A0A3Q0KMJ2_SCHMA Loading...

Tyrosine kinase

AlphaFold DB , UniProt , Accession A0A3Q0KMJ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,309 aa.

						>A0A3Q0KMJ2_SCHMA|A0A3Q0KMJ2
MWSTFFMFTMFVYLRSFSCAETPKPKHKLISAPIGDRVVLSCGIGNSKYRVYEWLDNEKPMEFAIHNVTMHSNGSIDFRIRMENADRIFSCLSYNSYPNGTQDSLLIFVYNFVPIVKAFLAETVHNTTVDWGSIYRFPCIFGGTDPRDDTMILNNQIVVEMEHNITEDSIVECKVQNSLGMVHDLAYITVRPDSKAWGLKHGISDRNSYCQSYSTILPKSSACYPFIKNIANEYKEPYLISQSRLYSNEISNQAVKNLFTSWDDLLSSSMYLSQSNNYLSDSFKSSNTSFIKSNHVVDTISLSNSSTAAWRCINLAKHLTCATSYPRCEITNADRKSTSLFTNSYIEYPVCLKHCLAVTGLFCFSSLKILNNSALDSLLDIPQNESLMNFDFVKTGWSELINVPEAKSQSLPLSFSDPLGNGKSNPFHICSSIKSDIRSSEQSKKSICTRLPIDNEIPTNFIEESKKTPDEKNVDCINGKGENYRGLATMPECKPWTNVLVLDDNIQNLQPGIWPGFYSLNSFTFPRSLGLEASSSAVCRNPSGLASRPFCLSRKENRETFPDISIKSKPNHLEKWYLTSCYQIPQCSETSNNSDYHHNWTLGGESVRGLEITESQLQTIIACSVVGLILCLLIIGCIIWLINRCSRKNIENSDIHFSQLDFDKPQITDVNSVNKESDDNRQFSEHLYDSTEINKEKYLERRRKLLTRRRRLRQLNPCLQCIFGTYYRIVDFTHSSHTTNQSHSVFAVTQYTDDKSMSSIPNQNVVTDVCRSRYLSSLCPCFYLSNFRKKSKHDSLKMIKSVYSCSVTKNELIDEEFEANTLGMRMDKSIVYVTNVPTIISPPKTIDSLPNICVSCGVASNLLSDTCSSCRYTQNKQTGVSSAVTTNHPVSGDSCSNNHVLIDDHEVDSEFSPTTLGLIESSYYSLSSGSAELGSAILPEKLFNVASMNHLLHPKFKSLCYPRNRLVEIRCLAKRAFGWIILVHAPNLNKLVHRRRLLSLTTSERLGLVSSSSQEKENTIDVQSSSDESSDCIAVLKMIQGGANLKAEANFLREAEILVELQHRNIIQLLGVCIPLEPLSLLIEYMPFGDFYSFLRRYDSESPGYNCFVGTANGEIVNAYSQTLSQTTTVSKKDFTDQCPTKLNVKMLAEMVIDACEAMVYLSEMHYVHRDVATRSFLVGKKLIIKLSDFSMCRPIQSGVDFISTSNECLPIKWLPLESILDGKFHIDTDVWSFGVLLWEVFSYAVEPFTDLSHTEIIKLLEQGDRLTRPSQCPESVYQLMLKCWSADRTERPKFIYIRNCLKEIFKDL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.7	Very low	45.4	Very low	200 Å²	200	138.6 Å²	138.6	99%	0.985	66%	0.663	S	S	*	*				0	-39	0	-74	-161.7	108.6	0	0	113.4	T4 F5	M1-T4 PolarHBondContact O-OG1 3.37Å; M1-F5 PolarHBondContact O-N 2.85Å
2	W	39.1	Very low	45.4	Very low	232 Å²	232	134.5 Å²	134.5	88%	0.879	65%	0.652	S	S	*	*	H	α-helix	trans	-68.6	-32.3	177.2	-81	72.1	0	0	0	114.3	F6	W2-F6 PolarHBondContact O-N 3.42Å
3	S	39.3	Very low	44.7	Very low	90 Å²	90	136.6 Å²	136.6	63%	0.629	65%	0.651	S	S	*	*	H	α-helix	trans	-68.4	-36	176.7	57	0	0	0	0	113.6	M7	S3-M7 PolarHBondContact O-N 3.15Å
4	T	46	Very low	44	Very low	93 Å²	93	135.9 Å²	135.9	57%	0.571	65%	0.652	S	S	*	*	H	α-helix	trans	-72.6	-31.7	179	39.8	0	0	0	0	112.5	M1 F8	M1-T4 PolarHBondContact O-OG1 3.37Å; T4-F8 PolarHBondContact O-N 3.41Å
5	F	51.6	Low	43.2	Very low	155 Å²	155	140.9 Å²	140.9	68%	0.68	66%	0.662	S	S	*	*	H	α-helix	trans	-71.8	-39.1	178	-153.2	-93.9	0	0	0	111.6	M1 M7 F8 T9	M1-F5 PolarHBondContact O-N 2.85Å; F5-M7 PolarHBondContact O-N 3.09Å; F5-F8 PolarHBondContact O-N 3.48Å; F5-T9 HydrophobicContact CD1-CG2 4.21Å; F5-T9 HydrophobicContact CE1-CG2 4.06Å; F5-T9 PolarHBondContact O-N 3.09Å; F5-T9 VanDerWaalsContact O-N 3.09Å; F5-T9 PolarHBondContact O-OG1 2.95Å
6	F	49	Very low	42.6	Very low	144 Å²	144	137.2 Å²	137.2	63%	0.632	66%	0.656	S	S	*	*	H	α-helix	trans	-66.6	-38.1	-179.6	-130.3	-88.7	0	0	0	113	W2 T9 M10	W2-F6 PolarHBondContact O-N 3.42Å; F6-T9 WeakPolarHBondContact CA-OG1 3.47Å; F6-T9 PolarHBondContact O-OG1 3.42Å; F6-M10 PolarHBondContact O-N 3Å
7	M	48.5	Very low	41.9	Very low	134 Å²	134	138.4 Å²	138.4	66%	0.66	66%	0.658	S	S	*	*	H	α-helix	trans	-65.2	-38.3	175.4	-80.8	-68.5	-163.9	0	0	112.2	S3 F5 M10 F11	S3-M7 PolarHBondContact O-N 3.15Å; F5-M7 PolarHBondContact O-N 3.09Å; M7-M10 PolarHBondContact O-N 3.44Å; M7-F11 PolarHBondContact O-N 3.28Å
8	F	47.8	Very low	41.2	Very low	161 Å²	161	136.1 Å²	136.1	71%	0.706	66%	0.659	S	S	*	*	H	α-helix	trans	-70.6	-39.9	179.6	-134.8	-88.8	0	0	0	111.8	T4 F5 F11 V12	T4-F8 PolarHBondContact O-N 3.41Å; F5-F8 PolarHBondContact O-N 3.48Å; F8-F11 PolarHBondContact O-N 3.41Å; F8-V12 HydrophobicContact CD1-CG2 4.38Å; F8-V12 WeakPolarHBondContact O-CG2 3.38Å; F8-V12 PolarHBondContact O-N 3.04Å; F8-V12 VanDerWaalsContact O-N 3.09Å
9	T	49.8	Very low	40.6	Very low	60 Å²	60	134.3 Å²	134.3	37%	0.368	66%	0.66	S	S	.	*	H	α-helix	trans	-67	-37.6	175.5	46.9	0	0	0	0	112.3	F5 F6 V12 Y13	F5-T9 HydrophobicContact CD1-CG2 4.21Å; F5-T9 HydrophobicContact CE1-CG2 4.06Å; F5-T9 PolarHBondContact O-N 3.09Å; F5-T9 VanDerWaalsContact O-N 3.09Å; F5-T9 PolarHBondContact O-OG1 2.95Å; F6-T9 WeakPolarHBondContact CA-OG1 3.47Å; F6-T9 PolarHBondContact O-OG1 3.42Å; T9-V12 PolarHBondContact O-N 3.38Å; T9-Y13 WeakPolarHBondContact O-CB 3.39Å; T9-Y13 PolarHBondContact O-N 3.05Å
10	M	46.1	Very low	40.3	Very low	103 Å²	103	132.3 Å²	132.3	51%	0.507	67%	0.667	S	S	.	*	H	α-helix	trans	-66.3	-38.9	175.2	-104.9	-67.6	170.9	0	0	112.3	F6 M7 V12 Y13 L14	F6-M10 PolarHBondContact O-N 3Å; M7-M10 PolarHBondContact O-N 3.44Å; M10-V12 VanDerWaalsContact C-N 3.32Å; M10-V12 PolarHBondContact O-N 3.49Å; M10-Y13 PolarHBondContact O-N 2.9Å; M10-L14 WeakPolarHBondContact O-CB 3.34Å; M10-L14 WeakPolarHBondContact O-CG 3.42Å; M10-L14 PolarHBondContact O-N 3.36Å; M10-L14 HydrophobicContact SD-CD1 3.9Å; M10-L14 HydrophobicContact SD-CG 4.07Å
11	F	39.7	Very low	40.1	Very low	153 Å²	153	134.4 Å²	134.4	67%	0.671	67%	0.674	S	S	*	*	H	α-helix	trans	-65.9	-33.9	176.1	-108	-84.8	0	0	0	113.2	M7 F8	M7-F11 PolarHBondContact O-N 3.28Å; F8-F11 PolarHBondContact O-N 3.41Å
12	V	45.9	Very low	40.2	Very low	89 Å²	89	130.6 Å²	130.6	54%	0.539	66%	0.662	S	S	.	*	H	α-helix	trans	-76.8	-40.6	176.1	177.4	0	0	0	0	111.1	F8 T9 M10 R15 S16	F8-V12 HydrophobicContact CD1-CG2 4.38Å; F8-V12 WeakPolarHBondContact O-CG2 3.38Å; F8-V12 PolarHBondContact O-N 3.04Å; F8-V12 VanDerWaalsContact O-N 3.09Å; T9-V12 PolarHBondContact O-N 3.38Å; M10-V12 VanDerWaalsContact C-N 3.32Å; M10-V12 PolarHBondContact O-N 3.49Å; V12-R15 PolarHBondContact O-N 3.37Å; V12-S16 PolarHBondContact O-N 3.34Å
13	Y	36.3	Very low	40.9	Very low	162 Å²	162	122.5 Å²	122.5	64%	0.635	64%	0.64	S	S	*	*	H	α-helix	trans	-70	-33.7	-179.8	-123.4	-90.5	0	0	0	113.2	T9 M10 R15 S16	T9-Y13 WeakPolarHBondContact O-CB 3.39Å; T9-Y13 PolarHBondContact O-N 3.05Å; M10-Y13 PolarHBondContact O-N 2.9Å; Y13-R15 VanDerWaalsContact C-N 3.27Å; Y13-R15 PolarHBondContact O-N 3.35Å; Y13-S16 PolarHBondContact O-N 3.49Å; Y13-S16 PolarHBondContact O-OG 3.26Å
14	L	34.1	Very low	41.8	Very low	127 Å²	127	127 Å²	127	67%	0.665	65%	0.648	S	S	*	*	H	α-helix	trans	-72.4	-19.5	174.4	-74.6	166.5	0	0	0	112.8	M10	M10-L14 WeakPolarHBondContact O-CB 3.34Å; M10-L14 WeakPolarHBondContact O-CG 3.42Å; M10-L14 PolarHBondContact O-N 3.36Å; M10-L14 HydrophobicContact SD-CD1 3.9Å; M10-L14 HydrophobicContact SD-CG 4.07Å
15	R	31.7	Very low	42.7	Very low	211 Å²	211	125 Å²	125	80%	0.796	64%	0.637	S	S	*	*	H	α-helix	trans	-79.4	-22.8	171.4	-96.4	-172.7	173.3	-176	-0.9	113.9	V12 Y13 F17	V12-R15 PolarHBondContact O-N 3.37Å; Y13-R15 VanDerWaalsContact C-N 3.27Å; Y13-R15 PolarHBondContact O-N 3.35Å; R15-F17 VanDerWaalsContact C-N 3.31Å
16	S	34.1	Very low	43.7	Very low	81 Å²	81	123.8 Å²	123.8	57%	0.566	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-10.4	177.1	39.2	0	0	0	0	114.5	V12 Y13	V12-S16 PolarHBondContact O-N 3.34Å; Y13-S16 PolarHBondContact O-N 3.49Å; Y13-S16 PolarHBondContact O-OG 3.26Å
17	F	30.4	Very low	45.1	Very low	157 Å²	157	123 Å²	123	69%	0.689	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	36.9	173.8	-80.6	-80.4	0	0	0	112.4	R15 C19	R15-F17 VanDerWaalsContact C-N 3.31Å; F17-C19 PolarHBondContact O-N 3.47Å
18	S	28.9	Very low	46.8	Very low	97 Å²	97	122.6 Å²	122.6	68%	0.678	62%	0.624	S	S	*	*			trans	-67.8	87	149.9	68.4	0	0	0	0	106.2	A20	S18-A20 PolarHBondContact O-N 3.11Å
19	C	30.4	Very low	48.4	Very low	102 Å²	102	120.3 Å²	120.3	69%	0.689	62%	0.618	S	S	*	*			trans	-38.1	121.1	157.3	-75	0	0	0	0	105.8	F17 E21	F17-C19 PolarHBondContact O-N 3.47Å; C19-E21 PolarHBondContact O-N 3.43Å
20	A	35.3	Very low	49.9	Very low	95 Å²	95	118.6 Å²	118.6	79%	0.785	61%	0.607	S	S	*	*			trans	-51.2	100.8	171.3	0	0	0	0	0	105.6	S18 T22	S18-A20 PolarHBondContact O-N 3.11Å; A20-T22 VanDerWaalsContact C-N 3.32Å; A20-T22 PolarHBondContact O-N 2.84Å
21	E	35.5	Very low	51.5	Low	177 Å²	177	117 Å²	117	83%	0.827	61%	0.605	S	S	*	*			trans	-61.6	106.9	179.4	-81.3	-172.6	151	0	0	103.9	C19 P23	C19-E21 PolarHBondContact O-N 3.43Å; E21-P23 WeakPolarHBondContact O-CD 3.23Å
22	T	45	Very low	53.3	Low	119 Å²	119	110.2 Å²	110.2	73%	0.73	58%	0.578	S	S	*	*			trans	-49.7	117.8	169.6	45.6	0	0	0	0	105.9	A20 K24	A20-T22 VanDerWaalsContact C-N 3.32Å; A20-T22 PolarHBondContact O-N 2.84Å; T22-K24 PolarHBondContact O-N 3.33Å
23	P	53.1	Low	55	Low	63 Å²	63	107.1 Å²	107.1	41%	0.409	56%	0.559	S	S	.	*			trans	-56.7	114.2	-171.4	15.6	-27	0	0	0	108.6	E21 L105	E21-P23 WeakPolarHBondContact O-CD 3.23Å; P23-L105 WeakPolarHBondContact CB-O 3.32Å; P23-L105 HydrophobicContact CG-CB 4.41Å; P23-L105 WeakPolarHBondContact CG-O 3.26Å
24	K	58.2	Low	57.1	Low	184 Å²	184	102.8 Å²	102.8	80%	0.8	55%	0.546	S	S	*	.			trans	-61.3	131.1	-179.5	-74.8	-178.8	179.1	174.5	0	108.5	T22 K26	T22-K24 PolarHBondContact O-N 3.33Å; K24-K26 PolarHBondContact O-N 3.43Å
25	P	65.7	Low	59.3	Low	52 Å²	52	98.1 Å²	98.1	34%	0.338	53%	0.529	S	S	.	.			trans	-57.7	134	176.3	20.9	-30.4	0	0	0	110.4	H27 I107 V109	P25-H27 PolarHBondContact O-CD2 3.21Å; P25-H27 PolarHBondContact O-N 3.45Å; P25-I107 CarbonylContact C-O 3.52Å; P25-I107 WeakPolarHBondContact CA-O 3.43Å; P25-I107 HydrophobicContact CB-CB 3.98Å; P25-I107 HydrophobicContact CB-CG2 3.96Å; P25-V109 HydrophobicContact CB-CG2 3.79Å
26	K	73.2	Confident	61.6	Low	129 Å²	129	92.1 Å²	92.1	56%	0.561	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	100.5	173.2	-72.6	-174.6	178	-176.8	0	108.5	K24 I107 F108 V109	K24-K26 PolarHBondContact O-N 3.43Å; K26-I107 PolarHBondContact N-O 2.91Å; K26-F108 HydrophobicContact CB-CD1 3.92Å; K26-F108 HydrophobicContact CB-CE1 4.16Å; K26-F108 HydrophobicContact CD-CD1 4.38Å; K26-F108 HydrophobicContact CD-CE1 3.75Å; K26-F108 HydrophobicContact CD-CZ 4.31Å; K26-V109 PolarHBondContact O-N 3.14Å
27	H	78.5	Confident	64	Low	127 Å²	127	95.6 Å²	95.6	59%	0.588	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	130	173.8	-68.6	-92.6	0	0	0	110.5	P25 V109	P25-H27 PolarHBondContact O-CD2 3.21Å; P25-H27 PolarHBondContact O-N 3.45Å; H27-V109 CarbonylContact C-O 3.59Å; H27-V109 VanDerWaalsContact CA-O 3.3Å; H27-V109 WeakPolarHBondContact CA-O 3.46Å
28	K	82.5	Confident	66.7	Low	126 Å²	126	89.1 Å²	89.1	55%	0.548	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	121.9	173.3	-165.4	-177.9	-170.6	-178.8	0	109.4	I30 V109 Y110 N111	K28-I30 HydrophobicContact CD-CD1 4.5Å; K28-I30 HydrophobicContact CD-CG1 4.34Å; K28-I30 HydrophobicContact CG-CG1 4.32Å; K28-V109 PolarHBondContact N-O 3.3Å; K28-Y110 HydrophobicContact CB-CD1 3.8Å; K28-Y110 HydrophobicContact CB-CE1 3.82Å; K28-Y110 HydrophobicContact CD-CD1 4.29Å; K28-Y110 HydrophobicContact CD-CE1 3.77Å; K28-Y110 HydrophobicContact CG-CD1 4.46Å; K28-Y110 HydrophobicContact CG-CE1 4.34Å; K28-Y110 WeakPolarHBondContact O-CA 3.18Å; K28-N111 PolarHBondContact O-N 3.35Å
29	L	82.1	Confident	69.5	Low	113 Å²	113	88.8 Å²	88.8	59%	0.592	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	131.1	169.3	-168.5	67.9	0	0	0	108.5	N111 V113	L29-N111 CarbonylContact C-O 3.58Å; L29-N111 WeakPolarHBondContact CA-O 3.46Å; L29-N111 HydrophobicContact CD1-CB 3.72Å; L29-V113 HydrophobicContact CD1-CG2 3.77Å; L29-V113 HydrophobicContact CD2-CG2 4.28Å; L29-V113 HydrophobicContact CG-CG2 4.17Å
30	I	81.4	Confident	72.2	Confident	24 Å²	24	84 Å²	84	12%	0.123	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	113.7	177.6	-61.9	174	0	0	0	108.7	K28 A32 V38 L40 Y110 N111 F112 V113	K28-I30 HydrophobicContact CD-CD1 4.5Å; K28-I30 HydrophobicContact CD-CG1 4.34Å; K28-I30 HydrophobicContact CG-CG1 4.32Å; I30-A32 HydrophobicContact CG2-CB 4.32Å; I30-V38 HydrophobicContact CD1-CG1 4.41Å; I30-V38 HydrophobicContact CG2-CG1 4.25Å; I30-L40 HydrophobicContact CD1-CD2 3.24Å; I30-Y110 HydrophobicContact CD1-CD1 3.59Å; I30-Y110 HydrophobicContact CD1-CE1 4.12Å; I30-Y110 HydrophobicContact CD1-CG 4.49Å; I30-Y110 HydrophobicContact CG1-CD1 4.37Å; I30-N111 PolarHBondContact N-O 3.22Å; I30-F112 HydrophobicContact CB-CD1 3.97Å; I30-F112 HydrophobicContact CB-CE1 3.99Å; I30-F112 HydrophobicContact CD1-CE1 4.27Å; I30-F112 HydrophobicContact CD1-CZ 4.32Å; I30-F112 HydrophobicContact CG2-CD1 4.03Å; I30-F112 HydrophobicContact CG2-CE1 3.86Å; I30-F112 WeakPolarHBondContact O-CA 3.46Å; I30-V113 PolarHBondContact O-N 3.36Å
31	S	78.7	Confident	74.6	Confident	68 Å²	68	81.8 Å²	81.8	48%	0.476	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	116.5	172.2	-48	0	0	0	0	108.5	V113	S31-V113 WeakPolarHBondContact CA-O 3.49Å
32	A	78	Confident	76.8	Confident	12 Å²	12	73.3 Å²	73.3	10%	0.099	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	156.3	-178.8	0	0	0	0	0	112.7	I30 V38 I80 V113 I115	I30-A32 HydrophobicContact CG2-CB 4.32Å; A32-V38 HydrophobicContact CB-CG2 4.01Å; A32-I80 HydrophobicContact CB-CD1 3.27Å; A32-V113 PolarHBondContact N-O 3.39Å; A32-I115 PolarHBondContact O-N 2.93Å
33	P	82	Confident	78	Confident	23 Å²	23	68.2 Å²	68.2	15%	0.149	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	144.2	-174.8	-21.7	34.6	0	0	0	112.8	G35 D36 I115 L179	P33-G35 PolarHBondContact O-N 3.15Å; P33-D36 HydrophobicContact CB-CB 4.4Å; P33-D36 WeakPolarHBondContact CD-OD2 3.24Å; P33-D36 WeakPolarHBondContact CG-OD2 3.33Å; P33-D36 PolarHBondContact O-N 3.28Å; P33-I115 WeakPolarHBondContact CA-O 3.31Å; P33-L179 HydrophobicContact CB-CD1 3.8Å; P33-L179 HydrophobicContact CB-CD2 4.45Å; P33-L179 HydrophobicContact CG-CD1 3.86Å; P33-L179 HydrophobicContact CG-CD2 3.64Å; P33-L179 HydrophobicContact CG-CG 4.42Å
34	I	80.6	Confident	78.4	Confident	71 Å²	71	72.4 Å²	72.4	36%	0.364	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	130.8	169.9	-63.2	159.9	0	0	0	109.4	M82 P114 I115 V116	I34-M82 HydrophobicContact CD1-CG 3.73Å; I34-M82 HydrophobicContact CD1-SD 3.37Å; I34-M82 WeakPolarHBondContact CD1-SD 3.4Å; I34-M82 HydrophobicContact CG1-CG 4.47Å; I34-M82 HydrophobicContact CG1-SD 4.23Å; I34-P114 HydrophobicContact CD1-CB 4.44Å; I34-P114 HydrophobicContact CG1-CB 3.89Å; I34-I115 PolarHBondContact N-O 2.97Å; I34-V116 HydrophobicContact CD1-CB 4.27Å; I34-V116 HydrophobicContact CD1-CG2 3.47Å; I34-V116 VanDerWaalsContact CD1-CG2 3.47Å
35	G	79.9	Confident	78.2	Confident	30 Å²	30	64.4 Å²	64.4	31%	0.309	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	-10.4	-178.8	0	0	0	0	0	115	P33 R79 I80	P33-G35 PolarHBondContact O-N 3.15Å; G35-R79 VanDerWaalsContact C-CG 3.43Å; G35-R79 VanDerWaalsContact O-CD 3.24Å; G35-R79 WeakPolarHBondContact O-CD 3.24Å; G35-R79 WeakPolarHBondContact O-CG 3.37Å; G35-R79 PolarHBondContact O-NE 3.24Å; G35-I80 PolarHBondContact N-O 2.74Å
36	D	80.7	Confident	77.9	Confident	85 Å²	85	70 Å²	70	46%	0.455	37%	0.372	S	S	.	.			trans	-79.9	149.1	175.3	-79.3	0.4	0	0	0	111.6	P33 R79 I80	P33-D36 HydrophobicContact CB-CB 4.4Å; P33-D36 WeakPolarHBondContact CD-OD2 3.24Å; P33-D36 WeakPolarHBondContact CG-OD2 3.33Å; P33-D36 PolarHBondContact O-N 3.28Å; D36-R79 CarbonylContact O-C 3.44Å; D36-R79 WeakPolarHBondContact O-CA 3.42Å; D36-I80 PolarHBondContact O-N 3.45Å
37	R	84	Confident	77.6	Confident	153 Å²	153	65.5 Å²	65.5	58%	0.577	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	127.4	174.1	-100.1	-172.6	152.9	-161.1	-15.4	109.8	T69 D77 F78	R37-T69 PolarHBondContact NH2-OG1 3.04Å; R37-T69 VanDerWaalsContact NH2-OG1 3.09Å; R37-D77 IonicContact CZ-OD2 3.02Å; R37-D77 IonicContact NE-OD2 3.7Å; R37-D77 PolarHBondContact NE-OD2 3.3Å; R37-D77 IonicContact NH1-OD2 3.74Å; R37-D77 PolarHBondContact NH1-OD2 3.47Å; R37-D77 IonicContact NH2-OD2 3.48Å; R37-D77 PolarHBondContact NH2-OD2 2.72Å; R37-D77 VanDerWaalsContact NH2-OD2 3.09Å; R37-F78 WeakPolarHBondContact CA-O 3.46Å
38	V	86.4	Confident	77.1	Confident	22 Å²	22	69.3 Å²	69.3	13%	0.133	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	140.7	176.9	176.5	0	0	0	0	109.9	I30 A32 L40 D77 F78 I80 F112	I30-V38 HydrophobicContact CD1-CG1 4.41Å; I30-V38 HydrophobicContact CG2-CG1 4.25Å; A32-V38 HydrophobicContact CB-CG2 4.01Å; V38-L40 HydrophobicContact CG1-CD2 4.16Å; V38-D77 VanDerWaalsContact O-CA 3.26Å; V38-D77 WeakPolarHBondContact O-CA 3.36Å; V38-F78 PolarHBondContact N-O 2.84Å; V38-F78 PolarHBondContact O-N 2.79Å; V38-I80 HydrophobicContact CB-CD1 4.26Å; V38-I80 HydrophobicContact CB-CG1 4.48Å; V38-I80 HydrophobicContact CG2-CD1 3.4Å; V38-I80 HydrophobicContact CG2-CG1 3.99Å; V38-F112 HydrophobicContact CG1-CE1 4.22Å
39	V	87.4	Confident	76.7	Confident	90 Å²	90	69 Å²	69	55%	0.545	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121.5	177.1	-173.3	0	0	0	0	109.3	I76 D77	V39-I76 CarbonylContact C-O 3.6Å; V39-I76 WeakPolarHBondContact CA-O 3.33Å; V39-D77 HydrophobicContact CB-CB 4.43Å; V39-D77 HydrophobicContact CG2-CB 3.88Å
40	L	88.3	Confident	76.5	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.005	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	122.3	174.6	-56.5	-175.5	0	0	0	110.2	I30 V38 W54 S75 I76 F78 F89 Y110 F112	I30-L40 HydrophobicContact CD1-CD2 3.24Å; V38-L40 HydrophobicContact CG1-CD2 4.16Å; L40-W54 HydrophobicContact CB-CH2 3.53Å; L40-W54 HydrophobicContact CB-CZ2 4.27Å; L40-W54 HydrophobicContact CB-CZ3 4.18Å; L40-W54 HydrophobicContact CD1-CH2 4.25Å; L40-W54 HydrophobicContact CD1-CZ3 4.05Å; L40-S75 CarbonylContact O-C 2.98Å; L40-S75 WeakPolarHBondContact O-CA 3.36Å; L40-S75 WeakPolarHBondContact O-CB 3.42Å; L40-I76 HydrophobicContact CB-CG1 3.87Å; L40-I76 HydrophobicContact CD1-CD1 4.18Å; L40-I76 HydrophobicContact CD1-CG1 4.27Å; L40-I76 HydrophobicContact CG-CG1 4.38Å; L40-I76 PolarHBondContact N-O 2.93Å; L40-I76 PolarHBondContact O-N 3.08Å; L40-F78 HydrophobicContact CD1-CE1 3.74Å; L40-F78 HydrophobicContact CD1-CZ 4.25Å; L40-F78 HydrophobicContact CG-CE1 4.21Å; L40-F89 HydrophobicContact CD1-CB 4.1Å; L40-F89 HydrophobicContact CD1-CG 4.5Å; L40-Y110 HydrophobicContact CB-CD2 4.26Å; L40-Y110 HydrophobicContact CB-CE2 4.12Å; L40-Y110 HydrophobicContact CD1-CD2 4.01Å; L40-Y110 HydrophobicContact CD1-CG 4.04Å; L40-Y110 HydrophobicContact CD2-CD1 3.74Å; L40-Y110 HydrophobicContact CD2-CD2 4.3Å; L40-Y110 HydrophobicContact CD2-CE1 4.07Å; L40-Y110 HydrophobicContact CD2-CG 3.86Å; L40-Y110 HydrophobicContact CG-CD2 4.45Å; L40-Y110 HydrophobicContact CG-CG 4.42Å; L40-F112 HydrophobicContact CD1-CE2 3.9Å; L40-F112 HydrophobicContact CD1-CZ 3.82Å; L40-F112 HydrophobicContact CD2-CE1 4.5Å; L40-F112 HydrophobicContact CD2-CE2 4.38Å; L40-F112 HydrophobicContact CD2-CZ 3.7Å; L40-F112 HydrophobicContact CG-CZ 4.1Å
41	S	85	Confident	76.3	Confident	48 Å²	48	67 Å²	67	34%	0.336	36%	0.358	S	S	.	.			trans	-87.4	138.2	179.6	-177.2	0	0	0	0	111.3	G43 Y110	S41-G43 VanDerWaalsContact C-N 3.27Å; S41-G43 PolarHBondContact OG-N 3.41Å; S41-G43 VanDerWaalsContact OG-N 3.14Å; S41-Y110 PolarHBondContact O-OH 3.04Å
42	C	81.2	Confident	76.6	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.345	C	S	.	.			trans	-92.2	17.3	168.6	-162.8	0	0	0	0	113.1	Y52 W54 C91 F108	C42-Y52 HydrophobicContact CB-CD1 3.77Å; C42-Y52 HydrophobicContact CB-CE1 4.29Å; C42-W54 HydrophobicContact CB-CZ2 3.98Å; C42-C91 HydrophobicContact CB-CB 3.79Å; C42-C91 WeakPolarHBondContact CB-SG 3.06Å; C42-C91 WeakPolarHBondContact SG-CB 3.43Å; C42-C91 CovalentContact SG-SG 2Å; C42-C91 PolarHBondContact SG-SG 3.28Å; C42-F108 WeakPolarHBondContact O-CE2 3.4Å
43	G	70.1	Confident	77	Confident	12 Å²	12	69.3 Å²	69.3	12%	0.124	36%	0.357	C	S	.	.			trans	80.7	153.3	-171.2	0	0	0	0	0	112.9	S41	S41-G43 VanDerWaalsContact C-N 3.27Å; S41-G43 PolarHBondContact OG-N 3.41Å; S41-G43 VanDerWaalsContact OG-N 3.14Å
44	I	61.7	Low	77.3	Confident	151 Å²	151	68.7 Å²	68.7	77%	0.774	35%	0.352	S	S	*	.			trans	-94.5	108.9	-176.9	-56.8	168.5	0	0	0	108.1
45	G	55.6	Low	77.5	Confident	15 Å²	15	66.5 Å²	66.5	16%	0.155	34%	0.34	C	S	.	.			trans	-118.6	114.5	171.5	0	0	0	0	0	110.8	S47	G45-S47 PolarHBondContact O-N 2.95Å
46	N	58.5	Low	77.8	Confident	169 Å²	169	65.8 Å²	65.8	90%	0.904	33%	0.329	S	S	*	.			trans	-72.1	20.5	177.5	-80.5	-10.5	0	0	0	114.3
47	S	66.2	Low	78.1	Confident	36 Å²	36	65.1 Å²	65.1	25%	0.252	33%	0.326	S	S	.	.			trans	-91.9	128.2	-178	172.6	0	0	0	0	110.6	G45 Y49 R50 N95	G45-S47 PolarHBondContact O-N 2.95Å; S47-Y49 PolarHBondContact O-N 2.81Å; S47-Y49 PolarHBondContact OG-N 3.41Å; S47-R50 WeakPolarHBondContact O-CB 3.32Å; S47-R50 PolarHBondContact O-N 3.07Å; S47-N95 WeakPolarHBondContact CB-OD1 3.37Å; S47-N95 PolarHBondContact OG-OD1 3.07Å
48	K	69.9	Low	77.8	Confident	206 Å²	206	66.1 Å²	66.1	90%	0.896	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.6	171.4	-80	-173.3	175.5	-177.9	0	113.5
49	Y	72.7	Confident	77.7	Confident	119 Å²	119	72.3 Å²	72.3	47%	0.467	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	9.9	-176.7	-59	-73.8	0	0	0	112.8	S47 S96 Y97 P98	S47-Y49 PolarHBondContact O-N 2.81Å; S47-Y49 PolarHBondContact OG-N 3.41Å; Y49-S96 PolarHBondContact O-N 3.06Å; Y49-Y97 HydrophobicContact CD2-CD1 4.21Å; Y49-Y97 HydrophobicContact CD2-CE1 4.25Å; Y49-Y97 HydrophobicContact CG-CD1 4.36Å; Y49-P98 HydrophobicContact CE1-CG 4.02Å
50	R	77.6	Confident	77.5	Confident	41 Å²	41	72.6 Å²	72.6	16%	0.155	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	129.8	-177.9	-162.2	84.6	162.5	-152.9	-4.9	110.1	S47 Y52 S93 Y94 N95 L106	S47-R50 WeakPolarHBondContact O-CB 3.32Å; S47-R50 PolarHBondContact O-N 3.07Å; R50-Y52 HydrophobicContact CG-CE1 3.84Å; R50-Y52 HydrophobicContact CG-CE2 4.34Å; R50-S93 PolarHBondContact NH2-OG 3.36Å; R50-Y94 WeakPolarHBondContact CA-O 3.32Å; R50-N95 VanDerWaalsContact CD-OD1 3.27Å; R50-N95 WeakPolarHBondContact CD-OD1 3.49Å; R50-L106 VanDerWaalsContact NH2-CD1 3.3Å
51	V	78.9	Confident	77.3	Confident	56 Å²	56	73.2 Å²	73.2	34%	0.339	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.6	172.9	-178	0	0	0	0	108.4	S93 Y94	V51-S93 WeakPolarHBondContact O-CA 3.35Å; V51-Y94 HydrophobicContact CB-CD2 4.28Å; V51-Y94 HydrophobicContact CB-CE1 4.48Å; V51-Y94 HydrophobicContact CB-CE2 3.81Å; V51-Y94 HydrophobicContact CG1-CE1 4.41Å; V51-Y94 HydrophobicContact CG1-CE2 4.18Å; V51-Y94 HydrophobicContact CG2-CE2 4.2Å; V51-Y94 PolarHBondContact N-O 3.03Å; V51-Y94 PolarHBondContact O-N 3.2Å
52	Y	84.2	Confident	77	Confident	54 Å²	54	77 Å²	77	21%	0.212	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.6	177.1	-52.8	-77.8	0	0	0	108.7	C42 R50 N73 G74	C42-Y52 HydrophobicContact CB-CD1 3.77Å; C42-Y52 HydrophobicContact CB-CE1 4.29Å; R50-Y52 HydrophobicContact CG-CE1 3.84Å; R50-Y52 HydrophobicContact CG-CE2 4.34Å; Y52-N73 VanDerWaalsContact CZ-O 3.32Å; Y52-N73 PolarHBondContact OH-O 3.11Å; Y52-G74 VanDerWaalsContact CD2-CA 3.48Å
53	E	85.5	Confident	76.5	Confident	74 Å²	74	80.7 Å²	80.7	35%	0.346	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	116	179.7	-177	173.3	-174.5	0	0	109.1	C91 L92	E53-C91 WeakPolarHBondContact O-CA 3.46Å; E53-L92 HydrophobicContact CB-CB 4.25Å; E53-L92 PolarHBondContact N-O 3.46Å; E53-L92 PolarHBondContact O-N 3.41Å
54	W	88.4	Confident	76.3	Confident	10 Å²	10	84.4 Å²	84.4	4%	0.038	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	133.5	-179.9	-78.8	94	0	0	0	110.6	L40 C42 M61 F63 G74 I76 F89 S90 C91 Y110	L40-W54 HydrophobicContact CB-CH2 3.53Å; L40-W54 HydrophobicContact CB-CZ2 4.27Å; L40-W54 HydrophobicContact CB-CZ3 4.18Å; L40-W54 HydrophobicContact CD1-CH2 4.25Å; L40-W54 HydrophobicContact CD1-CZ3 4.05Å; C42-W54 HydrophobicContact CB-CZ2 3.98Å; W54-M61 HydrophobicContact CB-CB 4.06Å; W54-M61 HydrophobicContact CB-CE 4.11Å; W54-M61 HydrophobicContact CB-SD 4.14Å; W54-M61 HydrophobicContact CE3-CE 4.32Å; W54-M61 WeakPolarHBondContact O-CB 3.37Å; W54-M61 PolarHBondContact O-N 3.36Å; W54-F63 HydrophobicContact CB-CZ 4.45Å; W54-G74 PolarHBondContact NE1-O 3.43Å; W54-I76 HydrophobicContact CD2-CD1 3.58Å; W54-I76 HydrophobicContact CD2-CG1 4Å; W54-I76 HydrophobicContact CD2-CG2 4.12Å; W54-I76 HydrophobicContact CE3-CD1 3.47Å; W54-I76 VanDerWaalsContact CE3-CD1 3.47Å; W54-I76 HydrophobicContact CE3-CG1 4.13Å; W54-I76 HydrophobicContact CG-CD1 4.24Å; W54-I76 HydrophobicContact CG-CG2 4.12Å; W54-I76 HydrophobicContact CH2-CD1 4.01Å; W54-I76 HydrophobicContact CH2-CG1 3.8Å; W54-I76 HydrophobicContact CZ2-CB 4.41Å; W54-I76 HydrophobicContact CZ2-CD1 4.1Å; W54-I76 HydrophobicContact CZ2-CG1 3.63Å; W54-I76 HydrophobicContact CZ2-CG2 4.27Å; W54-I76 HydrophobicContact CZ3-CD1 3.7Å; W54-I76 HydrophobicContact CZ3-CG1 4.03Å; W54-F89 HydrophobicContact CZ3-CB 4.49Å; W54-S90 CarbonylContact C-O 3.52Å; W54-S90 WeakPolarHBondContact CA-O 3.32Å; W54-C91 HydrophobicContact CD2-CB 3.68Å; W54-C91 HydrophobicContact CE3-CB 3.71Å; W54-C91 HydrophobicContact CG-CB 4.43Å; W54-C91 HydrophobicContact CH2-CB 3.64Å; W54-C91 HydrophobicContact CZ2-CB 3.61Å; W54-C91 HydrophobicContact CZ3-CB 3.7Å; W54-Y110 HydrophobicContact CH2-CD2 4.08Å; W54-Y110 AromaticContact CH2-CE2 3.83Å; W54-Y110 HydrophobicContact CH2-CE2 3.83Å; W54-Y110 AromaticContact CZ3-CD2 3.99Å; W54-Y110 HydrophobicContact CZ3-CD2 3.99Å; W54-Y110 HydrophobicContact CZ3-CE2 4.19Å
55	L	86.5	Confident	76.3	Confident	24 Å²	24	82.2 Å²	82.2	13%	0.126	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.3	177	-57.7	167.1	0	0	0	109.9	K59 F89 S90 L92	L55-K59 CarbonylContact C-O 3.59Å; L55-K59 WeakPolarHBondContact CA-O 3.45Å; L55-F89 WeakPolarHBondContact O-CA 3.32Å; L55-S90 WeakPolarHBondContact CB-OG 3.33Å; L55-S90 PolarHBondContact N-O 3.07Å; L55-S90 PolarHBondContact O-N 3.45Å; L55-L92 HydrophobicContact CD1-CD1 3.49Å; L55-L92 VanDerWaalsContact CD1-CD1 3.49Å; L55-L92 HydrophobicContact CD1-CG 4.29Å; L55-L92 HydrophobicContact CG-CD1 4.21Å
56	D	86.1	Confident	76.6	Confident	15 Å²	15	82.2 Å²	82.2	8%	0.08	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	112.4	168.6	178.1	3.7	0	0	0	107.6	E58 K59 H66 R87 F89	D56-E58 VanDerWaalsContact C-N 3.32Å; D56-E58 PolarHBondContact O-N 3.07Å; D56-K59 PolarHBondContact N-O 3.45Å; D56-K59 PolarHBondContact O-N 2.78Å; D56-H66 IonicContact OD2-CD2 3.73Å; D56-H66 IonicContact OD2-CE1 3.86Å; D56-H66 PolarHBondContact OD2-CE1 3.26Å; D56-H66 IonicContact OD2-NE2 3.74Å; D56-H66 PolarHBondContact OD2-NE2 3.25Å; D56-R87 IonicContact OD1-NH1 2.7Å; D56-R87 PolarHBondContact OD1-NH1 3.5Å; D56-R87 IonicContact OD2-CZ 3.83Å; D56-R87 IonicContact OD2-NH1 2.96Å; D56-R87 PolarHBondContact OD2-NH1 3.47Å; D56-F89 HydrophobicContact CB-CD1 4.41Å; D56-F89 HydrophobicContact CB-CE1 4.33Å
57	N	85.2	Confident	77.2	Confident	72 Å²	72	80 Å²	80	39%	0.385	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	50.6	-174.6	-72	-17.4	0	0	0	112.5	K59 D86 I88	N57-K59 PolarHBondContact O-N 3.1Å; N57-K59 VanDerWaalsContact O-N 3.12Å; N57-D86 PolarHBondContact ND2-O 3.28Å; N57-I88 PolarHBondContact N-O 3.44Å; N57-I88 PolarHBondContact OD1-N 2.78Å
58	E	79.6	Confident	77.9	Confident	173 Å²	173	79 Å²	79	81%	0.808	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	6.6	-178.6	-53.7	-170.7	163.3	0	0	115.8	D56	D56-E58 VanDerWaalsContact C-N 3.32Å; D56-E58 PolarHBondContact O-N 3.07Å
59	K	84	Confident	78.5	Confident	152 Å²	152	72.4 Å²	72.4	66%	0.661	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	147.2	173.8	-65.1	-178.9	-178.4	177.9	0	111	L55 D56 N57 M61	L55-K59 CarbonylContact C-O 3.59Å; L55-K59 WeakPolarHBondContact CA-O 3.45Å; D56-K59 PolarHBondContact N-O 3.45Å; D56-K59 PolarHBondContact O-N 2.78Å; N57-K59 PolarHBondContact O-N 3.1Å; N57-K59 VanDerWaalsContact O-N 3.12Å; K59-M61 PolarHBondContact O-N 3.31Å
60	P	82.8	Confident	79	Confident	97 Å²	97	71.8 Å²	71.8	63%	0.63	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-50.7	126.4	174.2	-25.2	33.6	0	0	0	111.3	E62	P60-E62 PolarHBondContact O-N 2.7Å
61	M	83.2	Confident	79.3	Confident	14 Å²	14	73.7 Å²	73.7	7%	0.069	38%	0.383	C	S	.	.			trans	-69.7	125	-177	-179.5	-177.6	-68.7	0	0	111	W54 K59 F63 V68 I76 F89	W54-M61 HydrophobicContact CB-CB 4.06Å; W54-M61 HydrophobicContact CB-CE 4.11Å; W54-M61 HydrophobicContact CB-SD 4.14Å; W54-M61 HydrophobicContact CE3-CE 4.32Å; W54-M61 WeakPolarHBondContact O-CB 3.37Å; W54-M61 PolarHBondContact O-N 3.36Å; K59-M61 PolarHBondContact O-N 3.31Å; M61-F63 PolarHBondContact O-N 3.37Å; M61-F63 HydrophobicContact SD-CD1 4.37Å; M61-F63 HydrophobicContact SD-CE1 4.12Å; M61-V68 HydrophobicContact SD-CG2 4.39Å; M61-I76 HydrophobicContact CE-CD1 3.78Å; M61-I76 HydrophobicContact SD-CD1 3.96Å; M61-F89 HydrophobicContact CE-CD1 3.24Å; M61-F89 HydrophobicContact CE-CE1 3.61Å; M61-F89 HydrophobicContact CE-CG 4.38Å
62	E	79.2	Confident	79.1	Confident	128 Å²	128	77.4 Å²	77.4	60%	0.598	41%	0.411	S	S	*	.			trans	-87	101.5	168.9	-70.5	-174.3	-173.6	0	0	110.5	P60 A64 I65	P60-E62 PolarHBondContact O-N 2.7Å; E62-A64 PolarHBondContact O-N 3.02Å; E62-A64 VanDerWaalsContact O-N 3.14Å; E62-I65 HydrophobicContact CB-CD1 4.04Å; E62-I65 HydrophobicContact CB-CG1 4.18Å; E62-I65 PolarHBondContact O-N 3.27Å; E62-I65 WeakPolarHBondContact OE2-CD1 3.42Å
63	F	71.6	Confident	78.8	Confident	77 Å²	77	78.4 Å²	78.4	34%	0.338	42%	0.42	S	S	.	.	H	α-helix	trans	-57.8	-28.8	-177	-69.8	-83.1	0	0	0	114.3	W54 M61 V68 M70 I76	W54-F63 HydrophobicContact CB-CZ 4.45Å; M61-F63 PolarHBondContact O-N 3.37Å; M61-F63 HydrophobicContact SD-CD1 4.37Å; M61-F63 HydrophobicContact SD-CE1 4.12Å; F63-V68 HydrophobicContact CD1-CB 3.91Å; F63-V68 HydrophobicContact CD1-CG1 3.66Å; F63-V68 HydrophobicContact CE1-CG1 3.91Å; F63-V68 PolarHBondContact O-N 3.39Å; F63-M70 HydrophobicContact CE1-CB 4.17Å; F63-M70 HydrophobicContact CE1-SD 4.5Å; F63-M70 HydrophobicContact CZ-SD 4.11Å; F63-I76 HydrophobicContact CE1-CG2 3.88Å
64	A	64.2	Low	78.7	Confident	90 Å²	90	75 Å²	75	74%	0.744	41%	0.405	S	S	*	.	H	α-helix	trans	-68	-34.2	-178.7	0	0	0	0	0	113.2	E62 H66	E62-A64 PolarHBondContact O-N 3.02Å; E62-A64 VanDerWaalsContact O-N 3.14Å; A64-H66 VanDerWaalsContact C-N 3.34Å
65	I	62.5	Low	78.6	Confident	105 Å²	105	74.8 Å²	74.8	54%	0.538	41%	0.405	S	S	.	.	H	α-helix	trans	-70.4	-35	-177.1	-63.8	-179.1	0	0	0	111	E62	E62-I65 HydrophobicContact CB-CD1 4.04Å; E62-I65 HydrophobicContact CB-CG1 4.18Å; E62-I65 PolarHBondContact O-N 3.27Å; E62-I65 WeakPolarHBondContact OE2-CD1 3.42Å
