact CD2-CD1 3.6Å; L251-I682 HydrophobicContact CG-CD1 3.89Å
252	L	85.7	Confident	84.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.4	-45	175.7	-178.1	58.6	0	0	0	111	L200 L203 L215 F221 L225 I229 C248 A249 Q250 K255 I256 V489	L200-L252 HydrophobicContact CD2-CD2 3.88Å; L203-L252 HydrophobicContact CD2-CD2 4.08Å; L203-L252 HydrophobicContact CD2-CG 4.49Å; L215-L252 HydrophobicContact CD1-CD1 4.42Å; L215-L252 HydrophobicContact CD2-CD1 3.9Å; F221-L252 HydrophobicContact CE2-CD1 3.85Å; F221-L252 HydrophobicContact CZ-CD1 4.39Å; F221-L252 HydrophobicContact CZ-CD2 4.4Å; L225-L252 HydrophobicContact CD1-CD1 4.12Å; I229-L252 HydrophobicContact CD1-CD2 4.09Å; C248-L252 WeakPolarHBondContact O-CB 3.44Å; C248-L252 PolarHBondContact O-N 3.22Å; A249-L252 PolarHBondContact O-N 3.3Å; Q250-L252 VanDerWaalsContact C-N 3.33Å; Q250-L252 PolarHBondContact O-N 3.25Å; L252-K255 PolarHBondContact O-N 2.6Å; L252-I256 HydrophobicContact CD1-CD1 3.48Å; L252-I256 VanDerWaalsContact CD1-CD1 3.48Å; L252-I256 HydrophobicContact CD1-CG1 4.16Å; L252-I256 HydrophobicContact CG-CD1 3.79Å; L252-I256 WeakPolarHBondContact O-CG1 3.48Å; L252-I256 PolarHBondContact O-N 2.91Å; L252-V489 HydrophobicContact CD2-CG1 4.14Å
253	R	83.8	Confident	84.7	Confident	105 Å²	105	39.2 Å²	39.2	40%	0.396	20%	0.196	S	C	.	.	H	α-helix	trans	-60	-48.2	176.4	-177.7	179.6	174.9	173.8	3.8	111.5	A249 Q250 K255 I256 S257 K491	A249-R253 WeakPolarHBondContact O-CB 3.36Å; A249-R253 PolarHBondContact O-N 3.25Å; Q250-R253 WeakPolarHBondContact O-CB 3.47Å; Q250-R253 PolarHBondContact O-N 2.79Å; R253-K255 PolarHBondContact O-N 3.09Å; R253-I256 PolarHBondContact O-N 2.89Å; R253-I256 VanDerWaalsContact O-N 3.15Å; R253-S257 WeakPolarHBondContact O-CB 3.33Å; R253-S257 PolarHBondContact O-N 2.94Å; R253-K491 PolarHBondContact NH1-O 3.28Å
254	T	84.3	Confident	84.9	Confident	105 Å²	105	38.5 Å²	38.5	64%	0.644	19%	0.194	S	C	*	.	H	α-helix	trans	-57.1	-36.9	178.1	-56	0	0	0	0	112	Q250 L251	Q250-T254 PolarHBondContact O-N 2.85Å; Q250-T254 PolarHBondContact O-OG1 3.25Å; Q250-T254 VanDerWaalsContact O-OG1 3.07Å; L251-T254 PolarHBondContact O-N 3.24Å
255	K	84.5	Confident	84.8	Confident	47 Å²	47	38 Å²	38	20%	0.204	19%	0.191	C	C	.	.	H	α-helix	trans	-73.5	-35.8	177.5	-79.4	-166.5	171.8	-175.3	0	114.2	L251 L252 R253	L251-K255 PolarHBondContact O-N 3.22Å; L252-K255 PolarHBondContact O-N 2.6Å; R253-K255 PolarHBondContact O-N 3.09Å
256	I	86.4	Confident	84.5	Confident	6 Å²	6	43.6 Å²	43.6	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-87.4	-27.3	-174.4	-65.6	174.9	0	0	0	111.6	L203 M207 L215 L252 R253 P258 C259 L260	L203-I256 HydrophobicContact CD1-CD1 4.07Å; L203-I256 HydrophobicContact CD2-CD1 3.41Å; L203-I256 VanDerWaalsContact CD2-CD1 3.41Å; L203-I256 HydrophobicContact CG-CD1 3.88Å; M207-I256 HydrophobicContact CE-CG1 4.28Å; M207-I256 HydrophobicContact CE-CG2 4.08Å; M207-I256 HydrophobicContact CG-CD1 4.22Å; M207-I256 HydrophobicContact CG-CG1 4.35Å; M207-I256 HydrophobicContact SD-CG1 4.43Å; M207-I256 HydrophobicContact SD-CG2 3.84Å; L215-I256 HydrophobicContact CD1-CD1 4.34Å; L252-I256 HydrophobicContact CD1-CD1 3.48Å; L252-I256 VanDerWaalsContact CD1-CD1 3.48Å; L252-I256 HydrophobicContact CD1-CG1 4.16Å; L252-I256 HydrophobicContact CG-CD1 3.79Å; L252-I256 WeakPolarHBondContact O-CG1 3.48Å; L252-I256 PolarHBondContact O-N 2.91Å; R253-I256 PolarHBondContact O-N 2.89Å; R253-I256 VanDerWaalsContact O-N 3.15Å; I256-P258 VanDerWaalsContact C-CD 3.41Å; I256-P258 VanDerWaalsContact C-N 3.33Å; I256-C259 PolarHBondContact O-N 3.14Å; I256-L260 HydrophobicContact CG2-CB 3.82Å; I256-L260 HydrophobicContact CG2-CD2 3.99Å; I256-L260 PolarHBondContact O-N 3.46Å; I256-L260 VanDerWaalsContact O-N 3.14Å
257	S	85.2	Confident	84.3	Confident	73 Å²	73	47.4 Å²	47.4	51%	0.51	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-49.6	-41.8	-175.5	-163.1	0	0	0	0	114.8	R253 C259 L260	R253-S257 WeakPolarHBondContact O-CB 3.33Å; R253-S257 PolarHBondContact O-N 2.94Å; S257-C259 VanDerWaalsContact C-N 3.26Å; S257-C259 PolarHBondContact O-N 2.88Å; S257-L260 PolarHBondContact O-N 3.48Å
258	P	86.7	Confident	84.1	Confident	76 Å²	76	45.6 Å²	45.6	49%	0.494	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-65.2	-29.5	179.3	-22.8	35.1	0	0	0	113.5	W44 I256	W44-P258 WeakPolarHBondContact CZ2-O 3.36Å; I256-P258 VanDerWaalsContact C-CD 3.41Å; I256-P258 VanDerWaalsContact C-N 3.33Å
259	C	87.7	Confident	83.1	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.034	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-99.2	-2.1	-175.8	-61.9	0	0	0	0	113.4	G55 I56 M207 I256 S257	G55-C259 CarbonylContact C-O 3.56Å; G55-C259 WeakPolarHBondContact CA-O 3.41Å; I56-C259 PolarHBondContact N-O 2.96Å; M207-C259 HydrophobicContact CE-CB 3.77Å; I256-C259 PolarHBondContact O-N 3.14Å; S257-C259 VanDerWaalsContact C-N 3.26Å; S257-C259 PolarHBondContact O-N 2.88Å
260	L	89.7	Confident	82.2	Confident	23 Å²	23	52.3 Å²	52.3	12%	0.12	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	106.8	-177.4	175.8	65.7	0	0	0	109.7	I56 P195 I256 S257 L490	I56-L260 HydrophobicContact CB-CD1 3.67Å; I56-L260 HydrophobicContact CG2-CD1 3.58Å; P195-L260 HydrophobicContact CB-CD1 4.37Å; P195-L260 HydrophobicContact CG-CD1 4.29Å; I256-L260 HydrophobicContact CG2-CB 3.82Å; I256-L260 HydrophobicContact CG2-CD2 3.99Å; I256-L260 PolarHBondContact O-N 3.46Å; I256-L260 VanDerWaalsContact O-N 3.14Å; S257-L260 PolarHBondContact O-N 3.48Å; L260-L490 HydrophobicContact CD2-CD2 3.65Å
261	L	90	Very high	81.2	Confident	36 Å²	36	52.5 Å²	52.5	19%	0.188	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	118.7	168.1	-178	64.3	0	0	0	108.6	W44 I56 L57 G58	W44-L261 HydrophobicContact CB-CD2 4.08Å; W44-L261 HydrophobicContact CD2-CB 3.73Å; W44-L261 HydrophobicContact CD2-CD2 3.84Å; W44-L261 HydrophobicContact CD2-CG 4.33Å; W44-L261 HydrophobicContact CE3-CB 3.68Å; W44-L261 HydrophobicContact CE3-CD2 3.75Å; W44-L261 HydrophobicContact CE3-CG 4.37Å; W44-L261 HydrophobicContact CG-CB 4.49Å; W44-L261 HydrophobicContact CG-CD2 4Å; W44-L261 HydrophobicContact CH2-CB 3.67Å; W44-L261 HydrophobicContact CZ2-CB 3.72Å; W44-L261 HydrophobicContact CZ3-CB 3.66Å; W44-L261 HydrophobicContact CZ3-CD2 4.45Å; I56-L261 PolarHBondContact O-N 3.15Å; L57-L261 HydrophobicContact CD1-CD2 4.07Å; G58-L261 VanDerWaalsContact CA-O 3.29Å; G58-L261 WeakPolarHBondContact CA-O 3.02Å; G58-L261 PolarHBondContact N-O 3.31Å
262	R	87.9	Confident	80.5	Confident	68 Å²	68	50.4 Å²	50.4	26%	0.257	28%	0.28	S	S	.	.			trans	-137.6	116.4	176.3	171.8	169.1	-175.8	-172.5	2.5	109.6	G58	G58-R262 WeakPolarHBondContact O-CG 3.4Å
263	R	86.9	Confident	79.8	Confident	31 Å²	31	58 Å²	58	12%	0.117	32%	0.321	C	S	.	.			trans	-112.7	145.4	170.2	-64.7	164.1	-70.8	-165.7	5.9	111.1	Y37 D59 E60 E267 V268	Y37-R263 PolarHBondContact O-NH1 2.89Å; Y37-R263 PolarHBondContact O-NH2 3.21Å; D59-R263 WeakPolarHBondContact OD1-CB 3.4Å; D59-R263 IonicContact OD1-CZ 3.76Å; D59-R263 PolarHBondContact OD1-N 3.37Å; D59-R263 IonicContact OD1-NE 3.03Å; D59-R263 PolarHBondContact OD1-NE 3.02Å; D59-R263 IonicContact OD1-NH2 2.95Å; D59-R263 IonicContact OD2-CZ 3.69Å; D59-R263 IonicContact OD2-NE 2.77Å; D59-R263 PolarHBondContact OD2-NE 2.93Å; D59-R263 IonicContact OD2-NH2 2.68Å; D59-R263 PolarHBondContact OD2-NH2 3Å; E60-R263 PolarHBondContact N-O 2.6Å; R263-E267 WeakPolarHBondContact CA-OE2 3.46Å; R263-V268 HydrophobicContact CB-CG2 4.04Å
264	L	83.1	Confident	79.6	Confident	22 Å²	22	54.4 Å²	54.4	12%	0.115	31%	0.309	C	S	.	.			trans	-98.5	152.6	175.1	-56	175.2	0	0	0	110	N266 E267 V268	L264-N266 PolarHBondContact O-N 2.71Å; L264-E267 HydrophobicContact CB-CG 4.09Å; L264-E267 PolarHBondContact N-OE2 3.06Å; L264-E267 WeakPolarHBondContact O-CB 3.43Å; L264-E267 PolarHBondContact O-N 3.14Å; L264-V268 WeakPolarHBondContact O-CG2 3.08Å; L264-V268 PolarHBondContact O-N 3.48Å
265	K	80.5	Confident	79.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-54.8	-43.6	174.9	-76.5	168.2	168.4	177.8	0	111.5	E60 M61 L63 E267 V268 N269 L274 E449 W452	E60-K265 HydrophobicContact CG-CD 4.35Å; E60-K265 HydrophobicContact CG-CG 4.39Å; E60-K265 WeakPolarHBondContact OE2-CB 3.28Å; E60-K265 WeakPolarHBondContact OE2-CG 3.48Å; E60-K265 PolarHBondContact OE2-N 3.44Å; M61-K265 WeakPolarHBondContact O-CE 3.36Å; M61-K265 PolarHBondContact O-NZ 2.97Å; L63-K265 HydrophobicContact CD1-CG 4.5Å; L63-K265 HydrophobicContact CD2-CG 3.81Å; L63-K265 HydrophobicContact CG-CG 4.16Å; K265-E267 PolarHBondContact O-N 3.23Å; K265-E267 VanDerWaalsContact O-N 3.11Å; K265-V268 CarbonylContact O-C 2.94Å; K265-V268 WeakPolarHBondContact O-CA 3.38Å; K265-V268 PolarHBondContact O-N 3.19Å; K265-N269 VanDerWaalsContact C-OD1 3.3Å; K265-N269 PolarHBondContact O-N 3.11Å; K265-N269 PolarHBondContact O-OD1 3.15Å; K265-L274 HydrophobicContact CB-CD1 4.46Å; K265-L274 HydrophobicContact CD-CD1 3.83Å; K265-L274 HydrophobicContact CG-CD1 4.04Å; K265-E449 IonicContact NZ-OE2 3.37Å; K265-E449 PolarHBondContact NZ-OE2 3Å; K265-W452 HydrophobicContact CB-CH2 3.96Å; K265-W452 HydrophobicContact CB-CZ3 4.4Å; K265-W452 HydrophobicContact CD-CD2 4.39Å; K265-W452 HydrophobicContact CD-CE3 3.75Å; K265-W452 HydrophobicContact CD-CH2 3.53Å; K265-W452 HydrophobicContact CD-CZ2 4.15Å; K265-W452 HydrophobicContact CD-CZ3 3.3Å; K265-W452 HydrophobicContact CG-CH2 4.43Å; K265-W452 HydrophobicContact CG-CZ3 4.49Å; K265-W452 PolarHBondContact NZ-O 2.88Å
266	N	76.6	Confident	79.5	Confident	117 Å²	117	53.2 Å²	53.2	63%	0.626	30%	0.302	S	S	*	.	H	α-helix	trans	-57.9	-29	178.3	-59.1	8.2	0	0	0	113.4	L264 V268	L264-N266 PolarHBondContact O-N 2.71Å; N266-V268 VanDerWaalsContact C-N 3.33Å
267	E	76.5	Confident	79.5	Confident	126 Å²	126	55.3 Å²	55.3	59%	0.589	31%	0.311	S	S	*	.	H	α-helix	trans	-80.6	-17.5	177.1	-62.1	166.2	174.3	0	0	112.3	R263 L264 K265	R263-E267 WeakPolarHBondContact CA-OE2 3.46Å; L264-E267 HydrophobicContact CB-CG 4.09Å; L264-E267 PolarHBondContact N-OE2 3.06Å; L264-E267 WeakPolarHBondContact O-CB 3.43Å; L264-E267 PolarHBondContact O-N 3.14Å; K265-E267 PolarHBondContact O-N 3.23Å; K265-E267 VanDerWaalsContact O-N 3.11Å
268	V	76.2	Confident	79.3	Confident	11 Å²	11	53.5 Å²	53.5	7%	0.067	30%	0.298	C	S	.	.	H	α-helix	trans	-118.7	5.6	-172.2	-170.4	0	0	0	0	111.4	Y37 R263 L264 K265 N266 G270 D271 V272	Y37-V268 HydrophobicContact CD1-CG1 3.12Å; Y37-V268 HydrophobicContact CD2-CG1 4.09Å; Y37-V268 HydrophobicContact CE1-CG1 3.62Å; Y37-V268 HydrophobicContact CG-CG1 3.38Å; Y37-V268 HydrophobicContact CG-CG2 4.45Å; R263-V268 HydrophobicContact CB-CG2 4.04Å; L264-V268 WeakPolarHBondContact O-CG2 3.08Å; L264-V268 PolarHBondContact O-N 3.48Å; K265-V268 CarbonylContact O-C 2.94Å; K265-V268 WeakPolarHBondContact O-CA 3.38Å; K265-V268 PolarHBondContact O-N 3.19Å; N266-V268 VanDerWaalsContact C-N 3.33Å; V268-G270 PolarHBondContact O-N 3.26Å; V268-D271 HydrophobicContact CG1-CB 4.09Å; V268-D271 PolarHBondContact O-N 3.14Å; V268-V272 HydrophobicContact CG1-CG2 3.89Å; V268-V272 PolarHBondContact O-N 3.49Å
269	N	64.8	Low	79.3	Confident	68 Å²	68	50.1 Å²	50.1	36%	0.364	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-25.3	-177.1	-82.8	-8.1	0	0	0	113.3	K265 D271 V272	K265-N269 VanDerWaalsContact C-OD1 3.3Å; K265-N269 PolarHBondContact O-N 3.11Å; K265-N269 PolarHBondContact O-OD1 3.15Å; N269-D271 VanDerWaalsContact C-N 3.3Å; N269-D271 PolarHBondContact O-N 3.32Å; N269-V272 CarbonylContact O-C 3.58Å
270	G	64.2	Low	79.2	Confident	75 Å²	75	51.2 Å²	51.2	77%	0.773	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-32.7	174.2	0	0	0	0	0	113.8	V268	V268-G270 PolarHBondContact O-N 3.26Å
271	D	62.2	Low	79	Confident	57 Å²	57	50.1 Å²	50.1	31%	0.305	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-32.9	177.3	-67.3	-15.6	0	0	0	111.6	Y37 V268 N269	Y37-D271 HydrophobicContact CD1-CB 4.06Å; Y37-D271 PolarHBondContact N-OD2 3.39Å; V268-D271 HydrophobicContact CG1-CB 4.09Å; V268-D271 PolarHBondContact O-N 3.14Å; N269-D271 VanDerWaalsContact C-N 3.3Å; N269-D271 PolarHBondContact O-N 3.32Å
272	V	67.6	Low	78.7	Confident	8 Å²	8	48.4 Å²	48.4	5%	0.048	27%	0.265	C	S	.	.	S	Bend	trans	-112.1	88.7	-172.9	-172.1	0	0	0	0	107.5	L35 Y37 L63 V268 N269 L274 I454	L35-V272 HydrophobicContact CD1-CG2 3.99Å; Y37-V272 HydrophobicContact CD1-CG2 4.32Å; Y37-V272 HydrophobicContact CE1-CG2 3.51Å; L63-V272 HydrophobicContact CD2-CG2 4.31Å; V268-V272 HydrophobicContact CG1-CG2 3.89Å; V268-V272 PolarHBondContact O-N 3.49Å; N269-V272 CarbonylContact O-C 3.58Å; V272-L274 HydrophobicContact CB-CD1 4.37Å; V272-L274 HydrophobicContact CG1-CB 4.5Å; V272-L274 HydrophobicContact CG1-CD1 3.35Å; V272-L274 HydrophobicContact CG1-CG 3.63Å; V272-L274 PolarHBondContact O-N 3.19Å; V272-I454 HydrophobicContact CG1-CD1 4.23Å; V272-I454 HydrophobicContact CG1-CG1 3.93Å
273	N	72.2	Confident	78.6	Confident	159 Å²	159	45.1 Å²	45.1	85%	0.85	25%	0.253	S	S	*	.			trans	-64.8	68.5	174.1	-79	-29	0	0	0	111.4
274	L	79.4	Confident	78.6	Confident	29 Å²	29	43.7 Å²	43.7	15%	0.152	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-84.3	141.2	174.6	-86.7	155.1	0	0	0	109.7	K265 V272	K265-L274 HydrophobicContact CB-CD1 4.46Å; K265-L274 HydrophobicContact CD-CD1 3.83Å; K265-L274 HydrophobicContact CG-CD1 4.04Å; V272-L274 HydrophobicContact CB-CD1 4.37Å; V272-L274 HydrophobicContact CG1-CB 4.5Å; V272-L274 HydrophobicContact CG1-CD1 3.35Å; V272-L274 HydrophobicContact CG1-CG 3.63Å; V272-L274 PolarHBondContact O-N 3.19Å
275	P	82.3	Confident	78.6	Confident	22 Å²	22	45.4 Å²	45.4	14%	0.143	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-68.2	165.1	171.8	29.7	-33	0	0	0	110.9	W452 Q456 R458 D459	P275-W452 PolarHBondContact O-NE1 3.43Å; P275-Q456 WeakPolarHBondContact CD-O 3.32Å; P275-Q456 HydrophobicContact CG-CB 4.27Å; P275-Q456 HydrophobicContact CG-CG 3.76Å; P275-R458 WeakPolarHBondContact CG-O 3.49Å; P275-D459 VanDerWaalsContact CB-OD1 3.31Å; P275-D459 WeakPolarHBondContact CB-OD1 3.35Å
276	L	83.5	Confident	78.8	Confident	106 Å²	106	45.9 Å²	45.9	56%	0.555	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-66.9	144.6	-174.5	-67.6	170.9	0	0	0	110.8	D459 V460	L276-D459 PolarHBondContact N-OD1 3.28Å; L276-D459 CarbonylContact O-C 3.59Å; L276-D459 WeakPolarHBondContact O-CA 3.44Å; L276-V460 PolarHBondContact O-N 2.94Å
277	K	85.9	Confident	79.3	Confident	50 Å²	50	41.9 Å²	41.9	22%	0.217	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	133	170.7	173.4	-178.9	168.8	-176.7	0	108.8	Q448 E449 W452 V460	K277-Q448 VanDerWaalsContact NZ-OE1 3.11Å; K277-E449 IonicContact NZ-OE1 3.31Å; K277-E449 PolarHBondContact NZ-OE1 3.5Å; K277-W452 HydrophobicContact CB-CD2 3.77Å; K277-W452 HydrophobicContact CB-CE3 4.23Å; K277-W452 HydrophobicContact CB-CG 4.12Å; K277-W452 HydrophobicContact CB-CH2 4.31Å; K277-W452 HydrophobicContact CB-CZ2 3.9Å; K277-W452 HydrophobicContact CB-CZ3 4.46Å; K277-W452 HydrophobicContact CD-CB 4.36Å; K277-W452 HydrophobicContact CD-CD2 3.61Å; K277-W452 HydrophobicContact CD-CE3 3.33Å; K277-W452 HydrophobicContact CD-CG 4.08Å; K277-W452 HydrophobicContact CD-CH2 4.38Å; K277-W452 HydrophobicContact CD-CZ3 3.74Å; K277-W452 HydrophobicContact CG-CD2 4.25Å; K277-W452 HydrophobicContact CG-CE3 4.38Å; K277-V460 VanDerWaalsContact CA-O 3.31Å; K277-V460 WeakPolarHBondContact CA-O 3.46Å
278	S	82	Confident	79.8	Confident	35 Å²	35	41.4 Å²	41.4	25%	0.245	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129	172.9	37.7	0	0	0	0	110.2	V460 L461 V462	S278-V460 PolarHBondContact N-O 3.08Å; S278-V460 VanDerWaalsContact N-O 3.12Å; S278-L461 WeakPolarHBondContact OG-CD1 3.39Å; S278-V462 PolarHBondContact O-N 2.93Å
279	D	86.4	Confident	80.2	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	116.7	178.2	-168.5	-9.6	0	0	0	110.7	V462 R464 H656	D279-V462 HydrophobicContact CB-CB 4.31Å; D279-R464 IonicContact OD1-NE 3.23Å; D279-R464 PolarHBondContact OD1-NE 3.09Å; D279-R464 VanDerWaalsContact OD1-NE 3.14Å; D279-R464 IonicContact OD2-CZ 3.9Å; D279-R464 VanDerWaalsContact OD2-CZ 3.31Å; D279-R464 IonicContact OD2-NE 2.72Å; D279-R464 PolarHBondContact OD2-NE 3.14Å; D279-R464 IonicContact OD2-NH2 2.84Å; D279-R464 PolarHBondContact OD2-NH2 3.38Å; D279-H656 HydrophobicContact CB-CB 4.02Å; D279-H656 PolarHBondContact O-N 2.99Å; D279-H656 IonicContact OD2-CD2 2.92Å; D279-H656 PolarHBondContact OD2-CD2 3.34Å; D279-H656 IonicContact OD2-CG 3.9Å
280	H	84.7	Confident	81.4	Confident	28 Å²	28	42 Å²	42	13%	0.13	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139.1	-179	-60.6	-65.8	0	0	0	111.4	V462 F463 R464	H280-V462 PolarHBondContact N-O 2.99Å; H280-F463 HydrophobicContact CB-CD1 3.7Å; H280-F463 HydrophobicContact CB-CE1 3.64Å; H280-F463 AromaticContact CD2-CE1 3.98Å; H280-F463 CarbonylContact O-C 3.21Å; H280-F463 WeakPolarHBondContact O-CA 2.94Å; H280-R464 PolarHBondContact O-N 3.06Å
281	V	85.7	Confident	82.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.7	173.8	-176.3	0	0	0	0	109.4	F283 R464 I466 Y476 A653 L654 H656	V281-F283 HydrophobicContact CB-CE2 4.39Å; V281-F283 HydrophobicContact CG1-CD2 4.31Å; V281-F283 HydrophobicContact CG1-CE2 3.73Å; V281-F283 HydrophobicContact CG1-CZ 3.87Å; V281-R464 HydrophobicContact CG2-CB 4.26Å; V281-I466 HydrophobicContact CG1-CB 4.44Å; V281-I466 HydrophobicContact CG1-CD1 3.38Å; V281-I466 HydrophobicContact CG1-CG1 3.88Å; V281-Y476 HydrophobicContact CG1-CE1 4.38Å; V281-Y476 HydrophobicContact CG2-CE2 4.14Å; V281-Y476 VanDerWaalsContact CG2-OH 3.31Å; V281-Y476 WeakPolarHBondContact CG2-OH 3.3Å; V281-A653 VanDerWaalsContact O-CA 3.24Å; V281-A653 WeakPolarHBondContact O-CA 3.29Å; V281-L654 PolarHBondContact N-O 3.18Å; V281-L654 PolarHBondContact O-N 3.39Å; V281-H656 HydrophobicContact CG2-CB 4.04Å
282	L	85	Confident	83.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.6	176.2	-60.8	180	0	0	0	109.5	V346 M350 F463 R464 L465 I466 L626 A653	L282-V346 HydrophobicContact CD1-CG1 4.29Å; L282-M350 HydrophobicContact CD1-CE 4.14Å; L282-M350 HydrophobicContact CD1-SD 3.98Å; L282-F463 HydrophobicContact CD1-CB 4.39Å; L282-F463 HydrophobicContact CD1-CD1 3.53Å; L282-F463 HydrophobicContact CD1-CE1 4.01Å; L282-F463 HydrophobicContact CD1-CG 4.15Å; L282-F463 HydrophobicContact CD2-CD1 4.12Å; L282-F463 HydrophobicContact CD2-CE1 4.11Å; L282-F463 HydrophobicContact CG-CD1 3.67Å; L282-F463 HydrophobicContact CG-CE1 4.16Å; L282-R464 PolarHBondContact N-O 2.64Å; L282-L465 HydrophobicContact CB-CD2 3.96Å; L282-L465 HydrophobicContact CD1-CD2 3.84Å; L282-L465 HydrophobicContact CG-CD2 4.41Å; L282-I466 PolarHBondContact O-N 3.06Å; L282-L626 HydrophobicContact CD2-CD1 3.65Å; L282-A653 HydrophobicContact CD2-CB 3.7Å
283	F	85.3	Confident	84.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	110.1	173.8	-68.7	-86.7	0	0	0	109.6	V281 I466 E473 Y476 N516 T518 I650 D651 S652 L654	V281-F283 HydrophobicContact CB-CE2 4.39Å; V281-F283 HydrophobicContact CG1-CD2 4.31Å; V281-F283 HydrophobicContact CG1-CE2 3.73Å; V281-F283 HydrophobicContact CG1-CZ 3.87Å; F283-I466 CarbonylContact C-O 3.55Å; F283-I466 VanDerWaalsContact CA-O 3.23Å; F283-I466 WeakPolarHBondContact CA-O 3.42Å; F283-I466 HydrophobicContact CD1-CB 4.37Å; F283-I466 HydrophobicContact CD1-CG2 4.32Å; F283-I466 HydrophobicContact CE1-CB 4.4Å; F283-I466 HydrophobicContact CE1-CG2 4.15Å; F283-E473 HydrophobicContact CE1-CG 4.31Å; F283-Y476 HydrophobicContact CZ-CE1 4.47Å; F283-N516 VanDerWaalsContact CB-ND2 3.34Å; F283-N516 WeakPolarHBondContact CB-ND2 3.38Å; F283-N516 WeakPolarHBondContact CG-ND2 3.46Å; F283-T518 HydrophobicContact CE2-CG2 4.47Å; F283-T518 HydrophobicContact CZ-CG2 3.74Å; F283-I650 CarbonylContact O-C 3.57Å; F283-I650 WeakPolarHBondContact O-CA 3.24Å; F283-D651 HydrophobicContact CB-CB 4.08Å; F283-D651 WeakPolarHBondContact O-CB 3.36Å; F283-D651 PolarHBondContact O-N 2.91Å; F283-S652 WeakPolarHBondContact CB-OG 2.92Å; F283-S652 WeakPolarHBondContact CD2-OG 3.3Å; F283-S652 WeakPolarHBondContact CG-OG 3.32Å; F283-S652 PolarHBondContact N-O 3.14Å; F283-L654 HydrophobicContact CE2-CD1 3.9Å; F283-L654 HydrophobicContact CE2-CG 4.27Å
284	C	85.7	Confident	85.6	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	134.5	177.5	-56.4	0	0	0	0	109.8	K343 I466 T467 S468	C284-K343 HydrophobicContact CB-CG 4.03Å; C284-I466 PolarHBondContact N-O 3.21Å; C284-T467 CarbonylContact O-C 3.56Å; C284-T467 VanDerWaalsContact O-CA 3.28Å; C284-T467 WeakPolarHBondContact O-CA 3.41Å; C284-S468 PolarHBondContact O-N 3.31Å
285	Q	83.9	Confident	86.1	Confident	58 Å²	58	35.7 Å²	35.7	27%	0.271	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-78.3	143.8	171.6	-63.4	-172.7	-7.6	0	0	110.4	A649 D651	Q285-A649 PolarHBondContact N-O 3.45Å; Q285-D651 HydrophobicContact CG-CB 3.74Å; Q285-D651 PolarHBondContact NE2-OD1 2.82Å
286	L	85.7	Confident	86.4	Confident	11 Å²	11	39.7 Å²	39.7	6%	0.058	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-65	141.8	167.2	-72.8	-179.1	0	0	0	110.2	Q290 K291 Y294 T467 T470 F510	L286-Q290 HydrophobicContact CB-CB 4.06Å; L286-Q290 HydrophobicContact CD2-CB 3.81Å; L286-Q290 HydrophobicContact CD2-CG 4.37Å; L286-Q290 HydrophobicContact CG-CB 4.36Å; L286-K291 HydrophobicContact CB-CG 3.67Å; L286-K291 HydrophobicContact CD1-CG 4.27Å; L286-K291 WeakPolarHBondContact O-CE 3.46Å; L286-Y294 HydrophobicContact CD1-CD2 4.08Å; L286-Y294 HydrophobicContact CD1-CG 4.46Å; L286-T467 HydrophobicContact CB-CG2 4.5Å; L286-T467 HydrophobicContact CD1-CG2 4.36Å; L286-T467 HydrophobicContact CD2-CG2 3.33Å; L286-T467 HydrophobicContact CG-CG2 3.41Å; L286-T467 VanDerWaalsContact CG-CG2 3.41Å; L286-T470 HydrophobicContact CD1-CG2 3.57Å; L286-T470 HydrophobicContact CD2-CG2 4.42Å; L286-T470 HydrophobicContact CG-CG2 3.97Å; L286-F510 HydrophobicContact CD1-CE2 4.25Å
287	T	86.8	Confident	86.6	Confident	32 Å²	32	35 Å²	35	20%	0.196	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-66.5	158.3	167	61.3	0	0	0	0	110.6	E289 Q290 K291 R340	T287-E289 PolarHBondContact O-N 3.5Å; T287-Q290 VanDerWaalsContact N-OE1 3.11Å; T287-Q290 WeakPolarHBondContact O-CB 3.29Å; T287-Q290 PolarHBondContact O-N 3.25Å; T287-Q290 VanDerWaalsContact OG1-CG 3.28Å; T287-Q290 WeakPolarHBondContact OG1-CG 3.49Å; T287-Q290 PolarHBondContact OG1-N 3.4Å; T287-Q290 PolarHBondContact OG1-OE1 3.07Å; T287-K291 WeakPolarHBondContact O-CG 3.47Å; T287-K291 PolarHBondContact O-N 3.26Å; T287-R340 VanDerWaalsContact CG2-O 3.27Å; T287-R340 WeakPolarHBondContact CG2-O 3.34Å; T287-R340 PolarHBondContact OG1-O 2.91Å
288	E	85.5	Confident	86.6	Confident	117 Å²	117	34.3 Å²	34.3	55%	0.547	17%	0.174	S	C	.	.	H	α-helix	trans	-58.7	-35.1	178.5	-68.8	-55.1	133.3	0	0	112.3	K291 A292	E288-K291 PolarHBondContact O-N 3.3Å; E288-K291 IonicContact OE1-NZ 2.69Å; E288-K291 PolarHBondContact OE1-NZ 2.72Å; E288-A292 WeakPolarHBondContact O-CB 3.42Å; E288-A292 PolarHBondContact O-N 3.1Å
289	E	85.7	Confident	86.8	Confident	91 Å²	91	40 Å²	40	43%	0.425	20%	0.196	S	C	.	.	H	α-helix	trans	-62.2	-46.4	171.4	-65.8	-176.8	-157.2	0	0	112.2	T287 K291 A292 I293 R340	T287-E289 PolarHBondContact O-N 3.5Å; E289-K291 VanDerWaalsContact C-N 3.34Å; E289-K291 PolarHBondContact O-N 2.92Å; E289-A292 PolarHBondContact O-N 3.03Å; E289-I293 VanDerWaalsContact O-CG1 3.28Å; E289-I293 WeakPolarHBondContact O-CG1 3.41Å; E289-I293 PolarHBondContact O-N 3.47Å; E289-I293 VanDerWaalsContact O-N 3.15Å; E289-R340 IonicContact OE1-NE 3.42Å; E289-R340 IonicContact OE2-CZ 3.95Å; E289-R340 IonicContact OE2-NE 3.15Å; E289-R340 PolarHBondContact OE2-NE 3.34Å; E289-R340 IonicContact OE2-NH2 3.71Å; E289-R340 PolarHBondContact OE2-NH2 3.06Å
290	Q	89	Confident	86.8	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-63.5	-41.1	177.1	-71.2	175	-67.1	0	0	111.5	L286 T287 I293 Y294 L323 C324 P327 G342	L286-Q290 HydrophobicContact CB-CB 4.06Å; L286-Q290 HydrophobicContact CD2-CB 3.81Å; L286-Q290 HydrophobicContact CD2-CG 4.37Å; L286-Q290 HydrophobicContact CG-CB 4.36Å; T287-Q290 VanDerWaalsContact N-OE1 3.11Å; T287-Q290 WeakPolarHBondContact O-CB 3.29Å; T287-Q290 PolarHBondContact O-N 3.25Å; T287-Q290 VanDerWaalsContact OG1-CG 3.28Å; T287-Q290 WeakPolarHBondContact OG1-CG 3.49Å; T287-Q290 PolarHBondContact OG1-N 3.4Å; T287-Q290 PolarHBondContact OG1-OE1 3.07Å; Q290-I293 PolarHBondContact O-N 3.18Å; Q290-Y294 WeakPolarHBondContact O-CB 3.16Å; Q290-Y294 PolarHBondContact O-N 2.74Å; Q290-L323 HydrophobicContact CB-CD1 4.43Å; Q290-L323 HydrophobicContact CG-CD1 4.42Å; Q290-L323 PolarHBondContact NE2-O 3.46Å; Q290-C324 PolarHBondContact NE2-O 2.87Å; Q290-P327 HydrophobicContact CG-CB 4.17Å; Q290-P327 HydrophobicContact CG-CG 4.06Å; Q290-G342 VanDerWaalsContact OE1-N 3.11Å
291	K	88.1	Confident	86.6	Confident	24 Å²	24	45 Å²	45	10%	0.104	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-43.1	176.6	-69.6	-178.2	-171.3	172.7	0	111.7	L286 T287 E288 E289 Y294 R295 F510 D512	L286-K291 HydrophobicContact CB-CG 3.67Å; L286-K291 HydrophobicContact CD1-CG 4.27Å; L286-K291 WeakPolarHBondContact O-CE 3.46Å; T287-K291 WeakPolarHBondContact O-CG 3.47Å; T287-K291 PolarHBondContact O-N 3.26Å; E288-K291 PolarHBondContact O-N 3.3Å; E288-K291 IonicContact OE1-NZ 2.69Å; E288-K291 PolarHBondContact OE1-NZ 2.72Å; E289-K291 VanDerWaalsContact C-N 3.34Å; E289-K291 PolarHBondContact O-N 2.92Å; K291-Y294 PolarHBondContact O-N 3.18Å; K291-R295 WeakPolarHBondContact O-CG 3.27Å; K291-R295 PolarHBondContact O-N 2.96Å; K291-F510 HydrophobicContact CG-CZ 4.42Å; K291-D512 IonicContact NZ-OD1 3.3Å
292	A	88.8	Confident	86.5	Confident	55 Å²	55	48.4 Å²	48.4	46%	0.455	24%	0.242	S	C	.	.	H	α-helix	trans	-59.2	-48.9	177.5	0	0	0	0	0	111.2	E288 E289 Y294 R295 E296	E288-A292 WeakPolarHBondContact O-CB 3.42Å; E288-A292 PolarHBondContact O-N 3.1Å; E289-A292 PolarHBondContact O-N 3.03Å; A292-Y294 VanDerWaalsContact C-N 3.29Å; A292-Y294 PolarHBondContact O-N 3.06Å; A292-R295 PolarHBondContact O-N 2.87Å; A292-E296 WeakPolarHBondContact O-CB 3.26Å; A292-E296 PolarHBondContact O-N 2.95Å
293	I	89.6	Confident	86.3	Confident	7 Å²	7	48.4 Å²	48.4	4%	0.036	24%	0.242	C	C	.	.	H	α-helix	trans	-65.1	-35.4	177.7	-57	167.4	0	0	0	111.2	E289 Q290 Y297 L323 P327 V330 K331	E289-I293 VanDerWaalsContact O-CG1 3.28Å; E289-I293 WeakPolarHBondContact O-CG1 3.41Å; E289-I293 PolarHBondContact O-N 3.47Å; E289-I293 VanDerWaalsContact O-N 3.15Å; Q290-I293 PolarHBondContact O-N 3.18Å; I293-Y297 WeakPolarHBondContact O-CB 3.4Å; I293-Y297 PolarHBondContact O-N 3.48Å; I293-L323 HydrophobicContact CB-CD1 3.85Å; I293-L323 HydrophobicContact CB-CD2 4.12Å; I293-L323 HydrophobicContact CD1-CD1 4.12Å; I293-L323 HydrophobicContact CG2-CD1 3.75Å; I293-L323 HydrophobicContact CG2-CD2 3.87Å; I293-L323 HydrophobicContact CG2-CG 4.45Å; I293-P327 HydrophobicContact CD1-CB 3.68Å; I293-V330 HydrophobicContact CG2-CG1 4.49Å; I293-K331 HydrophobicContact CD1-CD 3.76Å; I293-K331 HydrophobicContact CD1-CG 4.16Å; I293-K331 HydrophobicContact CG1-CD 3.85Å; I293-K331 HydrophobicContact CG2-CD 4.45Å; I293-K331 HydrophobicContact CG2-CG 4.46Å
294	Y	89.3	Confident	86.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66	-48.1	179.2	-161.7	-70.9	0	0	0	110.5	L286 Q290 K291 A292 Y297 V298 L320 L323 T470 V471 F510	L286-Y294 HydrophobicContact CD1-CD2 4.08Å; L286-Y294 HydrophobicContact CD1-CG 4.46Å; Q290-Y294 WeakPolarHBondContact O-CB 3.16Å; Q290-Y294 PolarHBondContact O-N 2.74Å; K291-Y294 PolarHBondContact O-N 3.18Å; A292-Y294 VanDerWaalsContact C-N 3.29Å; A292-Y294 PolarHBondContact O-N 3.06Å; Y294-Y297 PolarHBondContact O-N 3.46Å; Y294-V298 HydrophobicContact CD1-CG2 3.68Å; Y294-V298 HydrophobicContact CE1-CG2 3.53Å; Y294-V298 WeakPolarHBondContact O-CG2 3.23Å; Y294-V298 PolarHBondContact O-N 3.48Å; Y294-L320 HydrophobicContact CD1-CD2 4.44Å; Y294-L320 HydrophobicContact CD2-CD2 3.92Å; Y294-L320 HydrophobicContact CE1-CD2 4.17Å; Y294-L320 HydrophobicContact CE2-CB 4.46Å; Y294-L320 HydrophobicContact CE2-CD2 3.65Å; Y294-L320 HydrophobicContact CE2-CG 4.47Å; Y294-L320 HydrophobicContact CG-CD2 4.31Å; Y294-L323 HydrophobicContact CD2-CD2 3.85Å; Y294-L323 HydrophobicContact CG-CD2 4.16Å; Y294-T470 HydrophobicContact CD2-CG2 4.36Å; Y294-T470 HydrophobicContact CE2-CG2 3.86Å; Y294-V471 PolarHBondContact OH-N 2.71Å; Y294-F510 HydrophobicContact CD1-CB 4.06Å; Y294-F510 AromaticContact CD1-CD2 3.95Å; Y294-F510 HydrophobicContact CD1-CD2 3.95Å; Y294-F510 HydrophobicContact CD1-CG 4.05Å; Y294-F510 HydrophobicContact CE1-CB 3.77Å; Y294-F510 AromaticContact CE1-CD2 3.89Å; Y294-F510 HydrophobicContact CE1-CD2 3.89Å; Y294-F510 HydrophobicContact CE1-CG 4.09Å
295	R	88.3	Confident	86	Confident	108 Å²	108	58 Å²	58	41%	0.408	29%	0.286	S	S	.	.	H	α-helix	trans	-61.9	-43.7	177.3	-68.9	177.9	-167.2	153	2.8	111.4	K291 A292 Y297 V298 Q299 F510 D512	K291-R295 WeakPolarHBondContact O-CG 3.27Å; K291-R295 PolarHBondContact O-N 2.96Å; A292-R295 PolarHBondContact O-N 2.87Å; R295-Y297 VanDerWaalsContact C-N 3.34Å; R295-Y297 PolarHBondContact O-N 2.83Å; R295-V298 PolarHBondContact O-N 3.13Å; R295-Q299 WeakPolarHBondContact O-CG 3.38Å; R295-Q299 PolarHBondContact O-N 3.06Å; R295-Q299 VanDerWaalsContact O-N 3.12Å; R295-F510 HydrophobicContact CG-CD1 4.42Å; R295-D512 IonicContact CZ-OD2 2.77Å; R295-D512 IonicContact NH2-OD2 3.97Å; R295-D512 PolarHBondContact NH2-OD2 2.86Å
296	E	88.7	Confident	85.9	Confident	106 Å²	106	55.4 Å²	55.4	50%	0.495	27%	0.273	S	S	.	.	H	α-helix	trans	-57.8	-45	174.8	-177	-174.3	172.6	0	0	111.6	A292 Q299 S300 K331	A292-E296 WeakPolarHBondContact O-CB 3.26Å; A292-E296 PolarHBondContact O-N 2.95Å; E296-Q299 PolarHBondContact O-N 2.99Å; E296-S300 PolarHBondContact O-N 2.89Å; E296-K331 IonicContact OE1-NZ 2.61Å; E296-K331 WeakPolarHBondContact OE2-CE 3.27Å; E296-K331 IonicContact OE2-NZ 2.61Å; E296-K331 PolarHBondContact OE2-NZ 3.48Å
297	Y	87.7	Confident	85.5	Confident	7 Å²	7	58 Å²	58	3%	0.027	29%	0.287	C	S	.	.	H	α-helix	trans	-68.8	-42	179.4	-172.4	-102.6	0	0	0	112.9	I293 Y294 R295 Q299 S300 E302 C303 G316 Y319 L320	I293-Y297 WeakPolarHBondContact O-CB 3.4Å; I293-Y297 PolarHBondContact O-N 3.48Å; Y294-Y297 PolarHBondContact O-N 3.46Å; R295-Y297 VanDerWaalsContact C-N 3.34Å; R295-Y297 PolarHBondContact O-N 2.83Å; Y297-Q299 PolarHBondContact O-N 2.81Å; Y297-S300 VanDerWaalsContact O-CB 3.28Å; Y297-S300 WeakPolarHBondContact O-CB 3.27Å; Y297-S300 PolarHBondContact O-N 2.75Å; Y297-S300 PolarHBondContact O-OG 3.15Å; Y297-E302 PolarHBondContact OH-OE1 2.8Å; Y297-C303 WeakPolarHBondContact O-CB 3.46Å; Y297-G316 WeakPolarHBondContact OH-CA 3.1Å; Y297-Y319 AromaticContact CD1-CD1 3.7Å; Y297-Y319 HydrophobicContact CD1-CD1 3.7Å; Y297-Y319 AromaticContact CD1-CE1 3.94Å; Y297-Y319 HydrophobicContact CD1-CE1 3.94Å; Y297-Y319 AromaticContact CD2-CD1 3.47Å; Y297-Y319 HydrophobicContact CD2-CD1 3.47Å; Y297-Y319 VanDerWaalsContact CD2-CD1 3.47Å; Y297-Y319 HydrophobicContact CD2-CD2 4.22Å; Y297-Y319 AromaticContact CD2-CE1 3.13Å; Y297-Y319 HydrophobicContact CD2-CE1 3.13Å; Y297-Y319 AromaticContact CD2-CE2 3.91Å; Y297-Y319 HydrophobicContact CD2-CE2 3.91Å; Y297-Y319 HydrophobicContact CD2-CG 4Å; Y297-Y319 AromaticContact CD2-CZ 3.33Å; Y297-Y319 AromaticContact CE1-CD1 3.79Å; Y297-Y319 HydrophobicContact CE1-CD1 3.79Å; Y297-Y319 HydrophobicContact CE1-CE1 4.39Å; Y297-Y319 HydrophobicContact CE1-CG 4.18Å; Y297-Y319 AromaticContact CE2-CD1 3.57Å; Y297-Y319 HydrophobicContact CE2-CD1 3.57Å; Y297-Y319 AromaticContact CE2-CD2 3.81Å; Y297-Y319 HydrophobicContact CE2-CD2 3.81Å; Y297-Y319 AromaticContact CE2-CE1 3.69Å; Y297-Y319 HydrophobicContact CE2-CE1 3.69Å; Y297-Y319 AromaticContact CE2-CE2 3.87Å; Y297-Y319 HydrophobicContact CE2-CE2 3.87Å; Y297-Y319 AromaticContact CE2-CG 3.63Å; Y297-Y319 HydrophobicContact CE2-CG 3.63Å; Y297-Y319 AromaticContact CE2-CZ 3.79Å; Y297-Y319 AromaticContact CG-CD1 3.52Å; Y297-Y319 HydrophobicContact CG-CD1 3.52Å; Y297-Y319 AromaticContact CG-CE1 3.26Å; Y297-Y319 HydrophobicContact CG-CE1 3.26Å; Y297-Y319 HydrophobicContact CG-CG 4.42Å; Y297-Y319 AromaticContact CG-CZ 3.95Å; Y297-Y319 AromaticContact CZ-CD1 3.74Å; Y297-Y319 AromaticContact CZ-CG 3.73Å; Y297-L320 HydrophobicContact CD1-CD2 3.53Å; Y297-L320 HydrophobicContact CD1-CG 3.94Å; Y297-L320 HydrophobicContact CE1-CD2 4.15Å; Y297-L320 HydrophobicContact CE1-CG 4.04Å; Y297-L320 HydrophobicContact CG-CD2 4.38Å
298	V	86.6	Confident	85.2	Confident	37 Å²	37	61.7 Å²	61.7	22%	0.224	31%	0.306	C	S	.	.	H	α-helix	trans	-61.3	-32.5	177.7	171.2	0	0	0	0	111.4	Y294 R295	Y294-V298 HydrophobicContact CD1-CG2 3.68Å; Y294-V298 HydrophobicContact CE1-CG2 3.53Å; Y294-V298 WeakPolarHBondContact O-CG2 3.23Å; Y294-V298 PolarHBondContact O-N 3.48Å; R295-V298 PolarHBondContact O-N 3.13Å
299	Q	85.7	Confident	84.8	Confident	154 Å²	154	58.5 Å²	58.5	72%	0.72	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-5.6	176.4	-66.6	175.1	-12.4	0	0	113.7	R295 E296 Y297	R295-Q299 WeakPolarHBondContact O-CG 3.38Å; R295-Q299 PolarHBondContact O-N 3.06Å; R295-Q299 VanDerWaalsContact O-N 3.12Å; E296-Q299 PolarHBondContact O-N 2.99Å; Y297-Q299 PolarHBondContact O-N 2.81Å
300	S	86.4	Confident	84.3	Confident	32 Å²	32	59.7 Å²	59.7	22%	0.224	31%	0.309	C	S	.	.	S	Bend	trans	-70.9	151.8	-177.5	73	0	0	0	0	112.1	E296 Y297 E302 C303 L304	E296-S300 PolarHBondContact O-N 2.89Å; Y297-S300 VanDerWaalsContact O-CB 3.28Å; Y297-S300 WeakPolarHBondContact O-CB 3.27Å; Y297-S300 PolarHBondContact O-N 2.75Å; Y297-S300 PolarHBondContact O-OG 3.15Å; S300-E302 PolarHBondContact O-N 2.79Å; S300-C303 PolarHBondContact O-N 3.4Å; S300-C303 PolarHBondContact OG-N 3.44Å; S300-L304 PolarHBondContact O-N 2.87Å; S300-L304 VanDerWaalsContact O-N 3.11Å
301	D	82.1	Confident	83.8	Confident	105 Å²	105	61.5 Å²	61.5	56%	0.561	32%	0.319	S	S	*	.	H	α-helix	trans	-56.3	-33.4	173.9	-175.6	65.6	0	0	0	111.9	C303 L304 R305	D301-C303 PolarHBondContact O-N 3.02Å; D301-L304 PolarHBondContact O-N 2.94Å; D301-R305 WeakPolarHBondContact O-CB 3.42Å; D301-R305 VanDerWaalsContact O-CG 3.22Å; D301-R305 WeakPolarHBondContact O-CG 3.39Å; D301-R305 PolarHBondContact O-N 3.45Å; D301-R305 WeakPolarHBondContact OD2-CD 3.18Å
302	E	82.1	Confident	83.4	Confident	72 Å²	72	67.1 Å²	67.1	34%	0.336	35%	0.345	S	S	.	.	H	α-helix	trans	-60.9	-43.8	175.9	-165.4	-174.6	157.8	0	0	111.7	Y297 S300 R305 I306 I311	Y297-E302 PolarHBondContact OH-OE1 2.8Å; S300-E302 PolarHBondContact O-N 2.79Å; E302-R305 PolarHBondContact O-N 2.63Å; E302-I306 HydrophobicContact CG-CD1 4.42Å; E302-I306 WeakPolarHBondContact O-CD1 3.29Å; E302-I306 WeakPolarHBondContact O-CG1 3.33Å; E302-I306 PolarHBondContact O-N 2.94Å; E302-I311 HydrophobicContact CG-CD1 4.28Å
303	C	81.4	Confident	83.1	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-68	-41.3	177.3	-171.9	0	0	0	0	111.6	Y297 S300 D301 R305 I306 L307	Y297-C303 WeakPolarHBondContact O-CB 3.46Å; S300-C303 PolarHBondContact O-N 3.4Å; S300-C303 PolarHBondContact OG-N 3.44Å; D301-C303 PolarHBondContact O-N 3.02Å; C303-R305 PolarHBondContact O-N 2.92Å; C303-I306 WeakPolarHBondContact O-CB 3.36Å; C303-I306 PolarHBondContact O-N 2.98Å; C303-L307 WeakPolarHBondContact O-CG 3.16Å; C303-L307 PolarHBondContact O-N 2.92Å
304	L	81.8	Confident	82.7	Confident	99 Å²	99	72.2 Å²	72.2	52%	0.518	36%	0.359	S	S	.	.	H	α-helix	trans	-61	-43.2	175.2	-70.4	171	0	0	0	111.8	S300 D301 I306 L307 D308	S300-L304 PolarHBondContact O-N 2.87Å; S300-L304 VanDerWaalsContact O-N 3.11Å; D301-L304 PolarHBondContact O-N 2.94Å; L304-I306 VanDerWaalsContact C-N 3.31Å; L304-I306 PolarHBondContact O-N 3.34Å; L304-L307 PolarHBondContact O-N 3.19Å; L304-D308 WeakPolarHBondContact O-CB 3.38Å; L304-D308 PolarHBondContact O-N 3.22Å
305	R	82.1	Confident	82.4	Confident	102 Å²	102	75.6 Å²	75.6	39%	0.385	38%	0.379	S	S	.	.	H	α-helix	trans	-67.7	-29.4	176	-70.4	177.7	66.9	-161.7	-1.4	113.2	D301 E302 C303 G309 Q310 I311	D301-R305 WeakPolarHBondContact O-CB 3.42Å; D301-R305 VanDerWaalsContact O-CG 3.22Å; D301-R305 WeakPolarHBondContact O-CG 3.39Å; D301-R305 PolarHBondContact O-N 3.45Å; D301-R305 WeakPolarHBondContact OD2-CD 3.18Å; E302-R305 PolarHBondContact O-N 2.63Å; C303-R305 PolarHBondContact O-N 2.92Å; R305-G309 PolarHBondContact O-N 2.81Å; R305-Q310 HydrophobicContact CB-CB 4.32Å; R305-Q310 VanDerWaalsContact NE-OE1 3.07Å; R305-Q310 WeakPolarHBondContact O-CB 3.06Å; R305-Q310 PolarHBondContact O-N 2.94Å; R305-I311 HydrophobicContact CB-CD1 3.77Å; R305-I311 HydrophobicContact CB-CG1 4.12Å; R305-I311 PolarHBondContact O-N 3.27Å
306	I	82.2	Confident	82.2	Confident	3 Å²	3	70.4 Å²	70.4	2%	0.015	36%	0.36	C	S	.	.	H	α-helix	trans	-67.9	-43.8	170.5	-71.6	165.6	0	0	0	110.5	E302 C303 L304 G309 I311 I313 F508	E302-I306 HydrophobicContact CG-CD1 4.42Å; E302-I306 WeakPolarHBondContact O-CD1 3.29Å; E302-I306 WeakPolarHBondContact O-CG1 3.33Å; E302-I306 PolarHBondContact O-N 2.94Å; C303-I306 WeakPolarHBondContact O-CB 3.36Å; C303-I306 PolarHBondContact O-N 2.98Å; L304-I306 VanDerWaalsContact C-N 3.31Å; L304-I306 PolarHBondContact O-N 3.34Å; I306-G309 PolarHBondContact O-N 2.84Å; I306-G309 VanDerWaalsContact O-N 3.08Å; I306-I311 HydrophobicContact CD1-CG2 4.41Å; I306-I311 HydrophobicContact CG1-CB 3.7Å; I306-I311 HydrophobicContact CG1-CG2 3.74Å; I306-I313 HydrophobicContact CG2-CB 4.34Å; I306-I313 HydrophobicContact CG2-CG1 4.05Å; I306-F508 HydrophobicContact CG2-CE2 4.01Å; I306-F508 HydrophobicContact CG2-CZ 3.8Å
307	L	78	Confident	82	Confident	67 Å²	67	65.7 Å²	65.7	35%	0.351	34%	0.338	S	S	.	.	H	α-helix	trans	-67.3	-36.2	178.7	-69.4	169.5	0	0	0	112.1	C303 L304 G309 F508	C303-L307 WeakPolarHBondContact O-CG 3.16Å; C303-L307 PolarHBondContact O-N 2.92Å; L304-L307 PolarHBondContact O-N 3.19Å; L307-G309 PolarHBondContact O-N 3.15Å; L307-F508 HydrophobicContact CD2-CB 4.34Å; L307-F508 HydrophobicContact CD2-CD2 3.79Å; L307-F508 HydrophobicContact CD2-CG 4.33Å
308	D	81.1	Confident	82	Confident	109 Å²	109	68.9 Å²	68.9	58%	0.583	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-7.3	172	-166.8	47.7	0	0	0	112.9	L304 Q310	L304-D308 WeakPolarHBondContact O-CB 3.38Å; L304-D308 PolarHBondContact O-N 3.22Å; D308-Q310 VanDerWaalsContact C-N 3.31Å; D308-Q310 HydrophobicContact CB-CG 4.31Å; D308-Q310 PolarHBondContact O-N 2.82Å; D308-Q310 WeakPolarHBondContact OD2-CG 3.17Å; D308-Q310 PolarHBondContact OD2-NE2 3.29Å
309	G	77.3	Confident	82	Confident	49 Å²	49	70 Å²	70	51%	0.505	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	8.6	178.5	0	0	0	0	0	114.9	R305 I306 L307 I311	R305-G309 PolarHBondContact O-N 2.81Å; I306-G309 PolarHBondContact O-N 2.84Å; I306-G309 VanDerWaalsContact O-N 3.08Å; L307-G309 PolarHBondContact O-N 3.15Å; G309-I311 VanDerWaalsContact C-N 3.32Å
310	Q	75.2	Confident	82.1	Confident	116 Å²	116	62.6 Å²	62.6	54%	0.542	32%	0.324	S	S	.	.	S	Bend	trans	-71.4	-28.6	175.7	-58.6	-173.3	-2.8	0	0	112.7	R305 D308	R305-Q310 HydrophobicContact CB-CB 4.32Å; R305-Q310 VanDerWaalsContact NE-OE1 3.07Å; R305-Q310 WeakPolarHBondContact O-CB 3.06Å; R305-Q310 PolarHBondContact O-N 2.94Å; D308-Q310 VanDerWaalsContact C-N 3.31Å; D308-Q310 HydrophobicContact CB-CG 4.31Å; D308-Q310 PolarHBondContact O-N 2.82Å; D308-Q310 WeakPolarHBondContact OD2-CG 3.17Å; D308-Q310 PolarHBondContact OD2-NE2 3.29Å
311	I	77.5	Confident	82.2	Confident	39 Å²	39	63 Å²	63	20%	0.2	32%	0.321	C	S	.	.	S	Bend	trans	-120.8	145.2	-179.6	-59.6	175.9	0	0	0	109.5	E302 R305 I306 G309 I313 V315	E302-I311 HydrophobicContact CG-CD1 4.28Å; R305-I311 HydrophobicContact CB-CD1 3.77Å; R305-I311 HydrophobicContact CB-CG1 4.12Å; R305-I311 PolarHBondContact O-N 3.27Å; I306-I311 HydrophobicContact CD1-CG2 4.41Å; I306-I311 HydrophobicContact CG1-CB 3.7Å; I306-I311 HydrophobicContact CG1-CG2 3.74Å; G309-I311 VanDerWaalsContact C-N 3.32Å; I311-I313 PolarHBondContact O-N 3.14Å; I311-V315 HydrophobicContact CG2-CB 4.32Å; I311-V315 HydrophobicContact CG2-CG2 4.32Å
312	Q	79	Confident	82.5	Confident	143 Å²	143	61 Å²	61	67%	0.668	31%	0.307	S	S	*	.			trans	-63.3	127.5	175.9	-67.5	-170.7	-13.8	0	0	111.9	F314 V315	Q312-F314 PolarHBondContact O-N 3.07Å; Q312-V315 PolarHBondContact O-N 3.05Å
313	I	82.6	Confident	82.8	Confident	47 Å²	47	57.6 Å²	57.6	24%	0.241	29%	0.291	C	S	.	.	H	α-helix	trans	-50.5	-31.8	179.2	-61.9	162.2	0	0	0	113	I306 I311 V315 G316 L317 V504 F508	I306-I313 HydrophobicContact CG2-CB 4.34Å; I306-I313 HydrophobicContact CG2-CG1 4.05Å; I311-I313 PolarHBondContact O-N 3.14Å; I313-V315 VanDerWaalsContact C-N 3.26Å; I313-V315 PolarHBondContact O-N 3.02Å; I313-G316 PolarHBondContact O-N 3.03Å; I313-L317 HydrophobicContact CG2-CD1 3.67Å; I313-L317 HydrophobicContact CG2-CG 4.04Å; I313-L317 WeakPolarHBondContact O-CG 3.41Å; I313-L317 PolarHBondContact O-N 2.88Å; I313-L317 VanDerWaalsContact O-N 3.08Å; I313-V504 HydrophobicContact CD1-CG1 3.77Å; I313-V504 HydrophobicContact CD1-CG2 4.34Å; I313-V504 HydrophobicContact CG1-CG1 4.26Å; I313-F508 HydrophobicContact CG2-CE2 3.97Å; I313-F508 HydrophobicContact CG2-CZ 4Å
314	F	81.4	Confident	83.2	Confident	121 Å²	121	57.6 Å²	57.6	53%	0.531	29%	0.291	S	S	.	.	H	α-helix	trans	-64.6	-25.9	-178.7	-64	-67.9	0	0	0	114.3	Q312 L317 T318	Q312-F314 PolarHBondContact O-N 3.07Å; F314-L317 HydrophobicContact CD1-CD1 4.47Å; F314-T318 WeakPolarHBondContact O-CB 3.38Å; F314-T318 PolarHBondContact O-N 3.47Å; F314-T318 PolarHBondContact O-OG1 3.19Å