66	H	62.7	Low	78.6	Confident	15 Å²	15	73.7 Å²	73.7	7%	0.069	40%	0.399	C	S	.	.	H	α-helix	trans	-100	0.5	-168	-66.7	-60.6	0	0	0	114.7	D56 A64 V68	D56-H66 IonicContact OD2-CD2 3.73Å; D56-H66 IonicContact OD2-CE1 3.86Å; D56-H66 PolarHBondContact OD2-CE1 3.26Å; D56-H66 IonicContact OD2-NE2 3.74Å; D56-H66 PolarHBondContact OD2-NE2 3.25Å; A64-H66 VanDerWaalsContact C-N 3.34Å; H66-V68 HydrophobicContact CB-CB 4.39Å; H66-V68 HydrophobicContact CB-CG2 3.32Å; H66-V68 PolarHBondContact O-N 2.66Å
67	N	71.6	Confident	78.6	Confident	123 Å²	123	73.4 Å²	73.4	66%	0.658	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	40.9	-168.8	-81.9	-13.5	0	0	0	112.1
68	V	80	Confident	78.6	Confident	14 Å²	14	70.1 Å²	70.1	9%	0.085	38%	0.38	C	S	.	.			trans	-84.8	133.3	-178.7	173.7	0	0	0	0	109	M61 F63 H66 I76 D77 F78	M61-V68 HydrophobicContact SD-CG2 4.39Å; F63-V68 HydrophobicContact CD1-CB 3.91Å; F63-V68 HydrophobicContact CD1-CG1 3.66Å; F63-V68 HydrophobicContact CE1-CG1 3.91Å; F63-V68 PolarHBondContact O-N 3.39Å; H66-V68 HydrophobicContact CB-CB 4.39Å; H66-V68 HydrophobicContact CB-CG2 3.32Å; H66-V68 PolarHBondContact O-N 2.66Å; V68-I76 HydrophobicContact CG1-CB 3.6Å; V68-I76 HydrophobicContact CG1-CD1 4.24Å; V68-I76 HydrophobicContact CG1-CG1 4.42Å; V68-I76 HydrophobicContact CG1-CG2 3.92Å; V68-D77 WeakPolarHBondContact CA-O 3.36Å; V68-F78 HydrophobicContact CB-CB 4.39Å; V68-F78 HydrophobicContact CG2-CB 3.64Å; V68-F78 HydrophobicContact CG2-CD1 3.98Å; V68-F78 HydrophobicContact CG2-CG 3.98Å
69	T	82.4	Confident	78.8	Confident	67 Å²	67	69.4 Å²	69.4	41%	0.411	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.4	169.6	28.8	0	0	0	0	109.7	R37 I76 D77	R37-T69 PolarHBondContact NH2-OG1 3.04Å; R37-T69 VanDerWaalsContact NH2-OG1 3.09Å; T69-I76 CarbonylContact O-C 3.48Å; T69-I76 WeakPolarHBondContact O-CA 3.43Å; T69-D77 WeakPolarHBondContact CB-OD1 3.49Å; T69-D77 PolarHBondContact N-O 2.8Å; T69-D77 PolarHBondContact O-N 3.3Å; T69-D77 PolarHBondContact OG1-OD1 3.45Å; T69-D77 PolarHBondContact OG1-OD2 3.47Å
70	M	82.5	Confident	78.6	Confident	107 Å²	107	62.2 Å²	62.2	53%	0.527	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.6	177.3	-169.6	176.5	67.1	0	0	109.7	F63 S75 I76	F63-M70 HydrophobicContact CE1-CB 4.17Å; F63-M70 HydrophobicContact CE1-SD 4.5Å; F63-M70 HydrophobicContact CZ-SD 4.11Å; M70-S75 CarbonylContact C-O 3.43Å; M70-S75 WeakPolarHBondContact CA-O 3.5Å; M70-I76 HydrophobicContact CB-CG2 4.16Å; M70-I76 HydrophobicContact CG-CG2 3.99Å
71	H	83.8	Confident	78.6	Confident	80 Å²	80	62.3 Å²	62.3	37%	0.37	33%	0.326	S	S	.	.			trans	-83.2	161.3	176.9	-63.5	-79.8	0	0	0	111.6	N73 G74 S75 D77	H71-N73 VanDerWaalsContact CB-OD1 3.31Å; H71-N73 WeakPolarHBondContact CB-OD1 3.3Å; H71-N73 PolarHBondContact O-N 3.05Å; H71-N73 VanDerWaalsContact O-N 3.09Å; H71-G74 PolarHBondContact O-N 2.91Å; H71-S75 WeakPolarHBondContact CB-OG 3.45Å; H71-S75 PolarHBondContact CD2-OG 3.49Å; H71-S75 VanDerWaalsContact CD2-OG 3.31Å; H71-S75 PolarHBondContact N-O 3.29Å; H71-D77 IonicContact CD2-OD1 2.71Å; H71-D77 IonicContact CE1-OD1 3.47Å; H71-D77 IonicContact NE2-OD1 2.71Å; H71-D77 PolarHBondContact NE2-OD1 2.93Å
72	S	75.7	Confident	78.2	Confident	134 Å²	134	67.1 Å²	67.1	94%	0.937	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.9	-178.4	53.8	0	0	0	0	114.7	G74	S72-G74 VanDerWaalsContact C-N 3.32Å
73	N	78.3	Confident	78.3	Confident	76 Å²	76	65.2 Å²	65.2	41%	0.406	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	6.5	175.4	66.5	-3.6	0	0	0	113.6	Y52 H71 S75	Y52-N73 VanDerWaalsContact CZ-O 3.32Å; Y52-N73 PolarHBondContact OH-O 3.11Å; H71-N73 VanDerWaalsContact CB-OD1 3.31Å; H71-N73 WeakPolarHBondContact CB-OD1 3.3Å; H71-N73 PolarHBondContact O-N 3.05Å; H71-N73 VanDerWaalsContact O-N 3.09Å; N73-S75 VanDerWaalsContact C-N 3.29Å; N73-S75 PolarHBondContact ND2-OG 3.28Å; N73-S75 PolarHBondContact O-N 3.13Å; N73-S75 VanDerWaalsContact OD1-CB 3.28Å; N73-S75 WeakPolarHBondContact OD1-CB 3.25Å; N73-S75 PolarHBondContact OD1-N 3.44Å; N73-S75 PolarHBondContact OD1-OG 3.29Å
74	G	81.6	Confident	78.7	Confident	2 Å²	2	61.7 Å²	61.7	2%	0.021	33%	0.326	C	S	.	.	S	Bend	trans	82	-2.2	-178	0	0	0	0	0	115.3	Y52 W54 H71 S72	Y52-G74 VanDerWaalsContact CD2-CA 3.48Å; W54-G74 PolarHBondContact NE1-O 3.43Å; H71-G74 PolarHBondContact O-N 2.91Å; S72-G74 VanDerWaalsContact C-N 3.32Å
75	S	86.3	Confident	79.2	Confident	6 Å²	6	59.5 Å²	59.5	4%	0.042	31%	0.308	C	S	.	.			trans	-71.1	149.9	172.2	65.8	0	0	0	0	111.5	L40 M70 H71 N73	L40-S75 CarbonylContact O-C 2.98Å; L40-S75 WeakPolarHBondContact O-CA 3.36Å; L40-S75 WeakPolarHBondContact O-CB 3.42Å; M70-S75 CarbonylContact C-O 3.43Å; M70-S75 WeakPolarHBondContact CA-O 3.5Å; H71-S75 WeakPolarHBondContact CB-OG 3.45Å; H71-S75 PolarHBondContact CD2-OG 3.49Å; H71-S75 VanDerWaalsContact CD2-OG 3.31Å; H71-S75 PolarHBondContact N-O 3.29Å; N73-S75 VanDerWaalsContact C-N 3.29Å; N73-S75 PolarHBondContact ND2-OG 3.28Å; N73-S75 PolarHBondContact O-N 3.13Å; N73-S75 VanDerWaalsContact OD1-CB 3.28Å; N73-S75 WeakPolarHBondContact OD1-CB 3.25Å; N73-S75 PolarHBondContact OD1-N 3.44Å; N73-S75 PolarHBondContact OD1-OG 3.29Å
76	I	87.5	Confident	79.8	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143	176.6	61.6	170.2	0	0	0	110.6	V39 L40 W54 M61 F63 V68 T69 M70 F78	V39-I76 CarbonylContact C-O 3.6Å; V39-I76 WeakPolarHBondContact CA-O 3.33Å; L40-I76 HydrophobicContact CB-CG1 3.87Å; L40-I76 HydrophobicContact CD1-CD1 4.18Å; L40-I76 HydrophobicContact CD1-CG1 4.27Å; L40-I76 HydrophobicContact CG-CG1 4.38Å; L40-I76 PolarHBondContact N-O 2.93Å; L40-I76 PolarHBondContact O-N 3.08Å; W54-I76 HydrophobicContact CD2-CD1 3.58Å; W54-I76 HydrophobicContact CD2-CG1 4Å; W54-I76 HydrophobicContact CD2-CG2 4.12Å; W54-I76 HydrophobicContact CE3-CD1 3.47Å; W54-I76 VanDerWaalsContact CE3-CD1 3.47Å; W54-I76 HydrophobicContact CE3-CG1 4.13Å; W54-I76 HydrophobicContact CG-CD1 4.24Å; W54-I76 HydrophobicContact CG-CG2 4.12Å; W54-I76 HydrophobicContact CH2-CD1 4.01Å; W54-I76 HydrophobicContact CH2-CG1 3.8Å; W54-I76 HydrophobicContact CZ2-CB 4.41Å; W54-I76 HydrophobicContact CZ2-CD1 4.1Å; W54-I76 HydrophobicContact CZ2-CG1 3.63Å; W54-I76 HydrophobicContact CZ2-CG2 4.27Å; W54-I76 HydrophobicContact CZ3-CD1 3.7Å; W54-I76 HydrophobicContact CZ3-CG1 4.03Å; M61-I76 HydrophobicContact CE-CD1 3.78Å; M61-I76 HydrophobicContact SD-CD1 3.96Å; F63-I76 HydrophobicContact CE1-CG2 3.88Å; V68-I76 HydrophobicContact CG1-CB 3.6Å; V68-I76 HydrophobicContact CG1-CD1 4.24Å; V68-I76 HydrophobicContact CG1-CG1 4.42Å; V68-I76 HydrophobicContact CG1-CG2 3.92Å; T69-I76 CarbonylContact O-C 3.48Å; T69-I76 WeakPolarHBondContact O-CA 3.43Å; M70-I76 HydrophobicContact CB-CG2 4.16Å; M70-I76 HydrophobicContact CG-CG2 3.99Å; I76-F78 HydrophobicContact CD1-CD1 4.43Å; I76-F78 HydrophobicContact CD1-CE1 4.25Å
77	D	86.6	Confident	80.7	Confident	10 Å²	10	64 Å²	64	5%	0.053	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136.6	171.8	80.1	-56.7	0	0	0	112.1	R37 V38 V39 V68 T69 H71	R37-D77 IonicContact CZ-OD2 3.02Å; R37-D77 IonicContact NE-OD2 3.7Å; R37-D77 PolarHBondContact NE-OD2 3.3Å; R37-D77 IonicContact NH1-OD2 3.74Å; R37-D77 PolarHBondContact NH1-OD2 3.47Å; R37-D77 IonicContact NH2-OD2 3.48Å; R37-D77 PolarHBondContact NH2-OD2 2.72Å; R37-D77 VanDerWaalsContact NH2-OD2 3.09Å; V38-D77 VanDerWaalsContact O-CA 3.26Å; V38-D77 WeakPolarHBondContact O-CA 3.36Å; V39-D77 HydrophobicContact CB-CB 4.43Å; V39-D77 HydrophobicContact CG2-CB 3.88Å; V68-D77 WeakPolarHBondContact CA-O 3.36Å; T69-D77 WeakPolarHBondContact CB-OD1 3.49Å; T69-D77 PolarHBondContact N-O 2.8Å; T69-D77 PolarHBondContact O-N 3.3Å; T69-D77 PolarHBondContact OG1-OD1 3.45Å; T69-D77 PolarHBondContact OG1-OD2 3.47Å; H71-D77 IonicContact CD2-OD1 2.71Å; H71-D77 IonicContact CE1-OD1 3.47Å; H71-D77 IonicContact NE2-OD1 2.71Å; H71-D77 PolarHBondContact NE2-OD1 2.93Å
78	F	84.4	Confident	81.3	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.009	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	169.6	177.2	63.1	-86.4	0	0	0	111.1	R37 V38 L40 V68 I76 F89 F112	R37-F78 WeakPolarHBondContact CA-O 3.46Å; V38-F78 PolarHBondContact N-O 2.84Å; V38-F78 PolarHBondContact O-N 2.79Å; L40-F78 HydrophobicContact CD1-CE1 3.74Å; L40-F78 HydrophobicContact CD1-CZ 4.25Å; L40-F78 HydrophobicContact CG-CE1 4.21Å; V68-F78 HydrophobicContact CB-CB 4.39Å; V68-F78 HydrophobicContact CG2-CB 3.64Å; V68-F78 HydrophobicContact CG2-CD1 3.98Å; V68-F78 HydrophobicContact CG2-CG 3.98Å; I76-F78 HydrophobicContact CD1-CD1 4.43Å; I76-F78 HydrophobicContact CD1-CE1 4.25Å; F78-F89 HydrophobicContact CE2-CE2 4.23Å; F78-F89 HydrophobicContact CE2-CZ 4.27Å; F78-F89 HydrophobicContact CZ-CD2 4.14Å; F78-F89 AromaticContact CZ-CE2 3.73Å; F78-F89 HydrophobicContact CZ-CE2 3.73Å; F78-F89 AromaticContact CZ-CZ 3.92Å; F78-F89 HydrophobicContact CZ-CZ 3.92Å; F78-F112 HydrophobicContact CE1-CZ 4.24Å; F78-F112 HydrophobicContact CE2-CZ 4.3Å; F78-F112 HydrophobicContact CZ-CE1 4.39Å; F78-F112 AromaticContact CZ-CE2 3.73Å; F78-F112 HydrophobicContact CZ-CE2 3.73Å; F78-F112 AromaticContact CZ-CZ 3.53Å; F78-F112 HydrophobicContact CZ-CZ 3.53Å
79	R	83.6	Confident	81.7	Confident	158 Å²	158	61.2 Å²	61.2	60%	0.596	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	126.9	-179	-172	176.6	-94.3	166.5	-0.3	110.1	G35 D36	G35-R79 VanDerWaalsContact C-CG 3.43Å; G35-R79 VanDerWaalsContact O-CD 3.24Å; G35-R79 WeakPolarHBondContact O-CD 3.24Å; G35-R79 WeakPolarHBondContact O-CG 3.37Å; G35-R79 PolarHBondContact O-NE 3.24Å; D36-R79 CarbonylContact O-C 3.44Å; D36-R79 WeakPolarHBondContact O-CA 3.42Å
80	I	81	Confident	82	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	30%	0.296	C	S	.	.			trans	-66	134.5	-179.1	-68.4	176.6	0	0	0	111	A32 G35 D36 V38 F112 P114	A32-I80 HydrophobicContact CB-CD1 3.27Å; G35-I80 PolarHBondContact N-O 2.74Å; D36-I80 PolarHBondContact O-N 3.45Å; V38-I80 HydrophobicContact CB-CD1 4.26Å; V38-I80 HydrophobicContact CB-CG1 4.48Å; V38-I80 HydrophobicContact CG2-CD1 3.4Å; V38-I80 HydrophobicContact CG2-CG1 3.99Å; I80-F112 HydrophobicContact CD1-CD1 4.01Å; I80-F112 HydrophobicContact CD1-CE1 4.03Å; I80-F112 HydrophobicContact CG1-CD1 4.33Å; I80-F112 HydrophobicContact CG1-CE1 4.23Å; I80-P114 HydrophobicContact CG2-CB 4.01Å; I80-P114 HydrophobicContact CG2-CG 4.31Å
81	R	81.8	Confident	82.3	Confident	100 Å²	100	53.5 Å²	53.5	38%	0.377	27%	0.271	S	S	.	.			trans	-130.4	162.7	174.7	-64.8	176.5	176.6	168.9	1.7	110	E83 N84	R81-E83 HydrophobicContact CB-CG 3.8Å; R81-E83 WeakPolarHBondContact CD-OE1 3.34Å; R81-E83 IonicContact CZ-OE1 3.21Å; R81-E83 IonicContact NE-OE1 3.78Å; R81-E83 IonicContact NH1-OE1 3.13Å; R81-E83 PolarHBondContact NH1-OE1 3.04Å; R81-E83 PolarHBondContact O-N 3.35Å; R81-N84 PolarHBondContact N-OD1 3.32Å; R81-N84 WeakPolarHBondContact O-CB 2.91Å; R81-N84 PolarHBondContact O-N 2.88Å; R81-N84 VanDerWaalsContact O-N 3.09Å; R81-N84 PolarHBondContact O-OD1 2.95Å
82	M	76.2	Confident	82.3	Confident	114 Å²	114	51.2 Å²	51.2	56%	0.562	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-58.5	-36.2	176.9	-76.9	-64.1	-74.3	0	0	112.6	I34 N84 A85 P114 V116	I34-M82 HydrophobicContact CD1-CG 3.73Å; I34-M82 HydrophobicContact CD1-SD 3.37Å; I34-M82 WeakPolarHBondContact CD1-SD 3.4Å; I34-M82 HydrophobicContact CG1-CG 4.47Å; I34-M82 HydrophobicContact CG1-SD 4.23Å; M82-N84 PolarHBondContact O-N 3.4Å; M82-A85 WeakPolarHBondContact O-CB 3.41Å; M82-A85 PolarHBondContact O-N 3.12Å; M82-A85 VanDerWaalsContact O-N 3.1Å; M82-P114 HydrophobicContact SD-CB 4.22Å; M82-V116 HydrophobicContact SD-CG2 3.98Å
83	E	79.7	Confident	82.6	Confident	89 Å²	89	44.9 Å²	44.9	42%	0.416	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-63.1	-11.4	177.4	64.5	-174.3	167.9	0	0	114.5	R81 R87	R81-E83 HydrophobicContact CB-CG 3.8Å; R81-E83 WeakPolarHBondContact CD-OE1 3.34Å; R81-E83 IonicContact CZ-OE1 3.21Å; R81-E83 IonicContact NE-OE1 3.78Å; R81-E83 IonicContact NH1-OE1 3.13Å; R81-E83 PolarHBondContact NH1-OE1 3.04Å; R81-E83 PolarHBondContact O-N 3.35Å; E83-R87 WeakPolarHBondContact O-CG 3.27Å; E83-R87 PolarHBondContact O-NE 3.24Å
84	N	80.2	Confident	82.7	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.016	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-84.2	-12.7	176.2	-57	123.8	0	0	0	113.1	R81 M82 D86 R87 F89	R81-N84 PolarHBondContact N-OD1 3.32Å; R81-N84 WeakPolarHBondContact O-CB 2.91Å; R81-N84 PolarHBondContact O-N 2.88Å; R81-N84 VanDerWaalsContact O-N 3.09Å; R81-N84 PolarHBondContact O-OD1 2.95Å; M82-N84 PolarHBondContact O-N 3.4Å; N84-D86 VanDerWaalsContact C-N 3.27Å; N84-D86 PolarHBondContact O-N 3.05Å; N84-R87 PolarHBondContact O-N 3.16Å; N84-F89 HydrophobicContact CB-CE2 4.31Å
85	A	74	Confident	82.6	Confident	44 Å²	44	43.5 Å²	43.5	36%	0.364	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-38.1	179.1	0	0	0	0	0	112.5	M82 R87 P114	M82-A85 WeakPolarHBondContact O-CB 3.41Å; M82-A85 PolarHBondContact O-N 3.12Å; M82-A85 VanDerWaalsContact O-N 3.1Å; A85-R87 VanDerWaalsContact C-N 3.31Å; A85-R87 PolarHBondContact O-N 3.03Å; A85-P114 HydrophobicContact CB-CG 3.84Å
86	D	75.6	Confident	82.2	Confident	143 Å²	143	45.5 Å²	45.5	77%	0.765	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	11.8	-178.1	-59.1	-34.4	0	0	0	112.8	N57 N84	N57-D86 PolarHBondContact ND2-O 3.28Å; N84-D86 VanDerWaalsContact C-N 3.27Å; N84-D86 PolarHBondContact O-N 3.05Å
87	R	82.7	Confident	81.7	Confident	71 Å²	71	49.1 Å²	49.1	27%	0.268	24%	0.235	S	C	.	.			trans	-113.5	133.6	-175.7	-65.5	-176	-172.8	-98.4	-0.8	111.8	D56 E83 N84 A85 F89	D56-R87 IonicContact OD1-NH1 2.7Å; D56-R87 PolarHBondContact OD1-NH1 3.5Å; D56-R87 IonicContact OD2-CZ 3.83Å; D56-R87 IonicContact OD2-NH1 2.96Å; D56-R87 PolarHBondContact OD2-NH1 3.47Å; E83-R87 WeakPolarHBondContact O-CG 3.27Å; E83-R87 PolarHBondContact O-NE 3.24Å; N84-R87 PolarHBondContact O-N 3.16Å; A85-R87 VanDerWaalsContact C-N 3.31Å; A85-R87 PolarHBondContact O-N 3.03Å; R87-F89 HydrophobicContact CB-CD2 4.39Å; R87-F89 HydrophobicContact CB-CE2 3.87Å; R87-F89 HydrophobicContact CB-CZ 4.12Å
88	I	84.2	Confident	81.1	Confident	77 Å²	77	53.6 Å²	53.6	40%	0.395	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	107.8	173.9	-57	-178.2	0	0	0	107	N57 V109 N111	N57-I88 PolarHBondContact N-O 3.44Å; N57-I88 PolarHBondContact OD1-N 2.78Å; I88-V109 HydrophobicContact CG2-CG1 3.34Å; I88-N111 WeakPolarHBondContact CG1-OD1 3.3Å
89	F	88.3	Confident	80.6	Confident	1 Å²	1	60.6 Å²	60.6	0%	0.004	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	122.6	176	-66.6	-76.2	0	0	0	109	L40 W54 L55 D56 M61 F78 N84 R87 V109 Y110 F112	L40-F89 HydrophobicContact CD1-CB 4.1Å; L40-F89 HydrophobicContact CD1-CG 4.5Å; W54-F89 HydrophobicContact CZ3-CB 4.49Å; L55-F89 WeakPolarHBondContact O-CA 3.32Å; D56-F89 HydrophobicContact CB-CD1 4.41Å; D56-F89 HydrophobicContact CB-CE1 4.33Å; M61-F89 HydrophobicContact CE-CD1 3.24Å; M61-F89 HydrophobicContact CE-CE1 3.61Å; M61-F89 HydrophobicContact CE-CG 4.38Å; F78-F89 HydrophobicContact CE2-CE2 4.23Å; F78-F89 HydrophobicContact CE2-CZ 4.27Å; F78-F89 HydrophobicContact CZ-CD2 4.14Å; F78-F89 AromaticContact CZ-CE2 3.73Å; F78-F89 HydrophobicContact CZ-CE2 3.73Å; F78-F89 AromaticContact CZ-CZ 3.92Å; F78-F89 HydrophobicContact CZ-CZ 3.92Å; N84-F89 HydrophobicContact CB-CE2 4.31Å; R87-F89 HydrophobicContact CB-CD2 4.39Å; R87-F89 HydrophobicContact CB-CE2 3.87Å; R87-F89 HydrophobicContact CB-CZ 4.12Å; F89-V109 CarbonylContact O-C 3.57Å; F89-Y110 PolarHBondContact N-O 3.14Å; F89-Y110 WeakPolarHBondContact O-CA 3.46Å; F89-Y110 WeakPolarHBondContact O-CB 3.22Å; F89-Y110 PolarHBondContact O-N 3.25Å; F89-F112 AromaticContact CD2-CD2 3.61Å; F89-F112 HydrophobicContact CD2-CD2 3.61Å; F89-F112 AromaticContact CD2-CE2 3.38Å; F89-F112 HydrophobicContact CD2-CE2 3.38Å; F89-F112 AromaticContact CE2-CD2 3.91Å; F89-F112 HydrophobicContact CE2-CD2 3.91Å; F89-F112 AromaticContact CE2-CE2 3.84Å; F89-F112 HydrophobicContact CE2-CE2 3.84Å; F89-F112 HydrophobicContact CG-CE2 4.3Å
90	S	87.5	Confident	79.8	Confident	13 Å²	13	56 Å²	56	9%	0.091	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148	175.8	58.2	0	0	0	0	111.9	W54 L55 F108	W54-S90 CarbonylContact C-O 3.52Å; W54-S90 WeakPolarHBondContact CA-O 3.32Å; L55-S90 WeakPolarHBondContact CB-OG 3.33Å; L55-S90 PolarHBondContact N-O 3.07Å; L55-S90 PolarHBondContact O-N 3.45Å; S90-F108 CarbonylContact C-O 3.51Å; S90-F108 WeakPolarHBondContact CA-O 3.35Å; S90-F108 VanDerWaalsContact CB-O 3.28Å; S90-F108 WeakPolarHBondContact CB-O 3.34Å
91	C	88.4	Confident	79.5	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.3	174.4	-167.3	0	0	0	0	110.4	C42 E53 W54 I107 F108	C42-C91 HydrophobicContact CB-CB 3.79Å; C42-C91 WeakPolarHBondContact CB-SG 3.06Å; C42-C91 WeakPolarHBondContact SG-CB 3.43Å; C42-C91 CovalentContact SG-SG 2Å; C42-C91 PolarHBondContact SG-SG 3.28Å; E53-C91 WeakPolarHBondContact O-CA 3.46Å; W54-C91 HydrophobicContact CD2-CB 3.68Å; W54-C91 HydrophobicContact CE3-CB 3.71Å; W54-C91 HydrophobicContact CG-CB 4.43Å; W54-C91 HydrophobicContact CH2-CB 3.64Å; W54-C91 HydrophobicContact CZ2-CB 3.61Å; W54-C91 HydrophobicContact CZ3-CB 3.7Å; C91-I107 WeakPolarHBondContact O-CA 3.37Å; C91-F108 PolarHBondContact N-O 2.89Å; C91-F108 PolarHBondContact O-N 3Å
92	L	84	Confident	78.7	Confident	32 Å²	32	61.1 Å²	61.1	17%	0.168	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	116.1	170.9	-67.9	158.3	0	0	0	107.6	E53 L55 L105 I107	E53-L92 HydrophobicContact CB-CB 4.25Å; E53-L92 PolarHBondContact N-O 3.46Å; E53-L92 PolarHBondContact O-N 3.41Å; L55-L92 HydrophobicContact CD1-CD1 3.49Å; L55-L92 VanDerWaalsContact CD1-CD1 3.49Å; L55-L92 HydrophobicContact CD1-CG 4.29Å; L55-L92 HydrophobicContact CG-CD1 4.21Å; L92-L105 HydrophobicContact CB-CD1 4.4Å; L92-L105 HydrophobicContact CD2-CD1 3.79Å; L92-L105 HydrophobicContact CD2-CD2 3.9Å; L92-L105 HydrophobicContact CD2-CG 4.01Å; L92-I107 HydrophobicContact CD2-CD1 3.98Å; L92-I107 HydrophobicContact CD2-CG1 3.73Å; L92-I107 HydrophobicContact CD2-CG2 4.44Å
93	S	82.7	Confident	78.3	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.6	167.4	73.2	0	0	0	0	111	R50 V51 S104 L105 L106	R50-S93 PolarHBondContact NH2-OG 3.36Å; V51-S93 WeakPolarHBondContact O-CA 3.35Å; S93-S104 VanDerWaalsContact O-O 3.06Å; S93-L105 CarbonylContact O-C 3.48Å; S93-L105 WeakPolarHBondContact O-CA 3.49Å; S93-L106 PolarHBondContact N-O 3.32Å; S93-L106 PolarHBondContact O-N 3.39Å; S93-L106 WeakPolarHBondContact OG-CB 3.18Å
94	Y	80.8	Confident	77.3	Confident	35 Å²	35	58.9 Å²	58.9	14%	0.137	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	156.1	177.7	54.7	-89.2	0	0	0	110.6	R50 V51 Q102 S104 L105	R50-Y94 WeakPolarHBondContact CA-O 3.32Å; V51-Y94 HydrophobicContact CB-CD2 4.28Å; V51-Y94 HydrophobicContact CB-CE1 4.48Å; V51-Y94 HydrophobicContact CB-CE2 3.81Å; V51-Y94 HydrophobicContact CG1-CE1 4.41Å; V51-Y94 HydrophobicContact CG1-CE2 4.18Å; V51-Y94 HydrophobicContact CG2-CE2 4.2Å; V51-Y94 PolarHBondContact N-O 3.03Å; V51-Y94 PolarHBondContact O-N 3.2Å; Y94-Q102 HydrophobicContact CD2-CB 4.49Å; Y94-Q102 HydrophobicContact CD2-CG 4.07Å; Y94-Q102 HydrophobicContact CE2-CG 4.35Å; Y94-S104 WeakPolarHBondContact CA-O 3.26Å; Y94-L105 HydrophobicContact CD1-CD1 4.1Å
95	N	78.4	Confident	76.6	Confident	14 Å²	14	62.1 Å²	62.1	8%	0.075	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	125.6	169.7	-70.9	-36.8	0	0	0	109.1	S47 R50 Y97 Q102 D103	S47-N95 WeakPolarHBondContact CB-OD1 3.37Å; S47-N95 PolarHBondContact OG-OD1 3.07Å; R50-N95 VanDerWaalsContact CD-OD1 3.27Å; R50-N95 WeakPolarHBondContact CD-OD1 3.49Å; N95-Y97 HydrophobicContact CB-CD2 4.36Å; N95-Y97 HydrophobicContact CB-CE2 3.68Å; N95-Y97 PolarHBondContact ND2-OH 3.38Å; N95-Q102 VanDerWaalsContact O-CA 3.24Å; N95-Q102 WeakPolarHBondContact O-CA 3.4Å; N95-D103 PolarHBondContact N-O 2.89Å; N95-D103 PolarHBondContact O-N 3.46Å
96	S	79.4	Confident	76.1	Confident	48 Å²	48	63 Å²	63	34%	0.336	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	100.2	173.3	-174.9	0	0	0	0	109.5	Y49	Y49-S96 PolarHBondContact O-N 3.06Å
97	Y	76.7	Confident	76.1	Confident	77 Å²	77	58.2 Å²	58.2	30%	0.302	33%	0.325	S	S	.	.			trans	-81.1	154.5	179.7	-62.7	-78.1	0	0	0	111.2	Y49 N95 N99 G100 T101 D103	Y49-Y97 HydrophobicContact CD2-CD1 4.21Å; Y49-Y97 HydrophobicContact CD2-CE1 4.25Å; Y49-Y97 HydrophobicContact CG-CD1 4.36Å; N95-Y97 HydrophobicContact CB-CD2 4.36Å; N95-Y97 HydrophobicContact CB-CE2 3.68Å; N95-Y97 PolarHBondContact ND2-OH 3.38Å; Y97-N99 PolarHBondContact O-N 3.29Å; Y97-G100 PolarHBondContact O-N 3.2Å; Y97-T101 WeakPolarHBondContact CD2-O 3.47Å; Y97-T101 PolarHBondContact N-O 3.31Å; Y97-T101 VanDerWaalsContact N-O 3.14Å; Y97-D103 HydrophobicContact CD2-CB 4.47Å; Y97-D103 HydrophobicContact CE2-CB 3.73Å
98	P	72.8	Confident	76.1	Confident	104 Å²	104	56.3 Å²	56.3	68%	0.675	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-24.8	179.6	-24.7	33	0	0	0	114.4	Y49 G100	Y49-P98 HydrophobicContact CE1-CG 4.02Å; P98-G100 PolarHBondContact O-N 3.49Å
99	N	74.5	Confident	76.2	Confident	148 Å²	148	53.3 Å²	53.3	79%	0.791	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	2.1	179.3	-61.3	4.2	0	0	0	113.3	Y97 T101	Y97-N99 PolarHBondContact O-N 3.29Å; N99-T101 VanDerWaalsContact C-N 3.25Å; N99-T101 PolarHBondContact O-N 3.07Å
100	G	67	Low	76.2	Confident	61 Å²	61	53.8 Å²	53.8	63%	0.629	31%	0.305	S	S	*	.	S	Bend	trans	80.7	-3.1	-177.5	0	0	0	0	0	114.6	Y97 P98	Y97-G100 PolarHBondContact O-N 3.2Å; P98-G100 PolarHBondContact O-N 3.49Å
101	T	73.6	Confident	76	Confident	81 Å²	81	55.9 Å²	55.9	50%	0.497	32%	0.316	S	S	.	.			trans	-74.6	127.3	175.8	51.1	0	0	0	0	110.4	Y97 N99	Y97-T101 WeakPolarHBondContact CD2-O 3.47Å; Y97-T101 PolarHBondContact N-O 3.31Å; Y97-T101 VanDerWaalsContact N-O 3.14Å; N99-T101 VanDerWaalsContact C-N 3.25Å; N99-T101 PolarHBondContact O-N 3.07Å
102	Q	65.9	Low	75.6	Confident	129 Å²	129	56.3 Å²	56.3	60%	0.603	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	131.4	171.6	-68.1	179.6	-11.9	0	0	109.7	Y94 N95	Y94-Q102 HydrophobicContact CD2-CB 4.49Å; Y94-Q102 HydrophobicContact CD2-CG 4.07Å; Y94-Q102 HydrophobicContact CE2-CG 4.35Å; N95-Q102 VanDerWaalsContact O-CA 3.24Å; N95-Q102 WeakPolarHBondContact O-CA 3.4Å
103	D	67.1	Low	75.4	Confident	99 Å²	99	57.8 Å²	57.8	53%	0.529	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	141.3	-176.6	-144.8	-1.4	0	0	0	111.2	N95 Y97	N95-D103 PolarHBondContact N-O 2.89Å; N95-D103 PolarHBondContact O-N 3.46Å; Y97-D103 HydrophobicContact CD2-CB 4.47Å; Y97-D103 HydrophobicContact CE2-CB 3.73Å
104	S	60	Low	75.2	Confident	57 Å²	57	58.3 Å²	58.3	40%	0.399	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.7	92.9	179.1	60.3	0	0	0	0	116.1	S93 Y94	S93-S104 VanDerWaalsContact O-O 3.06Å; Y94-S104 WeakPolarHBondContact CA-O 3.26Å
105	L	65.1	Low	75.1	Confident	71 Å²	71	58 Å²	58	37%	0.372	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	116.2	171.8	-164.9	79.2	0	0	0	110.2	P23 L92 S93 Y94 I107	P23-L105 WeakPolarHBondContact CB-O 3.32Å; P23-L105 HydrophobicContact CG-CB 4.41Å; P23-L105 WeakPolarHBondContact CG-O 3.26Å; L92-L105 HydrophobicContact CB-CD1 4.4Å; L92-L105 HydrophobicContact CD2-CD1 3.79Å; L92-L105 HydrophobicContact CD2-CD2 3.9Å; L92-L105 HydrophobicContact CD2-CG 4.01Å; S93-L105 CarbonylContact O-C 3.48Å; S93-L105 WeakPolarHBondContact O-CA 3.49Å; Y94-L105 HydrophobicContact CD1-CD1 4.1Å; L105-I107 HydrophobicContact CD2-CD1 3.74Å; L105-I107 HydrophobicContact CD2-CG1 3.81Å; L105-I107 HydrophobicContact CG-CG1 4.06Å
106	L	64.4	Low	75.2	Confident	62 Å²	62	59.1 Å²	59.1	33%	0.325	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117.5	168.2	-79.6	156.8	0	0	0	108.4	R50 S93 F108	R50-L106 VanDerWaalsContact NH2-CD1 3.3Å; S93-L106 PolarHBondContact N-O 3.32Å; S93-L106 PolarHBondContact O-N 3.39Å; S93-L106 WeakPolarHBondContact OG-CB 3.18Å; L106-F108 HydrophobicContact CB-CE2 4.24Å
107	I	73.6	Confident	75.3	Confident	43 Å²	43	62.8 Å²	62.8	22%	0.221	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116	177.4	-45.9	-175.7	0	0	0	108.3	P25 K26 C91 L92 L105 V109	P25-I107 CarbonylContact C-O 3.52Å; P25-I107 WeakPolarHBondContact CA-O 3.43Å; P25-I107 HydrophobicContact CB-CB 3.98Å; P25-I107 HydrophobicContact CB-CG2 3.96Å; K26-I107 PolarHBondContact N-O 2.91Å; C91-I107 WeakPolarHBondContact O-CA 3.37Å; L92-I107 HydrophobicContact CD2-CD1 3.98Å; L92-I107 HydrophobicContact CD2-CG1 3.73Å; L92-I107 HydrophobicContact CD2-CG2 4.44Å; L105-I107 HydrophobicContact CD2-CD1 3.74Å; L105-I107 HydrophobicContact CD2-CG1 3.81Å; L105-I107 HydrophobicContact CG-CG1 4.06Å; I107-V109 HydrophobicContact CG2-CG2 3.89Å
108	F	83.1	Confident	75.7	Confident	30 Å²	30	59.3 Å²	59.3	13%	0.132	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	134.9	165.6	-69.1	-89.2	0	0	0	108.5	K26 C42 S90 C91 L106 Y110	K26-F108 HydrophobicContact CB-CD1 3.92Å; K26-F108 HydrophobicContact CB-CE1 4.16Å; K26-F108 HydrophobicContact CD-CD1 4.38Å; K26-F108 HydrophobicContact CD-CE1 3.75Å; K26-F108 HydrophobicContact CD-CZ 4.31Å; C42-F108 WeakPolarHBondContact O-CE2 3.4Å; S90-F108 CarbonylContact C-O 3.51Å; S90-F108 WeakPolarHBondContact CA-O 3.35Å; S90-F108 VanDerWaalsContact CB-O 3.28Å; S90-F108 WeakPolarHBondContact CB-O 3.34Å; C91-F108 PolarHBondContact N-O 2.89Å; C91-F108 PolarHBondContact O-N 3Å; L106-F108 HydrophobicContact CB-CE2 4.24Å; F108-Y110 HydrophobicContact CB-CD2 4.41Å; F108-Y110 HydrophobicContact CB-CE2 3.62Å
109	V	86.2	Confident	76.3	Confident	14 Å²	14	58.8 Å²	58.8	9%	0.085	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.5	178.6	-175.7	0	0	0	0	108.1	P25 K26 H27 K28 I88 F89 I107	P25-V109 HydrophobicContact CB-CG2 3.79Å; K26-V109 PolarHBondContact O-N 3.14Å; H27-V109 CarbonylContact C-O 3.59Å; H27-V109 VanDerWaalsContact CA-O 3.3Å; H27-V109 WeakPolarHBondContact CA-O 3.46Å; K28-V109 PolarHBondContact N-O 3.3Å; I88-V109 HydrophobicContact CG2-CG1 3.34Å; F89-V109 CarbonylContact O-C 3.57Å; I107-V109 HydrophobicContact CG2-CG2 3.89Å
110	Y	88.4	Confident	76.8	Confident	12 Å²	12	53 Å²	53	5%	0.047	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.2	-175.3	-65.4	-77.8	0	0	0	109.9	K28 I30 L40 S41 W54 F89 F108	K28-Y110 HydrophobicContact CB-CD1 3.8Å; K28-Y110 HydrophobicContact CB-CE1 3.82Å; K28-Y110 HydrophobicContact CD-CD1 4.29Å; K28-Y110 HydrophobicContact CD-CE1 3.77Å; K28-Y110 HydrophobicContact CG-CD1 4.46Å; K28-Y110 HydrophobicContact CG-CE1 4.34Å; K28-Y110 WeakPolarHBondContact O-CA 3.18Å; I30-Y110 HydrophobicContact CD1-CD1 3.59Å; I30-Y110 HydrophobicContact CD1-CE1 4.12Å; I30-Y110 HydrophobicContact CD1-CG 4.49Å; I30-Y110 HydrophobicContact CG1-CD1 4.37Å; L40-Y110 HydrophobicContact CB-CD2 4.26Å; L40-Y110 HydrophobicContact CB-CE2 4.12Å; L40-Y110 HydrophobicContact CD1-CD2 4.01Å; L40-Y110 HydrophobicContact CD1-CG 4.04Å; L40-Y110 HydrophobicContact CD2-CD1 3.74Å; L40-Y110 HydrophobicContact CD2-CD2 4.3Å; L40-Y110 HydrophobicContact CD2-CE1 4.07Å; L40-Y110 HydrophobicContact CD2-CG 3.86Å; L40-Y110 HydrophobicContact CG-CD2 4.45Å; L40-Y110 HydrophobicContact CG-CG 4.42Å; S41-Y110 PolarHBondContact O-OH 3.04Å; W54-Y110 HydrophobicContact CH2-CD2 4.08Å; W54-Y110 AromaticContact CH2-CE2 3.83Å; W54-Y110 HydrophobicContact CH2-CE2 3.83Å; W54-Y110 AromaticContact CZ3-CD2 3.99Å; W54-Y110 HydrophobicContact CZ3-CD2 3.99Å; W54-Y110 HydrophobicContact CZ3-CE2 4.19Å; F89-Y110 PolarHBondContact N-O 3.14Å; F89-Y110 WeakPolarHBondContact O-CA 3.46Å; F89-Y110 WeakPolarHBondContact O-CB 3.22Å; F89-Y110 PolarHBondContact O-N 3.25Å; F108-Y110 HydrophobicContact CB-CD2 4.41Å; F108-Y110 HydrophobicContact CB-CE2 3.62Å
111	N	84.6	Confident	77.5	Confident	57 Å²	57	53 Å²	53	31%	0.305	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	141.3	171	-67.9	-8	0	0	0	108.4	K28 L29 I30 I88	K28-N111 PolarHBondContact O-N 3.35Å; L29-N111 CarbonylContact C-O 3.58Å; L29-N111 WeakPolarHBondContact CA-O 3.46Å; L29-N111 HydrophobicContact CD1-CB 3.72Å; I30-N111 PolarHBondContact N-O 3.22Å; I88-N111 WeakPolarHBondContact CG1-OD1 3.3Å
112	F	79.9	Confident	77.8	Confident	8 Å²	8	54 Å²	54	4%	0.035	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	140.1	-179.8	-74.8	-90.6	0	0	0	111.9	I30 V38 L40 F78 I80 F89	I30-F112 HydrophobicContact CB-CD1 3.97Å; I30-F112 HydrophobicContact CB-CE1 3.99Å; I30-F112 HydrophobicContact CD1-CE1 4.27Å; I30-F112 HydrophobicContact CD1-CZ 4.32Å; I30-F112 HydrophobicContact CG2-CD1 4.03Å; I30-F112 HydrophobicContact CG2-CE1 3.86Å; I30-F112 WeakPolarHBondContact O-CA 3.46Å; V38-F112 HydrophobicContact CG1-CE1 4.22Å; L40-F112 HydrophobicContact CD1-CE2 3.9Å; L40-F112 HydrophobicContact CD1-CZ 3.82Å; L40-F112 HydrophobicContact CD2-CE1 4.5Å; L40-F112 HydrophobicContact CD2-CE2 4.38Å; L40-F112 HydrophobicContact CD2-CZ 3.7Å; L40-F112 HydrophobicContact CG-CZ 4.1Å; F78-F112 HydrophobicContact CE1-CZ 4.24Å; F78-F112 HydrophobicContact CE2-CZ 4.3Å; F78-F112 HydrophobicContact CZ-CE1 4.39Å; F78-F112 AromaticContact CZ-CE2 3.73Å; F78-F112 HydrophobicContact CZ-CE2 3.73Å; F78-F112 AromaticContact CZ-CZ 3.53Å; F78-F112 HydrophobicContact CZ-CZ 3.53Å; I80-F112 HydrophobicContact CD1-CD1 4.01Å; I80-F112 HydrophobicContact CD1-CE1 4.03Å; I80-F112 HydrophobicContact CG1-CD1 4.33Å; I80-F112 HydrophobicContact CG1-CE1 4.23Å; F89-F112 AromaticContact CD2-CD2 3.61Å; F89-F112 HydrophobicContact CD2-CD2 3.61Å; F89-F112 AromaticContact CD2-CE2 3.38Å; F89-F112 HydrophobicContact CD2-CE2 3.38Å; F89-F112 AromaticContact CE2-CD2 3.91Å; F89-F112 HydrophobicContact CE2-CD2 3.91Å; F89-F112 AromaticContact CE2-CE2 3.84Å; F89-F112 HydrophobicContact CE2-CE2 3.84Å; F89-F112 HydrophobicContact CG-CE2 4.3Å