315	V	82.6	Confident	83.5	Confident	71 Å²	71	53.1 Å²	53.1	43%	0.43	27%	0.268	S	S	.	.	H	α-helix	trans	-65.6	-54.2	177.5	-179.8	0	0	0	0	109.4	I311 Q312 I313 L317 T318 Y319	I311-V315 HydrophobicContact CG2-CB 4.32Å; I311-V315 HydrophobicContact CG2-CG2 4.32Å; Q312-V315 PolarHBondContact O-N 3.05Å; I313-V315 VanDerWaalsContact C-N 3.26Å; I313-V315 PolarHBondContact O-N 3.02Å; V315-L317 PolarHBondContact O-N 3.45Å; V315-T318 WeakPolarHBondContact O-CB 3.39Å; V315-T318 PolarHBondContact O-N 3.36Å; V315-T318 VanDerWaalsContact O-N 3.11Å; V315-Y319 PolarHBondContact O-N 3.39Å
316	G	84.4	Confident	83.7	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.2	-34.2	178.7	0	0	0	0	0	113.9	Y297 I313 T318 Y319 L320	Y297-G316 WeakPolarHBondContact OH-CA 3.1Å; I313-G316 PolarHBondContact O-N 3.03Å; G316-T318 VanDerWaalsContact C-N 3.3Å; G316-T318 PolarHBondContact O-N 3.38Å; G316-Y319 WeakPolarHBondContact O-CB 3.48Å; G316-Y319 PolarHBondContact O-N 3.26Å; G316-L320 WeakPolarHBondContact O-CG 3.14Å; G316-L320 PolarHBondContact O-N 3.35Å
317	L	85.9	Confident	83.9	Confident	7 Å²	7	48.4 Å²	48.4	4%	0.037	25%	0.25	C	S	.	.	H	α-helix	trans	-63	-38.1	171.7	-70.2	173.6	0	0	0	112.6	I313 F314 V315 Y319 R321 W439 V471 L507 F508	I313-L317 HydrophobicContact CG2-CD1 3.67Å; I313-L317 HydrophobicContact CG2-CG 4.04Å; I313-L317 WeakPolarHBondContact O-CG 3.41Å; I313-L317 PolarHBondContact O-N 2.88Å; I313-L317 VanDerWaalsContact O-N 3.08Å; F314-L317 HydrophobicContact CD1-CD1 4.47Å; V315-L317 PolarHBondContact O-N 3.45Å; L317-Y319 VanDerWaalsContact C-N 3.34Å; L317-R321 WeakPolarHBondContact O-CB 3.48Å; L317-R321 WeakPolarHBondContact O-CG 3.1Å; L317-R321 PolarHBondContact O-N 2.75Å; L317-W439 HydrophobicContact CD1-CH2 4.23Å; L317-W439 HydrophobicContact CD1-CZ2 3.89Å; L317-W439 HydrophobicContact CD2-CZ2 4.49Å; L317-V471 HydrophobicContact CD2-CG2 3.34Å; L317-L507 HydrophobicContact CD1-CD2 3.87Å; L317-L507 HydrophobicContact CD2-CD2 3.51Å; L317-L507 HydrophobicContact CD2-CG 3.99Å; L317-L507 HydrophobicContact CG-CD2 4.21Å; L317-F508 HydrophobicContact CD2-CZ 4.41Å; L317-F508 HydrophobicContact CG-CZ 4.37Å
318	T	86.3	Confident	84.1	Confident	74 Å²	74	45.4 Å²	45.4	45%	0.454	23%	0.234	S	C	.	.	H	α-helix	trans	-66.3	-40.5	176.7	-60.5	0	0	0	0	110.8	F314 V315 G316 K322	F314-T318 WeakPolarHBondContact O-CB 3.38Å; F314-T318 PolarHBondContact O-N 3.47Å; F314-T318 PolarHBondContact O-OG1 3.19Å; V315-T318 WeakPolarHBondContact O-CB 3.39Å; V315-T318 PolarHBondContact O-N 3.36Å; V315-T318 VanDerWaalsContact O-N 3.11Å; G316-T318 VanDerWaalsContact C-N 3.3Å; G316-T318 PolarHBondContact O-N 3.38Å; T318-K322 HydrophobicContact CG2-CD 4.44Å; T318-K322 VanDerWaalsContact O-CG 3.3Å; T318-K322 WeakPolarHBondContact O-CG 3.47Å; T318-K322 PolarHBondContact O-N 2.83Å
319	Y	87.4	Confident	84.1	Confident	59 Å²	59	41 Å²	41	23%	0.231	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-54	175.4	-174.2	-79.3	0	0	0	111.8	Y297 V315 G316 L317 R321 K322 L323 V330	Y297-Y319 AromaticContact CD1-CD1 3.7Å; Y297-Y319 HydrophobicContact CD1-CD1 3.7Å; Y297-Y319 AromaticContact CD1-CE1 3.94Å; Y297-Y319 HydrophobicContact CD1-CE1 3.94Å; Y297-Y319 AromaticContact CD2-CD1 3.47Å; Y297-Y319 HydrophobicContact CD2-CD1 3.47Å; Y297-Y319 VanDerWaalsContact CD2-CD1 3.47Å; Y297-Y319 HydrophobicContact CD2-CD2 4.22Å; Y297-Y319 AromaticContact CD2-CE1 3.13Å; Y297-Y319 HydrophobicContact CD2-CE1 3.13Å; Y297-Y319 AromaticContact CD2-CE2 3.91Å; Y297-Y319 HydrophobicContact CD2-CE2 3.91Å; Y297-Y319 HydrophobicContact CD2-CG 4Å; Y297-Y319 AromaticContact CD2-CZ 3.33Å; Y297-Y319 AromaticContact CE1-CD1 3.79Å; Y297-Y319 HydrophobicContact CE1-CD1 3.79Å; Y297-Y319 HydrophobicContact CE1-CE1 4.39Å; Y297-Y319 HydrophobicContact CE1-CG 4.18Å; Y297-Y319 AromaticContact CE2-CD1 3.57Å; Y297-Y319 HydrophobicContact CE2-CD1 3.57Å; Y297-Y319 AromaticContact CE2-CD2 3.81Å; Y297-Y319 HydrophobicContact CE2-CD2 3.81Å; Y297-Y319 AromaticContact CE2-CE1 3.69Å; Y297-Y319 HydrophobicContact CE2-CE1 3.69Å; Y297-Y319 AromaticContact CE2-CE2 3.87Å; Y297-Y319 HydrophobicContact CE2-CE2 3.87Å; Y297-Y319 AromaticContact CE2-CG 3.63Å; Y297-Y319 HydrophobicContact CE2-CG 3.63Å; Y297-Y319 AromaticContact CE2-CZ 3.79Å; Y297-Y319 AromaticContact CG-CD1 3.52Å; Y297-Y319 HydrophobicContact CG-CD1 3.52Å; Y297-Y319 AromaticContact CG-CE1 3.26Å; Y297-Y319 HydrophobicContact CG-CE1 3.26Å; Y297-Y319 HydrophobicContact CG-CG 4.42Å; Y297-Y319 AromaticContact CG-CZ 3.95Å; Y297-Y319 AromaticContact CZ-CD1 3.74Å; Y297-Y319 AromaticContact CZ-CG 3.73Å; V315-Y319 PolarHBondContact O-N 3.39Å; G316-Y319 WeakPolarHBondContact O-CB 3.48Å; G316-Y319 PolarHBondContact O-N 3.26Å; L317-Y319 VanDerWaalsContact C-N 3.34Å; Y319-R321 VanDerWaalsContact C-N 3.31Å; Y319-R321 PolarHBondContact O-N 2.86Å; Y319-K322 WeakPolarHBondContact O-CB 3.36Å; Y319-K322 PolarHBondContact O-N 3.15Å; Y319-K322 VanDerWaalsContact O-N 3.11Å; Y319-L323 PolarHBondContact O-N 2.89Å; Y319-V330 HydrophobicContact CD1-CG1 4.5Å; Y319-V330 HydrophobicContact CD2-CG1 4.1Å; Y319-V330 HydrophobicContact CD2-CG2 4.49Å; Y319-V330 HydrophobicContact CE1-CG1 3.71Å; Y319-V330 HydrophobicContact CE1-CG2 4.41Å; Y319-V330 HydrophobicContact CE2-CB 4.41Å; Y319-V330 HydrophobicContact CE2-CG1 3.27Å; Y319-V330 HydrophobicContact CE2-CG2 4.41Å; Y319-V330 WeakPolarHBondContact OH-CG1 3.27Å
320	L	88.2	Confident	84.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.9	-38.7	-179.1	-70.9	179.4	0	0	0	112.2	Y294 Y297 G316 L323 C324 V471 F508	Y294-L320 HydrophobicContact CD1-CD2 4.44Å; Y294-L320 HydrophobicContact CD2-CD2 3.92Å; Y294-L320 HydrophobicContact CE1-CD2 4.17Å; Y294-L320 HydrophobicContact CE2-CB 4.46Å; Y294-L320 HydrophobicContact CE2-CD2 3.65Å; Y294-L320 HydrophobicContact CE2-CG 4.47Å; Y294-L320 HydrophobicContact CG-CD2 4.31Å; Y297-L320 HydrophobicContact CD1-CD2 3.53Å; Y297-L320 HydrophobicContact CD1-CG 3.94Å; Y297-L320 HydrophobicContact CE1-CD2 4.15Å; Y297-L320 HydrophobicContact CE1-CG 4.04Å; Y297-L320 HydrophobicContact CG-CD2 4.38Å; G316-L320 WeakPolarHBondContact O-CG 3.14Å; G316-L320 PolarHBondContact O-N 3.35Å; L320-L323 WeakPolarHBondContact O-CB 3.26Å; L320-L323 PolarHBondContact O-N 3.25Å; L320-C324 PolarHBondContact O-N 2.95Å; L320-C324 PolarHBondContact O-SG 3.18Å; L320-V471 HydrophobicContact CB-CG1 3.8Å; L320-V471 HydrophobicContact CD1-CB 4.49Å; L320-F508 HydrophobicContact CD1-CD1 3.78Å; L320-F508 HydrophobicContact CD1-CE1 3.91Å
321	R	89	Confident	84.2	Confident	40 Å²	40	40.3 Å²	40.3	15%	0.151	20%	0.195	C	C	.	.	H	α-helix	trans	-65.9	-40.8	174.8	-72.7	179.1	74.9	-173.2	10.8	112.5	L317 Y319 L323 C324 N325 P437 V471 I475	L317-R321 WeakPolarHBondContact O-CB 3.48Å; L317-R321 WeakPolarHBondContact O-CG 3.1Å; L317-R321 PolarHBondContact O-N 2.75Å; Y319-R321 VanDerWaalsContact C-N 3.31Å; Y319-R321 PolarHBondContact O-N 2.86Å; R321-L323 VanDerWaalsContact C-N 3.31Å; R321-L323 PolarHBondContact O-N 2.93Å; R321-C324 PolarHBondContact O-N 3.49Å; R321-N325 PolarHBondContact O-N 3.32Å; R321-N325 VanDerWaalsContact O-N 3.16Å; R321-P437 PolarHBondContact NH2-O 3.28Å; R321-V471 HydrophobicContact CG-CG1 4.31Å; R321-I475 HydrophobicContact CG-CD1 4.23Å
322	K	88.1	Confident	83.5	Confident	64 Å²	64	40.6 Å²	40.6	28%	0.278	20%	0.201	S	C	.	.	H	α-helix	trans	-60.1	-44.1	173.6	-77.2	175.9	179	-174.6	0	110.9	T318 Y319 N325 H326 L329 V330	T318-K322 HydrophobicContact CG2-CD 4.44Å; T318-K322 VanDerWaalsContact O-CG 3.3Å; T318-K322 WeakPolarHBondContact O-CG 3.47Å; T318-K322 PolarHBondContact O-N 2.83Å; Y319-K322 WeakPolarHBondContact O-CB 3.36Å; Y319-K322 PolarHBondContact O-N 3.15Å; Y319-K322 VanDerWaalsContact O-N 3.11Å; K322-N325 WeakPolarHBondContact O-CB 3.34Å; K322-N325 PolarHBondContact O-N 2.89Å; K322-H326 PolarHBondContact O-N 3.12Å; K322-L329 HydrophobicContact CB-CB 3.91Å; K322-L329 HydrophobicContact CB-CD1 4.49Å; K322-L329 HydrophobicContact CG-CB 4.39Å; K322-V330 HydrophobicContact CB-CG2 3.88Å
323	L	88.4	Confident	82.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.7	-44	177.4	178.4	58.9	0	0	0	112.7	Q290 I293 Y294 Y319 L320 R321 N325 H326 P327 V330	Q290-L323 HydrophobicContact CB-CD1 4.43Å; Q290-L323 HydrophobicContact CG-CD1 4.42Å; Q290-L323 PolarHBondContact NE2-O 3.46Å; I293-L323 HydrophobicContact CB-CD1 3.85Å; I293-L323 HydrophobicContact CB-CD2 4.12Å; I293-L323 HydrophobicContact CD1-CD1 4.12Å; I293-L323 HydrophobicContact CG2-CD1 3.75Å; I293-L323 HydrophobicContact CG2-CD2 3.87Å; I293-L323 HydrophobicContact CG2-CG 4.45Å; Y294-L323 HydrophobicContact CD2-CD2 3.85Å; Y294-L323 HydrophobicContact CG-CD2 4.16Å; Y319-L323 PolarHBondContact O-N 2.89Å; L320-L323 WeakPolarHBondContact O-CB 3.26Å; L320-L323 PolarHBondContact O-N 3.25Å; R321-L323 VanDerWaalsContact C-N 3.31Å; R321-L323 PolarHBondContact O-N 2.93Å; L323-N325 PolarHBondContact O-N 3.07Å; L323-H326 CarbonylContact O-C 3.44Å; L323-H326 PolarHBondContact O-N 3.16Å; L323-P327 HydrophobicContact CD1-CB 4.3Å; L323-V330 HydrophobicContact CB-CG2 4.13Å
324	C	89	Confident	81.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.6	-35.2	176.5	-67.4	0	0	0	0	112	Q290 L320 R321 E472	Q290-C324 PolarHBondContact NE2-O 2.87Å; L320-C324 PolarHBondContact O-N 2.95Å; L320-C324 PolarHBondContact O-SG 3.18Å; R321-C324 PolarHBondContact O-N 3.49Å; C324-E472 HydrophobicContact CB-CG 4.09Å
325	N	88.5	Confident	80.4	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-73.5	-51.7	175.8	-73.8	-19.2	0	0	0	112.4	R321 K322 L323 L329 S341 K343 V370 F435 D436	R321-N325 PolarHBondContact O-N 3.32Å; R321-N325 VanDerWaalsContact O-N 3.16Å; K322-N325 WeakPolarHBondContact O-CB 3.34Å; K322-N325 PolarHBondContact O-N 2.89Å; L323-N325 PolarHBondContact O-N 3.07Å; N325-L329 HydrophobicContact CB-CD1 3.91Å; N325-S341 WeakPolarHBondContact O-CB 3.4Å; N325-S341 PolarHBondContact O-OG 2.9Å; N325-K343 PolarHBondContact OD1-NZ 2.97Å; N325-V370 HydrophobicContact CB-CG2 4.27Å; N325-F435 HydrophobicContact CB-CE1 3.87Å; N325-F435 WeakPolarHBondContact OD1-CE1 3.33Å; N325-D436 PolarHBondContact ND2-OD2 3.3Å
326	H	86.3	Confident	79.5	Confident	6 Å²	6	42.4 Å²	42.4	3%	0.028	22%	0.216	C	C	.	.			trans	-162.4	137.8	176.6	-158.6	-84.4	0	0	0	111.9	K322 L323 D328 L329 F337 S341	K322-H326 PolarHBondContact O-N 3.12Å; L323-H326 CarbonylContact O-C 3.44Å; L323-H326 PolarHBondContact O-N 3.16Å; H326-D328 VanDerWaalsContact C-N 3.29Å; H326-D328 VanDerWaalsContact CE1-CG 3.49Å; H326-D328 IonicContact CE1-OD2 3.33Å; H326-D328 PolarHBondContact CE1-OD2 3.05Å; H326-D328 WeakPolarHBondContact ND1-CB 3.44Å; H326-D328 PolarHBondContact ND1-N 3Å; H326-D328 VanDerWaalsContact ND1-N 3.14Å; H326-D328 IonicContact ND1-OD2 3.14Å; H326-D328 PolarHBondContact O-N 2.85Å; H326-L329 HydrophobicContact CB-CD1 4.08Å; H326-L329 HydrophobicContact CB-CG 4.09Å; H326-L329 WeakPolarHBondContact O-CB 3.29Å; H326-L329 PolarHBondContact O-N 2.64Å; H326-L329 VanDerWaalsContact O-N 3.15Å; H326-F337 PolarHBondContact NE2-O 2.83Å; H326-S341 WeakPolarHBondContact CD2-CB 3.15Å
327	P	85.9	Confident	78.9	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-33.8	178.8	23.8	-33.1	0	0	0	113.6	Q290 I293 L323 L329 V330 K331 R340	Q290-P327 HydrophobicContact CG-CB 4.17Å; Q290-P327 HydrophobicContact CG-CG 4.06Å; I293-P327 HydrophobicContact CD1-CB 3.68Å; L323-P327 HydrophobicContact CD1-CB 4.3Å; P327-L329 PolarHBondContact O-N 3.49Å; P327-V330 PolarHBondContact O-N 3.42Å; P327-V330 VanDerWaalsContact O-N 3.13Å; P327-K331 PolarHBondContact O-N 3.45Å; P327-K331 VanDerWaalsContact O-N 3.13Å; P327-R340 HydrophobicContact CG-CB 3.75Å
328	D	82.9	Confident	78.5	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-66.2	-20.6	178.1	-61.7	-15.8	0	0	0	113.8	H326 V330 Y335 R340	H326-D328 VanDerWaalsContact C-N 3.29Å; H326-D328 VanDerWaalsContact CE1-CG 3.49Å; H326-D328 IonicContact CE1-OD2 3.33Å; H326-D328 PolarHBondContact CE1-OD2 3.05Å; H326-D328 WeakPolarHBondContact ND1-CB 3.44Å; H326-D328 PolarHBondContact ND1-N 3Å; H326-D328 VanDerWaalsContact ND1-N 3.14Å; H326-D328 IonicContact ND1-OD2 3.14Å; H326-D328 PolarHBondContact O-N 2.85Å; D328-V330 PolarHBondContact O-N 3.43Å; D328-Y335 HydrophobicContact CB-CD1 4.03Å; D328-Y335 HydrophobicContact CB-CE1 4.5Å; D328-R340 IonicContact OD1-CZ 2.74Å; D328-R340 IonicContact OD1-NH1 3.82Å; D328-R340 PolarHBondContact OD1-NH1 3.27Å; D328-R340 IonicContact OD1-NH2 2.68Å; D328-R340 IonicContact OD2-NH1 3.25Å
329	L	80.9	Confident	78.2	Confident	16 Å²	16	51.7 Å²	51.7	8%	0.084	25%	0.246	C	C	.	.	H	α-helix	trans	-66.2	-9.4	175	-68.8	172.3	0	0	0	113.1	K322 N325 H326 P327 Q369 V370 Y373	K322-L329 HydrophobicContact CB-CB 3.91Å; K322-L329 HydrophobicContact CB-CD1 4.49Å; K322-L329 HydrophobicContact CG-CB 4.39Å; N325-L329 HydrophobicContact CB-CD1 3.91Å; H326-L329 HydrophobicContact CB-CD1 4.08Å; H326-L329 HydrophobicContact CB-CG 4.09Å; H326-L329 WeakPolarHBondContact O-CB 3.29Å; H326-L329 PolarHBondContact O-N 2.64Å; H326-L329 VanDerWaalsContact O-N 3.15Å; P327-L329 PolarHBondContact O-N 3.49Å; L329-Q369 HydrophobicContact CD2-CB 4.07Å; L329-V370 HydrophobicContact CD1-CG2 3.86Å; L329-Y373 HydrophobicContact CD1-CE1 4.36Å
330	V	81.6	Confident	78	Confident	37 Å²	37	52.1 Å²	52.1	22%	0.224	25%	0.247	C	C	.	.	H	α-helix	trans	-119.6	-53.7	-174.3	170.6	0	0	0	0	111.5	I293 Y319 K322 L323 P327 D328	I293-V330 HydrophobicContact CG2-CG1 4.49Å; Y319-V330 HydrophobicContact CD1-CG1 4.5Å; Y319-V330 HydrophobicContact CD2-CG1 4.1Å; Y319-V330 HydrophobicContact CD2-CG2 4.49Å; Y319-V330 HydrophobicContact CE1-CG1 3.71Å; Y319-V330 HydrophobicContact CE1-CG2 4.41Å; Y319-V330 HydrophobicContact CE2-CB 4.41Å; Y319-V330 HydrophobicContact CE2-CG1 3.27Å; Y319-V330 HydrophobicContact CE2-CG2 4.41Å; Y319-V330 WeakPolarHBondContact OH-CG1 3.27Å; K322-V330 HydrophobicContact CB-CG2 3.88Å; L323-V330 HydrophobicContact CB-CG2 4.13Å; P327-V330 PolarHBondContact O-N 3.42Å; P327-V330 VanDerWaalsContact O-N 3.13Å; D328-V330 PolarHBondContact O-N 3.43Å
331	K	73.2	Confident	77.9	Confident	114 Å²	114	52.1 Å²	52.1	50%	0.496	25%	0.247	S	C	.	.	H	α-helix	trans	-92.9	-28.3	-170.3	-78.9	-160.5	170.6	-177.3	0	115.8	I293 E296 P327	I293-K331 HydrophobicContact CD1-CD 3.76Å; I293-K331 HydrophobicContact CD1-CG 4.16Å; I293-K331 HydrophobicContact CG1-CD 3.85Å; I293-K331 HydrophobicContact CG2-CD 4.45Å; I293-K331 HydrophobicContact CG2-CG 4.46Å; E296-K331 IonicContact OE1-NZ 2.61Å; E296-K331 WeakPolarHBondContact OE2-CE 3.27Å; E296-K331 IonicContact OE2-NZ 2.61Å; E296-K331 PolarHBondContact OE2-NZ 3.48Å; P327-K331 PolarHBondContact O-N 3.45Å; P327-K331 VanDerWaalsContact O-N 3.13Å
332	S	62.5	Low	77.7	Confident	46 Å²	46	50.4 Å²	50.4	32%	0.322	24%	0.242	S	C	.	.			trans	-139.9	134.2	-168.8	-176.4	0	0	0	0	112.9	S334	S332-S334 VanDerWaalsContact C-N 3.27Å; S332-S334 PolarHBondContact OG-N 2.97Å; S332-S334 VanDerWaalsContact OG-N 3.14Å
333	K	57.7	Low	77.6	Confident	188 Å²	188	47.4 Å²	47.4	82%	0.817	23%	0.229	S	C	*	.	S	Bend	trans	-77.1	-14.8	170.1	-67.2	-176.6	-178.3	176.5	0	112.9	Y335	K333-Y335 WeakPolarHBondContact O-CD2 3.33Å; K333-Y335 WeakPolarHBondContact O-CE2 3.36Å; K333-Y335 PolarHBondContact O-N 2.98Å; K333-Y335 VanDerWaalsContact O-N 3.14Å
334	S	56.9	Low	77.5	Confident	96 Å²	96	47.4 Å²	47.4	67%	0.671	23%	0.229	S	C	*	.			trans	-82.2	88.9	175.5	-175.8	0	0	0	0	108.8	S332	S332-S334 VanDerWaalsContact C-N 3.27Å; S332-S334 PolarHBondContact OG-N 2.97Å; S332-S334 VanDerWaalsContact OG-N 3.14Å
335	Y	63.5	Low	77.3	Confident	107 Å²	107	48.3 Å²	48.3	42%	0.42	24%	0.235	S	C	.	.			trans	-76.6	138.2	178.2	-52.7	-69.2	0	0	0	110.3	D328 K333	D328-Y335 HydrophobicContact CB-CD1 4.03Å; D328-Y335 HydrophobicContact CB-CE1 4.5Å; K333-Y335 WeakPolarHBondContact O-CD2 3.33Å; K333-Y335 WeakPolarHBondContact O-CE2 3.36Å; K333-Y335 PolarHBondContact O-N 2.98Å; K333-Y335 VanDerWaalsContact O-N 3.14Å
336	G	62.3	Low	77.1	Confident	28 Å²	28	48.2 Å²	48.2	29%	0.289	23%	0.234	S	C	.	.			trans	179.4	-39.8	166.6	0	0	0	0	0	117.5	W338	G336-W338 PolarHBondContact O-N 3.05Å
337	F	72.6	Confident	77.1	Confident	113 Å²	113	48 Å²	48	50%	0.496	23%	0.233	S	C	.	.			trans	-93.4	93	-168.1	-158.6	-125.4	0	0	0	112.9	H326 R339 R340	H326-F337 PolarHBondContact NE2-O 2.83Å; F337-R339 HydrophobicContact CD1-CB 3.99Å; F337-R339 HydrophobicContact CE1-CB 3.56Å; F337-R339 HydrophobicContact CE1-CG 4.17Å; F337-R339 HydrophobicContact CE2-CG 4.38Å; F337-R339 HydrophobicContact CZ-CB 3.89Å; F337-R339 HydrophobicContact CZ-CG 3.95Å; F337-R339 PolarHBondContact O-N 2.94Å; F337-R339 VanDerWaalsContact O-N 3.09Å; F337-R340 HydrophobicContact CB-CG 4.06Å; F337-R340 HydrophobicContact CD1-CG 3.68Å; F337-R340 HydrophobicContact CG-CG 4.33Å; F337-R340 WeakPolarHBondContact O-CB 3.14Å; F337-R340 WeakPolarHBondContact O-CG 3.5Å; F337-R340 PolarHBondContact O-N 2.94Å; F337-R340 VanDerWaalsContact O-N 3.11Å
338	W	76.7	Confident	77.1	Confident	20 Å²	20	48.9 Å²	48.9	8%	0.076	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-55.3	-28.3	-178.6	62.4	-91.7	0	0	0	114.1	G336 R340 S341 M344 V345 E348 F377	G336-W338 PolarHBondContact O-N 3.05Å; W338-R340 PolarHBondContact O-N 3.43Å; W338-R340 VanDerWaalsContact O-N 3.13Å; W338-S341 PolarHBondContact O-N 3.23Å; W338-M344 HydrophobicContact CB-CB 4.28Å; W338-M344 HydrophobicContact CB-CE 4.05Å; W338-M344 WeakPolarHBondContact O-CB 3.31Å; W338-V345 HydrophobicContact CE3-CG2 4.45Å; W338-V345 HydrophobicContact CZ3-CG2 4.26Å; W338-E348 HydrophobicContact CE3-CB 3.96Å; W338-E348 HydrophobicContact CE3-CG 4.34Å; W338-E348 HydrophobicContact CH2-CB 3.97Å; W338-E348 HydrophobicContact CH2-CG 3.59Å; W338-E348 HydrophobicContact CZ2-CG 4.02Å; W338-E348 HydrophobicContact CZ3-CB 3.58Å; W338-E348 HydrophobicContact CZ3-CG 3.77Å; W338-F377 HydrophobicContact CB-CD2 3.78Å; W338-F377 HydrophobicContact CB-CE2 4.42Å; W338-F377 HydrophobicContact CB-CG 4.39Å; W338-F377 AromaticContact CD1-CD2 3.52Å; W338-F377 HydrophobicContact CD2-CD2 4.03Å; W338-F377 AromaticContact CD2-CE2 3.89Å; W338-F377 HydrophobicContact CD2-CE2 3.89Å; W338-F377 HydrophobicContact CE3-CE2 4.41Å; W338-F377 AromaticContact CG-CD2 3.5Å; W338-F377 HydrophobicContact CG-CD2 3.5Å; W338-F377 AromaticContact CG-CE2 3.89Å; W338-F377 HydrophobicContact CG-CE2 3.89Å
339	R	80.9	Confident	77	Confident	143 Å²	143	49 Å²	49	54%	0.54	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-66.4	-13.1	-179.9	-63.7	-170.3	178.3	-162.2	0	114.3	F337 S341	F337-R339 HydrophobicContact CD1-CB 3.99Å; F337-R339 HydrophobicContact CE1-CB 3.56Å; F337-R339 HydrophobicContact CE1-CG 4.17Å; F337-R339 HydrophobicContact CE2-CG 4.38Å; F337-R339 HydrophobicContact CZ-CB 3.89Å; F337-R339 HydrophobicContact CZ-CG 3.95Å; F337-R339 PolarHBondContact O-N 2.94Å; F337-R339 VanDerWaalsContact O-N 3.09Å; R339-S341 PolarHBondContact O-N 2.76Å
340	R	83.4	Confident	77.3	Confident	69 Å²	69	48.3 Å²	48.3	26%	0.26	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-74.3	-14.8	178.8	-57.5	179.8	68.6	-162.1	-7.8	113	T287 E289 P327 D328 F337 W338	T287-R340 VanDerWaalsContact CG2-O 3.27Å; T287-R340 WeakPolarHBondContact CG2-O 3.34Å; T287-R340 PolarHBondContact OG1-O 2.91Å; E289-R340 IonicContact OE1-NE 3.42Å; E289-R340 IonicContact OE2-CZ 3.95Å; E289-R340 IonicContact OE2-NE 3.15Å; E289-R340 PolarHBondContact OE2-NE 3.34Å; E289-R340 IonicContact OE2-NH2 3.71Å; E289-R340 PolarHBondContact OE2-NH2 3.06Å; P327-R340 HydrophobicContact CG-CB 3.75Å; D328-R340 IonicContact OD1-CZ 2.74Å; D328-R340 IonicContact OD1-NH1 3.82Å; D328-R340 PolarHBondContact OD1-NH1 3.27Å; D328-R340 IonicContact OD1-NH2 2.68Å; D328-R340 IonicContact OD2-NH1 3.25Å; F337-R340 HydrophobicContact CB-CG 4.06Å; F337-R340 HydrophobicContact CD1-CG 3.68Å; F337-R340 HydrophobicContact CG-CG 4.33Å; F337-R340 WeakPolarHBondContact O-CB 3.14Å; F337-R340 WeakPolarHBondContact O-CG 3.5Å; F337-R340 PolarHBondContact O-N 2.94Å; F337-R340 VanDerWaalsContact O-N 3.11Å; W338-R340 PolarHBondContact O-N 3.43Å; W338-R340 VanDerWaalsContact O-N 3.13Å
341	S	86.1	Confident	77.6	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-109.8	128.1	177.4	169.1	0	0	0	0	111.7	N325 H326 W338 R339 K343 M344 V345	N325-S341 WeakPolarHBondContact O-CB 3.4Å; N325-S341 PolarHBondContact O-OG 2.9Å; H326-S341 WeakPolarHBondContact CD2-CB 3.15Å; W338-S341 PolarHBondContact O-N 3.23Å; R339-S341 PolarHBondContact O-N 2.76Å; S341-K343 VanDerWaalsContact C-N 3.29Å; S341-K343 PolarHBondContact O-N 2.87Å; S341-K343 PolarHBondContact OG-N 3.33Å; S341-M344 PolarHBondContact O-N 3.49Å; S341-M344 VanDerWaalsContact O-N 3.1Å; S341-M344 PolarHBondContact OG-N 2.9Å; S341-V345 WeakPolarHBondContact O-CG2 3.21Å; S341-V345 PolarHBondContact O-N 3.36Å
342	G	83.5	Confident	78.1	Confident	4 Å²	4	47 Å²	47	4%	0.041	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-39.4	178.6	0	0	0	0	0	112.3	Q290 M344 V345 V346	Q290-G342 VanDerWaalsContact OE1-N 3.11Å; G342-M344 VanDerWaalsContact C-N 3.34Å; G342-M344 PolarHBondContact O-N 3.38Å; G342-V345 PolarHBondContact O-N 3.49Å; G342-V346 WeakPolarHBondContact O-CG2 3.41Å; G342-V346 PolarHBondContact O-N 3.03Å
343	K	87.3	Confident	79.1	Confident	1 Å²	1	46 Å²	46	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-63.7	-38.4	174.9	-71.1	-170.1	177.1	-170.9	0	112.7	C284 N325 S341 V346 L347 F435 L465 T467 E472	C284-K343 HydrophobicContact CB-CG 4.03Å; N325-K343 PolarHBondContact OD1-NZ 2.97Å; S341-K343 VanDerWaalsContact C-N 3.29Å; S341-K343 PolarHBondContact O-N 2.87Å; S341-K343 PolarHBondContact OG-N 3.33Å; K343-V346 PolarHBondContact O-N 3.48Å; K343-L347 WeakPolarHBondContact O-CB 3.33Å; K343-L347 PolarHBondContact O-N 3.19Å; K343-F435 HydrophobicContact CB-CE2 3.84Å; K343-F435 HydrophobicContact CB-CZ 3.66Å; K343-F435 HydrophobicContact CD-CE1 4.03Å; K343-F435 HydrophobicContact CD-CE2 4.48Å; K343-F435 HydrophobicContact CD-CZ 3.98Å; K343-F435 PolarHBondContact NZ-O 3.04Å; K343-L465 HydrophobicContact CD-CB 4.37Å; K343-L465 PolarHBondContact NZ-O 2.92Å; K343-T467 WeakPolarHBondContact CE-OG1 3.23Å; K343-E472 WeakPolarHBondContact CE-OE2 3.33Å; K343-E472 IonicContact NZ-OE1 3.04Å; K343-E472 PolarHBondContact NZ-OE1 3.35Å; K343-E472 IonicContact NZ-OE2 3.9Å; K343-E472 PolarHBondContact NZ-OE2 2.95Å
344	M	86	Confident	80.5	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-70	-35.4	179.4	-73.5	-56.6	-69.4	0	0	112.5	W338 S341 G342 V346 L347 E348 Y373 F377 F435	W338-M344 HydrophobicContact CB-CB 4.28Å; W338-M344 HydrophobicContact CB-CE 4.05Å; W338-M344 WeakPolarHBondContact O-CB 3.31Å; S341-M344 PolarHBondContact O-N 3.49Å; S341-M344 VanDerWaalsContact O-N 3.1Å; S341-M344 PolarHBondContact OG-N 2.9Å; G342-M344 VanDerWaalsContact C-N 3.34Å; G342-M344 PolarHBondContact O-N 3.38Å; M344-V346 VanDerWaalsContact C-N 3.34Å; M344-L347 HydrophobicContact CE-CD2 4.12Å; M344-L347 PolarHBondContact O-N 2.97Å; M344-L347 HydrophobicContact SD-CD2 3.77Å; M344-E348 PolarHBondContact O-N 2.87Å; M344-Y373 HydrophobicContact CE-CD2 3.68Å; M344-Y373 HydrophobicContact CE-CE2 3.6Å; M344-Y373 HydrophobicContact CG-CE2 4.22Å; M344-Y373 HydrophobicContact SD-CD2 3.82Å; M344-Y373 HydrophobicContact SD-CE2 3.17Å; M344-Y373 WeakPolarHBondContact SD-CE2 3.18Å; M344-F377 HydrophobicContact CE-CB 4.31Å; M344-F377 HydrophobicContact CE-CD1 4.05Å; M344-F377 HydrophobicContact CE-CD2 4.5Å; M344-F377 HydrophobicContact CE-CG 4Å; M344-F435 HydrophobicContact CG-CZ 4.35Å; M344-F435 HydrophobicContact SD-CE2 3.72Å; M344-F435 HydrophobicContact SD-CZ 3.86Å
345	V	84.3	Confident	81.9	Confident	19 Å²	19	36.6 Å²	36.6	12%	0.115	16%	0.164	C	C	.	.	H	α-helix	trans	-61.2	-44.7	172.8	174.1	0	0	0	0	111	W338 S341 G342 S349 A649	W338-V345 HydrophobicContact CE3-CG2 4.45Å; W338-V345 HydrophobicContact CZ3-CG2 4.26Å; S341-V345 WeakPolarHBondContact O-CG2 3.21Å; S341-V345 PolarHBondContact O-N 3.36Å; G342-V345 PolarHBondContact O-N 3.49Å; V345-S349 PolarHBondContact O-N 3Å; V345-S349 PolarHBondContact O-OG 3.32Å; V345-A649 HydrophobicContact CG1-CB 4.33Å
346	V	84.5	Confident	83	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-64.6	-44	175.3	176.8	0	0	0	0	110.8	L282 G342 K343 M344 E348 S349 M350 L465 A649 I650	L282-V346 HydrophobicContact CD1-CG1 4.29Å; G342-V346 WeakPolarHBondContact O-CG2 3.41Å; G342-V346 PolarHBondContact O-N 3.03Å; K343-V346 PolarHBondContact O-N 3.48Å; M344-V346 VanDerWaalsContact C-N 3.34Å; V346-E348 PolarHBondContact O-N 2.86Å; V346-S349 PolarHBondContact O-N 3.3Å; V346-M350 HydrophobicContact CG1-CG 4.4Å; V346-M350 HydrophobicContact CG1-SD 3.89Å; V346-M350 VanDerWaalsContact O-CG 3.27Å; V346-M350 WeakPolarHBondContact O-CG 3.41Å; V346-M350 PolarHBondContact O-N 3.3Å; V346-L465 HydrophobicContact CG1-CD2 4.12Å; V346-A649 HydrophobicContact CG2-CB 4.12Å; V346-I650 HydrophobicContact CG1-CD1 4.25Å; V346-I650 HydrophobicContact CG1-CG1 4.25Å; V346-I650 HydrophobicContact CG2-CG1 3.79Å
347	L	87.5	Confident	84.1	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-59.6	-46.4	178.8	-179.5	64.8	0	0	0	112.4	K343 M344 S349 M350 L351 L363 I433 F435	K343-L347 WeakPolarHBondContact O-CB 3.33Å; K343-L347 PolarHBondContact O-N 3.19Å; M344-L347 HydrophobicContact CE-CD2 4.12Å; M344-L347 PolarHBondContact O-N 2.97Å; M344-L347 HydrophobicContact SD-CD2 3.77Å; L347-S349 VanDerWaalsContact C-N 3.34Å; L347-S349 PolarHBondContact O-N 2.89Å; L347-M350 PolarHBondContact O-N 2.93Å; L347-L351 HydrophobicContact CD1-CD1 4.05Å; L347-L351 HydrophobicContact CD1-CG 4.09Å; L347-L351 HydrophobicContact CD2-CD1 4.48Å; L347-L351 HydrophobicContact CG-CD1 3.89Å; L347-L351 HydrophobicContact CG-CG 4.31Å; L347-L351 WeakPolarHBondContact O-CB 3.35Å; L347-L351 VanDerWaalsContact O-CG 3.3Å; L347-L351 WeakPolarHBondContact O-CG 3.34Å; L347-L351 PolarHBondContact O-N 3.43Å; L347-L363 HydrophobicContact CD1-CD1 3.99Å; L347-L363 HydrophobicContact CD1-CD2 4.3Å; L347-L363 HydrophobicContact CD2-CD2 4.06Å; L347-I433 HydrophobicContact CD1-CD1 3.47Å; L347-I433 VanDerWaalsContact CD1-CD1 3.47Å; L347-I433 HydrophobicContact CD1-CG2 4.39Å; L347-F435 HydrophobicContact CD2-CD2 4.08Å; L347-F435 HydrophobicContact CD2-CE2 4.02Å
348	E	84.9	Confident	84.9	Confident	19 Å²	19	36.6 Å²	36.6	9%	0.089	18%	0.182	C	C	.	.	H	α-helix	trans	-59.6	-46.1	178.2	-178	-85	164.6	0	0	111.3	W338 M344 V346 M350 L351 K352 F377	W338-E348 HydrophobicContact CE3-CB 3.96Å; W338-E348 HydrophobicContact CE3-CG 4.34Å; W338-E348 HydrophobicContact CH2-CB 3.97Å; W338-E348 HydrophobicContact CH2-CG 3.59Å; W338-E348 HydrophobicContact CZ2-CG 4.02Å; W338-E348 HydrophobicContact CZ3-CB 3.58Å; W338-E348 HydrophobicContact CZ3-CG 3.77Å; M344-E348 PolarHBondContact O-N 2.87Å; V346-E348 PolarHBondContact O-N 2.86Å; E348-M350 VanDerWaalsContact C-N 3.29Å; E348-M350 PolarHBondContact O-N 2.97Å; E348-L351 PolarHBondContact O-N 3.21Å; E348-K352 WeakPolarHBondContact O-CB 3.36Å; E348-K352 PolarHBondContact O-N 2.95Å; E348-F377 HydrophobicContact CB-CE2 3.86Å; E348-F377 HydrophobicContact CB-CZ 3.6Å; E348-F377 HydrophobicContact CG-CE2 3.72Å; E348-F377 HydrophobicContact CG-CZ 3.66Å
349	S	81.5	Confident	85.6	Confident	8 Å²	8	37.1 Å²	37.1	6%	0.056	19%	0.185	C	C	.	.	H	α-helix	trans	-62.3	-37.9	179.1	-67.3	0	0	0	0	112	V345 V346 L347 L353	V345-S349 PolarHBondContact O-N 3Å; V345-S349 PolarHBondContact O-OG 3.32Å; V346-S349 PolarHBondContact O-N 3.3Å; L347-S349 VanDerWaalsContact C-N 3.34Å; L347-S349 PolarHBondContact O-N 2.89Å; S349-L353 WeakPolarHBondContact O-CB 3.26Å; S349-L353 PolarHBondContact O-N 2.87Å
350	M	85.6	Confident	86.2	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-67.4	-47.2	175	-68.3	175.1	81.4	0	0	112.2	L282 V346 L347 E348 K352 L353 W354 I433 F463 L465 L629	L282-M350 HydrophobicContact CD1-CE 4.14Å; L282-M350 HydrophobicContact CD1-SD 3.98Å; V346-M350 HydrophobicContact CG1-CG 4.4Å; V346-M350 HydrophobicContact CG1-SD 3.89Å; V346-M350 VanDerWaalsContact O-CG 3.27Å; V346-M350 WeakPolarHBondContact O-CG 3.41Å; V346-M350 PolarHBondContact O-N 3.3Å; L347-M350 PolarHBondContact O-N 2.93Å; E348-M350 VanDerWaalsContact C-N 3.29Å; E348-M350 PolarHBondContact O-N 2.97Å; M350-K352 PolarHBondContact O-N 3.11Å; M350-L353 PolarHBondContact O-N 3.37Å; M350-W354 HydrophobicContact CE-CH2 3.44Å; M350-W354 VanDerWaalsContact CE-CH2 3.44Å; M350-W354 HydrophobicContact CE-CZ2 3.55Å; M350-W354 HydrophobicContact CE-CZ3 4.34Å; M350-W354 WeakPolarHBondContact O-CB 3.39Å; M350-W354 VanDerWaalsContact O-CG 3.27Å; M350-W354 PolarHBondContact O-N 3.33Å; M350-I433 HydrophobicContact CB-CD1 4.48Å; M350-I433 HydrophobicContact CE-CD1 4.03Å; M350-I433 HydrophobicContact CE-CG1 4.24Å; M350-I433 HydrophobicContact SD-CD1 4.2Å; M350-F463 HydrophobicContact CE-CB 3.69Å; M350-F463 HydrophobicContact CE-CD1 4.15Å; M350-F463 HydrophobicContact CE-CD2 3.23Å; M350-F463 HydrophobicContact CE-CE2 3.76Å; M350-F463 HydrophobicContact CE-CG 3.42Å; M350-F463 VanDerWaalsContact CE-CG 3.42Å; M350-F463 HydrophobicContact CE-CZ 4.43Å; M350-L465 HydrophobicContact SD-CD2 4.35Å; M350-L629 HydrophobicContact CB-CD2 4.46Å; M350-L629 HydrophobicContact CG-CD1 3.92Å; M350-L629 HydrophobicContact CG-CD2 3.55Å; M350-L629 HydrophobicContact CG-CG 4.36Å
351	L	88	Confident	86.6	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-41.6	-179	-70.2	175.8	0	0	0	111.8	L347 E348 L353 W354 K355 V361 F377 L378 Y383 F411 I412	L347-L351 HydrophobicContact CD1-CD1 4.05Å; L347-L351 HydrophobicContact CD1-CG 4.09Å; L347-L351 HydrophobicContact CD2-CD1 4.48Å; L347-L351 HydrophobicContact CG-CD1 3.89Å; L347-L351 HydrophobicContact CG-CG 4.31Å; L347-L351 WeakPolarHBondContact O-CB 3.35Å; L347-L351 VanDerWaalsContact O-CG 3.3Å; L347-L351 WeakPolarHBondContact O-CG 3.34Å; L347-L351 PolarHBondContact O-N 3.43Å; E348-L351 PolarHBondContact O-N 3.21Å; L351-L353 PolarHBondContact O-N 3.27Å; L351-W354 PolarHBondContact O-N 2.89Å; L351-K355 WeakPolarHBondContact O-CB 3.45Å; L351-K355 PolarHBondContact O-N 3.14Å; L351-V361 HydrophobicContact CD2-CB 4.33Å; L351-V361 HydrophobicContact CD2-CG1 4.12Å; L351-V361 HydrophobicContact CD2-CG2 3.98Å; L351-F377 HydrophobicContact CD1-CE1 3.81Å; L351-F377 HydrophobicContact CD1-CZ 4.5Å; L351-L378 HydrophobicContact CD1-CD2 4.12Å; L351-Y383 HydrophobicContact CB-CE2 4.3Å; L351-F411 HydrophobicContact CB-CE1 4.4Å; L351-F411 HydrophobicContact CD2-CE1 4.13Å; L351-F411 HydrophobicContact CD2-CZ 4.33Å; L351-F411 WeakPolarHBondContact O-CZ 2.76Å; L351-I412 HydrophobicContact CD1-CD1 4.12Å; L351-I412 HydrophobicContact CD2-CD1 3.87Å; L351-I412 HydrophobicContact CD2-CG1 4.2Å
352	K	85.3	Confident	86.8	Confident	125 Å²	125	28.7 Å²	28.7	54%	0.543	15%	0.154	S	C	.	.	H	α-helix	trans	-61.1	-45.3	176.2	-173.3	173.8	-174.8	169.4	0	111.9	E348 M350 S356	E348-K352 WeakPolarHBondContact O-CB 3.36Å; E348-K352 PolarHBondContact O-N 2.95Å; M350-K352 PolarHBondContact O-N 3.11Å; K352-S356 PolarHBondContact O-N 3.35Å
353	L	83.4	Confident	87.2	Confident	24 Å²	24	28.6 Å²	28.6	13%	0.126	15%	0.152	C	C	.	.	H	α-helix	trans	-60	-50.5	175.4	178.5	63	0	0	0	110.9	S349 M350 L351 K355 S356 Q357 I625	S349-L353 WeakPolarHBondContact O-CB 3.26Å; S349-L353 PolarHBondContact O-N 2.87Å; M350-L353 PolarHBondContact O-N 3.37Å; L351-L353 PolarHBondContact O-N 3.27Å; L353-K355 PolarHBondContact O-N 3.02Å; L353-S356 PolarHBondContact O-N 2.74Å; L353-S356 PolarHBondContact O-OG 2.98Å; L353-Q357 WeakPolarHBondContact O-CG 3.38Å; L353-Q357 PolarHBondContact O-N 3.14Å; L353-I625 HydrophobicContact CD2-CG2 4.19Å
354	W	87.3	Confident	87.3	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-71.3	-29.6	-175.8	-67.2	-19.9	0	0	0	114.4	M350 L351 S356 Q357 S358 H359 V361 F411 R431 I433 F463	M350-W354 HydrophobicContact CE-CH2 3.44Å; M350-W354 VanDerWaalsContact CE-CH2 3.44Å; M350-W354 HydrophobicContact CE-CZ2 3.55Å; M350-W354 HydrophobicContact CE-CZ3 4.34Å; M350-W354 WeakPolarHBondContact O-CB 3.39Å; M350-W354 VanDerWaalsContact O-CG 3.27Å; M350-W354 PolarHBondContact O-N 3.33Å; L351-W354 PolarHBondContact O-N 2.89Å; W354-S356 VanDerWaalsContact C-N 3.34Å; W354-Q357 CarbonylContact O-C 3.49Å; W354-Q357 PolarHBondContact O-N 3.45Å; W354-S358 PolarHBondContact O-N 3.47Å; W354-H359 HydrophobicContact CB-CB 4.14Å; W354-H359 PolarHBondContact O-N 3.28Å; W354-V361 HydrophobicContact CD2-CG2 4.46Å; W354-V361 HydrophobicContact CE3-CB 4.48Å; W354-V361 HydrophobicContact CE3-CG1 4.18Å; W354-V361 HydrophobicContact CE3-CG2 3.47Å; W354-V361 VanDerWaalsContact CE3-CG2 3.47Å; W354-V361 HydrophobicContact CZ3-CG1 3.81Å; W354-V361 HydrophobicContact CZ3-CG2 3.97Å; W354-F411 HydrophobicContact CB-CE2 4.44Å; W354-F411 HydrophobicContact CB-CZ 4.27Å; W354-R431 HydrophobicContact CD2-CB 4.12Å; W354-R431 HydrophobicContact CD2-CG 3.85Å; W354-R431 HydrophobicContact CE3-CB 3.84Å; W354-R431 HydrophobicContact CE3-CG 4.08Å; W354-R431 HydrophobicContact CG-CG 4.24Å; W354-R431 HydrophobicContact CH2-CB 3.81Å; W354-R431 HydrophobicContact CH2-CG 4.34Å; W354-R431 HydrophobicContact CZ2-CB 4.16Å; W354-R431 HydrophobicContact CZ2-CG 4.2Å; W354-R431 HydrophobicContact CZ3-CB 3.63Å; W354-R431 HydrophobicContact CZ3-CG 4.29Å; W354-I433 HydrophobicContact CE3-CD1 4.39Å; W354-I433 HydrophobicContact CH2-CD1 3.65Å; W354-I433 HydrophobicContact CH2-CG1 3.58Å; W354-I433 HydrophobicContact CZ3-CD1 3.32Å; W354-I433 HydrophobicContact CZ3-CG1 3.6Å; W354-F463 AromaticContact CH2-CD2 3.85Å; W354-F463 HydrophobicContact CH2-CD2 3.85Å; W354-F463 HydrophobicContact CH2-CE2 4.35Å; W354-F463 AromaticContact CZ2-CD2 3.65Å; W354-F463 HydrophobicContact CZ2-CD2 3.65Å; W354-F463 AromaticContact CZ2-CE2 3.67Å; W354-F463 HydrophobicContact CZ2-CE2 3.67Å
355	K	85.9	Confident	87.4	Confident	87 Å²	87	28.9 Å²	28.9	38%	0.378	15%	0.154	S	C	.	.	H	α-helix	trans	-63.5	-43.5	171.4	-173.6	68.6	175.5	-179.9	0	110.6	L351 L353 Q357 S358 Y383 F411	L351-K355 WeakPolarHBondContact O-CB 3.45Å; L351-K355 PolarHBondContact O-N 3.14Å; L353-K355 PolarHBondContact O-N 3.02Å; K355-Q357 PolarHBondContact O-N 3.46Å; K355-S358 PolarHBondContact O-N 3.33Å; K355-S358 VanDerWaalsContact O-N 3.14Å; K355-Y383 HydrophobicContact CB-CE1 4.03Å; K355-Y383 HydrophobicContact CD-CD1 4.31Å; K355-Y383 HydrophobicContact CD-CE1 4.36Å; K355-Y383 HydrophobicContact CG-CD1 4.38Å; K355-Y383 HydrophobicContact CG-CE1 3.93Å; K355-F411 HydrophobicContact CB-CE1 3.98Å; K355-F411 HydrophobicContact CB-CE2 4.05Å; K355-F411 HydrophobicContact CB-CZ 3.68Å; K355-F411 HydrophobicContact CD-CB 4.36Å; K355-F411 HydrophobicContact CD-CD1 3.84Å; K355-F411 HydrophobicContact CD-CD2 3.79Å; K355-F411 HydrophobicContact CD-CE1 4.07Å; K355-F411 HydrophobicContact CD-CE2 3.99Å; K355-F411 HydrophobicContact CD-CG 3.73Å; K355-F411 HydrophobicContact CD-CZ 4.15Å
356	S	86.1	Confident	87.5	Confident	92 Å²	92	29.6 Å²	29.6	64%	0.643	16%	0.156	S	C	*	.	H	α-helix	trans	-63	-28.5	176.9	76.7	0	0	0	0	112.9	K352 L353 W354	K352-S356 PolarHBondContact O-N 3.35Å; L353-S356 PolarHBondContact O-N 2.74Å; L353-S356 PolarHBondContact O-OG 2.98Å; W354-S356 VanDerWaalsContact C-N 3.34Å
357	Q	86.4	Confident	87	Confident	66 Å²	66	30.9 Å²	30.9	31%	0.308	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	2.3	178.9	-65.1	179.9	-37.8	0	0	113.7	L353 W354 K355 H359 Y624	L353-Q357 WeakPolarHBondContact O-CG 3.38Å; L353-Q357 PolarHBondContact O-N 3.14Å; W354-Q357 CarbonylContact O-C 3.49Å; W354-Q357 PolarHBondContact O-N 3.45Å; K355-Q357 PolarHBondContact O-N 3.46Å; Q357-H359 VanDerWaalsContact CB-CD2 3.46Å; Q357-H359 WeakPolarHBondContact CB-CD2 3.26Å; Q357-H359 PolarHBondContact O-N 2.9Å; Q357-Y624 VanDerWaalsContact NE2-CE2 3.33Å
358	S	87.9	Confident	86.1	Confident	90 Å²	90	37.4 Å²	37.4	63%	0.629	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	35	-178.7	-58.1	0	0	0	0	114.5	W354 K355	W354-S358 PolarHBondContact O-N 3.47Å; K355-S358 PolarHBondContact O-N 3.33Å; K355-S358 VanDerWaalsContact O-N 3.14Å
359	H	91.7	Very high	84.9	Confident	30 Å²	30	40.9 Å²	40.9	14%	0.139	21%	0.206	C	C	.	.			trans	-82	162.3	168	-69.7	-57.3	0	0	0	110.8	W354 Q357 F411 D430 R431	W354-H359 HydrophobicContact CB-CB 4.14Å; W354-H359 PolarHBondContact O-N 3.28Å; Q357-H359 VanDerWaalsContact CB-CD2 3.46Å; Q357-H359 WeakPolarHBondContact CB-CD2 3.26Å; Q357-H359 PolarHBondContact O-N 2.9Å; H359-F411 WeakPolarHBondContact O-CD2 3.44Å; H359-F411 WeakPolarHBondContact O-CE2 3.47Å; H359-D430 IonicContact CE1-OD2 2.66Å; H359-D430 IonicContact CG-OD2 3.97Å; H359-D430 IonicContact ND1-OD1 3.03Å; H359-D430 IonicContact ND1-OD2 3.49Å; H359-D430 PolarHBondContact ND1-OD2 3.4Å; H359-R431 HydrophobicContact CB-CG 3.75Å; H359-R431 PolarHBondContact CE1-NH2 3.13Å; H359-R431 PolarHBondContact ND1-NH2 3.42Å; H359-R431 PolarHBondContact NE2-NH2 3.48Å
360	R	92.9	Very high	83.6	Confident	35 Å²	35	40.5 Å²	40.5	13%	0.132	20%	0.203	C	C	.	.			trans	-120.1	140.3	175	-69.7	-168.8	-63	-176	-7.1	110.5	F404 N405 G428 D430 R431	R360-F404 HydrophobicContact CB-CZ 4.5Å; R360-F404 PolarHBondContact NH1-O 3.13Å; R360-F404 VanDerWaalsContact NH1-O 3.08Å; R360-N405 PolarHBondContact NH1-O 3.16Å; R360-G428 PolarHBondContact NE-O 3.43Å; R360-G428 PolarHBondContact NH2-O 3.05Å; R360-D430 PolarHBondContact N-OD1 3.08Å; R360-D430 PolarHBondContact O-N 3.21Å; R360-R431 PolarHBondContact O-N 3.49Å
361	V	92.1	Very high	82.1	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.9	-164.7	-171.8	0	0	0	0	111.3	L351 W354 F411 I412 M413 R431 I433	L351-V361 HydrophobicContact CD2-CB 4.33Å; L351-V361 HydrophobicContact CD2-CG1 4.12Å; L351-V361 HydrophobicContact CD2-CG2 3.98Å; W354-V361 HydrophobicContact CD2-CG2 4.46Å; W354-V361 HydrophobicContact CE3-CB 4.48Å; W354-V361 HydrophobicContact CE3-CG1 4.18Å; W354-V361 HydrophobicContact CE3-CG2 3.47Å; W354-V361 VanDerWaalsContact CE3-CG2 3.47Å; W354-V361 HydrophobicContact CZ3-CG1 3.81Å; W354-V361 HydrophobicContact CZ3-CG2 3.97Å; V361-F411 HydrophobicContact CG2-CE2 3.97Å; V361-F411 HydrophobicContact CG2-CZ 3.92Å; V361-F411 PolarHBondContact N-O 2.88Å; V361-I412 HydrophobicContact CB-CG1 4.2Å; V361-I412 CarbonylContact O-C 3.59Å; V361-I412 WeakPolarHBondContact O-CA 3.45Å; V361-M413 PolarHBondContact O-N 3.06Å; V361-R431 CarbonylContact C-O 3.6Å; V361-R431 VanDerWaalsContact CA-O 3.31Å; V361-R431 WeakPolarHBondContact CA-O 3.13Å; V361-R431 HydrophobicContact CG2-CB 4.22Å; V361-I433 HydrophobicContact CG1-CD1 4.37Å; V361-I433 HydrophobicContact CG1-CG1 4.46Å
362	A	91.8	Very high	80.3	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.008	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	109.7	162.7	0	0	0	0	0	109.1	F364 A429 R431 V432 I433	A362-F364 HydrophobicContact CB-CE2 3.97Å; A362-F364 HydrophobicContact CB-CZ 4.22Å; A362-A429 HydrophobicContact CB-CB 3.62Å; A362-R431 PolarHBondContact N-O 3.24Å; A362-V432 HydrophobicContact CB-CG2 4.43Å; A362-V432 WeakPolarHBondContact O-CA 3.25Å; A362-I433 PolarHBondContact O-N 3.48Å
363	L	90.9	Very high	78.9	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	108.2	-178.8	178.5	62	0	0	0	109.6	L347 K374 I412 M413 L414 S415 I433 F435	L347-L363 HydrophobicContact CD1-CD1 3.99Å; L347-L363 HydrophobicContact CD1-CD2 4.3Å; L347-L363 HydrophobicContact CD2-CD2 4.06Å; L363-K374 HydrophobicContact CD2-CD 3.68Å; L363-K374 HydrophobicContact CG-CD 4.4Å; L363-I412 HydrophobicContact CB-CG2 4.29Å; L363-M413 PolarHBondContact N-O 3.18Å; L363-L414 HydrophobicContact CB-CD2 4.07Å; L363-L414 HydrophobicContact CD2-CD2 3.67Å; L363-L414 HydrophobicContact CG-CD2 4.16Å; L363-S415 PolarHBondContact O-N 3.02Å; L363-I433 HydrophobicContact CD1-CB 3.58Å; L363-I433 HydrophobicContact CD1-CD1 4.49Å; L363-I433 HydrophobicContact CD1-CG2 3.44Å; L363-I433 VanDerWaalsContact CD1-CG2 3.44Å; L363-F435 HydrophobicContact CD1-CB 4.14Å
364	F	90.2	Very high	77.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	142.8	178.4	-61.5	-74.9	0	0	0	112.3	A362 S415 T417 M426 V432 I433 L434 F435 A447	A362-F364 HydrophobicContact CB-CE2 3.97Å; A362-F364 HydrophobicContact CB-CZ 4.22Å; F364-S415 CarbonylContact C-O 3.59Å; F364-S415 VanDerWaalsContact CA-O 3.23Å; F364-S415 WeakPolarHBondContact CA-O 3.07Å; F364-T417 HydrophobicContact CB-CG2 3.8Å; F364-M426 HydrophobicContact CE1-CE 3.74Å; F364-M426 HydrophobicContact CZ-CE 3.48Å; F364-M426 VanDerWaalsContact CZ-CE 3.48Å; F364-M426 HydrophobicContact CZ-SD 4.41Å; F364-V432 HydrophobicContact CD2-CG1 3.71Å; F364-V432 HydrophobicContact CE2-CG1 3.62Å; F364-I433 PolarHBondContact N-O 2.88Å; F364-L434 HydrophobicContact CB-CD2 3.74Å; F364-L434 HydrophobicContact CD2-CD2 3.74Å; F364-L434 HydrophobicContact CG-CD2 4.07Å; F364-F435 VanDerWaalsContact O-CB 3.3Å; F364-F435 WeakPolarHBondContact O-CB 3.4Å; F364-F435 PolarHBondContact O-N 3.48Å; F364-A447 HydrophobicContact CD1-CB 4.02Å; F364-A447 HydrophobicContact CD2-CB 4.19Å; F364-A447 HydrophobicContact CE1-CB 3.9Å; F364-A447 HydrophobicContact CE2-CB 4.05Å; F364-A447 HydrophobicContact CG-CB 4.16Å; F364-A447 HydrophobicContact CZ-CB 3.9Å; F364-A447 WeakPolarHBondContact CZ-O 2.96Å