113	V	78.7	Confident	78.4	Confident	64 Å²	64	51.7 Å²	51.7	39%	0.388	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	94.4	163.8	-175.2	0	0	0	0	106.8	L29 I30 S31 A32 I115	L29-V113 HydrophobicContact CD1-CG2 3.77Å; L29-V113 HydrophobicContact CD2-CG2 4.28Å; L29-V113 HydrophobicContact CG-CG2 4.17Å; I30-V113 PolarHBondContact O-N 3.36Å; S31-V113 WeakPolarHBondContact CA-O 3.49Å; A32-V113 PolarHBondContact N-O 3.39Å; V113-I115 PolarHBondContact O-N 3.28Å
114	P	78.1	Confident	79.3	Confident	10 Å²	10	47.3 Å²	47.3	7%	0.065	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	124.2	175.9	-20.6	32.8	0	0	0	109.5	I34 I80 M82 A85 T144	I34-P114 HydrophobicContact CD1-CB 4.44Å; I34-P114 HydrophobicContact CG1-CB 3.89Å; I80-P114 HydrophobicContact CG2-CB 4.01Å; I80-P114 HydrophobicContact CG2-CG 4.31Å; M82-P114 HydrophobicContact SD-CB 4.22Å; A85-P114 HydrophobicContact CB-CG 3.84Å; P114-T144 WeakPolarHBondContact O-CG2 3.49Å
115	I	78.9	Confident	80.5	Confident	30 Å²	30	50.5 Å²	50.5	15%	0.154	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	118.4	179.9	-50.4	176.7	0	0	0	108.1	A32 P33 I34 V113 T144 L179	A32-I115 PolarHBondContact O-N 2.93Å; P33-I115 WeakPolarHBondContact CA-O 3.31Å; I34-I115 PolarHBondContact N-O 2.97Å; V113-I115 PolarHBondContact O-N 3.28Å; I115-T144 WeakPolarHBondContact CA-OG1 3.37Å; I115-T144 WeakPolarHBondContact CG2-OG1 3.3Å; I115-L179 HydrophobicContact CB-CD1 3.62Å; I115-L179 HydrophobicContact CB-CG 4.4Å; I115-L179 HydrophobicContact CG2-CD1 3.24Å; I115-L179 HydrophobicContact CG2-CD2 4.46Å; I115-L179 HydrophobicContact CG2-CG 3.63Å; I115-L179 WeakPolarHBondContact O-CD1 3.4Å
116	V	82.2	Confident	81.6	Confident	37 Å²	37	52.5 Å²	52.5	22%	0.224	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-89	130.6	172.8	-171.8	0	0	0	0	108.6	I34 M82 F119 T144 N177	I34-V116 HydrophobicContact CD1-CB 4.27Å; I34-V116 HydrophobicContact CD1-CG2 3.47Å; I34-V116 VanDerWaalsContact CD1-CG2 3.47Å; M82-V116 HydrophobicContact SD-CG2 3.98Å; V116-F119 HydrophobicContact CG1-CD1 4.11Å; V116-F119 HydrophobicContact CG1-CE1 3.85Å; V116-T144 HydrophobicContact CB-CG2 4.1Å; V116-T144 HydrophobicContact CG2-CG2 4.01Å; V116-T144 PolarHBondContact N-OG1 3.31Å; V116-T144 PolarHBondContact O-N 2.71Å; V116-T144 PolarHBondContact O-OG1 3.12Å; V116-N177 PolarHBondContact O-ND2 3.47Å
117	K	80.7	Confident	82.6	Confident	124 Å²	124	52 Å²	52	54%	0.539	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-60.1	146.8	173.6	-54.6	-161	169.6	180	0	110.7	F119 L179	K117-F119 WeakPolarHBondContact O-CD1 3.34Å; K117-F119 PolarHBondContact O-N 3.05Å; K117-L179 HydrophobicContact CB-CB 4.23Å; K117-L179 HydrophobicContact CD-CB 4.32Å; K117-L179 HydrophobicContact CG-CB 3.72Å; K117-L179 HydrophobicContact CG-CD1 4.06Å
118	A	85.3	Confident	83	Confident	4 Å²	4	54 Å²	54	3%	0.033	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-52.8	132.6	169.7	0	0	0	0	0	111.5	G142 V175 N177 G180 V182	A118-G142 CarbonylContact C-O 3.51Å; A118-G142 WeakPolarHBondContact CA-O 3.48Å; A118-V175 HydrophobicContact CB-CB 4.46Å; A118-V175 HydrophobicContact CB-CG1 4.2Å; A118-V175 HydrophobicContact CB-CG2 3.8Å; A118-N177 HydrophobicContact CB-CB 4.37Å; A118-N177 PolarHBondContact N-ND2 3Å; A118-N177 PolarHBondContact N-OD1 3.03Å; A118-N177 VanDerWaalsContact N-OD1 3.08Å; A118-G180 WeakPolarHBondContact CB-O 3.31Å; A118-V182 VanDerWaalsContact O-CG2 3.28Å; A118-V182 WeakPolarHBondContact O-CG2 3.32Å
119	F	85.6	Confident	83.1	Confident	93 Å²	93	53.8 Å²	53.8	41%	0.408	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	156.6	176.3	69.6	-90.8	0	0	0	112	V116 K117 A121 G142	V116-F119 HydrophobicContact CG1-CD1 4.11Å; V116-F119 HydrophobicContact CG1-CE1 3.85Å; K117-F119 WeakPolarHBondContact O-CD1 3.34Å; K117-F119 PolarHBondContact O-N 3.05Å; F119-A121 HydrophobicContact CE2-CB 4.26Å; F119-G142 PolarHBondContact N-O 2.8Å; F119-G142 PolarHBondContact O-N 3.21Å
120	L	84.6	Confident	82.7	Confident	27 Å²	27	54.4 Å²	54.4	14%	0.141	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.6	170.3	-72.4	166.8	0	0	0	108.7	F141 C173 V175 V182 D184	L120-F141 HydrophobicContact CD2-CD1 3.66Å; L120-F141 HydrophobicContact CD2-CE1 3.84Å; L120-C173 HydrophobicContact CD1-CB 4.17Å; L120-C173 HydrophobicContact CD2-CB 3.79Å; L120-V175 HydrophobicContact CD2-CG1 4.26Å; L120-V175 HydrophobicContact CG-CG1 4.14Å; L120-V182 HydrophobicContact CB-CG1 4.39Å; L120-V182 HydrophobicContact CD1-CG1 3.94Å; L120-V182 HydrophobicContact CG-CG1 4.1Å; L120-D184 HydrophobicContact CD1-CB 3.56Å
121	A	81.2	Confident	82.5	Confident	60 Å²	60	56 Å²	56	50%	0.496	30%	0.3	S	S	.	.	S	Bend	trans	-76.2	-30.3	179.5	0	0	0	0	0	112.3	F119 I140	F119-A121 HydrophobicContact CE2-CB 4.26Å; A121-I140 HydrophobicContact CB-CB 3.96Å; A121-I140 HydrophobicContact CB-CG2 3.74Å; A121-I140 PolarHBondContact N-O 3.34Å
122	E	80.3	Confident	82.4	Confident	104 Å²	104	53.6 Å²	53.6	49%	0.486	29%	0.288	S	S	.	.	S	Bend	trans	-123.9	138.1	173.7	-72.1	-175.2	-177.5	0	0	110.2	I140	E122-I140 HydrophobicContact CG-CD1 4.1Å
123	T	78.6	Confident	82.5	Confident	80 Å²	80	54.5 Å²	54.5	49%	0.491	30%	0.295	S	S	.	.			trans	-82.5	143.1	172.8	48.4	0	0	0	0	110.5	H125 D184	T123-H125 PolarHBondContact OG1-CE1 3.14Å; T123-H125 PolarHBondContact OG1-NE2 2.87Å; T123-D184 WeakPolarHBondContact CA-OD2 3.43Å; T123-D184 VanDerWaalsContact CB-OD2 3.23Å; T123-D184 WeakPolarHBondContact CB-OD2 2.97Å
124	V	85.3	Confident	83	Confident	7 Å²	7	55.9 Å²	55.9	4%	0.042	30%	0.3	C	S	.	.			trans	-78.5	135.3	177.1	-144.3	0	0	0	0	108.5	P138 V171 C173 D184 A186	V124-P138 HydrophobicContact CG1-CG 3.73Å; V124-V171 HydrophobicContact CG1-CG2 3.91Å; V124-C173 HydrophobicContact CG2-CB 4.01Å; V124-C173 WeakPolarHBondContact CG2-SG 3.28Å; V124-D184 HydrophobicContact CG2-CB 3.87Å; V124-D184 PolarHBondContact N-OD2 2.95Å; V124-A186 HydrophobicContact CB-CB 3.72Å; V124-A186 HydrophobicContact CG1-CB 3.57Å
125	H	85.1	Confident	83.5	Confident	124 Å²	124	56.5 Å²	56.5	57%	0.574	30%	0.301	S	S	*	.			trans	-118.8	144.7	-179.2	-63	-45.7	0	0	0	111.2	T123 T127 A186	T123-H125 PolarHBondContact OG1-CE1 3.14Å; T123-H125 PolarHBondContact OG1-NE2 2.87Å; H125-T127 PolarHBondContact O-N 2.95Å; H125-A186 VanDerWaalsContact C-CB 3.42Å; H125-A186 WeakPolarHBondContact O-CB 3.13Å
126	N	88.3	Confident	84	Confident	113 Å²	113	62.3 Å²	62.3	60%	0.604	32%	0.321	S	S	*	.			trans	-59.3	129.8	173.5	-67.6	-13.9	0	0	0	109.4	A186 Y187	N126-A186 WeakPolarHBondContact OD1-CA 3.48Å; N126-Y187 VanDerWaalsContact CA-O 3.29Å; N126-Y187 WeakPolarHBondContact CA-O 3.39Å; N126-Y187 PolarHBondContact OD1-N 2.84Å
127	T	85.5	Confident	84.2	Confident	50 Å²	50	60.8 Å²	60.8	31%	0.307	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	150.4	-177.8	50	0	0	0	0	110.4	H125 Y187 I188 T189	H125-T127 PolarHBondContact O-N 2.95Å; T127-Y187 PolarHBondContact N-O 2.98Å; T127-I188 WeakPolarHBondContact O-CA 3.28Å; T127-T189 PolarHBondContact O-N 2.71Å
128	T	82.9	Confident	84.4	Confident	87 Å²	87	56.5 Å²	56.5	53%	0.534	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.3	172.4	58.2	0	0	0	0	109.2	T189	T128-T189 CarbonylContact C-O 3.52Å; T128-T189 VanDerWaalsContact CA-O 3.29Å; T128-T189 WeakPolarHBondContact CA-O 3.14Å
129	V	85.1	Confident	84.5	Confident	24 Å²	24	56.8 Å²	56.8	15%	0.145	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	158.2	-174.4	-55.1	0	0	0	0	110.6	S133 I165 I188 T189 V190 R191	V129-S133 VanDerWaalsContact CB-OG 3.32Å; V129-S133 WeakPolarHBondContact CB-OG 3.45Å; V129-S133 WeakPolarHBondContact CG2-OG 3.34Å; V129-I165 HydrophobicContact CG2-CB 3.92Å; V129-I165 HydrophobicContact CG2-CG1 4.26Å; V129-I165 HydrophobicContact CG2-CG2 3.84Å; V129-I188 HydrophobicContact CB-CG2 4.32Å; V129-I188 HydrophobicContact CG1-CG2 4.05Å; V129-I188 HydrophobicContact CG2-CG2 3.37Å; V129-T189 PolarHBondContact N-O 2.87Å; V129-V190 CarbonylContact O-C 3.59Å; V129-V190 WeakPolarHBondContact O-CA 3.4Å; V129-R191 PolarHBondContact O-N 3.22Å
130	D	77.5	Confident	84.5	Confident	27 Å²	27	56.3 Å²	56.3	14%	0.144	30%	0.299	C	S	.	.			trans	-76.1	151	175.6	-67.6	-57.3	0	0	0	111.3	G132 S133 R191 Y209	D130-G132 PolarHBondContact O-N 3.2Å; D130-S133 VanDerWaalsContact O-CB 3.28Å; D130-S133 WeakPolarHBondContact O-CB 3.25Å; D130-S133 PolarHBondContact O-N 3.04Å; D130-S133 VanDerWaalsContact O-N 3.08Å; D130-S133 PolarHBondContact O-OG 2.99Å; D130-R191 IonicContact OD1-CZ 3.33Å; D130-R191 IonicContact OD1-NE 2.6Å; D130-R191 IonicContact OD1-NH1 3.94Å; D130-R191 PolarHBondContact OD1-NH1 2.9Å; D130-R191 IonicContact OD2-CZ 3.81Å; D130-R191 IonicContact OD2-NH1 2.66Å; D130-R191 PolarHBondContact OD2-NH1 3.28Å; D130-Y209 VanDerWaalsContact OD2-CE2 3.3Å; D130-Y209 WeakPolarHBondContact OD2-CE2 3.38Å
131	W	83.3	Confident	84.7	Confident	46 Å²	46	57.1 Å²	57.1	17%	0.174	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	126.7	174.2	-178.9	85.2	0	0	0	111.3	S133 T166 V190 S194 K195 L199	W131-S133 VanDerWaalsContact C-N 3.34Å; W131-T166 HydrophobicContact CZ2-CG2 4.45Å; W131-T166 PolarHBondContact NE1-O 2.98Å; W131-V190 HydrophobicContact CB-CG1 3.75Å; W131-V190 HydrophobicContact CG-CG1 4.47Å; W131-S194 VanDerWaalsContact CB-OG 3.26Å; W131-S194 WeakPolarHBondContact CB-OG 3.43Å; W131-S194 PolarHBondContact N-OG 3.21Å; W131-K195 HydrophobicContact CB-CB 3.99Å; W131-K195 HydrophobicContact CD2-CB 4.07Å; W131-K195 HydrophobicContact CD2-CG 3.95Å; W131-K195 HydrophobicContact CG-CB 3.64Å; W131-K195 HydrophobicContact CG-CG 3.94Å; W131-K195 HydrophobicContact CZ2-CG 4.49Å; W131-L199 HydrophobicContact CH2-CD2 3.68Å; W131-L199 HydrophobicContact CH2-CG 4.06Å; W131-L199 HydrophobicContact CZ2-CD2 4.27Å; W131-L199 HydrophobicContact CZ3-CD2 4.21Å; W131-L199 HydrophobicContact CZ3-CG 4.21Å
132	G	83.6	Confident	84.9	Confident	6 Å²	6	54.7 Å²	54.7	6%	0.062	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	2.6	-179.5	0	0	0	0	0	114.7	D130 I165	D130-G132 PolarHBondContact O-N 3.2Å; G132-I165 PolarHBondContact N-O 3.35Å
133	S	82.7	Confident	85	Confident	27 Å²	27	50.7 Å²	50.7	19%	0.189	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	146.4	176.8	60	0	0	0	0	112.4	V129 D130 W131 Y135 N164 I165	V129-S133 VanDerWaalsContact CB-OG 3.32Å; V129-S133 WeakPolarHBondContact CB-OG 3.45Å; V129-S133 WeakPolarHBondContact CG2-OG 3.34Å; D130-S133 VanDerWaalsContact O-CB 3.28Å; D130-S133 WeakPolarHBondContact O-CB 3.25Å; D130-S133 PolarHBondContact O-N 3.04Å; D130-S133 VanDerWaalsContact O-N 3.08Å; D130-S133 PolarHBondContact O-OG 2.99Å; W131-S133 VanDerWaalsContact C-N 3.34Å; S133-Y135 PolarHBondContact O-N 2.95Å; S133-N164 WeakPolarHBondContact O-CA 3.28Å; S133-I165 PolarHBondContact O-N 2.99Å
134	I	87.9	Confident	85	Confident	93 Å²	93	48.4 Å²	48.4	48%	0.477	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	110.8	174.5	-60.7	166.2	0	0	0	108.4	E162 N164	I134-E162 HydrophobicContact CG2-CB 3.69Å; I134-E162 HydrophobicContact CG2-CG 4.09Å; I134-N164 WeakPolarHBondContact CG1-OD1 3.27Å
135	Y	89	Confident	84.3	Confident	23 Å²	23	53.5 Å²	53.5	9%	0.09	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	130.7	170	-179.5	-97.1	0	0	0	110	S133 F137 P138 E162 H163 I165 V171 I188	S133-Y135 PolarHBondContact O-N 2.95Å; Y135-F137 HydrophobicContact CD1-CD2 4.41Å; Y135-F137 HydrophobicContact CE1-CD2 4.48Å; Y135-F137 HydrophobicContact CE1-CG 4.44Å; Y135-P138 VanDerWaalsContact OH-CD 3.26Å; Y135-P138 WeakPolarHBondContact OH-CD 3.48Å; Y135-E162 CarbonylContact O-C 3.52Å; Y135-E162 WeakPolarHBondContact O-CA 3.42Å; Y135-H163 PolarHBondContact N-O 3.34Å; Y135-H163 PolarHBondContact O-N 3.18Å; Y135-I165 HydrophobicContact CG-CG1 4.48Å; Y135-V171 HydrophobicContact CD1-CG1 4.25Å; Y135-V171 HydrophobicContact CE1-CB 4.4Å; Y135-V171 HydrophobicContact CE1-CG1 3.9Å; Y135-V171 HydrophobicContact CE1-CG2 4.17Å; Y135-I188 HydrophobicContact CD1-CD1 3.43Å; Y135-I188 VanDerWaalsContact CD1-CD1 3.43Å; Y135-I188 HydrophobicContact CD2-CD1 3.6Å; Y135-I188 HydrophobicContact CD2-CG1 4.35Å; Y135-I188 HydrophobicContact CE1-CD1 3.57Å; Y135-I188 HydrophobicContact CE2-CD1 3.73Å; Y135-I188 HydrophobicContact CE2-CG1 4.18Å; Y135-I188 HydrophobicContact CG-CD1 3.44Å; Y135-I188 VanDerWaalsContact CG-CD1 3.44Å
136	R	90.3	Very high	83.9	Confident	152 Å²	152	53.5 Å²	53.5	57%	0.574	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.4	174.2	-171.4	173.4	-179.9	138.9	-9.5	109.1	P138 M161 E162	R136-P138 WeakPolarHBondContact O-CD 3.46Å; R136-M161 CarbonylContact C-O 3.51Å; R136-M161 VanDerWaalsContact CA-O 3.25Å; R136-M161 WeakPolarHBondContact CA-O 3.5Å; R136-M161 HydrophobicContact CG-CB 4.28Å; R136-E162 HydrophobicContact CB-CG 4.04Å; R136-E162 HydrophobicContact CG-CG 3.9Å; R136-E162 IonicContact CZ-OE1 3.09Å; R136-E162 IonicContact NE-OE1 2.97Å; R136-E162 IonicContact NH1-OE1 2.73Å; R136-E162 PolarHBondContact NH1-OE1 3.19Å
137	F	86.3	Confident	83.6	Confident	5 Å²	5	52.4 Å²	52.4	2%	0.022	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-57.5	123	175.4	-85.6	-99.3	0	0	0	110	Y135 C139 M151 L153 V158 M161 H163 V171	Y135-F137 HydrophobicContact CD1-CD2 4.41Å; Y135-F137 HydrophobicContact CE1-CD2 4.48Å; Y135-F137 HydrophobicContact CE1-CG 4.44Å; F137-C139 VanDerWaalsContact CD1-SG 3.53Å; F137-C139 PolarHBondContact O-N 3.14Å; F137-M151 HydrophobicContact CB-SD 3.69Å; F137-M151 HydrophobicContact CD1-CB 4.07Å; F137-M151 HydrophobicContact CD1-CG 4.26Å; F137-M151 HydrophobicContact CD1-SD 4.24Å; F137-M151 HydrophobicContact CE1-CB 4.08Å; F137-M151 HydrophobicContact CG-SD 3.92Å; F137-L153 HydrophobicContact CE2-CB 4.39Å; F137-L153 HydrophobicContact CZ-CB 3.91Å; F137-L153 HydrophobicContact CZ-CD1 4.29Å; F137-V158 HydrophobicContact CE2-CG2 3.88Å; F137-V158 HydrophobicContact CZ-CG2 3.84Å; F137-M161 WeakPolarHBondContact CD2-O 3.3Å; F137-M161 PolarHBondContact N-O 2.98Å; F137-H163 AromaticContact CE2-ND1 3.68Å; F137-V171 HydrophobicContact CD1-CB 4.31Å; F137-V171 HydrophobicContact CD1-CG1 4.46Å; F137-V171 HydrophobicContact CE1-CB 3.66Å; F137-V171 HydrophobicContact CE1-CG1 3.73Å; F137-V171 HydrophobicContact CE2-CG1 4.16Å; F137-V171 HydrophobicContact CZ-CB 4.01Å; F137-V171 HydrophobicContact CZ-CG1 3.54Å
138	P	85.2	Confident	83.8	Confident	35 Å²	35	54.6 Å²	54.6	23%	0.227	29%	0.29	C	S	.	.			trans	-80.7	15.5	177	35.6	-36.9	0	0	0	112	V124 Y135 R136 I140	V124-P138 HydrophobicContact CG1-CG 3.73Å; Y135-P138 VanDerWaalsContact OH-CD 3.26Å; Y135-P138 WeakPolarHBondContact OH-CD 3.48Å; R136-P138 WeakPolarHBondContact O-CD 3.46Å; P138-I140 PolarHBondContact O-N 3.41Å
139	C	85.8	Confident	84.1	Confident	9 Å²	9	53.2 Å²	53.2	6%	0.061	28%	0.279	C	S	.	.			trans	-68	103.3	-177.2	-46.6	0	0	0	0	110.5	F137 F141 M151 C173	F137-C139 VanDerWaalsContact CD1-SG 3.53Å; F137-C139 PolarHBondContact O-N 3.14Å; C139-F141 HydrophobicContact CB-CD1 4.5Å; C139-F141 HydrophobicContact CB-CE1 3.75Å; C139-F141 HydrophobicContact CB-CE2 3.98Å; C139-F141 HydrophobicContact CB-CZ 3.45Å; C139-F141 VanDerWaalsContact CB-CZ 3.45Å; C139-M151 HydrophobicContact CB-CG 4.26Å; C139-M151 HydrophobicContact CB-SD 4.39Å; C139-C173 WeakPolarHBondContact CA-SG 3.39Å; C139-C173 HydrophobicContact CB-CB 3.66Å; C139-C173 WeakPolarHBondContact CB-SG 3.49Å; C139-C173 VanDerWaalsContact SG-CA 3.54Å; C139-C173 WeakPolarHBondContact SG-CB 3.37Å; C139-C173 CovalentContact SG-SG 2Å; C139-C173 PolarHBondContact SG-SG 3.28Å
140	I	87.1	Confident	84.5	Confident	84 Å²	84	53 Å²	53	43%	0.431	28%	0.278	S	S	.	.			trans	-106.3	108.9	169	-57.5	176.2	0	0	0	107.6	A121 E122 P138	A121-I140 HydrophobicContact CB-CB 3.96Å; A121-I140 HydrophobicContact CB-CG2 3.74Å; A121-I140 PolarHBondContact N-O 3.34Å; E122-I140 HydrophobicContact CG-CD1 4.1Å; P138-I140 PolarHBondContact O-N 3.41Å
141	F	88.8	Confident	85.1	Confident	43 Å²	43	52.6 Å²	52.6	19%	0.189	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	138.3	-177.4	-51.2	-63.9	0	0	0	111.3	L120 C139 D149 M151 C173 V175	L120-F141 HydrophobicContact CD2-CD1 3.66Å; L120-F141 HydrophobicContact CD2-CE1 3.84Å; C139-F141 HydrophobicContact CB-CD1 4.5Å; C139-F141 HydrophobicContact CB-CE1 3.75Å; C139-F141 HydrophobicContact CB-CE2 3.98Å; C139-F141 HydrophobicContact CB-CZ 3.45Å; C139-F141 VanDerWaalsContact CB-CZ 3.45Å; F141-D149 HydrophobicContact CB-CB 4.47Å; F141-D149 WeakPolarHBondContact CB-OD1 3.08Å; F141-D149 HydrophobicContact CD1-CB 4.49Å; F141-D149 HydrophobicContact CD2-CB 3.49Å; F141-D149 VanDerWaalsContact CD2-CB 3.49Å; F141-D149 VanDerWaalsContact CD2-CG 3.47Å; F141-D149 HydrophobicContact CE2-CB 3.71Å; F141-D149 HydrophobicContact CG-CB 3.91Å; F141-D149 HydrophobicContact CZ-CB 4.26Å; F141-M151 HydrophobicContact CE2-CG 4.31Å; F141-M151 HydrophobicContact CZ-CG 3.88Å; F141-C173 HydrophobicContact CE1-CB 4.36Å; F141-V175 HydrophobicContact CB-CB 4.42Å; F141-V175 HydrophobicContact CB-CG2 4.23Å; F141-V175 HydrophobicContact CD1-CB 3.68Å; F141-V175 HydrophobicContact CD1-CG1 4.19Å; F141-V175 HydrophobicContact CD1-CG2 4.37Å; F141-V175 HydrophobicContact CE1-CB 4.34Å; F141-V175 HydrophobicContact CG-CB 4.37Å
142	G	84.6	Confident	85.6	Confident	10 Å²	10	51.7 Å²	51.7	10%	0.103	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	163.4	174.8	0	0	0	0	0	111.7	A118 F119	A118-G142 CarbonylContact C-O 3.51Å; A118-G142 WeakPolarHBondContact CA-O 3.48Å; F119-G142 PolarHBondContact N-O 2.8Å; F119-G142 PolarHBondContact O-N 3.21Å
143	G	83	Confident	86	Confident	20 Å²	20	52.4 Å²	52.4	21%	0.206	28%	0.276	C	S	.	.	S	Bend	trans	130.6	177.8	-173.2	0	0	0	0	0	111
144	T	78.2	Confident	86.4	Confident	32 Å²	32	53.5 Å²	53.5	20%	0.196	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-96.2	148.6	174.1	36.1	0	0	0	0	111.9	P114 I115 V116 N177	P114-T144 WeakPolarHBondContact O-CG2 3.49Å; I115-T144 WeakPolarHBondContact CA-OG1 3.37Å; I115-T144 WeakPolarHBondContact CG2-OG1 3.3Å; V116-T144 HydrophobicContact CB-CG2 4.1Å; V116-T144 HydrophobicContact CG2-CG2 4.01Å; V116-T144 PolarHBondContact N-OG1 3.31Å; V116-T144 PolarHBondContact O-N 2.71Å; V116-T144 PolarHBondContact O-OG1 3.12Å; T144-N177 PolarHBondContact O-ND2 3.16Å
145	D	69.5	Low	86.3	Confident	114 Å²	114	55.3 Å²	55.3	61%	0.61	29%	0.291	S	S	*	.	S	Bend	trans	-81.6	147.8	179.4	-70.9	-33.9	0	0	0	112.3	R147	D145-R147 VanDerWaalsContact OD1-CG 3.29Å; D145-R147 WeakPolarHBondContact OD1-CG 3.36Å; D145-R147 IonicContact OD1-CZ 3.46Å; D145-R147 IonicContact OD1-NE 3.07Å; D145-R147 IonicContact OD1-NH1 3.64Å; D145-R147 PolarHBondContact OD1-NH1 2.81Å; D145-R147 IonicContact OD2-NH1 2.89Å; D145-R147 PolarHBondContact OD2-NH1 3.24Å; D145-R147 VanDerWaalsContact OD2-NH1 3.12Å
146	P	76.9	Confident	86.3	Confident	123 Å²	123	60.9 Å²	60.9	80%	0.799	32%	0.318	S	S	*	.	S	Bend	cis	-77.8	132.6	2.9	30.4	-33	0	0	0	112.8
147	R	83.5	Confident	86.4	Confident	90 Å²	90	59.8 Å²	59.8	34%	0.34	32%	0.322	S	S	.	.			trans	-123.7	154.2	175	72.8	-171.9	179.6	-105.1	5.4	111.2	D145 D149 Q176 N177	D145-R147 VanDerWaalsContact OD1-CG 3.29Å; D145-R147 WeakPolarHBondContact OD1-CG 3.36Å; D145-R147 IonicContact OD1-CZ 3.46Å; D145-R147 IonicContact OD1-NE 3.07Å; D145-R147 IonicContact OD1-NH1 3.64Å; D145-R147 PolarHBondContact OD1-NH1 2.81Å; D145-R147 IonicContact OD2-NH1 2.89Å; D145-R147 PolarHBondContact OD2-NH1 3.24Å; D145-R147 VanDerWaalsContact OD2-NH1 3.12Å; R147-D149 WeakPolarHBondContact CD-OD1 3.36Å; R147-D149 WeakPolarHBondContact CG-OD1 3.48Å; R147-D149 IonicContact CZ-OD2 2.63Å; R147-D149 IonicContact NE-OD1 3.85Å; R147-D149 PolarHBondContact NE-OD1 3.08Å; R147-D149 IonicContact NE-OD2 2.7Å; R147-D149 PolarHBondContact NE-OD2 3.31Å; R147-D149 IonicContact NH2-OD2 3.25Å; R147-Q176 CarbonylContact C-O 3.58Å; R147-Q176 WeakPolarHBondContact CA-O 3.34Å; R147-N177 HydrophobicContact CB-CB 4.25Å
148	D	88.3	Confident	86.6	Confident	97 Å²	97	60.6 Å²	60.6	52%	0.519	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	105.6	175.6	-170.3	17.5	0	0	0	109.4	V175 Q176	D148-V175 WeakPolarHBondContact O-CA 3.17Å; D148-Q176 PolarHBondContact N-O 3.18Å; D148-Q176 PolarHBondContact O-N 3.14Å
149	D	90.6	Very high	86.7	Confident	57 Å²	57	65.3 Å²	65.3	31%	0.305	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.2	-175.9	-70	-10.2	0	0	0	108.5	F141 R147 V175	F141-D149 HydrophobicContact CB-CB 4.47Å; F141-D149 WeakPolarHBondContact CB-OD1 3.08Å; F141-D149 HydrophobicContact CD1-CB 4.49Å; F141-D149 HydrophobicContact CD2-CB 3.49Å; F141-D149 VanDerWaalsContact CD2-CB 3.49Å; F141-D149 VanDerWaalsContact CD2-CG 3.47Å; F141-D149 HydrophobicContact CE2-CB 3.71Å; F141-D149 HydrophobicContact CG-CB 3.91Å; F141-D149 HydrophobicContact CZ-CB 4.26Å; R147-D149 WeakPolarHBondContact CD-OD1 3.36Å; R147-D149 WeakPolarHBondContact CG-OD1 3.48Å; R147-D149 IonicContact CZ-OD2 2.63Å; R147-D149 IonicContact NE-OD1 3.85Å; R147-D149 PolarHBondContact NE-OD1 3.08Å; R147-D149 IonicContact NE-OD2 2.7Å; R147-D149 PolarHBondContact NE-OD2 3.31Å; R147-D149 IonicContact NH2-OD2 3.25Å; D149-V175 WeakPolarHBondContact OD1-CG2 3.48Å
150	T	91.6	Very high	86.9	Confident	21 Å²	21	71 Å²	71	13%	0.129	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.1	-172.5	53.2	0	0	0	0	111.6	K174	T150-K174 PolarHBondContact N-O 3.27Å; T150-K174 PolarHBondContact O-N 3.14Å; T150-K174 VanDerWaalsContact O-O 3.1Å; T150-K174 VanDerWaalsContact OG1-CB 3.26Å; T150-K174 WeakPolarHBondContact OG1-CB 3.3Å; T150-K174 WeakPolarHBondContact OG1-CG 3.16Å; T150-K174 PolarHBondContact OG1-O 2.98Å
151	M	92	Very high	86.9	Confident	17 Å²	17	71.6 Å²	71.6	8%	0.084	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.4	172.4	-61.1	-178.5	-66.5	0	0	108.8	F137 C139 F141 I157 V158 E160 M161	F137-M151 HydrophobicContact CB-SD 3.69Å; F137-M151 HydrophobicContact CD1-CB 4.07Å; F137-M151 HydrophobicContact CD1-CG 4.26Å; F137-M151 HydrophobicContact CD1-SD 4.24Å; F137-M151 HydrophobicContact CE1-CB 4.08Å; F137-M151 HydrophobicContact CG-SD 3.92Å; C139-M151 HydrophobicContact CB-CG 4.26Å; C139-M151 HydrophobicContact CB-SD 4.39Å; F141-M151 HydrophobicContact CE2-CG 4.31Å; F141-M151 HydrophobicContact CZ-CG 3.88Å; M151-I157 CarbonylContact O-C 3.58Å; M151-I157 WeakPolarHBondContact O-CA 3.29Å; M151-V158 HydrophobicContact CB-CG2 3.83Å; M151-V158 PolarHBondContact O-N 2.81Å; M151-E160 WeakPolarHBondContact CE-O 3.47Å; M151-M161 HydrophobicContact CE-CG 4.12Å; M151-M161 HydrophobicContact SD-CG 4.17Å
152	I	93.5	Very high	87.1	Confident	27 Å²	27	73.9 Å²	73.9	14%	0.138	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	125.4	-176.5	-61.3	168	0	0	0	108.9	Q156 I157 V171 E172	I152-Q156 CarbonylContact C-O 3.43Å; I152-Q156 VanDerWaalsContact CA-O 3.28Å; I152-Q156 WeakPolarHBondContact CA-O 3.39Å; I152-I157 HydrophobicContact CG1-CG1 4.12Å; I152-V171 CarbonylContact O-C 3.48Å; I152-V171 WeakPolarHBondContact O-CA 3.39Å; I152-E172 HydrophobicContact CB-CB 4.08Å; I152-E172 HydrophobicContact CD1-CG 4.38Å; I152-E172 WeakPolarHBondContact CD1-OE2 3.26Å; I152-E172 PolarHBondContact N-O 2.9Å; I152-E172 PolarHBondContact O-N 3.49Å
153	L	91.9	Very high	87.4	Confident	21 Å²	21	75 Å²	75	11%	0.11	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121.3	171.3	-175.5	65.2	0	0	0	108.5	F137 N155 Q156 V158 H163 I165 I170 V171	F137-L153 HydrophobicContact CE2-CB 4.39Å; F137-L153 HydrophobicContact CZ-CB 3.91Å; F137-L153 HydrophobicContact CZ-CD1 4.29Å; L153-N155 VanDerWaalsContact C-N 3.28Å; L153-N155 PolarHBondContact O-N 3.33Å; L153-Q156 PolarHBondContact N-O 3.34Å; L153-Q156 WeakPolarHBondContact O-CB 3.32Å; L153-Q156 PolarHBondContact O-N 3.18Å; L153-V158 HydrophobicContact CB-CG1 3.9Å; L153-V158 HydrophobicContact CB-CG2 4.3Å; L153-H163 HydrophobicContact CD2-CB 3.82Å; L153-I165 HydrophobicContact CD1-CD1 4.25Å; L153-I170 WeakPolarHBondContact CA-O 3.45Å; L153-V171 HydrophobicContact CD1-CG1 3.51Å
154	N	90.2	Very high	87.7	Confident	51 Å²	51	78.9 Å²	78.9	27%	0.273	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	46.6	177.5	-62.7	-22.3	0	0	0	113	Q156 S169 I170	N154-Q156 PolarHBondContact O-N 3.12Å; N154-S169 PolarHBondContact ND2-OG 2.68Å; N154-S169 WeakPolarHBondContact OD1-CA 3.18Å; N154-S169 WeakPolarHBondContact OD1-CB 3.13Å; N154-I170 PolarHBondContact N-O 3.13Å; N154-I170 PolarHBondContact OD1-N 3.27Å
155	N	86.3	Confident	88.3	Confident	131 Å²	131	77.4 Å²	77.4	70%	0.701	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	20.4	-176.1	-66.4	56.8	0	0	0	115.1	L153	L153-N155 VanDerWaalsContact C-N 3.28Å; L153-N155 PolarHBondContact O-N 3.33Å
156	Q	89.1	Confident	89.1	Confident	140 Å²	140	75.3 Å²	75.3	65%	0.654	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	129	172.7	-59.4	-174.9	14.3	0	0	109.9	I152 L153 N154 V158	I152-Q156 CarbonylContact C-O 3.43Å; I152-Q156 VanDerWaalsContact CA-O 3.28Å; I152-Q156 WeakPolarHBondContact CA-O 3.39Å; L153-Q156 PolarHBondContact N-O 3.34Å; L153-Q156 WeakPolarHBondContact O-CB 3.32Å; L153-Q156 PolarHBondContact O-N 3.18Å; N154-Q156 PolarHBondContact O-N 3.12Å; Q156-V158 PolarHBondContact O-N 3.19Å
157	I	91.3	Very high	89.6	Confident	129 Å²	129	75.3 Å²	75.3	66%	0.662	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	125.4	174.3	-60.9	170.4	0	0	0	107.9	M151 I152	M151-I157 CarbonylContact O-C 3.58Å; M151-I157 WeakPolarHBondContact O-CA 3.29Å; I152-I157 HydrophobicContact CG1-CG1 4.12Å
158	V	91.6	Very high	89.8	Confident	21 Å²	21	76 Å²	76	13%	0.127	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	142.3	178.8	-64	0	0	0	0	109.8	F137 M151 L153 Q156 H163	F137-V158 HydrophobicContact CE2-CG2 3.88Å; F137-V158 HydrophobicContact CZ-CG2 3.84Å; M151-V158 HydrophobicContact CB-CG2 3.83Å; M151-V158 PolarHBondContact O-N 2.81Å; L153-V158 HydrophobicContact CB-CG1 3.9Å; L153-V158 HydrophobicContact CB-CG2 4.3Å; Q156-V158 PolarHBondContact O-N 3.19Å; V158-H163 VanDerWaalsContact CB-CE1 3.42Å; V158-H163 WeakPolarHBondContact CB-CE1 3.47Å; V158-H163 WeakPolarHBondContact CB-NE2 3.38Å; V158-H163 VanDerWaalsContact CG1-NE2 3.34Å; V158-H163 WeakPolarHBondContact CG1-NE2 3.29Å
159	V	87	Confident	90	Very high	135 Å²	135	71.7 Å²	71.7	82%	0.818	37%	0.372	S	S	*	.			trans	-99.6	-23.7	-179.9	-77.2	0	0	0	0	112.5
160	E	90	Very high	90	Very high	129 Å²	129	72 Å²	72	60%	0.603	37%	0.373	S	S	*	.			trans	-85.3	145.1	178.6	-64.6	-179.4	-176.5	0	0	110.5	M151 E162 H163	M151-E160 WeakPolarHBondContact CE-O 3.47Å; E160-E162 VanDerWaalsContact C-N 3.34Å; E160-H163 PolarHBondContact O-CE1 2.72Å; E160-H163 PolarHBondContact O-ND1 2.85Å
161	M	87.3	Confident	90	Very high	96 Å²	96	71 Å²	71	47%	0.473	37%	0.366	S	S	.	.	S	Bend	trans	-78.9	-19.8	175	-70.9	-170.3	-159.5	0	0	112.5	R136 F137 M151	R136-M161 CarbonylContact C-O 3.51Å; R136-M161 VanDerWaalsContact CA-O 3.25Å; R136-M161 WeakPolarHBondContact CA-O 3.5Å; R136-M161 HydrophobicContact CG-CB 4.28Å; F137-M161 WeakPolarHBondContact CD2-O 3.3Å; F137-M161 PolarHBondContact N-O 2.98Å; M151-M161 HydrophobicContact CE-CG 4.12Å; M151-M161 HydrophobicContact SD-CG 4.17Å
162	E	91.7	Very high	90.1	Very high	90 Å²	90	72.3 Å²	72.3	42%	0.421	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.7	-169.7	-72.7	-176.9	-176.8	0	0	110.9	I134 Y135 R136 E160	I134-E162 HydrophobicContact CG2-CB 3.69Å; I134-E162 HydrophobicContact CG2-CG 4.09Å; Y135-E162 CarbonylContact O-C 3.52Å; Y135-E162 WeakPolarHBondContact O-CA 3.42Å; R136-E162 HydrophobicContact CB-CG 4.04Å; R136-E162 HydrophobicContact CG-CG 3.9Å; R136-E162 IonicContact CZ-OE1 3.09Å; R136-E162 IonicContact NE-OE1 2.97Å; R136-E162 IonicContact NH1-OE1 2.73Å; R136-E162 PolarHBondContact NH1-OE1 3.19Å; E160-E162 VanDerWaalsContact C-N 3.34Å
163	H	91.1	Very high	90.1	Very high	35 Å²	35	71 Å²	71	16%	0.162	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	138.5	-175.3	-75	80.4	0	0	0	112	Y135 F137 L153 V158 E160 I165	Y135-H163 PolarHBondContact N-O 3.34Å; Y135-H163 PolarHBondContact O-N 3.18Å; F137-H163 AromaticContact CE2-ND1 3.68Å; L153-H163 HydrophobicContact CD2-CB 3.82Å; V158-H163 VanDerWaalsContact CB-CE1 3.42Å; V158-H163 WeakPolarHBondContact CB-CE1 3.47Å; V158-H163 WeakPolarHBondContact CB-NE2 3.38Å; V158-H163 VanDerWaalsContact CG1-NE2 3.34Å; V158-H163 WeakPolarHBondContact CG1-NE2 3.29Å; E160-H163 PolarHBondContact O-CE1 2.72Å; E160-H163 PolarHBondContact O-ND1 2.85Å; H163-I165 PolarHBondContact O-N 3.15Å
164	N	89.9	Confident	90.1	Very high	101 Å²	101	72.9 Å²	72.9	54%	0.54	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	121.2	174.1	-80.9	-23.3	0	0	0	111.2	S133 I134	S133-N164 WeakPolarHBondContact O-CA 3.28Å; I134-N164 WeakPolarHBondContact CG1-OD1 3.27Å
165	I	90	Very high	90.1	Very high	1 Å²	1	70.4 Å²	70.4	1%	0.005	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	103.7	-179.8	-53.5	-58.8	0	0	0	109.9	V129 G132 S133 Y135 L153 H163 E167 I188 V190	V129-I165 HydrophobicContact CG2-CB 3.92Å; V129-I165 HydrophobicContact CG2-CG1 4.26Å; V129-I165 HydrophobicContact CG2-CG2 3.84Å; G132-I165 PolarHBondContact N-O 3.35Å; S133-I165 PolarHBondContact O-N 2.99Å; Y135-I165 HydrophobicContact CG-CG1 4.48Å; L153-I165 HydrophobicContact CD1-CD1 4.25Å; H163-I165 PolarHBondContact O-N 3.15Å; I165-E167 VanDerWaalsContact CG2-O 3.3Å; I165-E167 WeakPolarHBondContact CG2-O 3.44Å; I165-I188 HydrophobicContact CD1-CD1 3.93Å; I165-I188 HydrophobicContact CG1-CD1 4.3Å; I165-I188 HydrophobicContact CG1-CG2 4.2Å; I165-I188 HydrophobicContact CG2-CG2 3.82Å; I165-V190 HydrophobicContact CG2-CG2 3.73Å
166	T	87.2	Confident	90.1	Very high	69 Å²	69	68.2 Å²	68.2	42%	0.423	35%	0.346	S	S	.	.			trans	-106.4	-5	-180	57.2	0	0	0	0	114.3	W131	W131-T166 HydrophobicContact CZ2-CG2 4.45Å; W131-T166 PolarHBondContact NE1-O 2.98Å
167	E	88.1	Confident	89.9	Confident	123 Å²	123	62.2 Å²	62.2	58%	0.575	32%	0.318	S	S	*	.	S	Bend	trans	-152.8	161.6	178.5	59.9	-174.6	-179.2	0	0	109.3	I165 S169 V190	I165-E167 VanDerWaalsContact CG2-O 3.3Å; I165-E167 WeakPolarHBondContact CG2-O 3.44Å; E167-S169 PolarHBondContact O-N 3.5Å; E167-S169 PolarHBondContact O-OG 3.48Å; E167-V190 WeakPolarHBondContact O-CG2 3.47Å