365	S	88.2	Confident	76.3	Confident	6 Å²	6	42.2 Å²	42.2	4%	0.042	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	154.1	171.1	-176.9	0	0	0	0	113.2	V370 S415 T416 T417 D436	S365-V370 WeakPolarHBondContact OG-CG1 3.31Å; S365-S415 PolarHBondContact N-O 3.11Å; S365-T416 CarbonylContact O-C 3.56Å; S365-T416 WeakPolarHBondContact O-CA 3.36Å; S365-T417 PolarHBondContact O-N 3.46Å; S365-D436 WeakPolarHBondContact CA-OD1 3.37Å; S365-D436 WeakPolarHBondContact CB-OD1 3.11Å; S365-D436 PolarHBondContact OG-OD1 3.48Å
366	Q	84.4	Confident	75.1	Confident	35 Å²	35	44.4 Å²	44.4	16%	0.164	22%	0.221	C	C	.	.	S	Bend	trans	-78.6	-35.5	175.4	-66.2	-76.7	-15.7	0	0	112.4	T417 D436 D438	Q366-T417 HydrophobicContact CG-CG2 4.49Å; Q366-T417 PolarHBondContact NE2-OG1 2.85Å; Q366-T417 PolarHBondContact OE1-OG1 2.84Å; Q366-D436 WeakPolarHBondContact CB-OD2 3.26Å; Q366-D436 PolarHBondContact N-OD1 3.28Å; Q366-D436 PolarHBondContact N-OD2 3.28Å; Q366-D436 VanDerWaalsContact N-OD2 3.16Å; Q366-D438 PolarHBondContact NE2-OD1 2.75Å; Q366-D438 PolarHBondContact NE2-OD2 3.25Å
367	S	74	Confident	74.4	Confident	27 Å²	27	40.2 Å²	40.2	19%	0.189	19%	0.192	C	C	.	.			trans	-90.4	134.4	-171.9	167.9	0	0	0	0	112.3	Q369 V370	S367-Q369 VanDerWaalsContact C-N 3.35Å; S367-Q369 PolarHBondContact OG-N 3.27Å; S367-Q369 VanDerWaalsContact OG-N 3.13Å; S367-V370 VanDerWaalsContact CB-CG2 3.4Å; S367-V370 WeakPolarHBondContact O-CB 3.46Å; S367-V370 PolarHBondContact OG-N 3Å; S367-V370 VanDerWaalsContact OG-N 3.17Å
368	R	69.4	Low	73.7	Confident	139 Å²	139	37.2 Å²	37.2	53%	0.525	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-34.7	169.5	-70	178.5	167.4	177.2	-6.1	112	V370 G371 G390 T416	R368-V370 VanDerWaalsContact C-N 3.26Å; R368-V370 PolarHBondContact O-N 3.13Å; R368-G371 WeakPolarHBondContact O-CA 3.46Å; R368-G371 PolarHBondContact O-N 3.29Å; R368-G390 VanDerWaalsContact NH2-C 3.28Å; R368-T416 HydrophobicContact CG-CG2 4.46Å
369	Q	59.6	Low	72.9	Confident	91 Å²	91	38.1 Å²	38.1	43%	0.425	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-35.4	179.1	-65.2	-179.8	-20.9	0	0	110.7	L329 S367 G371 F372	L329-Q369 HydrophobicContact CD2-CB 4.07Å; S367-Q369 VanDerWaalsContact C-N 3.35Å; S367-Q369 PolarHBondContact OG-N 3.27Å; S367-Q369 VanDerWaalsContact OG-N 3.13Å; Q369-G371 PolarHBondContact O-N 3.05Å; Q369-F372 WeakPolarHBondContact O-CB 3.45Å; Q369-F372 PolarHBondContact O-N 3.16Å
370	V	54.6	Low	72	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.1	-33.1	172.1	155.7	0	0	0	0	111.2	N325 L329 S365 S367 R368 F372 Y373 K374	N325-V370 HydrophobicContact CB-CG2 4.27Å; L329-V370 HydrophobicContact CD1-CG2 3.86Å; S365-V370 WeakPolarHBondContact OG-CG1 3.31Å; S367-V370 VanDerWaalsContact CB-CG2 3.4Å; S367-V370 WeakPolarHBondContact O-CB 3.46Å; S367-V370 PolarHBondContact OG-N 3Å; S367-V370 VanDerWaalsContact OG-N 3.17Å; R368-V370 VanDerWaalsContact C-N 3.26Å; R368-V370 PolarHBondContact O-N 3.13Å; V370-F372 PolarHBondContact O-N 2.91Å; V370-F372 VanDerWaalsContact O-N 3.14Å; V370-Y373 VanDerWaalsContact CA-CD1 3.48Å; V370-Y373 HydrophobicContact CB-CD1 4.19Å; V370-Y373 HydrophobicContact CB-CE1 3.42Å; V370-Y373 VanDerWaalsContact CB-CE1 3.42Å; V370-Y373 HydrophobicContact CG1-CD1 4.34Å; V370-Y373 HydrophobicContact CG1-CE1 3.35Å; V370-Y373 HydrophobicContact CG1-CE2 4.32Å; V370-Y373 WeakPolarHBondContact CG1-OH 3.48Å; V370-Y373 HydrophobicContact CG2-CD1 4.46Å; V370-Y373 HydrophobicContact CG2-CE1 3.52Å; V370-Y373 WeakPolarHBondContact O-CD1 3.31Å; V370-Y373 WeakPolarHBondContact O-CE1 3.46Å; V370-Y373 PolarHBondContact O-N 2.8Å; V370-K374 HydrophobicContact CG1-CD 4Å; V370-K374 VanDerWaalsContact CG1-CE 3.45Å; V370-K374 WeakPolarHBondContact O-CG 3.38Å; V370-K374 PolarHBondContact O-N 3.02Å
371	G	54.8	Low	71	Confident	12 Å²	12	43.3 Å²	43.3	12%	0.124	20%	0.198	C	C	.	.	H	α-helix	trans	-55.8	-29.3	174.6	0	0	0	0	0	113.8	R368 Q369 V375	R368-G371 WeakPolarHBondContact O-CA 3.46Å; R368-G371 PolarHBondContact O-N 3.29Å; Q369-G371 PolarHBondContact O-N 3.05Å; G371-V375 VanDerWaalsContact O-CG2 3.29Å; G371-V375 WeakPolarHBondContact O-CG2 3.44Å; G371-V375 PolarHBondContact O-N 3.3Å
372	F	49.5	Very low	70.4	Confident	128 Å²	128	47.4 Å²	47.4	56%	0.561	23%	0.232	S	C	*	.	H	α-helix	trans	-76.8	-43.2	-178.3	-75.3	-85.5	0	0	0	113.4	Q369 V370 K374 V375 Y376	Q369-F372 WeakPolarHBondContact O-CB 3.45Å; Q369-F372 PolarHBondContact O-N 3.16Å; V370-F372 PolarHBondContact O-N 2.91Å; V370-F372 VanDerWaalsContact O-N 3.14Å; F372-K374 PolarHBondContact O-N 3.3Å; F372-V375 PolarHBondContact O-N 3.31Å; F372-Y376 PolarHBondContact O-N 3.32Å
373	Y	55.2	Low	70.1	Confident	19 Å²	19	48.5 Å²	48.5	8%	0.075	24%	0.236	C	C	.	.	H	α-helix	trans	-67	-30.2	177.8	72.6	-110.5	0	0	0	111.4	L329 M344 V370 V375 F377 F435	L329-Y373 HydrophobicContact CD1-CE1 4.36Å; M344-Y373 HydrophobicContact CE-CD2 3.68Å; M344-Y373 HydrophobicContact CE-CE2 3.6Å; M344-Y373 HydrophobicContact CG-CE2 4.22Å; M344-Y373 HydrophobicContact SD-CD2 3.82Å; M344-Y373 HydrophobicContact SD-CE2 3.17Å; M344-Y373 WeakPolarHBondContact SD-CE2 3.18Å; V370-Y373 VanDerWaalsContact CA-CD1 3.48Å; V370-Y373 HydrophobicContact CB-CD1 4.19Å; V370-Y373 HydrophobicContact CB-CE1 3.42Å; V370-Y373 VanDerWaalsContact CB-CE1 3.42Å; V370-Y373 HydrophobicContact CG1-CD1 4.34Å; V370-Y373 HydrophobicContact CG1-CE1 3.35Å; V370-Y373 HydrophobicContact CG1-CE2 4.32Å; V370-Y373 WeakPolarHBondContact CG1-OH 3.48Å; V370-Y373 HydrophobicContact CG2-CD1 4.46Å; V370-Y373 HydrophobicContact CG2-CE1 3.52Å; V370-Y373 WeakPolarHBondContact O-CD1 3.31Å; V370-Y373 WeakPolarHBondContact O-CE1 3.46Å; V370-Y373 PolarHBondContact O-N 2.8Å; Y373-V375 VanDerWaalsContact C-N 3.35Å; Y373-F377 VanDerWaalsContact O-CB 3.31Å; Y373-F377 WeakPolarHBondContact O-CB 3.32Å; Y373-F377 PolarHBondContact O-N 3.07Å; Y373-F377 VanDerWaalsContact O-N 3.1Å; Y373-F435 WeakPolarHBondContact OH-CD1 3.31Å; Y373-F435 WeakPolarHBondContact OH-CE1 3.23Å; Y373-F435 WeakPolarHBondContact OH-CZ 3.42Å
374	K	56.6	Low	70	Confident	5 Å²	5	51.4 Å²	51.4	2%	0.022	25%	0.253	C	S	.	.	H	α-helix	trans	-65.4	-44.2	177.4	-69.9	179.3	175.6	176.9	0	109.4	L363 V370 F372 F377 L378 L414	L363-K374 HydrophobicContact CD2-CD 3.68Å; L363-K374 HydrophobicContact CG-CD 4.4Å; V370-K374 HydrophobicContact CG1-CD 4Å; V370-K374 VanDerWaalsContact CG1-CE 3.45Å; V370-K374 WeakPolarHBondContact O-CG 3.38Å; V370-K374 PolarHBondContact O-N 3.02Å; F372-K374 PolarHBondContact O-N 3.3Å; K374-F377 PolarHBondContact O-N 2.64Å; K374-L378 VanDerWaalsContact O-CB 3.23Å; K374-L378 WeakPolarHBondContact O-CB 3.44Å; K374-L378 WeakPolarHBondContact O-CG 3.47Å; K374-L378 PolarHBondContact O-N 3.43Å; K374-L414 HydrophobicContact CB-CD1 4.36Å; K374-L414 HydrophobicContact CB-CD2 4.41Å; K374-L414 HydrophobicContact CD-CD2 4.05Å
375	V	59	Low	69.9	Low	22 Å²	22	54.7 Å²	54.7	13%	0.133	27%	0.266	C	S	.	.	H	α-helix	trans	-60	-50.8	179.5	168	0	0	0	0	111.4	G371 F372 Y373 F377 L378 E379 Y385 L414	G371-V375 VanDerWaalsContact O-CG2 3.29Å; G371-V375 WeakPolarHBondContact O-CG2 3.44Å; G371-V375 PolarHBondContact O-N 3.3Å; F372-V375 PolarHBondContact O-N 3.31Å; Y373-V375 VanDerWaalsContact C-N 3.35Å; V375-F377 VanDerWaalsContact C-N 3.35Å; V375-F377 PolarHBondContact O-N 2.84Å; V375-L378 PolarHBondContact O-N 3.17Å; V375-L378 VanDerWaalsContact O-N 3.15Å; V375-E379 VanDerWaalsContact CG1-CD 3.45Å; V375-E379 HydrophobicContact CG1-CG 4.21Å; V375-E379 WeakPolarHBondContact CG1-OE1 3.31Å; V375-E379 WeakPolarHBondContact O-CB 3.29Å; V375-E379 VanDerWaalsContact O-CG 3.28Å; V375-E379 WeakPolarHBondContact O-CG 3.34Å; V375-E379 PolarHBondContact O-N 2.82Å; V375-Y385 WeakPolarHBondContact CG1-OH 3.17Å; V375-Y385 HydrophobicContact CG2-CE2 3.85Å; V375-L414 HydrophobicContact CG2-CD1 4.36Å
376	Y	62.6	Low	69.9	Low	133 Å²	133	55.4 Å²	55.4	52%	0.522	27%	0.271	S	S	.	.	H	α-helix	trans	-60.6	-44.6	179.4	-167.5	-90.7	0	0	0	112.1	F372 L378 E379 E380	F372-Y376 PolarHBondContact O-N 3.32Å; Y376-L378 PolarHBondContact O-N 2.71Å; Y376-E379 PolarHBondContact O-N 3.27Å; Y376-E380 VanDerWaalsContact O-CB 3.27Å; Y376-E380 WeakPolarHBondContact O-CB 3.4Å; Y376-E380 PolarHBondContact O-N 2.89Å
377	F	70.5	Confident	69.9	Low	4 Å²	4	57.6 Å²	57.6	2%	0.018	28%	0.278	C	S	.	.	H	α-helix	trans	-61.6	-42	175.1	164.9	-101.3	0	0	0	112.8	W338 M344 E348 L351 Y373 K374 V375 Q381	W338-F377 HydrophobicContact CB-CD2 3.78Å; W338-F377 HydrophobicContact CB-CE2 4.42Å; W338-F377 HydrophobicContact CB-CG 4.39Å; W338-F377 AromaticContact CD1-CD2 3.52Å; W338-F377 HydrophobicContact CD2-CD2 4.03Å; W338-F377 AromaticContact CD2-CE2 3.89Å; W338-F377 HydrophobicContact CD2-CE2 3.89Å; W338-F377 HydrophobicContact CE3-CE2 4.41Å; W338-F377 AromaticContact CG-CD2 3.5Å; W338-F377 HydrophobicContact CG-CD2 3.5Å; W338-F377 AromaticContact CG-CE2 3.89Å; W338-F377 HydrophobicContact CG-CE2 3.89Å; M344-F377 HydrophobicContact CE-CB 4.31Å; M344-F377 HydrophobicContact CE-CD1 4.05Å; M344-F377 HydrophobicContact CE-CD2 4.5Å; M344-F377 HydrophobicContact CE-CG 4Å; E348-F377 HydrophobicContact CB-CE2 3.86Å; E348-F377 HydrophobicContact CB-CZ 3.6Å; E348-F377 HydrophobicContact CG-CE2 3.72Å; E348-F377 HydrophobicContact CG-CZ 3.66Å; L351-F377 HydrophobicContact CD1-CE1 3.81Å; L351-F377 HydrophobicContact CD1-CZ 4.5Å; Y373-F377 VanDerWaalsContact O-CB 3.31Å; Y373-F377 WeakPolarHBondContact O-CB 3.32Å; Y373-F377 PolarHBondContact O-N 3.07Å; Y373-F377 VanDerWaalsContact O-N 3.1Å; K374-F377 PolarHBondContact O-N 2.64Å; V375-F377 VanDerWaalsContact C-N 3.35Å; V375-F377 PolarHBondContact O-N 2.84Å; F377-Q381 HydrophobicContact CD2-CG 4.16Å; F377-Q381 HydrophobicContact CE2-CG 3.74Å; F377-Q381 HydrophobicContact CZ-CG 4.05Å; F377-Q381 WeakPolarHBondContact O-CB 3.49Å; F377-Q381 VanDerWaalsContact O-CG 3.3Å; F377-Q381 WeakPolarHBondContact O-CG 3.49Å; F377-Q381 PolarHBondContact O-N 3.28Å
378	L	71.8	Confident	70.4	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-70.8	-36.5	-179.9	-69	176.7	0	0	0	111.6	L351 K374 V375 Y376 Q381 A382 Y383 Y385 I412 L414	L351-L378 HydrophobicContact CD1-CD2 4.12Å; K374-L378 VanDerWaalsContact O-CB 3.23Å; K374-L378 WeakPolarHBondContact O-CB 3.44Å; K374-L378 WeakPolarHBondContact O-CG 3.47Å; K374-L378 PolarHBondContact O-N 3.43Å; V375-L378 PolarHBondContact O-N 3.17Å; V375-L378 VanDerWaalsContact O-N 3.15Å; Y376-L378 PolarHBondContact O-N 2.71Å; L378-Q381 CarbonylContact O-C 3.43Å; L378-A382 PolarHBondContact O-N 3.2Å; L378-Y383 HydrophobicContact CD2-CD2 3.66Å; L378-Y383 HydrophobicContact CD2-CG 4.28Å; L378-Y383 PolarHBondContact O-N 3.46Å; L378-Y385 HydrophobicContact CB-CD1 3.94Å; L378-Y385 HydrophobicContact CB-CE1 4.31Å; L378-Y385 HydrophobicContact CD1-CD1 4Å; L378-Y385 HydrophobicContact CD1-CG 3.94Å; L378-I412 HydrophobicContact CD1-CD1 4.26Å; L378-I412 HydrophobicContact CD2-CD1 3.33Å; L378-I412 HydrophobicContact CG-CD1 4.42Å; L378-L414 HydrophobicContact CD1-CD1 3.87Å; L378-L414 HydrophobicContact CD1-CD2 4.11Å; L378-L414 HydrophobicContact CD1-CG 4.25Å
379	E	71.7	Confident	71	Confident	110 Å²	110	50.5 Å²	50.5	51%	0.514	25%	0.249	S	C	.	.	H	α-helix	trans	-68.8	-43.7	175.1	-73.1	172.7	179.3	0	0	111.1	V375 Y376 Q381 A382 Y385	V375-E379 VanDerWaalsContact CG1-CD 3.45Å; V375-E379 HydrophobicContact CG1-CG 4.21Å; V375-E379 WeakPolarHBondContact CG1-OE1 3.31Å; V375-E379 WeakPolarHBondContact O-CB 3.29Å; V375-E379 VanDerWaalsContact O-CG 3.28Å; V375-E379 WeakPolarHBondContact O-CG 3.34Å; V375-E379 PolarHBondContact O-N 2.82Å; Y376-E379 PolarHBondContact O-N 3.27Å; E379-Q381 VanDerWaalsContact C-N 3.28Å; E379-Q381 PolarHBondContact O-N 3.47Å; E379-A382 PolarHBondContact O-N 3.49Å; E379-Y385 HydrophobicContact CG-CE1 4.03Å; E379-Y385 PolarHBondContact OE1-OH 3.33Å
380	E	71.3	Confident	71.8	Confident	106 Å²	106	47.5 Å²	47.5	50%	0.495	24%	0.242	S	C	.	.	H	α-helix	trans	-61.6	-35.9	175.6	-168.9	-174.1	172.7	0	0	112	Y376 A382	Y376-E380 VanDerWaalsContact O-CB 3.27Å; Y376-E380 WeakPolarHBondContact O-CB 3.4Å; Y376-E380 PolarHBondContact O-N 2.89Å; E380-A382 VanDerWaalsContact C-N 3.34Å
381	Q	73.2	Confident	73	Confident	68 Å²	68	51.2 Å²	51.2	32%	0.318	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	3.9	175.4	-61.7	-57.7	-51.7	0	0	113.8	F377 L378 E379 Y383	F377-Q381 HydrophobicContact CD2-CG 4.16Å; F377-Q381 HydrophobicContact CE2-CG 3.74Å; F377-Q381 HydrophobicContact CZ-CG 4.05Å; F377-Q381 WeakPolarHBondContact O-CB 3.49Å; F377-Q381 VanDerWaalsContact O-CG 3.3Å; F377-Q381 WeakPolarHBondContact O-CG 3.49Å; F377-Q381 PolarHBondContact O-N 3.28Å; L378-Q381 CarbonylContact O-C 3.43Å; E379-Q381 VanDerWaalsContact C-N 3.28Å; E379-Q381 PolarHBondContact O-N 3.47Å; Q381-Y383 VanDerWaalsContact C-N 3.28Å; Q381-Y383 HydrophobicContact CB-CD2 3.57Å; Q381-Y383 HydrophobicContact CB-CE2 3.42Å; Q381-Y383 VanDerWaalsContact CB-CE2 3.42Å; Q381-Y383 HydrophobicContact CB-CG 4.37Å; Q381-Y383 HydrophobicContact CG-CE2 4.09Å; Q381-Y383 PolarHBondContact O-N 3.13Å
382	A	79.2	Confident	74.1	Confident	86 Å²	86	51.7 Å²	51.7	71%	0.711	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	35.6	-178.5	0	0	0	0	0	114.9	L378 E379 E380	L378-A382 PolarHBondContact O-N 3.2Å; E379-A382 PolarHBondContact O-N 3.49Å; E380-A382 VanDerWaalsContact C-N 3.34Å
383	Y	85.5	Confident	75.4	Confident	24 Å²	24	48.1 Å²	48.1	9%	0.094	27%	0.268	C	S	.	.			trans	-84.2	130.3	173.3	-65.6	-48.3	0	0	0	111.4	L351 K355 L378 Q381 Y385 F411 I412	L351-Y383 HydrophobicContact CB-CE2 4.3Å; K355-Y383 HydrophobicContact CB-CE1 4.03Å; K355-Y383 HydrophobicContact CD-CD1 4.31Å; K355-Y383 HydrophobicContact CD-CE1 4.36Å; K355-Y383 HydrophobicContact CG-CD1 4.38Å; K355-Y383 HydrophobicContact CG-CE1 3.93Å; L378-Y383 HydrophobicContact CD2-CD2 3.66Å; L378-Y383 HydrophobicContact CD2-CG 4.28Å; L378-Y383 PolarHBondContact O-N 3.46Å; Q381-Y383 VanDerWaalsContact C-N 3.28Å; Q381-Y383 HydrophobicContact CB-CD2 3.57Å; Q381-Y383 HydrophobicContact CB-CE2 3.42Å; Q381-Y383 VanDerWaalsContact CB-CE2 3.42Å; Q381-Y383 HydrophobicContact CB-CG 4.37Å; Q381-Y383 HydrophobicContact CG-CE2 4.09Å; Q381-Y383 PolarHBondContact O-N 3.13Å; Y383-Y385 WeakPolarHBondContact O-CD1 3.34Å; Y383-F411 AromaticContact CD1-CD1 3.81Å; Y383-F411 HydrophobicContact CD1-CD1 3.81Å; Y383-F411 AromaticContact CD1-CE1 3.97Å; Y383-F411 HydrophobicContact CD1-CE1 3.97Å; Y383-F411 HydrophobicContact CE1-CD1 4.45Å; Y383-F411 HydrophobicContact CE1-CE1 4.18Å; Y383-F411 HydrophobicContact CG-CD1 4.1Å; Y383-F411 HydrophobicContact CG-CE1 4.33Å; Y383-I412 HydrophobicContact CD2-CD1 4.47Å; Y383-I412 HydrophobicContact CG-CD1 4.38Å
384	T	88.4	Confident	76.2	Confident	62 Å²	62	50 Å²	50	38%	0.38	28%	0.281	S	S	.	.			trans	-72.4	128.7	170.5	47.6	0	0	0	0	110.8	S409 F411 I412	T384-S409 WeakPolarHBondContact CB-O 3.37Å; T384-S409 PolarHBondContact OG1-O 3.32Å; T384-F411 PolarHBondContact O-N 3.21Å; T384-F411 VanDerWaalsContact O-N 3.09Å; T384-F411 PolarHBondContact OG1-N 2.96Å; T384-I412 PolarHBondContact O-N 3.17Å; T384-I412 VanDerWaalsContact O-N 3.15Å
385	Y	88.6	Confident	76.9	Confident	70 Å²	70	52.5 Å²	52.5	28%	0.275	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	157.3	-178.3	69.2	-89.8	0	0	0	112.6	V375 L378 E379 Y383 I412 L414	V375-Y385 WeakPolarHBondContact CG1-OH 3.17Å; V375-Y385 HydrophobicContact CG2-CE2 3.85Å; L378-Y385 HydrophobicContact CB-CD1 3.94Å; L378-Y385 HydrophobicContact CB-CE1 4.31Å; L378-Y385 HydrophobicContact CD1-CD1 4Å; L378-Y385 HydrophobicContact CD1-CG 3.94Å; E379-Y385 HydrophobicContact CG-CE1 4.03Å; E379-Y385 PolarHBondContact OE1-OH 3.33Å; Y383-Y385 WeakPolarHBondContact O-CD1 3.34Å; Y385-I412 CarbonylContact C-O 3.56Å; Y385-I412 WeakPolarHBondContact CA-O 3.31Å; Y385-L414 HydrophobicContact CD2-CD1 3.86Å; Y385-L414 HydrophobicContact CE2-CD1 4.39Å; Y385-L414 HydrophobicContact CG-CD1 4.41Å
386	S	87.4	Confident	77.9	Confident	21 Å²	21	56.9 Å²	56.9	15%	0.147	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.5	168.6	-176	0	0	0	0	109.2	I400 I412 L414	S386-I400 WeakPolarHBondContact OG-CG2 3.44Å; S386-I412 PolarHBondContact N-O 3.33Å; S386-L414 PolarHBondContact O-N 3.33Å
387	R	85.4	Confident	78.8	Confident	81 Å²	81	51.7 Å²	51.7	31%	0.306	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.8	-175.1	177.7	178.7	167.8	171.9	-3.3	111	D389 L414	R387-D389 IonicContact CZ-OD2 3.55Å; R387-D389 VanDerWaalsContact CZ-OD2 3.23Å; R387-D389 IonicContact NE-OD2 3.56Å; R387-D389 PolarHBondContact NE-OD2 3.42Å; R387-D389 IonicContact NH2-OD2 3.9Å; R387-D389 PolarHBondContact NH2-OD2 2.98Å; R387-L414 HydrophobicContact CB-CB 4.47Å
388	L	83.9	Confident	79.3	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	111.3	175.6	-177.1	69.4	0	0	0	110	T392 R397 I400 V401 M413 L414 S415 T416 V419 L424	L388-T392 HydrophobicContact CD1-CG2 4.05Å; L388-R397 HydrophobicContact CD1-CB 3.94Å; L388-R397 HydrophobicContact CD1-CG 3.79Å; L388-I400 HydrophobicContact CD1-CD1 4.45Å; L388-V401 HydrophobicContact CD2-CG2 4.13Å; L388-M413 HydrophobicContact CB-SD 4.23Å; L388-L414 PolarHBondContact N-O 3.36Å; L388-S415 VanDerWaalsContact O-CA 3.29Å; L388-S415 WeakPolarHBondContact O-CA 3.42Å; L388-T416 PolarHBondContact O-N 2.83Å; L388-V419 HydrophobicContact CD1-CG1 4.46Å; L388-V419 HydrophobicContact CD2-CG1 3.93Å; L388-V419 HydrophobicContact CG-CG1 3.78Å; L388-L424 HydrophobicContact CD2-CD1 3.7Å
389	D	82.6	Confident	79.9	Confident	15 Å²	15	59.2 Å²	59.2	8%	0.08	34%	0.344	C	S	.	.			trans	-131.7	-179	178	70.8	34	0	0	0	112.5	R387 A391 T392 T416	R387-D389 IonicContact CZ-OD2 3.55Å; R387-D389 VanDerWaalsContact CZ-OD2 3.23Å; R387-D389 IonicContact NE-OD2 3.56Å; R387-D389 PolarHBondContact NE-OD2 3.42Å; R387-D389 IonicContact NH2-OD2 3.9Å; R387-D389 PolarHBondContact NH2-OD2 2.98Å; D389-A391 PolarHBondContact O-N 3.3Å; D389-A391 WeakPolarHBondContact OD1-CA 3.43Å; D389-A391 VanDerWaalsContact OD1-CB 3.32Å; D389-A391 WeakPolarHBondContact OD1-CB 3.48Å; D389-A391 PolarHBondContact OD1-N 3.08Å; D389-T392 PolarHBondContact N-OG1 2.83Å; D389-T392 WeakPolarHBondContact O-CB 3.33Å; D389-T392 PolarHBondContact O-N 2.8Å; D389-T392 PolarHBondContact O-OG1 2.78Å; D389-T392 PolarHBondContact OD1-N 2.98Å; D389-T416 HydrophobicContact CB-CG2 4.08Å
390	G	76.5	Confident	80.6	Confident	28 Å²	28	55.8 Å²	55.8	29%	0.289	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-12.6	-174.9	0	0	0	0	0	114	R368	R368-G390 VanDerWaalsContact NH2-C 3.28Å
391	A	78.8	Confident	81.2	Confident	78 Å²	78	50.7 Å²	50.7	65%	0.645	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-21.1	175.3	0	0	0	0	0	111.8	D389 A393	D389-A391 PolarHBondContact O-N 3.3Å; D389-A391 WeakPolarHBondContact OD1-CA 3.43Å; D389-A391 VanDerWaalsContact OD1-CB 3.32Å; D389-A391 WeakPolarHBondContact OD1-CB 3.48Å; D389-A391 PolarHBondContact OD1-N 3.08Å; A391-A393 PolarHBondContact O-N 3.42Å
392	T	79.4	Confident	81.9	Confident	21 Å²	21	54.1 Å²	54.1	13%	0.129	32%	0.315	C	S	.	.	S	Bend	trans	-57.3	123.9	172.7	-48.2	0	0	0	0	110.7	L388 D389 Q396 R397 I400	L388-T392 HydrophobicContact CD1-CG2 4.05Å; D389-T392 PolarHBondContact N-OG1 2.83Å; D389-T392 WeakPolarHBondContact O-CB 3.33Å; D389-T392 PolarHBondContact O-N 2.8Å; D389-T392 PolarHBondContact O-OG1 2.78Å; D389-T392 PolarHBondContact OD1-N 2.98Å; T392-Q396 HydrophobicContact CG2-CB 4.24Å; T392-R397 HydrophobicContact CG2-CG 3.96Å; T392-R397 PolarHBondContact O-NE 2.84Å; T392-R397 PolarHBondContact O-NH2 2.97Å; T392-I400 HydrophobicContact CG2-CD1 3.51Å
393	A	76.2	Confident	82.4	Confident	54 Å²	54	53.5 Å²	53.5	45%	0.446	30%	0.303	S	S	.	.			trans	-60.5	142.3	-179.9	0	0	0	0	0	111.3	A391 G395 Q396 R397	A391-A393 PolarHBondContact O-N 3.42Å; A393-G395 VanDerWaalsContact C-N 3.27Å; A393-G395 PolarHBondContact O-N 3.39Å; A393-Q396 HydrophobicContact CB-CG 4.48Å; A393-Q396 PolarHBondContact O-N 3.07Å; A393-R397 WeakPolarHBondContact O-CG 3.4Å; A393-R397 PolarHBondContact O-N 2.93Å
394	V	71.1	Confident	82.6	Confident	59 Å²	59	52.4 Å²	52.4	36%	0.358	30%	0.298	S	S	.	.	H	α-helix	trans	-55.9	-39.6	-172.7	178.4	0	0	0	0	112.6	T94 Q396 R397	T94-V394 HydrophobicContact CG2-CG1 4.31Å; V394-Q396 PolarHBondContact O-N 3.16Å; V394-R397 PolarHBondContact O-N 3.36Å
395	G	72.3	Confident	82.6	Confident	57 Å²	57	51.6 Å²	51.6	59%	0.588	29%	0.292	S	S	*	.	H	α-helix	trans	-63.7	-36.3	178	0	0	0	0	0	113.8	A393	A393-G395 VanDerWaalsContact C-N 3.27Å; A393-G395 PolarHBondContact O-N 3.39Å
396	Q	80.1	Confident	82.7	Confident	114 Å²	114	52.1 Å²	52.1	53%	0.533	31%	0.311	S	S	.	.	H	α-helix	trans	-79	-20.2	-177.1	-67.3	174.7	-11.1	0	0	113.4	T392 A393 V394 Q398 D399 I400	T392-Q396 HydrophobicContact CG2-CB 4.24Å; A393-Q396 HydrophobicContact CB-CG 4.48Å; A393-Q396 PolarHBondContact O-N 3.07Å; V394-Q396 PolarHBondContact O-N 3.16Å; Q396-Q398 VanDerWaalsContact C-N 3.32Å; Q396-Q398 PolarHBondContact O-N 3.06Å; Q396-D399 PolarHBondContact O-N 3.02Å; Q396-I400 HydrophobicContact CB-CD1 4.48Å; Q396-I400 WeakPolarHBondContact O-CG1 3.49Å; Q396-I400 PolarHBondContact O-N 3.46Å
397	R	81.5	Confident	82.8	Confident	23 Å²	23	54.1 Å²	54.1	9%	0.087	32%	0.32	C	S	.	.	H	α-helix	trans	-62.1	-41	-175.4	-59	-172.2	-177.1	177.9	-2.5	112.3	L388 T392 A393 V394 D399 I400 V401 L424	L388-R397 HydrophobicContact CD1-CB 3.94Å; L388-R397 HydrophobicContact CD1-CG 3.79Å; T392-R397 HydrophobicContact CG2-CG 3.96Å; T392-R397 PolarHBondContact O-NE 2.84Å; T392-R397 PolarHBondContact O-NH2 2.97Å; A393-R397 WeakPolarHBondContact O-CG 3.4Å; A393-R397 PolarHBondContact O-N 2.93Å; V394-R397 PolarHBondContact O-N 3.36Å; R397-D399 VanDerWaalsContact C-N 3.32Å; R397-I400 PolarHBondContact O-N 2.91Å; R397-V401 VanDerWaalsContact O-CG2 3.31Å; R397-V401 WeakPolarHBondContact O-CG2 3.48Å; R397-V401 PolarHBondContact O-N 3.16Å; R397-V401 VanDerWaalsContact O-N 3.13Å; R397-L424 HydrophobicContact CB-CD1 3.93Å; R397-L424 HydrophobicContact CB-CD2 4.39Å
398	Q	79.6	Confident	82.9	Confident	88 Å²	88	59.7 Å²	59.7	41%	0.411	34%	0.34	S	S	.	.	H	α-helix	trans	-66.1	-39	-179.4	-170.9	61.6	48	0	0	111.1	Q396 V401 R402	Q396-Q398 VanDerWaalsContact C-N 3.32Å; Q396-Q398 PolarHBondContact O-N 3.06Å; Q398-V401 PolarHBondContact O-N 3.17Å; Q398-R402 WeakPolarHBondContact O-CB 3.43Å; Q398-R402 PolarHBondContact O-N 3.43Å
399	D	84.7	Confident	83.1	Confident	77 Å²	77	62.9 Å²	62.9	41%	0.412	36%	0.363	S	S	.	.	H	α-helix	trans	-68.9	-43.6	179.1	-62	-34.2	0	0	0	111.1	Q396 R397 V401 R402 T403	Q396-D399 PolarHBondContact O-N 3.02Å; R397-D399 VanDerWaalsContact C-N 3.32Å; D399-V401 VanDerWaalsContact C-N 3.29Å; D399-V401 PolarHBondContact O-N 3.11Å; D399-R402 PolarHBondContact O-N 3.36Å; D399-R402 IonicContact OD1-CZ 2.73Å; D399-R402 IonicContact OD1-NH1 3Å; D399-R402 PolarHBondContact OD1-NH1 3.3Å; D399-R402 IonicContact OD1-NH2 3.92Å; D399-T403 WeakPolarHBondContact O-CB 3.47Å; D399-T403 PolarHBondContact O-N 3.45Å; D399-T403 PolarHBondContact O-OG1 3.33Å
400	I	86.5	Confident	83.4	Confident	37 Å²	37	63 Å²	63	19%	0.19	36%	0.364	C	S	.	.	H	α-helix	trans	-57.2	-43.6	175.3	-71	163.5	0	0	0	111.6	S386 L388 T392 Q396 R397 F404 M413	S386-I400 WeakPolarHBondContact OG-CG2 3.44Å; L388-I400 HydrophobicContact CD1-CD1 4.45Å; T392-I400 HydrophobicContact CG2-CD1 3.51Å; Q396-I400 HydrophobicContact CB-CD1 4.48Å; Q396-I400 WeakPolarHBondContact O-CG1 3.49Å; Q396-I400 PolarHBondContact O-N 3.46Å; R397-I400 PolarHBondContact O-N 2.91Å; I400-F404 PolarHBondContact O-N 2.82Å; I400-M413 HydrophobicContact CG2-CE 4Å; I400-M413 HydrophobicContact CG2-SD 4.48Å
401	V	85.3	Confident	84.1	Confident	0 Å²	0	62 Å²	62	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-71.6	-39.3	179.7	171.7	0	0	0	0	111.3	L388 R397 Q398 D399 T403 F404 N405 M413 L424 D425	L388-V401 HydrophobicContact CD2-CG2 4.13Å; R397-V401 VanDerWaalsContact O-CG2 3.31Å; R397-V401 WeakPolarHBondContact O-CG2 3.48Å; R397-V401 PolarHBondContact O-N 3.16Å; R397-V401 VanDerWaalsContact O-N 3.13Å; Q398-V401 PolarHBondContact O-N 3.17Å; D399-V401 VanDerWaalsContact C-N 3.29Å; D399-V401 PolarHBondContact O-N 3.11Å; V401-T403 VanDerWaalsContact C-N 3.35Å; V401-F404 PolarHBondContact O-N 3.13Å; V401-N405 PolarHBondContact O-N 3.14Å; V401-N405 PolarHBondContact O-ND2 3.45Å; V401-M413 HydrophobicContact CG2-CE 4.3Å; V401-L424 HydrophobicContact CG1-CB 4.45Å; V401-L424 HydrophobicContact CG2-CB 4.04Å; V401-L424 HydrophobicContact CG2-CD1 4.1Å; V401-L424 HydrophobicContact CG2-CD2 4.48Å; V401-L424 HydrophobicContact CG2-CG 4.43Å; V401-D425 WeakPolarHBondContact CG1-O 3.14Å
402	R	86.6	Confident	84.7	Confident	140 Å²	140	58.3 Å²	58.3	53%	0.528	32%	0.321	S	S	.	.	H	α-helix	trans	-60.8	-45.7	173.8	-168.4	-173.1	-63.2	125.9	2.3	110.7	Q398 D399 N405 A406	Q398-R402 WeakPolarHBondContact O-CB 3.43Å; Q398-R402 PolarHBondContact O-N 3.43Å; D399-R402 PolarHBondContact O-N 3.36Å; D399-R402 IonicContact OD1-CZ 2.73Å; D399-R402 IonicContact OD1-NH1 3Å; D399-R402 PolarHBondContact OD1-NH1 3.3Å; D399-R402 IonicContact OD1-NH2 3.92Å; R402-N405 PolarHBondContact O-N 3.1Å; R402-A406 VanDerWaalsContact O-CB 3.31Å; R402-A406 WeakPolarHBondContact O-CB 3.38Å; R402-A406 PolarHBondContact O-N 3.05Å
403	T	90.2	Very high	85.2	Confident	73 Å²	73	57.3 Å²	57.3	45%	0.448	32%	0.315	S	S	.	.	H	α-helix	trans	-60.3	-46	176	-58.5	0	0	0	0	111.1	D399 V401 N405 A406 D407 I410	D399-T403 WeakPolarHBondContact O-CB 3.47Å; D399-T403 PolarHBondContact O-N 3.45Å; D399-T403 PolarHBondContact O-OG1 3.33Å; V401-T403 VanDerWaalsContact C-N 3.35Å; T403-N405 PolarHBondContact O-N 3.43Å; T403-A406 PolarHBondContact O-N 3.06Å; T403-D407 HydrophobicContact CG2-CB 4.46Å; T403-D407 WeakPolarHBondContact O-CA 3.44Å; T403-D407 WeakPolarHBondContact O-CB 3.39Å; T403-D407 PolarHBondContact O-N 3.24Å; T403-I410 HydrophobicContact CG2-CD1 4.02Å
404	F	89.9	Confident	85.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.6	-38.8	176.9	175	-106	0	0	0	113.7	R360 I400 V401 I410 M413 A429	R360-F404 HydrophobicContact CB-CZ 4.5Å; R360-F404 PolarHBondContact NH1-O 3.13Å; R360-F404 VanDerWaalsContact NH1-O 3.08Å; I400-F404 PolarHBondContact O-N 2.82Å; V401-F404 PolarHBondContact O-N 3.13Å; F404-I410 HydrophobicContact CD2-CB 4.15Å; F404-I410 HydrophobicContact CD2-CG2 3.74Å; F404-I410 HydrophobicContact CE2-CG2 4.17Å; F404-M413 HydrophobicContact CB-CE 3.41Å; F404-M413 VanDerWaalsContact CB-CE 3.41Å; F404-M413 HydrophobicContact CD1-CB 4.28Å; F404-M413 HydrophobicContact CD1-CE 3.96Å; F404-M413 HydrophobicContact CD2-CB 3.97Å; F404-M413 HydrophobicContact CD2-CE 4.26Å; F404-M413 HydrophobicContact CE1-CB 4.02Å; F404-M413 HydrophobicContact CE2-CB 3.71Å; F404-M413 HydrophobicContact CG-CB 4.25Å; F404-M413 HydrophobicContact CG-CE 3.61Å; F404-M413 HydrophobicContact CZ-CB 3.73Å; F404-A429 HydrophobicContact CE1-CB 4.08Å; F404-A429 HydrophobicContact CZ-CB 4.08Å
405	N	88.4	Confident	86.5	Confident	46 Å²	46	52.8 Å²	52.8	25%	0.246	28%	0.281	C	S	.	.	H	α-helix	trans	-71.2	-40.2	179	-71.1	-27.3	0	0	0	111.7	R360 V401 R402 T403 D425 G428	R360-N405 PolarHBondContact NH1-O 3.16Å; V401-N405 PolarHBondContact O-N 3.14Å; V401-N405 PolarHBondContact O-ND2 3.45Å; R402-N405 PolarHBondContact O-N 3.1Å; T403-N405 PolarHBondContact O-N 3.43Å; N405-D425 PolarHBondContact ND2-O 3.01Å; N405-G428 WeakPolarHBondContact OD1-CA 3.43Å; N405-G428 PolarHBondContact OD1-N 2.89Å
406	A	89.4	Confident	87.1	Confident	81 Å²	81	50.9 Å²	50.9	67%	0.669	26%	0.259	S	S	*	.	H	α-helix	trans	-76.9	-46.2	-178.9	0	0	0	0	0	113	R402 T403 R408	R402-A406 VanDerWaalsContact O-CB 3.31Å; R402-A406 WeakPolarHBondContact O-CB 3.38Å; R402-A406 PolarHBondContact O-N 3.05Å; T403-A406 PolarHBondContact O-N 3.06Å; A406-R408 PolarHBondContact O-N 3.5Å
407	D	91.2	Very high	87.1	Confident	63 Å²	63	45.5 Å²	45.5	34%	0.337	23%	0.233	S	C	.	.			trans	-85.2	105.1	-177	-172.1	-0.2	0	0	0	111.1	T403 S409 I410	T403-D407 HydrophobicContact CG2-CB 4.46Å; T403-D407 WeakPolarHBondContact O-CA 3.44Å; T403-D407 WeakPolarHBondContact O-CB 3.39Å; T403-D407 PolarHBondContact O-N 3.24Å; D407-S409 PolarHBondContact O-N 2.84Å; D407-S409 WeakPolarHBondContact OD1-CA 3.25Å; D407-S409 WeakPolarHBondContact OD1-CB 3.39Å; D407-S409 PolarHBondContact OD1-N 3.28Å; D407-S409 PolarHBondContact OD1-OG 3.31Å; D407-S409 PolarHBondContact OD2-OG 3.01Å; D407-I410 HydrophobicContact CB-CD1 4.1Å; D407-I410 HydrophobicContact CB-CG1 4.26Å
408	R	86.7	Confident	86.9	Confident	197 Å²	197	52.7 Å²	52.7	74%	0.743	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-10.6	175.9	-67.7	-170.9	176.9	-164	0.9	113.4	A406 I410	A406-R408 PolarHBondContact O-N 3.5Å; R408-I410 PolarHBondContact O-N 2.88Å
409	S	87.2	Confident	86.4	Confident	69 Å²	69	48.9 Å²	48.9	48%	0.483	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-26.8	175.8	82.6	0	0	0	0	111.8	T384 D407 F411	T384-S409 WeakPolarHBondContact CB-O 3.37Å; T384-S409 PolarHBondContact OG1-O 3.32Å; D407-S409 PolarHBondContact O-N 2.84Å; D407-S409 WeakPolarHBondContact OD1-CA 3.25Å; D407-S409 WeakPolarHBondContact OD1-CB 3.39Å; D407-S409 PolarHBondContact OD1-N 3.28Å; D407-S409 PolarHBondContact OD1-OG 3.31Å; D407-S409 PolarHBondContact OD2-OG 3.01Å; S409-F411 PolarHBondContact O-N 2.91Å
410	I	90	Very high	85.1	Confident	19 Å²	19	45.3 Å²	45.3	10%	0.097	22%	0.224	C	C	.	.			trans	-77.8	113.5	179	-54.1	174.5	0	0	0	109.4	T403 F404 D407 R408	T403-I410 HydrophobicContact CG2-CD1 4.02Å; F404-I410 HydrophobicContact CD2-CB 4.15Å; F404-I410 HydrophobicContact CD2-CG2 3.74Å; F404-I410 HydrophobicContact CE2-CG2 4.17Å; D407-I410 HydrophobicContact CB-CD1 4.1Å; D407-I410 HydrophobicContact CB-CG1 4.26Å; R408-I410 PolarHBondContact O-N 2.88Å
411	F	91.7	Very high	83.7	Confident	6 Å²	6	44 Å²	44	3%	0.026	22%	0.22	C	C	.	.			trans	-82.6	-40.8	-176.5	174.8	-127.9	0	0	0	112.6	L351 W354 K355 H359 V361 Y383 T384 S409	L351-F411 HydrophobicContact CB-CE1 4.4Å; L351-F411 HydrophobicContact CD2-CE1 4.13Å; L351-F411 HydrophobicContact CD2-CZ 4.33Å; L351-F411 WeakPolarHBondContact O-CZ 2.76Å; W354-F411 HydrophobicContact CB-CE2 4.44Å; W354-F411 HydrophobicContact CB-CZ 4.27Å; K355-F411 HydrophobicContact CB-CE1 3.98Å; K355-F411 HydrophobicContact CB-CE2 4.05Å; K355-F411 HydrophobicContact CB-CZ 3.68Å; K355-F411 HydrophobicContact CD-CB 4.36Å; K355-F411 HydrophobicContact CD-CD1 3.84Å; K355-F411 HydrophobicContact CD-CD2 3.79Å; K355-F411 HydrophobicContact CD-CE1 4.07Å; K355-F411 HydrophobicContact CD-CE2 3.99Å; K355-F411 HydrophobicContact CD-CG 3.73Å; K355-F411 HydrophobicContact CD-CZ 4.15Å; H359-F411 WeakPolarHBondContact O-CD2 3.44Å; H359-F411 WeakPolarHBondContact O-CE2 3.47Å; V361-F411 HydrophobicContact CG2-CE2 3.97Å; V361-F411 HydrophobicContact CG2-CZ 3.92Å; V361-F411 PolarHBondContact N-O 2.88Å; Y383-F411 AromaticContact CD1-CD1 3.81Å; Y383-F411 HydrophobicContact CD1-CD1 3.81Å; Y383-F411 AromaticContact CD1-CE1 3.97Å; Y383-F411 HydrophobicContact CD1-CE1 3.97Å; Y383-F411 HydrophobicContact CE1-CD1 4.45Å; Y383-F411 HydrophobicContact CE1-CE1 4.18Å; Y383-F411 HydrophobicContact CG-CD1 4.1Å; Y383-F411 HydrophobicContact CG-CE1 4.33Å; T384-F411 PolarHBondContact O-N 3.21Å; T384-F411 VanDerWaalsContact O-N 3.09Å; T384-F411 PolarHBondContact OG1-N 2.96Å; S409-F411 PolarHBondContact O-N 2.91Å
412	I	90.9	Very high	82.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	130.8	-171.7	-61.9	160.9	0	0	0	111.3	L351 V361 L363 L378 Y383 T384 Y385 S386 L414	L351-I412 HydrophobicContact CD1-CD1 4.12Å; L351-I412 HydrophobicContact CD2-CD1 3.87Å; L351-I412 HydrophobicContact CD2-CG1 4.2Å; V361-I412 HydrophobicContact CB-CG1 4.2Å; V361-I412 CarbonylContact O-C 3.59Å; V361-I412 WeakPolarHBondContact O-CA 3.45Å; L363-I412 HydrophobicContact CB-CG2 4.29Å; L378-I412 HydrophobicContact CD1-CD1 4.26Å; L378-I412 HydrophobicContact CD2-CD1 3.33Å; L378-I412 HydrophobicContact CG-CD1 4.42Å; Y383-I412 HydrophobicContact CD2-CD1 4.47Å; Y383-I412 HydrophobicContact CG-CD1 4.38Å; T384-I412 PolarHBondContact O-N 3.17Å; T384-I412 VanDerWaalsContact O-N 3.15Å; Y385-I412 CarbonylContact C-O 3.56Å; Y385-I412 WeakPolarHBondContact CA-O 3.31Å; S386-I412 PolarHBondContact N-O 3.33Å; I412-L414 HydrophobicContact CG2-CD2 3.8Å; I412-L414 HydrophobicContact CG2-CG 4.15Å
413	M	89.3	Confident	81.7	Confident	1 Å²	1	40 Å²	40	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	114.3	162.7	179.5	65.1	93.8	0	0	109.3	V361 L363 L388 I400 V401 F404 M426	V361-M413 PolarHBondContact O-N 3.06Å; L363-M413 PolarHBondContact N-O 3.18Å; L388-M413 HydrophobicContact CB-SD 4.23Å; I400-M413 HydrophobicContact CG2-CE 4Å; I400-M413 HydrophobicContact CG2-SD 4.48Å; V401-M413 HydrophobicContact CG2-CE 4.3Å; F404-M413 HydrophobicContact CB-CE 3.41Å; F404-M413 VanDerWaalsContact CB-CE 3.41Å; F404-M413 HydrophobicContact CD1-CB 4.28Å; F404-M413 HydrophobicContact CD1-CE 3.96Å; F404-M413 HydrophobicContact CD2-CB 3.97Å; F404-M413 HydrophobicContact CD2-CE 4.26Å; F404-M413 HydrophobicContact CE1-CB 4.02Å; F404-M413 HydrophobicContact CE2-CB 3.71Å; F404-M413 HydrophobicContact CG-CB 4.25Å; F404-M413 HydrophobicContact CG-CE 3.61Å; F404-M413 HydrophobicContact CZ-CB 3.73Å; M413-M426 HydrophobicContact CG-SD 4.14Å
414	L	88	Confident	81.1	Confident	9 Å²	9	36.8 Å²	36.8	5%	0.047	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	117.8	172.1	-63.3	179.1	0	0	0	109.2	L363 K374 V375 L378 Y385 S386 R387 L388 I412	L363-L414 HydrophobicContact CB-CD2 4.07Å; L363-L414 HydrophobicContact CD2-CD2 3.67Å; L363-L414 HydrophobicContact CG-CD2 4.16Å; K374-L414 HydrophobicContact CB-CD1 4.36Å; K374-L414 HydrophobicContact CB-CD2 4.41Å; K374-L414 HydrophobicContact CD-CD2 4.05Å; V375-L414 HydrophobicContact CG2-CD1 4.36Å; L378-L414 HydrophobicContact CD1-CD1 3.87Å; L378-L414 HydrophobicContact CD1-CD2 4.11Å; L378-L414 HydrophobicContact CD1-CG 4.25Å; Y385-L414 HydrophobicContact CD2-CD1 3.86Å; Y385-L414 HydrophobicContact CE2-CD1 4.39Å; Y385-L414 HydrophobicContact CG-CD1 4.41Å; S386-L414 PolarHBondContact O-N 3.33Å; R387-L414 HydrophobicContact CB-CB 4.47Å; L388-L414 PolarHBondContact N-O 3.36Å; I412-L414 HydrophobicContact CG2-CD2 3.8Å; I412-L414 HydrophobicContact CG2-CG 4.15Å
415	S	86.9	Confident	80.6	Confident	8 Å²	8	39.5 Å²	39.5	6%	0.056	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	148.8	177	-172.7	0	0	0	0	112.4	L363 F364 S365 L388 G420	L363-S415 PolarHBondContact O-N 3.02Å; F364-S415 CarbonylContact C-O 3.59Å; F364-S415 VanDerWaalsContact CA-O 3.23Å; F364-S415 WeakPolarHBondContact CA-O 3.07Å; S365-S415 PolarHBondContact N-O 3.11Å; L388-S415 VanDerWaalsContact O-CA 3.29Å; L388-S415 WeakPolarHBondContact O-CA 3.42Å; S415-G420 PolarHBondContact OG-N 3.44Å
416	T	86	Confident	80.4	Confident	18 Å²	18	37.3 Å²	37.3	11%	0.11	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	138.9	166.5	59.5	0	0	0	0	109.6	S365 R368 L388 D389 R418 V419 G420	S365-T416 CarbonylContact O-C 3.56Å; S365-T416 WeakPolarHBondContact O-CA 3.36Å; R368-T416 HydrophobicContact CG-CG2 4.46Å; L388-T416 PolarHBondContact O-N 2.83Å; D389-T416 HydrophobicContact CB-CG2 4.08Å; T416-R418 PolarHBondContact O-N 3.3Å; T416-R418 VanDerWaalsContact O-N 3.13Å; T416-V419 PolarHBondContact O-N 2.97Å; T416-V419 WeakPolarHBondContact OG1-CB 3.48Å; T416-V419 WeakPolarHBondContact OG1-CG2 3.44Å; T416-G420 PolarHBondContact O-N 3.36Å
417	T	79.8	Confident	80.3	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-50.2	-41.6	-179.2	48.5	0	0	0	0	112.7	F364 S365 Q366 V419 G420 G421	F364-T417 HydrophobicContact CB-CG2 3.8Å; S365-T417 PolarHBondContact O-N 3.46Å; Q366-T417 HydrophobicContact CG-CG2 4.49Å; Q366-T417 PolarHBondContact NE2-OG1 2.85Å; Q366-T417 PolarHBondContact OE1-OG1 2.84Å; T417-V419 PolarHBondContact O-N 3.48Å; T417-G420 PolarHBondContact O-N 3.45Å; T417-G421 PolarHBondContact O-N 2.93Å
418	R	77.3	Confident	80.1	Confident	174 Å²	174	32.3 Å²	32.3	66%	0.657	16%	0.158	S	C	*	.	H	α-helix	trans	-66.9	-34.6	178	-65.7	-173.1	-175.9	-171.3	1.3	113.8	T416 G421 T443	T416-R418 PolarHBondContact O-N 3.3Å; T416-R418 VanDerWaalsContact O-N 3.13Å; R418-G421 PolarHBondContact O-N 2.84Å; R418-T443 HydrophobicContact CG-CG2 4.45Å
419	V	69	Low	80.3	Confident	8 Å²	8	23 Å²	23	5%	0.048	12%	0.123	C	C	.	.	H	α-helix	trans	-80.4	-35.4	176.3	176.2	0	0	0	0	110.9	L388 T416 T417 G421 L422	L388-V419 HydrophobicContact CD1-CG1 4.46Å; L388-V419 HydrophobicContact CD2-CG1 3.93Å; L388-V419 HydrophobicContact CG-CG1 3.78Å; T416-V419 PolarHBondContact O-N 2.97Å; T416-V419 WeakPolarHBondContact OG1-CB 3.48Å; T416-V419 WeakPolarHBondContact OG1-CG2 3.44Å; T417-V419 PolarHBondContact O-N 3.48Å; V419-G421 PolarHBondContact O-N 3.19Å; V419-L422 HydrophobicContact CB-CD1 4.4Å; V419-L422 HydrophobicContact CG1-CD1 4.32Å; V419-L422 HydrophobicContact CG2-CD1 4.32Å; V419-L422 VanDerWaalsContact O-CB 3.26Å; V419-L422 WeakPolarHBondContact O-CB 3.46Å; V419-L422 PolarHBondContact O-N 3.41Å
420	G	56.4	Low	80.5	Confident	1 Å²	1	19.8 Å²	19.8	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-57.5	-30	166	0	0	0	0	0	112.6	S415 T416 T417 L422 R450	S415-G420 PolarHBondContact OG-N 3.44Å; T416-G420 PolarHBondContact O-N 3.36Å; T417-G420 PolarHBondContact O-N 3.45Å; G420-L422 PolarHBondContact O-N 3.46Å; G420-R450 WeakPolarHBondContact O-CG 3.21Å; G420-R450 PolarHBondContact O-NE 3.31Å
421	G	58	Low	80.7	Confident	9 Å²	9	19.5 Å²	19.5	9%	0.093	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.8	170.8	0	0	0	0	0	114.6	T417 R418 V419 R450	T417-G421 PolarHBondContact O-N 2.93Å; R418-G421 PolarHBondContact O-N 2.84Å; V419-G421 PolarHBondContact O-N 3.19Å; G421-R450 PolarHBondContact O-NH2 3.06Å
422	L	65.6	Low	80.7	Confident	47 Å²	47	19.2 Å²	19.2	25%	0.246	10%	0.097	C	C	.	.	S	Bend	trans	-85.6	138.5	179.8	-57.7	166.1	0	0	0	109.7	T94 V419 G420 L424	T94-L422 HydrophobicContact CG2-CB 4.18Å; T94-L422 HydrophobicContact CG2-CD1 4.02Å; T94-L422 HydrophobicContact CG2-CD2 4.44Å; T94-L422 HydrophobicContact CG2-CG 4.45Å; V419-L422 HydrophobicContact CB-CD1 4.4Å; V419-L422 HydrophobicContact CG1-CD1 4.32Å; V419-L422 HydrophobicContact CG2-CD1 4.32Å; V419-L422 VanDerWaalsContact O-CB 3.26Å; V419-L422 WeakPolarHBondContact O-CB 3.46Å; V419-L422 PolarHBondContact O-N 3.41Å; G420-L422 PolarHBondContact O-N 3.46Å; L422-L424 VanDerWaalsContact C-N 3.29Å; L422-L424 PolarHBondContact O-N 2.75Å
423	G	64.6	Low	80.7	Confident	10 Å²	10	19.2 Å²	19.2	10%	0.103	10%	0.097	C	C	.	.	S	Bend	trans	-66.9	71.5	-163.8	0	0	0	0	0	118.1
424	L	76.1	Confident	80.8	Confident	6 Å²	6	19.2 Å²	19.2	3%	0.031	10%	0.097	C	C	.	.			trans	-115.9	136.7	174	-62	165.3	0	0	0	108.9	L388 R397 V401 L422 R450	L388-L424 HydrophobicContact CD2-CD1 3.7Å; R397-L424 HydrophobicContact CB-CD1 3.93Å; R397-L424 HydrophobicContact CB-CD2 4.39Å; V401-L424 HydrophobicContact CG1-CB 4.45Å; V401-L424 HydrophobicContact CG2-CB 4.04Å; V401-L424 HydrophobicContact CG2-CD1 4.1Å; V401-L424 HydrophobicContact CG2-CD2 4.48Å; V401-L424 HydrophobicContact CG2-CG 4.43Å; L422-L424 VanDerWaalsContact C-N 3.29Å; L422-L424 PolarHBondContact O-N 2.75Å; L424-R450 WeakPolarHBondContact O-CB 3.38Å; L424-R450 WeakPolarHBondContact O-CD 3.2Å
425	D	80	Confident	81	Confident	56 Å²	56	18.8 Å²	18.8	30%	0.299	10%	0.095	S	C	.	.			trans	-88.6	114.6	-176.8	-63.5	-29.3	0	0	0	110.6	V401 N405 R453	V401-D425 WeakPolarHBondContact CG1-O 3.14Å; N405-D425 PolarHBondContact ND2-O 3.01Å; D425-R453 WeakPolarHBondContact OD1-CD 3.26Å; D425-R453 IonicContact OD1-CZ 2.71Å; D425-R453 IonicContact OD1-NE 3.65Å; D425-R453 PolarHBondContact OD1-NE 3.05Å; D425-R453 IonicContact OD1-NH1 3.93Å; D425-R453 PolarHBondContact OD1-NH1 2.77Å
426	M	85	Confident	81	Confident	1 Å²	1	18.5 Å²	18.5	1%	0.005	9%	0.093	C	C	.	.			trans	-109.8	38	179.4	-67.4	179.8	-69.8	0	0	110.8	F364 M413 G428 A429 R450	F364-M426 HydrophobicContact CE1-CE 3.74Å; F364-M426 HydrophobicContact CZ-CE 3.48Å; F364-M426 VanDerWaalsContact CZ-CE 3.48Å; F364-M426 HydrophobicContact CZ-SD 4.41Å; M413-M426 HydrophobicContact CG-SD 4.14Å; M426-G428 PolarHBondContact O-N 3.32Å; M426-A429 PolarHBondContact O-N 3.31Å; M426-R450 CarbonylContact C-O 3.59Å; M426-R450 HydrophobicContact CB-CB 4.36Å; M426-R450 HydrophobicContact CE-CB 3.37Å; M426-R450 HydrophobicContact CE-CG 3.82Å; M426-R450 PolarHBondContact N-O 3.04Å
427	T	85.8	Confident	81	Confident	34 Å²	34	17.9 Å²	17.9	21%	0.209	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-15.7	179.2	53	0	0	0	0	112.8	A429 R453 Q456	T427-A429 PolarHBondContact O-N 3.44Å; T427-R453 HydrophobicContact CG2-CB 4.13Å; T427-Q456 PolarHBondContact O-NE2 2.83Å
428	G	86.8	Confident	81.3	Confident	5 Å²	5	18.4 Å²	18.4	5%	0.052	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.4	171.7	0	0	0	0	0	114.2	R360 N405 M426	R360-G428 PolarHBondContact NE-O 3.43Å; R360-G428 PolarHBondContact NH2-O 3.05Å; N405-G428 WeakPolarHBondContact OD1-CA 3.43Å; N405-G428 PolarHBondContact OD1-N 2.89Å; M426-G428 PolarHBondContact O-N 3.32Å
429	A	90.9	Very high	81.4	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.07	C	C	.	.			trans	-90.2	129.5	179.4	0	0	0	0	0	111.7	A362 F404 M426 T427 Q456	A362-A429 HydrophobicContact CB-CB 3.62Å; F404-A429 HydrophobicContact CE1-CB 4.08Å; F404-A429 HydrophobicContact CZ-CB 4.08Å; M426-A429 PolarHBondContact O-N 3.31Å; T427-A429 PolarHBondContact O-N 3.44Å; A429-Q456 PolarHBondContact O-NE2 3.45Å
430	D	92.1	Very high	82	Confident	2 Å²	2	13.1 Å²	13.1	1%	0.011	7%	0.072	C	C	.	.	S	Bend	trans	-109	-7.6	174.1	59	-24.8	0	0	0	112.5	H359 R360 R458 V460 L461	H359-D430 IonicContact CE1-OD2 2.66Å; H359-D430 IonicContact CG-OD2 3.97Å; H359-D430 IonicContact ND1-OD1 3.03Å; H359-D430 IonicContact ND1-OD2 3.49Å; H359-D430 PolarHBondContact ND1-OD2 3.4Å; R360-D430 PolarHBondContact N-OD1 3.08Å; R360-D430 PolarHBondContact O-N 3.21Å; D430-R458 HydrophobicContact CB-CB 3.91Å; D430-R458 WeakPolarHBondContact OD2-CD 3.33Å; D430-R458 IonicContact OD2-NH1 3.14Å; D430-V460 WeakPolarHBondContact O-CA 3.46Å; D430-L461 PolarHBondContact O-N 2.96Å
431	R	93.3	Very high	83.2	Confident	14 Å²	14	13.4 Å²	13.4	5%	0.053	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.3	172.3	-58.2	-64.6	174.4	-104.7	6.5	109.6	W354 H359 R360 V361 A362 D459	W354-R431 HydrophobicContact CD2-CB 4.12Å; W354-R431 HydrophobicContact CD2-CG 3.85Å; W354-R431 HydrophobicContact CE3-CB 3.84Å; W354-R431 HydrophobicContact CE3-CG 4.08Å; W354-R431 HydrophobicContact CG-CG 4.24Å; W354-R431 HydrophobicContact CH2-CB 3.81Å; W354-R431 HydrophobicContact CH2-CG 4.34Å; W354-R431 HydrophobicContact CZ2-CB 4.16Å; W354-R431 HydrophobicContact CZ2-CG 4.2Å; W354-R431 HydrophobicContact CZ3-CB 3.63Å; W354-R431 HydrophobicContact CZ3-CG 4.29Å; H359-R431 HydrophobicContact CB-CG 3.75Å; H359-R431 PolarHBondContact CE1-NH2 3.13Å; H359-R431 PolarHBondContact ND1-NH2 3.42Å; H359-R431 PolarHBondContact NE2-NH2 3.48Å; R360-R431 PolarHBondContact O-N 3.49Å; V361-R431 CarbonylContact C-O 3.6Å; V361-R431 VanDerWaalsContact CA-O 3.31Å; V361-R431 WeakPolarHBondContact CA-O 3.13Å; V361-R431 HydrophobicContact CG2-CB 4.22Å; A362-R431 PolarHBondContact N-O 3.24Å; R431-D459 PolarHBondContact NH1-O 2.6Å
432	V	92.7	Very high	84.3	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127	178.7	179.2	0	0	0	0	109.2	A362 F364 Q448 A451 V460 L461 V462 F463	A362-V432 HydrophobicContact CB-CG2 4.43Å; A362-V432 WeakPolarHBondContact O-CA 3.25Å; F364-V432 HydrophobicContact CD2-CG1 3.71Å; F364-V432 HydrophobicContact CE2-CG1 3.62Å; V432-Q448 HydrophobicContact CG1-CG 4.25Å; V432-A451 HydrophobicContact CG2-CB 3.58Å; V432-V460 HydrophobicContact CG2-CG1 4.1Å; V432-L461 PolarHBondContact N-O 3.13Å; V432-V462 HydrophobicContact CB-CB 4.48Å; V432-V462 HydrophobicContact CB-CG1 4.38Å; V432-V462 HydrophobicContact CB-CG2 4.13Å; V432-V462 HydrophobicContact CG1-CG1 4.3Å; V432-V462 CarbonylContact O-C 3.54Å; V432-V462 WeakPolarHBondContact O-CA 3.48Å; V432-F463 PolarHBondContact O-N 3.05Å
433	I	91.8	Very high	85.1	Confident	0 Å²	0	12 Å²	12	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.6	171.5	-64.1	179.1	0	0	0	109	L347 M350 W354 V361 A362 L363 F364 F463 L465	L347-I433 HydrophobicContact CD1-CD1 3.47Å; L347-I433 VanDerWaalsContact CD1-CD1 3.47Å; L347-I433 HydrophobicContact CD1-CG2 4.39Å; M350-I433 HydrophobicContact CB-CD1 4.48Å; M350-I433 HydrophobicContact CE-CD1 4.03Å; M350-I433 HydrophobicContact CE-CG1 4.24Å; M350-I433 HydrophobicContact SD-CD1 4.2Å; W354-I433 HydrophobicContact CE3-CD1 4.39Å; W354-I433 HydrophobicContact CH2-CD1 3.65Å; W354-I433 HydrophobicContact CH2-CG1 3.58Å; W354-I433 HydrophobicContact CZ3-CD1 3.32Å; W354-I433 HydrophobicContact CZ3-CG1 3.6Å; V361-I433 HydrophobicContact CG1-CD1 4.37Å; V361-I433 HydrophobicContact CG1-CG1 4.46Å; A362-I433 PolarHBondContact O-N 3.48Å; L363-I433 HydrophobicContact CD1-CB 3.58Å; L363-I433 HydrophobicContact CD1-CD1 4.49Å; L363-I433 HydrophobicContact CD1-CG2 3.44Å; L363-I433 VanDerWaalsContact CD1-CG2 3.44Å; F364-I433 PolarHBondContact N-O 2.88Å; I433-F463 CarbonylContact C-O 3.59Å; I433-F463 WeakPolarHBondContact CA-O 3.49Å; I433-L465 HydrophobicContact CG2-CD1 4.12Å; I433-L465 HydrophobicContact CG2-CG 4.19Å
434	L	91.3	Very high	86.2	Confident	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	98.4	164.1	-59.8	-176.2	0	0	0	107.9	F364 D444 Q448 F463 R464 L465	F364-L434 HydrophobicContact CB-CD2 3.74Å; F364-L434 HydrophobicContact CD2-CD2 3.74Å; F364-L434 HydrophobicContact CG-CD2 4.07Å; L434-D444 HydrophobicContact CD1-CB 3.71Å; L434-Q448 HydrophobicContact CD1-CG 4.29Å; L434-F463 PolarHBondContact N-O 3.12Å; L434-R464 HydrophobicContact CB-CG 4.27Å; L434-R464 HydrophobicContact CD1-CG 3.91Å; L434-R464 HydrophobicContact CG-CG 4.46Å; L434-L465 PolarHBondContact O-N 3.14Å
435	F	90.6	Very high	86.5	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	-69.1	-38.8	-175	-173.1	-90.8	0	0	0	112.4	N325 K343 M344 L347 L363 F364 Y373 L465	N325-F435 HydrophobicContact CB-CE1 3.87Å; N325-F435 WeakPolarHBondContact OD1-CE1 3.33Å; K343-F435 HydrophobicContact CB-CE2 3.84Å; K343-F435 HydrophobicContact CB-CZ 3.66Å; K343-F435 HydrophobicContact CD-CE1 4.03Å; K343-F435 HydrophobicContact CD-CE2 4.48Å; K343-F435 HydrophobicContact CD-CZ 3.98Å; K343-F435 PolarHBondContact NZ-O 3.04Å; M344-F435 HydrophobicContact CG-CZ 4.35Å; M344-F435 HydrophobicContact SD-CE2 3.72Å; M344-F435 HydrophobicContact SD-CZ 3.86Å; L347-F435 HydrophobicContact CD2-CD2 4.08Å; L347-F435 HydrophobicContact CD2-CE2 4.02Å; L363-F435 HydrophobicContact CD1-CB 4.14Å; F364-F435 VanDerWaalsContact O-CB 3.3Å; F364-F435 WeakPolarHBondContact O-CB 3.4Å; F364-F435 PolarHBondContact O-N 3.48Å; Y373-F435 WeakPolarHBondContact OH-CD1 3.31Å; Y373-F435 WeakPolarHBondContact OH-CE1 3.23Å; Y373-F435 WeakPolarHBondContact OH-CZ 3.42Å; F435-L465 HydrophobicContact CD2-CD1 3.85Å; F435-L465 HydrophobicContact CE2-CD1 4.21Å
436	D	88.3	Confident	86.8	Confident	3 Å²	3	11.3 Å²	11.3	2%	0.016	6%	0.061	C	C	.	.	S	Bend	trans	-141	112.5	176	53.9	-41.7	0	0	0	109.6	N325 S365 Q366	N325-D436 PolarHBondContact ND2-OD2 3.3Å; S365-D436 WeakPolarHBondContact CA-OD1 3.37Å; S365-D436 WeakPolarHBondContact CB-OD1 3.11Å; S365-D436 PolarHBondContact OG-OD1 3.48Å; Q366-D436 WeakPolarHBondContact CB-OD2 3.26Å; Q366-D436 PolarHBondContact N-OD1 3.28Å; Q366-D436 PolarHBondContact N-OD2 3.28Å; Q366-D436 VanDerWaalsContact N-OD2 3.16Å
437	P	85.4	Confident	86.8	Confident	4 Å²	4	11.3 Å²	11.3	3%	0.026	6%	0.06	C	C	.	.			trans	-67.1	152.2	-176.4	26.2	-33.2	0	0	0	112.1	R321 D444 I466	R321-P437 PolarHBondContact NH2-O 3.28Å; P437-D444 WeakPolarHBondContact CA-OD2 3.49Å; P437-D444 WeakPolarHBondContact CB-OD2 3.48Å; P437-I466 HydrophobicContact CG-CG1 4.43Å
438	D	85.4	Confident	86.9	Confident	13 Å²	13	9.7 Å²	9.7	7%	0.07	5%	0.051	C	C	.	.			trans	-75.7	168.2	173.5	-148	-19.1	0	0	0	112.5	Q366 N440 T443 D444 Q479	Q366-D438 PolarHBondContact NE2-OD1 2.75Å; Q366-D438 PolarHBondContact NE2-OD2 3.25Å; D438-N440 PolarHBondContact O-N 2.73Å; D438-T443 WeakPolarHBondContact OD2-CG2 3.37Å; D438-D444 PolarHBondContact N-OD1 3.39Å; D438-D444 PolarHBondContact N-OD2 3.19Å; D438-Q479 PolarHBondContact O-NE2 2.94Å
439	W	81.2	Confident	86.9	Confident	55 Å²	55	9.6 Å²	9.6	21%	0.208	5%	0.049	C	C	.	.	S	Bend	trans	-70.3	-17.5	163.9	-74.5	90.7	0	0	0	113.5	L317 I475 R478 K482 L507	L317-W439 HydrophobicContact CD1-CH2 4.23Å; L317-W439 HydrophobicContact CD1-CZ2 3.89Å; L317-W439 HydrophobicContact CD2-CZ2 4.49Å; W439-I475 HydrophobicContact CD2-CD1 4.45Å; W439-I475 HydrophobicContact CD2-CG1 4.13Å; W439-I475 HydrophobicContact CD2-CG2 4.09Å; W439-I475 HydrophobicContact CE3-CG1 4.06Å; W439-I475 HydrophobicContact CE3-CG2 4.11Å; W439-I475 HydrophobicContact CG-CG2 4.44Å; W439-I475 HydrophobicContact CH2-CD1 4.04Å; W439-I475 HydrophobicContact CH2-CG1 3.43Å; W439-I475 VanDerWaalsContact CH2-CG1 3.43Å; W439-I475 HydrophobicContact CZ2-CD1 3.52Å; W439-I475 HydrophobicContact CZ2-CG1 3.46Å; W439-I475 VanDerWaalsContact CZ2-CG1 3.46Å; W439-I475 HydrophobicContact CZ3-CB 4.46Å; W439-I475 HydrophobicContact CZ3-CG1 3.71Å; W439-R478 VanDerWaalsContact CZ3-NH1 3.26Å; W439-K482 PolarHBondContact O-NZ 3.32Å; W439-L507 HydrophobicContact CH2-CD2 4.33Å
440	N	80.4	Confident	86.5	Confident	15 Å²	15	10 Å²	10	8%	0.08	5%	0.05	C	C	.	.	S	Bend	trans	-112.1	108.4	-176.8	-175.1	31.1	0	0	0	109.8	Q197 N198 D438 T442 T443	Q197-N440 PolarHBondContact OE1-ND2 2.73Å; N198-N440 PolarHBondContact ND2-OD1 3.08Å; N198-N440 PolarHBondContact OD1-OD1 3.32Å; D438-N440 PolarHBondContact O-N 2.73Å; N440-T442 PolarHBondContact ND2-OG1 3.38Å; N440-T442 PolarHBondContact O-N 3.12Å; N440-T442 VanDerWaalsContact O-N 3.12Å; N440-T442 PolarHBondContact OD1-OG1 2.79Å; N440-T443 PolarHBondContact ND2-OG1 2.68Å; N440-T443 VanDerWaalsContact ND2-OG1 3.14Å; N440-T443 PolarHBondContact O-N 2.94Å; N440-T443 VanDerWaalsContact O-N 3.11Å
441	P	82.6	Confident	86.3	Confident	7 Å²	7	9.9 Å²	9.9	5%	0.045	5%	0.05	C	C	.	.	H	α-helix	trans	-59.8	-29.6	-176.1	23.7	-33	0	0	0	112.5	T443 D444 V445 Q479 K482	P441-T443 VanDerWaalsContact C-N 3.29Å; P441-T443 PolarHBondContact O-N 3.5Å; P441-D444 PolarHBondContact O-N 3.12Å; P441-V445 WeakPolarHBondContact O-CG2 3.31Å; P441-V445 PolarHBondContact O-N 3.28Å; P441-Q479 HydrophobicContact CB-CB 4.17Å; P441-Q479 HydrophobicContact CB-CG 4.42Å; P441-Q479 HydrophobicContact CG-CB 4.48Å; P441-K482 HydrophobicContact CG-CB 4.32Å
442	T	80.8	Confident	86	Confident	9 Å²	9	10 Å²	10	6%	0.055	5%	0.05	C	C	.	.	H	α-helix	trans	-67.9	-28.6	-178.7	70.2	0	0	0	0	113.1	Q197 N440 Q446	Q197-T442 HydrophobicContact CB-CG2 3.87Å; Q197-T442 VanDerWaalsContact CD-OG1 3.24Å; Q197-T442 HydrophobicContact CG-CG2 3.82Å; Q197-T442 WeakPolarHBondContact CG-OG1 3.5Å; Q197-T442 PolarHBondContact NE2-OG1 3.19Å; N440-T442 PolarHBondContact ND2-OG1 3.38Å; N440-T442 PolarHBondContact O-N 3.12Å; N440-T442 VanDerWaalsContact O-N 3.12Å; N440-T442 PolarHBondContact OD1-OG1 2.79Å; T442-Q446 VanDerWaalsContact O-CB 3.26Å; T442-Q446 WeakPolarHBondContact O-CB 3.39Å; T442-Q446 WeakPolarHBondContact O-CG 3.48Å; T442-Q446 PolarHBondContact O-N 3.43Å
443	T	82.8	Confident	85.5	Confident	19 Å²	19	12 Å²	12	12%	0.117	6%	0.058	C	C	.	.	H	α-helix	trans	-69.4	-38.7	177.2	-60	0	0	0	0	110.8	R418 D438 N440 P441 A447	R418-T443 HydrophobicContact CG-CG2 4.45Å; D438-T443 WeakPolarHBondContact OD2-CG2 3.37Å; N440-T443 PolarHBondContact ND2-OG1 2.68Å; N440-T443 VanDerWaalsContact ND2-OG1 3.14Å; N440-T443 PolarHBondContact O-N 2.94Å; N440-T443 VanDerWaalsContact O-N 3.11Å; P441-T443 VanDerWaalsContact C-N 3.29Å; P441-T443 PolarHBondContact O-N 3.5Å; T443-A447 PolarHBondContact O-N 3.08Å; T443-A447 VanDerWaalsContact O-N 3.16Å
444	D	86.3	Confident	84.8	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-68	-46.5	175.9	-69.4	-10	0	0	0	111.2	L434 P437 D438 P441 Q446 A447 Q448 R464 Q479	L434-D444 HydrophobicContact CD1-CB 3.71Å; P437-D444 WeakPolarHBondContact CA-OD2 3.49Å; P437-D444 WeakPolarHBondContact CB-OD2 3.48Å; D438-D444 PolarHBondContact N-OD1 3.39Å; D438-D444 PolarHBondContact N-OD2 3.19Å; P441-D444 PolarHBondContact O-N 3.12Å; D444-Q446 VanDerWaalsContact C-N 3.35Å; D444-Q446 PolarHBondContact O-N 3.14Å; D444-A447 PolarHBondContact O-N 3.48Å; D444-Q448 WeakPolarHBondContact O-CG 3.47Å; D444-Q448 PolarHBondContact O-N 3.39Å; D444-Q448 VanDerWaalsContact O-N 3.11Å; D444-R464 IonicContact OD2-NH1 3.96Å; D444-Q479 PolarHBondContact OD2-NE2 3.32Å
445	V	83.8	Confident	84.2	Confident	45 Å²	45	18.5 Å²	18.5	27%	0.273	11%	0.106	S	C	.	.	H	α-helix	trans	-58.4	-47.9	174.3	173.8	0	0	0	0	110.1	P441 A447 Q448 E449	P441-V445 WeakPolarHBondContact O-CG2 3.31Å; P441-V445 PolarHBondContact O-N 3.28Å; V445-A447 PolarHBondContact O-N 3.01Å; V445-Q448 WeakPolarHBondContact O-CB 3.25Å; V445-Q448 PolarHBondContact O-N 3.42Å; V445-Q448 VanDerWaalsContact O-N 3.08Å; V445-E449 HydrophobicContact CG1-CG 3.97Å; V445-E449 VanDerWaalsContact O-CG 3.25Å; V445-E449 WeakPolarHBondContact O-CG 3.47Å; V445-E449 PolarHBondContact O-N 3.42Å
446	Q	85.6	Confident	83.9	Confident	12 Å²	12	19.1 Å²	19.1	6%	0.056	11%	0.109	C	C	.	.	H	α-helix	trans	-55.4	-37.5	178.2	-79.3	174	8.5	0	0	113.4	M61 S194 T442 D444 R450	M61-Q446 HydrophobicContact CE-CB 3.91Å; M61-Q446 HydrophobicContact CE-CG 3.87Å; M61-Q446 WeakPolarHBondContact CE-O 3.35Å; M61-Q446 VanDerWaalsContact SD-CA 3.58Å; M61-Q446 HydrophobicContact SD-CB 3.89Å; M61-Q446 HydrophobicContact SD-CG 3.39Å; M61-Q446 WeakPolarHBondContact SD-CG 3.03Å; S194-Q446 PolarHBondContact OG-NE2 3.06Å; T442-Q446 VanDerWaalsContact O-CB 3.26Å; T442-Q446 WeakPolarHBondContact O-CB 3.39Å; T442-Q446 WeakPolarHBondContact O-CG 3.48Å; T442-Q446 PolarHBondContact O-N 3.43Å; D444-Q446 VanDerWaalsContact C-N 3.35Å; D444-Q446 PolarHBondContact O-N 3.14Å; Q446-R450 WeakPolarHBondContact O-CG 3.31Å
447	A	85.3	Confident	83.7	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-70.1	-42.2	177.2	0	0	0	0	0	112.2	F364 T443 D444 V445 R450	F364-A447 HydrophobicContact CD1-CB 4.02Å; F364-A447 HydrophobicContact CD2-CB 4.19Å; F364-A447 HydrophobicContact CE1-CB 3.9Å; F364-A447 HydrophobicContact CE2-CB 4.05Å; F364-A447 HydrophobicContact CG-CB 4.16Å; F364-A447 HydrophobicContact CZ-CB 3.9Å; F364-A447 WeakPolarHBondContact CZ-O 2.96Å; T443-A447 PolarHBondContact O-N 3.08Å; T443-A447 VanDerWaalsContact O-N 3.16Å; D444-A447 PolarHBondContact O-N 3.48Å; V445-A447 PolarHBondContact O-N 3.01Å; A447-R450 WeakPolarHBondContact O-CB 2.95Å; A447-R450 PolarHBondContact O-N 2.85Å
448	Q	87.9	Confident	83.8	Confident	1 Å²	1	30 Å²	30	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-62.6	-42.5	176.3	-63.3	166.1	10	0	0	112.3	K277 V432 L434 D444 V445 R450 A451 W452 V462	K277-Q448 VanDerWaalsContact NZ-OE1 3.11Å; V432-Q448 HydrophobicContact CG1-CG 4.25Å; L434-Q448 HydrophobicContact CD1-CG 4.29Å; D444-Q448 WeakPolarHBondContact O-CG 3.47Å; D444-Q448 PolarHBondContact O-N 3.39Å; D444-Q448 VanDerWaalsContact O-N 3.11Å; V445-Q448 WeakPolarHBondContact O-CB 3.25Å; V445-Q448 PolarHBondContact O-N 3.42Å; V445-Q448 VanDerWaalsContact O-N 3.08Å; Q448-R450 PolarHBondContact O-N 3.21Å; Q448-A451 PolarHBondContact O-N 3.36Å; Q448-W452 PolarHBondContact O-N 3.03Å; Q448-W452 VanDerWaalsContact O-N 3.13Å; Q448-V462 HydrophobicContact CB-CG2 4.45Å; Q448-V462 HydrophobicContact CG-CG1 3.8Å; Q448-V462 HydrophobicContact CG-CG2 4.21Å
449	E	86.2	Confident	83.9	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.009	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-8.1	-178.9	-66.4	-54.5	122.5	0	0	113.5	M61 K265 K277 V445	M61-E449 HydrophobicContact CB-CB 3.75Å; M61-E449 HydrophobicContact CB-CG 4.05Å; M61-E449 HydrophobicContact CE-CB 4.07Å; M61-E449 HydrophobicContact CG-CB 4.5Å; M61-E449 HydrophobicContact SD-CB 3.98Å; M61-E449 HydrophobicContact SD-CG 4.18Å; K265-E449 IonicContact NZ-OE2 3.37Å; K265-E449 PolarHBondContact NZ-OE2 3Å; K277-E449 IonicContact NZ-OE1 3.31Å; K277-E449 PolarHBondContact NZ-OE1 3.5Å; V445-E449 HydrophobicContact CG1-CG 3.97Å; V445-E449 VanDerWaalsContact O-CG 3.25Å; V445-E449 WeakPolarHBondContact O-CG 3.47Å; V445-E449 PolarHBondContact O-N 3.42Å
450	R	83.8	Confident	84.4	Confident	9 Å²	9	30 Å²	30	3%	0.034	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-28.9	170.4	-58.5	-44.3	179.9	-174.8	-7	113.2	M61 G420 G421 L424 M426 Q446 A447 Q448	M61-R450 VanDerWaalsContact CE-NH2 3.32Å; G420-R450 WeakPolarHBondContact O-CG 3.21Å; G420-R450 PolarHBondContact O-NE 3.31Å; G421-R450 PolarHBondContact O-NH2 3.06Å; L424-R450 WeakPolarHBondContact O-CB 3.38Å; L424-R450 WeakPolarHBondContact O-CD 3.2Å; M426-R450 CarbonylContact C-O 3.59Å; M426-R450 HydrophobicContact CB-CB 4.36Å; M426-R450 HydrophobicContact CE-CB 3.37Å; M426-R450 HydrophobicContact CE-CG 3.82Å; M426-R450 PolarHBondContact N-O 3.04Å; Q446-R450 WeakPolarHBondContact O-CG 3.31Å; A447-R450 WeakPolarHBondContact O-CB 2.95Å; A447-R450 PolarHBondContact O-N 2.85Å; Q448-R450 PolarHBondContact O-N 3.21Å
451	A	86.5	Confident	84.9	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-41.5	175	0	0	0	0	0	111	V432 Q448 R453 Q456	V432-A451 HydrophobicContact CG2-CB 3.58Å; Q448-A451 PolarHBondContact O-N 3.36Å; A451-R453 PolarHBondContact O-N 3.38Å; A451-Q456 PolarHBondContact O-NE2 3.31Å
452	W	86.6	Confident	85.3	Confident	16 Å²	16	29.2 Å²	29.2	6%	0.061	16%	0.163	C	C	.	.	S	Bend	trans	-90.8	81.3	174.4	-168.9	57.2	0	0	0	110.8	K265 P275 K277 Q448 V460	K265-W452 HydrophobicContact CB-CH2 3.96Å; K265-W452 HydrophobicContact CB-CZ3 4.4Å; K265-W452 HydrophobicContact CD-CD2 4.39Å; K265-W452 HydrophobicContact CD-CE3 3.75Å; K265-W452 HydrophobicContact CD-CH2 3.53Å; K265-W452 HydrophobicContact CD-CZ2 4.15Å; K265-W452 HydrophobicContact CD-CZ3 3.3Å; K265-W452 HydrophobicContact CG-CH2 4.43Å; K265-W452 HydrophobicContact CG-CZ3 4.49Å; K265-W452 PolarHBondContact NZ-O 2.88Å; P275-W452 PolarHBondContact O-NE1 3.43Å; K277-W452 HydrophobicContact CB-CD2 3.77Å; K277-W452 HydrophobicContact CB-CE3 4.23Å; K277-W452 HydrophobicContact CB-CG 4.12Å; K277-W452 HydrophobicContact CB-CH2 4.31Å; K277-W452 HydrophobicContact CB-CZ2 3.9Å; K277-W452 HydrophobicContact CB-CZ3 4.46Å; K277-W452 HydrophobicContact CD-CB 4.36Å; K277-W452 HydrophobicContact CD-CD2 3.61Å; K277-W452 HydrophobicContact CD-CE3 3.33Å; K277-W452 HydrophobicContact CD-CG 4.08Å; K277-W452 HydrophobicContact CD-CH2 4.38Å; K277-W452 HydrophobicContact CD-CZ3 3.74Å; K277-W452 HydrophobicContact CG-CD2 4.25Å; K277-W452 HydrophobicContact CG-CE3 4.38Å; Q448-W452 PolarHBondContact O-N 3.03Å; Q448-W452 VanDerWaalsContact O-N 3.13Å; W452-V460 HydrophobicContact CB-CB 4.22Å; W452-V460 HydrophobicContact CB-CG1 4.24Å; W452-V460 HydrophobicContact CB-CG2 4.05Å; W452-V460 HydrophobicContact CG-CB 4.42Å; W452-V460 HydrophobicContact CG-CG2 4.29Å
453	R	83.8	Confident	85.8	Confident	41 Å²	41	28.8 Å²	28.8	16%	0.155	16%	0.16	C	C	.	.	S	Bend	trans	-137.2	161.8	-178.2	-164.1	165	-179.7	172.3	-0.1	110.7	D425 T427 A451 G455 Q456	D425-R453 WeakPolarHBondContact OD1-CD 3.26Å; D425-R453 IonicContact OD1-CZ 2.71Å; D425-R453 IonicContact OD1-NE 3.65Å; D425-R453 PolarHBondContact OD1-NE 3.05Å; D425-R453 IonicContact OD1-NH1 3.93Å; D425-R453 PolarHBondContact OD1-NH1 2.77Å; T427-R453 HydrophobicContact CG2-CB 4.13Å; A451-R453 PolarHBondContact O-N 3.38Å; R453-G455 PolarHBondContact O-N 2.95Å; R453-Q456 WeakPolarHBondContact O-CB 3.25Å; R453-Q456 PolarHBondContact O-N 2.88Å
454	I	76.3	Confident	86.3	Confident	78 Å²	78	28 Å²	28	40%	0.4	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	128.8	173.9	-58.3	179	0	0	0	108.9	G62 V272	G62-I454 WeakPolarHBondContact O-CD1 3.35Å; G62-I454 WeakPolarHBondContact O-CG1 3.13Å; V272-I454 HydrophobicContact CG1-CD1 4.23Å; V272-I454 HydrophobicContact CG1-CG1 3.93Å
455	G	78.6	Confident	86.5	Confident	59 Å²	59	28 Å²	28	61%	0.608	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	100.4	-8.3	-171.3	0	0	0	0	0	114.4	R453	R453-G455 PolarHBondContact O-N 2.95Å
456	Q	85.5	Confident	86.8	Confident	14 Å²	14	25.9 Å²	25.9	7%	0.065	14%	0.142	C	C	.	.			trans	-71.5	129.4	167.4	-179.2	57.6	-91.6	0	0	110	P275 T427 A429 A451 R453 R458 V460	P275-Q456 WeakPolarHBondContact CD-O 3.32Å; P275-Q456 HydrophobicContact CG-CB 4.27Å; P275-Q456 HydrophobicContact CG-CG 3.76Å; T427-Q456 PolarHBondContact O-NE2 2.83Å; A429-Q456 PolarHBondContact O-NE2 3.45Å; A451-Q456 PolarHBondContact O-NE2 3.31Å; R453-Q456 WeakPolarHBondContact O-CB 3.25Å; R453-Q456 PolarHBondContact O-N 2.88Å; Q456-R458 VanDerWaalsContact CG-O 3.23Å; Q456-R458 WeakPolarHBondContact CG-O 3.4Å; Q456-R458 VanDerWaalsContact OE1-N 3.12Å; Q456-V460 HydrophobicContact CG-CG2 3.69Å
457	T	84.1	Confident	86.9	Confident	127 Å²	127	25.4 Å²	25.4	78%	0.779	14%	0.14	S	C	*	.			trans	-107.7	-8.7	-177.5	54.7	0	0	0	0	113.2
458	R	86.1	Confident	86.8	Confident	107 Å²	107	25.8 Å²	25.8	40%	0.404	14%	0.143	S	C	.	.	S	Bend	trans	-121.5	150.1	-177.3	-66.9	-177.1	169.8	175.5	-5.3	112	P275 D430 Q456 V460	P275-R458 WeakPolarHBondContact CG-O 3.49Å; D430-R458 HydrophobicContact CB-CB 3.91Å; D430-R458 WeakPolarHBondContact OD2-CD 3.33Å; D430-R458 IonicContact OD2-NH1 3.14Å; Q456-R458 VanDerWaalsContact CG-O 3.23Å; Q456-R458 WeakPolarHBondContact CG-O 3.4Å; Q456-R458 VanDerWaalsContact OE1-N 3.12Å; R458-V460 PolarHBondContact O-N 3.03Å
459	D	88.6	Confident	86.3	Confident	67 Å²	67	26.3 Å²	26.3	36%	0.358	15%	0.147	S	C	.	.			trans	-58.8	128.7	173.3	-64.3	-25.8	0	0	0	111	P275 L276 R431	P275-D459 VanDerWaalsContact CB-OD1 3.31Å; P275-D459 WeakPolarHBondContact CB-OD1 3.35Å; L276-D459 PolarHBondContact N-OD1 3.28Å; L276-D459 CarbonylContact O-C 3.59Å; L276-D459 WeakPolarHBondContact O-CA 3.44Å; R431-D459 PolarHBondContact NH1-O 2.6Å
460	V	90.6	Very high	86.2	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.1	-176.1	-178.6	0	0	0	0	109.4	L276 K277 S278 D430 V432 W452 Q456 R458 V462	L276-V460 PolarHBondContact O-N 2.94Å; K277-V460 VanDerWaalsContact CA-O 3.31Å; K277-V460 WeakPolarHBondContact CA-O 3.46Å; S278-V460 PolarHBondContact N-O 3.08Å; S278-V460 VanDerWaalsContact N-O 3.12Å; D430-V460 WeakPolarHBondContact O-CA 3.46Å; V432-V460 HydrophobicContact CG2-CG1 4.1Å; W452-V460 HydrophobicContact CB-CB 4.22Å; W452-V460 HydrophobicContact CB-CG1 4.24Å; W452-V460 HydrophobicContact CB-CG2 4.05Å; W452-V460 HydrophobicContact CG-CB 4.42Å; W452-V460 HydrophobicContact CG-CG2 4.29Å; Q456-V460 HydrophobicContact CG-CG2 3.69Å; R458-V460 PolarHBondContact O-N 3.03Å; V460-V462 HydrophobicContact CG1-CG2 4.32Å
461	L	91.4	Very high	86.3	Confident	6 Å²	6	25.8 Å²	25.8	3%	0.031	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.8	178.4	-172.6	68.9	0	0	0	109.8	S278 D430 V432 F463 I625	S278-L461 WeakPolarHBondContact OG-CD1 3.39Å; D430-L461 PolarHBondContact O-N 2.96Å; V432-L461 PolarHBondContact N-O 3.13Å; L461-F463 HydrophobicContact CD1-CE2 4.28Å; L461-F463 HydrophobicContact CD1-CZ 4.38Å; L461-F463 HydrophobicContact CD2-CD2 4.15Å; L461-F463 HydrophobicContact CD2-CE2 3.25Å; L461-F463 HydrophobicContact CD2-CZ 3.81Å; L461-F463 HydrophobicContact CG-CD2 4.03Å; L461-F463 HydrophobicContact CG-CE2 3.51Å; L461-F463 HydrophobicContact CG-CZ 4.08Å; L461-I625 HydrophobicContact CD2-CD1 3.07Å; L461-I625 HydrophobicContact CD2-CG1 4.41Å
462	V	91.2	Very high	86.3	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.2	-178.7	-175.8	0	0	0	0	109.5	S278 D279 H280 V432 Q448 V460	S278-V462 PolarHBondContact O-N 2.93Å; D279-V462 HydrophobicContact CB-CB 4.31Å; H280-V462 PolarHBondContact N-O 2.99Å; V432-V462 HydrophobicContact CB-CB 4.48Å; V432-V462 HydrophobicContact CB-CG1 4.38Å; V432-V462 HydrophobicContact CB-CG2 4.13Å; V432-V462 HydrophobicContact CG1-CG1 4.3Å; V432-V462 CarbonylContact O-C 3.54Å; V432-V462 WeakPolarHBondContact O-CA 3.48Å; Q448-V462 HydrophobicContact CB-CG2 4.45Å; Q448-V462 HydrophobicContact CG-CG1 3.8Å; Q448-V462 HydrophobicContact CG-CG2 4.21Å; V460-V462 HydrophobicContact CG1-CG2 4.32Å
463	F	91.2	Very high	86.2	Confident	1 Å²	1	25.2 Å²	25.2	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.3	173.7	-76.6	-72.8	0	0	0	111.8	H280 L282 M350 W354 V432 I433 L434 L461 I625	H280-F463 HydrophobicContact CB-CD1 3.7Å; H280-F463 HydrophobicContact CB-CE1 3.64Å; H280-F463 AromaticContact CD2-CE1 3.98Å; H280-F463 CarbonylContact O-C 3.21Å; H280-F463 WeakPolarHBondContact O-CA 2.94Å; L282-F463 HydrophobicContact CD1-CB 4.39Å; L282-F463 HydrophobicContact CD1-CD1 3.53Å; L282-F463 HydrophobicContact CD1-CE1 4.01Å; L282-F463 HydrophobicContact CD1-CG 4.15Å; L282-F463 HydrophobicContact CD2-CD1 4.12Å; L282-F463 HydrophobicContact CD2-CE1 4.11Å; L282-F463 HydrophobicContact CG-CD1 3.67Å; L282-F463 HydrophobicContact CG-CE1 4.16Å; M350-F463 HydrophobicContact CE-CB 3.69Å; M350-F463 HydrophobicContact CE-CD1 4.15Å; M350-F463 HydrophobicContact CE-CD2 3.23Å; M350-F463 HydrophobicContact CE-CE2 3.76Å; M350-F463 HydrophobicContact CE-CG 3.42Å; M350-F463 VanDerWaalsContact CE-CG 3.42Å; M350-F463 HydrophobicContact CE-CZ 4.43Å; W354-F463 AromaticContact CH2-CD2 3.85Å; W354-F463 HydrophobicContact CH2-CD2 3.85Å; W354-F463 HydrophobicContact CH2-CE2 4.35Å; W354-F463 AromaticContact CZ2-CD2 3.65Å; W354-F463 HydrophobicContact CZ2-CD2 3.65Å; W354-F463 AromaticContact CZ2-CE2 3.67Å; W354-F463 HydrophobicContact CZ2-CE2 3.67Å; V432-F463 PolarHBondContact O-N 3.05Å; I433-F463 CarbonylContact C-O 3.59Å; I433-F463 WeakPolarHBondContact CA-O 3.49Å; L434-F463 PolarHBondContact N-O 3.12Å; L461-F463 HydrophobicContact CD1-CE2 4.28Å; L461-F463 HydrophobicContact CD1-CZ 4.38Å; L461-F463 HydrophobicContact CD2-CD2 4.15Å; L461-F463 HydrophobicContact CD2-CE2 3.25Å; L461-F463 HydrophobicContact CD2-CZ 3.81Å; L461-F463 HydrophobicContact CG-CD2 4.03Å; L461-F463 HydrophobicContact CG-CE2 3.51Å; L461-F463 HydrophobicContact CG-CZ 4.08Å; F463-I625 HydrophobicContact CE2-CG2 4.12Å; F463-I625 HydrophobicContact CZ-CG2 3.9Å
464	R	92	Very high	86.1	Confident	3 Å²	3	23.5 Å²	23.5	1%	0.011	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	117.1	173.1	-60.7	-180	-171.3	-119.9	12.7	109.5	D279 H280 V281 L282 L434 D444	D279-R464 IonicContact OD1-NE 3.23Å; D279-R464 PolarHBondContact OD1-NE 3.09Å; D279-R464 VanDerWaalsContact OD1-NE 3.14Å; D279-R464 IonicContact OD2-CZ 3.9Å; D279-R464 VanDerWaalsContact OD2-CZ 3.31Å; D279-R464 IonicContact OD2-NE 2.72Å; D279-R464 PolarHBondContact OD2-NE 3.14Å; D279-R464 IonicContact OD2-NH2 2.84Å; D279-R464 PolarHBondContact OD2-NH2 3.38Å; H280-R464 PolarHBondContact O-N 3.06Å; V281-R464 HydrophobicContact CG2-CB 4.26Å; L282-R464 PolarHBondContact N-O 2.64Å; L434-R464 HydrophobicContact CB-CG 4.27Å; L434-R464 HydrophobicContact CD1-CG 3.91Å; L434-R464 HydrophobicContact CG-CG 4.46Å; D444-R464 IonicContact OD2-NH1 3.96Å
465	L	90.8	Very high	86.4	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	117	175.5	-56.1	-174.6	0	0	0	109.6	L282 K343 V346 M350 I433 L434 F435	L282-L465 HydrophobicContact CB-CD2 3.96Å; L282-L465 HydrophobicContact CD1-CD2 3.84Å; L282-L465 HydrophobicContact CG-CD2 4.41Å; K343-L465 HydrophobicContact CD-CB 4.37Å; K343-L465 PolarHBondContact NZ-O 2.92Å; V346-L465 HydrophobicContact CG1-CD2 4.12Å; M350-L465 HydrophobicContact SD-CD2 4.35Å; I433-L465 HydrophobicContact CG2-CD1 4.12Å; I433-L465 HydrophobicContact CG2-CG 4.19Å; L434-L465 PolarHBondContact O-N 3.14Å; F435-L465 HydrophobicContact CD2-CD1 3.85Å; F435-L465 HydrophobicContact CE2-CD1 4.21Å
466	I	90.3	Very high	86.8	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	132.2	-179.4	-54.7	-172	0	0	0	108.1	V281 L282 F283 C284 P437 E472 E473 Y476	V281-I466 HydrophobicContact CG1-CB 4.44Å; V281-I466 HydrophobicContact CG1-CD1 3.38Å; V281-I466 HydrophobicContact CG1-CG1 3.88Å; L282-I466 PolarHBondContact O-N 3.06Å; F283-I466 CarbonylContact C-O 3.55Å; F283-I466 VanDerWaalsContact CA-O 3.23Å; F283-I466 WeakPolarHBondContact CA-O 3.42Å; F283-I466 HydrophobicContact CD1-CB 4.37Å; F283-I466 HydrophobicContact CD1-CG2 4.32Å; F283-I466 HydrophobicContact CE1-CB 4.4Å; F283-I466 HydrophobicContact CE1-CG2 4.15Å; C284-I466 PolarHBondContact N-O 3.21Å; P437-I466 HydrophobicContact CG-CG1 4.43Å; I466-E472 HydrophobicContact CG2-CB 4.21Å; I466-E473 HydrophobicContact CG2-CB 4.38Å; I466-Y476 HydrophobicContact CD1-CD1 3.7Å; I466-Y476 HydrophobicContact CD1-CD2 3.39Å; I466-Y476 HydrophobicContact CD1-CE1 4.17Å; I466-Y476 HydrophobicContact CD1-CE2 3.92Å; I466-Y476 HydrophobicContact CD1-CG 3.28Å
467	T	88.3	Confident	86.5	Confident	2 Å²	2	16.6 Å²	16.6	1%	0.012	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	124.7	176	-59	0	0	0	0	111.8	C284 L286 K343 T470 E472	C284-T467 CarbonylContact O-C 3.56Å; C284-T467 VanDerWaalsContact O-CA 3.28Å; C284-T467 WeakPolarHBondContact O-CA 3.41Å; L286-T467 HydrophobicContact CB-CG2 4.5Å; L286-T467 HydrophobicContact CD1-CG2 4.36Å; L286-T467 HydrophobicContact CD2-CG2 3.33Å; L286-T467 HydrophobicContact CG-CG2 3.41Å; L286-T467 VanDerWaalsContact CG-CG2 3.41Å; K343-T467 WeakPolarHBondContact CE-OG1 3.23Å; T467-T470 WeakPolarHBondContact CB-OG1 3.49Å; T467-T470 HydrophobicContact CG2-CG2 3.49Å; T467-T470 VanDerWaalsContact CG2-CG2 3.49Å; T467-T470 PolarHBondContact O-OG1 3.04Å; T467-E472 PolarHBondContact N-OE2 3.46Å; T467-E472 PolarHBondContact OG1-OE2 3.18Å
468	S	82.3	Confident	86.3	Confident	7 Å²	7	13.9 Å²	13.9	5%	0.049	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	144.9	177	-48.3	0	0	0	0	112.9	C284 T470 N516 D651	C284-S468 PolarHBondContact O-N 3.31Å; S468-T470 WeakPolarHBondContact O-CG2 3.45Å; S468-T470 PolarHBondContact O-N 3.05Å; S468-T470 VanDerWaalsContact O-N 3.13Å; S468-N516 WeakPolarHBondContact CB-ND2 3.34Å; S468-N516 PolarHBondContact OG-ND2 2.94Å; S468-D651 VanDerWaalsContact CB-OD2 3.3Å; S468-D651 WeakPolarHBondContact CB-OD2 2.97Å; S468-D651 WeakPolarHBondContact OG-CB 3.32Å; S468-D651 PolarHBondContact OG-OD2 3.03Å
469	S	77.7	Confident	86.1	Confident	13 Å²	13	8.9 Å²	8.9	9%	0.091	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	19.2	173.4	-61.5	0	0	0	0	115	E473 F510 I511	S469-E473 PolarHBondContact N-OE2 3.02Å; S469-F510 WeakPolarHBondContact O-CD2 3.19Å; S469-I511 WeakPolarHBondContact CB-O 3.43Å; S469-I511 PolarHBondContact OG-O 2.69Å
470	T	85.7	Confident	85.7	Confident	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.026	C	C	.	.	S	Bend	trans	-117.3	176.1	-179.3	66.6	0	0	0	0	112.4	L286 Y294 T467 S468 E472 E473 K474 F510	L286-T470 HydrophobicContact CD1-CG2 3.57Å; L286-T470 HydrophobicContact CD2-CG2 4.42Å; L286-T470 HydrophobicContact CG-CG2 3.97Å; Y294-T470 HydrophobicContact CD2-CG2 4.36Å; Y294-T470 HydrophobicContact CE2-CG2 3.86Å; T467-T470 WeakPolarHBondContact CB-OG1 3.49Å; T467-T470 HydrophobicContact CG2-CG2 3.49Å; T467-T470 VanDerWaalsContact CG2-CG2 3.49Å; T467-T470 PolarHBondContact O-OG1 3.04Å; S468-T470 WeakPolarHBondContact O-CG2 3.45Å; S468-T470 PolarHBondContact O-N 3.05Å; S468-T470 VanDerWaalsContact O-N 3.13Å; T470-E472 PolarHBondContact O-N 2.99Å; T470-E472 VanDerWaalsContact O-N 3.11Å; T470-E472 PolarHBondContact OG1-N 2.76Å; T470-E473 PolarHBondContact O-N 2.98Å; T470-E473 VanDerWaalsContact O-N 3.13Å; T470-K474 PolarHBondContact O-N 3.44Å; T470-F510 HydrophobicContact CG2-CE2 4.5Å
471	V	84.3	Confident	84.8	Confident	0 Å²	0	7.5 Å²	7.5	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-53.5	-27.7	171.2	71.5	0	0	0	0	113.7	Y294 L317 L320 R321 K474 I475 L507	Y294-V471 PolarHBondContact OH-N 2.71Å; L317-V471 HydrophobicContact CD2-CG2 3.34Å; L320-V471 HydrophobicContact CB-CG1 3.8Å; L320-V471 HydrophobicContact CD1-CB 4.49Å; R321-V471 HydrophobicContact CG-CG1 4.31Å; V471-K474 PolarHBondContact O-N 3.29Å; V471-I475 HydrophobicContact CG2-CD1 4.3Å; V471-I475 VanDerWaalsContact O-CG1 3.23Å; V471-I475 WeakPolarHBondContact O-CG1 3.35Å; V471-I475 PolarHBondContact O-N 3.01Å; V471-L507 HydrophobicContact CG2-CD1 4.47Å; V471-L507 HydrophobicContact CG2-CG 3.98Å
472	E	86	Confident	84	Confident	3 Å²	3	9.8 Å²	9.8	1%	0.014	4%	0.044	C	C	.	.	H	α-helix	trans	-67.5	-39.2	178.1	-69.3	-165.5	153.8	0	0	113	C324 K343 I466 T467 T470 K474 I475 Y476	C324-E472 HydrophobicContact CB-CG 4.09Å; K343-E472 WeakPolarHBondContact CE-OE2 3.33Å; K343-E472 IonicContact NZ-OE1 3.04Å; K343-E472 PolarHBondContact NZ-OE1 3.35Å; K343-E472 IonicContact NZ-OE2 3.9Å; K343-E472 PolarHBondContact NZ-OE2 2.95Å; I466-E472 HydrophobicContact CG2-CB 4.21Å; T467-E472 PolarHBondContact N-OE2 3.46Å; T467-E472 PolarHBondContact OG1-OE2 3.18Å; T470-E472 PolarHBondContact O-N 2.99Å; T470-E472 VanDerWaalsContact O-N 3.11Å; T470-E472 PolarHBondContact OG1-N 2.76Å; E472-K474 VanDerWaalsContact C-N 3.26Å; E472-K474 PolarHBondContact O-N 2.86Å; E472-I475 WeakPolarHBondContact O-CB 3.43Å; E472-I475 PolarHBondContact O-N 3.01Å; E472-Y476 PolarHBondContact O-N 2.92Å
473	E	84.6	Confident	83.3	Confident	1 Å²	1	11.4 Å²	11.4	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-60.8	-41.1	174.4	-177	166	-167.2	0	0	110.3	F283 I466 S469 T470 I475 Y476 H477 N516 E517 T518	F283-E473 HydrophobicContact CE1-CG 4.31Å; I466-E473 HydrophobicContact CG2-CB 4.38Å; S469-E473 PolarHBondContact N-OE2 3.02Å; T470-E473 PolarHBondContact O-N 2.98Å; T470-E473 VanDerWaalsContact O-N 3.13Å; E473-I475 PolarHBondContact O-N 3Å; E473-Y476 WeakPolarHBondContact O-CB 3.25Å; E473-Y476 PolarHBondContact O-N 2.89Å; E473-H477 PolarHBondContact O-CD2 3.29Å; E473-H477 PolarHBondContact O-N 2.89Å; E473-H477 IonicContact OE1-NE2 2.62Å; E473-N516 WeakPolarHBondContact OE1-CB 3.47Å; E473-E517 PolarHBondContact OE1-N 3.05Å; E473-E517 VanDerWaalsContact OE1-N 3.1Å; E473-T518 WeakPolarHBondContact CG-OG1 3.49Å; E473-T518 WeakPolarHBondContact OE1-CB 3.47Å; E473-T518 PolarHBondContact OE1-N 2.77Å; E473-T518 PolarHBondContact OE1-OG1 2.72Å
474	K	81.6	Confident	82.5	Confident	4 Å²	4	12 Å²	12	2%	0.017	5%	0.054	C	C	.	.	H	α-helix	trans	-67.3	-36.3	176.6	-63.5	176	178.5	166.1	0	112.7	T470 V471 E472 Y476 H477 R478 D506 L507 S509	T470-K474 PolarHBondContact O-N 3.44Å; V471-K474 PolarHBondContact O-N 3.29Å; E472-K474 VanDerWaalsContact C-N 3.26Å; E472-K474 PolarHBondContact O-N 2.86Å; K474-Y476 VanDerWaalsContact C-N 3.33Å; K474-H477 PolarHBondContact O-N 2.81Å; K474-R478 WeakPolarHBondContact O-CG 3.35Å; K474-R478 PolarHBondContact O-N 3.39Å; K474-D506 WeakPolarHBondContact CD-O 3.36Å; K474-D506 WeakPolarHBondContact CE-O 3.46Å; K474-D506 PolarHBondContact NZ-O 2.91Å; K474-D506 IonicContact NZ-OD1 3.62Å; K474-D506 PolarHBondContact NZ-OD1 3.23Å; K474-L507 HydrophobicContact CB-CD1 4Å; K474-S509 PolarHBondContact NZ-O 3.35Å; K474-S509 PolarHBondContact NZ-OG 3.29Å
475	I	83.5	Confident	81.4	Confident	3 Å²	3	13.1 Å²	13.1	2%	0.015	6%	0.06	C	C	.	.	H	α-helix	trans	-62.4	-43.7	171.8	-69.3	165.1	0	0	0	110.2	R321 W439 V471 E472 E473 R478 Q479	R321-I475 HydrophobicContact CG-CD1 4.23Å; W439-I475 HydrophobicContact CD2-CD1 4.45Å; W439-I475 HydrophobicContact CD2-CG1 4.13Å; W439-I475 HydrophobicContact CD2-CG2 4.09Å; W439-I475 HydrophobicContact CE3-CG1 4.06Å; W439-I475 HydrophobicContact CE3-CG2 4.11Å; W439-I475 HydrophobicContact CG-CG2 4.44Å; W439-I475 HydrophobicContact CH2-CD1 4.04Å; W439-I475 HydrophobicContact CH2-CG1 3.43Å; W439-I475 VanDerWaalsContact CH2-CG1 3.43Å; W439-I475 HydrophobicContact CZ2-CD1 3.52Å; W439-I475 HydrophobicContact CZ2-CG1 3.46Å; W439-I475 VanDerWaalsContact CZ2-CG1 3.46Å; W439-I475 HydrophobicContact CZ3-CB 4.46Å; W439-I475 HydrophobicContact CZ3-CG1 3.71Å; V471-I475 HydrophobicContact CG2-CD1 4.3Å; V471-I475 VanDerWaalsContact O-CG1 3.23Å; V471-I475 WeakPolarHBondContact O-CG1 3.35Å; V471-I475 PolarHBondContact O-N 3.01Å; E472-I475 WeakPolarHBondContact O-CB 3.43Å; E472-I475 PolarHBondContact O-N 3.01Å; E473-I475 PolarHBondContact O-N 3Å; I475-R478 WeakPolarHBondContact O-CB 3.22Å; I475-R478 PolarHBondContact O-N 3.23Å; I475-R478 VanDerWaalsContact O-N 3.15Å; I475-Q479 PolarHBondContact O-N 3.06Å
476	Y	86.5	Confident	80.4	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.7	-41.5	178.5	178.1	-113.4	0	0	0	112.7	V281 F283 I466 E472 E473 K474 R478 Q479 I480 T518 H656	V281-Y476 HydrophobicContact CG1-CE1 4.38Å; V281-Y476 HydrophobicContact CG2-CE2 4.14Å; V281-Y476 VanDerWaalsContact CG2-OH 3.31Å; V281-Y476 WeakPolarHBondContact CG2-OH 3.3Å; F283-Y476 HydrophobicContact CZ-CE1 4.47Å; I466-Y476 HydrophobicContact CD1-CD1 3.7Å; I466-Y476 HydrophobicContact CD1-CD2 3.39Å; I466-Y476 HydrophobicContact CD1-CE1 4.17Å; I466-Y476 HydrophobicContact CD1-CE2 3.92Å; I466-Y476 HydrophobicContact CD1-CG 3.28Å; E472-Y476 PolarHBondContact O-N 2.92Å; E473-Y476 WeakPolarHBondContact O-CB 3.25Å; E473-Y476 PolarHBondContact O-N 2.89Å; K474-Y476 VanDerWaalsContact C-N 3.33Å; Y476-R478 PolarHBondContact O-N 3.39Å; Y476-Q479 WeakPolarHBondContact O-CB 3.4Å; Y476-Q479 PolarHBondContact O-N 3.49Å; Y476-I480 HydrophobicContact CD1-CD1 3.76Å; Y476-I480 HydrophobicContact CE1-CD1 3.29Å; Y476-I480 HydrophobicContact CE1-CG1 4.22Å; Y476-I480 HydrophobicContact CE2-CD1 4.14Å; Y476-I480 HydrophobicContact CE2-CG1 4.19Å; Y476-I480 HydrophobicContact CG-CD1 4.36Å; Y476-I480 VanDerWaalsContact CZ-CD1 3.49Å; Y476-I480 PolarHBondContact O-N 2.9Å; Y476-T518 HydrophobicContact CE1-CG2 4.23Å; Y476-H656 AromaticContact CE2-CE1 3.8Å; Y476-H656 AromaticContact CE2-ND1 3.77Å; Y476-H656 AromaticContact CZ-ND1 3.72Å; Y476-H656 PolarHBondContact OH-ND1 3.32Å
477	H	80.3	Confident	79.7	Confident	4 Å²	4	13.5 Å²	13.5	2%	0.019	6%	0.062	C	C	.	.	H	α-helix	trans	-55.4	-40.5	170.6	-75	-60.1	0	0	0	112.7	E473 K474 I480 F481 F498 T518 L521	E473-H477 PolarHBondContact O-CD2 3.29Å; E473-H477 PolarHBondContact O-N 2.89Å; E473-H477 IonicContact OE1-NE2 2.62Å; K474-H477 PolarHBondContact O-N 2.81Å; H477-I480 PolarHBondContact O-N 2.75Å; H477-F481 PolarHBondContact O-N 2.98Å; H477-F481 VanDerWaalsContact O-N 3.07Å; H477-F498 HydrophobicContact CB-CE1 4.46Å; H477-F498 AromaticContact ND1-CE1 3.86Å; H477-F498 AromaticContact ND1-CZ 3.82Å; H477-T518 PolarHBondContact CE1-OG1 2.87Å; H477-T518 VanDerWaalsContact CE1-OG1 3.23Å; H477-T518 PolarHBondContact NE2-OG1 2.93Å; H477-T518 VanDerWaalsContact NE2-OG1 3.14Å; H477-L521 WeakPolarHBondContact CE1-CD1 3.32Å
478	R	79	Confident	78.7	Confident	69 Å²	69	14.7 Å²	14.7	26%	0.26	7%	0.066	S	C	.	.	H	α-helix	trans	-68.4	-37	175.2	-71	172.3	174.1	-170.7	1.3	112.4	W439 K474 I475 Y476 F481 K482	W439-R478 VanDerWaalsContact CZ3-NH1 3.26Å; K474-R478 WeakPolarHBondContact O-CG 3.35Å; K474-R478 PolarHBondContact O-N 3.39Å; I475-R478 WeakPolarHBondContact O-CB 3.22Å; I475-R478 PolarHBondContact O-N 3.23Å; I475-R478 VanDerWaalsContact O-N 3.15Å; Y476-R478 PolarHBondContact O-N 3.39Å; R478-F481 PolarHBondContact O-N 3.3Å; R478-K482 WeakPolarHBondContact O-CG 3.12Å; R478-K482 PolarHBondContact O-N 3.47Å
479	Q	82.5	Confident	78	Confident	3 Å²	3	14.4 Å²	14.4	1%	0.014	6%	0.064	C	C	.	.	H	α-helix	trans	-59.9	-49.2	173.8	-72.6	-169.8	-43.6	0	0	111	D438 P441 D444 I475 Y476 F481 K482 Q483	D438-Q479 PolarHBondContact O-NE2 2.94Å; P441-Q479 HydrophobicContact CB-CB 4.17Å; P441-Q479 HydrophobicContact CB-CG 4.42Å; P441-Q479 HydrophobicContact CG-CB 4.48Å; D444-Q479 PolarHBondContact OD2-NE2 3.32Å; I475-Q479 PolarHBondContact O-N 3.06Å; Y476-Q479 WeakPolarHBondContact O-CB 3.4Å; Y476-Q479 PolarHBondContact O-N 3.49Å; Q479-F481 VanDerWaalsContact C-N 3.34Å; Q479-F481 PolarHBondContact O-N 2.98Å; Q479-K482 PolarHBondContact O-N 3.04Å; Q479-Q483 PolarHBondContact O-N 3.17Å
480	I	79.2	Confident	77.6	Confident	1 Å²	1	15.1 Å²	15.1	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-58	-47	178.3	-69.5	163.4	0	0	0	110.6	Y476 H477 K482 Q483 F484 F522 I659	Y476-I480 HydrophobicContact CD1-CD1 3.76Å; Y476-I480 HydrophobicContact CE1-CD1 3.29Å; Y476-I480 HydrophobicContact CE1-CG1 4.22Å; Y476-I480 HydrophobicContact CE2-CD1 4.14Å; Y476-I480 HydrophobicContact CE2-CG1 4.19Å; Y476-I480 HydrophobicContact CG-CD1 4.36Å; Y476-I480 VanDerWaalsContact CZ-CD1 3.49Å; Y476-I480 PolarHBondContact O-N 2.9Å; H477-I480 PolarHBondContact O-N 2.75Å; I480-K482 PolarHBondContact O-N 2.85Å; I480-Q483 WeakPolarHBondContact O-CB 3.49Å; I480-Q483 PolarHBondContact O-N 3.13Å; I480-Q483 VanDerWaalsContact O-N 3.14Å; I480-F484 HydrophobicContact CG2-CD2 3.61Å; I480-F484 HydrophobicContact CG2-CE2 3.13Å; I480-F484 HydrophobicContact CG2-CZ 3.69Å; I480-F484 WeakPolarHBondContact O-CD2 3.34Å; I480-F484 PolarHBondContact O-N 3.46Å; I480-F522 HydrophobicContact CD1-CE2 4.12Å; I480-F522 HydrophobicContact CD1-CZ 4.29Å; I480-F522 HydrophobicContact CG2-CZ 4.32Å; I480-I659 HydrophobicContact CD1-CG2 3.88Å; I480-I659 HydrophobicContact CG1-CG2 4.25Å; I480-I659 HydrophobicContact CG2-CG2 4.12Å
481	F	72.4	Confident	76.7	Confident	37 Å²	37	19.2 Å²	19.2	16%	0.162	9%	0.085	C	C	.	.	H	α-helix	trans	-59.4	-45.4	178.4	175.8	-102.5	0	0	0	113.1	H477 R478 Q479 Q483 F484 L485 F498 L499	H477-F481 PolarHBondContact O-N 2.98Å; H477-F481 VanDerWaalsContact O-N 3.07Å; R478-F481 PolarHBondContact O-N 3.3Å; Q479-F481 VanDerWaalsContact C-N 3.34Å; Q479-F481 PolarHBondContact O-N 2.98Å; F481-Q483 VanDerWaalsContact C-N 3.27Å; F481-Q483 PolarHBondContact O-N 3.14Å; F481-F484 WeakPolarHBondContact O-CB 3.36Å; F481-F484 PolarHBondContact O-N 3.11Å; F481-L485 HydrophobicContact CZ-CD1 4.48Å; F481-L485 PolarHBondContact O-N 3.46Å; F481-F498 HydrophobicContact CD2-CB 4.34Å; F481-F498 WeakPolarHBondContact CE2-O 3.41Å; F481-L499 HydrophobicContact CB-CD1 3.49Å; F481-L499 VanDerWaalsContact CB-CD1 3.49Å; F481-L499 HydrophobicContact CD1-CD1 4.03Å; F481-L499 HydrophobicContact CD2-CB 4.43Å; F481-L499 HydrophobicContact CD2-CD1 3.73Å; F481-L499 HydrophobicContact CD2-CG 4.49Å; F481-L499 HydrophobicContact CE2-CD1 4.43Å; F481-L499 HydrophobicContact CG-CD1 3.48Å; F481-L499 VanDerWaalsContact CG-CD1 3.48Å
482	K	75.1	Confident	75.8	Confident	55 Å²	55	22.5 Å²	22.5	24%	0.239	10%	0.102	C	C	.	.	H	α-helix	trans	-59.8	-42.4	176	-73.7	168.9	167.1	-164	0	111	N198 W439 P441 R478 Q479 I480 F484 L485 I486	N198-K482 VanDerWaalsContact OD1-CD 3.27Å; N198-K482 WeakPolarHBondContact OD1-CD 3.4Å; N198-K482 VanDerWaalsContact OD1-CE 3.29Å; N198-K482 WeakPolarHBondContact OD1-CE 3.25Å; N198-K482 PolarHBondContact OD1-NZ 3.32Å; W439-K482 PolarHBondContact O-NZ 3.32Å; P441-K482 HydrophobicContact CG-CB 4.32Å; R478-K482 WeakPolarHBondContact O-CG 3.12Å; R478-K482 PolarHBondContact O-N 3.47Å; Q479-K482 PolarHBondContact O-N 3.04Å; I480-K482 PolarHBondContact O-N 2.85Å; K482-F484 VanDerWaalsContact C-N 3.34Å; K482-F484 PolarHBondContact O-N 3.42Å; K482-L485 PolarHBondContact O-N 2.97Å; K482-I486 WeakPolarHBondContact O-CD1 3.18Å; K482-I486 VanDerWaalsContact O-CG1 3.25Å; K482-I486 WeakPolarHBondContact O-CG1 3.46Å; K482-I486 PolarHBondContact O-N 2.63Å; K482-I486 VanDerWaalsContact O-N 3.13Å