168	D	87.3	Confident	89.3	Confident	104 Å²	104	61.1 Å²	61.1	56%	0.556	32%	0.322	S	S	*	.			trans	-53.9	125.7	173.7	-67	-10.4	0	0	0	109	I188 V190	D168-I188 WeakPolarHBondContact CA-O 3.31Å; D168-V190 PolarHBondContact OD1-N 2.86Å
169	S	92.2	Very high	88.5	Confident	7 Å²	7	62.2 Å²	62.2	5%	0.049	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153.8	-169.2	-64.2	0	0	0	0	111.3	N154 E167 I188	N154-S169 PolarHBondContact ND2-OG 2.68Å; N154-S169 WeakPolarHBondContact OD1-CA 3.18Å; N154-S169 WeakPolarHBondContact OD1-CB 3.13Å; E167-S169 PolarHBondContact O-N 3.5Å; E167-S169 PolarHBondContact O-OG 3.48Å; S169-I188 PolarHBondContact N-O 3.23Å; S169-I188 PolarHBondContact O-N 3.22Å
170	I	91.4	Very high	87.8	Confident	63 Å²	63	57 Å²	57	32%	0.323	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.4	174.4	-56.1	176.7	0	0	0	107.2	L153 N154 Y187	L153-I170 WeakPolarHBondContact CA-O 3.45Å; N154-I170 PolarHBondContact N-O 3.13Å; N154-I170 PolarHBondContact OD1-N 3.27Å; I170-Y187 HydrophobicContact CD1-CD1 4.19Å; I170-Y187 HydrophobicContact CD1-CE1 3.67Å; I170-Y187 HydrophobicContact CG1-CD1 3.74Å; I170-Y187 HydrophobicContact CG1-CE1 3.74Å
171	V	91.8	Very high	87.4	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.8	174.4	-71.1	0	0	0	0	110.1	V124 Y135 F137 I152 L153 L185 A186 I188	V124-V171 HydrophobicContact CG1-CG2 3.91Å; Y135-V171 HydrophobicContact CD1-CG1 4.25Å; Y135-V171 HydrophobicContact CE1-CB 4.4Å; Y135-V171 HydrophobicContact CE1-CG1 3.9Å; Y135-V171 HydrophobicContact CE1-CG2 4.17Å; F137-V171 HydrophobicContact CD1-CB 4.31Å; F137-V171 HydrophobicContact CD1-CG1 4.46Å; F137-V171 HydrophobicContact CE1-CB 3.66Å; F137-V171 HydrophobicContact CE1-CG1 3.73Å; F137-V171 HydrophobicContact CE2-CG1 4.16Å; F137-V171 HydrophobicContact CZ-CB 4.01Å; F137-V171 HydrophobicContact CZ-CG1 3.54Å; I152-V171 CarbonylContact O-C 3.48Å; I152-V171 WeakPolarHBondContact O-CA 3.39Å; L153-V171 HydrophobicContact CD1-CG1 3.51Å; V171-L185 CarbonylContact O-C 3.57Å; V171-L185 VanDerWaalsContact O-CA 3.31Å; V171-L185 WeakPolarHBondContact O-CA 3.3Å; V171-A186 HydrophobicContact CG2-CB 4.03Å; V171-A186 WeakPolarHBondContact CG2-O 3.48Å; V171-A186 PolarHBondContact N-O 3.35Å; V171-A186 PolarHBondContact O-N 3.4Å; V171-I188 HydrophobicContact CB-CD1 4.35Å; V171-I188 HydrophobicContact CG1-CD1 3.41Å; V171-I188 VanDerWaalsContact CG1-CD1 3.41Å; V171-I188 HydrophobicContact CG1-CG1 4.2Å; V171-I188 HydrophobicContact CG2-CD1 3.99Å; V171-I188 HydrophobicContact CG2-CG1 3.99Å
172	E	92.7	Very high	87.2	Confident	46 Å²	46	52.9 Å²	52.9	22%	0.215	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	132.4	178.3	169.3	-174.7	-171.7	0	0	109.5	I152 H183 D184 L185	I152-E172 HydrophobicContact CB-CB 4.08Å; I152-E172 HydrophobicContact CD1-CG 4.38Å; I152-E172 WeakPolarHBondContact CD1-OE2 3.26Å; I152-E172 PolarHBondContact N-O 2.9Å; I152-E172 PolarHBondContact O-N 3.49Å; E172-H183 IonicContact OE1-CD2 2.72Å; E172-D184 CarbonylContact C-O 3.56Å; E172-D184 WeakPolarHBondContact CA-O 3Å; E172-L185 HydrophobicContact CB-CB 4.32Å
173	C	93.7	Very high	87.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127	172.7	-60.6	0	0	0	0	108	L120 V124 C139 F141 H183 D184	L120-C173 HydrophobicContact CD1-CB 4.17Å; L120-C173 HydrophobicContact CD2-CB 3.79Å; V124-C173 HydrophobicContact CG2-CB 4.01Å; V124-C173 WeakPolarHBondContact CG2-SG 3.28Å; C139-C173 WeakPolarHBondContact CA-SG 3.39Å; C139-C173 HydrophobicContact CB-CB 3.66Å; C139-C173 WeakPolarHBondContact CB-SG 3.49Å; C139-C173 VanDerWaalsContact SG-CA 3.54Å; C139-C173 WeakPolarHBondContact SG-CB 3.37Å; C139-C173 CovalentContact SG-SG 2Å; C139-C173 PolarHBondContact SG-SG 3.28Å; F141-C173 HydrophobicContact CE1-CB 4.36Å; C173-H183 CarbonylContact O-C 3.43Å; C173-H183 WeakPolarHBondContact O-CA 3.27Å; C173-H183 WeakPolarHBondContact O-CB 3.42Å; C173-D184 PolarHBondContact N-O 3.44Å; C173-D184 PolarHBondContact O-N 2.93Å
174	K	91.9	Very high	87	Confident	59 Å²	59	51.2 Å²	51.2	26%	0.257	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	132.3	-179.7	170.7	-177.1	-179	-162.2	0	111.3	T150 M181 H183	T150-K174 PolarHBondContact N-O 3.27Å; T150-K174 PolarHBondContact O-N 3.14Å; T150-K174 VanDerWaalsContact O-O 3.1Å; T150-K174 VanDerWaalsContact OG1-CB 3.26Å; T150-K174 WeakPolarHBondContact OG1-CB 3.3Å; T150-K174 WeakPolarHBondContact OG1-CG 3.16Å; T150-K174 PolarHBondContact OG1-O 2.98Å; K174-M181 WeakPolarHBondContact CE-SD 3.44Å; K174-H183 HydrophobicContact CB-CB 3.7Å; K174-H183 HydrophobicContact CG-CB 3.97Å
175	V	90.5	Very high	87.1	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137.5	176.1	56.6	0	0	0	0	111.2	A118 L120 F141 D148 D149 M181 V182	A118-V175 HydrophobicContact CB-CB 4.46Å; A118-V175 HydrophobicContact CB-CG1 4.2Å; A118-V175 HydrophobicContact CB-CG2 3.8Å; L120-V175 HydrophobicContact CD2-CG1 4.26Å; L120-V175 HydrophobicContact CG-CG1 4.14Å; F141-V175 HydrophobicContact CB-CB 4.42Å; F141-V175 HydrophobicContact CB-CG2 4.23Å; F141-V175 HydrophobicContact CD1-CB 3.68Å; F141-V175 HydrophobicContact CD1-CG1 4.19Å; F141-V175 HydrophobicContact CD1-CG2 4.37Å; F141-V175 HydrophobicContact CE1-CB 4.34Å; F141-V175 HydrophobicContact CG-CB 4.37Å; D148-V175 WeakPolarHBondContact O-CA 3.17Å; D149-V175 WeakPolarHBondContact OD1-CG2 3.48Å; V175-M181 CarbonylContact O-C 3.58Å; V175-M181 WeakPolarHBondContact O-CA 3.21Å; V175-V182 HydrophobicContact CG1-CB 4.22Å; V175-V182 PolarHBondContact N-O 2.93Å; V175-V182 PolarHBondContact O-N 3.24Å; V175-V182 VanDerWaalsContact O-O 3.08Å
176	Q	87.4	Confident	87.1	Confident	85 Å²	85	49.2 Å²	49.2	40%	0.397	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	140.7	179.3	-178.9	172.2	-12.7	0	0	112.1	R147 D148 G180 M181	R147-Q176 CarbonylContact C-O 3.58Å; R147-Q176 WeakPolarHBondContact CA-O 3.34Å; D148-Q176 PolarHBondContact N-O 3.18Å; D148-Q176 PolarHBondContact O-N 3.14Å; Q176-G180 WeakPolarHBondContact CA-O 3.28Å; Q176-M181 HydrophobicContact CB-CB 4.11Å; Q176-M181 HydrophobicContact CB-CG 3.98Å; Q176-M181 HydrophobicContact CG-CB 3.96Å; Q176-M181 HydrophobicContact CG-CG 4.23Å; Q176-M181 PolarHBondContact OE1-SD 2.89Å; Q176-M181 VanDerWaalsContact OE1-SD 3.41Å
177	N	84.6	Confident	87.3	Confident	13 Å²	13	50.3 Å²	50.3	7%	0.07	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	-176.2	163.8	70.9	2.6	0	0	0	110.6	V116 A118 T144 R147 L179 G180	V116-N177 PolarHBondContact O-ND2 3.47Å; A118-N177 HydrophobicContact CB-CB 4.37Å; A118-N177 PolarHBondContact N-ND2 3Å; A118-N177 PolarHBondContact N-OD1 3.03Å; A118-N177 VanDerWaalsContact N-OD1 3.08Å; T144-N177 PolarHBondContact O-ND2 3.16Å; R147-N177 HydrophobicContact CB-CB 4.25Å; N177-L179 PolarHBondContact O-N 3.12Å; N177-L179 VanDerWaalsContact O-N 3.08Å; N177-L179 PolarHBondContact OD1-N 2.94Å; N177-L179 VanDerWaalsContact OD1-N 3.16Å; N177-G180 PolarHBondContact N-O 3.5Å; N177-G180 PolarHBondContact O-N 3.28Å; N177-G180 VanDerWaalsContact O-O 3.06Å; N177-G180 PolarHBondContact OD1-N 3.1Å; N177-G180 PolarHBondContact OD1-O 2.88Å
178	S	78.5	Confident	87.3	Confident	107 Å²	107	44.5 Å²	44.5	75%	0.748	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.3	-178	56.8	0	0	0	0	114.2
179	L	74.9	Confident	87.2	Confident	44 Å²	44	41.3 Å²	41.3	23%	0.23	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-14	-178.9	-58.5	-171.3	0	0	0	115.2	P33 I115 K117 N177	P33-L179 HydrophobicContact CB-CD1 3.8Å; P33-L179 HydrophobicContact CB-CD2 4.45Å; P33-L179 HydrophobicContact CG-CD1 3.86Å; P33-L179 HydrophobicContact CG-CD2 3.64Å; P33-L179 HydrophobicContact CG-CG 4.42Å; I115-L179 HydrophobicContact CB-CD1 3.62Å; I115-L179 HydrophobicContact CB-CG 4.4Å; I115-L179 HydrophobicContact CG2-CD1 3.24Å; I115-L179 HydrophobicContact CG2-CD2 4.46Å; I115-L179 HydrophobicContact CG2-CG 3.63Å; I115-L179 WeakPolarHBondContact O-CD1 3.4Å; K117-L179 HydrophobicContact CB-CB 4.23Å; K117-L179 HydrophobicContact CD-CB 4.32Å; K117-L179 HydrophobicContact CG-CB 3.72Å; K117-L179 HydrophobicContact CG-CD1 4.06Å; N177-L179 PolarHBondContact O-N 3.12Å; N177-L179 VanDerWaalsContact O-N 3.08Å; N177-L179 PolarHBondContact OD1-N 2.94Å; N177-L179 VanDerWaalsContact OD1-N 3.16Å
180	G	72.5	Confident	86.7	Confident	25 Å²	25	42 Å²	42	26%	0.258	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	178.6	166.8	-174.6	0	0	0	0	0	114.3	A118 Q176 N177	A118-G180 WeakPolarHBondContact CB-O 3.31Å; Q176-G180 WeakPolarHBondContact CA-O 3.28Å; N177-G180 PolarHBondContact N-O 3.5Å; N177-G180 PolarHBondContact O-N 3.28Å; N177-G180 VanDerWaalsContact O-O 3.06Å; N177-G180 PolarHBondContact OD1-N 3.1Å; N177-G180 PolarHBondContact OD1-O 2.88Å
181	M	80.5	Confident	86	Confident	84 Å²	84	43.8 Å²	43.8	41%	0.414	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	132.7	175.4	179.5	-179.7	71.2	0	0	108.2	K174 V175 Q176	K174-M181 WeakPolarHBondContact CE-SD 3.44Å; V175-M181 CarbonylContact O-C 3.58Å; V175-M181 WeakPolarHBondContact O-CA 3.21Å; Q176-M181 HydrophobicContact CB-CB 4.11Å; Q176-M181 HydrophobicContact CB-CG 3.98Å; Q176-M181 HydrophobicContact CG-CB 3.96Å; Q176-M181 HydrophobicContact CG-CG 4.23Å; Q176-M181 PolarHBondContact OE1-SD 2.89Å; Q176-M181 VanDerWaalsContact OE1-SD 3.41Å
182	V	84.5	Confident	85.1	Confident	54 Å²	54	48.8 Å²	48.8	33%	0.327	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	139.3	174.6	-179.3	0	0	0	0	107.7	A118 L120 V175	A118-V182 VanDerWaalsContact O-CG2 3.28Å; A118-V182 WeakPolarHBondContact O-CG2 3.32Å; L120-V182 HydrophobicContact CB-CG1 4.39Å; L120-V182 HydrophobicContact CD1-CG1 3.94Å; L120-V182 HydrophobicContact CG-CG1 4.1Å; V175-V182 HydrophobicContact CG1-CB 4.22Å; V175-V182 PolarHBondContact N-O 2.93Å; V175-V182 PolarHBondContact O-N 3.24Å; V175-V182 VanDerWaalsContact O-O 3.08Å
183	H	87.9	Confident	83.6	Confident	46 Å²	46	53.2 Å²	53.2	21%	0.213	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	154.3	172.3	65.9	-51.9	0	0	0	108.8	E172 C173 K174 G1042	E172-H183 IonicContact OE1-CD2 2.72Å; C173-H183 CarbonylContact O-C 3.43Å; C173-H183 WeakPolarHBondContact O-CA 3.27Å; C173-H183 WeakPolarHBondContact O-CB 3.42Å; K174-H183 HydrophobicContact CB-CB 3.7Å; K174-H183 HydrophobicContact CG-CB 3.97Å; H183-G1042 WeakPolarHBondContact CE1-CA 3.38Å; H183-G1042 PolarHBondContact CE1-O 3.42Å; H183-G1042 WeakPolarHBondContact NE2-CA 3.4Å; H183-G1042 PolarHBondContact NE2-O 2.97Å
184	D	90.5	Very high	82.4	Confident	44 Å²	44	53.5 Å²	53.5	24%	0.235	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	148.7	-178.6	-169.2	16.4	0	0	0	109.2	L120 T123 V124 E172 C173	L120-D184 HydrophobicContact CD1-CB 3.56Å; T123-D184 WeakPolarHBondContact CA-OD2 3.43Å; T123-D184 VanDerWaalsContact CB-OD2 3.23Å; T123-D184 WeakPolarHBondContact CB-OD2 2.97Å; V124-D184 HydrophobicContact CG2-CB 3.87Å; V124-D184 PolarHBondContact N-OD2 2.95Å; E172-D184 CarbonylContact C-O 3.56Å; E172-D184 WeakPolarHBondContact CA-O 3Å; C173-D184 PolarHBondContact N-O 3.44Å; C173-D184 PolarHBondContact O-N 2.93Å
185	L	91.4	Very high	81.5	Confident	60 Å²	60	56.2 Å²	56.2	31%	0.314	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	145.2	-171.5	70.4	91.7	0	0	0	111.7	V171 E172 Y187	V171-L185 CarbonylContact O-C 3.57Å; V171-L185 VanDerWaalsContact O-CA 3.31Å; V171-L185 WeakPolarHBondContact O-CA 3.3Å; E172-L185 HydrophobicContact CB-CB 4.32Å; L185-Y187 HydrophobicContact CD1-CE2 3.89Å
186	A	90.3	Very high	80.2	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	155.3	175.3	0	0	0	0	0	112.1	V124 H125 N126 V171	V124-A186 HydrophobicContact CB-CB 3.72Å; V124-A186 HydrophobicContact CG1-CB 3.57Å; H125-A186 VanDerWaalsContact C-CB 3.42Å; H125-A186 WeakPolarHBondContact O-CB 3.13Å; N126-A186 WeakPolarHBondContact OD1-CA 3.48Å; V171-A186 HydrophobicContact CG2-CB 4.03Å; V171-A186 WeakPolarHBondContact CG2-O 3.48Å; V171-A186 PolarHBondContact N-O 3.35Å; V171-A186 PolarHBondContact O-N 3.4Å
187	Y	90.2	Very high	78.5	Confident	92 Å²	92	59.2 Å²	59.2	36%	0.361	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.9	176.4	-62.3	-91.8	0	0	0	110.1	N126 T127 I170 L185	N126-Y187 VanDerWaalsContact CA-O 3.29Å; N126-Y187 WeakPolarHBondContact CA-O 3.39Å; N126-Y187 PolarHBondContact OD1-N 2.84Å; T127-Y187 PolarHBondContact N-O 2.98Å; I170-Y187 HydrophobicContact CD1-CD1 4.19Å; I170-Y187 HydrophobicContact CD1-CE1 3.67Å; I170-Y187 HydrophobicContact CG1-CD1 3.74Å; I170-Y187 HydrophobicContact CG1-CE1 3.74Å; L185-Y187 HydrophobicContact CD1-CE2 3.89Å
188	I	89.4	Confident	77.4	Confident	2 Å²	2	59 Å²	59	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	108.4	170	-55.6	176.9	0	0	0	107.7	T127 V129 Y135 I165 D168 S169 V171	T127-I188 WeakPolarHBondContact O-CA 3.28Å; V129-I188 HydrophobicContact CB-CG2 4.32Å; V129-I188 HydrophobicContact CG1-CG2 4.05Å; V129-I188 HydrophobicContact CG2-CG2 3.37Å; Y135-I188 HydrophobicContact CD1-CD1 3.43Å; Y135-I188 VanDerWaalsContact CD1-CD1 3.43Å; Y135-I188 HydrophobicContact CD2-CD1 3.6Å; Y135-I188 HydrophobicContact CD2-CG1 4.35Å; Y135-I188 HydrophobicContact CE1-CD1 3.57Å; Y135-I188 HydrophobicContact CE2-CD1 3.73Å; Y135-I188 HydrophobicContact CE2-CG1 4.18Å; Y135-I188 HydrophobicContact CG-CD1 3.44Å; Y135-I188 VanDerWaalsContact CG-CD1 3.44Å; I165-I188 HydrophobicContact CD1-CD1 3.93Å; I165-I188 HydrophobicContact CG1-CD1 4.3Å; I165-I188 HydrophobicContact CG1-CG2 4.2Å; I165-I188 HydrophobicContact CG2-CG2 3.82Å; D168-I188 WeakPolarHBondContact CA-O 3.31Å; S169-I188 PolarHBondContact N-O 3.23Å; S169-I188 PolarHBondContact O-N 3.22Å; V171-I188 HydrophobicContact CB-CD1 4.35Å; V171-I188 HydrophobicContact CG1-CD1 3.41Å; V171-I188 VanDerWaalsContact CG1-CD1 3.41Å; V171-I188 HydrophobicContact CG1-CG1 4.2Å; V171-I188 HydrophobicContact CG2-CD1 3.99Å; V171-I188 HydrophobicContact CG2-CG1 3.99Å
189	T	84.4	Confident	76.8	Confident	37 Å²	37	59.5 Å²	59.5	23%	0.227	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.8	176.9	-36.3	0	0	0	0	109.8	T127 T128 V129 R191	T127-T189 PolarHBondContact O-N 2.71Å; T128-T189 CarbonylContact C-O 3.52Å; T128-T189 VanDerWaalsContact CA-O 3.29Å; T128-T189 WeakPolarHBondContact CA-O 3.14Å; V129-T189 PolarHBondContact N-O 2.87Å; T189-R191 PolarHBondContact O-N 3.38Å
190	V	81.6	Confident	75.8	Confident	20 Å²	20	65.1 Å²	65.1	12%	0.121	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	124.3	171.1	174.1	0	0	0	0	108.8	V129 W131 I165 E167 D168	V129-V190 CarbonylContact O-C 3.59Å; V129-V190 WeakPolarHBondContact O-CA 3.4Å; W131-V190 HydrophobicContact CB-CG1 3.75Å; W131-V190 HydrophobicContact CG-CG1 4.47Å; I165-V190 HydrophobicContact CG2-CG2 3.73Å; E167-V190 WeakPolarHBondContact O-CG2 3.47Å; D168-V190 PolarHBondContact OD1-N 2.86Å
191	R	76.4	Confident	74.9	Confident	101 Å²	101	69.4 Å²	69.4	38%	0.381	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-57.1	127.9	-179.8	-169.2	172	-63.2	134.6	4.5	110.2	V129 D130 T189 S194	V129-R191 PolarHBondContact O-N 3.22Å; D130-R191 IonicContact OD1-CZ 3.33Å; D130-R191 IonicContact OD1-NE 2.6Å; D130-R191 IonicContact OD1-NH1 3.94Å; D130-R191 PolarHBondContact OD1-NH1 2.9Å; D130-R191 IonicContact OD2-CZ 3.81Å; D130-R191 IonicContact OD2-NH1 2.66Å; D130-R191 PolarHBondContact OD2-NH1 3.28Å; T189-R191 PolarHBondContact O-N 3.38Å; R191-S194 VanDerWaalsContact O-CB 3.27Å; R191-S194 WeakPolarHBondContact O-CB 2.95Å; R191-S194 PolarHBondContact O-N 2.97Å; R191-S194 PolarHBondContact O-OG 3.41Å
192	P	72.5	Confident	73.5	Confident	105 Å²	105	67.1 Å²	67.1	68%	0.682	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	145.4	176	-27	34.2	0	0	0	111.9	S194	P192-S194 PolarHBondContact O-N 3.41Å
193	D	61.8	Low	72.1	Confident	139 Å²	139	69.1 Å²	69.1	74%	0.743	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	-11.6	-177.6	-53	-40.4	0	0	0	116.9	K195 A196 W197	D193-K195 PolarHBondContact O-N 3.3Å; D193-A196 PolarHBondContact O-N 3.44Å; D193-A196 VanDerWaalsContact O-N 3.12Å; D193-W197 PolarHBondContact O-N 3.49Å
194	S	69.3	Low	70.2	Confident	6 Å²	6	67.8 Å²	67.8	4%	0.042	35%	0.352	C	S	.	.	H	α-helix	trans	-60.3	-31.6	176.8	67.4	0	0	0	0	112.3	W131 R191 P192 W197 G198	W131-S194 VanDerWaalsContact CB-OG 3.26Å; W131-S194 WeakPolarHBondContact CB-OG 3.43Å; W131-S194 PolarHBondContact N-OG 3.21Å; R191-S194 VanDerWaalsContact O-CB 3.27Å; R191-S194 WeakPolarHBondContact O-CB 2.95Å; R191-S194 PolarHBondContact O-N 2.97Å; R191-S194 PolarHBondContact O-OG 3.41Å; P192-S194 PolarHBondContact O-N 3.41Å; S194-W197 PolarHBondContact O-N 3.49Å; S194-G198 PolarHBondContact O-N 3.34Å
195	K	73.3	Confident	68.1	Low	116 Å²	116	72.7 Å²	72.7	50%	0.504	38%	0.379	S	S	.	.	H	α-helix	trans	-63.9	-46.9	173.9	-177.8	171.9	-176.9	175.7	0	112.4	W131 D193 W197 G198 L199	W131-K195 HydrophobicContact CB-CB 3.99Å; W131-K195 HydrophobicContact CD2-CB 4.07Å; W131-K195 HydrophobicContact CD2-CG 3.95Å; W131-K195 HydrophobicContact CG-CB 3.64Å; W131-K195 HydrophobicContact CG-CG 3.94Å; W131-K195 HydrophobicContact CZ2-CG 4.49Å; D193-K195 PolarHBondContact O-N 3.3Å; K195-W197 VanDerWaalsContact C-N 3.29Å; K195-W197 PolarHBondContact O-N 3.14Å; K195-G198 PolarHBondContact O-N 3.43Å; K195-L199 HydrophobicContact CG-CD1 3.81Å; K195-L199 HydrophobicContact CG-CG 4.39Å; K195-L199 VanDerWaalsContact O-CB 3.27Å; K195-L199 WeakPolarHBondContact O-CB 3.21Å; K195-L199 WeakPolarHBondContact O-CD1 3.43Å; K195-L199 WeakPolarHBondContact O-CG 3.49Å; K195-L199 PolarHBondContact O-N 3.09Å
196	A	62.8	Low	65.8	Low	66 Å²	66	80.6 Å²	80.6	55%	0.545	40%	0.404	S	S	.	.	H	α-helix	trans	-65.6	-37.2	178.7	0	0	0	0	0	111.1	D193 K200	D193-A196 PolarHBondContact O-N 3.44Å; D193-A196 VanDerWaalsContact O-N 3.12Å; A196-K200 VanDerWaalsContact O-CB 3.3Å; A196-K200 WeakPolarHBondContact O-CB 3.39Å; A196-K200 PolarHBondContact O-N 2.69Å
197	W	52.3	Low	63.4	Low	83 Å²	83	88.1 Å²	88.1	31%	0.314	44%	0.444	S	S	.	.	H	α-helix	trans	-69.4	-48.7	175.7	-167	95.3	0	0	0	112.2	D193 S194 K195 L199 K200 H201 G202 Y209	D193-W197 PolarHBondContact O-N 3.49Å; S194-W197 PolarHBondContact O-N 3.49Å; K195-W197 VanDerWaalsContact C-N 3.29Å; K195-W197 PolarHBondContact O-N 3.14Å; W197-L199 PolarHBondContact O-N 3.13Å; W197-K200 PolarHBondContact O-N 3.41Å; W197-H201 AromaticContact CD1-ND1 3.66Å; W197-H201 HydrophobicContact CD2-CB 4.23Å; W197-H201 AromaticContact CE2-ND1 3.89Å; W197-H201 HydrophobicContact CE3-CB 4.42Å; W197-H201 AromaticContact CG-ND1 3.96Å; W197-H201 HydrophobicContact CH2-CB 4.2Å; W197-H201 HydrophobicContact CZ2-CB 4.01Å; W197-H201 HydrophobicContact CZ3-CB 4.42Å; W197-H201 AromaticContact NE1-ND1 3.59Å; W197-H201 PolarHBondContact O-N 2.77Å; W197-G202 WeakPolarHBondContact CZ3-O 3.37Å; W197-Y209 HydrophobicContact CD2-CD1 4.37Å; W197-Y209 AromaticContact CD2-CE1 3.52Å; W197-Y209 HydrophobicContact CD2-CE1 3.52Å; W197-Y209 AromaticContact CE2-CE1 3.76Å; W197-Y209 AromaticContact CE3-CE1 3.4Å; W197-Y209 HydrophobicContact CE3-CE1 3.4Å; W197-Y209 AromaticContact CE3-CZ 3.79Å; W197-Y209 HydrophobicContact CG-CE1 4.18Å; W197-Y209 HydrophobicContact CH2-CD1 4.39Å; W197-Y209 AromaticContact CH2-CE1 3.83Å; W197-Y209 HydrophobicContact CH2-CE1 3.83Å; W197-Y209 HydrophobicContact CZ2-CD1 4.23Å; W197-Y209 AromaticContact CZ2-CE1 3.93Å; W197-Y209 HydrophobicContact CZ2-CE1 3.93Å; W197-Y209 AromaticContact CZ3-CE1 3.54Å; W197-Y209 HydrophobicContact CZ3-CE1 3.54Å; W197-Y209 AromaticContact CZ3-CZ 3.76Å; W197-Y209 WeakPolarHBondContact CZ3-OH 3.36Å
198	G	60.7	Low	60.8	Low	7 Å²	7	87.1 Å²	87.1	7%	0.072	45%	0.451	C	S	.	.	H	α-helix	trans	-62	-39.3	179.6	0	0	0	0	0	112.9	S194 K195 K200 G202	S194-G198 PolarHBondContact O-N 3.34Å; K195-G198 PolarHBondContact O-N 3.43Å; G198-K200 VanDerWaalsContact C-N 3.26Å; G198-K200 PolarHBondContact O-N 2.85Å; G198-G202 WeakPolarHBondContact CA-O 3.46Å; G198-G202 CarbonylContact O-C 3.55Å; G198-G202 VanDerWaalsContact O-CA 3.23Å; G198-G202 WeakPolarHBondContact O-CA 3.45Å; G198-G202 PolarHBondContact O-N 3.33Å
199	L	65.3	Low	58.2	Low	118 Å²	118	91 Å²	91	62%	0.618	47%	0.466	S	S	*	.	H	α-helix	trans	-66.5	-25.2	172.9	-72	169.8	0	0	0	113.3	W131 K195 W197	W131-L199 HydrophobicContact CH2-CD2 3.68Å; W131-L199 HydrophobicContact CH2-CG 4.06Å; W131-L199 HydrophobicContact CZ2-CD2 4.27Å; W131-L199 HydrophobicContact CZ3-CD2 4.21Å; W131-L199 HydrophobicContact CZ3-CG 4.21Å; K195-L199 HydrophobicContact CG-CD1 3.81Å; K195-L199 HydrophobicContact CG-CG 4.39Å; K195-L199 VanDerWaalsContact O-CB 3.27Å; K195-L199 WeakPolarHBondContact O-CB 3.21Å; K195-L199 WeakPolarHBondContact O-CD1 3.43Å; K195-L199 WeakPolarHBondContact O-CG 3.49Å; K195-L199 PolarHBondContact O-N 3.09Å; W197-L199 PolarHBondContact O-N 3.13Å
200	K	53.7	Low	55.7	Low	162 Å²	162	93.2 Å²	93.2	70%	0.704	48%	0.482	S	S	*	.	H	α-helix	trans	-97.4	-36.2	-175.7	-170.8	174.4	177.5	-178.8	0	113.8	A196 W197 G198	A196-K200 VanDerWaalsContact O-CB 3.3Å; A196-K200 WeakPolarHBondContact O-CB 3.39Å; A196-K200 PolarHBondContact O-N 2.69Å; W197-K200 PolarHBondContact O-N 3.41Å; G198-K200 VanDerWaalsContact C-N 3.26Å; G198-K200 PolarHBondContact O-N 2.85Å
201	H	54.9	Low	53.1	Low	116 Å²	116	101.2 Å²	101.2	54%	0.537	52%	0.518	S	S	.	.	H	α-helix	trans	-122.4	-2.1	-173.2	-54	97.5	0	0	0	113.9	W197	W197-H201 AromaticContact CD1-ND1 3.66Å; W197-H201 HydrophobicContact CD2-CB 4.23Å; W197-H201 AromaticContact CE2-ND1 3.89Å; W197-H201 HydrophobicContact CE3-CB 4.42Å; W197-H201 AromaticContact CG-ND1 3.96Å; W197-H201 HydrophobicContact CH2-CB 4.2Å; W197-H201 HydrophobicContact CZ2-CB 4.01Å; W197-H201 HydrophobicContact CZ3-CB 4.42Å; W197-H201 AromaticContact NE1-ND1 3.59Å; W197-H201 PolarHBondContact O-N 2.77Å
202	G	51.1	Low	50.6	Low	35 Å²	35	100 Å²	100	36%	0.361	53%	0.525	S	S	.	.			trans	89.5	168.3	-173	0	0	0	0	0	112.9	W197 G198 S204	W197-G202 WeakPolarHBondContact CZ3-O 3.37Å; G198-G202 WeakPolarHBondContact CA-O 3.46Å; G198-G202 CarbonylContact O-C 3.55Å; G198-G202 VanDerWaalsContact O-CA 3.23Å; G198-G202 WeakPolarHBondContact O-CA 3.45Å; G198-G202 PolarHBondContact O-N 3.33Å; G202-S204 PolarHBondContact O-N 3.16Å
203	I	55.5	Low	48.4	Very low	96 Å²	96	101.4 Å²	101.4	49%	0.492	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-76.2	120.3	176.1	-58.7	157	0	0	0	107.1
204	S	47.2	Very low	46.8	Very low	19 Å²	19	99.8 Å²	99.8	13%	0.133	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-75.5	140.5	-179.8	52.7	0	0	0	0	111.6	G202 S208 Y209	G202-S204 PolarHBondContact O-N 3.16Å; S204-S208 WeakPolarHBondContact CB-OG 3.33Å; S204-Y209 WeakPolarHBondContact OG-CE2 3.48Å; S204-Y209 PolarHBondContact OG-OH 3.23Å
205	D	46.1	Very low	45.1	Very low	147 Å²	147	103 Å²	103	79%	0.786	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-60.4	141	160.3	-71.4	-38.3	0	0	0	110.1	N207 S208	D205-N207 PolarHBondContact O-N 3.25Å; D205-S208 PolarHBondContact O-N 3.14Å
206	R	43.3	Very low	43.4	Very low	225 Å²	225	104.9 Å²	104.9	85%	0.849	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-44	-3.3	-161.4	-77.3	-176.7	173.6	-162.8	-1.4	119.9
207	N	40	Very low	42.2	Very low	159 Å²	159	103.7 Å²	103.7	85%	0.85	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.7	8.8	-174	-78.3	-25.4	0	0	0	115.9	D205	D205-N207 PolarHBondContact O-N 3.25Å
208	S	35.5	Very low	41.7	Very low	71 Å²	71	101.9 Å²	101.9	50%	0.497	53%	0.534	S	S	.	.			trans	-101.9	13.1	-171.5	69.9	0	0	0	0	116.4	S204 D205 C210	S204-S208 WeakPolarHBondContact CB-OG 3.33Å; D205-S208 PolarHBondContact O-N 3.14Å; S208-C210 VanDerWaalsContact C-N 3.33Å; S208-C210 PolarHBondContact O-N 2.82Å
209	Y	35.3	Very low	40.9	Very low	83 Å²	83	109.6 Å²	109.6	33%	0.325	57%	0.565	S	S	.	*	S	Bend	trans	-75.5	-16.9	-178.8	-81	-69.1	0	0	0	114.7	D130 W197 S204	D130-Y209 VanDerWaalsContact OD2-CE2 3.3Å; D130-Y209 WeakPolarHBondContact OD2-CE2 3.38Å; W197-Y209 HydrophobicContact CD2-CD1 4.37Å; W197-Y209 AromaticContact CD2-CE1 3.52Å; W197-Y209 HydrophobicContact CD2-CE1 3.52Å; W197-Y209 AromaticContact CE2-CE1 3.76Å; W197-Y209 AromaticContact CE3-CE1 3.4Å; W197-Y209 HydrophobicContact CE3-CE1 3.4Å; W197-Y209 AromaticContact CE3-CZ 3.79Å; W197-Y209 HydrophobicContact CG-CE1 4.18Å; W197-Y209 HydrophobicContact CH2-CD1 4.39Å; W197-Y209 AromaticContact CH2-CE1 3.83Å; W197-Y209 HydrophobicContact CH2-CE1 3.83Å; W197-Y209 HydrophobicContact CZ2-CD1 4.23Å; W197-Y209 AromaticContact CZ2-CE1 3.93Å; W197-Y209 HydrophobicContact CZ2-CE1 3.93Å; W197-Y209 AromaticContact CZ3-CE1 3.54Å; W197-Y209 HydrophobicContact CZ3-CE1 3.54Å; W197-Y209 AromaticContact CZ3-CZ 3.76Å; W197-Y209 WeakPolarHBondContact CZ3-OH 3.36Å; S204-Y209 WeakPolarHBondContact OG-CE2 3.48Å; S204-Y209 PolarHBondContact OG-OH 3.23Å
210	C	30.3	Very low	39.8	Very low	83 Å²	83	108.8 Å²	108.8	56%	0.561	57%	0.569	S	S	*	*			trans	-134.4	108.2	176.4	-83.7	0	0	0	0	110.3	S208 S241	S208-C210 VanDerWaalsContact C-N 3.33Å; S208-C210 PolarHBondContact O-N 2.82Å; C210-S241 PolarHBondContact SG-O 3.13Å; C210-S241 VanDerWaalsContact SG-O 3.35Å
211	Q	27.2	Very low	39.2	Very low	189 Å²	189	101.5 Å²	101.5	88%	0.883	54%	0.539	S	S	*	.			trans	-74.6	127.1	158.6	-75.5	-176.2	-19.3	0	0	108.3	Y213	Q211-Y213 PolarHBondContact O-N 2.96Å
212	S	24	Very low	38.6	Very low	74 Å²	74	98.2 Å²	98.2	52%	0.517	53%	0.532	S	S	.	.			trans	-56	129.3	173.6	56.6	0	0	0	0	110.4	S214	S212-S214 PolarHBondContact O-N 3.2Å; S212-S214 VanDerWaalsContact O-N 3.15Å
213	Y	26.5	Very low	38.1	Very low	135 Å²	135	97.4 Å²	97.4	53%	0.529	52%	0.52	S	S	.	.			trans	-73.7	104.3	167	-151	-101.6	0	0	0	107.8	Q211 T215 S410	Q211-Y213 PolarHBondContact O-N 2.96Å; Y213-T215 VanDerWaalsContact C-N 3.25Å; Y213-T215 HydrophobicContact CD1-CG2 4.44Å; Y213-T215 WeakPolarHBondContact CD1-OG1 3.27Å; Y213-T215 HydrophobicContact CE1-CG2 4.07Å; Y213-T215 VanDerWaalsContact CE1-OG1 3.22Å; Y213-T215 WeakPolarHBondContact CE1-OG1 3.49Å; Y213-T215 PolarHBondContact O-N 3.48Å; Y213-S410 WeakPolarHBondContact OH-CB 3.43Å; Y213-S410 PolarHBondContact OH-OG 3.07Å
214	S	28.1	Very low	37.7	Very low	105 Å²	105	95.9 Å²	95.9	73%	0.734	51%	0.509	S	S	*	.			trans	-81.7	12.3	-166.1	62.3	0	0	0	0	115.1	S212 I216	S212-S214 PolarHBondContact O-N 3.2Å; S212-S214 VanDerWaalsContact O-N 3.15Å; S214-I216 PolarHBondContact O-N 3.12Å
215	T	33.2	Very low	37.6	Very low	73 Å²	73	98.7 Å²	98.7	45%	0.448	53%	0.527	S	S	.	.			trans	-83.9	110.6	-178.1	50	0	0	0	0	111.4	Y213	Y213-T215 VanDerWaalsContact C-N 3.25Å; Y213-T215 HydrophobicContact CD1-CG2 4.44Å; Y213-T215 WeakPolarHBondContact CD1-OG1 3.27Å; Y213-T215 HydrophobicContact CE1-CG2 4.07Å; Y213-T215 VanDerWaalsContact CE1-OG1 3.22Å; Y213-T215 WeakPolarHBondContact CE1-OG1 3.49Å; Y213-T215 PolarHBondContact O-N 3.48Å
216	I	37.5	Very low	37.5	Very low	157 Å²	157	96.2 Å²	96.2	81%	0.805	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-69.9	124.2	167.4	-60.9	168.2	0	0	0	108.1	S214	S214-I216 PolarHBondContact O-N 3.12Å
217	L	37.7	Very low	37.5	Very low	41 Å²	41	88.1 Å²	88.1	22%	0.215	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-59.2	132.7	173.8	-89.2	151.1	0	0	0	110.3	I227 F364	L217-I227 HydrophobicContact CD1-CD1 3.41Å; L217-I227 VanDerWaalsContact CD1-CD1 3.41Å; L217-F364 HydrophobicContact CD2-CD1 4.01Å; L217-F364 HydrophobicContact CD2-CD2 4.08Å; L217-F364 HydrophobicContact CD2-CE1 3.5Å; L217-F364 HydrophobicContact CD2-CE2 3.58Å; L217-F364 HydrophobicContact CD2-CG 4.29Å; L217-F364 HydrophobicContact CD2-CZ 3.27Å; L217-F364 HydrophobicContact CG-CE1 4.34Å; L217-F364 HydrophobicContact CG-CE2 4.34Å; L217-F364 HydrophobicContact CG-CZ 3.86Å
218	P	43.5	Very low	37.7	Very low	45 Å²	45	85.7 Å²	85.7	29%	0.292	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-56.9	143.7	172.8	-22.2	31.8	0	0	0	110.8	S220 S221	P218-S220 WeakPolarHBondContact CB-OG 3.44Å; P218-S220 PolarHBondContact O-N 3.13Å; P218-S221 WeakPolarHBondContact O-CB 3.47Å; P218-S221 PolarHBondContact O-N 2.89Å
219	K	43.1	Very low	38.1	Very low	169 Å²	169	87.5 Å²	87.5	74%	0.735	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-18.7	172.5	-64.5	-170.9	174.7	172.4	0	113.4	Y224	K219-Y224 HydrophobicContact CB-CD1 4.19Å; K219-Y224 HydrophobicContact CB-CE1 4.13Å; K219-Y224 HydrophobicContact CB-CG 4.45Å; K219-Y224 HydrophobicContact CD-CE1 4.42Å; K219-Y224 HydrophobicContact CG-CD1 4.34Å; K219-Y224 HydrophobicContact CG-CD2 4.4Å; K219-Y224 HydrophobicContact CG-CE1 3.83Å; K219-Y224 HydrophobicContact CG-CE2 3.88Å
220	S	41.2	Very low	38.2	Very low	100 Å²	100	85.2 Å²	85.2	70%	0.699	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-9.4	176.6	53.5	0	0	0	0	114.6	P218	P218-S220 WeakPolarHBondContact CB-OG 3.44Å; P218-S220 PolarHBondContact O-N 3.13Å
221	S	42	Very low	38.6	Very low	10 Å²	10	82.1 Å²	82.1	7%	0.07	44%	0.442	C	S	.	.	S	Bend	trans	-61.9	137.9	175.4	161.2	0	0	0	0	110.4	P218 C223 Y224 P225 C363	P218-S221 WeakPolarHBondContact O-CB 3.47Å; P218-S221 PolarHBondContact O-N 2.89Å; S221-C223 PolarHBondContact O-N 3.47Å; S221-C223 PolarHBondContact OG-N 2.88Å; S221-Y224 WeakPolarHBondContact O-CB 3.31Å; S221-Y224 PolarHBondContact O-N 3.43Å; S221-Y224 PolarHBondContact OG-N 2.85Å; S221-P225 WeakPolarHBondContact O-CD 3.48Å; S221-C363 PolarHBondContact OG-O 3.21Å
222	A	43.2	Very low	39.3	Very low	46 Å²	46	78.3 Å²	78.3	38%	0.38	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.5	172.2	0	0	0	0	0	112.2
223	C	40.4	Very low	40	Very low	18 Å²	18	80.3 Å²	80.3	12%	0.122	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-14.4	175.2	-70.3	0	0	0	0	113.8	S221 F226 I227 C363	S221-C223 PolarHBondContact O-N 3.47Å; S221-C223 PolarHBondContact OG-N 2.88Å; C223-F226 PolarHBondContact O-N 3.11Å; C223-I227 HydrophobicContact CB-CD1 3.82Å; C223-I227 HydrophobicContact CB-CG1 4.28Å; C223-I227 WeakPolarHBondContact O-CB 3.48Å; C223-I227 WeakPolarHBondContact O-CG1 3.4Å; C223-I227 PolarHBondContact O-N 3.32Å; C223-C363 HydrophobicContact CB-CB 3.61Å; C223-C363 WeakPolarHBondContact CB-SG 3.36Å; C223-C363 WeakPolarHBondContact SG-CA 3.34Å; C223-C363 WeakPolarHBondContact SG-CB 3.36Å; C223-C363 CovalentContact SG-SG 2.05Å; C223-C363 PolarHBondContact SG-SG 3.34Å