483	Q	77.2	Confident	74.5	Confident	33 Å²	33	23 Å²	23	15%	0.154	11%	0.106	C	C	.	.	H	α-helix	trans	-63.3	-40	176.9	-165.9	59.1	52.8	0	0	111.9	Q479 I480 F481 I486 N487 I660	Q479-Q483 PolarHBondContact O-N 3.17Å; I480-Q483 WeakPolarHBondContact O-CB 3.49Å; I480-Q483 PolarHBondContact O-N 3.13Å; I480-Q483 VanDerWaalsContact O-N 3.14Å; F481-Q483 VanDerWaalsContact C-N 3.27Å; F481-Q483 PolarHBondContact O-N 3.14Å; Q483-I486 PolarHBondContact O-N 3.4Å; Q483-N487 PolarHBondContact NE2-OD1 3.07Å; Q483-N487 WeakPolarHBondContact O-CB 3.31Å; Q483-N487 VanDerWaalsContact O-CG 3.31Å; Q483-N487 PolarHBondContact O-N 2.77Å; Q483-I660 HydrophobicContact CG-CD1 4.36Å
484	F	73	Confident	73.1	Confident	13 Å²	13	28.1 Å²	28.1	6%	0.057	13%	0.125	C	C	.	.	H	α-helix	trans	-62.5	-43.8	174.2	-73.1	-43.6	0	0	0	112.8	I480 F481 K482 I486 N487 R488 Q495 F498 I659 I660	I480-F484 HydrophobicContact CG2-CD2 3.61Å; I480-F484 HydrophobicContact CG2-CE2 3.13Å; I480-F484 HydrophobicContact CG2-CZ 3.69Å; I480-F484 WeakPolarHBondContact O-CD2 3.34Å; I480-F484 PolarHBondContact O-N 3.46Å; F481-F484 WeakPolarHBondContact O-CB 3.36Å; F481-F484 PolarHBondContact O-N 3.11Å; K482-F484 VanDerWaalsContact C-N 3.34Å; K482-F484 PolarHBondContact O-N 3.42Å; F484-I486 VanDerWaalsContact C-N 3.27Å; F484-I486 PolarHBondContact O-N 3.47Å; F484-N487 PolarHBondContact O-N 2.93Å; F484-R488 WeakPolarHBondContact O-CB 3.48Å; F484-R488 PolarHBondContact O-N 3.14Å; F484-Q495 HydrophobicContact CB-CG 4.24Å; F484-Q495 HydrophobicContact CD1-CG 3.53Å; F484-Q495 HydrophobicContact CE1-CG 4.22Å; F484-Q495 HydrophobicContact CG-CG 4.2Å; F484-F498 HydrophobicContact CD2-CB 3.91Å; F484-F498 HydrophobicContact CD2-CG 4.31Å; F484-F498 HydrophobicContact CE2-CB 4.04Å; F484-F498 HydrophobicContact CE2-CD2 4.17Å; F484-F498 HydrophobicContact CE2-CG 4.05Å; F484-I659 WeakPolarHBondContact CZ-O 3.4Å; F484-I660 WeakPolarHBondContact CE1-O 3.34Å
485	L	69.1	Low	72	Confident	27 Å²	27	29.3 Å²	29.3	14%	0.141	13%	0.131	C	C	.	.	H	α-helix	trans	-60.9	-39.3	178	-169.4	125.8	0	0	0	111.5	F481 K482	F481-L485 HydrophobicContact CZ-CD1 4.48Å; F481-L485 PolarHBondContact O-N 3.46Å; K482-L485 PolarHBondContact O-N 2.97Å
486	I	70.9	Confident	70.6	Confident	6 Å²	6	33.2 Å²	33.2	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-66.4	-47.8	175.2	-63.5	160.9	0	0	0	111	M196 Q197 K482 Q483 F484 R488 V489 L490	M196-I486 HydrophobicContact CB-CG1 4.41Å; M196-I486 HydrophobicContact CB-CG2 4.2Å; M196-I486 HydrophobicContact CE-CG2 4.44Å; Q197-I486 WeakPolarHBondContact O-CD1 3.21Å; K482-I486 WeakPolarHBondContact O-CD1 3.18Å; K482-I486 VanDerWaalsContact O-CG1 3.25Å; K482-I486 WeakPolarHBondContact O-CG1 3.46Å; K482-I486 PolarHBondContact O-N 2.63Å; K482-I486 VanDerWaalsContact O-N 3.13Å; Q483-I486 PolarHBondContact O-N 3.4Å; F484-I486 VanDerWaalsContact C-N 3.27Å; F484-I486 PolarHBondContact O-N 3.47Å; I486-R488 VanDerWaalsContact C-N 3.25Å; I486-R488 PolarHBondContact O-N 2.94Å; I486-V489 PolarHBondContact O-N 3.27Å; I486-L490 HydrophobicContact CG2-CD1 3.76Å; I486-L490 HydrophobicContact CG2-CG 4.48Å; I486-L490 PolarHBondContact O-N 2.93Å
487	N	73.9	Confident	69.1	Low	2 Å²	2	39.3 Å²	39.3	1%	0.011	17%	0.174	C	C	.	.	H	α-helix	trans	-63.9	-32.2	-179.5	-73.8	-8.1	0	0	0	111.8	Q483 F484 V489 L490 K491 N492 I660	Q483-N487 PolarHBondContact NE2-OD1 3.07Å; Q483-N487 WeakPolarHBondContact O-CB 3.31Å; Q483-N487 VanDerWaalsContact O-CG 3.31Å; Q483-N487 PolarHBondContact O-N 2.77Å; F484-N487 PolarHBondContact O-N 2.93Å; N487-V489 VanDerWaalsContact C-N 3.3Å; N487-V489 PolarHBondContact O-N 2.86Å; N487-L490 PolarHBondContact O-N 3.29Å; N487-K491 HydrophobicContact CB-CB 4.49Å; N487-K491 CarbonylContact O-C 3.33Å; N487-K491 WeakPolarHBondContact O-CA 3.45Å; N487-K491 WeakPolarHBondContact O-CB 3.3Å; N487-K491 PolarHBondContact O-N 3.01Å; N487-N492 PolarHBondContact O-N 2.94Å; N487-I660 VanDerWaalsContact ND2-CG2 3.28Å; N487-I660 WeakPolarHBondContact ND2-CG2 3.49Å
488	R	67.9	Low	67.7	Low	27 Å²	27	40.2 Å²	40.2	10%	0.102	18%	0.178	C	C	.	.	H	α-helix	trans	-62	-36.2	176.1	-162.9	176.5	-175.7	176.4	0.3	113.1	G232 V242 F484 I486 N492 P493 Q495	G232-R488 PolarHBondContact O-NH1 3.29Å; V242-R488 PolarHBondContact O-NH2 2.78Å; F484-R488 WeakPolarHBondContact O-CB 3.48Å; F484-R488 PolarHBondContact O-N 3.14Å; I486-R488 VanDerWaalsContact C-N 3.25Å; I486-R488 PolarHBondContact O-N 2.94Å; R488-N492 WeakPolarHBondContact CA-O 3.41Å; R488-P493 VanDerWaalsContact O-CA 3.26Å; R488-P493 WeakPolarHBondContact O-CA 3.28Å; R488-Q495 HydrophobicContact CB-CB 4.48Å
489	V	66.9	Low	66.3	Low	2 Å²	2	38.3 Å²	38.3	1%	0.012	17%	0.173	C	C	.	.	H	α-helix	trans	-85.9	-39.5	179.6	179.7	0	0	0	0	111.5	M196 L200 L203 L252 I486 N487	M196-V489 HydrophobicContact CE-CB 3.63Å; M196-V489 HydrophobicContact CE-CG1 3.66Å; M196-V489 HydrophobicContact CE-CG2 4.3Å; L200-V489 HydrophobicContact CD2-CG2 4.05Å; L203-V489 HydrophobicContact CD2-CG1 4.38Å; L252-V489 HydrophobicContact CD2-CG1 4.14Å; I486-V489 PolarHBondContact O-N 3.27Å; N487-V489 VanDerWaalsContact C-N 3.3Å; N487-V489 PolarHBondContact O-N 2.86Å
490	L	70.5	Confident	64.6	Low	28 Å²	28	46.7 Å²	46.7	15%	0.147	21%	0.209	C	C	.	.	H	α-helix	trans	-97.3	-37.2	-169.8	-61.8	179.2	0	0	0	114.7	M196 L260 I486 N487	M196-L490 HydrophobicContact CB-CD1 4.2Å; M196-L490 HydrophobicContact CE-CD1 3.61Å; M196-L490 HydrophobicContact CE-CD2 3.77Å; M196-L490 HydrophobicContact CE-CG 3.42Å; M196-L490 VanDerWaalsContact CE-CG 3.42Å; M196-L490 HydrophobicContact CG-CD1 4.17Å; L260-L490 HydrophobicContact CD2-CD2 3.65Å; I486-L490 HydrophobicContact CG2-CD1 3.76Å; I486-L490 HydrophobicContact CG2-CG 4.48Å; I486-L490 PolarHBondContact O-N 2.93Å; N487-L490 PolarHBondContact O-N 3.29Å
491	K	67.4	Low	62.9	Low	86 Å²	86	49.2 Å²	49.2	37%	0.374	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-72.6	-174.6	-66.4	-167.3	-176.8	-167.8	0	111.7	R253 N487	R253-K491 PolarHBondContact NH1-O 3.28Å; N487-K491 HydrophobicContact CB-CB 4.49Å; N487-K491 CarbonylContact O-C 3.33Å; N487-K491 WeakPolarHBondContact O-CA 3.45Å; N487-K491 WeakPolarHBondContact O-CB 3.3Å; N487-K491 PolarHBondContact O-N 3.01Å
492	N	64.4	Low	61.8	Low	69 Å²	69	49.7 Å²	49.7	37%	0.369	24%	0.24	S	C	.	.			trans	-137.6	115.3	-173.1	-169.4	-11.3	0	0	0	111.1	N487 R488 R494 Q495	N487-N492 PolarHBondContact O-N 2.94Å; R488-N492 WeakPolarHBondContact CA-O 3.41Å; N492-R494 PolarHBondContact O-N 3.25Å; N492-R494 PolarHBondContact OD1-N 3.37Å; N492-Q495 PolarHBondContact O-N 2.87Å
493	P	58.3	Low	60.5	Low	14 Å²	14	52.4 Å²	52.4	9%	0.091	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.5	179.2	25.9	-31.6	0	0	0	114.2	Y246 Q250 R488 Q495	Y246-P493 HydrophobicContact CD2-CB 3.59Å; Y246-P493 HydrophobicContact CD2-CG 4.18Å; Y246-P493 WeakPolarHBondContact CD2-O 2.81Å; Y246-P493 HydrophobicContact CE2-CB 3.49Å; Y246-P493 VanDerWaalsContact CE2-CB 3.49Å; Y246-P493 HydrophobicContact CE2-CG 3.55Å; Q250-P493 HydrophobicContact CG-CB 4.33Å; Q250-P493 HydrophobicContact CG-CG 4.03Å; R488-P493 VanDerWaalsContact O-CA 3.26Å; R488-P493 WeakPolarHBondContact O-CA 3.28Å; P493-Q495 VanDerWaalsContact C-N 3.32Å; P493-Q495 PolarHBondContact O-N 3.36Å
494	R	56	Low	59.3	Low	108 Å²	108	53.5 Å²	53.5	41%	0.408	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	21.4	177.3	-63.8	-168.5	175.7	176.6	-1	115.2	Y246 N492 D665	Y246-R494 HydrophobicContact CD2-CG 4.45Å; Y246-R494 HydrophobicContact CE2-CG 3.62Å; N492-R494 PolarHBondContact O-N 3.25Å; N492-R494 PolarHBondContact OD1-N 3.37Å; R494-D665 IonicContact NH1-OD1 3.5Å; R494-D665 PolarHBondContact NH1-OD1 3.5Å
495	Q	58.4	Low	58.3	Low	28 Å²	28	57.7 Å²	57.7	13%	0.131	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-61.8	141.6	-179.9	-160	75.8	53.2	0	0	113.1	F484 R488 N492 P493 I660 G662	F484-Q495 HydrophobicContact CB-CG 4.24Å; F484-Q495 HydrophobicContact CD1-CG 3.53Å; F484-Q495 HydrophobicContact CE1-CG 4.22Å; F484-Q495 HydrophobicContact CG-CG 4.2Å; R488-Q495 HydrophobicContact CB-CB 4.48Å; N492-Q495 PolarHBondContact O-N 2.87Å; P493-Q495 VanDerWaalsContact C-N 3.32Å; P493-Q495 PolarHBondContact O-N 3.36Å; Q495-I660 PolarHBondContact NE2-O 2.7Å; Q495-G662 PolarHBondContact NE2-O 3Å
496	K	54.1	Low	57.6	Low	86 Å²	86	58.8 Å²	58.8	37%	0.374	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-52.9	147.4	178	-88.3	-179.9	-176.4	-177.4	0	113.9	G662 A663 V664	K496-G662 WeakPolarHBondContact CG-O 3.42Å; K496-G662 PolarHBondContact N-O 3.36Å; K496-A663 WeakPolarHBondContact CE-O 3.34Å; K496-V664 HydrophobicContact CD-CG2 4.41Å; K496-V664 HydrophobicContact CG-CG2 3.49Å; K496-V664 VanDerWaalsContact CG-CG2 3.49Å
497	K	53.9	Low	56.8	Low	127 Å²	127	58.8 Å²	58.8	55%	0.552	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-66.3	139.9	175.5	-58.5	175.3	-174.1	174.6	0	110.1
498	F	52.7	Low	55.8	Low	23 Å²	23	59 Å²	59	10%	0.101	30%	0.295	C	S	.	.			trans	-146.7	148.9	172.3	-149.6	-100.8	0	0	0	112.4	G233 H477 F481 F484 L521 F522	G233-F498 VanDerWaalsContact O-O 3.13Å; H477-F498 HydrophobicContact CB-CE1 4.46Å; H477-F498 AromaticContact ND1-CE1 3.86Å; H477-F498 AromaticContact ND1-CZ 3.82Å; F481-F498 HydrophobicContact CD2-CB 4.34Å; F481-F498 WeakPolarHBondContact CE2-O 3.41Å; F484-F498 HydrophobicContact CD2-CB 3.91Å; F484-F498 HydrophobicContact CD2-CG 4.31Å; F484-F498 HydrophobicContact CE2-CB 4.04Å; F484-F498 HydrophobicContact CE2-CD2 4.17Å; F484-F498 HydrophobicContact CE2-CG 4.05Å; F498-L521 HydrophobicContact CE2-CD2 4.33Å; F498-L521 HydrophobicContact CZ-CB 4.48Å; F498-L521 HydrophobicContact CZ-CD1 4.12Å; F498-L521 HydrophobicContact CZ-CD2 4.35Å; F498-F522 HydrophobicContact CD2-CE1 4.41Å; F498-F522 HydrophobicContact CD2-CZ 4.08Å; F498-F522 HydrophobicContact CE1-CZ 4.45Å; F498-F522 AromaticContact CE2-CE1 3.77Å; F498-F522 HydrophobicContact CE2-CE1 3.77Å; F498-F522 AromaticContact CE2-CE2 3.87Å; F498-F522 HydrophobicContact CE2-CE2 3.87Å; F498-F522 AromaticContact CE2-CZ 3.21Å; F498-F522 HydrophobicContact CE2-CZ 3.21Å; F498-F522 HydrophobicContact CZ-CE1 4.42Å; F498-F522 AromaticContact CZ-CE2 3.72Å; F498-F522 HydrophobicContact CZ-CE2 3.72Å; F498-F522 AromaticContact CZ-CZ 3.44Å; F498-F522 HydrophobicContact CZ-CZ 3.44Å; F498-F522 VanDerWaalsContact CZ-CZ 3.44Å
499	L	49.2	Very low	55.2	Low	29 Å²	29	59.2 Å²	59.2	15%	0.152	30%	0.301	C	S	.	.			trans	77.3	114.8	-176.8	-81.6	155.4	0	0	0	118	A235 F481 L502	A235-L499 VanDerWaalsContact CB-C 3.46Å; A235-L499 WeakPolarHBondContact CB-O 3.27Å; A235-L499 PolarHBondContact N-O 2.79Å; F481-L499 HydrophobicContact CB-CD1 3.49Å; F481-L499 VanDerWaalsContact CB-CD1 3.49Å; F481-L499 HydrophobicContact CD1-CD1 4.03Å; F481-L499 HydrophobicContact CD2-CB 4.43Å; F481-L499 HydrophobicContact CD2-CD1 3.73Å; F481-L499 HydrophobicContact CD2-CG 4.49Å; F481-L499 HydrophobicContact CE2-CD1 4.43Å; F481-L499 HydrophobicContact CG-CD1 3.48Å; F481-L499 VanDerWaalsContact CG-CD1 3.48Å; L499-L502 HydrophobicContact CD2-CB 4.39Å; L499-L502 HydrophobicContact CD2-CD1 3.3Å; L499-L502 HydrophobicContact CD2-CG 3.48Å; L499-L502 VanDerWaalsContact CD2-CG 3.48Å
500	K	46	Very low	54.5	Low	179 Å²	179	61.1 Å²	61.1	78%	0.778	31%	0.31	S	S	*	.			trans	-58.4	137.1	138	-81.4	179.1	176.3	176.4	0	106.4	L502	K500-L502 PolarHBondContact O-N 2.99Å
501	G	43	Very low	53.8	Low	55 Å²	55	63.9 Å²	63.9	57%	0.567	32%	0.323	S	S	*	.			trans	-54.7	108.2	172.3	0	0	0	0	0	109.2	N503	G501-N503 PolarHBondContact O-N 3.49Å
502	L	49.2	Very low	53.1	Low	47 Å²	47	63.8 Å²	63.8	25%	0.246	33%	0.327	C	S	.	.			trans	-81.9	113.8	177.6	-64	170.2	0	0	0	107.2	L499 K500 D506	L499-L502 HydrophobicContact CD2-CB 4.39Å; L499-L502 HydrophobicContact CD2-CD1 3.3Å; L499-L502 HydrophobicContact CD2-CG 3.48Å; L499-L502 VanDerWaalsContact CD2-CG 3.48Å; K500-L502 PolarHBondContact O-N 2.99Å; L502-D506 HydrophobicContact CB-CB 4.38Å; L502-D506 HydrophobicContact CD2-CB 4.39Å; L502-D506 WeakPolarHBondContact CD2-OD2 3Å
503	N	49.6	Very low	52.4	Low	112 Å²	112	63.6 Å²	63.6	60%	0.599	33%	0.328	S	S	*	.			trans	-67.8	162.6	174.1	-76.2	-11.5	0	0	0	110.9	G501 D505 D506	G501-N503 PolarHBondContact O-N 3.49Å; N503-D505 PolarHBondContact O-N 3.36Å; N503-D506 WeakPolarHBondContact O-CB 3.24Å; N503-D506 PolarHBondContact O-N 2.99Å
504	V	51.2	Low	52	Low	55 Å²	55	74.3 Å²	74.3	33%	0.333	37%	0.367	S	S	.	.	H	α-helix	trans	-56.5	-36.8	177.5	-177.4	0	0	0	0	111.1	I313 D506 L507 F508	I313-V504 HydrophobicContact CD1-CG1 3.77Å; I313-V504 HydrophobicContact CD1-CG2 4.34Å; I313-V504 HydrophobicContact CG1-CG1 4.26Å; V504-D506 PolarHBondContact O-N 3.42Å; V504-L507 WeakPolarHBondContact O-CB 3.39Å; V504-L507 PolarHBondContact O-N 3.1Å; V504-F508 HydrophobicContact CG1-CD2 4.47Å; V504-F508 HydrophobicContact CG1-CE2 4.22Å
505	D	51.6	Low	51.7	Low	101 Å²	101	72.5 Å²	72.5	54%	0.54	37%	0.37	S	S	.	.	H	α-helix	trans	-56.2	-36.6	175.7	-48.7	-37.9	0	0	0	112	N503 L507 F508 S509	N503-D505 PolarHBondContact O-N 3.36Å; D505-L507 PolarHBondContact O-N 2.84Å; D505-F508 PolarHBondContact O-N 3.39Å; D505-S509 PolarHBondContact O-N 3.39Å
506	D	55.4	Low	51.7	Low	50 Å²	50	71.1 Å²	71.1	27%	0.267	36%	0.364	S	S	.	.	H	α-helix	trans	-69.7	-24.4	178.9	-147.9	-3.5	0	0	0	111.1	K474 L502 N503 V504 F508 S509	K474-D506 WeakPolarHBondContact CD-O 3.36Å; K474-D506 WeakPolarHBondContact CE-O 3.46Å; K474-D506 PolarHBondContact NZ-O 2.91Å; K474-D506 IonicContact NZ-OD1 3.62Å; K474-D506 PolarHBondContact NZ-OD1 3.23Å; L502-D506 HydrophobicContact CB-CB 4.38Å; L502-D506 HydrophobicContact CD2-CB 4.39Å; L502-D506 WeakPolarHBondContact CD2-OD2 3Å; N503-D506 WeakPolarHBondContact O-CB 3.24Å; N503-D506 PolarHBondContact O-N 2.99Å; V504-D506 PolarHBondContact O-N 3.42Å; D506-F508 PolarHBondContact O-N 3.41Å; D506-S509 PolarHBondContact O-N 2.99Å; D506-S509 PolarHBondContact O-OG 2.92Å; D506-S509 VanDerWaalsContact O-OG 3.06Å; D506-S509 PolarHBondContact OD1-OG 3.38Å
507	L	52.5	Low	51.9	Low	6 Å²	6	69.4 Å²	69.4	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-67.9	-25.8	176.7	-142	67.3	0	0	0	112.8	L317 W439 V471 K474 V504 D505	L317-L507 HydrophobicContact CD1-CD2 3.87Å; L317-L507 HydrophobicContact CD2-CD2 3.51Å; L317-L507 HydrophobicContact CD2-CG 3.99Å; L317-L507 HydrophobicContact CG-CD2 4.21Å; W439-L507 HydrophobicContact CH2-CD2 4.33Å; V471-L507 HydrophobicContact CG2-CD1 4.47Å; V471-L507 HydrophobicContact CG2-CG 3.98Å; K474-L507 HydrophobicContact CB-CD1 4Å; V504-L507 WeakPolarHBondContact O-CB 3.39Å; V504-L507 PolarHBondContact O-N 3.1Å; D505-L507 PolarHBondContact O-N 2.84Å
508	F	54.5	Low	52.2	Low	6 Å²	6	63.4 Å²	63.4	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-106.7	2.9	-177.9	-65.6	-79.8	0	0	0	113.5	I306 L307 I313 L317 L320 V504 D505 D506	I306-F508 HydrophobicContact CG2-CE2 4.01Å; I306-F508 HydrophobicContact CG2-CZ 3.8Å; L307-F508 HydrophobicContact CD2-CB 4.34Å; L307-F508 HydrophobicContact CD2-CD2 3.79Å; L307-F508 HydrophobicContact CD2-CG 4.33Å; I313-F508 HydrophobicContact CG2-CE2 3.97Å; I313-F508 HydrophobicContact CG2-CZ 4Å; L317-F508 HydrophobicContact CD2-CZ 4.41Å; L317-F508 HydrophobicContact CG-CZ 4.37Å; L320-F508 HydrophobicContact CD1-CD1 3.78Å; L320-F508 HydrophobicContact CD1-CE1 3.91Å; V504-F508 HydrophobicContact CG1-CD2 4.47Å; V504-F508 HydrophobicContact CG1-CE2 4.22Å; D505-F508 PolarHBondContact O-N 3.39Å; D506-F508 PolarHBondContact O-N 3.41Å
509	S	55.1	Low	52.4	Low	33 Å²	33	64.2 Å²	64.2	23%	0.231	34%	0.335	C	S	.	.			trans	-77.7	132.9	172.1	71.7	0	0	0	0	110.8	K474 D505 D506	K474-S509 PolarHBondContact NZ-O 3.35Å; K474-S509 PolarHBondContact NZ-OG 3.29Å; D505-S509 PolarHBondContact O-N 3.39Å; D506-S509 PolarHBondContact O-N 2.99Å; D506-S509 PolarHBondContact O-OG 2.92Å; D506-S509 VanDerWaalsContact O-OG 3.06Å; D506-S509 PolarHBondContact OD1-OG 3.38Å
510	F	52	Low	52.8	Low	42 Å²	42	65.3 Å²	65.3	18%	0.184	35%	0.348	C	S	.	.			trans	-116	117.6	171.8	179.6	-102.4	0	0	0	108.7	L286 K291 Y294 R295 S469 T470 D512	L286-F510 HydrophobicContact CD1-CE2 4.25Å; K291-F510 HydrophobicContact CG-CZ 4.42Å; Y294-F510 HydrophobicContact CD1-CB 4.06Å; Y294-F510 AromaticContact CD1-CD2 3.95Å; Y294-F510 HydrophobicContact CD1-CD2 3.95Å; Y294-F510 HydrophobicContact CD1-CG 4.05Å; Y294-F510 HydrophobicContact CE1-CB 3.77Å; Y294-F510 AromaticContact CE1-CD2 3.89Å; Y294-F510 HydrophobicContact CE1-CD2 3.89Å; Y294-F510 HydrophobicContact CE1-CG 4.09Å; R295-F510 HydrophobicContact CG-CD1 4.42Å; S469-F510 WeakPolarHBondContact O-CD2 3.19Å; T470-F510 HydrophobicContact CG2-CE2 4.5Å; F510-D512 HydrophobicContact CE1-CB 3.79Å; F510-D512 HydrophobicContact CZ-CB 4.27Å
511	I	56.1	Low	53.3	Low	85 Å²	85	61.3 Å²	61.3	44%	0.436	34%	0.335	S	S	.	.			trans	-116.5	110.2	177.5	-58.1	173.5	0	0	0	107.5	S469 T513	S469-I511 WeakPolarHBondContact CB-O 3.43Å; S469-I511 PolarHBondContact OG-O 2.69Å; I511-T513 HydrophobicContact CG2-CG2 3.64Å; I511-T513 PolarHBondContact O-N 3.24Å
512	D	52.2	Low	54.1	Low	85 Å²	85	60 Å²	60	46%	0.455	31%	0.313	S	S	.	.			trans	-79	65.5	178.6	-153.9	-9.6	0	0	0	110.2	K291 R295 F510	K291-D512 IonicContact NZ-OD1 3.3Å; R295-D512 IonicContact CZ-OD2 2.77Å; R295-D512 IonicContact NH2-OD2 3.97Å; R295-D512 PolarHBondContact NH2-OD2 2.86Å; F510-D512 HydrophobicContact CE1-CB 3.79Å; F510-D512 HydrophobicContact CZ-CB 4.27Å
513	T	50.2	Low	54.3	Low	64 Å²	64	67.6 Å²	67.6	39%	0.393	34%	0.339	S	S	.	.			trans	-94.2	140.8	173.5	37.7	0	0	0	0	110.7	I511 C515	I511-T513 HydrophobicContact CG2-CG2 3.64Å; I511-T513 PolarHBondContact O-N 3.24Å; T513-C515 PolarHBondContact O-N 3.1Å; T513-C515 PolarHBondContact OG1-O 3.26Å; T513-C515 VanDerWaalsContact OG1-O 3.05Å
514	R	49.2	Very low	54.3	Low	240 Å²	240	68.9 Å²	68.9	91%	0.906	35%	0.346	S	S	*	.	S	Bend	trans	-65.3	-2.3	170.7	-69.7	-170.7	-177.3	-172.3	0.4	114.2
515	C	49.4	Very low	54.2	Low	69 Å²	69	66.8 Å²	66.8	47%	0.466	33%	0.334	S	S	.	.	S	Bend	trans	-128.5	122.9	-179.1	-157.2	0	0	0	0	107.4	T513	T513-C515 PolarHBondContact O-N 3.1Å; T513-C515 PolarHBondContact OG1-O 3.26Å; T513-C515 VanDerWaalsContact OG1-O 3.05Å
516	N	58.3	Low	54.1	Low	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.329	C	S	.	.			trans	-70.4	144.1	-178.3	-33.8	53.2	0	0	0	109.1	F283 S468 E473 T518 Q519 A520 D651 S652	F283-N516 VanDerWaalsContact CB-ND2 3.34Å; F283-N516 WeakPolarHBondContact CB-ND2 3.38Å; F283-N516 WeakPolarHBondContact CG-ND2 3.46Å; S468-N516 WeakPolarHBondContact CB-ND2 3.34Å; S468-N516 PolarHBondContact OG-ND2 2.94Å; E473-N516 WeakPolarHBondContact OE1-CB 3.47Å; N516-T518 PolarHBondContact O-N 3.03Å; N516-Q519 HydrophobicContact CB-CG 4.31Å; N516-Q519 PolarHBondContact O-N 3.38Å; N516-Q519 VanDerWaalsContact O-N 3.11Å; N516-Q519 PolarHBondContact OD1-OE1 3.19Å; N516-A520 PolarHBondContact O-N 2.89Å; N516-A520 VanDerWaalsContact O-N 3.14Å; N516-D651 PolarHBondContact ND2-OD2 3.13Å; N516-D651 PolarHBondContact OD1-OD2 2.84Å; N516-D651 VanDerWaalsContact OD1-OD2 3.09Å; N516-S652 PolarHBondContact ND2-OG 3.1Å; N516-S652 PolarHBondContact OD1-OG 2.89Å
517	E	59	Low	53.9	Low	50 Å²	50	64.3 Å²	64.3	23%	0.234	32%	0.322	C	S	.	.	H	α-helix	trans	-55.8	-36.6	176.4	-69.3	179.2	-177.8	0	0	110.9	E473 A520 L521	E473-E517 PolarHBondContact OE1-N 3.05Å; E473-E517 VanDerWaalsContact OE1-N 3.1Å; E517-A520 PolarHBondContact O-N 3.31Å; E517-L521 WeakPolarHBondContact O-CB 3.39Å; E517-L521 WeakPolarHBondContact O-CD1 3.36Å; E517-L521 VanDerWaalsContact O-CG 3.3Å; E517-L521 WeakPolarHBondContact O-CG 3.04Å; E517-L521 PolarHBondContact O-N 3.34Å
518	T	59.5	Low	53.8	Low	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-64.1	-42.3	178	-47.7	0	0	0	0	113	F283 E473 Y476 H477 N516 A520 L521 F522 L654	F283-T518 HydrophobicContact CE2-CG2 4.47Å; F283-T518 HydrophobicContact CZ-CG2 3.74Å; E473-T518 WeakPolarHBondContact CG-OG1 3.49Å; E473-T518 WeakPolarHBondContact OE1-CB 3.47Å; E473-T518 PolarHBondContact OE1-N 2.77Å; E473-T518 PolarHBondContact OE1-OG1 2.72Å; Y476-T518 HydrophobicContact CE1-CG2 4.23Å; H477-T518 PolarHBondContact CE1-OG1 2.87Å; H477-T518 VanDerWaalsContact CE1-OG1 3.23Å; H477-T518 PolarHBondContact NE2-OG1 2.93Å; H477-T518 VanDerWaalsContact NE2-OG1 3.14Å; N516-T518 PolarHBondContact O-N 3.03Å; T518-A520 VanDerWaalsContact C-N 3.31Å; T518-A520 PolarHBondContact O-N 3.36Å; T518-L521 PolarHBondContact O-N 3.38Å; T518-F522 HydrophobicContact CG2-CD2 3.6Å; T518-F522 HydrophobicContact CG2-CE2 3.95Å; T518-F522 WeakPolarHBondContact O-CD2 3.38Å; T518-F522 PolarHBondContact O-N 3.33Å; T518-L654 HydrophobicContact CG2-CD1 3.95Å
519	Q	58.3	Low	53.4	Low	40 Å²	40	65.9 Å²	65.9	19%	0.187	33%	0.33	C	S	.	.	H	α-helix	trans	-66.7	-37.2	175.8	-70.3	-162.2	-49.1	0	0	111.7	N516 L521 R523	N516-Q519 HydrophobicContact CB-CG 4.31Å; N516-Q519 PolarHBondContact O-N 3.38Å; N516-Q519 VanDerWaalsContact O-N 3.11Å; N516-Q519 PolarHBondContact OD1-OE1 3.19Å; Q519-L521 VanDerWaalsContact C-N 3.27Å; Q519-L521 PolarHBondContact O-N 3.23Å; Q519-R523 WeakPolarHBondContact O-CG 3.36Å; Q519-R523 PolarHBondContact O-N 3.26Å
520	A	56.8	Low	53	Low	52 Å²	52	67.6 Å²	67.6	43%	0.43	34%	0.34	S	S	.	.	H	α-helix	trans	-64.9	-34.7	175.6	0	0	0	0	0	111.8	N516 E517 T518	N516-A520 PolarHBondContact O-N 2.89Å; N516-A520 VanDerWaalsContact O-N 3.14Å; E517-A520 PolarHBondContact O-N 3.31Å; T518-A520 VanDerWaalsContact C-N 3.31Å; T518-A520 PolarHBondContact O-N 3.36Å
521	L	55.4	Low	52.6	Low	95 Å²	95	67.9 Å²	67.9	50%	0.497	34%	0.343	S	S	.	.	H	α-helix	trans	-77.6	-34.1	178.7	-77.3	158.9	0	0	0	113.5	H477 F498 E517 T518 Q519	H477-L521 WeakPolarHBondContact CE1-CD1 3.32Å; F498-L521 HydrophobicContact CE2-CD2 4.33Å; F498-L521 HydrophobicContact CZ-CB 4.48Å; F498-L521 HydrophobicContact CZ-CD1 4.12Å; F498-L521 HydrophobicContact CZ-CD2 4.35Å; E517-L521 WeakPolarHBondContact O-CB 3.39Å; E517-L521 WeakPolarHBondContact O-CD1 3.36Å; E517-L521 VanDerWaalsContact O-CG 3.3Å; E517-L521 WeakPolarHBondContact O-CG 3.04Å; E517-L521 PolarHBondContact O-N 3.34Å; T518-L521 PolarHBondContact O-N 3.38Å; Q519-L521 VanDerWaalsContact C-N 3.27Å; Q519-L521 PolarHBondContact O-N 3.23Å
522	F	61.4	Low	52	Low	27 Å²	27	63.9 Å²	63.9	12%	0.118	32%	0.322	C	S	.	.			trans	-118.8	47.8	-175.4	-60.5	-75.8	0	0	0	112.5	I480 F498 T518 D524 A525 I659	I480-F522 HydrophobicContact CD1-CE2 4.12Å; I480-F522 HydrophobicContact CD1-CZ 4.29Å; I480-F522 HydrophobicContact CG2-CZ 4.32Å; F498-F522 HydrophobicContact CD2-CE1 4.41Å; F498-F522 HydrophobicContact CD2-CZ 4.08Å; F498-F522 HydrophobicContact CE1-CZ 4.45Å; F498-F522 AromaticContact CE2-CE1 3.77Å; F498-F522 HydrophobicContact CE2-CE1 3.77Å; F498-F522 AromaticContact CE2-CE2 3.87Å; F498-F522 HydrophobicContact CE2-CE2 3.87Å; F498-F522 AromaticContact CE2-CZ 3.21Å; F498-F522 HydrophobicContact CE2-CZ 3.21Å; F498-F522 HydrophobicContact CZ-CE1 4.42Å; F498-F522 AromaticContact CZ-CE2 3.72Å; F498-F522 HydrophobicContact CZ-CE2 3.72Å; F498-F522 AromaticContact CZ-CZ 3.44Å; F498-F522 HydrophobicContact CZ-CZ 3.44Å; F498-F522 VanDerWaalsContact CZ-CZ 3.44Å; T518-F522 HydrophobicContact CG2-CD2 3.6Å; T518-F522 HydrophobicContact CG2-CE2 3.95Å; T518-F522 WeakPolarHBondContact O-CD2 3.38Å; T518-F522 PolarHBondContact O-N 3.33Å; F522-D524 PolarHBondContact O-N 3.48Å; F522-D524 VanDerWaalsContact O-N 3.12Å; F522-A525 HydrophobicContact CB-CB 4Å; F522-A525 WeakPolarHBondContact O-CB 3.33Å; F522-A525 PolarHBondContact O-N 3.28Å; F522-I659 HydrophobicContact CD1-CG1 4.32Å; F522-I659 HydrophobicContact CD1-CG2 4.05Å; F522-I659 HydrophobicContact CD2-CG1 4.44Å; F522-I659 HydrophobicContact CD2-CG2 4.43Å; F522-I659 HydrophobicContact CE1-CG2 3.59Å; F522-I659 HydrophobicContact CE2-CG2 3.99Å; F522-I659 HydrophobicContact CG-CG1 4.19Å; F522-I659 HydrophobicContact CG-CG2 4.45Å; F522-I659 HydrophobicContact CZ-CG2 3.54Å
523	R	53	Low	51.3	Low	208 Å²	208	63.6 Å²	63.6	79%	0.785	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.5	177.8	-70.3	-174.6	-177.3	-178.1	0.8	113.9	Q519	Q519-R523 WeakPolarHBondContact O-CG 3.36Å; Q519-R523 PolarHBondContact O-N 3.26Å
524	D	48.6	Very low	50.9	Low	139 Å²	139	66.5 Å²	66.5	74%	0.743	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-17.7	178.6	-54.5	-23.2	0	0	0	113	F522 D526	F522-D524 PolarHBondContact O-N 3.48Å; F522-D524 VanDerWaalsContact O-N 3.12Å; D524-D526 PolarHBondContact O-N 2.7Å
525	A	50.2	Low	50.4	Low	11 Å²	11	60.5 Å²	60.5	9%	0.091	31%	0.305	C	S	.	.	S	Bend	trans	-76.4	122.8	172.5	0	0	0	0	0	107.4	F522 S527 Q658 I659	F522-A525 HydrophobicContact CB-CB 4Å; F522-A525 WeakPolarHBondContact O-CB 3.33Å; F522-A525 PolarHBondContact O-N 3.28Å; A525-S527 PolarHBondContact O-N 2.77Å; A525-Q658 HydrophobicContact CB-CB 4.47Å; A525-I659 HydrophobicContact CB-CG1 4.29Å
526	D	49.5	Very low	49.6	Very low	79 Å²	79	58.8 Å²	58.8	42%	0.422	29%	0.291	S	S	.	.			trans	-54.2	113.1	-176.5	-69.1	-41.6	0	0	0	109.1	D524 V528 Q658	D524-D526 PolarHBondContact O-N 2.7Å; D526-V528 VanDerWaalsContact C-N 3.33Å; D526-V528 PolarHBondContact O-N 2.9Å; D526-Q658 VanDerWaalsContact N-OE1 3.17Å; D526-Q658 PolarHBondContact OD2-NE2 2.81Å
527	S	51.4	Low	48.5	Very low	19 Å²	19	66 Å²	66	13%	0.133	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-74.6	98.9	170.8	177.9	0	0	0	0	107.5	A525 K529 T530 D531	A525-S527 PolarHBondContact O-N 2.77Å; S527-K529 PolarHBondContact O-N 2.95Å; S527-T530 WeakPolarHBondContact CB-OG1 3.21Å; S527-T530 PolarHBondContact O-N 3.36Å; S527-T530 PolarHBondContact O-OG1 2.61Å; S527-T530 PolarHBondContact OG-OG1 2.86Å; S527-D531 PolarHBondContact O-N 2.69Å
528	V	50.8	Low	47.6	Very low	17 Å²	17	70 Å²	70	10%	0.103	35%	0.349	C	S	.	.	H	α-helix	trans	-50	-35.6	179.6	-169.6	0	0	0	0	110.6	D526 D531 V532 D623 L626 A653	D526-V528 VanDerWaalsContact C-N 3.33Å; D526-V528 PolarHBondContact O-N 2.9Å; V528-D531 PolarHBondContact O-N 3.21Å; V528-V532 HydrophobicContact CG1-CG2 4.28Å; V528-V532 WeakPolarHBondContact O-CB 3.23Å; V528-V532 WeakPolarHBondContact O-CG2 3.31Å; V528-V532 PolarHBondContact O-N 3.46Å; V528-D623 WeakPolarHBondContact CG1-OD1 3.4Å; V528-L626 HydrophobicContact CB-CD2 3.63Å; V528-L626 HydrophobicContact CG1-CB 4.47Å; V528-L626 HydrophobicContact CG1-CD2 3.41Å; V528-L626 VanDerWaalsContact CG1-CD2 3.41Å; V528-A653 PolarHBondContact N-O 2.94Å
529	K	45.5	Very low	46.6	Very low	29 Å²	29	73.8 Å²	73.8	13%	0.126	38%	0.376	C	S	.	.	H	α-helix	trans	-60.5	-46.2	175	-175.7	175.6	177.1	-178.5	0	112.7	S527 L533 L626 L630 S648 I650 D651	S527-K529 PolarHBondContact O-N 2.95Å; K529-L533 HydrophobicContact CG-CD1 3.99Å; K529-L533 WeakPolarHBondContact O-CB 3.39Å; K529-L533 VanDerWaalsContact O-CG 3.29Å; K529-L533 WeakPolarHBondContact O-CG 3.38Å; K529-L533 PolarHBondContact O-N 3.12Å; K529-L626 HydrophobicContact CB-CD2 4.43Å; K529-L630 HydrophobicContact CB-CD1 4.49Å; K529-L630 HydrophobicContact CD-CD2 4.07Å; K529-L630 HydrophobicContact CG-CD1 3.99Å; K529-L630 HydrophobicContact CG-CD2 4.01Å; K529-S648 PolarHBondContact NZ-OG 3.35Å; K529-I650 PolarHBondContact NZ-O 2.8Å; K529-D651 VanDerWaalsContact CD-O 3.31Å; K529-D651 WeakPolarHBondContact CD-O 3.43Å; K529-D651 PolarHBondContact NZ-O 3.47Å
530	T	45.4	Very low	45.4	Very low	69 Å²	69	77.8 Å²	77.8	42%	0.423	40%	0.398	S	S	.	.	H	α-helix	trans	-67	-40.5	179.3	10.9	0	0	0	0	112.6	S527 L533 K534	S527-T530 WeakPolarHBondContact CB-OG1 3.21Å; S527-T530 PolarHBondContact O-N 3.36Å; S527-T530 PolarHBondContact O-OG1 2.61Å; S527-T530 PolarHBondContact OG-OG1 2.86Å; T530-L533 PolarHBondContact O-N 3.37Å; T530-K534 WeakPolarHBondContact O-CB 3.41Å; T530-K534 WeakPolarHBondContact O-CG 3.15Å; T530-K534 PolarHBondContact O-N 3.01Å
531	D	43.8	Very low	44	Very low	48 Å²	48	79 Å²	79	26%	0.257	42%	0.416	S	S	.	.	H	α-helix	trans	-70	-39.2	179.1	-69.3	-26.3	0	0	0	111.6	S527 V528 K534 R535	S527-D531 PolarHBondContact O-N 2.69Å; V528-D531 PolarHBondContact O-N 3.21Å; D531-K534 PolarHBondContact O-N 2.79Å; D531-K534 IonicContact OD1-NZ 3.86Å; D531-R535 WeakPolarHBondContact O-CG 3.18Å; D531-R535 PolarHBondContact O-N 2.92Å
532	V	44.2	Very low	42.7	Very low	0 Å²	0	83.5 Å²	83.5	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-60.7	-46	171.1	164.2	0	0	0	0	111.5	V528 R535 M536 L626 Q627 L630	V528-V532 HydrophobicContact CG1-CG2 4.28Å; V528-V532 WeakPolarHBondContact O-CB 3.23Å; V528-V532 WeakPolarHBondContact O-CG2 3.31Å; V528-V532 PolarHBondContact O-N 3.46Å; V532-R535 PolarHBondContact O-N 2.81Å; V532-M536 HydrophobicContact CG1-CE 3.8Å; V532-M536 WeakPolarHBondContact O-CG 3.13Å; V532-M536 PolarHBondContact O-N 3.11Å; V532-L626 HydrophobicContact CG2-CD2 4.47Å; V532-Q627 HydrophobicContact CB-CG 4.21Å; V532-Q627 HydrophobicContact CG1-CB 4.23Å; V532-Q627 HydrophobicContact CG1-CG 3.32Å; V532-Q627 HydrophobicContact CG2-CG 3.9Å; V532-L630 HydrophobicContact CB-CD1 4.28Å; V532-L630 HydrophobicContact CG1-CD1 3.71Å
533	L	38.2	Very low	41	Very low	80 Å²	80	88.2 Å²	88.2	42%	0.419	46%	0.463	S	S	.	.	H	α-helix	trans	-62.9	-42.6	177.3	-78.5	167	0	0	0	111.8	K529 T530 R535 M536 M537	K529-L533 HydrophobicContact CG-CD1 3.99Å; K529-L533 WeakPolarHBondContact O-CB 3.39Å; K529-L533 VanDerWaalsContact O-CG 3.29Å; K529-L533 WeakPolarHBondContact O-CG 3.38Å; K529-L533 PolarHBondContact O-N 3.12Å; T530-L533 PolarHBondContact O-N 3.37Å; L533-R535 PolarHBondContact O-N 3.09Å; L533-M536 PolarHBondContact O-N 2.85Å; L533-M537 VanDerWaalsContact O-CG 3.32Å; L533-M537 WeakPolarHBondContact O-CG 3.43Å; L533-M537 PolarHBondContact O-N 2.88Å
534	K	41.7	Very low	39.8	Very low	125 Å²	125	83.6 Å²	83.6	54%	0.543	46%	0.46	S	S	.	.	H	α-helix	trans	-59.5	-45.9	173.8	-75.5	173.7	-174.3	167.9	0	111.6	T530 D531 M536 M537 N538	T530-K534 WeakPolarHBondContact O-CB 3.41Å; T530-K534 WeakPolarHBondContact O-CG 3.15Å; T530-K534 PolarHBondContact O-N 3.01Å; D531-K534 PolarHBondContact O-N 2.79Å; D531-K534 IonicContact OD1-NZ 3.86Å; K534-M536 PolarHBondContact O-N 2.61Å; K534-M537 PolarHBondContact O-N 3.33Å; K534-N538 VanDerWaalsContact O-CG 3.27Å; K534-N538 PolarHBondContact O-N 3.27Å; K534-N538 PolarHBondContact O-OD1 3.47Å
535	R	38.5	Very low	38.6	Very low	113 Å²	113	85 Å²	85	43%	0.426	46%	0.464	S	S	.	.	H	α-helix	trans	-63.9	-39.5	177.4	-70.5	-178.9	-163.6	168.4	13.3	112	D531 V532 L533 N538 S539 D623	D531-R535 WeakPolarHBondContact O-CG 3.18Å; D531-R535 PolarHBondContact O-N 2.92Å; V532-R535 PolarHBondContact O-N 2.81Å; L533-R535 PolarHBondContact O-N 3.09Å; R535-N538 PolarHBondContact O-N 3.42Å; R535-S539 PolarHBondContact O-N 3.22Å; R535-S539 PolarHBondContact O-OG 2.85Å; R535-D623 IonicContact CZ-OD2 3.82Å; R535-D623 IonicContact NH1-OD2 3.49Å; R535-D623 PolarHBondContact NH1-OD2 2.95Å; R535-D623 IonicContact NH2-OD2 2.64Å; R535-D623 PolarHBondContact NH2-OD2 3.43Å
536	M	32.7	Very low	37.5	Very low	34 Å²	34	89.9 Å²	89.9	17%	0.167	49%	0.492	C	S	.	.	H	α-helix	trans	-64.4	-43.4	175.1	-74.8	-161.5	-165.4	0	0	112.3	V532 L533 K534 N538 S539 N540 Q627 R631	V532-M536 HydrophobicContact CG1-CE 3.8Å; V532-M536 WeakPolarHBondContact O-CG 3.13Å; V532-M536 PolarHBondContact O-N 3.11Å; L533-M536 PolarHBondContact O-N 2.85Å; K534-M536 PolarHBondContact O-N 2.61Å; M536-N538 VanDerWaalsContact C-N 3.26Å; M536-N538 PolarHBondContact O-N 3.32Å; M536-S539 WeakPolarHBondContact CA-OG 3.42Å; M536-S539 PolarHBondContact O-N 3.25Å; M536-S539 PolarHBondContact O-OG 2.62Å; M536-N540 PolarHBondContact O-N 2.94Å; M536-Q627 HydrophobicContact CE-CB 3.73Å; M536-Q627 HydrophobicContact CE-CG 3.73Å; M536-Q627 WeakPolarHBondContact CE-O 3.47Å; M536-R631 HydrophobicContact CE-CG 3.65Å; M536-R631 HydrophobicContact SD-CG 4.12Å
537	M	35	Very low	36.6	Very low	150 Å²	150	91.7 Å²	91.7	74%	0.739	51%	0.506	S	S	*	.	H	α-helix	trans	-61.5	-36.7	176.3	-71.3	-179	78.9	0	0	111.6	L533 K534	L533-M537 VanDerWaalsContact O-CG 3.32Å; L533-M537 WeakPolarHBondContact O-CG 3.43Å; L533-M537 PolarHBondContact O-N 2.88Å; K534-M537 PolarHBondContact O-N 3.33Å
538	N	40.3	Very low	35.5	Very low	135 Å²	135	99.6 Å²	99.6	72%	0.722	54%	0.538	S	S	*	.	H	α-helix	trans	-74.7	-31.5	177.3	-67.3	-8.1	0	0	0	113.2	K534 R535 M536	K534-N538 VanDerWaalsContact O-CG 3.27Å; K534-N538 PolarHBondContact O-N 3.27Å; K534-N538 PolarHBondContact O-OD1 3.47Å; R535-N538 PolarHBondContact O-N 3.42Å; M536-N538 VanDerWaalsContact C-N 3.26Å; M536-N538 PolarHBondContact O-N 3.32Å
539	S	38.2	Very low	34.7	Very low	79 Å²	79	102.8 Å²	102.8	55%	0.552	55%	0.554	S	S	*	*	H	α-helix	trans	-74.7	-25.7	-179.7	66	0	0	0	0	113.9	R535 M536 G541	R535-S539 PolarHBondContact O-N 3.22Å; R535-S539 PolarHBondContact O-OG 2.85Å; M536-S539 WeakPolarHBondContact CA-OG 3.42Å; M536-S539 PolarHBondContact O-N 3.25Å; M536-S539 PolarHBondContact O-OG 2.62Å; S539-G541 VanDerWaalsContact C-N 3.34Å; S539-G541 PolarHBondContact O-N 3.4Å; S539-G541 VanDerWaalsContact O-N 3.1Å
540	N	32.4	Very low	34.6	Very low	125 Å²	125	105 Å²	105	67%	0.668	57%	0.573	S	S	*	*	S	Bend	trans	-84.9	84.6	171.8	-78.6	-18.4	0	0	0	108.4	M536 K542	M536-N540 PolarHBondContact O-N 2.94Å; N540-K542 PolarHBondContact O-N 2.88Å
541	G	27.5	Very low	35.3	Very low	78 Å²	78	108.1 Å²	108.1	80%	0.804	59%	0.587	S	S	*	*			trans	-63.3	49.3	175.1	0	0	0	0	0	115	S539	S539-G541 VanDerWaalsContact C-N 3.34Å; S539-G541 PolarHBondContact O-N 3.4Å; S539-G541 VanDerWaalsContact O-N 3.1Å
542	K	28.6	Very low	36.1	Very low	188 Å²	188	113.4 Å²	113.4	82%	0.817	61%	0.608	S	S	*	*	S	Bend	trans	-103.3	101.5	152.3	-72.8	-174.9	179.2	-179.6	0	105.3	N540 P544	N540-K542 PolarHBondContact O-N 2.88Å; K542-P544 VanDerWaalsContact O-N 3.09Å
543	T	26.5	Very low	36.6	Very low	127 Å²	127	119.6 Å²	119.6	78%	0.779	64%	0.635	S	S	*	*			trans	-34.2	118.9	168.3	31.4	0	0	0	0	108.7	M545	T543-M545 PolarHBondContact O-N 3.3Å
544	P	27.1	Very low	37.6	Very low	110 Å²	110	118.9 Å²	118.9	71%	0.714	63%	0.631	S	S	*	*			trans	-59.9	115.6	179.2	22.9	-29.3	0	0	0	105.4	K542 T546	K542-P544 VanDerWaalsContact O-N 3.09Å; P544-T546 PolarHBondContact O-N 3.4Å
545	M	23.9	Very low	38.9	Very low	170 Å²	170	122.2 Å²	122.2	84%	0.837	64%	0.64	S	S	*	*			trans	-57.4	92.1	165.5	-79.9	-142.3	-64.8	0	0	105.6	T543 V547	T543-M545 PolarHBondContact O-N 3.3Å; M545-V547 PolarHBondContact O-N 3.19Å
546	T	26.9	Very low	40.3	Very low	112 Å²	112	125.1 Å²	125.1	69%	0.687	65%	0.651	S	S	*	*			trans	-64.3	92.8	160.9	29.4	0	0	0	0	103.3	P544 K548	P544-T546 PolarHBondContact O-N 3.4Å; T546-K548 PolarHBondContact O-N 3.4Å
547	V	29.1	Very low	41.6	Very low	118 Å²	118	128.3 Å²	128.3	72%	0.715	67%	0.668	S	S	*	*			trans	-62.8	81.5	166.5	-178.9	0	0	0	0	104.9	M545 L549	M545-V547 PolarHBondContact O-N 3.19Å; V547-L549 VanDerWaalsContact C-N 3.34Å; V547-L549 PolarHBondContact O-N 3.18Å
548	K	28.3	Very low	43.3	Very low	184 Å²	184	128.5 Å²	128.5	80%	0.8	67%	0.665	S	S	*	*			trans	-59.2	106.3	166.7	-76.5	-174.2	177.3	179.8	0	104.3	T546 S550	T546-K548 PolarHBondContact O-N 3.4Å; K548-S550 PolarHBondContact O-N 3.46Å; K548-S550 VanDerWaalsContact O-N 3.12Å
549	L	35.4	Very low	44.9	Very low	84 Å²	84	127.4 Å²	127.4	44%	0.44	66%	0.656	S	S	.	*			trans	-49.5	124.2	168.7	-80.9	112.9	0	0	0	106.7	V547 D551 K553 I554	V547-L549 VanDerWaalsContact C-N 3.34Å; V547-L549 PolarHBondContact O-N 3.18Å; L549-D551 PolarHBondContact O-N 2.9Å; L549-K553 HydrophobicContact CD2-CD 4.08Å; L549-K553 HydrophobicContact CD2-CG 4.13Å; L549-I554 HydrophobicContact CB-CD1 4.23Å; L549-I554 HydrophobicContact CB-CG1 3.84Å; L549-I554 VanDerWaalsContact O-CD1 3.29Å; L549-I554 WeakPolarHBondContact O-CD1 3.43Å
550	S	43.7	Very low	45.9	Very low	75 Å²	75	129.5 Å²	129.5	52%	0.524	66%	0.658	S	S	.	*			trans	-50.7	139.5	-179.4	62.9	0	0	0	0	109.7	K548 K552 K553 I554	K548-S550 PolarHBondContact O-N 3.46Å; K548-S550 VanDerWaalsContact O-N 3.12Å; S550-K552 PolarHBondContact O-N 2.9Å; S550-K553 WeakPolarHBondContact O-CA 3.36Å; S550-K553 WeakPolarHBondContact O-CB 3.43Å; S550-K553 PolarHBondContact O-N 3.04Å; S550-I554 PolarHBondContact O-N 2.76Å
551	D	59.4	Low	47.4	Very low	135 Å²	135	126.2 Å²	126.2	72%	0.722	65%	0.649	S	S	*	*	H	α-helix	trans	-52.9	-30.4	-175.1	-72.6	-42.9	0	0	0	112.1	L549 K553 I554 R555	L549-D551 PolarHBondContact O-N 2.9Å; D551-K553 VanDerWaalsContact C-N 3.34Å; D551-K553 PolarHBondContact O-N 3.15Å; D551-I554 PolarHBondContact O-N 2.76Å; D551-R555 VanDerWaalsContact O-CB 3.3Å; D551-R555 WeakPolarHBondContact O-CB 3.38Å; D551-R555 PolarHBondContact O-N 2.86Å
552	K	61.4	Low	49.5	Very low	160 Å²	160	129.8 Å²	129.8	70%	0.696	64%	0.642	S	S	*	*	H	α-helix	trans	-59.7	-39.3	173.9	-153.9	172.9	-172.1	175.2	0	112.9	S550 R556	S550-K552 PolarHBondContact O-N 2.9Å; K552-R556 PolarHBondContact O-N 3.47Å; K552-R556 VanDerWaalsContact O-N 3.13Å
553	K	53.4	Low	51.3	Low	129 Å²	129	129.4 Å²	129.4	56%	0.561	64%	0.635	S	S	*	*	H	α-helix	trans	-77.5	-37.5	178.9	-159.4	160.2	-179.5	179	0	111.6	L549 S550 D551 R555 R556 L557	L549-K553 HydrophobicContact CD2-CD 4.08Å; L549-K553 HydrophobicContact CD2-CG 4.13Å; S550-K553 WeakPolarHBondContact O-CA 3.36Å; S550-K553 WeakPolarHBondContact O-CB 3.43Å; S550-K553 PolarHBondContact O-N 3.04Å; D551-K553 VanDerWaalsContact C-N 3.34Å; D551-K553 PolarHBondContact O-N 3.15Å; K553-R555 VanDerWaalsContact C-N 3.34Å; K553-R556 PolarHBondContact O-N 2.76Å; K553-L557 PolarHBondContact O-N 2.98Å
554	I	60.4	Low	52.8	Low	66 Å²	66	128.6 Å²	128.6	34%	0.338	63%	0.626	S	S	.	*	H	α-helix	trans	-62.2	-43	171.5	-61.7	176.4	0	0	0	110.5	L549 S550 D551 L557 K558	L549-I554 HydrophobicContact CB-CD1 4.23Å; L549-I554 HydrophobicContact CB-CG1 3.84Å; L549-I554 VanDerWaalsContact O-CD1 3.29Å; L549-I554 WeakPolarHBondContact O-CD1 3.43Å; S550-I554 PolarHBondContact O-N 2.76Å; D551-I554 PolarHBondContact O-N 2.76Å; I554-L557 PolarHBondContact O-N 3.23Å; I554-K558 PolarHBondContact O-N 3.41Å
555	R	68	Low	54.6	Low	195 Å²	195	127 Å²	127	74%	0.736	62%	0.617	S	S	*	*	H	α-helix	trans	-62.2	-44.6	177.7	-145.6	173.2	-171.3	176.3	1.4	111.2	D551 K553 L557 K558 E559	D551-R555 VanDerWaalsContact O-CB 3.3Å; D551-R555 WeakPolarHBondContact O-CB 3.38Å; D551-R555 PolarHBondContact O-N 2.86Å; K553-R555 VanDerWaalsContact C-N 3.34Å; R555-L557 PolarHBondContact O-N 3.38Å; R555-K558 PolarHBondContact O-N 3.34Å; R555-E559 WeakPolarHBondContact O-CB 3.12Å; R555-E559 PolarHBondContact O-N 2.86Å
556	R	67.5	Low	56.2	Low	173 Å²	173	125.6 Å²	125.6	65%	0.653	61%	0.607	S	S	*	*	H	α-helix	trans	-59.8	-42.9	174.1	-81.4	-175.8	176.1	177.2	-0.7	113.2	K552 K553 E559 M560	K552-R556 PolarHBondContact O-N 3.47Å; K552-R556 VanDerWaalsContact O-N 3.13Å; K553-R556 PolarHBondContact O-N 2.76Å; R556-E559 PolarHBondContact O-N 2.82Å; R556-M560 PolarHBondContact O-N 3.47Å
557	L	60.2	Low	57.3	Low	101 Å²	101	124.2 Å²	124.2	53%	0.529	60%	0.601	S	S	.	*	H	α-helix	trans	-65.6	-42.8	178.2	-82.6	161.5	0	0	0	112	K553 I554 R555 E559 M560 A561	K553-L557 PolarHBondContact O-N 2.98Å; I554-L557 PolarHBondContact O-N 3.23Å; R555-L557 PolarHBondContact O-N 3.38Å; L557-E559 VanDerWaalsContact C-N 3.26Å; L557-E559 PolarHBondContact O-N 3.29Å; L557-M560 PolarHBondContact O-N 3.44Å; L557-A561 WeakPolarHBondContact O-CB 3.45Å; L557-A561 PolarHBondContact O-N 2.93Å
558	K	70.8	Confident	58	Low	154 Å²	154	126 Å²	126	67%	0.67	60%	0.604	S	S	*	*	H	α-helix	trans	-61	-37.2	173.6	-77.5	-175.5	176.5	-179.5	0	111.9	I554 R555 A561 K562	I554-K558 PolarHBondContact O-N 3.41Å; R555-K558 PolarHBondContact O-N 3.34Å; K558-A561 PolarHBondContact O-N 3.23Å; K558-K562 PolarHBondContact O-N 2.97Å
559	E	73.9	Confident	59	Low	112 Å²	112	122 Å²	122	52%	0.523	60%	0.595	S	S	.	*	H	α-helix	trans	-73.5	-38.5	-179.7	-158.2	148.9	-155.1	0	0	112.4	R555 R556 L557 K562 R563	R555-E559 WeakPolarHBondContact O-CB 3.12Å; R555-E559 PolarHBondContact O-N 2.86Å; R556-E559 PolarHBondContact O-N 2.82Å; L557-E559 VanDerWaalsContact C-N 3.26Å; L557-E559 PolarHBondContact O-N 3.29Å; E559-K562 PolarHBondContact O-N 3.42Å; E559-R563 WeakPolarHBondContact O-CG 3.42Å; E559-R563 PolarHBondContact O-N 2.95Å
560	M	59.9	Low	59.3	Low	123 Å²	123	124.6 Å²	124.6	61%	0.606	61%	0.609	S	S	*	*	H	α-helix	trans	-62.1	-44	169.7	-80.2	-178.4	168.3	0	0	112	R556 L557 K562 R563 L564	R556-M560 PolarHBondContact O-N 3.47Å; L557-M560 PolarHBondContact O-N 3.44Å; M560-K562 VanDerWaalsContact C-N 3.3Å; M560-K562 PolarHBondContact O-N 3.31Å; M560-R563 PolarHBondContact O-N 3.44Å; M560-R563 VanDerWaalsContact O-N 3.16Å; M560-L564 PolarHBondContact O-N 2.87Å
561	A	62.8	Low	58.8	Low	57 Å²	57	128.3 Å²	128.3	47%	0.471	62%	0.623	S	S	.	*	H	α-helix	trans	-61.4	-39.8	175.9	0	0	0	0	0	111.8	L557 K558 R563 L564 S565	L557-A561 WeakPolarHBondContact O-CB 3.45Å; L557-A561 PolarHBondContact O-N 2.93Å; K558-A561 PolarHBondContact O-N 3.23Å; A561-R563 PolarHBondContact O-N 3.24Å; A561-L564 PolarHBondContact O-N 3.45Å; A561-S565 WeakPolarHBondContact O-CB 3.36Å; A561-S565 PolarHBondContact O-N 2.96Å
562	K	71.5	Confident	57.5	Low	152 Å²	152	130.8 Å²	130.8	66%	0.661	63%	0.627	S	S	*	*	H	α-helix	trans	-64.7	-37.7	174.7	-127.2	177.6	-176.1	179.2	0	112.4	K558 E559 M560 K566	K558-K562 PolarHBondContact O-N 2.97Å; E559-K562 PolarHBondContact O-N 3.42Å; M560-K562 VanDerWaalsContact C-N 3.3Å; M560-K562 PolarHBondContact O-N 3.31Å; K562-K566 WeakPolarHBondContact O-CG 3.38Å; K562-K566 PolarHBondContact O-N 3.49Å; K562-K566 VanDerWaalsContact O-N 3.12Å
563	R	67.7	Low	56	Low	180 Å²	180	130.2 Å²	130.2	68%	0.679	63%	0.632	S	S	*	*	H	α-helix	trans	-68.9	-43	175.6	-74.8	-179.9	-178.8	-176.2	-0.2	112.1	E559 M560 A561 S565 K566 S567	E559-R563 WeakPolarHBondContact O-CG 3.42Å; E559-R563 PolarHBondContact O-N 2.95Å; M560-R563 PolarHBondContact O-N 3.44Å; M560-R563 VanDerWaalsContact O-N 3.16Å; A561-R563 PolarHBondContact O-N 3.24Å; R563-S565 VanDerWaalsContact C-N 3.35Å; R563-K566 PolarHBondContact O-N 3.47Å; R563-S567 WeakPolarHBondContact O-CB 3.29Å; R563-S567 PolarHBondContact O-N 3.42Å
564	L	57.8	Low	54.8	Low	111 Å²	111	131.4 Å²	131.4	58%	0.581	65%	0.645	S	S	*	*	H	α-helix	trans	-61	-43.9	175.1	-85.8	155.2	0	0	0	111.5	M560 A561 K566 S567 M568	M560-L564 PolarHBondContact O-N 2.87Å; A561-L564 PolarHBondContact O-N 3.45Å; L564-K566 PolarHBondContact O-N 2.93Å; L564-S567 PolarHBondContact O-N 2.54Å; L564-M568 PolarHBondContact O-N 2.84Å
565	S	65	Low	53.1	Low	76 Å²	76	136 Å²	136	53%	0.531	67%	0.67	S	S	.	*	H	α-helix	trans	-59.8	-45.1	175.3	164.2	0	0	0	0	112.5	A561 R563 M568 T569	A561-S565 WeakPolarHBondContact O-CB 3.36Å; A561-S565 PolarHBondContact O-N 2.96Å; R563-S565 VanDerWaalsContact C-N 3.35Å; S565-M568 PolarHBondContact O-N 3.17Å; S565-T569 PolarHBondContact O-N 3.21Å; S565-T569 PolarHBondContact O-OG1 2.92Å; S565-T569 VanDerWaalsContact O-OG1 3.05Å
566	K	57.8	Low	51.1	Low	141 Å²	141	132.4 Å²	132.4	61%	0.613	67%	0.674	S	S	*	*	H	α-helix	trans	-68.6	-34.6	177.4	-75.1	-175.5	176.6	-171.3	0	113.2	K562 R563 L564 M568 T569 N570	K562-K566 WeakPolarHBondContact O-CG 3.38Å; K562-K566 PolarHBondContact O-N 3.49Å; K562-K566 VanDerWaalsContact O-N 3.12Å; R563-K566 PolarHBondContact O-N 3.47Å; L564-K566 PolarHBondContact O-N 2.93Å; K566-M568 VanDerWaalsContact C-N 3.33Å; K566-T569 PolarHBondContact O-N 3.39Å; K566-T569 PolarHBondContact O-OG1 3.36Å; K566-N570 PolarHBondContact O-N 3.18Å
567	S	48.2	Very low	49.1	Very low	82 Å²	82	132 Å²	132	57%	0.573	68%	0.683	S	S	*	*	H	α-helix	trans	-64.7	-40	176.5	179.9	0	0	0	0	111.4	R563 L564 T569 N570	R563-S567 WeakPolarHBondContact O-CB 3.29Å; R563-S567 PolarHBondContact O-N 3.42Å; L564-S567 PolarHBondContact O-N 2.54Å; S567-T569 PolarHBondContact O-N 2.85Å; S567-N570 PolarHBondContact O-N 3.02Å
568	M	43.8	Very low	47.5	Very low	156 Å²	156	135 Å²	135	77%	0.768	70%	0.698	S	S	*	*	H	α-helix	trans	-70.9	-28	179.8	-74.9	-164	167.9	0	0	114.1	L564 S565 K566	L564-M568 PolarHBondContact O-N 2.84Å; S565-M568 PolarHBondContact O-N 3.17Å; K566-M568 VanDerWaalsContact C-N 3.33Å
569	T	50.4	Low	45.1	Very low	100 Å²	100	132.2 Å²	132.2	61%	0.613	70%	0.699	S	S	*	*	H	α-helix	trans	-80.7	-25.4	176.4	24.9	0	0	0	0	113.9	S565 K566 S567 N571	S565-T569 PolarHBondContact O-N 3.21Å; S565-T569 PolarHBondContact O-OG1 2.92Å; S565-T569 VanDerWaalsContact O-OG1 3.05Å; K566-T569 PolarHBondContact O-N 3.39Å; K566-T569 PolarHBondContact O-OG1 3.36Å; S567-T569 PolarHBondContact O-N 2.85Å; T569-N571 VanDerWaalsContact C-N 3.28Å; T569-N571 PolarHBondContact O-N 3.48Å
570	N	40.8	Very low	42.6	Very low	138 Å²	138	131.9 Å²	131.9	74%	0.738	71%	0.708	S	S	*	*	H	α-helix	trans	-75.2	-12.3	-178.3	-85.8	5.2	0	0	0	114.4	K566 S567 K572	K566-N570 PolarHBondContact O-N 3.18Å; S567-N570 PolarHBondContact O-N 3.02Å; N570-K572 PolarHBondContact O-N 3.23Å
571	N	34.4	Very low	40.8	Very low	153 Å²	153	131.1 Å²	131.1	82%	0.818	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	19.5	-173.4	-121.3	15.2	0	0	0	115.2	T569	T569-N571 VanDerWaalsContact C-N 3.28Å; T569-N571 PolarHBondContact O-N 3.48Å
572	K	32.8	Very low	38.9	Very low	188 Å²	188	133.5 Å²	133.5	82%	0.817	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.2	3.6	-178.7	-91.9	-172.9	176.3	-177.9	0	117.2	N570	N570-K572 PolarHBondContact O-N 3.23Å
573	N	29.7	Very low	36.5	Very low	148 Å²	148	133.7 Å²	133.7	79%	0.791	74%	0.737	S	S	*	*			trans	-118	50.1	-176	-75.4	6.5	0	0	0	114.1
574	N	26.8	Very low	34.4	Very low	154 Å²	154	130.9 Å²	130.9	82%	0.824	74%	0.744	S	S	*	*			trans	-112.1	88.6	160.8	-80.8	-7.8	0	0	0	108.3
575	N	25.2	Very low	32.6	Very low	162 Å²	162	133.6 Å²	133.6	87%	0.866	76%	0.76	S	S	*	*			trans	162.3	95.3	148.8	-84.8	-11.4	0	0	0	110.3
576	S	25.9	Very low	30.8	Very low	119 Å²	119	135 Å²	135	83%	0.832	78%	0.776	S	S	*	*			trans	165.3	113	130.9	60.3	0	0	0	0	109.8
577	I	24.8	Very low	29.1	Very low	164 Å²	164	138.2 Å²	138.2	84%	0.841	79%	0.79	S	S	*	*			trans	-59.8	132.3	161.9	-64.4	160.8	0	0	0	108.2
578	I	27.3	Very low	27.9	Very low	164 Å²	164	144 Å²	144	84%	0.841	80%	0.804	S	S	*	*			trans	175.9	140.7	133.1	-82.9	152.4	0	0	0	108.8
579	S	20.7	Very low	26.9	Very low	97 Å²	97	144.9 Å²	144.9	68%	0.678	81%	0.809	S	S	*	*			trans	-69.7	156.7	-163.7	43.8	0	0	0	0	118.6
580	S	22.1	Very low	25.8	Very low	104 Å²	104	147 Å²	147	73%	0.727	82%	0.821	S	S	*	*			trans	93.9	118.6	135.2	69.3	0	0	0	0	121.3
581	S	22.4	Very low	25.2	Very low	107 Å²	107	147.2 Å²	147.2	75%	0.748	82%	0.822	S	S	*	*			trans	93.8	103.9	134.3	-58	0	0	0	0	121.3
582	S	21.4	Very low	25	Very low	108 Å²	108	143.6 Å²	143.6	76%	0.755	82%	0.822	S	S	*	*				85.4	110.6	122.7	-50.6	0	0	0	0	121.6
583	N	20.9	Very low	24.9	Very low	156 Å²	156	141.1 Å²	141.1	83%	0.834	82%	0.822	S	S	*	*			trans	50.2	115.6	135.7	-80.5	-9.1	0	0	0	121.3
584	S	23.6	Very low	24.6	Very low	120 Å²	120	145.3 Å²	145.3	84%	0.839	83%	0.827	S	S	*	*				152.2	151.7	99.6	59.6	0	0	0	0	113.5
585	N	21.3	Very low	24.7	Very low	168 Å²	168	143.1 Å²	143.1	90%	0.898	81%	0.814	S	S	*	*			trans	-58.2	133.9	-171.4	-69.3	-51.3	0	0	0	115.6
586	A	26.5	Very low	25.1	Very low	105 Å²	105	141 Å²	141	87%	0.868	81%	0.809	S	S	*	*			trans	-146.7	95	154.8	0	0	0	0	0	111.7
587	K	21.5	Very low	25.5	Very low	209 Å²	209	143.7 Å²	143.7	91%	0.909	81%	0.806	S	S	*	*			trans	-83.6	121	156.6	-88.1	176.7	174.5	173	0	107.6
588	K	23.7	Very low	25.5	Very low	203 Å²	203	143 Å²	143	88%	0.883	80%	0.803	S	S	*	*			trans	-155.5	118	150	-109.9	172.8	-174.3	-179	0	110
589	M	21.7	Very low	25.5	Very low	176 Å²	176	141.8 Å²	141.8	87%	0.867	80%	0.798	S	S	*	*			trans	-65.3	140.8	170.5	-71.1	162.2	60.8	0	0	109.4
590	V	28.4	Very low	25.7	Very low	144 Å²	144	146 Å²	146	87%	0.873	81%	0.805	S	S	*	*			trans	-111.9	107.4	172.5	177.1	0	0	0	0	107.2
591	D	29	Very low	25.8	Very low	142 Å²	142	149.4 Å²	149.4	76%	0.759	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-71.4	132	173.1	-81.8	-41.2	0	0	0	110.8
592	G	29.7	Very low	25.9	Very low	78 Å²	78	149.8 Å²	149.8	80%	0.804	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-75.3	123.9	179.9	0	0	0	0	0	112.6
593	V	30.3	Very low	26	Very low	135 Å²	135	152.1 Å²	152.1	82%	0.818	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-63.4	126	178.8	176.6	0	0	0	0	111.6
594	R	23.7	Very low	26.1	Very low	237 Å²	237	150.1 Å²	150.1	89%	0.894	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-92.8	117.2	176.4	-162.3	176.5	-172.9	179	0.3	109.1
595	I	29.3	Very low	26.2	Very low	108 Å²	108	151.7 Å²	151.7	55%	0.554	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-84	124.1	-173.2	-59	174.3	0	0	0	110.4	F597	I595-F597 HydrophobicContact CG2-CD1 3.8Å; I595-F597 HydrophobicContact CG2-CE1 3.51Å; I595-F597 HydrophobicContact CG2-CZ 4.22Å
596	P	32.3	Very low	26.3	Very low	117 Å²	117	152.3 Å²	152.3	76%	0.76	80%	0.797	S	S	*	*	G	3₁₀ helix	trans	-82.1	-12.2	-162.4	-16.7	32.9	0	0	0	118.4	L598	P596-L598 PolarHBondContact O-N 3.23Å
597	F	34.5	Very low	26.1	Very low	176 Å²	176	156.6 Å²	156.6	77%	0.772	80%	0.799	S	S	*	*	G	3₁₀ helix	trans	-93.5	13.5	-172.1	65.6	-96	0	0	0	115.1	I595	I595-F597 HydrophobicContact CG2-CD1 3.8Å; I595-F597 HydrophobicContact CG2-CE1 3.51Å; I595-F597 HydrophobicContact CG2-CZ 4.22Å
598	L	25.4	Very low	26.3	Very low	150 Å²	150	151.2 Å²	151.2	79%	0.785	79%	0.793	S	S	*	*	G	3₁₀ helix	trans	-97.7	25	173.2	-83	165.9	0	0	0	113.1	P596 K600	P596-L598 PolarHBondContact O-N 3.23Å; L598-K600 PolarHBondContact O-N 3.49Å
599	D	26.4	Very low	26.3	Very low	138 Å²	138	149.1 Å²	149.1	74%	0.738	79%	0.791	S	S	*	*			trans	-87.8	101.3	171.6	-144.8	6.9	0	0	0	109.1	Q601	D599-Q601 VanDerWaalsContact C-N 3.29Å; D599-Q601 PolarHBondContact O-N 2.61Å
600	K	25.5	Very low	26.4	Very low	186 Å²	186	148.4 Å²	148.4	81%	0.809	79%	0.791	S	S	*	*			trans	-65.4	90.9	172.7	-76.7	-178.2	175.5	-177.4	0	108.1	L598 T602	L598-K600 PolarHBondContact O-N 3.49Å; K600-T602 PolarHBondContact O-N 2.94Å; K600-T602 PolarHBondContact O-OG1 2.82Å
601	Q	23.4	Very low	26.2	Very low	175 Å²	175	150.1 Å²	150.1	82%	0.818	79%	0.79	S	S	*	*			trans	-63	91	162.5	-75.7	-176.1	-2.9	0	0	107.8	D599 L603	D599-Q601 VanDerWaalsContact C-N 3.29Å; D599-Q601 PolarHBondContact O-N 2.61Å; Q601-L603 PolarHBondContact O-N 3.43Å; Q601-L603 VanDerWaalsContact O-N 3.1Å
602	T	24.4	Very low	25.9	Very low	114 Å²	114	149.4 Å²	149.4	70%	0.699	79%	0.791	S	S	*	*			trans	-73.1	99.5	169.1	-42.6	0	0	0	0	104.2	K600 V604	K600-T602 PolarHBondContact O-N 2.94Å; K600-T602 PolarHBondContact O-OG1 2.82Å; T602-V604 VanDerWaalsContact C-N 3.31Å; T602-V604 PolarHBondContact O-N 3.16Å
603	L	23.9	Very low	25.5	Very low	157 Å²	157	151.9 Å²	151.9	82%	0.822	80%	0.795	S	S	*	*			trans	-60.5	99.2	170.4	-77.7	160.8	0	0	0	106.7	Q601 D605	Q601-L603 PolarHBondContact O-N 3.43Å; Q601-L603 VanDerWaalsContact O-N 3.1Å; L603-D605 PolarHBondContact O-N 3.43Å
604	V	23.9	Very low	25.1	Very low	115 Å²	115	150.4 Å²	150.4	70%	0.697	79%	0.79	S	S	*	*			trans	-79	97.7	171.1	-179.7	0	0	0	0	105.8	T602 K606	T602-V604 VanDerWaalsContact C-N 3.31Å; T602-V604 PolarHBondContact O-N 3.16Å; V604-K606 PolarHBondContact O-N 2.79Å
605	D	24.5	Very low	25.2	Very low	153 Å²	153	144.3 Å²	144.3	82%	0.818	78%	0.784	S	S	*	*			trans	-61	104.5	160	-75	-32.8	0	0	0	106.8	L603	L603-D605 PolarHBondContact O-N 3.43Å
606	K	23.7	Very low	25	Very low	180 Å²	180	148.2 Å²	148.2	78%	0.783	80%	0.797	S	S	*	*			trans	-65.3	146.4	168	-67.6	177.6	176.6	177.6	0	107.6	V604	V604-K606 PolarHBondContact O-N 2.79Å
607	E	23.7	Very low	24.7	Very low	196 Å²	196	151.5 Å²	151.5	92%	0.916	80%	0.802	S	S	*	*			trans	96.1	64.3	-179.3	-55	176.5	-168.6	0	0	115.2
608	A	25.1	Very low	24.5	Very low	95 Å²	95	149 Å²	149	79%	0.785	80%	0.796	S	S	*	*			trans	-141	104.8	142.3	0	0	0	0	0	107.1	D610	A608-D610 PolarHBondContact O-N 3.08Å
609	D	23.7	Very low	25	Very low	159 Å²	159	147.6 Å²	147.6	85%	0.85	79%	0.79	S	S	*	*			trans	-46.1	134.4	-176.5	-71.5	-48.2	0	0	0	112.7	Q611	D609-Q611 PolarHBondContact O-N 3.38Å
610	D	23.2	Very low	25.5	Very low	162 Å²	162	146.6 Å²	146.6	87%	0.866	79%	0.789	S	S	*	*			trans	-55.2	76.9	171.3	-79.4	-44.6	0	0	0	111.6	A608 T612	A608-D610 PolarHBondContact O-N 3.08Å; D610-T612 PolarHBondContact O-N 3.04Å; D610-T612 VanDerWaalsContact O-N 3.11Å
611	Q	24	Very low	26.2	Very low	179 Å²	179	140.2 Å²	140.2	84%	0.836	77%	0.768	S	S	*	*			trans	-78.3	90.8	152.3	-75.4	-172.3	16.4	0	0	107.3	D609 C613	D609-Q611 PolarHBondContact O-N 3.38Å; Q611-C613 PolarHBondContact O-N 2.88Å
612	T	23.2	Very low	27.1	Very low	128 Å²	128	132.5 Å²	132.5	79%	0.785	74%	0.735	S	S	*	*			trans	-34.8	106.7	167.8	-4.7	0	0	0	0	109.4	D610 S614	D610-T612 PolarHBondContact O-N 3.04Å; D610-T612 VanDerWaalsContact O-N 3.11Å; T612-S614 PolarHBondContact O-N 2.91Å
613	C	20.6	Very low	28.4	Very low	130 Å²	130	128.4 Å²	128.4	88%	0.878	71%	0.709	S	S	*	*			trans	-61.8	85	165.6	-84.4	0	0	0	0	107.4	Q611 S615	Q611-C613 PolarHBondContact O-N 2.88Å; C613-S615 PolarHBondContact O-N 3.16Å
614	S	22.7	Very low	30	Very low	103 Å²	103	124.5 Å²	124.5	72%	0.72	68%	0.684	S	S	*	*			trans	-56.3	110.8	163.6	51.8	0	0	0	0	106.5	T612 K616	T612-S614 PolarHBondContact O-N 2.91Å; S614-K616 PolarHBondContact O-N 3.18Å
615	S	26.3	Very low	31.5	Very low	109 Å²	109	119.1 Å²	119.1	76%	0.762	65%	0.651	S	S	*	*			trans	-42.1	105.1	168.3	47.9	0	0	0	0	108.5	C613 Q617	C613-S615 PolarHBondContact O-N 3.16Å; S615-Q617 PolarHBondContact O-N 3.08Å
616	K	25.5	Very low	32.9	Very low	190 Å²	190	112.1 Å²	112.1	83%	0.826	61%	0.613	S	S	*	*			trans	-50.5	118.8	172.3	-73.6	-178.7	177.1	179	0	106.6	S614 N618	S614-K616 PolarHBondContact O-N 3.18Å; K616-N618 PolarHBondContact O-N 3.47Å
617	Q	24.8	Very low	34.2	Very low	187 Å²	187	105.7 Å²	105.7	87%	0.874	59%	0.586	S	S	*	*			trans	-52.9	109	176.5	-70.8	175.5	-11.6	0	0	107.5	S615 D619	S615-Q617 PolarHBondContact O-N 3.08Å; Q617-D619 PolarHBondContact O-N 3.23Å
618	N	30.7	Very low	35.4	Very low	122 Å²	122	97.7 Å²	97.7	65%	0.652	55%	0.552	S	S	*	*			trans	-59	122.7	178.4	-82.2	-16.5	0	0	0	109.1	K616 T620	K616-N618 PolarHBondContact O-N 3.47Å; N618-T620 PolarHBondContact O-N 3.02Å
619	D	36	Very low	36.8	Very low	122 Å²	122	93.2 Å²	93.2	65%	0.652	52%	0.515	S	S	*	.			trans	-50	122.1	-175.8	-77	-45.4	0	0	0	112.9	Q617 S621	Q617-D619 PolarHBondContact O-N 3.23Å; D619-S621 VanDerWaalsContact C-N 3.3Å; D619-S621 PolarHBondContact O-N 2.73Å
620	T	36.2	Very low	38.1	Very low	116 Å²	116	86.3 Å²	86.3	71%	0.712	48%	0.478	S	S	*	.	H	α-helix	trans	-77.1	-9.5	-175.3	47.5	0	0	0	0	114.4	N618	N618-T620 PolarHBondContact O-N 3.02Å
621	S	40.4	Very low	39.2	Very low	53 Å²	53	84.5 Å²	84.5	37%	0.371	46%	0.459	S	S	.	.	H	α-helix	trans	-73.8	-38.3	-167.7	-172	0	0	0	0	114.2	D619 Y624	D619-S621 VanDerWaalsContact C-N 3.3Å; D619-S621 PolarHBondContact O-N 2.73Å; S621-Y624 WeakPolarHBondContact O-CD1 3.44Å; S621-Y624 WeakPolarHBondContact O-CE1 3.4Å
622	G	42.6	Very low	40	Very low	13 Å²	13	78.4 Å²	78.4	13%	0.134	43%	0.434	C	S	.	.	H	α-helix	trans	-78.8	-35	176.2	0	0	0	0	0	113.3	Y624 I625 L626	G622-Y624 VanDerWaalsContact C-N 3.34Å; G622-Y624 PolarHBondContact O-N 3.3Å; G622-I625 PolarHBondContact O-N 2.77Å; G622-L626 PolarHBondContact O-N 3.35Å
623	D	51.3	Low	40.9	Very low	27 Å²	27	72.6 Å²	72.6	14%	0.144	40%	0.398	C	S	.	.	H	α-helix	trans	-63.1	-35.2	-173	-91.9	-8.7	0	0	0	113.2	V528 R535 I625 Q627	V528-D623 WeakPolarHBondContact CG1-OD1 3.4Å; R535-D623 IonicContact CZ-OD2 3.82Å; R535-D623 IonicContact NH1-OD2 3.49Å; R535-D623 PolarHBondContact NH1-OD2 2.95Å; R535-D623 IonicContact NH2-OD2 2.64Å; R535-D623 PolarHBondContact NH2-OD2 3.43Å; D623-I625 VanDerWaalsContact C-N 3.34Å; D623-I625 PolarHBondContact O-N 3.17Å; D623-Q627 WeakPolarHBondContact O-CB 3.38Å; D623-Q627 VanDerWaalsContact O-CG 3.26Å; D623-Q627 WeakPolarHBondContact O-CG 3.17Å; D623-Q627 PolarHBondContact O-N 2.85Å
624	Y	57.1	Low	41.5	Very low	76 Å²	76	69.4 Å²	69.4	30%	0.298	38%	0.378	S	S	.	.	H	α-helix	trans	-69.3	-32.1	-178.2	86.6	-98.7	0	0	0	112.4	Q357 S621 G622 Q627 S628	Q357-Y624 VanDerWaalsContact NE2-CE2 3.33Å; S621-Y624 WeakPolarHBondContact O-CD1 3.44Å; S621-Y624 WeakPolarHBondContact O-CE1 3.4Å; G622-Y624 VanDerWaalsContact C-N 3.34Å; G622-Y624 PolarHBondContact O-N 3.3Å; Y624-Q627 WeakPolarHBondContact O-CB 3.39Å; Y624-Q627 PolarHBondContact O-N 3.13Å; Y624-S628 VanDerWaalsContact O-CB 3.27Å; Y624-S628 WeakPolarHBondContact O-CB 3.1Å; Y624-S628 PolarHBondContact O-N 2.96Å
625	I	55.7	Low	41.9	Very low	1 Å²	1	73.7 Å²	73.7	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-72.7	-44	-179.3	-66.5	169.1	0	0	0	109.2	L353 L461 F463 G622 D623 Q627 S628 L629	L353-I625 HydrophobicContact CD2-CG2 4.19Å; L461-I625 HydrophobicContact CD2-CD1 3.07Å; L461-I625 HydrophobicContact CD2-CG1 4.41Å; F463-I625 HydrophobicContact CE2-CG2 4.12Å; F463-I625 HydrophobicContact CZ-CG2 3.9Å; G622-I625 PolarHBondContact O-N 2.77Å; D623-I625 VanDerWaalsContact C-N 3.34Å; D623-I625 PolarHBondContact O-N 3.17Å; I625-Q627 VanDerWaalsContact C-N 3.3Å; I625-Q627 PolarHBondContact O-N 2.75Å; I625-S628 CarbonylContact O-C 3.47Å; I625-S628 PolarHBondContact O-N 2.72Å; I625-S628 VanDerWaalsContact O-N 3.15Å; I625-L629 HydrophobicContact CG2-CD1 3.82Å; I625-L629 HydrophobicContact CG2-CG 4.29Å; I625-L629 WeakPolarHBondContact O-CB 3.46Å; I625-L629 WeakPolarHBondContact O-CG 3.45Å; I625-L629 PolarHBondContact O-N 3.11Å
626	L	55.1	Low	42.2	Very low	6 Å²	6	72.1 Å²	72.1	3%	0.031	37%	0.367	C	S	.	.	H	α-helix	trans	-64.4	-39.8	175.4	-156.3	80.7	0	0	0	110.8	L282 V528 K529 V532 G622 S628 L629 L630 A653	L282-L626 HydrophobicContact CD2-CD1 3.65Å; V528-L626 HydrophobicContact CB-CD2 3.63Å; V528-L626 HydrophobicContact CG1-CB 4.47Å; V528-L626 HydrophobicContact CG1-CD2 3.41Å; V528-L626 VanDerWaalsContact CG1-CD2 3.41Å; K529-L626 HydrophobicContact CB-CD2 4.43Å; V532-L626 HydrophobicContact CG2-CD2 4.47Å; G622-L626 PolarHBondContact O-N 3.35Å; L626-S628 VanDerWaalsContact C-N 3.35Å; L626-S628 PolarHBondContact O-N 3.15Å; L626-L629 PolarHBondContact O-N 2.93Å; L626-L630 HydrophobicContact CD2-CD1 4.19Å; L626-L630 HydrophobicContact CG-CD1 4.06Å; L626-L630 HydrophobicContact CG-CG 4.5Å; L626-L630 VanDerWaalsContact O-CB 3.27Å; L626-L630 WeakPolarHBondContact O-CB 3.35Å; L626-L630 WeakPolarHBondContact O-CD1 3.4Å; L626-L630 WeakPolarHBondContact O-CG 3.28Å; L626-L630 PolarHBondContact O-N 2.84Å; L626-A653 HydrophobicContact CD1-CB 3.53Å; L626-A653 HydrophobicContact CD2-CB 3.71Å; L626-A653 HydrophobicContact CG-CB 4.27Å
627	Q	49.4	Very low	42.4	Very low	45 Å²	45	66.7 Å²	66.7	21%	0.21	34%	0.342	C	S	.	.	H	α-helix	trans	-57.4	-45.8	169.8	-80.8	178	35.3	0	0	112.4	V532 M536 D623 Y624 I625 R631	V532-Q627 HydrophobicContact CB-CG 4.21Å; V532-Q627 HydrophobicContact CG1-CB 4.23Å; V532-Q627 HydrophobicContact CG1-CG 3.32Å; V532-Q627 HydrophobicContact CG2-CG 3.9Å; M536-Q627 HydrophobicContact CE-CB 3.73Å; M536-Q627 HydrophobicContact CE-CG 3.73Å; M536-Q627 WeakPolarHBondContact CE-O 3.47Å; D623-Q627 WeakPolarHBondContact O-CB 3.38Å; D623-Q627 VanDerWaalsContact O-CG 3.26Å; D623-Q627 WeakPolarHBondContact O-CG 3.17Å; D623-Q627 PolarHBondContact O-N 2.85Å; Y624-Q627 WeakPolarHBondContact O-CB 3.39Å; Y624-Q627 PolarHBondContact O-N 3.13Å; I625-Q627 VanDerWaalsContact C-N 3.3Å; I625-Q627 PolarHBondContact O-N 2.75Å; Q627-R631 VanDerWaalsContact O-CB 3.26Å; Q627-R631 WeakPolarHBondContact O-CB 3.5Å; Q627-R631 VanDerWaalsContact O-CG 3.27Å; Q627-R631 WeakPolarHBondContact O-CG 3.36Å; Q627-R631 PolarHBondContact O-N 3.07Å
628	S	50.1	Low	42.5	Very low	29 Å²	29	62.8 Å²	62.8	20%	0.203	33%	0.326	C	S	.	.	H	α-helix	trans	-68.6	-41.3	-179.2	-170.8	0	0	0	0	111.6	Y624 I625 L626 R631 T632	Y624-S628 VanDerWaalsContact O-CB 3.27Å; Y624-S628 WeakPolarHBondContact O-CB 3.1Å; Y624-S628 PolarHBondContact O-N 2.96Å; I625-S628 CarbonylContact O-C 3.47Å; I625-S628 PolarHBondContact O-N 2.72Å; I625-S628 VanDerWaalsContact O-N 3.15Å; L626-S628 VanDerWaalsContact C-N 3.35Å; L626-S628 PolarHBondContact O-N 3.15Å; S628-R631 CarbonylContact O-C 3.57Å; S628-R631 PolarHBondContact O-N 3.27Å; S628-T632 WeakPolarHBondContact O-CA 3.4Å; S628-T632 WeakPolarHBondContact O-CB 3.26Å; S628-T632 PolarHBondContact O-N 2.88Å; S628-T632 PolarHBondContact O-OG1 2.83Å
629	L	53.8	Low	42.4	Very low	1 Å²	1	62.7 Å²	62.7	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-63.9	-49	174.4	-75	167	0	0	0	110.5	M350 I625 L626 R631 T632 T633 I650	M350-L629 HydrophobicContact CB-CD2 4.46Å; M350-L629 HydrophobicContact CG-CD1 3.92Å; M350-L629 HydrophobicContact CG-CD2 3.55Å; M350-L629 HydrophobicContact CG-CG 4.36Å; I625-L629 HydrophobicContact CG2-CD1 3.82Å; I625-L629 HydrophobicContact CG2-CG 4.29Å; I625-L629 WeakPolarHBondContact O-CB 3.46Å; I625-L629 WeakPolarHBondContact O-CG 3.45Å; I625-L629 PolarHBondContact O-N 3.11Å; L626-L629 PolarHBondContact O-N 2.93Å; L629-R631 VanDerWaalsContact C-N 3.27Å; L629-R631 PolarHBondContact O-N 2.93Å; L629-T632 PolarHBondContact O-N 3.31Å; L629-T633 VanDerWaalsContact O-CB 3.24Å; L629-T633 WeakPolarHBondContact O-CB 3.43Å; L629-T633 PolarHBondContact O-N 3.5Å; L629-T633 PolarHBondContact O-OG1 3.27Å; L629-I650 HydrophobicContact CB-CD1 4.02Å; L629-I650 HydrophobicContact CD1-CD1 4.45Å
630	L	52.5	Low	42	Very low	14 Å²	14	62.6 Å²	62.6	7%	0.073	33%	0.332	C	S	.	.	H	α-helix	trans	-60.2	-37.3	176.2	-69.5	166.2	0	0	0	111.8	K529 V532 L626 S634	K529-L630 HydrophobicContact CB-CD1 4.49Å; K529-L630 HydrophobicContact CD-CD2 4.07Å; K529-L630 HydrophobicContact CG-CD1 3.99Å; K529-L630 HydrophobicContact CG-CD2 4.01Å; V532-L630 HydrophobicContact CB-CD1 4.28Å; V532-L630 HydrophobicContact CG1-CD1 3.71Å; L626-L630 HydrophobicContact CD2-CD1 4.19Å; L626-L630 HydrophobicContact CG-CD1 4.06Å; L626-L630 HydrophobicContact CG-CG 4.5Å; L626-L630 VanDerWaalsContact O-CB 3.27Å; L626-L630 WeakPolarHBondContact O-CB 3.35Å; L626-L630 WeakPolarHBondContact O-CD1 3.4Å; L626-L630 WeakPolarHBondContact O-CG 3.28Å; L626-L630 PolarHBondContact O-N 2.84Å; L630-S634 VanDerWaalsContact O-CB 3.29Å; L630-S634 WeakPolarHBondContact O-CB 3.42Å; L630-S634 PolarHBondContact O-N 3.04Å; L630-S634 VanDerWaalsContact O-N 3.16Å; L630-S634 PolarHBondContact O-OG 3.38Å
631	R	44.9	Very low	41.5	Very low	124 Å²	124	65.5 Å²	65.5	47%	0.468	34%	0.335	S	S	.	.	H	α-helix	trans	-70.6	-42.9	173.6	-80.7	172.7	179.5	176.7	2.5	113.3	M536 Q627 S628 L629 S634 R635	M536-R631 HydrophobicContact CE-CG 3.65Å; M536-R631 HydrophobicContact SD-CG 4.12Å; Q627-R631 VanDerWaalsContact O-CB 3.26Å; Q627-R631 WeakPolarHBondContact O-CB 3.5Å; Q627-R631 VanDerWaalsContact O-CG 3.27Å; Q627-R631 WeakPolarHBondContact O-CG 3.36Å; Q627-R631 PolarHBondContact O-N 3.07Å; S628-R631 CarbonylContact O-C 3.57Å; S628-R631 PolarHBondContact O-N 3.27Å; L629-R631 VanDerWaalsContact C-N 3.27Å; L629-R631 PolarHBondContact O-N 2.93Å; R631-S634 PolarHBondContact O-N 2.7Å; R631-R635 WeakPolarHBondContact O-CB 3.38Å; R631-R635 PolarHBondContact O-N 2.89Å
632	T	41.6	Very low	41	Very low	51 Å²	51	69.7 Å²	69.7	31%	0.313	35%	0.352	S	S	.	.	H	α-helix	trans	-76.4	-42.2	-174	-57	0	0	0	0	110.6	S628 L629 S634 R635 S636	S628-T632 WeakPolarHBondContact O-CA 3.4Å; S628-T632 WeakPolarHBondContact O-CB 3.26Å; S628-T632 PolarHBondContact O-N 2.88Å; S628-T632 PolarHBondContact O-OG1 2.83Å; L629-T632 PolarHBondContact O-N 3.31Å; T632-S634 VanDerWaalsContact C-N 3.28Å; T632-S634 PolarHBondContact O-N 2.82Å; T632-R635 PolarHBondContact O-N 3.42Å; T632-S636 PolarHBondContact O-N 3.24Å
633	T	41	Very low	40.4	Very low	5 Å²	5	78 Å²	78	3%	0.031	38%	0.381	C	S	.	.	H	α-helix	trans	-60.3	-41.4	169.3	-52.5	0	0	0	0	109.8	L629 Y637 A649	L629-T633 VanDerWaalsContact O-CB 3.24Å; L629-T633 WeakPolarHBondContact O-CB 3.43Å; L629-T633 PolarHBondContact O-N 3.5Å; L629-T633 PolarHBondContact O-OG1 3.27Å; T633-Y637 HydrophobicContact CG2-CD2 4.34Å; T633-Y637 HydrophobicContact CG2-CE2 4.39Å; T633-Y637 VanDerWaalsContact O-CD2 3.27Å; T633-Y637 WeakPolarHBondContact O-CD2 3.48Å; T633-Y637 PolarHBondContact O-N 3.01Å; T633-A649 HydrophobicContact CG2-CB 3.88Å
634	S	34.4	Very low	39.2	Very low	64 Å²	64	80.5 Å²	80.5	45%	0.448	41%	0.412	S	S	.	.	H	α-helix	trans	-62.8	-44.1	172.8	-63.3	0	0	0	0	112.6	L630 R631 T632 Y637 I638	L630-S634 VanDerWaalsContact O-CB 3.29Å; L630-S634 WeakPolarHBondContact O-CB 3.42Å; L630-S634 PolarHBondContact O-N 3.04Å; L630-S634 VanDerWaalsContact O-N 3.16Å; L630-S634 PolarHBondContact O-OG 3.38Å; R631-S634 PolarHBondContact O-N 2.7Å; T632-S634 VanDerWaalsContact C-N 3.28Å; T632-S634 PolarHBondContact O-N 2.82Å; S634-Y637 PolarHBondContact O-N 3.27Å; S634-I638 WeakPolarHBondContact O-CG1 3.49Å; S634-I638 PolarHBondContact O-N 3.4Å; S634-I638 VanDerWaalsContact O-N 3.1Å
635	R	30.7	Very low	37.7	Very low	193 Å²	193	86.2 Å²	86.2	73%	0.728	44%	0.435	S	S	*	.	H	α-helix	trans	-67.1	-41.5	-178.6	-85.3	-176.9	171.9	163.2	-2.8	113.8	R631 T632 Y637 I638	R631-R635 WeakPolarHBondContact O-CB 3.38Å; R631-R635 PolarHBondContact O-N 2.89Å; T632-R635 PolarHBondContact O-N 3.42Å; R635-Y637 PolarHBondContact O-N 2.9Å; R635-I638 HydrophobicContact CG-CD1 4.42Å; R635-I638 PolarHBondContact O-N 2.9Å; R635-I638 VanDerWaalsContact O-N 3.16Å
636	S	33.1	Very low	36.3	Very low	76 Å²	76	95.8 Å²	95.8	53%	0.531	48%	0.479	S	S	.	.	H	α-helix	trans	-63.5	-27.2	177.8	-151.2	0	0	0	0	111.6	T632	T632-S636 PolarHBondContact O-N 3.24Å
637	Y	28.8	Very low	35.4	Very low	76 Å²	76	99 Å²	99	30%	0.298	50%	0.496	S	S	.	.	H	α-helix	trans	-90	-12.2	176.3	-84.8	-91.8	0	0	0	114.9	T633 S634 R635 C639 L640 I647	T633-Y637 HydrophobicContact CG2-CD2 4.34Å; T633-Y637 HydrophobicContact CG2-CE2 4.39Å; T633-Y637 VanDerWaalsContact O-CD2 3.27Å; T633-Y637 WeakPolarHBondContact O-CD2 3.48Å; T633-Y637 PolarHBondContact O-N 3.01Å; S634-Y637 PolarHBondContact O-N 3.27Å; R635-Y637 PolarHBondContact O-N 2.9Å; Y637-C639 PolarHBondContact O-N 3.45Å; Y637-C639 VanDerWaalsContact O-N 3.12Å; Y637-L640 PolarHBondContact O-N 3.49Å; Y637-I647 HydrophobicContact CE1-CB 4.12Å
638	I	26.8	Very low	35.5	Very low	104 Å²	104	98.7 Å²	98.7	53%	0.533	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-62.2	-20.9	176.5	-77	166.1	0	0	0	111.9	S634 R635 L640	S634-I638 WeakPolarHBondContact O-CG1 3.49Å; S634-I638 PolarHBondContact O-N 3.4Å; S634-I638 VanDerWaalsContact O-N 3.1Å; R635-I638 HydrophobicContact CG-CD1 4.42Å; R635-I638 PolarHBondContact O-N 2.9Å; R635-I638 VanDerWaalsContact O-N 3.16Å; I638-L640 PolarHBondContact O-N 2.96Å
639	C	28.7	Very low	35.8	Very low	120 Å²	120	97.6 Å²	97.6	81%	0.811	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-71.2	-10.4	169.9	-80.6	0	0	0	0	114.8	Y637	Y637-C639 PolarHBondContact O-N 3.45Å; Y637-C639 VanDerWaalsContact O-N 3.12Å
640	L	28	Very low	36	Very low	121 Å²	121	97.6 Å²	97.6	63%	0.634	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-109.5	25.3	179.8	-87.1	157.2	0	0	0	113.2	Y637 I638 I642	Y637-L640 PolarHBondContact O-N 3.49Å; I638-L640 PolarHBondContact O-N 2.96Å; L640-I642 PolarHBondContact O-N 3.14Å
641	K	25.9	Very low	36	Very low	177 Å²	177	97.8 Å²	97.8	77%	0.77	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	2.4	177.9	-128.1	-179.9	-175.4	-178.3	0	115.4
642	I	30.3	Very low	37.1	Very low	140 Å²	140	91.9 Å²	91.9	72%	0.718	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-16.3	-178.4	-62.8	-180	0	0	0	112.8	L640	L640-I642 PolarHBondContact O-N 3.14Å
643	Y	29.2	Very low	38.2	Very low	189 Å²	189	89.6 Å²	89.6	74%	0.741	46%	0.456	S	S	*	.	S	Bend	trans	-129.6	29.9	-177.8	-71.9	-74.1	0	0	0	116.7	Y645	Y643-Y645 WeakPolarHBondContact O-CD2 3.4Å; Y643-Y645 PolarHBondContact O-N 3.35Å
644	G	25.3	Very low	39.7	Very low	78 Å²	78	89.4 Å²	89.4	80%	0.804	46%	0.455	S	S	*	.			trans	65.2	9.2	157.5	0	0	0	0	0	118.6
645	Y	26.9	Very low	41.4	Very low	197 Å²	197	87.3 Å²	87.3	77%	0.773	44%	0.441	S	S	*	.			trans	-107.5	106.8	176.2	-71.7	-80.1	0	0	0	111.2	Y643 I647	Y643-Y645 WeakPolarHBondContact O-CD2 3.4Å; Y643-Y645 PolarHBondContact O-N 3.35Å; Y645-I647 PolarHBondContact O-N 2.89Å; Y645-I647 VanDerWaalsContact O-N 3.09Å
646	E	26.8	Very low	43.2	Very low	202 Å²	202	79 Å²	79	94%	0.944	41%	0.41	S	S	*	.			trans	-72.4	89.3	168	-72.2	-176.5	161.5	0	0	109.6	S648	E646-S648 PolarHBondContact O-N 3.32Å
647	I	35.4	Very low	45	Very low	73 Å²	73	78.7 Å²	78.7	37%	0.374	40%	0.402	S	S	.	.			trans	-95.2	88.8	177.6	-54.9	173	0	0	0	108.6	Y637 Y645 A649	Y637-I647 HydrophobicContact CE1-CB 4.12Å; Y645-I647 PolarHBondContact O-N 2.89Å; Y645-I647 VanDerWaalsContact O-N 3.09Å; I647-A649 PolarHBondContact O-N 2.97Å
648	S	51.2	Low	46.7	Very low	38 Å²	38	79.2 Å²	79.2	27%	0.266	41%	0.408	S	S	.	.			trans	-71.9	108.9	161.3	68.4	0	0	0	0	107.9	K529 E646 I650	K529-S648 PolarHBondContact NZ-OG 3.35Å; E646-S648 PolarHBondContact O-N 3.32Å; S648-I650 CarbonylContact O-C 3.58Å; S648-I650 PolarHBondContact O-N 2.92Å; S648-I650 PolarHBondContact OG-O 3.4Å; S648-I650 VanDerWaalsContact OG-O 3.12Å
649	A	56.7	Low	48.3	Very low	6 Å²	6	74.6 Å²	74.6	5%	0.05	38%	0.384	C	S	.	.	S	Bend	trans	-55.5	-23.6	-179.8	0	0	0	0	0	113.9	Q285 V345 V346 T633 I647	Q285-A649 PolarHBondContact N-O 3.45Å; V345-A649 HydrophobicContact CG1-CB 4.33Å; V346-A649 HydrophobicContact CG2-CB 4.12Å; T633-A649 HydrophobicContact CG2-CB 3.88Å; I647-A649 PolarHBondContact O-N 2.97Å
650	I	56.8	Low	50	Low	2 Å²	2	69.8 Å²	69.8	1%	0.01	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	115.6	171.9	-57.2	172	0	0	0	108.5	F283 V346 K529 L629 S648	F283-I650 CarbonylContact O-C 3.57Å; F283-I650 WeakPolarHBondContact O-CA 3.24Å; V346-I650 HydrophobicContact CG1-CD1 4.25Å; V346-I650 HydrophobicContact CG1-CG1 4.25Å; V346-I650 HydrophobicContact CG2-CG1 3.79Å; K529-I650 PolarHBondContact NZ-O 2.8Å; L629-I650 HydrophobicContact CB-CD1 4.02Å; L629-I650 HydrophobicContact CD1-CD1 4.45Å; S648-I650 CarbonylContact O-C 3.58Å; S648-I650 PolarHBondContact O-N 2.92Å; S648-I650 PolarHBondContact OG-O 3.4Å; S648-I650 VanDerWaalsContact OG-O 3.12Å
651	D	53.6	Low	51.4	Low	18 Å²	18	69.6 Å²	69.6	10%	0.096	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-50.7	178.9	-155.5	18	0	0	0	110.8	F283 Q285 S468 N516 K529	F283-D651 HydrophobicContact CB-CB 4.08Å; F283-D651 WeakPolarHBondContact O-CB 3.36Å; F283-D651 PolarHBondContact O-N 2.91Å; Q285-D651 HydrophobicContact CG-CB 3.74Å; Q285-D651 PolarHBondContact NE2-OD1 2.82Å; S468-D651 VanDerWaalsContact CB-OD2 3.3Å; S468-D651 WeakPolarHBondContact CB-OD2 2.97Å; S468-D651 WeakPolarHBondContact OG-CB 3.32Å; S468-D651 PolarHBondContact OG-OD2 3.03Å; N516-D651 PolarHBondContact ND2-OD2 3.13Å; N516-D651 PolarHBondContact OD1-OD2 2.84Å; N516-D651 VanDerWaalsContact OD1-OD2 3.09Å; K529-D651 VanDerWaalsContact CD-O 3.31Å; K529-D651 WeakPolarHBondContact CD-O 3.43Å; K529-D651 PolarHBondContact NZ-O 3.47Å
652	S	67.2	Low	52.6	Low	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	163.1	179.2	60.7	0	0	0	0	112.3	F283 N516	F283-S652 WeakPolarHBondContact CB-OG 2.92Å; F283-S652 WeakPolarHBondContact CD2-OG 3.3Å; F283-S652 WeakPolarHBondContact CG-OG 3.32Å; F283-S652 PolarHBondContact N-O 3.14Å; N516-S652 PolarHBondContact ND2-OG 3.1Å; N516-S652 PolarHBondContact OD1-OG 2.89Å
653	A	66.1	Low	53.1	Low	3 Å²	3	58 Å²	58	3%	0.025	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	136	171.5	0	0	0	0	0	109.7	V281 L282 V528 L626	V281-A653 VanDerWaalsContact O-CA 3.24Å; V281-A653 WeakPolarHBondContact O-CA 3.29Å; L282-A653 HydrophobicContact CD2-CB 3.7Å; V528-A653 PolarHBondContact N-O 2.94Å; L626-A653 HydrophobicContact CD1-CB 3.53Å; L626-A653 HydrophobicContact CD2-CB 3.71Å; L626-A653 HydrophobicContact CG-CB 4.27Å
654	L	71.2	Confident	53.9	Low	1 Å²	1	52.6 Å²	52.6	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.7	-179.4	-64.7	174.8	0	0	0	109.9	V281 F283 T518 I659	V281-L654 PolarHBondContact N-O 3.18Å; V281-L654 PolarHBondContact O-N 3.39Å; F283-L654 HydrophobicContact CE2-CD1 3.9Å; F283-L654 HydrophobicContact CE2-CG 4.27Å; T518-L654 HydrophobicContact CG2-CD1 3.95Å; L654-I659 HydrophobicContact CB-CD1 4.17Å; L654-I659 HydrophobicContact CD1-CD1 4.25Å
655	S	70.9	Confident	54.3	Low	20 Å²	20	54.6 Å²	54.6	14%	0.14	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	125.9	168.1	176.8	0	0	0	0	109.9	D657 I659	S655-D657 VanDerWaalsContact C-N 3.32Å; S655-I659 WeakPolarHBondContact O-CG1 3.46Å
656	H	68.8	Low	54.9	Low	17 Å²	17	53.7 Å²	53.7	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-68.3	-35.1	178.7	-172	60.5	0	0	0	111.6	D279 V281 Y476 I659 I660	D279-H656 HydrophobicContact CB-CB 4.02Å; D279-H656 PolarHBondContact O-N 2.99Å; D279-H656 IonicContact OD2-CD2 2.92Å; D279-H656 PolarHBondContact OD2-CD2 3.34Å; D279-H656 IonicContact OD2-CG 3.9Å; V281-H656 HydrophobicContact CG2-CB 4.04Å; Y476-H656 AromaticContact CE2-CE1 3.8Å; Y476-H656 AromaticContact CE2-ND1 3.77Å; Y476-H656 AromaticContact CZ-ND1 3.72Å; Y476-H656 PolarHBondContact OH-ND1 3.32Å; H656-I659 WeakPolarHBondContact O-CB 3.46Å; H656-I659 PolarHBondContact O-N 3.48Å; H656-I660 PolarHBondContact O-N 3.05Å
657	D	70.6	Confident	55.3	Low	71 Å²	71	51.5 Å²	51.5	38%	0.38	29%	0.286	S	S	.	.	H	α-helix	trans	-67.7	-40.9	-177.8	-63.1	-39.1	0	0	0	111.5	S655 I659 I660 D661	S655-D657 VanDerWaalsContact C-N 3.32Å; D657-I659 PolarHBondContact O-N 3.01Å; D657-I660 PolarHBondContact O-N 2.97Å; D657-D661 PolarHBondContact O-N 3.29Å
658	Q	63.7	Low	56	Low	87 Å²	87	52.4 Å²	52.4	41%	0.407	29%	0.291	S	S	.	.	H	α-helix	trans	-63.6	-29.4	176.3	-71.4	-175.6	-21.7	0	0	113.1	A525 D526 I660	A525-Q658 HydrophobicContact CB-CB 4.47Å; D526-Q658 VanDerWaalsContact N-OE1 3.17Å; D526-Q658 PolarHBondContact OD2-NE2 2.81Å; Q658-I660 VanDerWaalsContact C-N 3.28Å; Q658-I660 PolarHBondContact O-N 3.33Å
659	I	61.9	Low	56.2	Low	6 Å²	6	55.9 Å²	55.9	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-67.2	-33.1	175.7	-69.4	168.4	0	0	0	110.7	I480 F484 F522 A525 L654 S655 H656 D657	I480-I659 HydrophobicContact CD1-CG2 3.88Å; I480-I659 HydrophobicContact CG1-CG2 4.25Å; I480-I659 HydrophobicContact CG2-CG2 4.12Å; F484-I659 WeakPolarHBondContact CZ-O 3.4Å; F522-I659 HydrophobicContact CD1-CG1 4.32Å; F522-I659 HydrophobicContact CD1-CG2 4.05Å; F522-I659 HydrophobicContact CD2-CG1 4.44Å; F522-I659 HydrophobicContact CD2-CG2 4.43Å; F522-I659 HydrophobicContact CE1-CG2 3.59Å; F522-I659 HydrophobicContact CE2-CG2 3.99Å; F522-I659 HydrophobicContact CG-CG1 4.19Å; F522-I659 HydrophobicContact CG-CG2 4.45Å; F522-I659 HydrophobicContact CZ-CG2 3.54Å; A525-I659 HydrophobicContact CB-CG1 4.29Å; L654-I659 HydrophobicContact CB-CD1 4.17Å; L654-I659 HydrophobicContact CD1-CD1 4.25Å; S655-I659 WeakPolarHBondContact O-CG1 3.46Å; H656-I659 WeakPolarHBondContact O-CB 3.46Å; H656-I659 PolarHBondContact O-N 3.48Å; D657-I659 PolarHBondContact O-N 3.01Å
660	I	63.1	Low	56.2	Low	19 Å²	19	60.4 Å²	60.4	10%	0.097	33%	0.334	C	S	.	.	H	α-helix	trans	-84.3	-27.7	-171.8	-65	171	0	0	0	112.8	Q483 F484 N487 Q495 H656 D657 Q658 G662	Q483-I660 HydrophobicContact CG-CD1 4.36Å; F484-I660 WeakPolarHBondContact CE1-O 3.34Å; N487-I660 VanDerWaalsContact ND2-CG2 3.28Å; N487-I660 WeakPolarHBondContact ND2-CG2 3.49Å; Q495-I660 PolarHBondContact NE2-O 2.7Å; H656-I660 PolarHBondContact O-N 3.05Å; D657-I660 PolarHBondContact O-N 2.97Å; Q658-I660 VanDerWaalsContact C-N 3.28Å; Q658-I660 PolarHBondContact O-N 3.33Å; I660-G662 PolarHBondContact O-N 3.2Å
661	D	58.7	Low	56.7	Low	118 Å²	118	63.3 Å²	63.3	63%	0.631	35%	0.35	S	S	*	.			trans	-94.1	10.3	-165.5	-73.8	-21.5	0	0	0	116.4	D657 A663	D657-D661 PolarHBondContact O-N 3.29Å; D661-A663 PolarHBondContact O-N 2.73Å
662	G	49.9	Very low	57.6	Low	20 Å²	20	70.2 Å²	70.2	21%	0.206	38%	0.384	C	S	.	.			trans	-71.6	119.4	179.9	0	0	0	0	0	115.1	Q495 K496 I660	Q495-G662 PolarHBondContact NE2-O 3Å; K496-G662 WeakPolarHBondContact CG-O 3.42Å; K496-G662 PolarHBondContact N-O 3.36Å; I660-G662 PolarHBondContact O-N 3.2Å
663	A	42	Very low	58.1	Low	53 Å²	53	73.9 Å²	73.9	44%	0.438	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-104.1	162.3	170.6	0	0	0	0	0	112.3	K496 D661	K496-A663 WeakPolarHBondContact CE-O 3.34Å; D661-A663 PolarHBondContact O-N 2.73Å
664	V	44.3	Very low	58.6	Low	75 Å²	75	73.7 Å²	73.7	46%	0.455	40%	0.399	S	S	.	.			trans	-129.5	133.5	172.3	-174.4	0	0	0	0	108.9	K496	K496-V664 HydrophobicContact CD-CG2 4.41Å; K496-V664 HydrophobicContact CG-CG2 3.49Å; K496-V664 VanDerWaalsContact CG-CG2 3.49Å
665	D	34.2	Very low	58.9	Low	120 Å²	120	76 Å²	76	64%	0.642	41%	0.411	S	S	*	.			trans	-112.1	113.5	170.7	-68.4	-51.2	0	0	0	109.3	R494	R494-D665 IonicContact NH1-OD1 3.5Å; R494-D665 PolarHBondContact NH1-OD1 3.5Å
666	E	39	Very low	59.4	Low	178 Å²	178	82.9 Å²	82.9	83%	0.832	43%	0.434	S	S	*	.			trans	-145	124	161.6	-73.7	-167.3	162.7	0	0	109.2
667	D	36.2	Very low	60.1	Low	156 Å²	156	85 Å²	85	83%	0.834	45%	0.445	S	S	*	.			trans	-92.7	128.9	173.1	-72.1	-46.3	0	0	0	109.7
668	D	49.8	Very low	60.5	Low	92 Å²	92	81.6 Å²	81.6	49%	0.492	43%	0.428	S	S	.	.			trans	-156.1	143.8	-177.6	171.9	66.2	0	0	0	111.5	K243 M670	K243-D668 PolarHBondContact NZ-O 2.57Å; K243-D668 IonicContact NZ-OD2 3.57Å; K243-D668 PolarHBondContact NZ-OD2 3Å; D668-M670 VanDerWaalsContact C-N 3.35Å; D668-M670 PolarHBondContact O-N 3.04Å; D668-M670 VanDerWaalsContact O-N 3.13Å
669	P	54.7	Low	61.4	Low	111 Å²	111	84.6 Å²	84.6	72%	0.721	44%	0.439	S	S	*	.	S	Bend	trans	-78.2	-0.7	-158.2	-6.7	22.5	0	0	0	116.7	D671	P669-D671 PolarHBondContact O-N 3.37Å
670	M	56.7	Low	62.5	Low	101 Å²	101	88.7 Å²	88.7	50%	0.498	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	26.5	179.5	-72	-92.9	-74.5	0	0	115.1	L240 K243 D668	L240-M670 HydrophobicContact CB-CE 4.47Å; K243-M670 HydrophobicContact CD-CB 4.22Å; D668-M670 VanDerWaalsContact C-N 3.35Å; D668-M670 PolarHBondContact O-N 3.04Å; D668-M670 VanDerWaalsContact O-N 3.13Å
671	D	67.3	Low	63.4	Low	63 Å²	63	87.9 Å²	87.9	34%	0.337	46%	0.455	S	S	.	.	H	α-helix	trans	-84.1	-22.4	-167.4	-131.4	-2.9	0	0	0	113.5	R247 P669 N675	R247-D671 IonicContact CZ-OD1 3.68Å; R247-D671 IonicContact CZ-OD2 2.94Å; R247-D671 IonicContact NE-OD1 3.6Å; R247-D671 PolarHBondContact NE-OD1 3.41Å; R247-D671 IonicContact NH2-OD1 3.48Å; R247-D671 PolarHBondContact NH2-OD1 3.05Å; R247-D671 IonicContact NH2-OD2 3.46Å; R247-D671 PolarHBondContact NH2-OD2 3.13Å; P669-D671 PolarHBondContact O-N 3.37Å; D671-N675 WeakPolarHBondContact O-CB 3.26Å; D671-N675 PolarHBondContact O-N 3.32Å; D671-N675 PolarHBondContact O-ND2 3.4Å
672	M	72.5	Confident	64.5	Low	164 Å²	164	83.8 Å²	83.8	81%	0.808	43%	0.433	S	S	*	.	H	α-helix	trans	-69	-46	-179.1	-82.6	-166.6	-80.3	0	0	113.3	N675 R676	M672-N675 WeakPolarHBondContact O-CB 3.32Å; M672-N675 PolarHBondContact O-N 2.99Å; M672-R676 PolarHBondContact O-N 3.17Å
673	E	77.9	Confident	66	Low	76 Å²	76	88.9 Å²	88.9	36%	0.355	45%	0.449	S	S	.	.	H	α-helix	trans	-69.9	-40.2	-177.5	-174.8	56.9	-159	0	0	111.7	L240 N675 R676 I677	L240-E673 HydrophobicContact CD1-CB 4.2Å; L240-E673 HydrophobicContact CD1-CG 4.21Å; E673-N675 VanDerWaalsContact C-N 3.26Å; E673-N675 PolarHBondContact O-N 3.33Å; E673-R676 WeakPolarHBondContact O-CB 3.44Å; E673-R676 PolarHBondContact O-N 3.12Å; E673-R676 IonicContact OE1-CZ 2.92Å; E673-R676 IonicContact OE1-NE 2.71Å; E673-R676 PolarHBondContact OE1-NE 3.35Å; E673-R676 VanDerWaalsContact OE1-NE 3.15Å; E673-R676 IonicContact OE1-NH2 3.43Å; E673-R676 PolarHBondContact OE1-NH2 3.36Å; E673-R676 IonicContact OE2-CZ 3.93Å; E673-R676 IonicContact OE2-NE 3.46Å; E673-R676 PolarHBondContact OE2-NE 2.97Å; E673-I677 HydrophobicContact CG-CD1 4.19Å; E673-I677 WeakPolarHBondContact O-CG1 3.46Å; E673-I677 PolarHBondContact O-N 2.86Å
674	A	76.5	Confident	68	Low	0 Å²	0	88.5 Å²	88.5	0%	0	44%	0.44	C	S	.	.	H	α-helix	trans	-58	-41.1	173.6	0	0	0	0	0	111.8	L240 K243 R247 A678	L240-A674 HydrophobicContact CD1-CB 4.4Å; K243-A674 HydrophobicContact CB-CB 3.64Å; R247-A674 HydrophobicContact CG-CB 4.27Å; A674-A678 WeakPolarHBondContact O-CB 3.08Å; A674-A678 PolarHBondContact O-N 2.89Å; A674-A678 VanDerWaalsContact O-N 3.09Å
675	N	78.8	Confident	69.9	Low	48 Å²	48	85 Å²	85	26%	0.257	42%	0.418	S	S	.	.	H	α-helix	trans	-65.9	-36.8	174.4	-83.4	-38.2	0	0	0	112.8	R247 D671 M672 E673 K679	R247-N675 WeakPolarHBondContact CD-OD1 3.46Å; R247-N675 WeakPolarHBondContact CG-OD1 3.36Å; R247-N675 PolarHBondContact NE-OD1 3.09Å; R247-N675 VanDerWaalsContact NE-OD1 3.17Å; D671-N675 WeakPolarHBondContact O-CB 3.26Å; D671-N675 PolarHBondContact O-N 3.32Å; D671-N675 PolarHBondContact O-ND2 3.4Å; M672-N675 WeakPolarHBondContact O-CB 3.32Å; M672-N675 PolarHBondContact O-N 2.99Å; E673-N675 VanDerWaalsContact C-N 3.26Å; E673-N675 PolarHBondContact O-N 3.33Å; N675-K679 WeakPolarHBondContact O-CB 3.4Å; N675-K679 VanDerWaalsContact O-CG 3.3Å; N675-K679 WeakPolarHBondContact O-CG 3.48Å; N675-K679 PolarHBondContact O-N 3.35Å
676	R	80.6	Confident	72.2	Confident	165 Å²	165	84.8 Å²	84.8	62%	0.623	41%	0.411	S	S	*	.	H	α-helix	trans	-63.7	-48.2	177.3	-163.6	-177.5	79.1	102.3	3.6	111.3	M672 E673 A678 K679 Q680	M672-R676 PolarHBondContact O-N 3.17Å; E673-R676 WeakPolarHBondContact O-CB 3.44Å; E673-R676 PolarHBondContact O-N 3.12Å; E673-R676 IonicContact OE1-CZ 2.92Å; E673-R676 IonicContact OE1-NE 2.71Å; E673-R676 PolarHBondContact OE1-NE 3.35Å; E673-R676 VanDerWaalsContact OE1-NE 3.15Å; E673-R676 IonicContact OE1-NH2 3.43Å; E673-R676 PolarHBondContact OE1-NH2 3.36Å; E673-R676 IonicContact OE2-CZ 3.93Å; E673-R676 IonicContact OE2-NE 3.46Å; E673-R676 PolarHBondContact OE2-NE 2.97Å; R676-A678 PolarHBondContact O-N 3.28Å; R676-K679 PolarHBondContact O-N 3.22Å; R676-Q680 PolarHBondContact O-N 3.44Å
677	I	82.6	Confident	74.2	Confident	61 Å²	61	82.9 Å²	82.9	31%	0.313	40%	0.4	S	S	.	.	H	α-helix	trans	-60.1	-47	177.9	-62.4	165.9	0	0	0	110.4	T244 E673 K679 Q680 A681	T244-I677 HydrophobicContact CG2-CB 4.04Å; T244-I677 HydrophobicContact CG2-CD1 4.44Å; T244-I677 HydrophobicContact CG2-CG2 3.59Å; E673-I677 HydrophobicContact CG-CD1 4.19Å; E673-I677 WeakPolarHBondContact O-CG1 3.46Å; E673-I677 PolarHBondContact O-N 2.86Å; I677-K679 PolarHBondContact O-N 3.18Å; I677-Q680 PolarHBondContact O-N 3.01Å; I677-A681 PolarHBondContact O-N 3.34Å
678	A	79.8	Confident	76.3	Confident	1 Å²	1	76 Å²	76	1%	0.008	36%	0.364	C	S	.	.	H	α-helix	trans	-64	-38.2	-179.2	0	0	0	0	0	112.8	R247 L251 A674 R676 I682	R247-A678 HydrophobicContact CB-CB 3.67Å; L251-A678 HydrophobicContact CD1-CB 3.56Å; L251-A678 WeakPolarHBondContact CD1-O 3.46Å; A674-A678 WeakPolarHBondContact O-CB 3.08Å; A674-A678 PolarHBondContact O-N 2.89Å; A674-A678 VanDerWaalsContact O-N 3.09Å; R676-A678 PolarHBondContact O-N 3.28Å; A678-I682 PolarHBondContact O-N 2.92Å
679	K	82	Confident	77.9	Confident	150 Å²	150	73.2 Å²	73.2	65%	0.652	35%	0.349	S	S	*	.	H	α-helix	trans	-67.5	-40.6	174.3	-76.7	176.6	-179.2	178.2	0	112.3	N675 R676 I677 A681 I682 K683	N675-K679 WeakPolarHBondContact O-CB 3.4Å; N675-K679 VanDerWaalsContact O-CG 3.3Å; N675-K679 WeakPolarHBondContact O-CG 3.48Å; N675-K679 PolarHBondContact O-N 3.35Å; R676-K679 PolarHBondContact O-N 3.22Å; I677-K679 PolarHBondContact O-N 3.18Å; K679-A681 VanDerWaalsContact C-N 3.33Å; K679-I682 PolarHBondContact O-N 3.15Å; K679-K683 PolarHBondContact O-N 3.29Å; K679-K683 VanDerWaalsContact O-N 3.13Å