224	Y	46.1	Very low	40.5	Very low	64 Å²	64	79 Å²	79	25%	0.251	42%	0.423	S	S	.	.	H	α-helix	trans	-59.4	-45.5	-176.1	-178.4	-91.5	0	0	0	113.3	K219 S221 F226 K228	K219-Y224 HydrophobicContact CB-CD1 4.19Å; K219-Y224 HydrophobicContact CB-CE1 4.13Å; K219-Y224 HydrophobicContact CB-CG 4.45Å; K219-Y224 HydrophobicContact CD-CE1 4.42Å; K219-Y224 HydrophobicContact CG-CD1 4.34Å; K219-Y224 HydrophobicContact CG-CD2 4.4Å; K219-Y224 HydrophobicContact CG-CE1 3.83Å; K219-Y224 HydrophobicContact CG-CE2 3.88Å; S221-Y224 WeakPolarHBondContact O-CB 3.31Å; S221-Y224 PolarHBondContact O-N 3.43Å; S221-Y224 PolarHBondContact OG-N 2.85Å; Y224-F226 VanDerWaalsContact C-N 3.32Å; Y224-F226 PolarHBondContact O-N 3.46Å; Y224-K228 HydrophobicContact CE1-CD 4.07Å; Y224-K228 WeakPolarHBondContact O-CB 3.35Å; Y224-K228 PolarHBondContact O-N 3.19Å
225	P	44.8	Very low	41	Very low	79 Å²	79	83 Å²	83	51%	0.513	43%	0.427	S	S	.	.	H	α-helix	trans	-62.2	-39.5	175.8	-19.7	32	0	0	0	112.4	S221 N229	S221-P225 WeakPolarHBondContact O-CD 3.48Å; P225-N229 WeakPolarHBondContact O-CB 3.47Å; P225-N229 PolarHBondContact O-N 3.26Å
226	F	44.5	Very low	40.7	Very low	94 Å²	94	86.6 Å²	86.6	41%	0.412	44%	0.439	S	S	.	.	H	α-helix	trans	-70.9	-49	-179.6	-84.4	-81.4	0	0	0	112.6	C223 Y224 K228 N229 I230 S261	C223-F226 PolarHBondContact O-N 3.11Å; Y224-F226 VanDerWaalsContact C-N 3.32Å; Y224-F226 PolarHBondContact O-N 3.46Å; F226-K228 PolarHBondContact O-N 3.48Å; F226-N229 WeakPolarHBondContact O-CB 3.14Å; F226-N229 PolarHBondContact O-N 2.96Å; F226-I230 WeakPolarHBondContact O-CG1 3.46Å; F226-I230 PolarHBondContact O-N 3.45Å; F226-S261 WeakPolarHBondContact CE1-OG 3.38Å; F226-S261 WeakPolarHBondContact CZ-OG 3.08Å
227	I	42.9	Very low	40.2	Very low	55 Å²	55	83.6 Å²	83.6	28%	0.282	43%	0.43	S	S	.	.	H	α-helix	trans	-62.3	-35.9	175.3	-69	170.6	0	0	0	109.9	L217 C223 A231	L217-I227 HydrophobicContact CD1-CD1 3.41Å; L217-I227 VanDerWaalsContact CD1-CD1 3.41Å; C223-I227 HydrophobicContact CB-CD1 3.82Å; C223-I227 HydrophobicContact CB-CG1 4.28Å; C223-I227 WeakPolarHBondContact O-CB 3.48Å; C223-I227 WeakPolarHBondContact O-CG1 3.4Å; C223-I227 PolarHBondContact O-N 3.32Å; I227-A231 WeakPolarHBondContact O-CB 3.23Å; I227-A231 PolarHBondContact O-N 2.93Å
228	K	44.3	Very low	39.7	Very low	109 Å²	109	87 Å²	87	47%	0.474	44%	0.441	S	S	.	.	H	α-helix	trans	-65.7	-41.2	171.8	-173.5	-178.7	179.8	-168.5	0	112.1	Y224 F226 A231 N232	Y224-K228 HydrophobicContact CE1-CD 4.07Å; Y224-K228 WeakPolarHBondContact O-CB 3.35Å; Y224-K228 PolarHBondContact O-N 3.19Å; F226-K228 PolarHBondContact O-N 3.48Å; K228-A231 PolarHBondContact O-N 3.41Å; K228-N232 VanDerWaalsContact O-CB 3.26Å; K228-N232 WeakPolarHBondContact O-CB 3.41Å; K228-N232 PolarHBondContact O-N 3.27Å
229	N	43.9	Very low	38.8	Very low	108 Å²	108	89.5 Å²	89.5	58%	0.578	45%	0.451	S	S	*	.	H	α-helix	trans	-64.4	-45.6	176.9	-121.3	6.2	0	0	0	111.2	P225 F226 N232 E233	P225-N229 WeakPolarHBondContact O-CB 3.47Å; P225-N229 PolarHBondContact O-N 3.26Å; F226-N229 WeakPolarHBondContact O-CB 3.14Å; F226-N229 PolarHBondContact O-N 2.96Å; N229-N232 PolarHBondContact O-N 3.27Å; N229-E233 VanDerWaalsContact O-CB 3.31Å; N229-E233 WeakPolarHBondContact O-CB 3.38Å; N229-E233 PolarHBondContact O-N 2.95Å
230	I	37	Very low	38.1	Very low	35 Å²	35	87 Å²	87	18%	0.179	45%	0.445	C	S	.	.	H	α-helix	trans	-66.2	-42.1	176.7	-65	171.2	0	0	0	110.8	F226 N232 E233 Y234 Y238	F226-I230 WeakPolarHBondContact O-CG1 3.46Å; F226-I230 PolarHBondContact O-N 3.45Å; I230-N232 VanDerWaalsContact C-N 3.29Å; I230-N232 PolarHBondContact O-N 3.38Å; I230-E233 PolarHBondContact O-N 3.09Å; I230-Y234 HydrophobicContact CG2-CD2 3.95Å; I230-Y234 WeakPolarHBondContact O-CD2 3.46Å; I230-Y234 PolarHBondContact O-N 3.14Å; I230-Y238 HydrophobicContact CG2-CD2 4Å; I230-Y238 HydrophobicContact CG2-CE2 3.6Å
231	A	39.9	Very low	37.3	Very low	19 Å²	19	83.2 Å²	83.2	16%	0.157	42%	0.418	C	S	.	.	H	α-helix	trans	-65.3	-33.6	176	0	0	0	0	0	112.1	I227 K228 K235	I227-A231 WeakPolarHBondContact O-CB 3.23Å; I227-A231 PolarHBondContact O-N 2.93Å; K228-A231 PolarHBondContact O-N 3.41Å; A231-K235 CarbonylContact O-C 3.5Å; A231-K235 WeakPolarHBondContact O-CA 3.46Å; A231-K235 PolarHBondContact O-N 3.44Å
232	N	41.1	Very low	36.4	Very low	108 Å²	108	91.2 Å²	91.2	58%	0.578	45%	0.454	S	S	*	.	H	α-helix	trans	-71.9	-38.5	172.7	-78.2	-9	0	0	0	111.9	K228 N229 I230	K228-N232 VanDerWaalsContact O-CB 3.26Å; K228-N232 WeakPolarHBondContact O-CB 3.41Å; K228-N232 PolarHBondContact O-N 3.27Å; N229-N232 PolarHBondContact O-N 3.27Å; I230-N232 VanDerWaalsContact C-N 3.29Å; I230-N232 PolarHBondContact O-N 3.38Å
233	E	39.5	Very low	35.6	Very low	117 Å²	117	93 Å²	93	55%	0.547	46%	0.464	S	S	.	.	H	α-helix	trans	-72	-40.3	-179	-167.7	-178	159.8	0	0	111.8	N229 I230	N229-E233 VanDerWaalsContact O-CB 3.31Å; N229-E233 WeakPolarHBondContact O-CB 3.38Å; N229-E233 PolarHBondContact O-N 2.95Å; I230-E233 PolarHBondContact O-N 3.09Å
234	Y	37.8	Very low	35.1	Very low	107 Å²	107	100.5 Å²	100.5	42%	0.42	49%	0.49	S	S	.	.	H	α-helix	trans	-111.8	12.2	-175.1	-60.3	-80.9	0	0	0	114	I230 E236	I230-Y234 HydrophobicContact CG2-CD2 3.95Å; I230-Y234 WeakPolarHBondContact O-CD2 3.46Å; I230-Y234 PolarHBondContact O-N 3.14Å; Y234-E236 PolarHBondContact O-N 3.09Å
235	K	36.7	Very low	34.5	Very low	188 Å²	188	99.2 Å²	99.2	82%	0.817	49%	0.487	S	S	*	.	S	Bend	trans	57.3	10.7	172.1	-67.1	-173.4	178.8	178.7	0	118	A231	A231-K235 CarbonylContact O-C 3.5Å; A231-K235 WeakPolarHBondContact O-CA 3.46Å; A231-K235 PolarHBondContact O-N 3.44Å
236	E	28.3	Very low	34.2	Very low	149 Å²	149	105.4 Å²	105.4	70%	0.696	50%	0.502	S	S	*	.	S	Bend	trans	-138.6	135.2	171	-69.1	-169	169.2	0	0	112.6	Y234 Y238	Y234-E236 PolarHBondContact O-N 3.09Å; E236-Y238 PolarHBondContact O-N 2.87Å
237	P	25.9	Very low	33.9	Very low	94 Å²	94	103.4 Å²	103.4	61%	0.61	50%	0.499	S	S	*	.			trans	-70.4	123.1	172.6	27.3	-29.8	0	0	0	109.9	L239	P237-L239 VanDerWaalsContact C-N 3.33Å; P237-L239 PolarHBondContact O-N 3.23Å
238	Y	27.1	Very low	34.2	Very low	114 Å²	114	104 Å²	104	45%	0.447	50%	0.503	S	S	.	.			trans	-60.9	91.2	174.6	-84.9	-95.6	0	0	0	111	I230 E236	I230-Y238 HydrophobicContact CG2-CD2 4Å; I230-Y238 HydrophobicContact CG2-CE2 3.6Å; E236-Y238 PolarHBondContact O-N 2.87Å
239	L	24.7	Very low	34.4	Very low	97 Å²	97	105.9 Å²	105.9	51%	0.508	51%	0.513	S	S	.	.			trans	-70	120	152.7	-93.7	125	0	0	0	107	P237 S241	P237-L239 VanDerWaalsContact C-N 3.33Å; P237-L239 PolarHBondContact O-N 3.23Å; L239-S241 PolarHBondContact O-N 3.47Å
240	I	28.5	Very low	34.5	Very low	116 Å²	116	105.7 Å²	105.7	60%	0.595	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	42.1	-179.6	-44.6	173.2	0	0	0	111.2	L356	I240-L356 HydrophobicContact CB-CD2 3.89Å; I240-L356 HydrophobicContact CD1-CD2 3.81Å; I240-L356 HydrophobicContact CG1-CD2 4.45Å; I240-L356 HydrophobicContact CG2-CD2 3.54Å; I240-L356 HydrophobicContact CG2-CG 4.46Å
241	S	25.6	Very low	34.9	Very low	20 Å²	20	104.1 Å²	104.1	14%	0.14	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.5	6.3	-165.9	72.2	0	0	0	0	117.3	C210 L239	C210-S241 PolarHBondContact SG-O 3.13Å; C210-S241 VanDerWaalsContact SG-O 3.35Å; L239-S241 PolarHBondContact O-N 3.47Å
242	Q	23.2	Very low	35.5	Very low	178 Å²	178	104.4 Å²	104.4	83%	0.832	50%	0.502	S	S	*	.	S	Bend	trans	-135.5	-6.1	-173.2	-71.6	-166	-9.3	0	0	119.4
243	S	26.5	Very low	36	Very low	83 Å²	83	103.3 Å²	103.3	58%	0.58	49%	0.494	S	S	*	.			trans	-145.3	116.3	179.4	50.4	0	0	0	0	111.7	L245	S243-L245 PolarHBondContact O-N 3.49Å; S243-L245 VanDerWaalsContact O-N 3.16Å
244	R	29.9	Very low	36.4	Very low	177 Å²	177	99 Å²	99	67%	0.668	48%	0.478	S	S	*	.			trans	-53.8	120.2	138.2	-107.2	-178	177.3	160.7	0.3	104.4	Y246	R244-Y246 VanDerWaalsContact C-N 3.29Å; R244-Y246 HydrophobicContact CB-CD2 4.32Å; R244-Y246 HydrophobicContact CB-CE2 3.94Å; R244-Y246 WeakPolarHBondContact O-CD2 3.41Å; R244-Y246 PolarHBondContact O-N 2.9Å
245	L	32.8	Very low	37.1	Very low	37 Å²	37	94.3 Å²	94.3	19%	0.194	46%	0.46	C	S	.	.			trans	-62.3	88.6	-176.3	-83.2	167.9	0	0	0	108.9	S243 S251 Y325	S243-L245 PolarHBondContact O-N 3.49Å; S243-L245 VanDerWaalsContact O-N 3.16Å; L245-S251 WeakPolarHBondContact CB-OG 3.44Å; L245-S251 WeakPolarHBondContact CD2-OG 3.45Å; L245-Y325 HydrophobicContact CB-CD1 3.93Å; L245-Y325 HydrophobicContact CB-CG 4.37Å; L245-Y325 HydrophobicContact CD1-CD1 4.5Å
246	Y	39	Very low	38.1	Very low	209 Å²	209	90.3 Å²	90.3	82%	0.82	44%	0.443	S	S	*	.			trans	-79.5	-17.5	-174.3	-81.2	-77.4	0	0	0	113	R244	R244-Y246 VanDerWaalsContact C-N 3.29Å; R244-Y246 HydrophobicContact CB-CD2 4.32Å; R244-Y246 HydrophobicContact CB-CE2 3.94Å; R244-Y246 WeakPolarHBondContact O-CD2 3.41Å; R244-Y246 PolarHBondContact O-N 2.9Å
247	S	38.6	Very low	39.3	Very low	52 Å²	52	85.2 Å²	85.2	36%	0.364	42%	0.421	S	S	.	.			trans	-99.5	107.4	179.5	162.7	0	0	0	0	110	E249 S251	S247-E249 VanDerWaalsContact C-N 3.29Å; S247-E249 PolarHBondContact O-N 3.13Å; S247-S251 WeakPolarHBondContact O-CB 3.48Å; S247-S251 PolarHBondContact O-N 3.41Å; S247-S251 VanDerWaalsContact O-N 3.15Å; S247-S251 PolarHBondContact O-OG 2.87Å
248	N	48	Very low	40.4	Very low	66 Å²	66	83 Å²	83	35%	0.353	40%	0.403	S	S	.	.	H	α-helix	trans	-59.1	-38.8	-173.9	-150.3	16.4	0	0	0	111.7	N252 Y325	N248-N252 WeakPolarHBondContact O-CA 3.43Å; N248-N252 WeakPolarHBondContact O-CB 3.35Å; N248-N252 PolarHBondContact O-N 3.37Å; N248-N252 PolarHBondContact O-ND2 2.97Å; N248-N252 PolarHBondContact OD1-ND2 2.91Å; N248-Y325 WeakPolarHBondContact OD1-CE2 3.36Å; N248-Y325 VanDerWaalsContact OD1-CZ 3.23Å; N248-Y325 PolarHBondContact OD1-OH 2.95Å
249	E	48.4	Very low	42.1	Very low	149 Å²	149	77.9 Å²	77.9	70%	0.696	38%	0.383	S	S	*	.	H	α-helix	trans	-73.9	-49.6	-176.7	-81.7	-178.3	157.5	0	0	114.2	S247 S251 N252 Q253	S247-E249 VanDerWaalsContact C-N 3.29Å; S247-E249 PolarHBondContact O-N 3.13Å; E249-S251 VanDerWaalsContact C-N 3.25Å; E249-S251 PolarHBondContact O-N 3.23Å; E249-N252 PolarHBondContact O-N 2.68Å; E249-Q253 WeakPolarHBondContact O-CB 3.32Å; E249-Q253 PolarHBondContact O-N 3.43Å
250	I	47.1	Very low	43.7	Very low	105 Å²	105	76.1 Å²	76.1	54%	0.538	38%	0.377	S	S	.	.	H	α-helix	trans	-63.3	-41	-179.5	-61.2	172.9	0	0	0	109.6	Q253 A254	I250-Q253 PolarHBondContact O-N 2.94Å; I250-A254 WeakPolarHBondContact O-CB 3.43Å; I250-A254 PolarHBondContact O-N 3.16Å
251	S	45.5	Very low	44.7	Very low	2 Å²	2	71.1 Å²	71.1	1%	0.014	35%	0.352	C	S	.	.	H	α-helix	trans	-68.6	-44	178.9	-48.9	0	0	0	0	111.4	L245 S247 E249 Q253 A254 V255	L245-S251 WeakPolarHBondContact CB-OG 3.44Å; L245-S251 WeakPolarHBondContact CD2-OG 3.45Å; S247-S251 WeakPolarHBondContact O-CB 3.48Å; S247-S251 PolarHBondContact O-N 3.41Å; S247-S251 VanDerWaalsContact O-N 3.15Å; S247-S251 PolarHBondContact O-OG 2.87Å; E249-S251 VanDerWaalsContact C-N 3.25Å; E249-S251 PolarHBondContact O-N 3.23Å; S251-Q253 VanDerWaalsContact C-N 3.32Å; S251-Q253 PolarHBondContact O-N 3.24Å; S251-A254 PolarHBondContact O-N 3.37Å; S251-V255 WeakPolarHBondContact O-CB 3.27Å; S251-V255 VanDerWaalsContact O-CG2 3.23Å; S251-V255 WeakPolarHBondContact O-CG2 3.1Å; S251-V255 PolarHBondContact O-N 3.14Å
252	N	50.7	Low	46.1	Very low	25 Å²	25	70.8 Å²	70.8	13%	0.134	35%	0.348	C	S	.	.	H	α-helix	trans	-62.3	-41.4	173.4	-82.1	-35.5	0	0	0	110.9	N248 E249 K256 Y325 I330	N248-N252 WeakPolarHBondContact O-CA 3.43Å; N248-N252 WeakPolarHBondContact O-CB 3.35Å; N248-N252 PolarHBondContact O-N 3.37Å; N248-N252 PolarHBondContact O-ND2 2.97Å; N248-N252 PolarHBondContact OD1-ND2 2.91Å; E249-N252 PolarHBondContact O-N 2.68Å; N252-K256 WeakPolarHBondContact O-CA 3.36Å; N252-K256 WeakPolarHBondContact O-CB 3.31Å; N252-K256 PolarHBondContact O-N 3.19Å; N252-Y325 PolarHBondContact OD1-OH 3.12Å; N252-I330 HydrophobicContact CB-CD1 4.41Å; N252-I330 VanDerWaalsContact O-CD1 3.23Å; N252-I330 WeakPolarHBondContact O-CD1 3.42Å
253	Q	53.4	Low	47.9	Very low	85 Å²	85	63.8 Å²	63.8	40%	0.397	32%	0.316	S	S	.	.	H	α-helix	trans	-65.7	-43	178.3	-168.6	65.2	10.7	0	0	111.1	E249 I250 S251 K256 N257	E249-Q253 WeakPolarHBondContact O-CB 3.32Å; E249-Q253 PolarHBondContact O-N 3.43Å; I250-Q253 PolarHBondContact O-N 2.94Å; S251-Q253 VanDerWaalsContact C-N 3.32Å; S251-Q253 PolarHBondContact O-N 3.24Å; Q253-K256 PolarHBondContact O-N 3.08Å; Q253-N257 VanDerWaalsContact O-CB 3.31Å; Q253-N257 WeakPolarHBondContact O-CB 3.46Å; Q253-N257 PolarHBondContact O-N 3.02Å; Q253-N257 PolarHBondContact O-ND2 3.28Å; Q253-N257 PolarHBondContact O-OD1 3.26Å
254	A	47.7	Very low	49.1	Very low	25 Å²	25	64.4 Å²	64.4	21%	0.207	31%	0.313	C	S	.	.	H	α-helix	trans	-63.8	-46.5	176.4	0	0	0	0	0	112.5	I250 S251 K256 N257 L258	I250-A254 WeakPolarHBondContact O-CB 3.43Å; I250-A254 PolarHBondContact O-N 3.16Å; S251-A254 PolarHBondContact O-N 3.37Å; A254-K256 VanDerWaalsContact C-N 3.32Å; A254-K256 PolarHBondContact O-N 3.31Å; A254-N257 PolarHBondContact O-N 3.32Å; A254-L258 WeakPolarHBondContact O-CB 3.38Å; A254-L258 PolarHBondContact O-N 3.22Å
255	V	50.8	Low	49.8	Very low	9 Å²	9	59.5 Å²	59.5	6%	0.055	30%	0.299	C	S	.	.	H	α-helix	trans	-66.9	-35.8	176.9	177	0	0	0	0	110.6	S251 L258 F259 I330	S251-V255 WeakPolarHBondContact O-CB 3.27Å; S251-V255 VanDerWaalsContact O-CG2 3.23Å; S251-V255 WeakPolarHBondContact O-CG2 3.1Å; S251-V255 PolarHBondContact O-N 3.14Å; V255-L258 WeakPolarHBondContact O-CB 2.93Å; V255-L258 PolarHBondContact O-N 2.71Å; V255-F259 HydrophobicContact CG1-CD1 4.08Å; V255-F259 HydrophobicContact CG1-CD2 4Å; V255-F259 HydrophobicContact CG1-CE1 3.58Å; V255-F259 HydrophobicContact CG1-CE2 3.46Å; V255-F259 VanDerWaalsContact CG1-CE2 3.46Å; V255-F259 HydrophobicContact CG1-CG 4.27Å; V255-F259 HydrophobicContact CG1-CZ 3.22Å; V255-F259 WeakPolarHBondContact O-CB 3.4Å; V255-F259 VanDerWaalsContact O-CD1 3.28Å; V255-F259 WeakPolarHBondContact O-CD1 3.05Å; V255-F259 WeakPolarHBondContact O-CG 3.47Å; V255-F259 PolarHBondContact O-N 2.8Å; V255-I330 HydrophobicContact CB-CD1 3.42Å; V255-I330 VanDerWaalsContact CB-CD1 3.42Å; V255-I330 HydrophobicContact CG1-CD1 3.37Å
256	K	59.1	Low	50.5	Low	105 Å²	105	58.6 Å²	58.6	46%	0.457	30%	0.295	S	S	.	.	H	α-helix	trans	-67.3	-41.4	175.5	-177.1	-179	177.8	-174.8	0	111	N252 Q253 A254 L258 F259 T260 I330	N252-K256 WeakPolarHBondContact O-CA 3.36Å; N252-K256 WeakPolarHBondContact O-CB 3.31Å; N252-K256 PolarHBondContact O-N 3.19Å; Q253-K256 PolarHBondContact O-N 3.08Å; A254-K256 VanDerWaalsContact C-N 3.32Å; A254-K256 PolarHBondContact O-N 3.31Å; K256-L258 VanDerWaalsContact C-N 3.35Å; K256-F259 PolarHBondContact O-N 3.28Å; K256-T260 WeakPolarHBondContact O-CB 3.32Å; K256-T260 WeakPolarHBondContact O-CG2 3.43Å; K256-T260 PolarHBondContact O-N 3.49Å; K256-T260 PolarHBondContact O-OG1 2.87Å; K256-I330 HydrophobicContact CB-CD1 4Å; K256-I330 HydrophobicContact CB-CG1 4.28Å; K256-I330 HydrophobicContact CB-CG2 4.49Å
257	N	52.5	Low	50.9	Low	42 Å²	42	50.9 Å²	50.9	23%	0.225	27%	0.271	C	S	.	.	H	α-helix	trans	-63.8	-40.2	174	-70.6	-5.4	0	0	0	111.4	Q253 A254 T260 S261	Q253-N257 VanDerWaalsContact O-CB 3.31Å; Q253-N257 WeakPolarHBondContact O-CB 3.46Å; Q253-N257 PolarHBondContact O-N 3.02Å; Q253-N257 PolarHBondContact O-ND2 3.28Å; Q253-N257 PolarHBondContact O-OD1 3.26Å; A254-N257 PolarHBondContact O-N 3.32Å; N257-T260 VanDerWaalsContact CA-OG1 3.25Å; N257-T260 WeakPolarHBondContact CA-OG1 3.48Å; N257-T260 PolarHBondContact O-OG1 3.37Å; N257-S261 VanDerWaalsContact O-CB 3.28Å; N257-S261 WeakPolarHBondContact O-CB 3.48Å; N257-S261 PolarHBondContact O-N 3.42Å
258	L	49	Very low	50.9	Low	48 Å²	48	51.8 Å²	51.8	25%	0.251	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-46.3	172.5	-175.8	79.3	0	0	0	111.2	A254 V255 K256 S261 W262 T320	A254-L258 WeakPolarHBondContact O-CB 3.38Å; A254-L258 PolarHBondContact O-N 3.22Å; V255-L258 WeakPolarHBondContact O-CB 2.93Å; V255-L258 PolarHBondContact O-N 2.71Å; K256-L258 VanDerWaalsContact C-N 3.35Å; L258-S261 WeakPolarHBondContact O-CB 3.28Å; L258-S261 PolarHBondContact O-N 3.28Å; L258-W262 HydrophobicContact CD1-CZ2 4.22Å; L258-W262 HydrophobicContact CD2-CH2 4.05Å; L258-W262 HydrophobicContact CD2-CZ2 3.72Å; L258-W262 HydrophobicContact CG-CD2 4.5Å; L258-W262 HydrophobicContact CG-CZ2 3.91Å; L258-W262 VanDerWaalsContact O-CD1 3.32Å; L258-W262 PolarHBondContact O-N 3.36Å; L258-T320 HydrophobicContact CD2-CG2 4.2Å
259	F	62.5	Low	50.6	Low	5 Å²	5	51.9 Å²	51.9	2%	0.022	28%	0.284	C	S	.	.	H	α-helix	trans	-70.8	-39.8	-176.2	-72	2.9	0	0	0	112.8	V255 K256 S261 W262 D263 K317 T320 C321 I330 T331	V255-F259 HydrophobicContact CG1-CD1 4.08Å; V255-F259 HydrophobicContact CG1-CD2 4Å; V255-F259 HydrophobicContact CG1-CE1 3.58Å; V255-F259 HydrophobicContact CG1-CE2 3.46Å; V255-F259 VanDerWaalsContact CG1-CE2 3.46Å; V255-F259 HydrophobicContact CG1-CG 4.27Å; V255-F259 HydrophobicContact CG1-CZ 3.22Å; V255-F259 WeakPolarHBondContact O-CB 3.4Å; V255-F259 VanDerWaalsContact O-CD1 3.28Å; V255-F259 WeakPolarHBondContact O-CD1 3.05Å; V255-F259 WeakPolarHBondContact O-CG 3.47Å; V255-F259 PolarHBondContact O-N 2.8Å; K256-F259 PolarHBondContact O-N 3.28Å; F259-S261 VanDerWaalsContact C-N 3.34Å; F259-W262 HydrophobicContact CD1-CE3 4.07Å; F259-W262 HydrophobicContact CD1-CZ3 4.1Å; F259-W262 HydrophobicContact CE1-CE3 4.42Å; F259-W262 HydrophobicContact CE1-CH2 4.45Å; F259-W262 AromaticContact CE1-CZ3 3.99Å; F259-W262 HydrophobicContact CE1-CZ3 3.99Å; F259-W262 PolarHBondContact O-N 2.87Å; F259-D263 VanDerWaalsContact O-CG 3.26Å; F259-D263 PolarHBondContact O-N 2.81Å; F259-D263 VanDerWaalsContact O-OD2 3.1Å; F259-K317 HydrophobicContact CB-CD 4.1Å; F259-K317 HydrophobicContact CB-CG 4.38Å; F259-K317 HydrophobicContact CD1-CB 4.23Å; F259-K317 HydrophobicContact CD1-CD 4.27Å; F259-K317 HydrophobicContact CD1-CG 3.62Å; F259-K317 HydrophobicContact CD2-CB 4.12Å; F259-K317 HydrophobicContact CD2-CD 3.96Å; F259-K317 HydrophobicContact CD2-CG 3.93Å; F259-K317 HydrophobicContact CE1-CB 3.9Å; F259-K317 HydrophobicContact CE1-CG 3.78Å; F259-K317 HydrophobicContact CE2-CB 3.81Å; F259-K317 HydrophobicContact CE2-CD 4.49Å; F259-K317 HydrophobicContact CE2-CG 4.11Å; F259-K317 HydrophobicContact CG-CB 4.34Å; F259-K317 HydrophobicContact CG-CD 3.86Å; F259-K317 HydrophobicContact CG-CG 3.71Å; F259-K317 HydrophobicContact CZ-CB 3.69Å; F259-K317 HydrophobicContact CZ-CG 4.03Å; F259-K317 VanDerWaalsContact CZ-O 3.23Å; F259-K317 WeakPolarHBondContact CZ-O 3.21Å; F259-K317 WeakPolarHBondContact O-CE 3.43Å; F259-K317 PolarHBondContact O-NZ 3.23Å; F259-T320 HydrophobicContact CE1-CG2 4.34Å; F259-C321 HydrophobicContact CE2-CB 4.29Å; F259-C321 HydrophobicContact CZ-CB 4.05Å; F259-I330 HydrophobicContact CD2-CB 4.13Å; F259-I330 HydrophobicContact CD2-CG2 3.54Å; F259-I330 HydrophobicContact CE2-CB 4.17Å; F259-I330 HydrophobicContact CE2-CG2 4.09Å; F259-T331 HydrophobicContact CE2-CG2 4.09Å
260	T	58.2	Low	50.1	Low	60 Å²	60	49.9 Å²	49.9	37%	0.368	28%	0.275	S	S	.	.	H	α-helix	trans	-63	-41.2	171.9	44.4	0	0	0	0	110.9	K256 N257 W262 D263 D264	K256-T260 WeakPolarHBondContact O-CB 3.32Å; K256-T260 WeakPolarHBondContact O-CG2 3.43Å; K256-T260 PolarHBondContact O-N 3.49Å; K256-T260 PolarHBondContact O-OG1 2.87Å; N257-T260 VanDerWaalsContact CA-OG1 3.25Å; N257-T260 WeakPolarHBondContact CA-OG1 3.48Å; N257-T260 PolarHBondContact O-OG1 3.37Å; T260-W262 VanDerWaalsContact C-N 3.31Å; T260-W262 PolarHBondContact O-N 3.29Å; T260-D263 PolarHBondContact O-N 2.97Å; T260-D263 VanDerWaalsContact O-N 3.15Å; T260-D264 WeakPolarHBondContact O-CB 3.49Å; T260-D264 PolarHBondContact O-N 2.84Å
261	S	50.5	Low	49.4	Very low	12 Å²	12	53.3 Å²	53.3	8%	0.084	28%	0.283	C	S	.	.	H	α-helix	trans	-59.2	-40.1	172.6	178.9	0	0	0	0	112.6	F226 N257 L258 F259 D264 L265	F226-S261 WeakPolarHBondContact CE1-OG 3.38Å; F226-S261 WeakPolarHBondContact CZ-OG 3.08Å; N257-S261 VanDerWaalsContact O-CB 3.28Å; N257-S261 WeakPolarHBondContact O-CB 3.48Å; N257-S261 PolarHBondContact O-N 3.42Å; L258-S261 WeakPolarHBondContact O-CB 3.28Å; L258-S261 PolarHBondContact O-N 3.28Å; F259-S261 VanDerWaalsContact C-N 3.34Å; S261-D264 PolarHBondContact O-N 2.88Å; S261-L265 WeakPolarHBondContact O-CB 3.42Å; S261-L265 PolarHBondContact O-N 2.95Å
262	W	54.4	Low	48.7	Very low	12 Å²	12	59 Å²	59	5%	0.045	31%	0.313	C	S	.	.	H	α-helix	trans	-66.7	-37.4	175.1	-66.6	-3.1	0	0	0	112.8	L258 F259 T260 L265 L266 I313 A316 K317 F362	L258-W262 HydrophobicContact CD1-CZ2 4.22Å; L258-W262 HydrophobicContact CD2-CH2 4.05Å; L258-W262 HydrophobicContact CD2-CZ2 3.72Å; L258-W262 HydrophobicContact CG-CD2 4.5Å; L258-W262 HydrophobicContact CG-CZ2 3.91Å; L258-W262 VanDerWaalsContact O-CD1 3.32Å; L258-W262 PolarHBondContact O-N 3.36Å; F259-W262 HydrophobicContact CD1-CE3 4.07Å; F259-W262 HydrophobicContact CD1-CZ3 4.1Å; F259-W262 HydrophobicContact CE1-CE3 4.42Å; F259-W262 HydrophobicContact CE1-CH2 4.45Å; F259-W262 AromaticContact CE1-CZ3 3.99Å; F259-W262 HydrophobicContact CE1-CZ3 3.99Å; F259-W262 PolarHBondContact O-N 2.87Å; T260-W262 VanDerWaalsContact C-N 3.31Å; T260-W262 PolarHBondContact O-N 3.29Å; W262-L265 WeakPolarHBondContact O-CB 3.46Å; W262-L265 PolarHBondContact O-N 3.19Å; W262-L266 PolarHBondContact O-N 3.02Å; W262-I313 HydrophobicContact CB-CD1 4.47Å; W262-I313 HydrophobicContact CB-CG2 4.08Å; W262-I313 HydrophobicContact CE3-CG2 4.34Å; W262-A316 HydrophobicContact CH2-CB 4.22Å; W262-A316 HydrophobicContact CZ3-CB 3.81Å; W262-K317 HydrophobicContact CE3-CG 3.58Å; W262-K317 HydrophobicContact CZ3-CB 4.41Å; W262-K317 HydrophobicContact CZ3-CG 3.75Å; W262-F362 HydrophobicContact CZ2-CG 4.44Å
263	D	60.8	Low	47.8	Very low	32 Å²	32	62 Å²	62	17%	0.171	34%	0.335	C	S	.	.	H	α-helix	trans	-68.9	-39.6	175.2	-64.6	-32.5	0	0	0	112.3	F259 T260 L265 L266 S267 W310 K317	F259-D263 VanDerWaalsContact O-CG 3.26Å; F259-D263 PolarHBondContact O-N 2.81Å; F259-D263 VanDerWaalsContact O-OD2 3.1Å; T260-D263 PolarHBondContact O-N 2.97Å; T260-D263 VanDerWaalsContact O-N 3.15Å; D263-L265 VanDerWaalsContact C-N 3.3Å; D263-L265 PolarHBondContact O-N 3.15Å; D263-L266 WeakPolarHBondContact O-CB 3.34Å; D263-L266 PolarHBondContact O-N 3.47Å; D263-S267 PolarHBondContact O-N 3.36Å; D263-S267 PolarHBondContact O-OG 2.97Å; D263-W310 HydrophobicContact CB-CH2 4.11Å; D263-W310 WeakPolarHBondContact OD1-CZ3 3.4Å; D263-K317 WeakPolarHBondContact OD1-CE 3.28Å; D263-K317 IonicContact OD1-NZ 3.29Å; D263-K317 PolarHBondContact OD1-NZ 2.85Å; D263-K317 IonicContact OD2-NZ 2.88Å; D263-K317 PolarHBondContact OD2-NZ 2.83Å
264	D	52.2	Low	46.8	Very low	95 Å²	95	64.8 Å²	64.8	51%	0.508	35%	0.349	S	S	.	.	H	α-helix	trans	-64.8	-36.5	175.1	-76.5	-16.9	0	0	0	111.1	T260 S261 L266 S267 S268	T260-D264 WeakPolarHBondContact O-CB 3.49Å; T260-D264 PolarHBondContact O-N 2.84Å; S261-D264 PolarHBondContact O-N 2.88Å; D264-L266 VanDerWaalsContact C-N 3.35Å; D264-L266 PolarHBondContact O-N 2.79Å; D264-S267 PolarHBondContact O-N 2.91Å; D264-S268 VanDerWaalsContact O-CB 3.31Å; D264-S268 WeakPolarHBondContact O-CB 3.36Å; D264-S268 PolarHBondContact O-N 3Å; D264-S268 PolarHBondContact O-OG 2.78Å
265	L	44.7	Very low	45.8	Very low	74 Å²	74	66.9 Å²	66.9	39%	0.387	36%	0.362	S	S	.	.	H	α-helix	trans	-60.8	-43	174.7	-122.1	155.6	0	0	0	111.7	S261 W262 D263 S269 L367	S261-L265 WeakPolarHBondContact O-CB 3.42Å; S261-L265 PolarHBondContact O-N 2.95Å; W262-L265 WeakPolarHBondContact O-CB 3.46Å; W262-L265 PolarHBondContact O-N 3.19Å; D263-L265 VanDerWaalsContact C-N 3.3Å; D263-L265 PolarHBondContact O-N 3.15Å; L265-S269 PolarHBondContact O-N 2Å; L265-L367 HydrophobicContact CD2-CD1 3.42Å; L265-L367 VanDerWaalsContact CD2-CD1 3.42Å
266	L	47.9	Very low	44.7	Very low	18 Å²	18	72.9 Å²	72.9	9%	0.094	39%	0.394	C	S	.	.	H	α-helix	trans	-64	-47.5	172.5	-80.1	167.3	0	0	0	111.7	W262 D263 D264 S268 S269 M270 A309 W310 I313	W262-L266 PolarHBondContact O-N 3.02Å; D263-L266 WeakPolarHBondContact O-CB 3.34Å; D263-L266 PolarHBondContact O-N 3.47Å; D264-L266 VanDerWaalsContact C-N 3.35Å; D264-L266 PolarHBondContact O-N 2.79Å; L266-S268 VanDerWaalsContact C-N 3.34Å; L266-S268 PolarHBondContact O-N 2.94Å; L266-S269 PolarHBondContact O-N 3.45Å; L266-S269 PolarHBondContact O-OG 2.92Å; L266-M270 PolarHBondContact O-N 2.7Å; L266-A309 HydrophobicContact CD2-CB 3.35Å; L266-W310 HydrophobicContact CD1-CD2 3.74Å; L266-W310 HydrophobicContact CD1-CE3 4.1Å; L266-W310 HydrophobicContact CD1-CG 4.01Å; L266-W310 HydrophobicContact CD1-CZ2 4.29Å; L266-I313 HydrophobicContact CD1-CB 4.15Å; L266-I313 HydrophobicContact CD1-CD1 3.32Å; L266-I313 HydrophobicContact CD1-CG1 4.28Å; L266-I313 HydrophobicContact CD1-CG2 4.27Å; L266-I313 HydrophobicContact CD2-CD1 3.99Å; L266-I313 HydrophobicContact CG-CD1 3.41Å; L266-I313 VanDerWaalsContact CG-CD1 3.41Å
267	S	47.3	Very low	43.1	Very low	47 Å²	47	75.2 Å²	75.2	33%	0.329	41%	0.411	S	S	.	.	H	α-helix	trans	-64.6	-37.9	-177.6	-57.9	0	0	0	0	112.2	D263 D264 S269 M270 Y271	D263-S267 PolarHBondContact O-N 3.36Å; D263-S267 PolarHBondContact O-OG 2.97Å; D264-S267 PolarHBondContact O-N 2.91Å; S267-S269 VanDerWaalsContact C-N 3.32Å; S267-S269 PolarHBondContact O-N 2.89Å; S267-M270 WeakPolarHBondContact O-CB 3.48Å; S267-M270 PolarHBondContact O-N 2.79Å; S267-M270 VanDerWaalsContact O-N 3.16Å; S267-Y271 PolarHBondContact O-N 3.42Å
268	S	39.3	Very low	41.8	Very low	71 Å²	71	83 Å²	83	50%	0.497	44%	0.438	S	S	.	.	H	α-helix	trans	-63.6	-37.8	175.8	-54.8	0	0	0	0	111.9	D264 L266 M270 Y271 L272	D264-S268 VanDerWaalsContact O-CB 3.31Å; D264-S268 WeakPolarHBondContact O-CB 3.36Å; D264-S268 PolarHBondContact O-N 3Å; D264-S268 PolarHBondContact O-OG 2.78Å; L266-S268 VanDerWaalsContact C-N 3.34Å; L266-S268 PolarHBondContact O-N 2.94Å; S268-M270 VanDerWaalsContact C-N 3.31Å; S268-M270 PolarHBondContact O-N 2.6Å; S268-Y271 PolarHBondContact O-N 3.31Å; S268-L272 PolarHBondContact O-N 3.14Å
269	S	40.4	Very low	40.7	Very low	68 Å²	68	89 Å²	89	48%	0.476	47%	0.47	S	S	.	.	H	α-helix	trans	-69.2	-29	175.8	77.7	0	0	0	0	112.5	L265 L266 S267 L272	L265-S269 PolarHBondContact O-N 2Å; L266-S269 PolarHBondContact O-N 3.45Å; L266-S269 PolarHBondContact O-OG 2.92Å; S267-S269 VanDerWaalsContact C-N 3.32Å; S267-S269 PolarHBondContact O-N 2.89Å; S269-L272 PolarHBondContact O-N 2.78Å
270	M	37.5	Very low	39.2	Very low	107 Å²	107	94 Å²	94	53%	0.527	51%	0.506	S	S	.	.	H	α-helix	trans	-68.1	-32.2	173.4	-71	-175.4	70.7	0	0	112.8	L266 S267 S268 S273	L266-M270 PolarHBondContact O-N 2.7Å; S267-M270 WeakPolarHBondContact O-CB 3.48Å; S267-M270 PolarHBondContact O-N 2.79Å; S267-M270 VanDerWaalsContact O-N 3.16Å; S268-M270 VanDerWaalsContact C-N 3.31Å; S268-M270 PolarHBondContact O-N 2.6Å; M270-S273 PolarHBondContact O-OG 3.4Å; M270-S273 VanDerWaalsContact O-OG 3.04Å
271	Y	32.7	Very low	37.7	Very low	177 Å²	177	99.1 Å²	99.1	69%	0.694	53%	0.531	S	S	*	.	H	α-helix	trans	-74.1	-32	176.2	-86.6	-78	0	0	0	112.9	S267 S268 S273 Q274	S267-Y271 PolarHBondContact O-N 3.42Å; S268-Y271 PolarHBondContact O-N 3.31Å; Y271-S273 VanDerWaalsContact C-N 3.27Å; Y271-S273 PolarHBondContact O-N 3.43Å; Y271-Q274 PolarHBondContact O-N 3.24Å
272	L	31.2	Very low	36.6	Very low	123 Å²	123	102.8 Å²	102.8	64%	0.644	56%	0.557	S	S	*	*	H	α-helix	trans	-70.1	-20.6	178.1	-78.7	163.5	0	0	0	113.5	S268 S269 S275	S268-L272 PolarHBondContact O-N 3.14Å; S269-L272 PolarHBondContact O-N 2.78Å; L272-S275 PolarHBondContact O-OG 2.78Å
273	S	32.2	Very low	35.2	Very low	87 Å²	87	112 Å²	112	61%	0.608	60%	0.597	S	S	*	*	H	α-helix	trans	-79.1	-20.2	174.4	69.5	0	0	0	0	113.4	M270 Y271	M270-S273 PolarHBondContact O-OG 3.4Å; M270-S273 VanDerWaalsContact O-OG 3.04Å; Y271-S273 VanDerWaalsContact C-N 3.27Å; Y271-S273 PolarHBondContact O-N 3.43Å
274	Q	31	Very low	33.6	Very low	144 Å²	144	119.9 Å²	119.9	67%	0.673	63%	0.63	S	S	*	*	H	α-helix	trans	-82.3	-24.4	176.6	-72.3	-170.3	-9.1	0	0	113.5	Y271 N276	Y271-Q274 PolarHBondContact O-N 3.24Å; Q274-N276 VanDerWaalsContact C-N 3.34Å; Q274-N276 PolarHBondContact O-N 3.05Å
275	S	26.9	Very low	32.4	Very low	69 Å²	69	120.4 Å²	120.4	48%	0.483	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.4	-8.1	-175	56.9	0	0	0	0	115.2	L272	L272-S275 PolarHBondContact O-OG 2.78Å
276	N	27.6	Very low	31.7	Very low	135 Å²	135	122.3 Å²	122.3	72%	0.722	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	14.5	-177	-82.5	-1.1	0	0	0	115.4	Q274 Y278	Q274-N276 VanDerWaalsContact C-N 3.34Å; Q274-N276 PolarHBondContact O-N 3.05Å; N276-Y278 PolarHBondContact O-N 3.08Å
277	N	26.9	Very low	30.6	Very low	154 Å²	154	128.8 Å²	128.8	82%	0.824	70%	0.695	S	S	*	*			trans	-77.3	6.8	170.2	-86.9	-11.7	0	0	0	114.6
278	Y	24.6	Very low	29.7	Very low	204 Å²	204	133 Å²	133	80%	0.8	72%	0.719	S	S	*	*			trans	-99.4	111.8	165.6	-76	-85.2	0	0	0	108.4	N276	N276-Y278 PolarHBondContact O-N 3.08Å
279	L	26.5	Very low	28.9	Very low	174 Å²	174	134.2 Å²	134.2	91%	0.911	73%	0.728	S	S	*	*			trans	132.9	77.2	157.2	-68.9	161.6	0	0	0	113.2
280	S	30.1	Very low	28.1	Very low	111 Å²	111	140.1 Å²	140.1	78%	0.776	75%	0.745	S	S	*	*			trans	-160.6	66.5	131.6	69.7	0	0	0	0	110.8	S282	S280-S282 PolarHBondContact O-N 3.46Å
281	D	26.7	Very low	27.7	Very low	167 Å²	167	141.6 Å²	141.6	89%	0.893	75%	0.754	S	S	*	*			trans	-68.9	67.6	160.5	-95.9	-37.1	0	0	0	110.1
282	S	28.5	Very low	27.2	Very low	90 Å²	90	143.4 Å²	143.4	63%	0.629	77%	0.766	S	S	*	*			trans	-159.8	42.1	173.8	76.5	0	0	0	0	115.8	S280	S280-S282 PolarHBondContact O-N 3.46Å
283	F	25.1	Very low	27	Very low	204 Å²	204	142.7 Å²	142.7	90%	0.895	77%	0.771	S	S	*	*			trans	-140.2	68.2	158.8	-93.1	-80.3	0	0	0	110.3
284	K	25.3	Very low	26.6	Very low	199 Å²	199	145.6 Å²	145.6	87%	0.865	78%	0.779	S	S	*	*			trans	-103.9	93.8	163.7	-81.5	-179	177.6	170.1	0	108.8
285	S	28.7	Very low	26.3	Very low	106 Å²	106	146.9 Å²	146.9	74%	0.741	79%	0.785	S	S	*	*			trans	-171.5	140	149.7	55	0	0	0	0	111.9