680	Q	85.6	Confident	78.9	Confident	91 Å²	91	77 Å²	77	43%	0.425	35%	0.348	S	S	.	.	H	α-helix	trans	-63.7	-41.2	177.2	-175.2	57.9	36.5	0	0	111.4	R676 I677 I682 K683 N684	R676-Q680 PolarHBondContact O-N 3.44Å; I677-Q680 PolarHBondContact O-N 3.01Å; Q680-I682 VanDerWaalsContact C-N 3.31Å; Q680-I682 PolarHBondContact O-N 3.41Å; Q680-K683 WeakPolarHBondContact O-CB 3.5Å; Q680-K683 PolarHBondContact O-N 2.96Å; Q680-N684 PolarHBondContact NE2-OD1 3.19Å; Q680-N684 VanDerWaalsContact NE2-OD1 3.14Å; Q680-N684 PolarHBondContact O-N 2.67Å
681	A	82.4	Confident	79.9	Confident	3 Å²	3	78.1 Å²	78.1	3%	0.025	36%	0.356	C	S	.	.	H	α-helix	trans	-56.1	-43.4	175.2	0	0	0	0	0	112.5	E224 L225 I677 K679 N684 L685	E224-A681 HydrophobicContact CB-CB 3.94Å; E224-A681 WeakPolarHBondContact O-CB 3.4Å; E224-A681 VanDerWaalsContact OE2-CA 3.29Å; E224-A681 WeakPolarHBondContact OE2-CA 3.01Å; L225-A681 HydrophobicContact CD2-CB 4.43Å; I677-A681 PolarHBondContact O-N 3.34Å; K679-A681 VanDerWaalsContact C-N 3.33Å; A681-N684 PolarHBondContact O-N 3.25Å; A681-L685 WeakPolarHBondContact O-CB 3.39Å; A681-L685 PolarHBondContact O-N 3.31Å
682	I	81.3	Confident	80.5	Confident	32 Å²	32	77.4 Å²	77.4	16%	0.164	35%	0.351	C	S	.	.	H	α-helix	trans	-64.1	-41.8	174.4	-73	-177.8	0	0	0	112.2	L251 A678 K679 Q680 N684 L685 K686	L251-I682 HydrophobicContact CB-CD1 3.98Å; L251-I682 HydrophobicContact CD1-CD1 3.58Å; L251-I682 HydrophobicContact CD1-CG1 4.11Å; L251-I682 HydrophobicContact CD2-CD1 3.6Å; L251-I682 HydrophobicContact CG-CD1 3.89Å; A678-I682 PolarHBondContact O-N 2.92Å; K679-I682 PolarHBondContact O-N 3.15Å; Q680-I682 VanDerWaalsContact C-N 3.31Å; Q680-I682 PolarHBondContact O-N 3.41Å; I682-N684 VanDerWaalsContact C-N 3.25Å; I682-N684 PolarHBondContact O-N 3.17Å; I682-L685 PolarHBondContact O-N 2.91Å; I682-K686 HydrophobicContact CG2-CD 4.18Å; I682-K686 HydrophobicContact CG2-CG 4.2Å; I682-K686 WeakPolarHBondContact O-CG 3.3Å; I682-K686 PolarHBondContact O-N 3.06Å
683	K	82.6	Confident	80.6	Confident	127 Å²	127	73.4 Å²	73.4	55%	0.552	33%	0.327	S	S	*	.	H	α-helix	trans	-60	-41.5	-179.4	-171.7	178.7	179	-179.5	0	110.4	K679 Q680	K679-K683 PolarHBondContact O-N 3.29Å; K679-K683 VanDerWaalsContact O-N 3.13Å; Q680-K683 WeakPolarHBondContact O-CB 3.5Å; Q680-K683 PolarHBondContact O-N 2.96Å
684	N	83.7	Confident	80.3	Confident	45 Å²	45	78.5 Å²	78.5	24%	0.241	34%	0.343	C	S	.	.	H	α-helix	trans	-66.4	-44.4	174.5	-68.3	-8.9	0	0	0	111.3	E224 Q680 A681 I682 K686 K687	E224-N684 HydrophobicContact CG-CB 4.05Å; E224-N684 WeakPolarHBondContact OE1-CB 3.35Å; E224-N684 PolarHBondContact OE1-ND2 3.47Å; Q680-N684 PolarHBondContact NE2-OD1 3.19Å; Q680-N684 VanDerWaalsContact NE2-OD1 3.14Å; Q680-N684 PolarHBondContact O-N 2.67Å; A681-N684 PolarHBondContact O-N 3.25Å; I682-N684 VanDerWaalsContact C-N 3.25Å; I682-N684 PolarHBondContact O-N 3.17Å; N684-K686 VanDerWaalsContact C-N 3.33Å; N684-K686 PolarHBondContact O-N 3.24Å; N684-K687 PolarHBondContact O-N 3.07Å
685	L	83.4	Confident	79.9	Confident	1 Å²	1	87.6 Å²	87.6	1%	0.005	38%	0.377	C	S	.	.	H	α-helix	trans	-59.7	-41.5	177.8	-154.5	70.5	0	0	0	112.3	L215 T220 F221 L225 A681 I682 K687 S688 Q689	L215-L685 WeakPolarHBondContact O-CD1 3.43Å; L215-L685 WeakPolarHBondContact O-CG 3.29Å; T220-L685 HydrophobicContact CG2-CD1 4.12Å; F221-L685 HydrophobicContact CB-CD1 4.27Å; L225-L685 HydrophobicContact CD1-CD2 3.91Å; A681-L685 WeakPolarHBondContact O-CB 3.39Å; A681-L685 PolarHBondContact O-N 3.31Å; I682-L685 PolarHBondContact O-N 2.91Å; L685-K687 VanDerWaalsContact C-N 3.27Å; L685-K687 PolarHBondContact O-N 3.13Å; L685-S688 WeakPolarHBondContact O-CB 3.35Å; L685-S688 PolarHBondContact O-N 3.17Å; L685-S688 VanDerWaalsContact O-N 3.12Å; L685-Q689 VanDerWaalsContact O-CG 3.23Å; L685-Q689 WeakPolarHBondContact O-CG 3.3Å; L685-Q689 PolarHBondContact O-N 3.2Å
686	K	83.1	Confident	79.6	Confident	115 Å²	115	86.6 Å²	86.6	50%	0.5	37%	0.371	S	S	.	.	H	α-helix	trans	-60.1	-32.5	179.6	-79.5	-176.7	177.1	-176	0	113.2	I682 N684 R690	I682-K686 HydrophobicContact CG2-CD 4.18Å; I682-K686 HydrophobicContact CG2-CG 4.2Å; I682-K686 WeakPolarHBondContact O-CG 3.3Å; I682-K686 PolarHBondContact O-N 3.06Å; N684-K686 VanDerWaalsContact C-N 3.33Å; N684-K686 PolarHBondContact O-N 3.24Å; K686-R690 PolarHBondContact O-N 3.42Å
687	K	80.5	Confident	79.2	Confident	138 Å²	138	82 Å²	82	60%	0.6	36%	0.359	S	S	*	.	H	α-helix	trans	-64.3	-45.1	175.4	-67.3	-179.1	178.6	-179.3	0	110.8	N684 L685	N684-K687 PolarHBondContact O-N 3.07Å; L685-K687 VanDerWaalsContact C-N 3.27Å; L685-K687 PolarHBondContact O-N 3.13Å
688	S	80.1	Confident	78.3	Confident	11 Å²	11	82.5 Å²	82.5	8%	0.077	37%	0.367	C	S	.	.	H	α-helix	trans	-67	-40.1	177.9	178.4	0	0	0	0	112.7	G216 D217 L685 R690 L691 M692	G216-S688 WeakPolarHBondContact CA-OG 3.41Å; D217-S688 PolarHBondContact N-OG 3.25Å; D217-S688 WeakPolarHBondContact OD1-CB 3.14Å; D217-S688 PolarHBondContact OD1-OG 3.26Å; L685-S688 WeakPolarHBondContact O-CB 3.35Å; L685-S688 PolarHBondContact O-N 3.17Å; L685-S688 VanDerWaalsContact O-N 3.12Å; S688-R690 VanDerWaalsContact C-N 3.32Å; S688-R690 PolarHBondContact O-N 3.05Å; S688-L691 PolarHBondContact O-N 3.5Å; S688-M692 PolarHBondContact O-N 2.87Å; S688-M692 VanDerWaalsContact O-N 3.15Å
689	Q	82.8	Confident	77.4	Confident	35 Å²	35	86.8 Å²	86.8	16%	0.164	39%	0.393	C	S	.	.	H	α-helix	trans	-54.6	-44.3	178.4	-70.2	171.6	-8.6	0	0	112.8	G213 L214 L685 L691 M692 R693	G213-Q689 VanDerWaalsContact O-CG 3.31Å; G213-Q689 WeakPolarHBondContact O-CG 3.38Å; L214-Q689 VanDerWaalsContact O-CD 3.27Å; L214-Q689 PolarHBondContact O-NE2 2.91Å; L685-Q689 VanDerWaalsContact O-CG 3.23Å; L685-Q689 WeakPolarHBondContact O-CG 3.3Å; L685-Q689 PolarHBondContact O-N 3.2Å; Q689-L691 VanDerWaalsContact C-N 3.34Å; Q689-L691 PolarHBondContact O-N 3.07Å; Q689-M692 PolarHBondContact O-N 3.15Å; Q689-R693 WeakPolarHBondContact O-CB 3.48Å; Q689-R693 PolarHBondContact O-N 3.31Å
690	R	77.4	Confident	76.7	Confident	189 Å²	189	81 Å²	81	71%	0.713	37%	0.369	S	S	*	.	H	α-helix	trans	-62.1	-39.8	-179.4	-70.3	177.1	-179.7	174.7	-1.2	112.8	K686 S688 R694	K686-R690 PolarHBondContact O-N 3.42Å; S688-R690 VanDerWaalsContact C-N 3.32Å; S688-R690 PolarHBondContact O-N 3.05Å; R690-R694 WeakPolarHBondContact O-CG 3.4Å; R690-R694 PolarHBondContact O-N 3.17Å
691	L	78	Confident	75.3	Confident	125 Å²	125	84.2 Å²	84.2	65%	0.654	38%	0.382	S	S	*	.	H	α-helix	trans	-68.1	-44.7	179	-71.7	165.3	0	0	0	111.2	S688 Q689 R695	S688-L691 PolarHBondContact O-N 3.5Å; Q689-L691 VanDerWaalsContact C-N 3.34Å; Q689-L691 PolarHBondContact O-N 3.07Å; L691-R695 PolarHBondContact O-N 3.21Å
692	M	78.6	Confident	74.1	Confident	48 Å²	48	88.6 Å²	88.6	24%	0.236	40%	0.404	C	S	.	.	H	α-helix	trans	-67.3	-40.7	-179.3	-67.7	-56.1	-65	0	0	112.3	S688 Q689 R695 F696	S688-M692 PolarHBondContact O-N 2.87Å; S688-M692 VanDerWaalsContact O-N 3.15Å; Q689-M692 PolarHBondContact O-N 3.15Å; M692-R695 WeakPolarHBondContact O-CB 3.49Å; M692-R695 PolarHBondContact O-N 3.33Å; M692-F696 PolarHBondContact O-N 2.76Å
693	R	74.4	Confident	72.9	Confident	80 Å²	80	87.7 Å²	87.7	30%	0.302	40%	0.4	S	S	.	.	H	α-helix	trans	-63.7	-45.3	179.1	-173.7	59.7	-175.6	-137.8	-3.3	112.1	Y211 Q689 R695 F696 D697	Y211-R693 PolarHBondContact OH-NH1 3Å; Q689-R693 WeakPolarHBondContact O-CB 3.48Å; Q689-R693 PolarHBondContact O-N 3.31Å; R693-R695 VanDerWaalsContact C-N 3.25Å; R693-R695 PolarHBondContact O-N 3.17Å; R693-F696 PolarHBondContact O-N 2.98Å; R693-D697 IonicContact CZ-OD1 3.09Å; R693-D697 IonicContact NE-OD1 2.68Å; R693-D697 PolarHBondContact NE-OD1 3.45Å; R693-D697 IonicContact NE-OD2 2.94Å; R693-D697 IonicContact NH2-OD1 2.85Å; R693-D697 PolarHBondContact O-N 2.74Å
694	R	71.8	Confident	71.5	Confident	184 Å²	184	83.2 Å²	83.2	69%	0.694	38%	0.384	S	S	*	.	H	α-helix	trans	-55.5	-40.3	175.2	-75.9	178	174.2	-175.6	-2.5	112.6	R690 F696 C698	R690-R694 WeakPolarHBondContact O-CG 3.4Å; R690-R694 PolarHBondContact O-N 3.17Å; R694-F696 VanDerWaalsContact C-N 3.34Å; R694-C698 PolarHBondContact O-N 3.33Å; R694-C698 VanDerWaalsContact O-N 3.17Å; R694-C698 PolarHBondContact O-SG 2.91Å
695	R	69	Low	70.2	Confident	191 Å²	191	84.3 Å²	84.3	72%	0.721	39%	0.392	S	S	*	.	H	α-helix	trans	-65.2	-38.5	178.3	-167.8	178.3	-172.9	173.8	2.9	112	L691 M692 R693	L691-R695 PolarHBondContact O-N 3.21Å; M692-R695 WeakPolarHBondContact O-CB 3.49Å; M692-R695 PolarHBondContact O-N 3.33Å; R693-R695 VanDerWaalsContact C-N 3.25Å; R693-R695 PolarHBondContact O-N 3.17Å
696	F	72.5	Confident	68.3	Low	27 Å²	27	85.9 Å²	85.9	12%	0.118	40%	0.403	C	S	.	.	H	α-helix	trans	-73.4	-44.3	178.5	-177.6	-112.2	0	0	0	112.8	R188 P212 M692 R693 R694 C698 T699 L700	R188-F696 VanDerWaalsContact CZ-CE2 3.44Å; R188-F696 VanDerWaalsContact NH2-CE2 3.29Å; P212-F696 HydrophobicContact CB-CB 3.84Å; P212-F696 HydrophobicContact CB-CD1 3.89Å; P212-F696 HydrophobicContact CB-CD2 3.73Å; P212-F696 HydrophobicContact CB-CE1 4.38Å; P212-F696 HydrophobicContact CB-CE2 4.29Å; P212-F696 HydrophobicContact CB-CG 3.5Å; P212-F696 HydrophobicContact CG-CD1 3.87Å; P212-F696 HydrophobicContact CG-CD2 3.63Å; P212-F696 HydrophobicContact CG-CE1 3.84Å; P212-F696 HydrophobicContact CG-CE2 3.66Å; P212-F696 HydrophobicContact CG-CG 3.74Å; P212-F696 HydrophobicContact CG-CZ 3.74Å; M692-F696 PolarHBondContact O-N 2.76Å; R693-F696 PolarHBondContact O-N 2.98Å; R694-F696 VanDerWaalsContact C-N 3.34Å; F696-C698 PolarHBondContact O-N 2.95Å; F696-T699 PolarHBondContact O-N 3.21Å; F696-T699 PolarHBondContact O-OG1 3.04Å; F696-L700 HydrophobicContact CD1-CD1 4.21Å; F696-L700 HydrophobicContact CE1-CD1 3.38Å; F696-L700 HydrophobicContact CE1-CG 4.2Å; F696-L700 HydrophobicContact CE2-CD1 4.27Å; F696-L700 HydrophobicContact CE2-CG 4.33Å; F696-L700 HydrophobicContact CZ-CD1 3.42Å; F696-L700 VanDerWaalsContact CZ-CD1 3.42Å; F696-L700 HydrophobicContact CZ-CD2 4.44Å; F696-L700 HydrophobicContact CZ-CG 3.94Å; F696-L700 PolarHBondContact O-N 3.39Å
697	D	71.7	Confident	66	Low	69 Å²	69	85.8 Å²	85.8	37%	0.369	41%	0.414	S	S	.	.	H	α-helix	trans	-60.7	-33.2	177.4	-61	-25.1	0	0	0	110.6	R693 T699 L700 K701	R693-D697 IonicContact CZ-OD1 3.09Å; R693-D697 IonicContact NE-OD1 2.68Å; R693-D697 PolarHBondContact NE-OD1 3.45Å; R693-D697 IonicContact NE-OD2 2.94Å; R693-D697 IonicContact NH2-OD1 2.85Å; R693-D697 PolarHBondContact O-N 2.74Å; D697-T699 VanDerWaalsContact C-N 3.28Å; D697-T699 PolarHBondContact O-N 2.96Å; D697-L700 PolarHBondContact O-N 2.77Å; D697-L700 VanDerWaalsContact O-N 3.17Å; D697-K701 PolarHBondContact O-N 3.14Å
698	C	63.5	Low	63.7	Low	71 Å²	71	82.5 Å²	82.5	48%	0.48	41%	0.413	S	S	.	.	H	α-helix	trans	-61.8	-31.4	172.6	-71.8	0	0	0	0	114	R694 F696 L700	R694-C698 PolarHBondContact O-N 3.33Å; R694-C698 VanDerWaalsContact O-N 3.17Å; R694-C698 PolarHBondContact O-SG 2.91Å; F696-C698 PolarHBondContact O-N 2.95Å; C698-L700 VanDerWaalsContact C-N 3.33Å
699	T	61.7	Low	61.1	Low	91 Å²	91	88.2 Å²	88.2	56%	0.558	45%	0.45	S	S	*	.	H	α-helix	trans	-77.7	-17	176.8	38.7	0	0	0	0	113.9	F696 D697	F696-T699 PolarHBondContact O-N 3.21Å; F696-T699 PolarHBondContact O-OG1 3.04Å; D697-T699 VanDerWaalsContact C-N 3.28Å; D697-T699 PolarHBondContact O-N 2.96Å
700	L	66.3	Low	58.4	Low	29 Å²	29	91.8 Å²	91.8	15%	0.152	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	5.3	-179.7	-67.1	-177.5	0	0	0	113.9	F696 D697 C698 N702 V703	F696-L700 HydrophobicContact CD1-CD1 4.21Å; F696-L700 HydrophobicContact CE1-CD1 3.38Å; F696-L700 HydrophobicContact CE1-CG 4.2Å; F696-L700 HydrophobicContact CE2-CD1 4.27Å; F696-L700 HydrophobicContact CE2-CG 4.33Å; F696-L700 HydrophobicContact CZ-CD1 3.42Å; F696-L700 VanDerWaalsContact CZ-CD1 3.42Å; F696-L700 HydrophobicContact CZ-CD2 4.44Å; F696-L700 HydrophobicContact CZ-CG 3.94Å; F696-L700 PolarHBondContact O-N 3.39Å; D697-L700 PolarHBondContact O-N 2.77Å; D697-L700 VanDerWaalsContact O-N 3.17Å; C698-L700 VanDerWaalsContact C-N 3.33Å; L700-N702 PolarHBondContact O-N 2.9Å; L700-V703 HydrophobicContact CB-CB 4.47Å; L700-V703 HydrophobicContact CD2-CB 4.14Å; L700-V703 HydrophobicContact CD2-CG1 4.46Å; L700-V703 HydrophobicContact CD2-CG2 3.85Å; L700-V703 PolarHBondContact O-N 2.79Å
701	K	56.6	Low	55.9	Low	158 Å²	158	91.4 Å²	91.4	69%	0.687	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	-33.1	-173.8	-77.8	-178.2	175.6	-171.4	0	115.1	D697	D697-K701 PolarHBondContact O-N 3.14Å
702	N	57.3	Low	53.5	Low	94 Å²	94	90.9 Å²	90.9	50%	0.503	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	15.8	-177	-59.4	10.6	0	0	0	112.5	L700 E730	L700-N702 PolarHBondContact O-N 2.9Å; N702-E730 PolarHBondContact ND2-OE2 3.05Å
703	V	56.4	Low	51	Low	13 Å²	13	94.2 Å²	94.2	8%	0.079	52%	0.515	C	S	.	.	S	Bend	trans	-98.8	123.8	179.3	-176.8	0	0	0	0	108.6	R184 P186 L700 V705 F725	R184-V703 HydrophobicContact CB-CG2 4.47Å; P186-V703 HydrophobicContact CG-CG1 4.14Å; L700-V703 HydrophobicContact CB-CB 4.47Å; L700-V703 HydrophobicContact CD2-CB 4.14Å; L700-V703 HydrophobicContact CD2-CG1 4.46Å; L700-V703 HydrophobicContact CD2-CG2 3.85Å; L700-V703 PolarHBondContact O-N 2.79Å; V703-V705 PolarHBondContact O-N 3.02Å; V703-F725 HydrophobicContact CG1-CE1 3.92Å
704	P	53.3	Low	48.7	Very low	34 Å²	34	95.2 Å²	95.2	22%	0.221	53%	0.534	C	S	.	.			trans	-59.8	138.7	176.9	-14.7	26.1	0	0	0	110.2	P724 F725	P704-P724 HydrophobicContact CB-CB 3.95Å; P704-P724 HydrophobicContact CB-CG 3.74Å; P704-P724 HydrophobicContact CG-CB 3.53Å; P704-P724 HydrophobicContact CG-CG 3.83Å; P704-F725 HydrophobicContact CB-CE2 4.08Å; P704-F725 HydrophobicContact CB-CZ 4.03Å; P704-F725 HydrophobicContact CG-CD1 4.5Å; P704-F725 HydrophobicContact CG-CE1 4.38Å; P704-F725 HydrophobicContact CG-CE2 4.44Å; P704-F725 HydrophobicContact CG-CZ 4.35Å; P704-F725 WeakPolarHBondContact O-CZ 3.32Å
705	V	54.9	Low	46.6	Very low	67 Å²	67	96.1 Å²	96.1	41%	0.406	54%	0.544	S	S	.	.			trans	-124	143.5	169.7	-173.6	0	0	0	0	106.3	A52 P186 V703 P707	A52-V705 HydrophobicContact CB-CG1 3.72Å; P186-V705 HydrophobicContact CB-CG2 4.17Å; V703-V705 PolarHBondContact O-N 3.02Å; V705-P707 WeakPolarHBondContact O-CD 3.3Å; V705-P707 VanDerWaalsContact O-N 3.13Å
706	C	45	Very low	44.6	Very low	35 Å²	35	96.6 Å²	96.6	24%	0.236	55%	0.554	C	S	.	*	P	Polyproline II helix	trans	-53.4	124.1	171.7	-84.7	0	0	0	0	108.8	Y49 A708	Y49-C706 PolarHBondContact OH-SG 3.11Å; Y49-C706 VanDerWaalsContact OH-SG 3.41Å; C706-A708 PolarHBondContact O-N 3.38Å
707	P	34.6	Very low	42.3	Very low	113 Å²	113	98.5 Å²	98.5	73%	0.734	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-61.7	129	175.2	22.2	-29.4	0	0	0	108.4	V705	V705-P707 WeakPolarHBondContact O-CD 3.3Å; V705-P707 VanDerWaalsContact O-N 3.13Å
708	A	30.9	Very low	40.2	Very low	68 Å²	68	102.3 Å²	102.3	56%	0.562	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-51.7	139.3	170.4	0	0	0	0	0	108.3	C706 T710	C706-A708 PolarHBondContact O-N 3.38Å; A708-T710 VanDerWaalsContact C-N 3.32Å; A708-T710 PolarHBondContact O-N 3.35Å; A708-T710 PolarHBondContact O-OG1 2.88Å
709	P	27.3	Very low	38.6	Very low	131 Å²	131	106.3 Å²	106.3	85%	0.851	62%	0.617	S	S	*	*			trans	-60.6	96.5	-174.5	23.5	-32.3	0	0	0	109.4
710	T	25.3	Very low	37.1	Very low	111 Å²	111	111.6 Å²	111.6	68%	0.681	63%	0.633	S	S	*	*			trans	-94.7	117.4	175.7	-40.1	0	0	0	0	105.2	A708 T712	A708-T710 VanDerWaalsContact C-N 3.32Å; A708-T710 PolarHBondContact O-N 3.35Å; A708-T710 PolarHBondContact O-OG1 2.88Å; T710-T712 HydrophobicContact CG2-CG2 4.47Å; T710-T712 PolarHBondContact O-N 3.18Å
711	L	25.4	Very low	35.7	Very low	181 Å²	181	114.4 Å²	114.4	95%	0.948	66%	0.66	S	S	*	*			trans	-67.5	81.8	-179.7	-73	162.5	0	0	0	109.4
712	T	26.5	Very low	35	Very low	113 Å²	113	111 Å²	111	69%	0.693	66%	0.656	S	S	*	*			trans	-127.2	108	169.2	58.4	0	0	0	0	109.1	T710 S714	T710-T712 HydrophobicContact CG2-CG2 4.47Å; T710-T712 PolarHBondContact O-N 3.18Å; T712-S714 PolarHBondContact O-N 3.29Å
713	S	27.2	Very low	34.5	Very low	118 Å²	118	107.7 Å²	107.7	83%	0.825	64%	0.639	S	S	*	*			trans	-64.6	113.6	169.4	51.1	0	0	0	0	110.1
714	S	25.3	Very low	34.3	Very low	101 Å²	101	109.6 Å²	109.6	71%	0.706	65%	0.651	S	S	*	*			trans	171.7	130.9	143.6	47.2	0	0	0	0	113.2	T712	T712-S714 PolarHBondContact O-N 3.29Å
715	K	27.1	Very low	34.4	Very low	204 Å²	204	108.2 Å²	108.2	89%	0.887	64%	0.642	S	S	*	*			trans	77.1	98.2	151.7	-65.4	179.5	-179.8	-175	0	117.6	G717	K715-G717 PolarHBondContact O-N 2.86Å
716	E	27.5	Very low	34	Very low	200 Å²	200	107 Å²	107	94%	0.935	64%	0.636	S	S	*	*			trans	-56.8	105.4	156.4	-67.5	176.2	149.8	0	0	109.1
717	G	25	Very low	34.3	Very low	67 Å²	67	110.7 Å²	110.7	69%	0.691	65%	0.65	S	S	*	*			trans	-145.9	119.5	170.8	0	0	0	0	0	108.8	K715	K715-G717 PolarHBondContact O-N 2.86Å
718	D	26.8	Very low	34.8	Very low	150 Å²	150	111.3 Å²	111.3	80%	0.802	64%	0.64	S	S	*	*			trans	49.9	80.6	172.9	-71.5	-21.9	0	0	0	118.8	F720	D718-F720 PolarHBondContact O-N 3Å
719	L	31.2	Very low	35.6	Very low	154 Å²	154	108.5 Å²	108.5	81%	0.806	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	9.7	170.1	-87.4	154.4	0	0	0	115.3
720	F	29.1	Very low	36.1	Very low	203 Å²	203	109.1 Å²	109.1	89%	0.89	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.4	26.6	175.5	-69.3	-75.5	0	0	0	113	D718 S722	D718-F720 PolarHBondContact O-N 3Å; F720-S722 PolarHBondContact O-N 2.71Å; F720-S722 VanDerWaalsContact O-N 3.1Å
721	A	36.9	Very low	36.3	Very low	87 Å²	87	110.6 Å²	110.6	72%	0.719	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-53.8	118.6	168.2	0	0	0	0	0	109.7	N723	A721-N723 PolarHBondContact O-N 3.48Å
722	S	41	Very low	36.5	Very low	87 Å²	87	108.5 Å²	108.5	61%	0.608	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-49.7	128	176.7	47.8	0	0	0	0	110.6	F720 P724	F720-S722 PolarHBondContact O-N 2.71Å; F720-S722 VanDerWaalsContact O-N 3.1Å; S722-P724 VanDerWaalsContact O-N 3.14Å
723	N	47.7	Very low	36.5	Very low	24 Å²	24	107.9 Å²	107.9	13%	0.128	60%	0.599	C	S	.	*	P	Polyproline II helix	trans	-52.4	119.7	-176.9	-165.8	-22.2	0	0	0	109.8	C82 L84 G85 C136 A721 F725 C726	C82-N723 PolarHBondContact O-ND2 3.46Å; L84-N723 PolarHBondContact O-ND2 2.94Å; G85-N723 WeakPolarHBondContact CA-ND2 3.41Å; G85-N723 PolarHBondContact N-ND2 2.93Å; C136-N723 PolarHBondContact SG-ND2 3.41Å; A721-N723 PolarHBondContact O-N 3.48Å; N723-F725 PolarHBondContact O-N 2.86Å; N723-C726 WeakPolarHBondContact O-CB 3.23Å; N723-C726 PolarHBondContact O-N 2.91Å
724	P	52.9	Low	36.5	Very low	54 Å²	54	110.3 Å²	110.3	35%	0.351	60%	0.598	S	S	.	*	G	3₁₀ helix	trans	-67	-11.1	-166.4	27.7	-38	0	0	0	113.5	P704 S722	P704-P724 HydrophobicContact CB-CB 3.95Å; P704-P724 HydrophobicContact CB-CG 3.74Å; P704-P724 HydrophobicContact CG-CB 3.53Å; P704-P724 HydrophobicContact CG-CG 3.83Å; S722-P724 VanDerWaalsContact O-N 3.14Å
725	F	54.1	Low	36.8	Very low	4 Å²	4	113.8 Å²	113.8	2%	0.018	60%	0.6	C	S	.	*	G	3₁₀ helix	trans	-81.3	-8.2	172.8	-66.2	-84.7	0	0	0	114.8	P86 N157 H159 P186 V703 P704 N723 H727	P86-F725 VanDerWaalsContact CD-CB 3.46Å; P86-F725 HydrophobicContact CG-CB 4.04Å; N157-F725 HydrophobicContact CB-CD1 4.38Å; H159-F725 HydrophobicContact CB-CD1 4.09Å; H159-F725 HydrophobicContact CB-CD2 4.12Å; H159-F725 HydrophobicContact CB-CE1 4.21Å; H159-F725 HydrophobicContact CB-CE2 4.24Å; H159-F725 HydrophobicContact CB-CG 4.04Å; H159-F725 HydrophobicContact CB-CZ 4.28Å; H159-F725 AromaticContact CD2-CE2 3.33Å; H159-F725 WeakPolarHBondContact CD2-CE2 3.14Å; H159-F725 AromaticContact CD2-CZ 3.35Å; H159-F725 WeakPolarHBondContact CD2-CZ 3.49Å; H159-F725 AromaticContact CG-CE2 3.88Å; H159-F725 AromaticContact NE2-CE2 3.95Å; P186-F725 HydrophobicContact CG-CE1 4.36Å; P186-F725 HydrophobicContact CG-CZ 4.28Å; V703-F725 HydrophobicContact CG1-CE1 3.92Å; P704-F725 HydrophobicContact CB-CE2 4.08Å; P704-F725 HydrophobicContact CB-CZ 4.03Å; P704-F725 HydrophobicContact CG-CD1 4.5Å; P704-F725 HydrophobicContact CG-CE1 4.38Å; P704-F725 HydrophobicContact CG-CE2 4.44Å; P704-F725 HydrophobicContact CG-CZ 4.35Å; P704-F725 WeakPolarHBondContact O-CZ 3.32Å; N723-F725 PolarHBondContact O-N 2.86Å; F725-H727 PolarHBondContact O-N 3.01Å
726	C	46.6	Very low	37	Very low	41 Å²	41	112.7 Å²	112.7	28%	0.277	60%	0.598	S	S	.	*	G	3₁₀ helix	trans	-74	-7.7	-179.4	-75.8	0	0	0	0	114.4	C136 N723	C136-C726 PolarHBondContact SG-SG 3.04Å; N723-C726 WeakPolarHBondContact O-CB 3.23Å; N723-C726 PolarHBondContact O-N 2.91Å
727	H	51.9	Low	37.2	Very low	114 Å²	114	114 Å²	114	53%	0.528	59%	0.594	S	S	.	*	S	Bend	trans	-92.4	143.9	-178.8	-61.7	-67	0	0	0	112.3	F725 G729	F725-H727 PolarHBondContact O-N 3.01Å; H727-G729 PolarHBondContact O-N 2.84Å
728	K	46	Very low	37.8	Very low	125 Å²	125	116.4 Å²	116.4	54%	0.543	59%	0.591	S	S	.	*	B	Isolated β-bridge	trans	-58.5	134.5	163.6	-78.5	-179.7	176.5	176.8	0	107.6	Y156 E730	Y156-K728 HydrophobicContact CD1-CG 4.16Å; Y156-K728 HydrophobicContact CE1-CG 3.76Å; K728-E730 PolarHBondContact O-N 3.45Å
729	G	46.1	Very low	38.8	Very low	10 Å²	10	112.3 Å²	112.3	10%	0.103	57%	0.574	C	S	.	*	P	Polyproline II helix	trans	-58.8	131.6	173.5	0	0	0	0	0	108.4	K155 H727 D731	K155-G729 PolarHBondContact O-N 2.59Å; H727-G729 PolarHBondContact O-N 2.84Å; G729-D731 PolarHBondContact O-N 3.28Å
730	E	38.3	Very low	40.2	Very low	143 Å²	143	107.3 Å²	107.3	67%	0.668	56%	0.56	S	S	*	*			trans	-45.4	119.5	178	-70.8	173.7	153.9	0	0	109.3	N702 K728 H732	N702-E730 PolarHBondContact ND2-OE2 3.05Å; K728-E730 PolarHBondContact O-N 3.45Å; E730-H732 PolarHBondContact O-N 3.44Å; E730-H732 VanDerWaalsContact O-N 3.11Å
731	D	29.9	Very low	41.9	Very low	143 Å²	143	100.8 Å²	100.8	77%	0.765	54%	0.539	S	S	*	.			trans	-59	118.7	168	-86.7	-35.9	0	0	0	105.2	G729 S733	G729-D731 PolarHBondContact O-N 3.28Å; D731-S733 PolarHBondContact O-N 2.89Å
732	H	30.2	Very low	43.2	Very low	137 Å²	137	99.6 Å²	99.6	63%	0.634	52%	0.521	S	S	*	.			trans	-63	87.6	158.3	-75.2	-55.7	0	0	0	105.6	E730 E734	E730-H732 PolarHBondContact O-N 3.44Å; E730-H732 VanDerWaalsContact O-N 3.11Å; H732-E734 PolarHBondContact O-N 2.91Å; H732-E734 VanDerWaalsContact O-N 3.17Å
733	S	26.2	Very low	44	Very low	100 Å²	100	99.7 Å²	99.7	70%	0.699	51%	0.513	S	S	*	.			trans	-45.9	121.1	168.4	48	0	0	0	0	107	D731 K735	D731-S733 PolarHBondContact O-N 2.89Å; S733-K735 PolarHBondContact O-N 3.25Å
734	E	27.4	Very low	44.7	Very low	169 Å²	169	103.6 Å²	103.6	79%	0.79	53%	0.534	S	S	*	.			trans	21.2	72.5	159	-60.8	-173.7	147.5	0	0	113.8	H732 E736	H732-E734 PolarHBondContact O-N 2.91Å; H732-E734 VanDerWaalsContact O-N 3.17Å; E734-E736 VanDerWaalsContact C-N 3.31Å; E734-E736 PolarHBondContact O-N 3.09Å
735	K	30	Very low	45.3	Very low	173 Å²	173	107.3 Å²	107.3	75%	0.752	55%	0.546	S	S	*	.			trans	-55.4	111.1	154.7	-79.3	-174	176.4	-178.2	0	105	S733 R737	S733-K735 PolarHBondContact O-N 3.25Å; K735-R737 PolarHBondContact O-N 3.39Å; K735-R737 VanDerWaalsContact O-N 3.1Å
736	E	31.6	Very low	45.5	Very low	181 Å²	181	112.3 Å²	112.3	85%	0.846	57%	0.573	S	S	*	*			trans	-22.3	112.8	178.4	-71.1	170.5	142.9	0	0	109.3	E734 L738	E734-E736 VanDerWaalsContact C-N 3.31Å; E734-E736 PolarHBondContact O-N 3.09Å; E736-L738 VanDerWaalsContact C-N 3.27Å; E736-L738 PolarHBondContact O-N 3.19Å
737	R	32	Very low	46.4	Very low	227 Å²	227	115 Å²	115	86%	0.857	58%	0.583	S	S	*	*			trans	-54.5	102.7	173.2	-75.4	-179.5	-179.9	170.4	2.8	105.6	K735 S739	K735-R737 PolarHBondContact O-N 3.39Å; K735-R737 VanDerWaalsContact O-N 3.1Å; R737-S739 PolarHBondContact O-N 2.95Å
738	L	38.6	Very low	47.1	Very low	119 Å²	119	118.5 Å²	118.5	62%	0.623	59%	0.592	S	S	*	*			trans	-41.6	113.1	179.8	-72.6	161.9	0	0	0	107.3	E736 D742 I743	E736-L738 VanDerWaalsContact C-N 3.27Å; E736-L738 PolarHBondContact O-N 3.19Å; L738-D742 HydrophobicContact CB-CB 4.22Å; L738-D742 HydrophobicContact CD2-CB 3.92Å; L738-I743 HydrophobicContact CB-CG1 4.31Å
739	S	46.3	Very low	47.8	Very low	64 Å²	64	120 Å²	120	45%	0.448	60%	0.598	S	S	.	*			trans	-57	148.1	-179.4	173.6	0	0	0	0	107.1	R737 S741 D742 I743	R737-S739 PolarHBondContact O-N 2.95Å; S739-S741 WeakPolarHBondContact CB-OG 3.43Å; S739-S741 CarbonylContact O-C 3.59Å; S739-S741 PolarHBondContact O-N 3.44Å; S739-S741 PolarHBondContact OG-OG 3.09Å; S739-D742 PolarHBondContact N-OD2 3.3Å; S739-D742 WeakPolarHBondContact O-CA 3.24Å; S739-D742 WeakPolarHBondContact O-CB 3.37Å; S739-D742 PolarHBondContact O-N 2.79Å; S739-I743 PolarHBondContact O-N 3.3Å
740	G	61.6	Low	47.8	Very low	49 Å²	49	128.1 Å²	128.1	51%	0.505	63%	0.626	S	S	.	*	H	α-helix	trans	-51.4	-26.1	178.1	0	0	0	0	0	112.5	L744	G740-L744 WeakPolarHBondContact O-CG 3.47Å; G740-L744 PolarHBondContact O-N 3.04Å; G740-L744 VanDerWaalsContact O-N 3.16Å
741	S	64.2	Low	48.2	Very low	65 Å²	65	127.4 Å²	127.4	46%	0.455	62%	0.62	S	S	.	*	H	α-helix	trans	-64.6	-40.4	170.8	62.8	0	0	0	0	114.3	S739 L744 Q745	S739-S741 WeakPolarHBondContact CB-OG 3.43Å; S739-S741 CarbonylContact O-C 3.59Å; S739-S741 PolarHBondContact O-N 3.44Å; S739-S741 PolarHBondContact OG-OG 3.09Å; S741-L744 PolarHBondContact O-N 3.35Å; S741-Q745 PolarHBondContact O-N 3.07Å
742	D	65.7	Low	48.9	Very low	63 Å²	63	126.2 Å²	126.2	34%	0.337	61%	0.612	S	S	.	*	H	α-helix	trans	-69	-38.5	178.6	-61.4	-42.1	0	0	0	111.8	L738 S739 L744 Q745 L746	L738-D742 HydrophobicContact CB-CB 4.22Å; L738-D742 HydrophobicContact CD2-CB 3.92Å; S739-D742 PolarHBondContact N-OD2 3.3Å; S739-D742 WeakPolarHBondContact O-CA 3.24Å; S739-D742 WeakPolarHBondContact O-CB 3.37Å; S739-D742 PolarHBondContact O-N 2.79Å; D742-L744 VanDerWaalsContact C-N 3.34Å; D742-Q745 PolarHBondContact O-N 3.37Å; D742-L746 WeakPolarHBondContact O-CB 3.31Å; D742-L746 PolarHBondContact O-N 3.21Å
743	I	57.8	Low	49.5	Very low	89 Å²	89	125.5 Å²	125.5	46%	0.456	61%	0.612	S	S	.	*	H	α-helix	trans	-62.7	-44.6	173.4	-75.3	173.8	0	0	0	110	L738 S739 L746 I747	L738-I743 HydrophobicContact CB-CG1 4.31Å; S739-I743 PolarHBondContact O-N 3.3Å; I743-L746 PolarHBondContact O-N 3.03Å; I743-I747 HydrophobicContact CG2-CD1 3.81Å; I743-I747 VanDerWaalsContact O-CG1 3.26Å; I743-I747 WeakPolarHBondContact O-CG1 3.38Å; I743-I747 PolarHBondContact O-N 2.86Å
744	L	62.2	Low	50	Low	105 Å²	105	125.3 Å²	125.3	55%	0.55	61%	0.607	S	S	.	*	H	α-helix	trans	-66.5	-38	177.1	-73.8	170.7	0	0	0	112	G740 S741 D742 I747 R748	G740-L744 WeakPolarHBondContact O-CG 3.47Å; G740-L744 PolarHBondContact O-N 3.04Å; G740-L744 VanDerWaalsContact O-N 3.16Å; S741-L744 PolarHBondContact O-N 3.35Å; D742-L744 VanDerWaalsContact C-N 3.34Å; L744-I747 PolarHBondContact O-N 3.35Å; L744-R748 WeakPolarHBondContact O-CB 3.47Å; L744-R748 WeakPolarHBondContact O-CG 3.36Å; L744-R748 PolarHBondContact O-N 3.13Å
745	Q	65.5	Low	50.3	Low	133 Å²	133	122.7 Å²	122.7	62%	0.621	60%	0.595	S	S	*	*	H	α-helix	trans	-64.1	-42.2	172.7	-81.7	-169.8	-4	0	0	111.6	S741 D742 I747 R748 K749	S741-Q745 PolarHBondContact O-N 3.07Å; D742-Q745 PolarHBondContact O-N 3.37Å; Q745-I747 VanDerWaalsContact C-N 3.35Å; Q745-I747 PolarHBondContact O-N 3.35Å; Q745-R748 PolarHBondContact O-N 2.86Å; Q745-K749 WeakPolarHBondContact O-CB 3.34Å; Q745-K749 PolarHBondContact O-N 2.85Å
746	L	58.2	Low	50.4	Low	109 Å²	109	118.5 Å²	118.5	57%	0.571	58%	0.583	S	S	*	*	H	α-helix	trans	-65.8	-38.6	178.4	-154.8	85.4	0	0	0	111.7	D742 I743 R750	D742-L746 WeakPolarHBondContact O-CB 3.31Å; D742-L746 PolarHBondContact O-N 3.21Å; I743-L746 PolarHBondContact O-N 3.03Å; L746-R750 WeakPolarHBondContact O-CB 3.43Å; L746-R750 PolarHBondContact O-N 2.97Å
747	I	65.1	Low	50.3	Low	96 Å²	96	115.3 Å²	115.3	49%	0.492	58%	0.577	S	S	.	*	H	α-helix	trans	-66.5	-44.6	174.5	-68.5	167.3	0	0	0	110.4	I743 L744 Q745 K749 R750 K751	I743-I747 HydrophobicContact CG2-CD1 3.81Å; I743-I747 VanDerWaalsContact O-CG1 3.26Å; I743-I747 WeakPolarHBondContact O-CG1 3.38Å; I743-I747 PolarHBondContact O-N 2.86Å; L744-I747 PolarHBondContact O-N 3.35Å; Q745-I747 VanDerWaalsContact C-N 3.35Å; Q745-I747 PolarHBondContact O-N 3.35Å; I747-K749 PolarHBondContact O-N 3.24Å; I747-R750 PolarHBondContact O-N 2.87Å; I747-K751 PolarHBondContact O-N 3.16Å
748	R	66.3	Low	50.2	Low	189 Å²	189	113.8 Å²	113.8	71%	0.713	58%	0.576	S	S	*	*	H	α-helix	trans	-61.6	-42.5	175.4	-80.3	-179.6	177.2	168	0.1	112	L744 Q745 R750 K751 M752	L744-R748 WeakPolarHBondContact O-CB 3.47Å; L744-R748 WeakPolarHBondContact O-CG 3.36Å; L744-R748 PolarHBondContact O-N 3.13Å; Q745-R748 PolarHBondContact O-N 2.86Å; R748-R750 VanDerWaalsContact C-N 3.3Å; R748-R750 PolarHBondContact O-N 2.88Å; R748-K751 PolarHBondContact O-N 3.07Å; R748-M752 WeakPolarHBondContact O-CB 3.04Å; R748-M752 WeakPolarHBondContact O-CG 3.44Å; R748-M752 PolarHBondContact O-N 3.4Å
749	K	59.9	Low	49.6	Very low	156 Å²	156	112.9 Å²	112.9	68%	0.678	58%	0.58	S	S	*	*	H	α-helix	trans	-64.1	-35.9	176.6	-134.3	174.6	-173	174.6	0	111.8	Q745 I747 L753	Q745-K749 WeakPolarHBondContact O-CB 3.34Å; Q745-K749 PolarHBondContact O-N 2.85Å; I747-K749 PolarHBondContact O-N 3.24Å; K749-L753 WeakPolarHBondContact O-CG 3.29Å; K749-L753 PolarHBondContact O-N 3.39Å
750	R	46.2	Very low	48.7	Very low	180 Å²	180	114.7 Å²	114.7	68%	0.679	59%	0.592	S	S	*	*	H	α-helix	trans	-69	-41.9	173.9	-111.6	-175.1	171.7	112.6	-0.6	112.8	L746 I747 R748 L753 T754	L746-R750 WeakPolarHBondContact O-CB 3.43Å; L746-R750 PolarHBondContact O-N 2.97Å; I747-R750 PolarHBondContact O-N 2.87Å; R748-R750 VanDerWaalsContact C-N 3.3Å; R748-R750 PolarHBondContact O-N 2.88Å; R750-L753 PolarHBondContact O-N 3.1Å; R750-T754 PolarHBondContact O-N 3.27Å; R750-T754 VanDerWaalsContact O-N 3.14Å; R750-T754 PolarHBondContact O-OG1 2.92Å; R750-T754 VanDerWaalsContact O-OG1 3.11Å
751	K	47.5	Very low	46.9	Very low	128 Å²	128	117.9 Å²	117.9	56%	0.557	61%	0.607	S	S	*	*	H	α-helix	trans	-63.7	-43.1	175.3	-105.5	-168.1	172.8	-165.3	0	111.7	I747 R748 L753 T754 E755	I747-K751 PolarHBondContact O-N 3.16Å; R748-K751 PolarHBondContact O-N 3.07Å; K751-L753 PolarHBondContact O-N 2.87Å; K751-T754 WeakPolarHBondContact CA-OG1 3.37Å; K751-T754 PolarHBondContact O-N 2.8Å; K751-T754 VanDerWaalsContact O-N 3.13Å; K751-T754 PolarHBondContact O-OG1 3.39Å; K751-E755 PolarHBondContact O-N 2.96Å
752	M	45	Very low	45.1	Very low	118 Å²	118	119.5 Å²	119.5	58%	0.581	62%	0.618	S	S	*	*	H	α-helix	trans	-59.8	-44	174.5	-78	-75.4	171.7	0	0	111.7	R748 T754 E755 T756	R748-M752 WeakPolarHBondContact O-CB 3.04Å; R748-M752 WeakPolarHBondContact O-CG 3.44Å; R748-M752 PolarHBondContact O-N 3.4Å; M752-T754 VanDerWaalsContact C-N 3.26Å; M752-T754 PolarHBondContact O-N 3.3Å; M752-E755 PolarHBondContact O-N 3.11Å; M752-T756 WeakPolarHBondContact O-CB 3.34Å; M752-T756 WeakPolarHBondContact O-CG2 3.45Å; M752-T756 PolarHBondContact O-N 2.94Å; M752-T756 PolarHBondContact O-OG1 3.33Å
753	L	41.4	Very low	43.2	Very low	122 Å²	122	123.4 Å²	123.4	64%	0.639	64%	0.639	S	S	*	*	H	α-helix	trans	-65.6	-25.4	176.6	-79.5	161.5	0	0	0	114.1	K749 R750 K751	K749-L753 WeakPolarHBondContact O-CG 3.29Å; K749-L753 PolarHBondContact O-N 3.39Å; R750-L753 PolarHBondContact O-N 3.1Å; K751-L753 PolarHBondContact O-N 2.87Å
754	T	36.7	Very low	41.8	Very low	96 Å²	96	126.6 Å²	126.6	59%	0.589	66%	0.657	S	S	*	*	H	α-helix	trans	-86.4	-19.3	174.2	46.1	0	0	0	0	113.8	R750 K751 M752 T757	R750-T754 PolarHBondContact O-N 3.27Å; R750-T754 VanDerWaalsContact O-N 3.14Å; R750-T754 PolarHBondContact O-OG1 2.92Å; R750-T754 VanDerWaalsContact O-OG1 3.11Å; K751-T754 WeakPolarHBondContact CA-OG1 3.37Å; K751-T754 PolarHBondContact O-N 2.8Å; K751-T754 VanDerWaalsContact O-N 3.13Å; K751-T754 PolarHBondContact O-OG1 3.39Å; M752-T754 VanDerWaalsContact C-N 3.26Å; M752-T754 PolarHBondContact O-N 3.3Å; T754-T757 PolarHBondContact O-OG1 2.89Å
755	E	33.7	Very low	40.1	Very low	115 Å²	115	129 Å²	129	54%	0.537	67%	0.671	S	S	.	*	H	α-helix	trans	-98	-31.4	179.5	-74	170.4	-175.4	0	0	112.1	K751 M752 T757 K758	K751-E755 PolarHBondContact O-N 2.96Å; M752-E755 PolarHBondContact O-N 3.11Å; E755-T757 PolarHBondContact O-N 2.93Å; E755-T757 VanDerWaalsContact O-N 3.16Å; E755-K758 PolarHBondContact O-N 2.9Å; E755-K758 VanDerWaalsContact O-N 3.07Å
756	T	32.5	Very low	38.2	Very low	84 Å²	84	130.1 Å²	130.1	52%	0.515	68%	0.681	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.3	2.8	176.5	57.1	0	0	0	0	114.6	M752 K758	M752-T756 WeakPolarHBondContact O-CB 3.34Å; M752-T756 WeakPolarHBondContact O-CG2 3.45Å; M752-T756 PolarHBondContact O-N 2.94Å; M752-T756 PolarHBondContact O-OG1 3.33Å; T756-K758 VanDerWaalsContact C-N 3.26Å
757	T	30.5	Very low	36.5	Very low	115 Å²	115	134.6 Å²	134.6	71%	0.706	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	6.4	164	32	0	0	0	0	113.1	T754 E755	T754-T757 PolarHBondContact O-OG1 2.89Å; E755-T757 PolarHBondContact O-N 2.93Å; E755-T757 VanDerWaalsContact O-N 3.16Å
758	K	29.9	Very low	34.5	Very low	194 Å²	194	135.7 Å²	135.7	84%	0.843	71%	0.712	S	S	*	*	S	Bend	trans	-139.1	52.6	173.4	-68.9	-170.6	175.6	-174.8	0	113.5	E755 T756	E755-K758 PolarHBondContact O-N 2.9Å; E755-K758 VanDerWaalsContact O-N 3.07Å; T756-K758 VanDerWaalsContact C-N 3.26Å
759	S	26.4	Very low	32.5	Very low	100 Å²	100	133.1 Å²	133.1	70%	0.699	71%	0.713	S	S	*	*			trans	-179.6	92.8	157.1	52.2	0	0	0	0	112
760	S	26.8	Very low	30.8	Very low	102 Å²	102	134.2 Å²	134.2	71%	0.713	72%	0.72	S	S	*	*			trans	-173.1	80.3	155.5	56.9	0	0	0	0	105.2
761	S	24.3	Very low	29.7	Very low	116 Å²	116	132.7 Å²	132.7	81%	0.811	72%	0.721	S	S	*	*				44.5	90.4	77.3	77.4	0	0	0	0	113.9
762	S	25.2	Very low	28.6	Very low	99 Å²	99	133.8 Å²	133.8	69%	0.692	73%	0.733	S	S	*	*				172.6	116.3	125.7	55.6	0	0	0	0	109.7
763	D	27	Very low	27.6	Very low	146 Å²	146	133.8 Å²	133.8	78%	0.781	74%	0.744	S	S	*	*			trans	81.6	131.8	142.6	-48.8	-24.2	0	0	0	121
764	D	28.1	Very low	26.8	Very low	156 Å²	156	132.8 Å²	132.8	83%	0.834	75%	0.747	S	S	*	*			trans	91.7	102	160.4	-54.5	-27.3	0	0	0	118.6	D766	D764-D766 PolarHBondContact O-N 3.36Å
765	D	25.8	Very low	26.3	Very low	156 Å²	156	132.5 Å²	132.5	83%	0.834	76%	0.755	S	S	*	*			trans	-41.2	123.5	161.5	-63.1	-60.8	0	0	0	111.9
766	D	26.1	Very low	25.8	Very low	155 Å²	155	132.7 Å²	132.7	83%	0.829	76%	0.763	S	S	*	*			trans	-173.5	114.7	138.6	-91.3	-33.3	0	0	0	107.4	D764 P768	D764-D766 PolarHBondContact O-N 3.36Å; D766-P768 WeakPolarHBondContact O-CD 3.4Å
767	E	21.2	Very low	25.3	Very low	203 Å²	203	135.8 Å²	135.8	95%	0.949	78%	0.775	S	S	*	*			trans	-75.9	115.9	166.1	-83.7	-167.8	143.4	0	0	109.4
768	P	24.5	Very low	24.9	Very low	120 Å²	120	139.8 Å²	139.8	78%	0.779	78%	0.777	S	S	*	*			trans	-109.5	103.8	149.6	34.3	-30.3	0	0	0	109.4	D766 E770	D766-P768 WeakPolarHBondContact O-CD 3.4Å; P768-E770 PolarHBondContact O-N 3.2Å
769	N	23.7	Very low	24.7	Very low	134 Å²	134	133.5 Å²	133.5	72%	0.717	76%	0.757	S	S	*	*			trans	-45.5	104.2	159.6	-165.2	15	0	0	0	111.2
770	E	24.5	Very low	24.8	Very low	179 Å²	179	137 Å²	137	84%	0.836	77%	0.767	S	S	*	*			trans	-140.6	98.8	163	-110.7	-175.9	-160.6	0	0	112.6	P768 N772	P768-E770 PolarHBondContact O-N 3.2Å; E770-N772 PolarHBondContact O-N 3.2Å
771	Q	23.4	Very low	25	Very low	149 Å²	149	136.6 Å²	136.6	70%	0.696	76%	0.757	S	S	*	*			trans	-61.2	109.8	170.3	-64.8	160.5	-11	0	0	110.3
772	N	23.8	Very low	25.1	Very low	151 Å²	151	140.3 Å²	140.3	81%	0.807	75%	0.753	S	S	*	*			trans	-142.3	57.8	161.6	-98.4	-37.5	0	0	0	110.3	E770 S774	E770-N772 PolarHBondContact O-N 3.2Å; N772-S774 PolarHBondContact O-N 3.45Å; N772-S774 VanDerWaalsContact O-N 3.16Å
773	S	25.2	Very low	25.2	Very low	117 Å²	117	138.4 Å²	138.4	82%	0.818	74%	0.743	S	S	*	*			trans	-83.1	86	171.2	60.7	0	0	0	0	110.1	A775	S773-A775 PolarHBondContact O-N 3.25Å
774	S	24.3	Very low	25.5	Very low	101 Å²	101	135.8 Å²	135.8	71%	0.706	73%	0.734	S	S	*	*			trans	-60.7	106.4	166.2	59.7	0	0	0	0	109.5	N772 V776	N772-S774 PolarHBondContact O-N 3.45Å; N772-S774 VanDerWaalsContact O-N 3.16Å; S774-V776 PolarHBondContact O-N 3.08Å
775	A	24.7	Very low	25.5	Very low	90 Å²	90	135.3 Å²	135.3	74%	0.744	73%	0.732	S	S	*	*			trans	-61.6	106.9	173.2	0	0	0	0	0	109.7	S773 I777	S773-A775 PolarHBondContact O-N 3.25Å; A775-I777 PolarHBondContact O-N 3.48Å
776	V	23.3	Very low	25.5	Very low	119 Å²	119	133.8 Å²	133.8	72%	0.721	72%	0.723	S	S	*	*			trans	-72.1	90.7	179.1	-179.2	0	0	0	0	108.9	S774 R778	S774-V776 PolarHBondContact O-N 3.08Å; V776-R778 PolarHBondContact O-N 3.4Å
777	I	22.9	Very low	25.7	Very low	149 Å²	149	134.1 Å²	134.1	76%	0.764	72%	0.718	S	S	*	*			trans	-67.1	112.4	169.5	-60.6	175.2	0	0	0	107.6	A775	A775-I777 PolarHBondContact O-N 3.48Å
778	R	22.1	Very low	25.9	Very low	199 Å²	199	133 Å²	133	75%	0.751	71%	0.712	S	S	*	*			trans	-71.7	128.8	-178.9	-70.8	-175.5	177.4	-175.4	0.2	109.9	V776 L780	V776-R778 PolarHBondContact O-N 3.4Å; R778-L780 PolarHBondContact O-N 2.98Å
779	P	25.9	Very low	26.3	Very low	63 Å²	63	134 Å²	134	41%	0.409	71%	0.711	S	S	.	*			trans	-61	126.5	178.4	-18.4	29.6	0	0	0	110.9	V227 D781	V227-P779 HydrophobicContact CG2-CB 3.64Å; V227-P779 HydrophobicContact CG2-CG 3.66Å; P779-D781 PolarHBondContact O-N 3.4Å
780	L	29.3	Very low	26.6	Very low	174 Å²	174	135.3 Å²	135.3	91%	0.911	72%	0.716	S	S	*	*	S	Bend	trans	-77.3	60.9	176.8	-160.8	76.6	0	0	0	110.6	R778	R778-L780 PolarHBondContact O-N 2.98Å
781	D	29.2	Very low	27.2	Very low	93 Å²	93	132.1 Å²	132.1	50%	0.497	71%	0.711	S	S	.	*			trans	-130.2	34.9	171.7	-87.6	-28	0	0	0	110	P779	P779-D781 PolarHBondContact O-N 3.4Å
782	R	26.3	Very low	28.5	Very low	193 Å²	193	129 Å²	129	73%	0.728	70%	0.704	S	S	*	*			trans	-70.6	136	163.9	-92.5	-172.5	178.1	179	-2.8	108.4
783	A	28.6	Very low	30.2	Very low	60 Å²	60	130.9 Å²	130.9	50%	0.496	70%	0.7	S	S	.	*			trans	-48.4	152.9	-177.7	0	0	0	0	0	111.5	N785	A783-N785 PolarHBondContact O-N 3.31Å
784	P	32.5	Very low	32.1	Very low	90 Å²	90	127.8 Å²	127.8	58%	0.584	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	4.2	-166.5	-20	31.1	0	0	0	116.8
785	N	28	Very low	34.2	Very low	147 Å²	147	125.3 Å²	125.3	79%	0.786	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-9.7	-172.3	-70.4	7.5	0	0	0	114.4	A783	A783-N785 PolarHBondContact O-N 3.31Å
786	D	26.6	Very low	36.5	Very low	124 Å²	124	128.7 Å²	128.7	66%	0.663	65%	0.651	S	S	*	*			trans	-118.4	62.3	179.1	-68.9	-19.8	0	0	0	111.5	Q788	D786-Q788 VanDerWaalsContact C-N 3.28Å; D786-Q788 PolarHBondContact O-N 3.02Å
787	F	29.1	Very low	39	Very low	161 Å²	161	123.9 Å²	123.9	71%	0.706	62%	0.621	S	S	*	*			trans	-86.6	70.9	159.6	-86.3	-86.8	0	0	0	109
788	Q	26.8	Very low	41.5	Very low	179 Å²	179	118.4 Å²	118.4	84%	0.836	60%	0.595	S	S	*	*			trans	-88.3	114.6	150.7	-89.2	177.6	-13.4	0	0	105.8	D786 I790	D786-Q788 VanDerWaalsContact C-N 3.28Å; D786-Q788 PolarHBondContact O-N 3.02Å; Q788-I790 PolarHBondContact O-N 3.48Å
789	L	31.8	Very low	44.2	Very low	143 Å²	143	113 Å²	113	75%	0.749	58%	0.581	S	S	*	*			trans	-51.8	108	171.2	-83.2	100.5	0	0	0	107.5	P791	L789-P791 WeakPolarHBondContact O-CD 3.42Å
790	I	30.8	Very low	46.8	Very low	161 Å²	161	112.3 Å²	112.3	83%	0.826	57%	0.572	S	S	*	*			trans	-70.8	111.2	167.7	-58.2	170.9	0	0	0	104.3	Q788 C792	Q788-I790 PolarHBondContact O-N 3.48Å; I790-C792 PolarHBondContact O-N 3Å
791	P	36.5	Very low	49.2	Very low	111 Å²	111	104 Å²	104	72%	0.721	53%	0.529	S	S	*	.			trans	-58.8	129.2	179	-19.2	32.8	0	0	0	107.9	L789 R793	L789-P791 WeakPolarHBondContact O-CD 3.42Å; P791-R793 PolarHBondContact O-N 3.49Å
792	C	51.1	Low	51.6	Low	83 Å²	83	102 Å²	102	56%	0.561	51%	0.514	S	S	*	.			trans	-53.7	118.1	179.8	-176.1	0	0	0	0	108.2	I790 Y794 A795	I790-C792 PolarHBondContact O-N 3Å; C792-Y794 PolarHBondContact O-N 3.32Å; C792-A795 HydrophobicContact CB-CB 4.08Å; C792-A795 WeakPolarHBondContact O-CB 3.4Å; C792-A795 PolarHBondContact O-N 2.93Å
793	R	60	Low	54.3	Low	191 Å²	191	97 Å²	97	72%	0.721	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-24.9	-175.1	-174.9	-179.5	179	-167.9	-0.1	113.2	P791	P791-R793 PolarHBondContact O-N 3.49Å
794	Y	65.4	Low	56.9	Low	52 Å²	52	96 Å²	96	20%	0.204	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-1.4	-177	-49.8	-82.5	0	0	0	114.8	C792 Y796 L797 V798 D829 V832 M836	C792-Y794 PolarHBondContact O-N 3.32Å; Y794-Y796 VanDerWaalsContact C-N 3.27Å; Y794-Y796 PolarHBondContact O-N 3.34Å; Y794-L797 HydrophobicContact CD1-CD2 4.31Å; Y794-L797 WeakPolarHBondContact O-CA 3.29Å; Y794-L797 WeakPolarHBondContact O-CB 3.42Å; Y794-L797 PolarHBondContact O-N 3.42Å; Y794-V798 WeakPolarHBondContact O-CG2 3.44Å; Y794-V798 PolarHBondContact O-N 3.03Å; Y794-D829 VanDerWaalsContact OH-CG 3.31Å; Y794-D829 PolarHBondContact OH-OD2 3.31Å; Y794-V832 HydrophobicContact CD2-CG1 4.49Å; Y794-V832 HydrophobicContact CE2-CG1 4.4Å; Y794-M836 HydrophobicContact CD1-CE 4.2Å; Y794-M836 HydrophobicContact CD2-CE 3.78Å; Y794-M836 HydrophobicContact CG-CE 3.48Å; Y794-M836 VanDerWaalsContact CG-CE 3.48Å; Y794-M836 HydrophobicContact CG-SD 4.23Å
795	A	66.4	Low	59.3	Low	49 Å²	49	91.8 Å²	91.8	41%	0.405	46%	0.458	S	S	.	.	H	α-helix	trans	-58	-45.3	175.7	0	0	0	0	0	110.6	C792 L797 V798 D799	C792-A795 HydrophobicContact CB-CB 4.08Å; C792-A795 WeakPolarHBondContact O-CB 3.4Å; C792-A795 PolarHBondContact O-N 2.93Å; A795-L797 VanDerWaalsContact C-N 3.28Å; A795-L797 PolarHBondContact O-N 3.08Å; A795-V798 PolarHBondContact O-N 3.5Å; A795-V798 VanDerWaalsContact O-N 3.15Å; A795-D799 PolarHBondContact O-N 3.13Å