286	S	30	Very low	26.1	Very low	114 Å²	114	149.9 Å²	149.9	80%	0.797	80%	0.8	S	S	*	*			trans	72.6	91.7	179.5	65.4	0	0	0	0	116
287	N	25	Very low	26	Very low	153 Å²	153	148.1 Å²	148.1	82%	0.818	79%	0.794	S	S	*	*				47.9	98	84.2	-81.2	-8.1	0	0	0	113.9
288	T	27.4	Very low	25.9	Very low	136 Å²	136	147.8 Å²	147.8	83%	0.834	79%	0.792	S	S	*	*				164.6	136.6	107.4	39.3	0	0	0	0	111.1
289	S	23.6	Very low	25.9	Very low	97 Å²	97	143.9 Å²	143.9	68%	0.678	79%	0.79	S	S	*	*			trans	-47.7	140.3	171.2	53	0	0	0	0	114.9
290	F	23.2	Very low	25.7	Very low	192 Å²	192	141.7 Å²	141.7	84%	0.842	78%	0.778	S	S	*	*				166	149.9	111.1	-124.1	-102.5	0	0	0	112.5
291	I	27.5	Very low	25.7	Very low	138 Å²	138	141.8 Å²	141.8	71%	0.708	78%	0.778	S	S	*	*			trans	78.1	95.6	170.6	-46.7	167.6	0	0	0	113.5
292	K	23.1	Very low	25.7	Very low	215 Å²	215	141.5 Å²	141.5	94%	0.935	78%	0.776	S	S	*	*				46.3	65.8	59	-82.8	-168.2	-179.2	-178.8	0	114.2
293	S	26.9	Very low	25.7	Very low	107 Å²	107	140 Å²	140	75%	0.748	77%	0.765	S	S	*	*			trans	-126.1	117.6	148.5	56.4	0	0	0	0	109.3	H295	S293-H295 PolarHBondContact O-N 2.91Å
294	N	23.9	Very low	25.9	Very low	149 Å²	149	135.8 Å²	135.8	80%	0.797	75%	0.752	S	S	*	*			trans	-48.5	118.8	170.1	-66	-34.8	0	0	0	111.1
295	H	24.1	Very low	26.2	Very low	170 Å²	170	128.5 Å²	128.5	79%	0.787	73%	0.726	S	S	*	*			trans	-152.2	90.4	137.6	-101.3	-70.4	0	0	0	108.6	S293 V297	S293-H295 PolarHBondContact O-N 2.91Å; H295-V297 VanDerWaalsContact C-N 3.33Å; H295-V297 PolarHBondContact O-N 3.25Å; H295-V297 VanDerWaalsContact O-N 3.17Å
296	V	23.7	Very low	26.4	Very low	133 Å²	133	125.3 Å²	125.3	81%	0.806	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	85.4	166.3	175.2	0	0	0	0	106.9
297	V	24.4	Very low	26.6	Very low	97 Å²	97	122.7 Å²	122.7	59%	0.588	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.7	-1	162	-172.8	0	0	0	0	112.5	H295 T299	H295-V297 VanDerWaalsContact C-N 3.33Å; H295-V297 PolarHBondContact O-N 3.25Å; H295-V297 VanDerWaalsContact O-N 3.17Å; V297-T299 PolarHBondContact O-N 2.9Å
298	D	26.2	Very low	27.3	Very low	147 Å²	147	116.3 Å²	116.3	79%	0.786	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	31.2	-176	-67	-13.6	0	0	0	115.3
299	T	24.2	Very low	27.9	Very low	123 Å²	123	110.4 Å²	110.4	76%	0.755	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.8	10.5	178.2	-18.2	0	0	0	0	115	V297	V297-T299 PolarHBondContact O-N 2.9Å
300	I	23.1	Very low	28.9	Very low	128 Å²	128	109.8 Å²	109.8	66%	0.656	60%	0.6	S	S	*	*	S	Bend	trans	-102.9	-6	175.2	-62.1	179.2	0	0	0	113.1	L302 S303	I300-L302 PolarHBondContact O-N 3Å; I300-L302 VanDerWaalsContact O-N 3.1Å; I300-S303 PolarHBondContact O-OG 3.03Å; I300-S303 VanDerWaalsContact O-OG 3.07Å
301	S	29	Very low	29.8	Very low	112 Å²	112	109.2 Å²	109.2	78%	0.783	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-2.5	-175.8	53.1	0	0	0	0	116	S303	S301-S303 VanDerWaalsContact C-N 3.34Å; S301-S303 PolarHBondContact O-N 3.22Å
302	L	27.1	Very low	30.6	Very low	162 Å²	162	103.9 Å²	103.9	85%	0.848	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	8	177.4	-99.9	151.6	0	0	0	115.2	I300	I300-L302 PolarHBondContact O-N 3Å; I300-L302 VanDerWaalsContact O-N 3.1Å
303	S	28.6	Very low	31.8	Very low	58 Å²	58	94.5 Å²	94.5	41%	0.406	53%	0.527	S	S	.	.	S	Bend	trans	-123	0.8	-164.3	63.8	0	0	0	0	118.5	I300 S301 T307	I300-S303 PolarHBondContact O-OG 3.03Å; I300-S303 VanDerWaalsContact O-OG 3.07Å; S301-S303 VanDerWaalsContact C-N 3.34Å; S301-S303 PolarHBondContact O-N 3.22Å; S303-T307 WeakPolarHBondContact O-CG2 3.45Å
304	N	29.4	Very low	33.1	Very low	116 Å²	116	91.8 Å²	91.8	62%	0.62	50%	0.504	S	S	*	.	S	Bend	trans	-95.2	-33.7	-179	-75.4	-14.7	0	0	0	114.4	S306 T307	N304-S306 PolarHBondContact O-N 3.35Å; N304-T307 PolarHBondContact O-N 3.44Å; N304-T307 VanDerWaalsContact O-N 3.12Å; N304-T307 PolarHBondContact O-OG1 2.63Å
305	S	30.8	Very low	34.2	Very low	45 Å²	45	89.5 Å²	89.5	32%	0.315	49%	0.491	S	S	.	.	H	α-helix	trans	-72.1	-33.9	-169.9	64.9	0	0	0	0	114.6	T307 L379	S305-T307 VanDerWaalsContact C-N 3.25Å; S305-T307 PolarHBondContact O-N 2.97Å; S305-L379 WeakPolarHBondContact CA-O 3.21Å; S305-L379 WeakPolarHBondContact CB-O 3.45Å
306	S	33.7	Very low	35.5	Very low	39 Å²	39	81.6 Å²	81.6	27%	0.273	46%	0.455	S	S	.	.	H	α-helix	trans	-61.3	-37.8	172.1	59.3	0	0	0	0	110.7	N304 A308 A309 W310	N304-S306 PolarHBondContact O-N 3.35Å; S306-A308 PolarHBondContact O-N 3.44Å; S306-A309 PolarHBondContact O-N 2.86Å; S306-W310 WeakPolarHBondContact O-CB 3.46Å; S306-W310 PolarHBondContact O-N 3.1Å
307	T	34.5	Very low	37.2	Very low	59 Å²	59	75.5 Å²	75.5	36%	0.362	42%	0.418	S	S	.	.	H	α-helix	trans	-65.9	-34.1	-174.1	72.1	0	0	0	0	113.6	S303 N304 S305 R311	S303-T307 WeakPolarHBondContact O-CG2 3.45Å; N304-T307 PolarHBondContact O-N 3.44Å; N304-T307 VanDerWaalsContact O-N 3.12Å; N304-T307 PolarHBondContact O-OG1 2.63Å; S305-T307 VanDerWaalsContact C-N 3.25Å; S305-T307 PolarHBondContact O-N 2.97Å; T307-R311 WeakPolarHBondContact O-CB 3.19Å; T307-R311 WeakPolarHBondContact O-CD 3.35Å; T307-R311 WeakPolarHBondContact O-CG 3.26Å; T307-R311 PolarHBondContact O-N 3.3Å
308	A	38.2	Very low	38.4	Very low	20 Å²	20	74.6 Å²	74.6	17%	0.165	41%	0.407	C	S	.	.	H	α-helix	trans	-73	-44.5	179.7	0	0	0	0	0	112	S306 W310 R311 C312 L378	S306-A308 PolarHBondContact O-N 3.44Å; A308-W310 PolarHBondContact O-N 2.87Å; A308-R311 WeakPolarHBondContact O-CB 3.37Å; A308-R311 PolarHBondContact O-N 3.12Å; A308-R311 VanDerWaalsContact O-N 3.16Å; A308-C312 PolarHBondContact O-N 2.99Å; A308-L378 WeakPolarHBondContact CB-O 3.49Å
309	A	41.2	Very low	39.4	Very low	12 Å²	12	70.5 Å²	70.5	10%	0.099	39%	0.385	C	S	.	.	H	α-helix	trans	-58.3	-48.5	174.3	0	0	0	0	0	111.4	L266 S306 R311 C312 I313 L379	L266-A309 HydrophobicContact CD2-CB 3.35Å; S306-A309 PolarHBondContact O-N 2.86Å; A309-R311 VanDerWaalsContact C-N 3.31Å; A309-R311 PolarHBondContact O-N 3.05Å; A309-C312 PolarHBondContact O-N 2.7Å; A309-I313 PolarHBondContact O-N 3.28Å; A309-L379 HydrophobicContact CB-CD2 3.29Å
310	W	43.7	Very low	40.7	Very low	83 Å²	83	65 Å²	65	31%	0.314	35%	0.351	S	S	.	.	H	α-helix	trans	-61.4	-37.2	175.9	-86.2	99.5	0	0	0	112	D263 L266 S306 A308 N314	D263-W310 HydrophobicContact CB-CH2 4.11Å; D263-W310 WeakPolarHBondContact OD1-CZ3 3.4Å; L266-W310 HydrophobicContact CD1-CD2 3.74Å; L266-W310 HydrophobicContact CD1-CE3 4.1Å; L266-W310 HydrophobicContact CD1-CG 4.01Å; L266-W310 HydrophobicContact CD1-CZ2 4.29Å; S306-W310 WeakPolarHBondContact O-CB 3.46Å; S306-W310 PolarHBondContact O-N 3.1Å; A308-W310 PolarHBondContact O-N 2.87Å; W310-N314 VanDerWaalsContact O-CB 3.24Å; W310-N314 WeakPolarHBondContact O-CB 3.44Å; W310-N314 PolarHBondContact O-N 3.31Å
311	R	43.4	Very low	42	Very low	180 Å²	180	59 Å²	59	68%	0.679	32%	0.321	S	S	*	.	H	α-helix	trans	-65.1	-43	174.5	-79.7	167.3	-179.1	-178.1	4.9	112.3	T307 A308 A309 N314 L315	T307-R311 WeakPolarHBondContact O-CB 3.19Å; T307-R311 WeakPolarHBondContact O-CD 3.35Å; T307-R311 WeakPolarHBondContact O-CG 3.26Å; T307-R311 PolarHBondContact O-N 3.3Å; A308-R311 WeakPolarHBondContact O-CB 3.37Å; A308-R311 PolarHBondContact O-N 3.12Å; A308-R311 VanDerWaalsContact O-N 3.16Å; A309-R311 VanDerWaalsContact C-N 3.31Å; A309-R311 PolarHBondContact O-N 3.05Å; R311-N314 PolarHBondContact O-N 2.98Å; R311-L315 WeakPolarHBondContact O-CB 3.3Å; R311-L315 PolarHBondContact O-N 3.41Å
312	C	43.1	Very low	42.7	Very low	27 Å²	27	57.2 Å²	57.2	18%	0.182	31%	0.313	C	S	.	.	H	α-helix	trans	-67.7	-44.8	-178.2	-145.4	0	0	0	0	111.1	A308 A309 L315 A316 L378	A308-C312 PolarHBondContact O-N 2.99Å; A309-C312 PolarHBondContact O-N 2.7Å; C312-L315 PolarHBondContact O-N 3.42Å; C312-A316 WeakPolarHBondContact O-CB 3.47Å; C312-A316 PolarHBondContact O-N 3.29Å; C312-L378 HydrophobicContact CB-CD2 4.36Å
313	I	49.6	Very low	43.4	Very low	18 Å²	18	51.1 Å²	51.1	9%	0.092	28%	0.282	C	S	.	.	H	α-helix	trans	-63.6	-43.4	173.2	-82.9	167.2	0	0	0	111	W262 L266 A309 L315 A316 K317 F362	W262-I313 HydrophobicContact CB-CD1 4.47Å; W262-I313 HydrophobicContact CB-CG2 4.08Å; W262-I313 HydrophobicContact CE3-CG2 4.34Å; L266-I313 HydrophobicContact CD1-CB 4.15Å; L266-I313 HydrophobicContact CD1-CD1 3.32Å; L266-I313 HydrophobicContact CD1-CG1 4.28Å; L266-I313 HydrophobicContact CD1-CG2 4.27Å; L266-I313 HydrophobicContact CD2-CD1 3.99Å; L266-I313 HydrophobicContact CG-CD1 3.41Å; L266-I313 VanDerWaalsContact CG-CD1 3.41Å; A309-I313 PolarHBondContact O-N 3.28Å; I313-L315 VanDerWaalsContact C-N 3.32Å; I313-L315 PolarHBondContact O-N 3.13Å; I313-A316 PolarHBondContact O-N 2.96Å; I313-K317 HydrophobicContact CG2-CD 4.1Å; I313-K317 HydrophobicContact CG2-CG 4.25Å; I313-K317 WeakPolarHBondContact O-CB 3.37Å; I313-K317 VanDerWaalsContact O-CG 3.25Å; I313-K317 WeakPolarHBondContact O-CG 3.44Å; I313-K317 PolarHBondContact O-N 3.43Å; I313-F362 HydrophobicContact CG1-CE1 3.99Å; I313-F362 HydrophobicContact CG1-CZ 4.23Å
314	N	53.4	Low	44.1	Very low	49 Å²	49	49.7 Å²	49.7	26%	0.262	27%	0.272	S	S	.	.	H	α-helix	trans	-60.5	-41	175.2	-97.3	-34.3	0	0	0	112.5	W310 R311 K317 H318	W310-N314 VanDerWaalsContact O-CB 3.24Å; W310-N314 WeakPolarHBondContact O-CB 3.44Å; W310-N314 PolarHBondContact O-N 3.31Å; R311-N314 PolarHBondContact O-N 2.98Å; N314-K317 PolarHBondContact O-N 3.07Å; N314-H318 WeakPolarHBondContact O-CB 3.27Å; N314-H318 PolarHBondContact O-N 3.07Å; N314-H318 PolarHBondContact O-ND1 2.71Å
315	L	47.6	Very low	44.6	Very low	101 Å²	101	45.1 Å²	45.1	53%	0.529	25%	0.246	S	C	.	.	H	α-helix	trans	-64.7	-42.2	176.3	-173.8	66.9	0	0	0	111.3	R311 C312 I313 H318 L319	R311-L315 WeakPolarHBondContact O-CB 3.3Å; R311-L315 PolarHBondContact O-N 3.41Å; C312-L315 PolarHBondContact O-N 3.42Å; I313-L315 VanDerWaalsContact C-N 3.32Å; I313-L315 PolarHBondContact O-N 3.13Å; L315-H318 PolarHBondContact O-N 2.84Å; L315-L319 HydrophobicContact CG-CD1 4.12Å; L315-L319 WeakPolarHBondContact O-CB 3.49Å; L315-L319 PolarHBondContact O-N 3.39Å
316	A	50.8	Low	45.1	Very low	5 Å²	5	47.3 Å²	47.3	4%	0.041	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-40.7	175.1	0	0	0	0	0	111.9	W262 C312 I313 L319 T320 V358 F362	W262-A316 HydrophobicContact CH2-CB 4.22Å; W262-A316 HydrophobicContact CZ3-CB 3.81Å; C312-A316 WeakPolarHBondContact O-CB 3.47Å; C312-A316 PolarHBondContact O-N 3.29Å; I313-A316 PolarHBondContact O-N 2.96Å; A316-L319 PolarHBondContact O-N 3.33Å; A316-T320 VanDerWaalsContact O-CB 3.28Å; A316-T320 WeakPolarHBondContact O-CB 3.36Å; A316-T320 PolarHBondContact O-N 3.08Å; A316-T320 PolarHBondContact O-OG1 2.91Å; A316-V358 HydrophobicContact CB-CG1 4.4Å; A316-F362 HydrophobicContact CB-CD2 4.26Å; A316-F362 HydrophobicContact CB-CE2 3.39Å; A316-F362 HydrophobicContact CB-CZ 3.73Å
317	K	58.8	Low	45.7	Very low	4 Å²	4	51.4 Å²	51.4	2%	0.017	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-49.3	174.3	-72.2	179.7	173.2	-175.3	0	110	F259 W262 D263 I313 N314 L319 T320 C321 T331	F259-K317 HydrophobicContact CB-CD 4.1Å; F259-K317 HydrophobicContact CB-CG 4.38Å; F259-K317 HydrophobicContact CD1-CB 4.23Å; F259-K317 HydrophobicContact CD1-CD 4.27Å; F259-K317 HydrophobicContact CD1-CG 3.62Å; F259-K317 HydrophobicContact CD2-CB 4.12Å; F259-K317 HydrophobicContact CD2-CD 3.96Å; F259-K317 HydrophobicContact CD2-CG 3.93Å; F259-K317 HydrophobicContact CE1-CB 3.9Å; F259-K317 HydrophobicContact CE1-CG 3.78Å; F259-K317 HydrophobicContact CE2-CB 3.81Å; F259-K317 HydrophobicContact CE2-CD 4.49Å; F259-K317 HydrophobicContact CE2-CG 4.11Å; F259-K317 HydrophobicContact CG-CB 4.34Å; F259-K317 HydrophobicContact CG-CD 3.86Å; F259-K317 HydrophobicContact CG-CG 3.71Å; F259-K317 HydrophobicContact CZ-CB 3.69Å; F259-K317 HydrophobicContact CZ-CG 4.03Å; F259-K317 VanDerWaalsContact CZ-O 3.23Å; F259-K317 WeakPolarHBondContact CZ-O 3.21Å; F259-K317 WeakPolarHBondContact O-CE 3.43Å; F259-K317 PolarHBondContact O-NZ 3.23Å; W262-K317 HydrophobicContact CE3-CG 3.58Å; W262-K317 HydrophobicContact CZ3-CB 4.41Å; W262-K317 HydrophobicContact CZ3-CG 3.75Å; D263-K317 WeakPolarHBondContact OD1-CE 3.28Å; D263-K317 IonicContact OD1-NZ 3.29Å; D263-K317 PolarHBondContact OD1-NZ 2.85Å; D263-K317 IonicContact OD2-NZ 2.88Å; D263-K317 PolarHBondContact OD2-NZ 2.83Å; I313-K317 HydrophobicContact CG2-CD 4.1Å; I313-K317 HydrophobicContact CG2-CG 4.25Å; I313-K317 WeakPolarHBondContact O-CB 3.37Å; I313-K317 VanDerWaalsContact O-CG 3.25Å; I313-K317 WeakPolarHBondContact O-CG 3.44Å; I313-K317 PolarHBondContact O-N 3.43Å; N314-K317 PolarHBondContact O-N 3.07Å; K317-L319 PolarHBondContact O-N 3.29Å; K317-T320 PolarHBondContact O-N 2.88Å; K317-C321 WeakPolarHBondContact O-CB 3.47Å; K317-C321 PolarHBondContact O-N 3.42Å; K317-T331 HydrophobicContact CB-CG2 4.31Å
318	H	51.1	Low	46.1	Very low	78 Å²	78	49.2 Å²	49.2	36%	0.361	26%	0.256	S	S	.	.	H	α-helix	trans	-61	-45.6	177.6	-78.9	87	0	0	0	112.3	N314 L315 C321 A322	N314-H318 WeakPolarHBondContact O-CB 3.27Å; N314-H318 PolarHBondContact O-N 3.07Å; N314-H318 PolarHBondContact O-ND1 2.71Å; L315-H318 PolarHBondContact O-N 2.84Å; H318-C321 PolarHBondContact O-N 3.35Å; H318-A322 WeakPolarHBondContact O-CB 3.39Å; H318-A322 PolarHBondContact O-N 3.06Å
319	L	47.2	Very low	46.7	Very low	62 Å²	62	53 Å²	53	33%	0.325	27%	0.27	S	S	.	.	H	α-helix	trans	-61.5	-46.9	176.9	-84.8	160.5	0	0	0	111.4	L315 A316 K317 A322 T323	L315-L319 HydrophobicContact CG-CD1 4.12Å; L315-L319 WeakPolarHBondContact O-CB 3.49Å; L315-L319 PolarHBondContact O-N 3.39Å; A316-L319 PolarHBondContact O-N 3.33Å; K317-L319 PolarHBondContact O-N 3.29Å; L319-A322 PolarHBondContact O-N 3.45Å; L319-T323 WeakPolarHBondContact O-CB 3.36Å; L319-T323 VanDerWaalsContact O-CG2 3.28Å; L319-T323 WeakPolarHBondContact O-CG2 3.37Å; L319-T323 PolarHBondContact O-N 3.09Å; L319-T323 PolarHBondContact O-OG1 2.94Å
320	T	50.1	Low	47.2	Very low	7 Å²	7	53.9 Å²	53.9	4%	0.043	27%	0.273	C	S	.	.	H	α-helix	trans	-62	-48.1	177.8	-54	0	0	0	0	110.2	L258 F259 A316 K317 A322 T323 S324	L258-T320 HydrophobicContact CD2-CG2 4.2Å; F259-T320 HydrophobicContact CE1-CG2 4.34Å; A316-T320 VanDerWaalsContact O-CB 3.28Å; A316-T320 WeakPolarHBondContact O-CB 3.36Å; A316-T320 PolarHBondContact O-N 3.08Å; A316-T320 PolarHBondContact O-OG1 2.91Å; K317-T320 PolarHBondContact O-N 2.88Å; T320-A322 PolarHBondContact O-N 3.21Å; T320-T323 WeakPolarHBondContact CA-OG1 3.47Å; T320-T323 PolarHBondContact O-N 3.22Å; T320-T323 PolarHBondContact O-OG1 2.89Å; T320-T323 VanDerWaalsContact O-OG1 3.07Å; T320-S324 VanDerWaalsContact O-CB 3.25Å; T320-S324 WeakPolarHBondContact O-CB 3.44Å; T320-S324 PolarHBondContact O-N 3.46Å; T320-S324 PolarHBondContact O-OG 3.25Å
321	C	49.9	Very low	47.4	Very low	3 Å²	3	50.7 Å²	50.7	2%	0.02	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-45.7	179.2	-163.7	0	0	0	0	111.4	F259 K317 H318 T323 C328 T331	F259-C321 HydrophobicContact CE2-CB 4.29Å; F259-C321 HydrophobicContact CZ-CB 4.05Å; K317-C321 WeakPolarHBondContact O-CB 3.47Å; K317-C321 PolarHBondContact O-N 3.42Å; H318-C321 PolarHBondContact O-N 3.35Å; C321-T323 VanDerWaalsContact C-N 3.32Å; C321-T323 PolarHBondContact O-N 3.33Å; C321-C328 WeakPolarHBondContact CA-SG 3.31Å; C321-C328 HydrophobicContact CB-CB 3.8Å; C321-C328 WeakPolarHBondContact CB-SG 3.36Å; C321-C328 VanDerWaalsContact O-CB 3.22Å; C321-C328 WeakPolarHBondContact O-CB 3.3Å; C321-C328 VanDerWaalsContact SG-C 3.57Å; C321-C328 WeakPolarHBondContact SG-CB 3.47Å; C321-C328 PolarHBondContact SG-O 3.37Å; C321-C328 VanDerWaalsContact SG-O 3.33Å; C321-C328 CovalentContact SG-SG 2.01Å; C321-C328 PolarHBondContact SG-SG 3.38Å; C321-T331 HydrophobicContact CB-CG2 4.02Å; C321-T331 PolarHBondContact SG-OG1 3.06Å
322	A	45	Very low	47.4	Very low	74 Å²	74	45.8 Å²	45.8	61%	0.612	25%	0.25	S	C	*	.	H	α-helix	trans	-68.1	-27.6	178.2	0	0	0	0	0	113.8	H318 L319 T320	H318-A322 WeakPolarHBondContact O-CB 3.39Å; H318-A322 PolarHBondContact O-N 3.06Å; L319-A322 PolarHBondContact O-N 3.45Å; T320-A322 PolarHBondContact O-N 3.21Å
323	T	41.1	Very low	47.4	Very low	34 Å²	34	48.2 Å²	48.2	21%	0.209	27%	0.272	C	S	.	.	H	α-helix	trans	-95	-29	-177.3	48.1	0	0	0	0	113.9	L319 T320 C321 V350 C355	L319-T323 WeakPolarHBondContact O-CB 3.36Å; L319-T323 VanDerWaalsContact O-CG2 3.28Å; L319-T323 WeakPolarHBondContact O-CG2 3.37Å; L319-T323 PolarHBondContact O-N 3.09Å; L319-T323 PolarHBondContact O-OG1 2.94Å; T320-T323 WeakPolarHBondContact CA-OG1 3.47Å; T320-T323 PolarHBondContact O-N 3.22Å; T320-T323 PolarHBondContact O-OG1 2.89Å; T320-T323 VanDerWaalsContact O-OG1 3.07Å; C321-T323 VanDerWaalsContact C-N 3.32Å; C321-T323 PolarHBondContact O-N 3.33Å; T323-V350 HydrophobicContact CG2-CB 3.6Å; T323-V350 HydrophobicContact CG2-CG1 3.68Å; T323-C355 HydrophobicContact CG2-CB 4.4Å; T323-C355 PolarHBondContact OG1-SG 2.77Å
324	S	44.1	Very low	47	Very low	28 Å²	28	50.9 Å²	50.9	20%	0.196	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-44.9	-174.9	-61.8	0	0	0	0	111.9	T320	T320-S324 VanDerWaalsContact O-CB 3.25Å; T320-S324 WeakPolarHBondContact O-CB 3.44Å; T320-S324 PolarHBondContact O-N 3.46Å; T320-S324 PolarHBondContact O-OG 3.25Å
325	Y	40.3	Very low	46	Very low	20 Å²	20	56 Å²	56	8%	0.078	30%	0.302	C	S	.	.	S	Bend	trans	-171.6	164.2	170.7	70	-78.1	0	0	0	110.6	L245 N248 N252 R327 C328	L245-Y325 HydrophobicContact CB-CD1 3.93Å; L245-Y325 HydrophobicContact CB-CG 4.37Å; L245-Y325 HydrophobicContact CD1-CD1 4.5Å; N248-Y325 WeakPolarHBondContact OD1-CE2 3.36Å; N248-Y325 VanDerWaalsContact OD1-CZ 3.23Å; N248-Y325 PolarHBondContact OD1-OH 2.95Å; N252-Y325 PolarHBondContact OD1-OH 3.12Å; Y325-R327 PolarHBondContact O-N 3.36Å; Y325-C328 HydrophobicContact CE1-CB 4.1Å
326	P	41.2	Very low	45.3	Very low	91 Å²	91	60.6 Å²	60.6	59%	0.591	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	128.1	178.8	-15.4	28.2	0	0	0	110.6
327	R	45.1	Very low	44.4	Very low	125 Å²	125	65.1 Å²	65.1	47%	0.472	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	39.2	173.1	-47.4	173.5	171.2	179.8	-10.2	117.5	Y325 E329 G934 S935	Y325-R327 PolarHBondContact O-N 3.36Å; R327-E329 PolarHBondContact O-N 2.9Å; R327-G934 PolarHBondContact NH1-O 3.33Å; R327-G934 PolarHBondContact NH2-O 2.92Å; R327-G934 VanDerWaalsContact NH2-O 3.11Å; R327-S935 PolarHBondContact NH1-O 3.39Å
328	C	43.7	Very low	43	Very low	12 Å²	12	68.5 Å²	68.5	8%	0.081	37%	0.37	C	S	.	.			trans	-59.3	121.4	166.9	164.8	0	0	0	0	111.1	C321 Y325	C321-C328 WeakPolarHBondContact CA-SG 3.31Å; C321-C328 HydrophobicContact CB-CB 3.8Å; C321-C328 WeakPolarHBondContact CB-SG 3.36Å; C321-C328 VanDerWaalsContact O-CB 3.22Å; C321-C328 WeakPolarHBondContact O-CB 3.3Å; C321-C328 VanDerWaalsContact SG-C 3.57Å; C321-C328 WeakPolarHBondContact SG-CB 3.47Å; C321-C328 PolarHBondContact SG-O 3.37Å; C321-C328 VanDerWaalsContact SG-O 3.33Å; C321-C328 CovalentContact SG-SG 2.01Å; C321-C328 PolarHBondContact SG-SG 3.38Å; Y325-C328 HydrophobicContact CE1-CB 4.1Å
329	E	50.8	Low	41.8	Very low	99 Å²	99	69.3 Å²	69.3	46%	0.463	38%	0.384	S	S	.	.			trans	-91.4	-13.8	-169.2	-74.5	-175.1	171.1	0	0	114	R327 T331 N332	R327-E329 PolarHBondContact O-N 2.9Å; E329-T331 VanDerWaalsContact C-N 3.29Å; E329-T331 PolarHBondContact O-N 3.44Å; E329-N332 WeakPolarHBondContact O-CB 3.24Å; E329-N332 PolarHBondContact O-N 3.13Å
330	I	51.7	Low	40.9	Very low	31 Å²	31	73.3 Å²	73.3	16%	0.159	41%	0.405	C	S	.	.	H	α-helix	trans	-65.2	-33.8	-169.3	-58.3	151.2	0	0	0	111.9	N252 V255 K256 F259 N332 A333	N252-I330 HydrophobicContact CB-CD1 4.41Å; N252-I330 VanDerWaalsContact O-CD1 3.23Å; N252-I330 WeakPolarHBondContact O-CD1 3.42Å; V255-I330 HydrophobicContact CB-CD1 3.42Å; V255-I330 VanDerWaalsContact CB-CD1 3.42Å; V255-I330 HydrophobicContact CG1-CD1 3.37Å; K256-I330 HydrophobicContact CB-CD1 4Å; K256-I330 HydrophobicContact CB-CG1 4.28Å; K256-I330 HydrophobicContact CB-CG2 4.49Å; F259-I330 HydrophobicContact CD2-CB 4.13Å; F259-I330 HydrophobicContact CD2-CG2 3.54Å; F259-I330 HydrophobicContact CE2-CB 4.17Å; F259-I330 HydrophobicContact CE2-CG2 4.09Å; I330-N332 PolarHBondContact O-N 3.08Å; I330-A333 PolarHBondContact O-N 3.21Å
331	T	47.1	Very low	39.9	Very low	16 Å²	16	80 Å²	80	10%	0.098	43%	0.434	C	S	.	.	H	α-helix	trans	-74.8	-11.6	175.7	55.5	0	0	0	0	113.3	F259 K317 C321 E329	F259-T331 HydrophobicContact CE2-CG2 4.09Å; K317-T331 HydrophobicContact CB-CG2 4.31Å; C321-T331 HydrophobicContact CB-CG2 4.02Å; C321-T331 PolarHBondContact SG-OG1 3.06Å; E329-T331 VanDerWaalsContact C-N 3.29Å; E329-T331 PolarHBondContact O-N 3.44Å
332	N	44.5	Very low	38.6	Very low	78 Å²	78	85.4 Å²	85.4	42%	0.417	47%	0.467	S	S	.	.	H	α-helix	trans	-78	-27	175	-79.9	-26.2	0	0	0	112.7	E329 I330 D334 R335	E329-N332 WeakPolarHBondContact O-CB 3.24Å; E329-N332 PolarHBondContact O-N 3.13Å; I330-N332 PolarHBondContact O-N 3.08Å; N332-D334 VanDerWaalsContact C-N 3.26Å; N332-D334 PolarHBondContact O-N 3Å; N332-R335 WeakPolarHBondContact O-CB 3.19Å; N332-R335 PolarHBondContact O-N 3.49Å; N332-R335 VanDerWaalsContact O-N 3.13Å; N332-R335 VanDerWaalsContact OD1-CZ 3.28Å; N332-R335 PolarHBondContact OD1-NE 2.74Å; N332-R335 PolarHBondContact OD1-NH2 2.93Å
333	A	43.3	Very low	37.6	Very low	78 Å²	78	88.9 Å²	88.9	65%	0.645	48%	0.475	S	S	*	.	H	α-helix	trans	-63.3	-34.8	177.4	0	0	0	0	0	112	I330 R335	I330-A333 PolarHBondContact O-N 3.21Å; A333-R335 PolarHBondContact O-N 3.31Å
334	D	40.9	Very low	36.8	Very low	73 Å²	73	92.6 Å²	92.6	39%	0.39	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-77.1	-2.1	177.2	-74.4	-29	0	0	0	114.1	N332 K336 S337 T338	N332-D334 VanDerWaalsContact C-N 3.26Å; N332-D334 PolarHBondContact O-N 3Å; D334-K336 PolarHBondContact O-N 3.07Å; D334-S337 PolarHBondContact O-N 3.46Å; D334-S337 PolarHBondContact O-OG 3.05Å; D334-S337 VanDerWaalsContact O-OG 3.08Å; D334-T338 PolarHBondContact O-OG1 3.22Å; D334-T338 VanDerWaalsContact O-OG1 3.09Å
335	R	32.8	Very low	35.7	Very low	157 Å²	157	100.2 Å²	100.2	59%	0.592	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-63.1	-23.7	174.7	-77.4	-172.3	-179.1	-168.4	4	113.4	N332 A333 S337 T338	N332-R335 WeakPolarHBondContact O-CB 3.19Å; N332-R335 PolarHBondContact O-N 3.49Å; N332-R335 VanDerWaalsContact O-N 3.13Å; N332-R335 VanDerWaalsContact OD1-CZ 3.28Å; N332-R335 PolarHBondContact OD1-NE 2.74Å; N332-R335 PolarHBondContact OD1-NH2 2.93Å; A333-R335 PolarHBondContact O-N 3.31Å; R335-S337 PolarHBondContact O-N 3.06Å; R335-T338 WeakPolarHBondContact CA-OG1 3.41Å; R335-T338 PolarHBondContact O-N 3.08Å; R335-T338 VanDerWaalsContact O-N 3.13Å; R335-T338 PolarHBondContact O-OG1 3.37Å
336	K	32.7	Very low	34.9	Very low	198 Å²	198	104.9 Å²	104.9	86%	0.861	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-66.5	-22.8	179.9	-79.1	-174.3	179.5	174.4	0	113.3	D334	D334-K336 PolarHBondContact O-N 3.07Å
337	S	32.2	Very low	34	Very low	100 Å²	100	108.4 Å²	108.4	70%	0.699	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-92.3	-10	174	66	0	0	0	0	113.5	D334 R335	D334-S337 PolarHBondContact O-N 3.46Å; D334-S337 PolarHBondContact O-OG 3.05Å; D334-S337 VanDerWaalsContact O-OG 3.08Å; R335-S337 PolarHBondContact O-N 3.06Å
338	T	28.9	Very low	33.2	Very low	75 Å²	75	108 Å²	108	46%	0.46	56%	0.562	S	S	.	*			trans	-113.6	33.7	-174.5	35.5	0	0	0	0	113.1	D334 R335 L340 F341	D334-T338 PolarHBondContact O-OG1 3.22Å; D334-T338 VanDerWaalsContact O-OG1 3.09Å; R335-T338 WeakPolarHBondContact CA-OG1 3.41Å; R335-T338 PolarHBondContact O-N 3.08Å; R335-T338 VanDerWaalsContact O-N 3.13Å; R335-T338 PolarHBondContact O-OG1 3.37Å; T338-L340 PolarHBondContact O-N 3.42Å; T338-F341 PolarHBondContact O-N 3.23Å
339	S	26.2	Very low	32.3	Very low	94 Å²	94	113.8 Å²	113.8	66%	0.657	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	16.3	178.1	69	0	0	0	0	115.7
340	L	28.2	Very low	31.2	Very low	147 Å²	147	111.6 Å²	111.6	77%	0.77	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	0.1	178.9	-86.2	161	0	0	0	114.3	T338	T338-L340 PolarHBondContact O-N 3.42Å
341	F	28.9	Very low	30.1	Very low	147 Å²	147	114 Å²	114	65%	0.645	61%	0.611	S	S	*	*			trans	-132.6	57.4	-179.3	-61.9	-76.3	0	0	0	111.8	T338 N343	T338-F341 PolarHBondContact O-N 3.23Å; F341-N343 PolarHBondContact O-N 2.95Å
342	T	22.6	Very low	29.5	Very low	117 Å²	117	119.4 Å²	119.4	72%	0.718	64%	0.639	S	S	*	*			trans	-83.7	86.9	169.1	52.1	0	0	0	0	109.1
343	N	23.5	Very low	29	Very low	146 Å²	146	123 Å²	123	78%	0.781	65%	0.65	S	S	*	*	S	Bend	trans	-163.2	113.2	153.2	-94.6	-22.5	0	0	0	110.8	F341	F341-N343 PolarHBondContact O-N 2.95Å
344	S	23.6	Very low	28.7	Very low	112 Å²	112	123 Å²	123	78%	0.783	64%	0.637	S	S	*	*			trans	46.2	87.1	154.9	61.2	0	0	0	0	117.6
345	Y	22.4	Very low	28.4	Very low	188 Å²	188	120.5 Å²	120.5	74%	0.737	63%	0.625	S	S	*	*			trans	-86.8	126.7	159.1	-79	-90.1	0	0	0	109.3
346	I	23.4	Very low	28.5	Very low	118 Å²	118	116 Å²	116	61%	0.605	61%	0.613	S	S	*	*			trans	-99.8	131.4	170.1	-63.4	172.1	0	0	0	107.1	Y348	I346-Y348 WeakPolarHBondContact O-CD2 3.27Å; I346-Y348 PolarHBondContact O-N 2.73Å
347	E	22	Very low	28.8	Very low	166 Å²	166	107 Å²	107	78%	0.776	58%	0.575	S	S	*	*			trans	-67.1	112	175.5	-71.9	177.5	155.5	0	0	109.7
348	Y	27.1	Very low	29.3	Very low	116 Å²	116	103.6 Å²	103.6	46%	0.455	55%	0.55	S	S	.	.			trans	-91.2	129.2	174.2	-77.6	-87.9	0	0	0	110.4	I346 V350	I346-Y348 WeakPolarHBondContact O-CD2 3.27Å; I346-Y348 PolarHBondContact O-N 2.73Å; Y348-V350 PolarHBondContact O-N 3.36Å
349	P	25	Very low	29.8	Very low	133 Å²	133	101.6 Å²	101.6	86%	0.864	54%	0.538	S	S	*	.			trans	-71.1	96.4	170.2	28.3	-31.4	0	0	0	109.2
350	V	28.7	Very low	30.5	Very low	53 Å²	53	98.1 Å²	98.1	32%	0.321	52%	0.517	S	S	.	.			trans	-90.1	124.8	173.6	176	0	0	0	0	108.3	T323 Y348 H354	T323-V350 HydrophobicContact CG2-CB 3.6Å; T323-V350 HydrophobicContact CG2-CG1 3.68Å; Y348-V350 PolarHBondContact O-N 3.36Å; V350-H354 HydrophobicContact CG1-CB 3.47Å; V350-H354 VanDerWaalsContact CG1-CB 3.47Å; V350-H354 WeakPolarHBondContact CG1-ND1 3.34Å
351	C	28.5	Very low	31.2	Very low	83 Å²	83	92.2 Å²	92.2	56%	0.561	49%	0.486	S	S	*	.			trans	-57.4	144.4	178.2	-80.6	0	0	0	0	112.9	K353 H354	C351-K353 PolarHBondContact O-N 2.7Å; C351-H354 PolarHBondContact N-ND1 2.88Å; C351-H354 WeakPolarHBondContact O-CB 3.39Å; C351-H354 PolarHBondContact O-N 2.8Å
352	L	33.8	Very low	31.9	Very low	129 Å²	129	87.9 Å²	87.9	68%	0.675	47%	0.467	S	S	*	.	H	α-helix	trans	-43.5	-35.9	172.9	-176.6	72	0	0	0	113.8	H354 C355 L356	L352-H354 VanDerWaalsContact C-N 3.28Å; L352-H354 PolarHBondContact O-N 2.89Å; L352-C355 WeakPolarHBondContact O-CB 3.22Å; L352-C355 PolarHBondContact O-N 2.93Å; L352-L356 HydrophobicContact CG-CD1 4.44Å; L352-L356 PolarHBondContact O-N 2.96Å; L352-L356 VanDerWaalsContact O-N 3.14Å
353	K	34.4	Very low	32.7	Very low	153 Å²	153	82.9 Å²	82.9	67%	0.665	44%	0.436	S	S	*	.	H	α-helix	trans	-60	-34	177.9	-66.1	-173.9	178.3	-176.4	0	113.4	C351 A357	C351-K353 PolarHBondContact O-N 2.7Å; K353-A357 PolarHBondContact O-N 3.38Å; K353-A357 VanDerWaalsContact O-N 3.14Å
354	H	36.8	Very low	33.5	Very low	78 Å²	78	78.7 Å²	78.7	36%	0.361	41%	0.411	S	S	.	.	H	α-helix	trans	-75.4	-35	178.7	-55.4	128.2	0	0	0	111.5	V350 C351 L352 A357 V358	V350-H354 HydrophobicContact CG1-CB 3.47Å; V350-H354 VanDerWaalsContact CG1-CB 3.47Å; V350-H354 WeakPolarHBondContact CG1-ND1 3.34Å; C351-H354 PolarHBondContact N-ND1 2.88Å; C351-H354 WeakPolarHBondContact O-CB 3.39Å; C351-H354 PolarHBondContact O-N 2.8Å; L352-H354 VanDerWaalsContact C-N 3.28Å; L352-H354 PolarHBondContact O-N 2.89Å; H354-A357 PolarHBondContact O-N 3.09Å; H354-V358 WeakPolarHBondContact O-CG2 3.14Å; H354-V358 PolarHBondContact O-N 2.93Å
355	C	34.7	Very low	34.2	Very low	21 Å²	21	74.1 Å²	74.1	14%	0.142	38%	0.379	C	S	.	.	H	α-helix	trans	-62.2	-49	175	-161.4	0	0	0	0	110.5	T323 L352 A357 V358 T359	T323-C355 HydrophobicContact CG2-CB 4.4Å; T323-C355 PolarHBondContact OG1-SG 2.77Å; L352-C355 WeakPolarHBondContact O-CB 3.22Å; L352-C355 PolarHBondContact O-N 2.93Å; C355-A357 VanDerWaalsContact C-N 3.29Å; C355-A357 PolarHBondContact O-N 3.35Å; C355-V358 PolarHBondContact O-N 2.83Å; C355-T359 WeakPolarHBondContact O-CB 3.42Å; C355-T359 PolarHBondContact O-N 3.04Å; C355-T359 PolarHBondContact O-OG1 2.93Å
356	L	35.8	Very low	34.9	Very low	63 Å²	63	67 Å²	67	33%	0.33	36%	0.357	S	S	.	.	H	α-helix	trans	-57.3	-39.5	174.3	-77.6	165.1	0	0	0	112.7	I240 L352 G360	I240-L356 HydrophobicContact CB-CD2 3.89Å; I240-L356 HydrophobicContact CD1-CD2 3.81Å; I240-L356 HydrophobicContact CG1-CD2 4.45Å; I240-L356 HydrophobicContact CG2-CD2 3.54Å; I240-L356 HydrophobicContact CG2-CG 4.46Å; L352-L356 HydrophobicContact CG-CD1 4.44Å; L352-L356 PolarHBondContact O-N 2.96Å; L352-L356 VanDerWaalsContact O-N 3.14Å; L356-G360 WeakPolarHBondContact O-CA 3.49Å; L356-G360 PolarHBondContact O-N 2.95Å
357	A	38.7	Very low	35.4	Very low	9 Å²	9	65.1 Å²	65.1	7%	0.074	35%	0.348	C	S	.	.	H	α-helix	trans	-66.6	-45.8	177.4	0	0	0	0	0	112.2	K353 H354 C355 G360 L361 L411	K353-A357 PolarHBondContact O-N 3.38Å; K353-A357 VanDerWaalsContact O-N 3.14Å; H354-A357 PolarHBondContact O-N 3.09Å; C355-A357 VanDerWaalsContact C-N 3.29Å; C355-A357 PolarHBondContact O-N 3.35Å; A357-G360 PolarHBondContact O-N 2.93Å; A357-L361 WeakPolarHBondContact O-CB 3.43Å; A357-L361 WeakPolarHBondContact O-CD1 3.32Å; A357-L361 WeakPolarHBondContact O-CG 3.46Å; A357-L361 PolarHBondContact O-N 2.98Å; A357-L411 HydrophobicContact CB-CD2 4.05Å
358	V	41.1	Very low	36.3	Very low	28 Å²	28	66.7 Å²	66.7	17%	0.17	35%	0.352	C	S	.	.	H	α-helix	trans	-65.5	-47.2	179.1	173.8	0	0	0	0	110.9	A316 H354 C355 G360 L361 F362	A316-V358 HydrophobicContact CB-CG1 4.4Å; H354-V358 WeakPolarHBondContact O-CG2 3.14Å; H354-V358 PolarHBondContact O-N 2.93Å; C355-V358 PolarHBondContact O-N 2.83Å; V358-G360 VanDerWaalsContact C-N 3.33Å; V358-G360 PolarHBondContact O-N 3.13Å; V358-L361 PolarHBondContact O-N 2.89Å; V358-F362 HydrophobicContact CG1-CD2 4.37Å; V358-F362 WeakPolarHBondContact O-CD2 3.49Å; V358-F362 PolarHBondContact O-N 3.27Å; V358-F362 VanDerWaalsContact O-N 3.16Å
359	T	39.8	Very low	36.8	Very low	33 Å²	33	65.1 Å²	65.1	20%	0.202	35%	0.35	C	S	.	.	H	α-helix	trans	-63.1	-40.7	175.7	-52.1	0	0	0	0	111.3	C355 F362 C363	C355-T359 WeakPolarHBondContact O-CB 3.42Å; C355-T359 PolarHBondContact O-N 3.04Å; C355-T359 PolarHBondContact O-OG1 2.93Å; T359-F362 PolarHBondContact O-N 3.33Å; T359-C363 WeakPolarHBondContact O-CB 3Å; T359-C363 PolarHBondContact O-N 2.46Å
360	G	41	Very low	37.3	Very low	21 Å²	21	59.1 Å²	59.1	22%	0.216	31%	0.311	C	S	.	.	H	α-helix	trans	-60.1	-46.6	174.5	0	0	0	0	0	112.3	L356 A357 V358 F362 C363 F364	L356-G360 WeakPolarHBondContact O-CA 3.49Å; L356-G360 PolarHBondContact O-N 2.95Å; A357-G360 PolarHBondContact O-N 2.93Å; V358-G360 VanDerWaalsContact C-N 3.33Å; V358-G360 PolarHBondContact O-N 3.13Å; G360-F362 VanDerWaalsContact C-N 3.33Å; G360-F362 PolarHBondContact O-N 2.81Å; G360-C363 PolarHBondContact O-N 3.32Å; G360-F364 WeakPolarHBondContact O-CB 3.22Å; G360-F364 WeakPolarHBondContact O-CD2 3.47Å; G360-F364 PolarHBondContact O-N 3.38Å
361	L	42.5	Very low	38	Very low	23 Å²	23	62.6 Å²	62.6	12%	0.12	33%	0.328	C	S	.	.	H	α-helix	trans	-57.9	-42.9	177.5	-83.5	154.2	0	0	0	112.3	A357 V358 S365 W397 L400 L411	A357-L361 WeakPolarHBondContact O-CB 3.43Å; A357-L361 WeakPolarHBondContact O-CD1 3.32Å; A357-L361 WeakPolarHBondContact O-CG 3.46Å; A357-L361 PolarHBondContact O-N 2.98Å; V358-L361 PolarHBondContact O-N 2.89Å; L361-S365 WeakPolarHBondContact O-CB 3.34Å; L361-S365 PolarHBondContact O-N 2.8Å; L361-S365 PolarHBondContact O-OG 3.18Å; L361-W397 HydrophobicContact CD1-CZ3 4.44Å; L361-L400 HydrophobicContact CB-CD2 4.45Å; L361-L400 HydrophobicContact CD2-CD2 3.54Å; L361-L411 HydrophobicContact CD1-CD2 4.47Å
362	F	43.8	Very low	38.5	Very low	56 Å²	56	64 Å²	64	25%	0.246	33%	0.33	C	S	.	.	H	α-helix	trans	-73.8	-39.3	178.1	-89.1	-85	0	0	0	113.4	W262 I313 A316 V358 T359 G360	W262-F362 HydrophobicContact CZ2-CG 4.44Å; I313-F362 HydrophobicContact CG1-CE1 3.99Å; I313-F362 HydrophobicContact CG1-CZ 4.23Å; A316-F362 HydrophobicContact CB-CD2 4.26Å; A316-F362 HydrophobicContact CB-CE2 3.39Å; A316-F362 HydrophobicContact CB-CZ 3.73Å; V358-F362 HydrophobicContact CG1-CD2 4.37Å; V358-F362 WeakPolarHBondContact O-CD2 3.49Å; V358-F362 PolarHBondContact O-N 3.27Å; V358-F362 VanDerWaalsContact O-N 3.16Å; T359-F362 PolarHBondContact O-N 3.33Å; G360-F362 VanDerWaalsContact C-N 3.33Å; G360-F362 PolarHBondContact O-N 2.81Å
363	C	40.7	Very low	38.9	Very low	11 Å²	11	60.9 Å²	60.9	7%	0.074	32%	0.319	C	S	.	.	H	α-helix	trans	-83.5	-24.8	-175.3	-80.5	0	0	0	0	115	S221 C223 T359 G360	S221-C363 PolarHBondContact OG-O 3.21Å; C223-C363 HydrophobicContact CB-CB 3.61Å; C223-C363 WeakPolarHBondContact CB-SG 3.36Å; C223-C363 WeakPolarHBondContact SG-CA 3.34Å; C223-C363 WeakPolarHBondContact SG-CB 3.36Å; C223-C363 CovalentContact SG-SG 2.05Å; C223-C363 PolarHBondContact SG-SG 3.34Å; T359-C363 WeakPolarHBondContact O-CB 3Å; T359-C363 PolarHBondContact O-N 2.46Å; G360-C363 PolarHBondContact O-N 3.32Å
364	F	39.5	Very low	39.2	Very low	58 Å²	58	54 Å²	54	25%	0.254	29%	0.29	S	S	.	.	H	α-helix	trans	-96.6	-16.9	-179.7	-75.1	-88.2	0	0	0	113.9	L217 G360 S366	L217-F364 HydrophobicContact CD2-CD1 4.01Å; L217-F364 HydrophobicContact CD2-CD2 4.08Å; L217-F364 HydrophobicContact CD2-CE1 3.5Å; L217-F364 HydrophobicContact CD2-CE2 3.58Å; L217-F364 HydrophobicContact CD2-CG 4.29Å; L217-F364 HydrophobicContact CD2-CZ 3.27Å; L217-F364 HydrophobicContact CG-CE1 4.34Å; L217-F364 HydrophobicContact CG-CE2 4.34Å; L217-F364 HydrophobicContact CG-CZ 3.86Å; G360-F364 WeakPolarHBondContact O-CB 3.22Å; G360-F364 WeakPolarHBondContact O-CD2 3.47Å; G360-F364 PolarHBondContact O-N 3.38Å; F364-S366 PolarHBondContact O-N 2.9Å
365	S	37.4	Very low	39.2	Very low	17 Å²	17	52.6 Å²	52.6	12%	0.119	29%	0.285	C	S	.	.			trans	-79.3	106.4	174.9	57.6	0	0	0	0	110.6	L361 L367	L361-S365 WeakPolarHBondContact O-CB 3.34Å; L361-S365 PolarHBondContact O-N 2.8Å; L361-S365 PolarHBondContact O-OG 3.18Å; S365-L367 PolarHBondContact O-N 3.31Å
366	S	37.3	Very low	39.5	Very low	37 Å²	37	53 Å²	53	26%	0.259	29%	0.286	S	S	.	.			trans	-63.6	107.2	162.6	169	0	0	0	0	107.7	F364 K368 I369	F364-S366 PolarHBondContact O-N 2.9Å; S366-K368 PolarHBondContact O-N 3.14Å; S366-I369 PolarHBondContact O-N 3.35Å
367	L	35.4	Very low	39.8	Very low	80 Å²	80	51.8 Å²	51.8	42%	0.419	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-15.7	178.2	-86.5	156.1	0	0	0	113.6	L265 S365 I369 L370 L375	L265-L367 HydrophobicContact CD2-CD1 3.42Å; L265-L367 VanDerWaalsContact CD2-CD1 3.42Å; S365-L367 PolarHBondContact O-N 3.31Å; L367-I369 VanDerWaalsContact C-N 3.29Å; L367-I369 PolarHBondContact O-N 3.49Å; L367-L370 HydrophobicContact CD2-CD1 3.7Å; L367-L370 HydrophobicContact CG-CD1 4.4Å; L367-L375 HydrophobicContact CD2-CD1 4.24Å
368	K	39.7	Very low	39.6	Very low	199 Å²	199	52.9 Å²	52.9	87%	0.865	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-20	171.8	-75.8	-173.4	176	-177.8	0	113.8	S366	S366-K368 PolarHBondContact O-N 3.14Å
369	I	37.7	Very low	39.3	Very low	82 Å²	82	52.9 Å²	52.9	42%	0.421	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-11.3	-177.2	-58	173.5	0	0	0	111.5	S366 L367 N371 V403 E405	S366-I369 PolarHBondContact O-N 3.35Å; L367-I369 VanDerWaalsContact C-N 3.29Å; L367-I369 PolarHBondContact O-N 3.49Å; I369-N371 PolarHBondContact O-N 3.28Å; I369-V403 HydrophobicContact CG2-CG1 4.13Å; I369-E405 VanDerWaalsContact CD1-OE1 3.27Å; I369-E405 WeakPolarHBondContact CD1-OE1 3.28Å
370	L	36.6	Very low	39.4	Very low	8 Å²	8	56.8 Å²	56.8	4%	0.042	31%	0.306	C	S	.	.	S	Bend	trans	-65.4	86.3	162.4	-87.7	147.9	0	0	0	107.4	L367 N372 A374 L400	L367-L370 HydrophobicContact CD2-CD1 3.7Å; L367-L370 HydrophobicContact CG-CD1 4.4Å; L370-N372 PolarHBondContact O-N 3.26Å; L370-A374 HydrophobicContact CD2-CB 3.73Å; L370-L400 HydrophobicContact CD1-CD1 4.18Å; L370-L400 HydrophobicContact CD2-CD1 4.23Å; L370-L400 HydrophobicContact CD2-CG 4.42Å
371	N	41.6	Very low	38.9	Very low	125 Å²	125	58.9 Å²	58.9	67%	0.668	31%	0.311	S	S	*	.			trans	-45.5	138.9	174.2	-153.3	5.8	0	0	0	107.9	I369 S373 A374 L375	I369-N371 PolarHBondContact O-N 3.28Å; N371-S373 PolarHBondContact O-N 3.44Å; N371-A374 PolarHBondContact O-N 2.94Å; N371-L375 PolarHBondContact O-N 3.34Å
372	N	39.4	Very low	38.6	Very low	114 Å²	114	63.2 Å²	63.2	61%	0.61	34%	0.341	S	S	*	.	H	α-helix	trans	-49.4	-30.5	-168.2	-76.1	-11.7	0	0	0	113	L370 A374 L375 D376	L370-N372 PolarHBondContact O-N 3.26Å; N372-A374 PolarHBondContact O-N 3.24Å; N372-L375 PolarHBondContact O-N 2.67Å; N372-D376 WeakPolarHBondContact O-CA 3.35Å; N372-D376 WeakPolarHBondContact O-CB 3.43Å; N372-D376 PolarHBondContact O-N 2.77Å
373	S	42.1	Very low	38.1	Very low	62 Å²	62	66.9 Å²	66.9	43%	0.434	36%	0.359	S	S	.	.	H	α-helix	trans	-60.8	-38.6	176.3	68.3	0	0	0	0	114.8	N371 S377	N371-S373 PolarHBondContact O-N 3.44Å; S373-S377 WeakPolarHBondContact O-CB 3.22Å; S373-S377 PolarHBondContact O-N 2.79Å; S373-S377 PolarHBondContact O-OG 2.99Å
374	A	40.7	Very low	37.7	Very low	8 Å²	8	72.6 Å²	72.6	7%	0.066	39%	0.388	C	S	.	.	H	α-helix	trans	-75.7	-40.6	-177.6	0	0	0	0	0	111.2	L370 N371 N372 L378 E399	L370-A374 HydrophobicContact CD2-CB 3.73Å; N371-A374 PolarHBondContact O-N 2.94Å; N372-A374 PolarHBondContact O-N 3.24Å; A374-L378 VanDerWaalsContact O-CB 3.3Å; A374-L378 WeakPolarHBondContact O-CB 3.44Å; A374-L378 PolarHBondContact O-N 3.45Å; A374-E399 VanDerWaalsContact CA-OE2 3.25Å; A374-E399 WeakPolarHBondContact CA-OE2 3.34Å; A374-E399 HydrophobicContact CB-CB 3.49Å; A374-E399 VanDerWaalsContact CB-CB 3.49Å; A374-E399 HydrophobicContact CB-CG 4.09Å
375	L	38	Very low	37.3	Very low	50 Å²	50	79.3 Å²	79.3	26%	0.262	42%	0.421	S	S	.	.	H	α-helix	trans	-67.3	-44.2	172.3	-163.4	70.3	0	0	0	110.4	L367 N371 N372 S377 L378 L379	L367-L375 HydrophobicContact CD2-CD1 4.24Å; N371-L375 PolarHBondContact O-N 3.34Å; N372-L375 PolarHBondContact O-N 2.67Å; L375-S377 VanDerWaalsContact C-N 3.31Å; L375-S377 PolarHBondContact O-N 3.49Å; L375-L378 CarbonylContact O-C 3.51Å; L375-L378 PolarHBondContact O-N 3.17Å; L375-L379 HydrophobicContact CD1-CD1 4.28Å; L375-L379 HydrophobicContact CD1-CG 4.32Å; L375-L379 HydrophobicContact CD2-CD1 3.92Å; L375-L379 HydrophobicContact CG-CD1 3.58Å; L375-L379 HydrophobicContact CG-CG 3.97Å; L375-L379 WeakPolarHBondContact O-CA 3.41Å; L375-L379 WeakPolarHBondContact O-CB 3.49Å; L375-L379 WeakPolarHBondContact O-CG 3.27Å; L375-L379 PolarHBondContact O-N 2.9Å
376	D	40.7	Very low	37	Very low	29 Å²	29	83 Å²	83	16%	0.155	45%	0.446	C	S	.	.	H	α-helix	trans	-60.8	-37.4	177.5	-72.7	-9.5	0	0	0	111.9	N372 L379 D380 I381 Q383	N372-D376 WeakPolarHBondContact O-CA 3.35Å; N372-D376 WeakPolarHBondContact O-CB 3.43Å; N372-D376 PolarHBondContact O-N 2.77Å; D376-L379 CarbonylContact O-C 3.54Å; D376-D380 VanDerWaalsContact O-CA 3.3Å; D376-D380 WeakPolarHBondContact O-CA 3.19Å; D376-D380 PolarHBondContact O-N 3.28Å; D376-I381 HydrophobicContact CB-CB 4.46Å; D376-I381 PolarHBondContact O-N 2.7Å; D376-Q383 PolarHBondContact OD2-NE2 2.83Å
377	S	41.7	Very low	36.6	Very low	37 Å²	37	87.5 Å²	87.5	26%	0.259	47%	0.467	S	S	.	.	H	α-helix	trans	-74.8	-27.7	175.1	-56.3	0	0	0	0	112.5	S373 L375	S373-S377 WeakPolarHBondContact O-CB 3.22Å; S373-S377 PolarHBondContact O-N 2.79Å; S373-S377 PolarHBondContact O-OG 2.99Å; L375-S377 VanDerWaalsContact C-N 3.31Å; L375-S377 PolarHBondContact O-N 3.49Å
378	L	35	Very low	36.2	Very low	33 Å²	33	92.2 Å²	92.2	17%	0.173	49%	0.489	C	S	.	.	H	α-helix	trans	-81.6	-31.3	174.4	-144.7	145.3	0	0	0	111.8	A308 C312 A374 L375 L400	A308-L378 WeakPolarHBondContact CB-O 3.49Å; C312-L378 HydrophobicContact CB-CD2 4.36Å; A374-L378 VanDerWaalsContact O-CB 3.3Å; A374-L378 WeakPolarHBondContact O-CB 3.44Å; A374-L378 PolarHBondContact O-N 3.45Å; L375-L378 CarbonylContact O-C 3.51Å; L375-L378 PolarHBondContact O-N 3.17Å; L378-L400 HydrophobicContact CD1-CD1 3.64Å
379	L	35.7	Very low	35.7	Very low	28 Å²	28	88.4 Å²	88.4	15%	0.147	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-3.9	176.5	-65.5	-177.6	0	0	0	112.5	S305 A309 L375 D376 I381	S305-L379 WeakPolarHBondContact CA-O 3.21Å; S305-L379 WeakPolarHBondContact CB-O 3.45Å; A309-L379 HydrophobicContact CB-CD2 3.29Å; L375-L379 HydrophobicContact CD1-CD1 4.28Å; L375-L379 HydrophobicContact CD1-CG 4.32Å; L375-L379 HydrophobicContact CD2-CD1 3.92Å; L375-L379 HydrophobicContact CG-CD1 3.58Å; L375-L379 HydrophobicContact CG-CG 3.97Å; L375-L379 WeakPolarHBondContact O-CA 3.41Å; L375-L379 WeakPolarHBondContact O-CB 3.49Å; L375-L379 WeakPolarHBondContact O-CG 3.27Å; L375-L379 PolarHBondContact O-N 2.9Å; D376-L379 CarbonylContact O-C 3.54Å; L379-I381 VanDerWaalsContact C-N 3.25Å; L379-I381 HydrophobicContact CB-CD1 4.02Å; L379-I381 HydrophobicContact CB-CG1 3.88Å; L379-I381 HydrophobicContact CD1-CD1 4.05Å; L379-I381 PolarHBondContact O-N 2.93Å
380	D	40.8	Very low	35.2	Very low	114 Å²	114	94 Å²	94	61%	0.61	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	44.5	179.8	-130	4.4	0	0	0	112.7	D376 P382	D376-D380 VanDerWaalsContact O-CA 3.3Å; D376-D380 WeakPolarHBondContact O-CA 3.19Å; D376-D380 PolarHBondContact O-N 3.28Å; D380-P382 VanDerWaalsContact O-CD 3.24Å; D380-P382 WeakPolarHBondContact O-CD 3.15Å
381	I	30.9	Very low	34.9	Very low	65 Å²	65	100 Å²	100	33%	0.333	53%	0.532	S	S	.	.			trans	-81.7	108.3	177.3	-58.2	175.7	0	0	0	107.5	D376 L379 Q383	D376-I381 HydrophobicContact CB-CB 4.46Å; D376-I381 PolarHBondContact O-N 2.7Å; L379-I381 VanDerWaalsContact C-N 3.25Å; L379-I381 HydrophobicContact CB-CD1 4.02Å; L379-I381 HydrophobicContact CB-CG1 3.88Å; L379-I381 HydrophobicContact CD1-CD1 4.05Å; L379-I381 PolarHBondContact O-N 2.93Å; I381-Q383 PolarHBondContact O-N 3.24Å; I381-Q383 VanDerWaalsContact O-N 3.09Å
382	P	35.8	Very low	34.4	Very low	114 Å²	114	101.9 Å²	101.9	74%	0.74	53%	0.534	S	S	*	.			trans	-74.6	108.7	-178.1	0.2	17.1	0	0	0	108	D380 N384	D380-P382 VanDerWaalsContact O-CD 3.24Å; D380-P382 WeakPolarHBondContact O-CD 3.15Å; P382-N384 VanDerWaalsContact C-N 3.34Å; P382-N384 PolarHBondContact O-N 3.29Å
383	Q	34.3	Very low	34.1	Very low	134 Å²	134	102.4 Å²	102.4	63%	0.626	54%	0.542	S	S	*	.			trans	-77.5	-14.8	-176.6	-79	-110.1	-5.9	0	0	113.8	D376 I381	D376-Q383 PolarHBondContact OD2-NE2 2.83Å; I381-Q383 PolarHBondContact O-N 3.24Å; I381-Q383 VanDerWaalsContact O-N 3.09Å
384	N	31.8	Very low	33.7	Very low	130 Å²	130	106 Å²	106	70%	0.695	55%	0.55	S	S	*	.			trans	-164.7	130	177	-90.7	-47.3	0	0	0	111.7	P382 S386	P382-N384 VanDerWaalsContact C-N 3.34Å; P382-N384 PolarHBondContact O-N 3.29Å; N384-S386 PolarHBondContact O-N 2.88Å
385	E	30.4	Very low	33.6	Very low	199 Å²	199	108.9 Å²	108.9	93%	0.93	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	6	178.5	-69.5	-174	145.3	0	0	114.7
386	S	32.3	Very low	33.4	Very low	94 Å²	94	106.6 Å²	106.6	66%	0.657	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	0.7	-167.9	59.6	0	0	0	0	116.2	N384	N384-S386 PolarHBondContact O-N 2.88Å
387	L	28.8	Very low	33.3	Very low	133 Å²	133	109 Å²	109	70%	0.696	56%	0.562	S	S	*	*			trans	-114	73.3	169.3	-91.6	93.6	0	0	0	112	N389	L387-N389 PolarHBondContact O-N 3.15Å
388	M	25.5	Very low	33.2	Very low	179 Å²	179	109.9 Å²	109.9	88%	0.882	57%	0.568	S	S	*	*			trans	-69.8	36	157.2	-79	-94.1	-115.4	0	0	112.2
389	N	30.1	Very low	33.6	Very low	119 Å²	119	110.4 Å²	110.4	64%	0.636	57%	0.569	S	S	*	*	S	Bend	trans	-121.8	86.6	-176.6	-121.3	0.3	0	0	0	109.3	L387 D391	L387-N389 PolarHBondContact O-N 3.15Å; N389-D391 PolarHBondContact O-N 3.13Å
390	F	28.2	Very low	33.8	Very low	198 Å²	198	110.3 Å²	110.3	87%	0.868	57%	0.569	S	S	*	*			trans	22.6	22.6	152	-67.6	-79.6	0	0	0	122.4	F392	F390-F392 PolarHBondContact O-N 2.68Å; F390-F392 VanDerWaalsContact O-N 3.15Å
391	D	29.5	Very low	33.8	Very low	135 Å²	135	106.1 Å²	106.1	72%	0.722	55%	0.546	S	S	*	.			trans	-85.6	96.9	177.1	-79.5	-24	0	0	0	109.9	N389 V393	N389-D391 PolarHBondContact O-N 3.13Å; D391-V393 PolarHBondContact O-N 3.27Å
392	F	30.5	Very low	34.4	Very low	164 Å²	164	106.1 Å²	106.1	72%	0.719	55%	0.547	S	S	*	.			trans	16.9	104.1	152.9	-60.4	-87.2	0	0	0	115.1	F390 K394	F390-F392 PolarHBondContact O-N 2.68Å; F390-F392 VanDerWaalsContact O-N 3.15Å; F392-K394 PolarHBondContact O-N 3.28Å
393	V	33.9	Very low	34.7	Very low	126 Å²	126	101.4 Å²	101.4	76%	0.764	52%	0.516	S	S	*	.			trans	-42.2	98.6	170.9	-178.9	0	0	0	0	109.4	D391 T395	D391-V393 PolarHBondContact O-N 3.27Å; V393-T395 PolarHBondContact O-N 2.71Å
394	K	33.2	Very low	34.9	Very low	138 Å²	138	99.1 Å²	99.1	60%	0.6	51%	0.513	S	S	*	.			trans	-69.3	102	175.1	-82.3	-175.6	176.3	-179	0	106.5	F392 G396	F392-K394 PolarHBondContact O-N 3.28Å; K394-G396 PolarHBondContact O-N 2.78Å
395	T	38.4	Very low	35.3	Very low	67 Å²	67	95.8 Å²	95.8	41%	0.411	49%	0.493	S	S	.	.			trans	-66.1	120.1	171	59	0	0	0	0	107.5	V393 W397 S398	V393-T395 PolarHBondContact O-N 2.71Å; T395-W397 PolarHBondContact O-N 2.98Å; T395-S398 PolarHBondContact O-N 3.36Å; T395-S398 PolarHBondContact O-OG 3.16Å; T395-S398 VanDerWaalsContact O-OG 3.1Å
396	G	35.1	Very low	35.6	Very low	3 Å²	3	87.2 Å²	87.2	3%	0.031	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-11.7	178.3	0	0	0	0	0	114.9	K394 S398 E399 L400	K394-G396 PolarHBondContact O-N 2.78Å; G396-S398 VanDerWaalsContact C-N 3.34Å; G396-S398 PolarHBondContact O-N 3.48Å; G396-E399 PolarHBondContact O-N 2.97Å; G396-L400 WeakPolarHBondContact O-CB 3.19Å; G396-L400 PolarHBondContact O-N 3.41Å
397	W	36.8	Very low	35.9	Very low	80 Å²	80	89 Å²	89	30%	0.303	45%	0.452	S	S	.	.	H	α-helix	trans	-55.9	-38.7	168.7	-75.7	105.2	0	0	0	114.9	L361 T395 E399 L400 I401 F427	L361-W397 HydrophobicContact CD1-CZ3 4.44Å; T395-W397 PolarHBondContact O-N 2.98Å; W397-E399 VanDerWaalsContact C-N 3.28Å; W397-E399 PolarHBondContact O-N 3.38Å; W397-L400 PolarHBondContact O-N 2.99Å; W397-I401 WeakPolarHBondContact O-CG1 3.46Å; W397-I401 PolarHBondContact O-N 3.14Å; W397-F427 HydrophobicContact CB-CE1 4.27Å; W397-F427 HydrophobicContact CB-CZ 4.46Å; W397-F427 HydrophobicContact CG-CE1 4.39Å
398	S	41.1	Very low	36.4	Very low	55 Å²	55	86.7 Å²	86.7	39%	0.385	45%	0.447	S	S	.	.	H	α-helix	trans	-67.7	-33.1	179.4	59.8	0	0	0	0	111.4	T395 G396 N402	T395-S398 PolarHBondContact O-N 3.36Å; T395-S398 PolarHBondContact O-OG 3.16Å; T395-S398 VanDerWaalsContact O-OG 3.1Å; G396-S398 VanDerWaalsContact C-N 3.34Å; G396-S398 PolarHBondContact O-N 3.48Å; S398-N402 WeakPolarHBondContact O-CB 3.44Å; S398-N402 PolarHBondContact O-N 2.82Å; S398-N402 PolarHBondContact O-ND2 3.4Å
399	E	43.6	Very low	36.9	Very low	43 Å²	43	82.3 Å²	82.3	20%	0.201	43%	0.425	C	S	.	.	H	α-helix	trans	-77.7	-36	176.2	-73.6	159.5	145.6	0	0	111.7	A374 G396 W397 I401 N402 V403	A374-E399 VanDerWaalsContact CA-OE2 3.25Å; A374-E399 WeakPolarHBondContact CA-OE2 3.34Å; A374-E399 HydrophobicContact CB-CB 3.49Å; A374-E399 VanDerWaalsContact CB-CB 3.49Å; A374-E399 HydrophobicContact CB-CG 4.09Å; G396-E399 PolarHBondContact O-N 2.97Å; W397-E399 VanDerWaalsContact C-N 3.28Å; W397-E399 PolarHBondContact O-N 3.38Å; E399-I401 PolarHBondContact O-N 3.36Å; E399-N402 PolarHBondContact O-N 2.9Å; E399-N402 VanDerWaalsContact O-N 3.07Å; E399-V403 VanDerWaalsContact O-CG2 3.29Å; E399-V403 WeakPolarHBondContact O-CG2 3.12Å; E399-V403 PolarHBondContact O-N 3.14Å
400	L	39.1	Very low	37.1	Very low	26 Å²	26	80.3 Å²	80.3	14%	0.136	42%	0.42	C	S	.	.	H	α-helix	trans	-66.2	-34.8	179.4	-148.6	135.9	0	0	0	113.2	L361 L370 L378 G396 W397 N402 V403	L361-L400 HydrophobicContact CB-CD2 4.45Å; L361-L400 HydrophobicContact CD2-CD2 3.54Å; L370-L400 HydrophobicContact CD1-CD1 4.18Å; L370-L400 HydrophobicContact CD2-CD1 4.23Å; L370-L400 HydrophobicContact CD2-CG 4.42Å; L378-L400 HydrophobicContact CD1-CD1 3.64Å; G396-L400 WeakPolarHBondContact O-CB 3.19Å; G396-L400 PolarHBondContact O-N 3.41Å; W397-L400 PolarHBondContact O-N 2.99Å; L400-N402 VanDerWaalsContact C-N 3.32Å; L400-V403 WeakPolarHBondContact O-CG2 3.27Å
401	I	41.4	Very low	37.3	Very low	27 Å²	27	72.5 Å²	72.5	14%	0.138	39%	0.387	C	S	.	.	H	α-helix	trans	-75.5	-24.4	172.8	-63.6	168.2	0	0	0	111.5	W397 E399 V403	W397-I401 WeakPolarHBondContact O-CG1 3.46Å; W397-I401 PolarHBondContact O-N 3.14Å; E399-I401 PolarHBondContact O-N 3.36Å; I401-V403 VanDerWaalsContact C-N 3.32Å
402	N	43.3	Very low	37.5	Very low	65 Å²	65	68.7 Å²	68.7	35%	0.348	37%	0.37	S	S	.	.	H	α-helix	trans	-82.4	-9.6	-179.4	-84.9	-46.4	0	0	0	114	S398 E399 L400 K407	S398-N402 WeakPolarHBondContact O-CB 3.44Å; S398-N402 PolarHBondContact O-N 2.82Å; S398-N402 PolarHBondContact O-ND2 3.4Å; E399-N402 PolarHBondContact O-N 2.9Å; E399-N402 VanDerWaalsContact O-N 3.07Å; L400-N402 VanDerWaalsContact C-N 3.32Å; N402-K407 VanDerWaalsContact OD1-CE 3.27Å; N402-K407 WeakPolarHBondContact OD1-CE 3.18Å; N402-K407 PolarHBondContact OD1-NZ 3.5Å
403	V	41.1	Very low	37.7	Very low	15 Å²	15	67.8 Å²	67.8	9%	0.091	37%	0.372	C	S	.	.	S	Bend	trans	-62	132.4	177.4	-160.9	0	0	0	0	109	I369 E399 L400 I401 E405 A406 K407	I369-V403 HydrophobicContact CG2-CG1 4.13Å; E399-V403 VanDerWaalsContact O-CG2 3.29Å; E399-V403 WeakPolarHBondContact O-CG2 3.12Å; E399-V403 PolarHBondContact O-N 3.14Å; L400-V403 WeakPolarHBondContact O-CG2 3.27Å; I401-V403 VanDerWaalsContact C-N 3.32Å; V403-E405 WeakPolarHBondContact CG1-OE2 3.39Å; V403-E405 PolarHBondContact O-N 3.22Å; V403-A406 WeakPolarHBondContact O-CB 3.37Å; V403-A406 PolarHBondContact O-N 2.97Å; V403-K407 PolarHBondContact O-N 3.46Å
404	P	39.9	Very low	37.8	Very low	86 Å²	86	66.5 Å²	66.5	56%	0.558	37%	0.368	S	S	*	.	H	α-helix	trans	-54.8	-31.1	-170.8	-27	33.8	0	0	0	114.8	K407 S408	P404-K407 PolarHBondContact O-N 3.29Å; P404-S408 WeakPolarHBondContact O-CB 3.31Å; P404-S408 PolarHBondContact O-N 3.19Å; P404-S408 PolarHBondContact O-OG 3.36Å
405	E	38.7	Very low	37.6	Very low	59 Å²	59	63.2 Å²	63.2	28%	0.276	35%	0.354	S	S	.	.	H	α-helix	trans	-64.9	-38.5	175.6	-64	84.9	176.5	0	0	112.1	I369 V403 K407 S408 Q409	I369-E405 VanDerWaalsContact CD1-OE1 3.27Å; I369-E405 WeakPolarHBondContact CD1-OE1 3.28Å; V403-E405 WeakPolarHBondContact CG1-OE2 3.39Å; V403-E405 PolarHBondContact O-N 3.22Å; E405-K407 VanDerWaalsContact C-N 3.29Å; E405-K407 PolarHBondContact O-N 3.45Å; E405-S408 WeakPolarHBondContact CA-OG 3.49Å; E405-S408 PolarHBondContact O-N 2.65Å; E405-S408 PolarHBondContact O-OG 3.15Å; E405-Q409 PolarHBondContact O-N 2.89Å
406	A	37.5	Very low	37.3	Very low	20 Å²	20	62.4 Å²	62.4	17%	0.165	35%	0.351	C	S	.	.	H	α-helix	trans	-67.4	-30.5	175.3	0	0	0	0	0	112.2	V403 L411	V403-A406 WeakPolarHBondContact O-CB 3.37Å; V403-A406 PolarHBondContact O-N 2.97Å; A406-L411 HydrophobicContact CB-CD1 3.88Å; A406-L411 WeakPolarHBondContact O-CD1 2.97Å
407	K	39.5	Very low	37.3	Very low	131 Å²	131	67 Å²	67	57%	0.57	38%	0.375	S	S	*	.	H	α-helix	trans	-80.6	-31.5	175.4	-73.1	-178.9	174.4	165.9	0	113.5	N402 V403 P404 E405	N402-K407 VanDerWaalsContact OD1-CE 3.27Å; N402-K407 WeakPolarHBondContact OD1-CE 3.18Å; N402-K407 PolarHBondContact OD1-NZ 3.5Å; V403-K407 PolarHBondContact O-N 3.46Å; P404-K407 PolarHBondContact O-N 3.29Å; E405-K407 VanDerWaalsContact C-N 3.29Å; E405-K407 PolarHBondContact O-N 3.45Å
408	S	38.3	Very low	36.9	Very low	84 Å²	84	66.5 Å²	66.5	59%	0.587	38%	0.382	S	S	*	.	H	α-helix	trans	-84.8	-14.6	-172.7	56	0	0	0	0	114.3	P404 E405	P404-S408 WeakPolarHBondContact O-CB 3.31Å; P404-S408 PolarHBondContact O-N 3.19Å; P404-S408 PolarHBondContact O-OG 3.36Å; E405-S408 WeakPolarHBondContact CA-OG 3.49Å; E405-S408 PolarHBondContact O-N 2.65Å; E405-S408 PolarHBondContact O-OG 3.15Å
409	Q	36.2	Very low	36.3	Very low	88 Å²	88	71.2 Å²	71.2	41%	0.411	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.7	91.9	-178.2	-64.4	-171.7	-3.4	0	0	112.3	E405 L411	E405-Q409 PolarHBondContact O-N 2.89Å; Q409-L411 VanDerWaalsContact C-N 3.33Å; Q409-L411 PolarHBondContact O-N 2.73Å
410	S	34.8	Very low	35.6	Very low	77 Å²	77	70.9 Å²	70.9	54%	0.538	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	37	45.9	152.5	64.9	0	0	0	0	117.8	Y213	Y213-S410 WeakPolarHBondContact OH-CB 3.43Å; Y213-S410 PolarHBondContact OH-OG 3.07Å
411	L	32.4	Very low	35.1	Very low	33 Å²	33	76.1 Å²	76.1	17%	0.173	44%	0.438	C	S	.	.			trans	-66.5	135.1	158.6	-96.7	142.3	0	0	0	108	A357 L361 A406 Q409 L413 F415	A357-L411 HydrophobicContact CB-CD2 4.05Å; L361-L411 HydrophobicContact CD1-CD2 4.47Å; A406-L411 HydrophobicContact CB-CD1 3.88Å; A406-L411 WeakPolarHBondContact O-CD1 2.97Å; Q409-L411 VanDerWaalsContact C-N 3.33Å; Q409-L411 PolarHBondContact O-N 2.73Å; L411-L413 PolarHBondContact O-N 2.94Å; L411-F415 HydrophobicContact CD2-CB 4.43Å
412	P	33.8	Very low	34.4	Very low	55 Å²	55	75.9 Å²	75.9	36%	0.357	44%	0.443	S	S	.	.			trans	-52.8	134.1	175.8	-24.5	32.7	0	0	0	110.6	S414 F415	P412-S414 PolarHBondContact O-N 3.04Å; P412-F415 PolarHBondContact O-N 3.13Å
413	L	33.5	Very low	33.7	Very low	146 Å²	146	81.7 Å²	81.7	76%	0.764	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-19.3	-169.4	-96.3	141.3	0	0	0	115.7	L411 F415 S416	L411-L413 PolarHBondContact O-N 2.94Å; L413-F415 PolarHBondContact O-N 3.27Å; L413-S416 WeakPolarHBondContact CA-OG 3.28Å; L413-S416 PolarHBondContact O-N 3.26Å; L413-S416 PolarHBondContact O-OG 2.94Å
414	S	35.2	Very low	33.3	Very low	99 Å²	99	86.8 Å²	86.8	69%	0.692	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.1	174.4	68	0	0	0	0	114	P412	P412-S414 PolarHBondContact O-N 3.04Å
415	F	30.8	Very low	32.9	Very low	69 Å²	69	84.6 Å²	84.6	30%	0.303	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-18.8	178.2	-68.2	-77.8	0	0	0	113.7	L411 P412 L413 D417	L411-F415 HydrophobicContact CD2-CB 4.43Å; P412-F415 PolarHBondContact O-N 3.13Å; L413-F415 PolarHBondContact O-N 3.27Å; F415-D417 PolarHBondContact O-N 3.41Å
416	S	32.1	Very low	32.4	Very low	49 Å²	49	86.7 Å²	86.7	34%	0.343	50%	0.503	S	S	.	.	S	Bend	trans	-87.6	-0.1	-169.6	62.4	0	0	0	0	114.5	L413 P418	L413-S416 WeakPolarHBondContact CA-OG 3.28Å; L413-S416 PolarHBondContact O-N 3.26Å; L413-S416 PolarHBondContact O-OG 2.94Å; S416-P418 WeakPolarHBondContact O-CD 3.22Å
417	D	34.4	Very low	32.1	Very low	100 Å²	100	90.2 Å²	90.2	54%	0.535	52%	0.515	S	S	.	.			trans	-114.5	85.5	179.8	-152.9	-11	0	0	0	113	F415 L419 G420	F415-D417 PolarHBondContact O-N 3.41Å; D417-L419 PolarHBondContact O-N 2.96Å; D417-L419 PolarHBondContact OD1-N 3.33Å; D417-G420 PolarHBondContact O-N 3.09Å
418	P	27.8	Very low	31.5	Very low	69 Å²	69	88.4 Å²	88.4	45%	0.448	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-7.5	179.3	28.8	-33.3	0	0	0	113.5	S416	S416-P418 WeakPolarHBondContact O-CD 3.22Å
419	L	29.5	Very low	31	Very low	155 Å²	155	90 Å²	90	81%	0.812	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	1.3	-179.6	-71.5	163.7	0	0	0	113.1	D417 N421	D417-L419 PolarHBondContact O-N 2.96Å; D417-L419 PolarHBondContact OD1-N 3.33Å; L419-N421 PolarHBondContact O-N 2.88Å
420	G	27.5	Very low	30.4	Very low	36 Å²	36	90.6 Å²	90.6	37%	0.371	52%	0.522	S	S	.	.	S	Bend	trans	-68.6	97.8	166.5	0	0	0	0	0	111	D417 G422	D417-G420 PolarHBondContact O-N 3.09Å; G420-G422 PolarHBondContact O-N 3.2Å
421	N	29.9	Very low	30	Very low	136 Å²	136	90.5 Å²	90.5	73%	0.727	52%	0.521	S	S	*	.			trans	-39.1	123.6	170.7	-95.3	-33.3	0	0	0	111.1	L419 K423	L419-N421 PolarHBondContact O-N 2.88Å; N421-K423 PolarHBondContact O-N 3.37Å
422	G	27.1	Very low	29.6	Very low	22 Å²	22	92.8 Å²	92.8	23%	0.227	54%	0.54	C	S	.	.	S	Bend	trans	-41.2	131	169	0	0	0	0	0	110.6	G420	G420-G422 PolarHBondContact O-N 3.2Å
423	K	28.5	Very low	29.3	Very low	186 Å²	186	97.6 Å²	97.6	81%	0.809	56%	0.561	S	S	*	*	S	Bend		-147.2	3.7	80.3	-81.6	165.1	-176.5	-177.5	0	114.4	N421	N421-K423 PolarHBondContact O-N 3.37Å
424	S	32.3	Very low	28.8	Very low	122 Å²	122	99.7 Å²	99.7	85%	0.853	56%	0.564	S	S	*	*	S	Bend	trans	-95	-4.1	166	47.5	0	0	0	0	112.4	P426	S424-P426 WeakPolarHBondContact O-CD 3.23Å
425	N	31	Very low	28.4	Very low	41 Å²	41	99.2 Å²	99.2	22%	0.219	56%	0.561	C	S	.	*	S	Bend	trans	-81.8	115.5	172	-167.8	-16.8	0	0	0	108.9	F427 H428	N425-F427 PolarHBondContact O-N 3.33Å; N425-F427 VanDerWaalsContact OD1-CD2 3.27Å; N425-F427 WeakPolarHBondContact OD1-CD2 3.25Å; N425-F427 PolarHBondContact OD1-N 3.31Å; N425-H428 PolarHBondContact O-N 3.14Å; N425-H428 VanDerWaalsContact O-N 3.11Å
426	P	28.6	Very low	28.1	Very low	103 Å²	103	103 Å²	103	67%	0.669	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	-15.8	-175.3	20.1	-31.4	0	0	0	114	S424	S424-P426 WeakPolarHBondContact O-CD 3.23Å
427	F	31.2	Very low	27.8	Very low	93 Å²	93	107.7 Å²	107.7	41%	0.408	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.1	-24.8	179.3	-66.3	-73.4	0	0	0	114.5	W397 N425 I429	W397-F427 HydrophobicContact CB-CE1 4.27Å; W397-F427 HydrophobicContact CB-CZ 4.46Å; W397-F427 HydrophobicContact CG-CE1 4.39Å; N425-F427 PolarHBondContact O-N 3.33Å; N425-F427 VanDerWaalsContact OD1-CD2 3.27Å; N425-F427 WeakPolarHBondContact OD1-CD2 3.25Å; N425-F427 PolarHBondContact OD1-N 3.31Å; F427-I429 PolarHBondContact O-N 3.34Å
428	H	27.2	Very low	27.3	Very low	94 Å²	94	115.4 Å²	115.4	44%	0.435	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.9	-0.7	-166.6	-120.1	-57.8	0	0	0	116.1	N425	N425-H428 PolarHBondContact O-N 3.14Å; N425-H428 VanDerWaalsContact O-N 3.11Å
429	I	26.4	Very low	27.3	Very low	118 Å²	118	116.3 Å²	116.3	61%	0.605	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-15.9	177.2	-59.9	176.3	0	0	0	111.7	F427 S431 S432	F427-I429 PolarHBondContact O-N 3.34Å; I429-S431 PolarHBondContact O-N 3.01Å; I429-S431 VanDerWaalsContact O-N 3.09Å; I429-S432 PolarHBondContact O-OG 3.32Å
430	C	24.9	Very low	27.2	Very low	99 Å²	99	114.5 Å²	114.5	67%	0.669	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-16.1	174.1	-70.7	0	0	0	0	113.8
431	S	25.8	Very low	27.1	Very low	76 Å²	76	121.7 Å²	121.7	53%	0.531	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.6	15.4	-172.5	77	0	0	0	0	115.3	I429	I429-S431 PolarHBondContact O-N 3.01Å; I429-S431 VanDerWaalsContact O-N 3.09Å
432	S	24.4	Very low	26.8	Very low	80 Å²	80	124.2 Å²	124.2	56%	0.559	67%	0.665	S	S	*	*			trans	-127.7	68.1	-172.9	42	0	0	0	0	114.8	I429	I429-S432 PolarHBondContact O-OG 3.32Å
433	I	26.5	Very low	26.8	Very low	156 Å²	156	128.6 Å²	128.6	80%	0.8	69%	0.692	S	S	*	*			trans	-129.5	99.1	144	-60.1	-178.1	0	0	0	108.1
434	K	24.5	Very low	26.5	Very low	190 Å²	190	129.6 Å²	129.6	83%	0.826	70%	0.697	S	S	*	*			trans	-64.2	144.2	163.6	-85.5	-179.3	172.2	-178.3	0	109.5
435	S	25.4	Very low	26.1	Very low	90 Å²	90	132 Å²	132	63%	0.629	69%	0.692	S	S	*	*	S	Bend	trans	1.2	138.8	146.6	57.3	0	0	0	0	117.3
436	D	25.2	Very low	25.9	Very low	148 Å²	148	134.4 Å²	134.4	79%	0.791	71%	0.711	S	S	*	*			trans	114.2	50.3	153.8	-52.6	-28.6	0	0	0	116.7
437	I	24.8	Very low	25.7	Very low	148 Å²	148	135.7 Å²	135.7	76%	0.759	71%	0.712	S	S	*	*			trans	-134.6	92.3	142.5	-55.4	-179.2	0	0	0	109	S439	I437-S439 VanDerWaalsContact CG2-OG 3.23Å; I437-S439 WeakPolarHBondContact CG2-OG 3.49Å; I437-S439 PolarHBondContact O-N 2.75Å
438	R	25.1	Very low	25.4	Very low	262 Å²	262	135.5 Å²	135.5	99%	0.989	72%	0.721	S	S	*	*			trans	-67.7	85.2	156.4	-75.5	-178.1	179.5	-166.8	0	108
439	S	28.3	Very low	25.3	Very low	87 Å²	87	137.3 Å²	137.3	61%	0.608	74%	0.738	S	S	*	*			trans	-156.6	119.2	155.4	59	0	0	0	0	108.6	I437 E441	I437-S439 VanDerWaalsContact CG2-OG 3.23Å; I437-S439 WeakPolarHBondContact CG2-OG 3.49Å; I437-S439 PolarHBondContact O-N 2.75Å; S439-E441 PolarHBondContact O-N 2.92Å
440	S	26.9	Very low	25.1	Very low	117 Å²	117	142.5 Å²	142.5	82%	0.818	75%	0.751	S	S	*	*			trans	-49.1	109.9	176.2	50.8	0	0	0	0	112.3
441	E	25.7	Very low	25.1	Very low	188 Å²	188	144 Å²	144	88%	0.879	75%	0.751	S	S	*	*			trans	-157.2	118	146.3	-111.3	169.6	-153.5	0	0	108.7	S439	S439-E441 PolarHBondContact O-N 2.92Å
442	Q	24	Very low	25	Very low	188 Å²	188	146 Å²	146	88%	0.879	76%	0.762	S	S	*	*			trans	-61.9	148	-179.8	-72.7	159.5	-41.5	0	0	110.5
443	S	26.2	Very low	25	Very low	115 Å²	115	148.6 Å²	148.6	80%	0.804	77%	0.768	S	S	*	*			trans	87.1	53.6	163.7	81.6	0	0	0	0	119.5