796	Y	73.5	Confident	61.8	Low	162 Å²	162	89.4 Å²	89.4	64%	0.635	44%	0.443	S	S	*	.	H	α-helix	trans	-59.7	-37.8	173.6	-172.6	-99.7	0	0	0	112.7	Y794 D799 Q800	Y794-Y796 VanDerWaalsContact C-N 3.27Å; Y794-Y796 PolarHBondContact O-N 3.34Å; Y796-D799 PolarHBondContact O-N 2.64Å; Y796-Q800 HydrophobicContact CD1-CG 4Å; Y796-Q800 HydrophobicContact CE1-CG 3.69Å; Y796-Q800 VanDerWaalsContact CZ-NE2 3.3Å; Y796-Q800 WeakPolarHBondContact O-CB 3.43Å; Y796-Q800 VanDerWaalsContact O-CG 3.23Å; Y796-Q800 WeakPolarHBondContact O-CG 3.33Å; Y796-Q800 PolarHBondContact O-N 3.41Å; Y796-Q800 PolarHBondContact OH-NE2 2.9Å
797	L	76.3	Confident	64.4	Low	17 Å²	17	94.5 Å²	94.5	9%	0.089	45%	0.452	C	S	.	.	H	α-helix	trans	-66.3	-39.1	177.3	-164.2	85.4	0	0	0	111.5	Y794 A795 Q800 L801 F821 Q824 I825 F833	Y794-L797 HydrophobicContact CD1-CD2 4.31Å; Y794-L797 WeakPolarHBondContact O-CA 3.29Å; Y794-L797 WeakPolarHBondContact O-CB 3.42Å; Y794-L797 PolarHBondContact O-N 3.42Å; A795-L797 VanDerWaalsContact C-N 3.28Å; A795-L797 PolarHBondContact O-N 3.08Å; L797-Q800 PolarHBondContact O-N 2.96Å; L797-L801 WeakPolarHBondContact O-CB 3.48Å; L797-L801 PolarHBondContact O-N 3.09Å; L797-F821 HydrophobicContact CD1-CD1 4.19Å; L797-Q824 HydrophobicContact CD1-CB 4.04Å; L797-I825 HydrophobicContact CD2-CD1 4.39Å; L797-I825 HydrophobicContact CD2-CG1 4.03Å; L797-F833 HydrophobicContact CD2-CD2 3.92Å; L797-F833 HydrophobicContact CD2-CE2 4.29Å
798	V	76.2	Confident	66.8	Low	35 Å²	35	89.2 Å²	89.2	21%	0.212	44%	0.435	C	S	.	.	H	α-helix	trans	-65.6	-42.6	176.9	173.8	0	0	0	0	110.9	Y794 A795 L801 R802 M836 I840	Y794-V798 WeakPolarHBondContact O-CG2 3.44Å; Y794-V798 PolarHBondContact O-N 3.03Å; A795-V798 PolarHBondContact O-N 3.5Å; A795-V798 VanDerWaalsContact O-N 3.15Å; V798-L801 WeakPolarHBondContact O-CB 3.47Å; V798-L801 PolarHBondContact O-N 3.14Å; V798-R802 PolarHBondContact O-N 3.23Å; V798-M836 HydrophobicContact CG2-CB 4.19Å; V798-M836 HydrophobicContact CG2-CG 3.95Å; V798-M836 HydrophobicContact CG2-SD 3.88Å; V798-I840 HydrophobicContact CG1-CG2 4.03Å
799	D	77.4	Confident	69.3	Low	86 Å²	86	84.1 Å²	84.1	46%	0.46	43%	0.431	S	S	.	.	H	α-helix	trans	-66	-41.2	176.8	-71.9	-19.6	0	0	0	111.7	A795 Y796 L801 R802 L803	A795-D799 PolarHBondContact O-N 3.13Å; Y796-D799 PolarHBondContact O-N 2.64Å; D799-L801 VanDerWaalsContact C-N 3.35Å; D799-L801 PolarHBondContact O-N 2.96Å; D799-R802 WeakPolarHBondContact O-CB 3.26Å; D799-R802 PolarHBondContact O-N 3.42Å; D799-L803 WeakPolarHBondContact O-CG 3.47Å; D799-L803 PolarHBondContact O-N 3.15Å
800	Q	80.3	Confident	71.6	Confident	48 Å²	48	78.3 Å²	78.3	22%	0.224	41%	0.406	C	S	.	.	H	α-helix	trans	-62	-41.3	174.2	-72.9	-67.3	-23.1	0	0	112.2	Y796 L797 R802 F804 F821	Y796-Q800 HydrophobicContact CD1-CG 4Å; Y796-Q800 HydrophobicContact CE1-CG 3.69Å; Y796-Q800 VanDerWaalsContact CZ-NE2 3.3Å; Y796-Q800 WeakPolarHBondContact O-CB 3.43Å; Y796-Q800 VanDerWaalsContact O-CG 3.23Å; Y796-Q800 WeakPolarHBondContact O-CG 3.33Å; Y796-Q800 PolarHBondContact O-N 3.41Å; Y796-Q800 PolarHBondContact OH-NE2 2.9Å; L797-Q800 PolarHBondContact O-N 2.96Å; Q800-R802 VanDerWaalsContact C-N 3.33Å; Q800-F804 VanDerWaalsContact O-CB 3.29Å; Q800-F804 WeakPolarHBondContact O-CB 3.44Å; Q800-F804 PolarHBondContact O-N 2.96Å; Q800-F821 HydrophobicContact CB-CE1 3.98Å; Q800-F821 HydrophobicContact CB-CZ 4.4Å
801	L	80.9	Confident	74.1	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-59	-44.6	172.6	-100.4	166.2	0	0	0	111.7	L797 V798 D799 F804 L805 I817 F821 F833 L837 I840	L797-L801 WeakPolarHBondContact O-CB 3.48Å; L797-L801 PolarHBondContact O-N 3.09Å; V798-L801 WeakPolarHBondContact O-CB 3.47Å; V798-L801 PolarHBondContact O-N 3.14Å; D799-L801 VanDerWaalsContact C-N 3.35Å; D799-L801 PolarHBondContact O-N 2.96Å; L801-F804 PolarHBondContact O-N 2.86Å; L801-L805 WeakPolarHBondContact O-CD1 3.45Å; L801-L805 WeakPolarHBondContact O-CG 3.39Å; L801-L805 PolarHBondContact O-N 3.25Å; L801-I817 HydrophobicContact CD2-CG2 4.17Å; L801-F821 HydrophobicContact CB-CZ 4.32Å; L801-F821 HydrophobicContact CD2-CD2 4.01Å; L801-F821 HydrophobicContact CD2-CE2 3.69Å; L801-F821 HydrophobicContact CD2-CZ 4.09Å; L801-F821 HydrophobicContact CG-CD2 4.39Å; L801-F821 HydrophobicContact CG-CE1 4.17Å; L801-F821 HydrophobicContact CG-CE2 4Å; L801-F821 HydrophobicContact CG-CZ 3.89Å; L801-F833 HydrophobicContact CD1-CD2 4.11Å; L801-F833 HydrophobicContact CD1-CE2 3.46Å; L801-F833 VanDerWaalsContact CD1-CE2 3.46Å; L801-F833 HydrophobicContact CD1-CZ 4.17Å; L801-F833 HydrophobicContact CD2-CE2 4.22Å; L801-F833 HydrophobicContact CD2-CZ 4.17Å; L801-F833 HydrophobicContact CG-CE2 4.06Å; L801-L837 HydrophobicContact CD1-CD1 3.95Å; L801-L837 HydrophobicContact CD2-CD1 3.55Å; L801-L837 HydrophobicContact CG-CD1 4.42Å; L801-I840 HydrophobicContact CB-CD1 3.83Å; L801-I840 HydrophobicContact CD1-CD1 4.29Å
802	R	79.7	Confident	76.5	Confident	49 Å²	49	70.8 Å²	70.8	19%	0.185	36%	0.359	C	S	.	.	H	α-helix	trans	-61.5	-52	178.5	-128.4	-176.4	-162.3	-166	3.1	111.5	V798 D799 Q800 F804 L805 E806 L855 L859	V798-R802 PolarHBondContact O-N 3.23Å; D799-R802 WeakPolarHBondContact O-CB 3.26Å; D799-R802 PolarHBondContact O-N 3.42Å; Q800-R802 VanDerWaalsContact C-N 3.33Å; R802-F804 VanDerWaalsContact C-N 3.26Å; R802-F804 PolarHBondContact O-N 3.43Å; R802-L805 PolarHBondContact O-N 3.23Å; R802-L805 VanDerWaalsContact O-N 3.14Å; R802-E806 WeakPolarHBondContact O-CG 3.42Å; R802-E806 PolarHBondContact O-N 3.35Å; R802-L855 HydrophobicContact CG-CD1 4.05Å; R802-L859 VanDerWaalsContact NH2-CD2 3.34Å; R802-L859 PolarHBondContact NH2-O 3.36Å
803	L	82.2	Confident	78.2	Confident	90 Å²	90	70.2 Å²	70.2	47%	0.471	35%	0.353	S	S	.	.	H	α-helix	trans	-59.9	-37	178.7	-74.5	166.4	0	0	0	112.1	D799 R807	D799-L803 WeakPolarHBondContact O-CG 3.47Å; D799-L803 PolarHBondContact O-N 3.15Å; L803-R807 WeakPolarHBondContact O-CB 3.34Å; L803-R807 WeakPolarHBondContact O-CG 3.37Å; L803-R807 PolarHBondContact O-N 3.35Å
804	F	83.1	Confident	79.2	Confident	39 Å²	39	63.2 Å²	63.2	17%	0.171	33%	0.332	C	S	.	.	H	α-helix	trans	-66	-44.7	175.7	175.4	-102.5	0	0	0	112.2	Q800 L801 R802 R807 S808 A812 S816 I817 R820 F821	Q800-F804 VanDerWaalsContact O-CB 3.29Å; Q800-F804 WeakPolarHBondContact O-CB 3.44Å; Q800-F804 PolarHBondContact O-N 2.96Å; L801-F804 PolarHBondContact O-N 2.86Å; R802-F804 VanDerWaalsContact C-N 3.26Å; R802-F804 PolarHBondContact O-N 3.43Å; F804-R807 PolarHBondContact O-N 2.94Å; F804-S808 WeakPolarHBondContact O-CB 3.45Å; F804-S808 PolarHBondContact O-N 3.46Å; F804-S808 VanDerWaalsContact O-N 3.08Å; F804-S808 PolarHBondContact O-OG 3.42Å; F804-A812 HydrophobicContact CE1-CB 4Å; F804-S816 WeakPolarHBondContact CZ-OG 3.47Å; F804-I817 HydrophobicContact CE1-CG1 4.18Å; F804-R820 HydrophobicContact CD2-CG 4.07Å; F804-R820 HydrophobicContact CE2-CB 4.29Å; F804-R820 HydrophobicContact CE2-CG 4.02Å; F804-R820 HydrophobicContact CZ-CB 4.32Å; F804-F821 HydrophobicContact CB-CE2 4.16Å; F804-F821 HydrophobicContact CB-CZ 4.09Å; F804-F821 AromaticContact CD1-CE2 3.96Å; F804-F821 HydrophobicContact CD1-CE2 3.96Å; F804-F821 HydrophobicContact CG-CE2 4.05Å; F804-F821 HydrophobicContact CG-CZ 4.43Å
805	L	83.5	Confident	80	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-67.6	-41.1	178	-73.3	159.6	0	0	0	111.7	L801 R802 S808 G809 G810 A812 I817 I840 C841 L855	L801-L805 WeakPolarHBondContact O-CD1 3.45Å; L801-L805 WeakPolarHBondContact O-CG 3.39Å; L801-L805 PolarHBondContact O-N 3.25Å; R802-L805 PolarHBondContact O-N 3.23Å; R802-L805 VanDerWaalsContact O-N 3.14Å; L805-S808 CarbonylContact O-C 3.42Å; L805-S808 PolarHBondContact O-N 3.42Å; L805-S808 VanDerWaalsContact O-N 3.11Å; L805-G809 PolarHBondContact O-N 3.36Å; L805-G810 VanDerWaalsContact O-CA 3.31Å; L805-G810 WeakPolarHBondContact O-CA 3.25Å; L805-G810 PolarHBondContact O-N 3.43Å; L805-A812 HydrophobicContact CD2-CB 3.62Å; L805-I817 HydrophobicContact CD2-CD1 4.44Å; L805-I840 HydrophobicContact CD1-CD1 4.19Å; L805-C841 WeakPolarHBondContact CD1-SG 3.45Å; L805-L855 HydrophobicContact CD1-CD1 4.09Å
806	E	80.7	Confident	80.8	Confident	98 Å²	98	66.5 Å²	66.5	46%	0.458	35%	0.35	S	S	.	.	H	α-helix	trans	-61.6	-43.6	175	-74.4	172.9	-177.6	0	0	111.7	R802 S808 G809 L855	R802-E806 WeakPolarHBondContact O-CG 3.42Å; R802-E806 PolarHBondContact O-N 3.35Å; E806-S808 PolarHBondContact O-N 3.36Å; E806-G809 PolarHBondContact O-N 2.91Å; E806-G809 VanDerWaalsContact O-N 3.13Å; E806-L855 HydrophobicContact CG-CD2 3.91Å
807	R	80.1	Confident	81.3	Confident	230 Å²	230	59 Å²	59	87%	0.868	32%	0.32	S	S	*	.	H	α-helix	trans	-63.6	-26	173.7	-83.9	179.5	157.5	168.4	-4.8	113.7	L803 F804 G809	L803-R807 WeakPolarHBondContact O-CB 3.34Å; L803-R807 WeakPolarHBondContact O-CG 3.37Å; L803-R807 PolarHBondContact O-N 3.35Å; F804-R807 PolarHBondContact O-N 2.94Å; R807-G809 VanDerWaalsContact C-N 3.27Å
808	S	80	Confident	81.6	Confident	50 Å²	50	61.8 Å²	61.8	35%	0.35	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	12.6	177.6	-51.8	0	0	0	0	112.8	F804 L805 E806 E811	F804-S808 WeakPolarHBondContact O-CB 3.45Å; F804-S808 PolarHBondContact O-N 3.46Å; F804-S808 VanDerWaalsContact O-N 3.08Å; F804-S808 PolarHBondContact O-OG 3.42Å; L805-S808 CarbonylContact O-C 3.42Å; L805-S808 PolarHBondContact O-N 3.42Å; L805-S808 VanDerWaalsContact O-N 3.11Å; E806-S808 PolarHBondContact O-N 3.36Å; S808-E811 VanDerWaalsContact CB-O 3.25Å; S808-E811 WeakPolarHBondContact CB-O 3.32Å
809	G	79.3	Confident	81.9	Confident	72 Å²	72	63.9 Å²	63.9	74%	0.742	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	16.1	-180	0	0	0	0	0	114.4	L805 E806 R807	L805-G809 PolarHBondContact O-N 3.36Å; E806-G809 PolarHBondContact O-N 2.91Å; E806-G809 VanDerWaalsContact O-N 3.13Å; R807-G809 VanDerWaalsContact C-N 3.27Å
810	G	80.9	Confident	82.1	Confident	21 Å²	21	65.1 Å²	65.1	22%	0.216	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	92	-1.2	178.8	0	0	0	0	0	114.8	L805 L855	L805-G810 VanDerWaalsContact O-CA 3.31Å; L805-G810 WeakPolarHBondContact O-CA 3.25Å; L805-G810 PolarHBondContact O-N 3.43Å; G810-L855 PolarHBondContact O-N 3.45Å
811	E	83.6	Confident	82.2	Confident	105 Å²	105	63 Å²	63	49%	0.491	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.4	177.3	62.4	-177	-166.6	0	0	112.8	S808 W853 L854	S808-E811 VanDerWaalsContact CB-O 3.25Å; S808-E811 WeakPolarHBondContact CB-O 3.32Å; E811-W853 VanDerWaalsContact CA-O 3.28Å; E811-W853 WeakPolarHBondContact CA-O 3.29Å; E811-L854 HydrophobicContact CB-CD2 4.11Å; E811-L854 HydrophobicContact CB-CG 4.5Å
812	A	85.4	Confident	82.1	Confident	10 Å²	10	69.4 Å²	69.4	8%	0.083	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	142	172.4	0	0	0	0	0	111.8	F804 L805 I817 W853	F804-A812 HydrophobicContact CE1-CB 4Å; L805-A812 HydrophobicContact CD2-CB 3.62Å; A812-I817 HydrophobicContact CB-CD1 4.08Å; A812-I817 HydrophobicContact CB-CG1 3.83Å; A812-W853 PolarHBondContact N-O 2.67Å; A812-W853 PolarHBondContact O-N 2.88Å
813	T	86.7	Confident	81.9	Confident	71 Å²	71	72.3 Å²	72.3	44%	0.436	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	151.8	172.1	55.1	0	0	0	0	111.1	D815 S816 I817	T813-D815 VanDerWaalsContact C-N 3.26Å; T813-D815 PolarHBondContact O-N 3.27Å; T813-S816 PolarHBondContact O-N 3.02Å; T813-S816 VanDerWaalsContact OG1-CB 3.26Å; T813-S816 WeakPolarHBondContact OG1-CB 3.5Å; T813-S816 PolarHBondContact OG1-N 3.49Å; T813-I817 PolarHBondContact O-N 3.25Å
814	T	81.8	Confident	81.6	Confident	43 Å²	43	71.8 Å²	71.8	26%	0.264	40%	0.397	S	S	.	.	H	α-helix	trans	-54.8	-41.6	178.2	-55.3	0	0	0	0	112.3	S816 I817 I818 G851 W853	T814-S816 PolarHBondContact O-N 2.73Å; T814-I817 PolarHBondContact O-N 3.44Å; T814-I818 HydrophobicContact CG2-CD1 3.79Å; T814-I818 HydrophobicContact CG2-CG1 4.42Å; T814-I818 WeakPolarHBondContact O-CG1 3.47Å; T814-I818 PolarHBondContact O-N 2.93Å; T814-G851 PolarHBondContact N-O 3.11Å; T814-G851 VanDerWaalsContact N-O 3.11Å; T814-G851 PolarHBondContact OG1-O 2.99Å; T814-W853 PolarHBondContact OG1-NE1 3.18Å
815	D	82	Confident	81	Confident	122 Å²	122	71.2 Å²	71.2	65%	0.652	40%	0.396	S	S	*	.	H	α-helix	trans	-66.2	-39.8	-178.5	-57.3	-35.2	0	0	0	112.6	T813 I817 I818 A819	T813-D815 VanDerWaalsContact C-N 3.26Å; T813-D815 PolarHBondContact O-N 3.27Å; D815-I817 PolarHBondContact O-N 3.11Å; D815-I818 PolarHBondContact O-N 3.26Å; D815-A819 VanDerWaalsContact O-CB 3.29Å; D815-A819 WeakPolarHBondContact O-CB 3.45Å; D815-A819 PolarHBondContact O-N 3.46Å
816	S	83.4	Confident	80.5	Confident	49 Å²	49	74.2 Å²	74.2	34%	0.343	42%	0.415	S	S	.	.	H	α-helix	trans	-63.2	-39.8	176	-174.2	0	0	0	0	112.4	F804 T813 T814 R820	F804-S816 WeakPolarHBondContact CZ-OG 3.47Å; T813-S816 PolarHBondContact O-N 3.02Å; T813-S816 VanDerWaalsContact OG1-CB 3.26Å; T813-S816 WeakPolarHBondContact OG1-CB 3.5Å; T813-S816 PolarHBondContact OG1-N 3.49Å; T814-S816 PolarHBondContact O-N 2.73Å; S816-R820 WeakPolarHBondContact O-CB 3.07Å; S816-R820 PolarHBondContact O-N 3.5Å
817	I	84.6	Confident	79.9	Confident	3 Å²	3	77.8 Å²	77.8	2%	0.015	43%	0.432	C	S	.	.	H	α-helix	trans	-66.8	-46	175.6	-64.7	177.5	0	0	0	110.5	L801 F804 L805 A812 T813 T814 D815 R820 F821 F833 L837 W853	L801-I817 HydrophobicContact CD2-CG2 4.17Å; F804-I817 HydrophobicContact CE1-CG1 4.18Å; L805-I817 HydrophobicContact CD2-CD1 4.44Å; A812-I817 HydrophobicContact CB-CD1 4.08Å; A812-I817 HydrophobicContact CB-CG1 3.83Å; T813-I817 PolarHBondContact O-N 3.25Å; T814-I817 PolarHBondContact O-N 3.44Å; D815-I817 PolarHBondContact O-N 3.11Å; I817-R820 PolarHBondContact O-N 3.35Å; I817-F821 HydrophobicContact CG2-CD2 4.18Å; I817-F821 WeakPolarHBondContact O-CD2 3.22Å; I817-F821 PolarHBondContact O-N 3.03Å; I817-F821 VanDerWaalsContact O-N 3.1Å; I817-F833 HydrophobicContact CG2-CE1 3.97Å; I817-F833 HydrophobicContact CG2-CZ 3.68Å; I817-L837 HydrophobicContact CD1-CD1 4.46Å; I817-L837 HydrophobicContact CD1-CD2 3.99Å; I817-L837 HydrophobicContact CG2-CD1 3.76Å; I817-W853 HydrophobicContact CD1-CB 3.89Å; I817-W853 HydrophobicContact CD1-CG 3.86Å
818	I	81.5	Confident	79.5	Confident	76 Å²	76	70.3 Å²	70.3	39%	0.39	43%	0.426	S	S	.	.	H	α-helix	trans	-62.4	-51.3	179.5	-66.9	170.9	0	0	0	109.5	T814 D815 R820 F821 E822	T814-I818 HydrophobicContact CG2-CD1 3.79Å; T814-I818 HydrophobicContact CG2-CG1 4.42Å; T814-I818 WeakPolarHBondContact O-CG1 3.47Å; T814-I818 PolarHBondContact O-N 2.93Å; D815-I818 PolarHBondContact O-N 3.26Å; I818-R820 PolarHBondContact O-N 3.11Å; I818-F821 PolarHBondContact O-N 2.95Å; I818-F821 VanDerWaalsContact O-N 3.14Å; I818-E822 HydrophobicContact CG2-CB 4.15Å; I818-E822 WeakPolarHBondContact O-CA 3.35Å; I818-E822 WeakPolarHBondContact O-CB 3.33Å; I818-E822 PolarHBondContact O-N 3.16Å
819	A	82.5	Confident	79.1	Confident	79 Å²	79	69.7 Å²	69.7	65%	0.653	42%	0.418	S	S	*	.	H	α-helix	trans	-55.1	-33.5	179.8	0	0	0	0	0	113.2	D815	D815-A819 VanDerWaalsContact O-CB 3.29Å; D815-A819 WeakPolarHBondContact O-CB 3.45Å; D815-A819 PolarHBondContact O-N 3.46Å
820	R	81.5	Confident	78.9	Confident	113 Å²	113	70.3 Å²	70.3	43%	0.426	41%	0.408	S	S	.	.	H	α-helix	trans	-82.2	-32.9	-178.9	-174.1	60.1	-177.8	91	-3.4	114.4	F804 S816 I817 I818	F804-R820 HydrophobicContact CD2-CG 4.07Å; F804-R820 HydrophobicContact CE2-CB 4.29Å; F804-R820 HydrophobicContact CE2-CG 4.02Å; F804-R820 HydrophobicContact CZ-CB 4.32Å; S816-R820 WeakPolarHBondContact O-CB 3.07Å; S816-R820 PolarHBondContact O-N 3.5Å; I817-R820 PolarHBondContact O-N 3.35Å; I818-R820 PolarHBondContact O-N 3.11Å
821	F	83.2	Confident	78.5	Confident	2 Å²	2	73.1 Å²	73.1	1%	0.009	43%	0.429	C	S	.	.	H	α-helix	trans	-115.1	-11.4	-169	-69	-79.1	0	0	0	114.5	L797 Q800 L801 F804 I817 I818 S823 Q824 I825 F833	L797-F821 HydrophobicContact CD1-CD1 4.19Å; Q800-F821 HydrophobicContact CB-CE1 3.98Å; Q800-F821 HydrophobicContact CB-CZ 4.4Å; L801-F821 HydrophobicContact CB-CZ 4.32Å; L801-F821 HydrophobicContact CD2-CD2 4.01Å; L801-F821 HydrophobicContact CD2-CE2 3.69Å; L801-F821 HydrophobicContact CD2-CZ 4.09Å; L801-F821 HydrophobicContact CG-CD2 4.39Å; L801-F821 HydrophobicContact CG-CE1 4.17Å; L801-F821 HydrophobicContact CG-CE2 4Å; L801-F821 HydrophobicContact CG-CZ 3.89Å; F804-F821 HydrophobicContact CB-CE2 4.16Å; F804-F821 HydrophobicContact CB-CZ 4.09Å; F804-F821 AromaticContact CD1-CE2 3.96Å; F804-F821 HydrophobicContact CD1-CE2 3.96Å; F804-F821 HydrophobicContact CG-CE2 4.05Å; F804-F821 HydrophobicContact CG-CZ 4.43Å; I817-F821 HydrophobicContact CG2-CD2 4.18Å; I817-F821 WeakPolarHBondContact O-CD2 3.22Å; I817-F821 PolarHBondContact O-N 3.03Å; I817-F821 VanDerWaalsContact O-N 3.1Å; I818-F821 PolarHBondContact O-N 2.95Å; I818-F821 VanDerWaalsContact O-N 3.14Å; F821-S823 VanDerWaalsContact C-N 3.26Å; F821-S823 PolarHBondContact O-N 3.11Å; F821-Q824 PolarHBondContact O-N 3.14Å; F821-I825 HydrophobicContact CB-CD1 3.85Å; F821-I825 WeakPolarHBondContact O-CD1 3.43Å; F821-I825 WeakPolarHBondContact O-CG1 3.43Å; F821-I825 PolarHBondContact O-N 3.41Å; F821-F833 HydrophobicContact CB-CE2 4.11Å; F821-F833 HydrophobicContact CB-CZ 3.92Å; F821-F833 HydrophobicContact CD2-CZ 4.45Å; F821-F833 HydrophobicContact CG-CE2 4.32Å; F821-F833 HydrophobicContact CG-CZ 4.27Å
822	E	77.2	Confident	78	Confident	136 Å²	136	70.8 Å²	70.8	64%	0.636	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-55	-41	179.1	178.7	171.6	-151.4	0	0	111.9	I818 Q824 I825	I818-E822 HydrophobicContact CG2-CB 4.15Å; I818-E822 WeakPolarHBondContact O-CA 3.35Å; I818-E822 WeakPolarHBondContact O-CB 3.33Å; I818-E822 PolarHBondContact O-N 3.16Å; E822-Q824 PolarHBondContact O-N 2.92Å; E822-I825 PolarHBondContact O-N 3.4Å
823	S	76.7	Confident	77.6	Confident	110 Å²	110	71.5 Å²	71.5	77%	0.769	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-69.6	-14.9	178	73	0	0	0	0	114.4	F821	F821-S823 VanDerWaalsContact C-N 3.26Å; F821-S823 PolarHBondContact O-N 3.11Å
824	Q	75.1	Confident	77.2	Confident	79 Å²	79	76.3 Å²	76.3	37%	0.369	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-100.6	-12.3	-177.2	-62.7	-177.1	38.2	0	0	113.1	L797 F821 E822	L797-Q824 HydrophobicContact CD1-CB 4.04Å; F821-Q824 PolarHBondContact O-N 3.14Å; E822-Q824 PolarHBondContact O-N 2.92Å
825	I	70.3	Confident	76.8	Confident	27 Å²	27	77.3 Å²	77.3	14%	0.138	44%	0.442	C	S	.	.	S	Bend	trans	-116.3	116.8	-172.9	-58.8	154.5	0	0	0	108.6	L797 F821 E822 D829 F833	L797-I825 HydrophobicContact CD2-CD1 4.39Å; L797-I825 HydrophobicContact CD2-CG1 4.03Å; F821-I825 HydrophobicContact CB-CD1 3.85Å; F821-I825 WeakPolarHBondContact O-CD1 3.43Å; F821-I825 WeakPolarHBondContact O-CG1 3.43Å; F821-I825 PolarHBondContact O-N 3.41Å; E822-I825 PolarHBondContact O-N 3.4Å; I825-D829 HydrophobicContact CG2-CB 4.07Å; I825-F833 HydrophobicContact CD1-CB 4.01Å; I825-F833 HydrophobicContact CD1-CD1 3.84Å; I825-F833 HydrophobicContact CD1-CD2 3.15Å; I825-F833 HydrophobicContact CD1-CE1 3.99Å; I825-F833 HydrophobicContact CD1-CE2 3.3Å; I825-F833 HydrophobicContact CD1-CG 3.41Å; I825-F833 VanDerWaalsContact CD1-CG 3.41Å; I825-F833 HydrophobicContact CD1-CZ 3.73Å; I825-F833 HydrophobicContact CG1-CD2 4.11Å; I825-F833 HydrophobicContact CG1-CE2 4.47Å; I825-F833 HydrophobicContact CG1-CG 4.44Å; I825-F833 HydrophobicContact CG2-CB 4.3Å
826	P	73.5	Confident	76.6	Confident	62 Å²	62	72.9 Å²	72.9	40%	0.403	42%	0.418	S	S	.	.			trans	-58	142.6	171.7	-20.7	31.5	0	0	0	110.8	G828 D829	P826-G828 PolarHBondContact O-N 2.67Å; P826-D829 PolarHBondContact O-N 3.1Å
827	Q	68	Low	76.5	Confident	174 Å²	174	70.8 Å²	70.8	81%	0.813	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-54.8	-22	-179.7	-73.9	-178.4	-3.8	0	0	114.3	T830	Q827-T830 PolarHBondContact O-OG1 3.31Å
828	G	72.5	Confident	76.3	Confident	72 Å²	72	74.5 Å²	74.5	74%	0.742	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-76.5	-17.3	175.3	0	0	0	0	0	115.3	P826	P826-G828 PolarHBondContact O-N 2.67Å
829	D	71.7	Confident	76.2	Confident	37 Å²	37	75.8 Å²	75.8	20%	0.198	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-102.6	9.7	-171.7	-73.1	-14.8	0	0	0	113.3	Y794 I825 P826 A831 V832 F833	Y794-D829 VanDerWaalsContact OH-CG 3.31Å; Y794-D829 PolarHBondContact OH-OD2 3.31Å; I825-D829 HydrophobicContact CG2-CB 4.07Å; P826-D829 PolarHBondContact O-N 3.1Å; D829-A831 PolarHBondContact O-N 2.97Å; D829-A831 VanDerWaalsContact O-N 3.15Å; D829-V832 WeakPolarHBondContact O-CA 3.4Å; D829-V832 WeakPolarHBondContact O-CB 3.41Å; D829-V832 PolarHBondContact O-N 3.08Å; D829-F833 PolarHBondContact O-N 3.18Å
830	T	73.9	Confident	76.1	Confident	86 Å²	86	72.5 Å²	72.5	53%	0.528	40%	0.402	S	S	.	.	H	α-helix	trans	-58.1	-33.8	-175.7	-30.3	0	0	0	0	112.7	Q827 R834	Q827-T830 PolarHBondContact O-OG1 3.31Å; T830-R834 WeakPolarHBondContact O-CB 3.43Å; T830-R834 PolarHBondContact O-N 2.66Å
831	A	72.5	Confident	76.2	Confident	79 Å²	79	67.2 Å²	67.2	65%	0.653	38%	0.382	S	S	*	.	H	α-helix	trans	-67.3	-38	175.4	0	0	0	0	0	112.4	D829 R834 S835	D829-A831 PolarHBondContact O-N 2.97Å; D829-A831 VanDerWaalsContact O-N 3.15Å; A831-R834 PolarHBondContact O-N 2.85Å; A831-S835 PolarHBondContact O-N 3.26Å
832	V	73.2	Confident	76.3	Confident	57 Å²	57	69.9 Å²	69.9	35%	0.345	40%	0.398	S	S	.	.	H	α-helix	trans	-67.4	-45.9	177.4	179.4	0	0	0	0	109.7	Y794 D829 R834 S835 M836	Y794-V832 HydrophobicContact CD2-CG1 4.49Å; Y794-V832 HydrophobicContact CE2-CG1 4.4Å; D829-V832 WeakPolarHBondContact O-CA 3.4Å; D829-V832 WeakPolarHBondContact O-CB 3.41Å; D829-V832 PolarHBondContact O-N 3.08Å; V832-R834 PolarHBondContact O-N 2.68Å; V832-S835 PolarHBondContact O-N 3.29Å; V832-M836 HydrophobicContact CG1-CE 3.35Å; V832-M836 HydrophobicContact CG1-SD 4.14Å; V832-M836 WeakPolarHBondContact O-CG 3.4Å; V832-M836 PolarHBondContact O-N 3.38Å
833	F	78.6	Confident	76.6	Confident	24 Å²	24	67.2 Å²	67.2	11%	0.105	39%	0.385	C	S	.	.	H	α-helix	trans	-60	-44.9	175.4	-177.4	-111.1	0	0	0	112.1	L797 L801 I817 F821 I825 D829 S835 M836 L837	L797-F833 HydrophobicContact CD2-CD2 3.92Å; L797-F833 HydrophobicContact CD2-CE2 4.29Å; L801-F833 HydrophobicContact CD1-CD2 4.11Å; L801-F833 HydrophobicContact CD1-CE2 3.46Å; L801-F833 VanDerWaalsContact CD1-CE2 3.46Å; L801-F833 HydrophobicContact CD1-CZ 4.17Å; L801-F833 HydrophobicContact CD2-CE2 4.22Å; L801-F833 HydrophobicContact CD2-CZ 4.17Å; L801-F833 HydrophobicContact CG-CE2 4.06Å; I817-F833 HydrophobicContact CG2-CE1 3.97Å; I817-F833 HydrophobicContact CG2-CZ 3.68Å; F821-F833 HydrophobicContact CB-CE2 4.11Å; F821-F833 HydrophobicContact CB-CZ 3.92Å; F821-F833 HydrophobicContact CD2-CZ 4.45Å; F821-F833 HydrophobicContact CG-CE2 4.32Å; F821-F833 HydrophobicContact CG-CZ 4.27Å; I825-F833 HydrophobicContact CD1-CB 4.01Å; I825-F833 HydrophobicContact CD1-CD1 3.84Å; I825-F833 HydrophobicContact CD1-CD2 3.15Å; I825-F833 HydrophobicContact CD1-CE1 3.99Å; I825-F833 HydrophobicContact CD1-CE2 3.3Å; I825-F833 HydrophobicContact CD1-CG 3.41Å; I825-F833 VanDerWaalsContact CD1-CG 3.41Å; I825-F833 HydrophobicContact CD1-CZ 3.73Å; I825-F833 HydrophobicContact CG1-CD2 4.11Å; I825-F833 HydrophobicContact CG1-CE2 4.47Å; I825-F833 HydrophobicContact CG1-CG 4.44Å; I825-F833 HydrophobicContact CG2-CB 4.3Å; D829-F833 PolarHBondContact O-N 3.18Å; F833-S835 VanDerWaalsContact C-N 3.3Å; F833-S835 PolarHBondContact O-N 3.14Å; F833-M836 WeakPolarHBondContact O-CB 3.3Å; F833-M836 PolarHBondContact O-N 3.37Å; F833-M836 VanDerWaalsContact O-N 3.15Å; F833-L837 HydrophobicContact CD1-CD1 4.29Å; F833-L837 HydrophobicContact CE1-CD1 3.59Å; F833-L837 HydrophobicContact CE2-CD1 3.99Å; F833-L837 HydrophobicContact CZ-CD1 3.43Å; F833-L837 VanDerWaalsContact CZ-CD1 3.43Å; F833-L837 WeakPolarHBondContact O-CB 3.39Å; F833-L837 PolarHBondContact O-N 2.71Å
834	R	77	Confident	76.9	Confident	172 Å²	172	69.6 Å²	69.6	65%	0.649	38%	0.377	S	S	*	.	H	α-helix	trans	-60.7	-40	176.4	-167.8	177.5	-174.7	130.3	0.2	112	T830 A831 V832 L837 L838	T830-R834 WeakPolarHBondContact O-CB 3.43Å; T830-R834 PolarHBondContact O-N 2.66Å; A831-R834 PolarHBondContact O-N 2.85Å; V832-R834 PolarHBondContact O-N 2.68Å; R834-L837 PolarHBondContact O-N 2.95Å; R834-L838 HydrophobicContact CG-CD1 4.3Å; R834-L838 WeakPolarHBondContact O-CB 3.5Å; R834-L838 WeakPolarHBondContact O-CG 3.37Å; R834-L838 PolarHBondContact O-N 2.99Å
835	S	74.7	Confident	77.2	Confident	64 Å²	64	74.7 Å²	74.7	45%	0.448	39%	0.392	S	S	.	.	H	α-helix	trans	-66.5	-39.8	175.1	-175.7	0	0	0	0	112.1	A831 V832 F833 L838 N839	A831-S835 PolarHBondContact O-N 3.26Å; V832-S835 PolarHBondContact O-N 3.29Å; F833-S835 VanDerWaalsContact C-N 3.3Å; F833-S835 PolarHBondContact O-N 3.14Å; S835-L838 PolarHBondContact O-N 3.39Å; S835-N839 VanDerWaalsContact O-CG 3.29Å; S835-N839 PolarHBondContact O-N 2.97Å; S835-N839 PolarHBondContact O-ND2 3.36Å
836	M	77.2	Confident	77.5	Confident	29 Å²	29	76.3 Å²	76.3	14%	0.143	40%	0.402	C	S	.	.	H	α-helix	trans	-61.7	-49	174.4	-73.9	170.2	-175.5	0	0	110.9	Y794 V798 V832 F833 L838 N839 I840	Y794-M836 HydrophobicContact CD1-CE 4.2Å; Y794-M836 HydrophobicContact CD2-CE 3.78Å; Y794-M836 HydrophobicContact CG-CE 3.48Å; Y794-M836 VanDerWaalsContact CG-CE 3.48Å; Y794-M836 HydrophobicContact CG-SD 4.23Å; V798-M836 HydrophobicContact CG2-CB 4.19Å; V798-M836 HydrophobicContact CG2-CG 3.95Å; V798-M836 HydrophobicContact CG2-SD 3.88Å; V832-M836 HydrophobicContact CG1-CE 3.35Å; V832-M836 HydrophobicContact CG1-SD 4.14Å; V832-M836 WeakPolarHBondContact O-CG 3.4Å; V832-M836 PolarHBondContact O-N 3.38Å; F833-M836 WeakPolarHBondContact O-CB 3.3Å; F833-M836 PolarHBondContact O-N 3.37Å; F833-M836 VanDerWaalsContact O-N 3.15Å; M836-L838 VanDerWaalsContact C-N 3.32Å; M836-L838 PolarHBondContact O-N 3.1Å; M836-N839 WeakPolarHBondContact O-CB 3.34Å; M836-N839 PolarHBondContact O-N 2.88Å; M836-I840 WeakPolarHBondContact O-CG1 3.46Å; M836-I840 PolarHBondContact O-N 3.36Å
837	L	80.8	Confident	77.7	Confident	5 Å²	5	79.7 Å²	79.7	3%	0.026	43%	0.427	C	S	.	.	H	α-helix	trans	-58.8	-43.5	178.8	-134.3	105.3	0	0	0	111.5	L801 I817 F833 R834 N839 I840 C841 W853	L801-L837 HydrophobicContact CD1-CD1 3.95Å; L801-L837 HydrophobicContact CD2-CD1 3.55Å; L801-L837 HydrophobicContact CG-CD1 4.42Å; I817-L837 HydrophobicContact CD1-CD1 4.46Å; I817-L837 HydrophobicContact CD1-CD2 3.99Å; I817-L837 HydrophobicContact CG2-CD1 3.76Å; F833-L837 HydrophobicContact CD1-CD1 4.29Å; F833-L837 HydrophobicContact CE1-CD1 3.59Å; F833-L837 HydrophobicContact CE2-CD1 3.99Å; F833-L837 HydrophobicContact CZ-CD1 3.43Å; F833-L837 VanDerWaalsContact CZ-CD1 3.43Å; F833-L837 WeakPolarHBondContact O-CB 3.39Å; F833-L837 PolarHBondContact O-N 2.71Å; R834-L837 PolarHBondContact O-N 2.95Å; L837-N839 VanDerWaalsContact C-N 3.27Å; L837-N839 PolarHBondContact O-N 3.26Å; L837-I840 PolarHBondContact O-N 3.5Å; L837-C841 WeakPolarHBondContact O-CA 3.17Å; L837-C841 VanDerWaalsContact O-CB 3.24Å; L837-C841 WeakPolarHBondContact O-CB 3.4Å; L837-C841 PolarHBondContact O-N 2.97Å; L837-W853 HydrophobicContact CB-CZ3 4.39Å; L837-W853 HydrophobicContact CD2-CB 4.44Å; L837-W853 HydrophobicContact CD2-CD2 3.21Å; L837-W853 HydrophobicContact CD2-CE3 3.44Å; L837-W853 VanDerWaalsContact CD2-CE3 3.44Å; L837-W853 HydrophobicContact CD2-CG 3.7Å; L837-W853 HydrophobicContact CD2-CH2 3.74Å; L837-W853 HydrophobicContact CD2-CZ2 3.59Å; L837-W853 HydrophobicContact CD2-CZ3 3.67Å; L837-W853 HydrophobicContact CG-CE3 4.44Å
838	L	81.4	Confident	78	Confident	81 Å²	81	76.2 Å²	76.2	42%	0.424	42%	0.417	S	S	.	.	H	α-helix	trans	-68.1	-22.9	175.9	-76.1	166.7	0	0	0	113.7	R834 S835 M836 W853 K856	R834-L838 HydrophobicContact CG-CD1 4.3Å; R834-L838 WeakPolarHBondContact O-CB 3.5Å; R834-L838 WeakPolarHBondContact O-CG 3.37Å; R834-L838 PolarHBondContact O-N 2.99Å; S835-L838 PolarHBondContact O-N 3.39Å; M836-L838 VanDerWaalsContact C-N 3.32Å; M836-L838 PolarHBondContact O-N 3.1Å; L838-W853 HydrophobicContact CD2-CH2 4.05Å; L838-W853 HydrophobicContact CD2-CZ3 3.76Å; L838-W853 HydrophobicContact CG-CH2 4.21Å; L838-W853 HydrophobicContact CG-CZ3 4.11Å; L838-K856 WeakPolarHBondContact O-CE 3.45Å; L838-K856 PolarHBondContact O-NZ 3.04Å
839	N	79.2	Confident	78.1	Confident	104 Å²	104	75 Å²	75	56%	0.556	41%	0.405	S	S	*	.	H	α-helix	trans	-72.8	-44.5	175.1	-78.7	-18.6	0	0	0	111	S835 M836 L837 K856	S835-N839 VanDerWaalsContact O-CG 3.29Å; S835-N839 PolarHBondContact O-N 2.97Å; S835-N839 PolarHBondContact O-ND2 3.36Å; M836-N839 WeakPolarHBondContact O-CB 3.34Å; M836-N839 PolarHBondContact O-N 2.88Å; L837-N839 VanDerWaalsContact C-N 3.27Å; L837-N839 PolarHBondContact O-N 3.26Å; N839-K856 WeakPolarHBondContact O-CD 3.34Å; N839-K856 WeakPolarHBondContact O-CE 3.5Å; N839-K856 PolarHBondContact O-NZ 2.84Å
840	I	79.4	Confident	78.4	Confident	10 Å²	10	77.8 Å²	77.8	5%	0.051	42%	0.42	C	S	.	.	H	α-helix	trans	-90.7	-26.7	-177	56.9	166.6	0	0	0	114	V798 L801 L805 M836 L837 L855 K856	V798-I840 HydrophobicContact CG1-CG2 4.03Å; L801-I840 HydrophobicContact CB-CD1 3.83Å; L801-I840 HydrophobicContact CD1-CD1 4.29Å; L805-I840 HydrophobicContact CD1-CD1 4.19Å; M836-I840 WeakPolarHBondContact O-CG1 3.46Å; M836-I840 PolarHBondContact O-N 3.36Å; L837-I840 PolarHBondContact O-N 3.5Å; I840-L855 HydrophobicContact CB-CD1 4.41Å; I840-K856 WeakPolarHBondContact O-CB 3.45Å; I840-K856 WeakPolarHBondContact O-CG 3.37Å; I840-K856 PolarHBondContact O-N 3.36Å
841	C	84	Confident	78.8	Confident	1 Å²	1	74.5 Å²	74.5	1%	0.007	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	159.7	-174.5	-64.1	0	0	0	0	113.3	L805 L837 W853 L854 K856	L805-C841 WeakPolarHBondContact CD1-SG 3.45Å; L837-C841 WeakPolarHBondContact O-CA 3.17Å; L837-C841 VanDerWaalsContact O-CB 3.24Å; L837-C841 WeakPolarHBondContact O-CB 3.4Å; L837-C841 PolarHBondContact O-N 2.97Å; C841-W853 HydrophobicContact CB-CB 4.16Å; C841-W853 HydrophobicContact CB-CE3 3.84Å; C841-L854 CarbonylContact C-O 3.51Å; C841-L854 WeakPolarHBondContact CA-O 3.44Å; C841-L854 WeakPolarHBondContact CB-O 3.37Å; C841-K856 VanDerWaalsContact O-CE 3.24Å; C841-K856 WeakPolarHBondContact O-CE 3.35Å
842	T	84.5	Confident	79.4	Confident	58 Å²	58	73 Å²	73	36%	0.356	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132	166.9	43.3	0	0	0	0	109.5	L854 K856	T842-L854 PolarHBondContact N-O 2.84Å; T842-L854 PolarHBondContact O-N 2.93Å; T842-L854 PolarHBondContact OG1-O 3.31Å; T842-K856 HydrophobicContact CG2-CD 4.42Å; T842-K856 HydrophobicContact CG2-CG 3.96Å
843	F	85	Confident	80.1	Confident	80 Å²	80	71.2 Å²	71.2	35%	0.351	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	132.1	178	-177.3	-109.2	0	0	0	110.4	R845 G851 W853	F843-R845 HydrophobicContact CE1-CG 3.8Å; F843-R845 HydrophobicContact CZ-CG 4.06Å; F843-G851 VanDerWaalsContact CE2-CA 3.49Å; F843-W853 HydrophobicContact CB-CD2 4.14Å; F843-W853 HydrophobicContact CB-CE3 3.75Å; F843-W853 HydrophobicContact CB-CH2 4.03Å; F843-W853 HydrophobicContact CB-CZ2 4.33Å; F843-W853 HydrophobicContact CB-CZ3 3.73Å; F843-W853 AromaticContact CD2-CD2 3.68Å; F843-W853 HydrophobicContact CD2-CD2 3.68Å; F843-W853 AromaticContact CD2-CE2 3.38Å; F843-W853 HydrophobicContact CD2-CE3 4.18Å; F843-W853 HydrophobicContact CD2-CG 4.16Å; F843-W853 HydrophobicContact CD2-CH2 4.28Å; F843-W853 AromaticContact CD2-CZ2 3.71Å; F843-W853 HydrophobicContact CD2-CZ2 3.71Å; F843-W853 HydrophobicContact CD2-CZ3 4.49Å; F843-W853 AromaticContact CD2-NE1 3.58Å; F843-W853 HydrophobicContact CE2-CZ2 4.33Å; F843-W853 AromaticContact CE2-NE1 3.82Å; F843-W853 HydrophobicContact CG-CD2 4.38Å; F843-W853 HydrophobicContact CG-CE3 4.45Å; F843-W853 HydrophobicContact CG-CH2 4.39Å; F843-W853 HydrophobicContact CG-CZ2 4.25Å; F843-W853 HydrophobicContact CG-CZ3 4.49Å
844	R	82.6	Confident	80.4	Confident	160 Å²	160	72.4 Å²	72.4	60%	0.604	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	158.7	170.5	-67.6	-153.2	-176.1	-94.4	3.8	110.5	G851 F852 L854	R844-G851 CarbonylContact O-C 3.57Å; R844-G851 WeakPolarHBondContact O-CA 2.8Å; R844-F852 HydrophobicContact CB-CD2 4.44Å; R844-F852 HydrophobicContact CB-CE1 4.08Å; R844-F852 HydrophobicContact CB-CE2 3.93Å; R844-F852 HydrophobicContact CB-CZ 3.71Å; R844-F852 PolarHBondContact N-O 3.18Å; R844-F852 PolarHBondContact O-N 3.09Å; R844-F852 VanDerWaalsContact O-O 3.12Å; R844-L854 HydrophobicContact CB-CD1 4.34Å; R844-L854 HydrophobicContact CG-CD1 4.01Å
845	R	81.9	Confident	80.7	Confident	186 Å²	186	66.2 Å²	66.2	70%	0.702	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.3	174.1	-67.4	-176.5	176.9	-176	-2.4	108.5	F843 N850	F843-R845 HydrophobicContact CE1-CG 3.8Å; F843-R845 HydrophobicContact CZ-CG 4.06Å; R845-N850 WeakPolarHBondContact CA-O 3.35Å
846	D	76.2	Confident	81.1	Confident	62 Å²	62	66.4 Å²	66.4	33%	0.332	35%	0.348	S	S	.	.			trans	-79.5	178.5	173.9	67.6	20.2	0	0	0	111.2	T848 G849 N850 F852	D846-T848 PolarHBondContact O-N 3.5Å; D846-T848 VanDerWaalsContact OD1-C 3.31Å; D846-T848 VanDerWaalsContact OD1-CA 3.28Å; D846-T848 WeakPolarHBondContact OD1-CA 3.47Å; D846-T848 WeakPolarHBondContact OD1-CB 3.42Å; D846-T848 PolarHBondContact OD1-N 2.91Å; D846-T848 PolarHBondContact OD1-OG1 2.72Å; D846-T848 PolarHBondContact OD2-OG1 3.43Å; D846-T848 VanDerWaalsContact OD2-OG1 3.08Å; D846-G849 PolarHBondContact O-N 2.82Å; D846-G849 VanDerWaalsContact O-N 3.14Å; D846-G849 PolarHBondContact OD1-N 3.34Å; D846-N850 PolarHBondContact N-O 3.07Å; D846-N850 PolarHBondContact OD1-N 3.39Å; D846-N850 WeakPolarHBondContact OD2-CB 3.37Å; D846-F852 HydrophobicContact CB-CD1 4.35Å; D846-F852 HydrophobicContact CB-CE1 3.86Å
847	S	77.3	Confident	80.4	Confident	133 Å²	133	69.7 Å²	69.7	93%	0.93	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.4	176.8	48.9	0	0	0	0	113.7
848	T	74.4	Confident	79	Confident	100 Å²	100	77.9 Å²	77.9	61%	0.613	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-5	176.5	69.7	0	0	0	0	112.9	D846 N850	D846-T848 PolarHBondContact O-N 3.5Å; D846-T848 VanDerWaalsContact OD1-C 3.31Å; D846-T848 VanDerWaalsContact OD1-CA 3.28Å; D846-T848 WeakPolarHBondContact OD1-CA 3.47Å; D846-T848 WeakPolarHBondContact OD1-CB 3.42Å; D846-T848 PolarHBondContact OD1-N 2.91Å; D846-T848 PolarHBondContact OD1-OG1 2.72Å; D846-T848 PolarHBondContact OD2-OG1 3.43Å; D846-T848 VanDerWaalsContact OD2-OG1 3.08Å; T848-N850 PolarHBondContact OG1-ND2 3.37Å
849	G	74.9	Confident	77.2	Confident	46 Å²	46	76.6 Å²	76.6	47%	0.474	41%	0.405	S	S	.	.	S	Bend	trans	90.7	-2.7	-178.9	0	0	0	0	0	114.4	D846	D846-G849 PolarHBondContact O-N 2.82Å; D846-G849 VanDerWaalsContact O-N 3.14Å; D846-G849 PolarHBondContact OD1-N 3.34Å
850	N	77.8	Confident	75.3	Confident	97 Å²	97	75.5 Å²	75.5	52%	0.519	41%	0.405	S	S	.	.			trans	-76.4	133.7	-179.2	-69.2	-34.7	0	0	0	111	R845 D846 T848	R845-N850 WeakPolarHBondContact CA-O 3.35Å; D846-N850 PolarHBondContact N-O 3.07Å; D846-N850 PolarHBondContact OD1-N 3.39Å; D846-N850 WeakPolarHBondContact OD2-CB 3.37Å; T848-N850 PolarHBondContact OG1-ND2 3.37Å
851	G	82.1	Confident	73.2	Confident	16 Å²	16	82.6 Å²	82.6	17%	0.165	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	120.3	-174.5	0	0	0	0	0	113	T814 F843 R844	T814-G851 PolarHBondContact N-O 3.11Å; T814-G851 VanDerWaalsContact N-O 3.11Å; T814-G851 PolarHBondContact OG1-O 2.99Å; F843-G851 VanDerWaalsContact CE2-CA 3.49Å; R844-G851 CarbonylContact O-C 3.57Å; R844-G851 WeakPolarHBondContact O-CA 2.8Å
852	F	85.9	Confident	70.8	Confident	47 Å²	47	93.2 Å²	93.2	21%	0.206	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	149.4	177.1	61	-82.6	0	0	0	111.9	R844 D846 L854	R844-F852 HydrophobicContact CB-CD2 4.44Å; R844-F852 HydrophobicContact CB-CE1 4.08Å; R844-F852 HydrophobicContact CB-CE2 3.93Å; R844-F852 HydrophobicContact CB-CZ 3.71Å; R844-F852 PolarHBondContact N-O 3.18Å; R844-F852 PolarHBondContact O-N 3.09Å; R844-F852 VanDerWaalsContact O-O 3.12Å; D846-F852 HydrophobicContact CB-CD1 4.35Å; D846-F852 HydrophobicContact CB-CE1 3.86Å; F852-L854 HydrophobicContact CD2-CD1 4.03Å; F852-L854 HydrophobicContact CD2-CG 4.05Å; F852-L854 HydrophobicContact CE2-CD1 3.6Å; F852-L854 HydrophobicContact CE2-CG 4.06Å
853	W	87.6	Confident	70.1	Confident	21 Å²	21	95 Å²	95	8%	0.08	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	120.6	-176.5	-65.6	89.9	0	0	0	109.7	E811 A812 T814 I817 L837 L838 C841 F843	E811-W853 VanDerWaalsContact CA-O 3.28Å; E811-W853 WeakPolarHBondContact CA-O 3.29Å; A812-W853 PolarHBondContact N-O 2.67Å; A812-W853 PolarHBondContact O-N 2.88Å; T814-W853 PolarHBondContact OG1-NE1 3.18Å; I817-W853 HydrophobicContact CD1-CB 3.89Å; I817-W853 HydrophobicContact CD1-CG 3.86Å; L837-W853 HydrophobicContact CB-CZ3 4.39Å; L837-W853 HydrophobicContact CD2-CB 4.44Å; L837-W853 HydrophobicContact CD2-CD2 3.21Å; L837-W853 HydrophobicContact CD2-CE3 3.44Å; L837-W853 VanDerWaalsContact CD2-CE3 3.44Å; L837-W853 HydrophobicContact CD2-CG 3.7Å; L837-W853 HydrophobicContact CD2-CH2 3.74Å; L837-W853 HydrophobicContact CD2-CZ2 3.59Å; L837-W853 HydrophobicContact CD2-CZ3 3.67Å; L837-W853 HydrophobicContact CG-CE3 4.44Å; L838-W853 HydrophobicContact CD2-CH2 4.05Å; L838-W853 HydrophobicContact CD2-CZ3 3.76Å; L838-W853 HydrophobicContact CG-CH2 4.21Å; L838-W853 HydrophobicContact CG-CZ3 4.11Å; C841-W853 HydrophobicContact CB-CB 4.16Å; C841-W853 HydrophobicContact CB-CE3 3.84Å; F843-W853 HydrophobicContact CB-CD2 4.14Å; F843-W853 HydrophobicContact CB-CE3 3.75Å; F843-W853 HydrophobicContact CB-CH2 4.03Å; F843-W853 HydrophobicContact CB-CZ2 4.33Å; F843-W853 HydrophobicContact CB-CZ3 3.73Å; F843-W853 AromaticContact CD2-CD2 3.68Å; F843-W853 HydrophobicContact CD2-CD2 3.68Å; F843-W853 AromaticContact CD2-CE2 3.38Å; F843-W853 HydrophobicContact CD2-CE3 4.18Å; F843-W853 HydrophobicContact CD2-CG 4.16Å; F843-W853 HydrophobicContact CD2-CH2 4.28Å; F843-W853 AromaticContact CD2-CZ2 3.71Å; F843-W853 HydrophobicContact CD2-CZ2 3.71Å; F843-W853 HydrophobicContact CD2-CZ3 4.49Å; F843-W853 AromaticContact CD2-NE1 3.58Å; F843-W853 HydrophobicContact CE2-CZ2 4.33Å; F843-W853 AromaticContact CE2-NE1 3.82Å; F843-W853 HydrophobicContact CG-CD2 4.38Å; F843-W853 HydrophobicContact CG-CE3 4.45Å; F843-W853 HydrophobicContact CG-CH2 4.39Å; F843-W853 HydrophobicContact CG-CZ2 4.25Å; F843-W853 HydrophobicContact CG-CZ3 4.49Å
854	L	84.6	Confident	69.3	Low	49 Å²	49	95.8 Å²	95.8	26%	0.257	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.8	179.9	-76.5	146.8	0	0	0	110.3	E811 C841 T842 R844 F852	E811-L854 HydrophobicContact CB-CD2 4.11Å; E811-L854 HydrophobicContact CB-CG 4.5Å; C841-L854 CarbonylContact C-O 3.51Å; C841-L854 WeakPolarHBondContact CA-O 3.44Å; C841-L854 WeakPolarHBondContact CB-O 3.37Å; T842-L854 PolarHBondContact N-O 2.84Å; T842-L854 PolarHBondContact O-N 2.93Å; T842-L854 PolarHBondContact OG1-O 3.31Å; R844-L854 HydrophobicContact CB-CD1 4.34Å; R844-L854 HydrophobicContact CG-CD1 4.01Å; F852-L854 HydrophobicContact CD2-CD1 4.03Å; F852-L854 HydrophobicContact CD2-CG 4.05Å; F852-L854 HydrophobicContact CE2-CD1 3.6Å; F852-L854 HydrophobicContact CE2-CG 4.06Å
855	L	84	Confident	68.6	Low	41 Å²	41	92.2 Å²	92.2	22%	0.215	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	133.2	175.2	-168.2	69.8	0	0	0	110.7	R802 L805 E806 G810 I840 S857	R802-L855 HydrophobicContact CG-CD1 4.05Å; L805-L855 HydrophobicContact CD1-CD1 4.09Å; E806-L855 HydrophobicContact CG-CD2 3.91Å; G810-L855 PolarHBondContact O-N 3.45Å; I840-L855 HydrophobicContact CB-CD1 4.41Å; L855-S857 PolarHBondContact O-N 3.49Å
856	K	81.6	Confident	67.8	Low	69 Å²	69	86.7 Å²	86.7	30%	0.3	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-71.1	123.6	179.9	-70.5	177.5	-170.4	168.8	0	110.6	L838 N839 I840 C841 T842 H858	L838-K856 WeakPolarHBondContact O-CE 3.45Å; L838-K856 PolarHBondContact O-NZ 3.04Å; N839-K856 WeakPolarHBondContact O-CD 3.34Å; N839-K856 WeakPolarHBondContact O-CE 3.5Å; N839-K856 PolarHBondContact O-NZ 2.84Å; I840-K856 WeakPolarHBondContact O-CB 3.45Å; I840-K856 WeakPolarHBondContact O-CG 3.37Å; I840-K856 PolarHBondContact O-N 3.36Å; C841-K856 VanDerWaalsContact O-CE 3.24Å; C841-K856 WeakPolarHBondContact O-CE 3.35Å; T842-K856 HydrophobicContact CG2-CD 4.42Å; T842-K856 HydrophobicContact CG2-CG 3.96Å; K856-H858 PolarHBondContact O-N 3.23Å; K856-H858 VanDerWaalsContact O-N 3.13Å
857	S	63.1	Low	67.3	Low	97 Å²	97	88.3 Å²	88.3	68%	0.678	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-59	-23.5	-178.9	54.3	0	0	0	0	115.3	L855 L859	L855-S857 PolarHBondContact O-N 3.49Å; S857-L859 PolarHBondContact O-N 3.47Å
858	H	51.6	Low	66.6	Low	178 Å²	178	85.3 Å²	85.3	82%	0.824	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-76.6	11.3	-175.7	-81.7	-67.8	0	0	0	115.6	K856	K856-H858 PolarHBondContact O-N 3.23Å; K856-H858 VanDerWaalsContact O-N 3.13Å
859	L	44.5	Very low	66	Low	54 Å²	54	84.2 Å²	84.2	28%	0.283	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-129.8	-6.6	-164.7	-96	172.1	0	0	0	113.4	R802 S857	R802-L859 VanDerWaalsContact NH2-CD2 3.34Å; R802-L859 PolarHBondContact NH2-O 3.36Å; S857-L859 PolarHBondContact O-N 3.47Å
860	S	38.3	Very low	65.4	Low	80 Å²	80	87.2 Å²	87.2	56%	0.559	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-20.4	174.7	55.8	0	0	0	0	114.1
861	D	36.3	Very low	64.3	Low	160 Å²	160	86.3 Å²	86.3	86%	0.856	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	17.8	-178.4	-74.1	-9.1	0	0	0	114
862	K	32.2	Very low	62.7	Low	224 Å²	224	92.7 Å²	92.7	97%	0.974	48%	0.476	S	S	*	.			trans	-122.2	0	169.2	-79.2	-169.4	177.6	-172.5	0	109.4

Retrieved 862 of 862 residues in 1763.5 ms (Link to these results)

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