444	K	22.9	Very low	24.8	Very low	206 Å²	206	148.1 Å²	148.1	90%	0.896	77%	0.767	S	S	*	*			trans	-105.1	84	147.7	-75.5	-177	-178.6	174	0	109.7
445	K	23.2	Very low	24.8	Very low	174 Å²	174	146.2 Å²	146.2	76%	0.757	77%	0.767	S	S	*	*			trans	-50.6	138.7	163.1	-82.9	175.9	174.2	174.6	0	108.8
446	S	26.4	Very low	24.7	Very low	90 Å²	90	149.8 Å²	149.8	63%	0.629	77%	0.773	S	S	*	*			trans	-42.6	128.9	-175	42.8	0	0	0	0	113.7	C448	S446-C448 PolarHBondContact O-N 3.38Å
447	I	25.6	Very low	24.7	Very low	131 Å²	131	150.3 Å²	150.3	67%	0.672	77%	0.774	S	S	*	*			trans	-68.2	20.2	179	-73.1	161.2	0	0	0	112.5	T449	I447-T449 PolarHBondContact O-N 3.38Å
448	C	24.1	Very low	24.5	Very low	89 Å²	89	148.6 Å²	148.6	60%	0.601	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	12.2	-179.7	-64.5	0	0	0	0	114.6	S446	S446-C448 PolarHBondContact O-N 3.38Å
449	T	25.3	Very low	24.4	Very low	131 Å²	131	141.3 Å²	141.3	80%	0.804	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.3	14.3	-171.1	51	0	0	0	0	115.6	I447	I447-T449 PolarHBondContact O-N 3.38Å
450	R	21.9	Very low	24.2	Very low	228 Å²	228	143.6 Å²	143.6	86%	0.86	76%	0.763	S	S	*	*			trans	-122.9	114.3	171.6	-92.9	-178.7	171.4	154.3	-3.3	113.4
451	L	25	Very low	24	Very low	129 Å²	129	147.2 Å²	147.2	68%	0.675	76%	0.764	S	S	*	*			trans	-71.3	138.9	155.9	-92.8	117.4	0	0	0	108.8	I453	L451-I453 PolarHBondContact O-N 3.15Å; L451-I453 VanDerWaalsContact O-N 3.07Å
452	P	24.4	Very low	24	Very low	119 Å²	119	144.2 Å²	144.2	77%	0.773	75%	0.753	S	S	*	*	S	Bend	trans	-84.6	87.9	-174	33	-31.9	0	0	0	110.4
453	I	23.3	Very low	24	Very low	134 Å²	134	145.1 Å²	145.1	69%	0.687	76%	0.758	S	S	*	*			trans	-145.5	91.7	152.6	-50.8	176.6	0	0	0	105.1	L451	L451-I453 PolarHBondContact O-N 3.15Å; L451-I453 VanDerWaalsContact O-N 3.07Å
454	D	23.6	Very low	23.9	Very low	146 Å²	146	147.1 Å²	147.1	78%	0.781	75%	0.754	S	S	*	*			trans	171.3	90.5	153.3	-85.2	-20.2	0	0	0	107.7
455	N	23.1	Very low	24.2	Very low	151 Å²	151	141.4 Å²	141.4	81%	0.807	74%	0.74	S	S	*	*	S	Bend	trans	-135.5	111.5	147.2	-100.4	2.3	0	0	0	107.2
456	E	24.8	Very low	24.3	Very low	165 Å²	165	143.1 Å²	143.1	77%	0.771	75%	0.748	S	S	*	*			trans	68	88.5	146.8	-59.4	178.9	175.4	0	0	117.4	P458	E456-P458 WeakPolarHBondContact O-CD 3.34Å
457	I	23.7	Very low	24.4	Very low	158 Å²	158	147.4 Å²	147.4	81%	0.81	76%	0.755	S	S	*	*			trans	-93.7	105.4	141.5	-59.5	170.5	0	0	0	106.9
458	P	21.9	Very low	24.8	Very low	113 Å²	113	147.1 Å²	147.1	73%	0.734	76%	0.759	S	S	*	*			trans	-75.1	120.6	151.7	-2.7	20.6	0	0	0	107.8	E456	E456-P458 WeakPolarHBondContact O-CD 3.34Å
459	T	23.1	Very low	25.5	Very low	109 Å²	109	146.7 Å²	146.7	67%	0.669	76%	0.755	S	S	*	*			trans	-65.4	136.3	168.5	45.6	0	0	0	0	111.5
460	N	23.1	Very low	26.3	Very low	135 Å²	135	146.8 Å²	146.8	72%	0.722	75%	0.751	S	S	*	*			trans	108.6	118.8	151.7	-59.3	-22.1	0	0	0	117.6
461	F	23.2	Very low	27.5	Very low	192 Å²	192	144.7 Å²	144.7	84%	0.842	75%	0.751	S	S	*	*			trans	66.4	112	172.9	-61.3	-86.4	0	0	0	112.9
462	I	25.7	Very low	28.8	Very low	126 Å²	126	148 Å²	148	65%	0.646	76%	0.76	S	S	*	*				-158.7	113.2	72.6	-81.3	155.7	0	0	0	108.5	E464	I462-E464 HydrophobicContact CG2-CB 3.31Å; I462-E464 HydrophobicContact CG2-CG 3.34Å; I462-E464 PolarHBondContact O-N 3.08Å; I462-E464 VanDerWaalsContact O-N 3.08Å
463	E	23.6	Very low	30.1	Very low	207 Å²	207	145.8 Å²	145.8	97%	0.967	74%	0.741	S	S	*	*			trans	-71.8	74.1	150.1	-76.7	-176.5	151.8	0	0	107.4	S465	E463-S465 PolarHBondContact O-N 3.03Å
464	E	24.8	Very low	31.5	Very low	156 Å²	156	142.2 Å²	142.2	73%	0.729	73%	0.726	S	S	*	*			trans	-88.2	105.1	160	-94.4	172.2	-169.4	0	0	106.4	I462 K466	I462-E464 HydrophobicContact CG2-CB 3.31Å; I462-E464 HydrophobicContact CG2-CG 3.34Å; I462-E464 PolarHBondContact O-N 3.08Å; I462-E464 VanDerWaalsContact O-N 3.08Å; E464-K466 PolarHBondContact O-N 3.33Å
465	S	28.2	Very low	33.2	Very low	86 Å²	86	140.3 Å²	140.3	60%	0.601	72%	0.716	S	S	*	*			trans	-12.1	113.4	159.4	56.7	0	0	0	0	112.8	E463 K467	E463-S465 PolarHBondContact O-N 3.03Å; S465-K467 PolarHBondContact O-N 3.48Å
466	K	26.3	Very low	35.2	Very low	211 Å²	211	134 Å²	134	92%	0.917	68%	0.683	S	S	*	*			trans	-57.8	81	158.1	-75.6	177.2	175.7	175	0	108.2	E464 T468	E464-K466 PolarHBondContact O-N 3.33Å; K466-T468 PolarHBondContact O-N 3.47Å
467	K	27.9	Very low	37.1	Very low	180 Å²	180	126.9 Å²	126.9	78%	0.783	65%	0.65	S	S	*	*			trans	-71.5	109.1	165.4	-80.3	-176	177.7	178.6	0	105.9	S465	S465-K467 PolarHBondContact O-N 3.48Å
468	T	33.4	Very low	39	Very low	125 Å²	125	125 Å²	125	77%	0.767	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-51.1	130.9	165.2	43.3	0	0	0	0	108.4	K466 D470	K466-T468 PolarHBondContact O-N 3.47Å; T468-D470 PolarHBondContact O-N 2.67Å
469	P	38.7	Very low	41	Very low	79 Å²	79	122.7 Å²	122.7	51%	0.513	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-65.3	125.7	-171.6	25	-31.6	0	0	0	110.1
470	D	41.7	Very low	42.5	Very low	133 Å²	133	123.7 Å²	123.7	71%	0.711	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-55.6	140.8	171.2	-80.4	-36.4	0	0	0	109.9	T468 K472 N473	T468-D470 PolarHBondContact O-N 2.67Å; D470-K472 PolarHBondContact O-N 3.23Å; D470-N473 PolarHBondContact O-N 3.12Å
471	E	48.8	Very low	44.2	Very low	184 Å²	184	117.4 Å²	117.4	86%	0.86	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-51.7	-17.8	-177.3	-76.7	179.5	152.5	0	0	114.3	N473 V474	E471-N473 VanDerWaalsContact C-N 3.33Å; E471-N473 PolarHBondContact O-N 2.79Å; E471-V474 WeakPolarHBondContact O-CG2 3.31Å
472	K	50.8	Low	45.7	Very low	198 Å²	198	113.4 Å²	113.4	86%	0.861	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-74.5	-15.5	176.9	-69	-174.1	177	-178.1	0	114.8	D470	D470-K472 PolarHBondContact O-N 3.23Å
473	N	52.7	Low	46.9	Very low	73 Å²	73	111.9 Å²	111.9	39%	0.39	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-98.8	10.4	-177.6	-87.9	-9	0	0	0	114.5	D470 E471 C476 C587	D470-N473 PolarHBondContact O-N 3.12Å; E471-N473 VanDerWaalsContact C-N 3.33Å; E471-N473 PolarHBondContact O-N 2.79Å; N473-C476 PolarHBondContact OD1-SG 2.94Å; N473-C587 PolarHBondContact OD1-SG 3.04Å; N473-C587 VanDerWaalsContact OD1-SG 3.41Å
474	V	51.9	Low	48.8	Very low	59 Å²	59	102.6 Å²	102.6	36%	0.358	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-32.1	-173.2	-176.2	0	0	0	0	112.2	E471 R485	E471-V474 WeakPolarHBondContact O-CG2 3.31Å; V474-R485 HydrophobicContact CG1-CB 4.01Å; V474-R485 PolarHBondContact O-N 3.22Å
475	D	60.6	Low	50.4	Low	106 Å²	106	99.5 Å²	99.5	57%	0.567	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	19.1	-174.3	-69.2	-29.7	0	0	0	114.2	G486	D475-G486 VanDerWaalsContact OD1-CA 3.32Å; D475-G486 WeakPolarHBondContact OD1-CA 3.42Å
476	C	65	Low	52.1	Low	18 Å²	18	95.4 Å²	95.4	12%	0.122	49%	0.487	C	S	.	.	S	Bend	trans	-138.1	149.8	178.2	65	0	0	0	0	112.5	N473 P585 C587	N473-C476 PolarHBondContact OD1-SG 2.94Å; C476-P585 CarbonylContact C-O 3.58Å; C476-P585 WeakPolarHBondContact CA-O 3.45Å; C476-P585 WeakPolarHBondContact CB-O 3.38Å; C476-C587 VanDerWaalsContact CB-CA 3.47Å; C476-C587 HydrophobicContact CB-CB 3.83Å; C476-C587 WeakPolarHBondContact CB-SG 3.33Å; C476-C587 PolarHBondContact O-SG 3.38Å; C476-C587 WeakPolarHBondContact SG-CA 3.1Å; C476-C587 WeakPolarHBondContact SG-CB 3.49Å; C476-C587 CovalentContact SG-SG 2.03Å; C476-C587 PolarHBondContact SG-SG 3.34Å
477	I	64.4	Low	54	Low	17 Å²	17	90.3 Å²	90.3	9%	0.087	47%	0.469	C	S	.	.	B	Isolated β-bridge	trans	-86.6	119.3	177.9	-70.5	166.6	0	0	0	109.5	Y484 P549 I584 P585 Q586 C587	I477-Y484 HydrophobicContact CG1-CD2 4Å; I477-Y484 HydrophobicContact CG1-CG 4.33Å; I477-P549 HydrophobicContact CD1-CG 3.74Å; I477-P549 HydrophobicContact CG1-CG 3.93Å; I477-I584 HydrophobicContact CD1-CB 3.62Å; I477-I584 HydrophobicContact CD1-CD1 3.86Å; I477-I584 HydrophobicContact CD1-CG1 4.33Å; I477-I584 HydrophobicContact CD1-CG2 3.64Å; I477-I584 HydrophobicContact CG1-CB 4.19Å; I477-I584 HydrophobicContact CG1-CG2 3.6Å; I477-P585 PolarHBondContact N-O 3.22Å; I477-Q586 WeakPolarHBondContact O-CA 3.47Å; I477-C587 PolarHBondContact O-N 2.87Å
478	N	62.8	Low	55.9	Low	118 Å²	118	82.5 Å²	82.5	63%	0.631	44%	0.438	S	S	*	.			trans	-113.5	140.8	159.4	-168.9	3.6	0	0	0	109.6	K480 G481	N478-K480 PolarHBondContact O-N 2.8Å; N478-G481 PolarHBondContact O-N 3.48Å
479	G	64.4	Low	57.3	Low	64 Å²	64	81.4 Å²	81.4	66%	0.66	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	-133.3	-176.1	0	0	0	0	0	112.8	G481	G479-G481 PolarHBondContact O-N 3.43Å
480	K	54.9	Low	58.7	Low	131 Å²	131	78.1 Å²	78.1	57%	0.57	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-3.9	175.3	-65.5	-172.5	-178.4	175.9	0	113.6	N478 N541 G544	N478-K480 PolarHBondContact O-N 2.8Å; K480-N541 PolarHBondContact O-ND2 3.49Å; K480-G544 VanDerWaalsContact CD-O 3.26Å; K480-G544 WeakPolarHBondContact CD-O 3.32Å
481	G	58.9	Low	60	Low	3 Å²	3	77.1 Å²	77.1	3%	0.031	41%	0.41	C	S	.	.			trans	75.1	27	-176.3	0	0	0	0	0	113.8	N478 G479 N483 Y484	N478-G481 PolarHBondContact O-N 3.48Å; G479-G481 PolarHBondContact O-N 3.43Å; G481-N483 PolarHBondContact O-N 2.96Å; G481-Y484 WeakPolarHBondContact O-CB 3.38Å; G481-Y484 PolarHBondContact O-N 3.47Å
482	E	53.6	Low	61.1	Low	108 Å²	108	72.6 Å²	72.6	51%	0.505	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.9	-35.6	177.7	-82.2	-179.8	-170.5	0	0	113.9	N541 G544	E482-N541 CarbonylContact C-O 3.55Å; E482-N541 WeakPolarHBondContact CA-O 3.4Å; E482-G544 VanDerWaalsContact CG-N 3.33Å
483	N	51.8	Low	62.3	Low	94 Å²	94	63.6 Å²	63.6	50%	0.503	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	11.1	-176.2	-67	-46.4	0	0	0	113.9	G481 R485	G481-N483 PolarHBondContact O-N 2.96Å; N483-R485 PolarHBondContact O-N 3.38Å
484	Y	62.2	Low	63.2	Low	12 Å²	12	63.8 Å²	63.8	5%	0.047	35%	0.348	C	S	.	.			trans	-64.2	131.1	178.3	180	-91.9	0	0	0	111	I477 G481 G486 C539 P549 I584	I477-Y484 HydrophobicContact CG1-CD2 4Å; I477-Y484 HydrophobicContact CG1-CG 4.33Å; G481-Y484 WeakPolarHBondContact O-CB 3.38Å; G481-Y484 PolarHBondContact O-N 3.47Å; Y484-G486 VanDerWaalsContact CZ-CA 3.49Å; Y484-G486 WeakPolarHBondContact OH-CA 3.48Å; Y484-C539 HydrophobicContact CD1-CB 4.16Å; Y484-C539 WeakPolarHBondContact CD1-O 3.48Å; Y484-C539 HydrophobicContact CE1-CB 3.72Å; Y484-P549 HydrophobicContact CD1-CB 3.93Å; Y484-P549 HydrophobicContact CD1-CG 3.99Å; Y484-P549 HydrophobicContact CG-CB 4.46Å; Y484-P549 HydrophobicContact CG-CG 4.02Å; Y484-I584 HydrophobicContact CD1-CD1 4.23Å; Y484-I584 HydrophobicContact CD2-CG2 3.89Å; Y484-I584 HydrophobicContact CE1-CD1 3.68Å; Y484-I584 HydrophobicContact CE1-CG1 4.4Å; Y484-I584 HydrophobicContact CE1-CG2 4.45Å; Y484-I584 HydrophobicContact CE2-CB 4.4Å; Y484-I584 HydrophobicContact CE2-CD1 4.3Å; Y484-I584 HydrophobicContact CE2-CG1 4.46Å; Y484-I584 HydrophobicContact CE2-CG2 3.14Å; Y484-I584 VanDerWaalsContact CZ-CG2 3.46Å
485	R	59	Low	63.9	Low	90 Å²	90	62.1 Å²	62.1	34%	0.34	34%	0.339	S	S	.	.			trans	-138.2	27.1	-177.3	-62.8	-179.1	-176.4	-166.6	2.5	113.8	V474 N483	V474-R485 HydrophobicContact CG1-CB 4.01Å; V474-R485 PolarHBondContact O-N 3.22Å; N483-R485 PolarHBondContact O-N 3.38Å
486	G	65.1	Low	63.5	Low	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.32	C	S	.	.			trans	-84.6	159.4	-178.6	0	0	0	0	0	115	D475 Y484 C539	D475-G486 VanDerWaalsContact OD1-CA 3.32Å; D475-G486 WeakPolarHBondContact OD1-CA 3.42Å; Y484-G486 VanDerWaalsContact CZ-CA 3.49Å; Y484-G486 WeakPolarHBondContact OH-CA 3.48Å; G486-C539 PolarHBondContact O-N 3.18Å
487	L	66.4	Low	62.9	Low	105 Å²	105	60.8 Å²	60.8	55%	0.55	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-54.4	137.5	171.4	-79.1	151.6	0	0	0	110.9	T489 S536	L487-T489 PolarHBondContact O-N 3.09Å; L487-S536 WeakPolarHBondContact CD2-OG 3.41Å
488	A	66.2	Low	62.5	Low	16 Å²	16	63.6 Å²	63.6	13%	0.132	34%	0.344	C	S	.	.			trans	-76.6	106.7	170	0	0	0	0	0	108.4	M490 C493 A537 C539 C551	A488-M490 PolarHBondContact O-N 3.23Å; A488-C493 HydrophobicContact CB-CB 3.57Å; A488-A537 HydrophobicContact CB-CB 3.83Å; A488-A537 WeakPolarHBondContact CB-O 3.16Å; A488-A537 PolarHBondContact N-O 3.01Å; A488-C539 WeakPolarHBondContact CB-SG 3.24Å; A488-C551 HydrophobicContact CB-CB 4.5Å
489	T	64	Low	61.9	Low	102 Å²	102	59.6 Å²	59.6	63%	0.626	32%	0.324	S	S	*	.			trans	-72.1	-4.5	173.3	47.6	0	0	0	0	112.7	L487	L487-T489 PolarHBondContact O-N 3.09Å
490	M	68.3	Low	60.9	Low	10 Å²	10	63.4 Å²	63.4	5%	0.049	33%	0.328	C	S	.	.			trans	-83.5	128.5	-174.8	-56.8	-61.2	95.4	0	0	111.3	A488 E492 C493 Y582 Q583	A488-M490 PolarHBondContact O-N 3.23Å; M490-E492 PolarHBondContact O-N 2.88Å; M490-C493 HydrophobicContact CB-CB 4.49Å; M490-C493 WeakPolarHBondContact O-CB 3.14Å; M490-C493 PolarHBondContact O-N 3.38Å; M490-C493 VanDerWaalsContact O-N 3.11Å; M490-Y582 WeakPolarHBondContact CE-O 3.49Å; M490-Y582 HydrophobicContact CG-CE1 4.38Å; M490-Y582 HydrophobicContact CG-CE2 4.45Å; M490-Y582 HydrophobicContact SD-CD1 4.17Å; M490-Y582 HydrophobicContact SD-CD2 3.31Å; M490-Y582 WeakPolarHBondContact SD-CD2 3.26Å; M490-Y582 HydrophobicContact SD-CE1 4.03Å; M490-Y582 HydrophobicContact SD-CE2 3.15Å; M490-Y582 WeakPolarHBondContact SD-CE2 3.33Å; M490-Y582 HydrophobicContact SD-CG 3.83Å; M490-Y582 VanDerWaalsContact SD-CZ 3.52Å; M490-Q583 HydrophobicContact CE-CB 3.86Å; M490-Q583 HydrophobicContact CE-CG 4.33Å
491	P	69.1	Low	60.1	Low	112 Å²	112	63 Å²	63	73%	0.727	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.9	-176	24.7	-32.7	0	0	0	113.7	C493	P491-C493 VanDerWaalsContact C-N 3.34Å
492	E	72	Confident	59	Low	89 Å²	89	66.9 Å²	66.9	42%	0.416	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-28.3	177.2	-53.5	-178.9	-131.1	0	0	112.7	M490 S553 Y582	M490-E492 PolarHBondContact O-N 2.88Å; E492-S553 WeakPolarHBondContact O-CA 3.38Å; E492-S553 WeakPolarHBondContact O-CB 3.27Å; E492-Y582 PolarHBondContact OE1-OH 3.07Å
493	C	75.4	Confident	57.9	Low	9 Å²	9	67.9 Å²	67.9	6%	0.061	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	133.3	-175.9	-62.6	0	0	0	0	110.1	A488 M490 P491 A537 C551 L552	A488-C493 HydrophobicContact CB-CB 3.57Å; M490-C493 HydrophobicContact CB-CB 4.49Å; M490-C493 WeakPolarHBondContact O-CB 3.14Å; M490-C493 PolarHBondContact O-N 3.38Å; M490-C493 VanDerWaalsContact O-N 3.11Å; P491-C493 VanDerWaalsContact C-N 3.34Å; C493-A537 HydrophobicContact CB-CB 3.65Å; C493-A537 WeakPolarHBondContact O-CB 3.43Å; C493-C551 VanDerWaalsContact CA-SG 3.6Å; C493-C551 HydrophobicContact CB-CB 3.62Å; C493-C551 WeakPolarHBondContact CB-SG 3.41Å; C493-C551 WeakPolarHBondContact SG-CB 3.43Å; C493-C551 CovalentContact SG-SG 2.01Å; C493-C551 PolarHBondContact SG-SG 2.9Å; C493-L552 CarbonylContact C-O 3.56Å; C493-L552 WeakPolarHBondContact CA-O 3.44Å
494	K	70.7	Confident	57.1	Low	77 Å²	77	70.8 Å²	70.8	34%	0.335	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	152.6	177.5	-62.3	-57.2	-177.2	-166.3	0	111.4	L552 W576	K494-L552 PolarHBondContact N-O 3.49Å; K494-W576 HydrophobicContact CB-CH2 4.33Å; K494-W576 HydrophobicContact CB-CZ3 4.06Å; K494-W576 HydrophobicContact CG-CZ3 4.5Å
495	P	67	Low	55.7	Low	24 Å²	24	76.1 Å²	76.1	16%	0.156	41%	0.41	C	S	.	.			trans	-59	145.2	172.4	-21	32.1	0	0	0	112	T497 N498 S534 S535 S536	P495-T497 PolarHBondContact O-N 3.08Å; P495-N498 WeakPolarHBondContact O-CB 3.34Å; P495-N498 PolarHBondContact O-N 3.36Å; P495-S534 WeakPolarHBondContact CB-O 3.42Å; P495-S535 WeakPolarHBondContact CG-O 3.37Å; P495-S536 WeakPolarHBondContact CA-O 3.49Å
496	W	53	Low	54.4	Low	45 Å²	45	77.8 Å²	77.8	17%	0.17	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-25.8	178.4	-90.8	90.6	0	0	0	113.1	N498 V499 L500 F517 L520 L552	W496-N498 PolarHBondContact O-N 3.18Å; W496-N498 VanDerWaalsContact O-N 3.14Å; W496-V499 PolarHBondContact O-N 3.34Å; W496-L500 PolarHBondContact O-N 3.19Å; W496-F517 HydrophobicContact CH2-CE1 4.32Å; W496-F517 AromaticContact CH2-CE2 3.7Å; W496-F517 HydrophobicContact CH2-CE2 3.7Å; W496-F517 AromaticContact CH2-CZ 3.53Å; W496-F517 HydrophobicContact CH2-CZ 3.53Å; W496-F517 HydrophobicContact CZ3-CE1 4.29Å; W496-F517 HydrophobicContact CZ3-CE2 4.35Å; W496-F517 AromaticContact CZ3-CZ 3.71Å; W496-F517 HydrophobicContact CZ3-CZ 3.71Å; W496-L520 HydrophobicContact CH2-CD1 4Å; W496-L520 HydrophobicContact CZ2-CD1 4.24Å; W496-L552 HydrophobicContact CD2-CD1 3.48Å; W496-L552 VanDerWaalsContact CD2-CD1 3.48Å; W496-L552 VanDerWaalsContact CE2-CD1 3.43Å; W496-L552 HydrophobicContact CE3-CD1 3.56Å; W496-L552 HydrophobicContact CG-CD1 4.21Å; W496-L552 HydrophobicContact CH2-CD1 3.62Å; W496-L552 HydrophobicContact CH2-CG 4.45Å; W496-L552 HydrophobicContact CZ2-CD1 3.51Å; W496-L552 HydrophobicContact CZ2-CG 4.18Å; W496-L552 HydrophobicContact CZ3-CD1 3.64Å
497	T	52.9	Low	52.9	Low	50 Å²	50	86.8 Å²	86.8	31%	0.307	47%	0.466	S	S	.	.	H	α-helix	trans	-57.5	-26.5	172.6	49.2	0	0	0	0	112.6	P495 V499 L500 S534	P495-T497 PolarHBondContact O-N 3.08Å; T497-V499 PolarHBondContact O-N 3.28Å; T497-L500 PolarHBondContact O-N 3.07Å; T497-S534 WeakPolarHBondContact CG2-O 3.35Å; T497-S534 PolarHBondContact OG1-O 2.87Å
498	N	55.7	Low	51.2	Low	76 Å²	76	86.5 Å²	86.5	41%	0.406	47%	0.465	S	S	.	.	H	α-helix	trans	-71.6	-19.8	177.8	-65.3	12.9	0	0	0	112.7	P495 W496 W576	P495-N498 WeakPolarHBondContact O-CB 3.34Å; P495-N498 PolarHBondContact O-N 3.36Å; W496-N498 PolarHBondContact O-N 3.18Å; W496-N498 VanDerWaalsContact O-N 3.14Å; N498-W576 HydrophobicContact CB-CH2 3.63Å; N498-W576 HydrophobicContact CB-CZ2 4.22Å
499	V	49.2	Very low	49.4	Very low	35 Å²	35	89.9 Å²	89.9	21%	0.212	48%	0.481	C	S	.	.	H	α-helix	trans	-83.2	-33.3	172.3	177.1	0	0	0	0	111.4	W496 T497 V501 L502 L552 W576	W496-V499 PolarHBondContact O-N 3.34Å; T497-V499 PolarHBondContact O-N 3.28Å; V499-V501 PolarHBondContact O-N 2.73Å; V499-L502 PolarHBondContact O-N 3.49Å; V499-L552 HydrophobicContact CG2-CD1 3.6Å; V499-W576 HydrophobicContact CG2-CD2 4Å; V499-W576 HydrophobicContact CG2-CE3 3.85Å; V499-W576 HydrophobicContact CG2-CH2 3.99Å; V499-W576 HydrophobicContact CG2-CZ2 4.14Å; V499-W576 HydrophobicContact CG2-CZ3 3.84Å
500	L	43.6	Very low	47.7	Very low	144 Å²	144	92 Å²	92	75%	0.754	48%	0.484	S	S	*	.	H	α-helix	trans	-70.6	-9.1	-178.5	-85.6	154.8	0	0	0	114.4	W496 T497 L502	W496-L500 PolarHBondContact O-N 3.19Å; T497-L500 PolarHBondContact O-N 3.07Å; L500-L502 VanDerWaalsContact C-N 3.29Å
501	V	37.8	Very low	46	Very low	122 Å²	122	97 Å²	97	74%	0.739	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	3.5	175	-175.3	0	0	0	0	112.3	V499 D503	V499-V501 PolarHBondContact O-N 2.73Å; V501-D503 PolarHBondContact O-N 3.19Å
502	L	35.6	Very low	44.1	Very low	84 Å²	84	95.4 Å²	95.4	44%	0.44	52%	0.521	S	S	.	.			trans	-84.3	84	174.1	-81.1	143.1	0	0	0	111.5	V499 L500	V499-L502 PolarHBondContact O-N 3.49Å; L500-L502 VanDerWaalsContact C-N 3.29Å
503	D	31.7	Very low	42.2	Very low	129 Å²	129	94.3 Å²	94.3	69%	0.69	52%	0.517	S	S	*	.			trans	-45.8	128.8	167.7	-150.1	6	0	0	0	112.8	V501 N505	V501-D503 PolarHBondContact O-N 3.19Å; D503-N505 PolarHBondContact O-N 3.02Å
504	D	34.2	Very low	40.1	Very low	155 Å²	155	99.1 Å²	99.1	83%	0.829	53%	0.534	S	S	*	.	S	Bend	trans	30	4.7	165.4	-74.6	-15.4	0	0	0	122.9
505	N	32.5	Very low	38.3	Very low	124 Å²	124	100.4 Å²	100.4	66%	0.663	55%	0.55	S	S	*	.			trans	-112.3	35.2	-173	-74.6	-55.4	0	0	0	113.9	D503 Q507	D503-N505 PolarHBondContact O-N 3.02Å; N505-Q507 PolarHBondContact O-N 3.28Å
506	I	33.4	Very low	36.6	Very low	125 Å²	125	99.9 Å²	99.9	64%	0.641	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-64.2	-11.7	-177.7	-65.3	176.1	0	0	0	113.4	N508	I506-N508 PolarHBondContact O-N 2.85Å
507	Q	32.4	Very low	35.8	Very low	190 Å²	190	100.4 Å²	100.4	89%	0.888	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-63.3	-13.9	179.3	-69.1	-169.3	-7.2	0	0	115.1	N505	N505-Q507 PolarHBondContact O-N 3.28Å
508	N	30.1	Very low	35.2	Very low	99 Å²	99	107.5 Å²	107.5	53%	0.529	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-110.8	10.6	-171.1	-73.4	-30.8	0	0	0	116.2	I506 Q510 L573	I506-N508 PolarHBondContact O-N 2.85Å; N508-Q510 PolarHBondContact O-N 2.76Å; N508-L573 HydrophobicContact CB-CD1 4.03Å; N508-L573 HydrophobicContact CB-CD2 3.58Å; N508-L573 HydrophobicContact CB-CG 4.47Å
509	L	29.5	Very low	34.2	Very low	87 Å²	87	106.8 Å²	106.8	46%	0.455	58%	0.577	S	S	.	*	S	Bend	trans	-77.8	113.2	169.2	-87.7	103.1	0	0	0	110.8	I513	L509-I513 HydrophobicContact CD2-CD1 3.71Å
510	Q	27.9	Very low	33.5	Very low	147 Å²	147	107.2 Å²	107.2	69%	0.687	58%	0.577	S	S	*	*			trans	-59.1	148.3	178	-85.7	-162.4	-38.9	0	0	113	N508 G512	N508-Q510 PolarHBondContact O-N 2.76Å; Q510-G512 PolarHBondContact O-N 2.95Å
511	P	32.7	Very low	33.2	Very low	113 Å²	113	103.9 Å²	103.9	73%	0.734	56%	0.56	S	S	*	*	S	Bend	trans	-84.2	33.9	-156.7	-4.3	24.9	0	0	0	114.6	I513	P511-I513 PolarHBondContact O-N 3.34Å
512	G	29.8	Very low	33.1	Very low	80 Å²	80	102.3 Å²	102.3	83%	0.825	56%	0.555	S	S	*	*			trans	-79	1	175.4	0	0	0	0	0	114	Q510	Q510-G512 PolarHBondContact O-N 2.95Å
513	I	32	Very low	33.2	Very low	66 Å²	66	107.2 Å²	107.2	34%	0.338	57%	0.573	S	S	.	*	S	Bend	trans	-102.1	121.8	-163.8	-53.7	172.8	0	0	0	109.3	L509 P511 F517	L509-I513 HydrophobicContact CD2-CD1 3.71Å; P511-I513 PolarHBondContact O-N 3.34Å; I513-F517 HydrophobicContact CG2-CB 3.76Å; I513-F517 HydrophobicContact CG2-CD2 3.85Å; I513-F517 HydrophobicContact CG2-CG 3.87Å
514	W	30.1	Very low	33.4	Very low	110 Å²	110	104.9 Å²	104.9	42%	0.417	56%	0.563	S	S	.	*			trans	-50.7	137.9	-178.7	-159.7	67	0	0	0	112.2	G516 F517 L545 A546	W514-G516 PolarHBondContact O-N 2.79Å; W514-F517 PolarHBondContact O-N 3.15Å; W514-L545 VanDerWaalsContact CH2-C 3.41Å; W514-L545 HydrophobicContact CH2-CB 3.1Å; W514-L545 HydrophobicContact CH2-CD1 4.33Å; W514-L545 HydrophobicContact CH2-CG 4.32Å; W514-L545 HydrophobicContact CZ2-CB 3.71Å; W514-L545 WeakPolarHBondContact CZ2-O 3.29Å; W514-L545 HydrophobicContact CZ3-CB 3.97Å; W514-A546 HydrophobicContact CH2-CB 4.41Å
515	P	33.7	Very low	33.5	Very low	103 Å²	103	101.3 Å²	101.3	67%	0.669	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-59.6	-19.4	-174.6	19.5	-30.1	0	0	0	113.9	F517 Y518	P515-F517 PolarHBondContact O-N 3.17Å; P515-F517 VanDerWaalsContact O-N 3.16Å; P515-Y518 PolarHBondContact O-N 3.35Å
516	G	31	Very low	33.6	Very low	14 Å²	14	97.8 Å²	97.8	14%	0.144	52%	0.524	C	S	.	.	G	3₁₀ helix	trans	-60.1	-18.5	171.8	0	0	0	0	0	114.3	W514 Y518 S519	W514-G516 PolarHBondContact O-N 2.79Å; G516-Y518 VanDerWaalsContact C-N 3.28Å; G516-Y518 PolarHBondContact O-N 3.4Å; G516-S519 WeakPolarHBondContact O-CB 3.37Å; G516-S519 PolarHBondContact O-N 2.95Å; G516-S519 PolarHBondContact O-OG 2.8Å
517	F	35.7	Very low	33.7	Very low	56 Å²	56	103.9 Å²	103.9	25%	0.246	54%	0.539	C	S	.	.	G	3₁₀ helix	trans	-62.6	-35.2	176.6	-149.5	-88.8	0	0	0	112.3	W496 I513 W514 P515 S519 L520 L552 L578	W496-F517 HydrophobicContact CH2-CE1 4.32Å; W496-F517 AromaticContact CH2-CE2 3.7Å; W496-F517 HydrophobicContact CH2-CE2 3.7Å; W496-F517 AromaticContact CH2-CZ 3.53Å; W496-F517 HydrophobicContact CH2-CZ 3.53Å; W496-F517 HydrophobicContact CZ3-CE1 4.29Å; W496-F517 HydrophobicContact CZ3-CE2 4.35Å; W496-F517 AromaticContact CZ3-CZ 3.71Å; W496-F517 HydrophobicContact CZ3-CZ 3.71Å; I513-F517 HydrophobicContact CG2-CB 3.76Å; I513-F517 HydrophobicContact CG2-CD2 3.85Å; I513-F517 HydrophobicContact CG2-CG 3.87Å; W514-F517 PolarHBondContact O-N 3.15Å; P515-F517 PolarHBondContact O-N 3.17Å; P515-F517 VanDerWaalsContact O-N 3.16Å; F517-S519 PolarHBondContact O-N 2.81Å; F517-L520 HydrophobicContact CD2-CD1 4.34Å; F517-L520 VanDerWaalsContact O-CB 3.31Å; F517-L520 WeakPolarHBondContact O-CB 3.35Å; F517-L520 PolarHBondContact O-N 3.14Å; F517-L552 HydrophobicContact CE2-CD2 4.1Å; F517-L552 HydrophobicContact CZ-CD2 4.32Å; F517-L578 HydrophobicContact CE2-CD2 4.31Å
518	Y	40.7	Very low	34	Very low	199 Å²	199	99.5 Å²	99.5	78%	0.78	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-72.3	-15.4	175.7	-66.3	-76.2	0	0	0	113.4	P515 G516 L520	P515-Y518 PolarHBondContact O-N 3.35Å; G516-Y518 VanDerWaalsContact C-N 3.28Å; G516-Y518 PolarHBondContact O-N 3.4Å; Y518-L520 VanDerWaalsContact C-N 3.27Å
519	S	35.2	Very low	34.5	Very low	61 Å²	61	96.8 Å²	96.8	43%	0.427	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-80	-11	169.5	76	0	0	0	0	112.9	G516 F517 N521 T524	G516-S519 WeakPolarHBondContact O-CB 3.37Å; G516-S519 PolarHBondContact O-N 2.95Å; G516-S519 PolarHBondContact O-OG 2.8Å; F517-S519 PolarHBondContact O-N 2.81Å; S519-N521 PolarHBondContact O-N 3.05Å; S519-T524 WeakPolarHBondContact O-CG2 3.44Å; S519-T524 PolarHBondContact O-OG1 3.41Å; S519-T524 VanDerWaalsContact O-OG1 3.04Å
520	L	34	Very low	35.2	Very low	43 Å²	43	94.8 Å²	94.8	23%	0.225	52%	0.516	C	S	.	.			trans	-94.9	76	176.8	-61	172	0	0	0	109.8	W496 F517 Y518 P542	W496-L520 HydrophobicContact CH2-CD1 4Å; W496-L520 HydrophobicContact CZ2-CD1 4.24Å; F517-L520 HydrophobicContact CD2-CD1 4.34Å; F517-L520 VanDerWaalsContact O-CB 3.31Å; F517-L520 WeakPolarHBondContact O-CB 3.35Å; F517-L520 PolarHBondContact O-N 3.14Å; Y518-L520 VanDerWaalsContact C-N 3.27Å; L520-P542 HydrophobicContact CD2-CB 4.41Å; L520-P542 HydrophobicContact CD2-CG 3.59Å
521	N	37.8	Very low	36.1	Very low	75 Å²	75	95 Å²	95	40%	0.401	52%	0.521	S	S	.	.			trans	-103	165.9	169.4	60.6	30.4	0	0	0	110.2	S519 F523 T524	S519-N521 PolarHBondContact O-N 3.05Å; N521-F523 PolarHBondContact O-N 3.37Å; N521-F523 VanDerWaalsContact O-N 3.08Å; N521-F523 PolarHBondContact OD1-N 3.46Å; N521-T524 PolarHBondContact N-OG1 3.25Å; N521-T524 PolarHBondContact O-N 2.85Å; N521-T524 PolarHBondContact O-OG1 3.1Å; N521-T524 PolarHBondContact OD1-N 3.16Å; N521-T524 PolarHBondContact OD1-OG1 3.27Å
522	S	35.7	Very low	36.8	Very low	89 Å²	89	96.9 Å²	96.9	62%	0.622	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-58.9	-23.3	179.6	53.4	0	0	0	0	113.2	F525	S522-F525 WeakPolarHBondContact O-CB 3.4Å; S522-F525 PolarHBondContact O-N 3.09Å
523	F	36.9	Very low	37.6	Very low	186 Å²	186	93.8 Å²	93.8	82%	0.816	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-77.3	-20.1	177.8	-64	-79	0	0	0	113.8	N521 F525	N521-F523 PolarHBondContact O-N 3.37Å; N521-F523 VanDerWaalsContact O-N 3.08Å; N521-F523 PolarHBondContact OD1-N 3.46Å; F523-F525 PolarHBondContact O-N 2.92Å
524	T	37	Very low	38.4	Very low	81 Å²	81	93 Å²	93	50%	0.497	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-80.1	-0.9	171.2	48.6	0	0	0	0	113.1	S519 N521 P526	S519-T524 WeakPolarHBondContact O-CG2 3.44Å; S519-T524 PolarHBondContact O-OG1 3.41Å; S519-T524 VanDerWaalsContact O-OG1 3.04Å; N521-T524 PolarHBondContact N-OG1 3.25Å; N521-T524 PolarHBondContact O-N 2.85Å; N521-T524 PolarHBondContact O-OG1 3.1Å; N521-T524 PolarHBondContact OD1-N 3.16Å; N521-T524 PolarHBondContact OD1-OG1 3.27Å; T524-P526 WeakPolarHBondContact O-CD 3.33Å
525	F	34.7	Very low	39.5	Very low	79 Å²	79	91.6 Å²	91.6	35%	0.346	49%	0.493	S	S	.	.	S	Bend	trans	-86.1	119.6	168.8	-74.8	-99.6	0	0	0	111.5	S522 F523 R527	S522-F525 WeakPolarHBondContact O-CB 3.4Å; S522-F525 PolarHBondContact O-N 3.09Å; F523-F525 PolarHBondContact O-N 2.92Å; F525-R527 PolarHBondContact O-N 3.32Å
526	P	35.4	Very low	40.6	Very low	50 Å²	50	87.8 Å²	87.8	33%	0.325	47%	0.469	S	S	.	.			trans	-69.3	128.8	165.6	24.1	-24.8	0	0	0	109	T524 S528 L529	T524-P526 WeakPolarHBondContact O-CD 3.33Å; P526-S528 PolarHBondContact O-N 3.14Å; P526-L529 HydrophobicContact CG-CD1 4.02Å; P526-L529 PolarHBondContact O-N 3.45Å; P526-L529 VanDerWaalsContact O-N 3.15Å
527	R	36.3	Very low	42.2	Very low	253 Å²	253	87.7 Å²	87.7	96%	0.955	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-14.6	178.9	-76.5	-177.5	176.9	177.7	-1.3	114.8	F525 L529	F525-R527 PolarHBondContact O-N 3.32Å; R527-L529 VanDerWaalsContact C-N 3.3Å; R527-L529 PolarHBondContact O-N 3.45Å
528	S	38.6	Very low	43.8	Very low	98 Å²	98	85.5 Å²	85.5	69%	0.685	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-16.9	179.9	67.5	0	0	0	0	114.2	P526 G530	P526-S528 PolarHBondContact O-N 3.14Å; S528-G530 VanDerWaalsContact C-N 3.34Å; S528-G530 PolarHBondContact O-N 3.13Å; S528-G530 VanDerWaalsContact O-N 3.09Å
529	L	39.8	Very low	45.3	Very low	43 Å²	43	76.1 Å²	76.1	23%	0.225	42%	0.422	C	S	.	.	S	Bend	trans	-76.1	95.8	164.3	-80.7	116.1	0	0	0	107	P526 R527 A533	P526-L529 HydrophobicContact CG-CD1 4.02Å; P526-L529 PolarHBondContact O-N 3.45Å; P526-L529 VanDerWaalsContact O-N 3.15Å; R527-L529 VanDerWaalsContact C-N 3.3Å; R527-L529 PolarHBondContact O-N 3.45Å; L529-A533 HydrophobicContact CB-CB 3.81Å; L529-A533 HydrophobicContact CD2-CB 3.63Å; L529-A533 HydrophobicContact CG-CB 4.35Å
530	G	44.2	Very low	46.8	Very low	45 Å²	45	75.6 Å²	75.6	46%	0.464	41%	0.41	S	S	.	.			trans	-54.1	175.9	176.2	0	0	0	0	0	112.7	S528 E532 A533	S528-G530 VanDerWaalsContact C-N 3.34Å; S528-G530 PolarHBondContact O-N 3.13Å; S528-G530 VanDerWaalsContact O-N 3.09Å; G530-E532 PolarHBondContact O-N 2.9Å; G530-A533 PolarHBondContact O-N 3.18Å
531	L	46.7	Very low	48.1	Very low	151 Å²	151	73.7 Å²	73.7	79%	0.791	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.6	-29.3	-178.4	-83.9	138	0	0	0	114.8	A533 S534 S535	L531-A533 VanDerWaalsContact C-N 3.3Å; L531-A533 PolarHBondContact O-N 3.4Å; L531-S534 PolarHBondContact O-N 2.88Å; L531-S534 PolarHBondContact O-OG 3.31Å; L531-S535 PolarHBondContact O-N 3.36Å; L531-S535 PolarHBondContact O-OG 2.98Å
532	E	46.8	Very low	48.6	Very low	153 Å²	153	71.8 Å²	71.8	72%	0.715	39%	0.392	S	S	*	.	H	α-helix	trans	-50.9	-40.4	174.7	-71.3	178.1	158.3	0	0	114.2	G530 S534 S535 S536	G530-E532 PolarHBondContact O-N 2.9Å; E532-S534 PolarHBondContact O-N 3.44Å; E532-S535 PolarHBondContact O-N 3.35Å; E532-S535 PolarHBondContact O-OG 2.79Å; E532-S536 VanDerWaalsContact O-CB 3.29Å; E532-S536 WeakPolarHBondContact O-CB 3.42Å; E532-S536 PolarHBondContact O-N 3.26Å; E532-S536 PolarHBondContact O-OG 3.48Å
533	A	46.6	Very low	49.2	Very low	15 Å²	15	72 Å²	72	12%	0.124	39%	0.394	C	S	.	.	H	α-helix	trans	-71.3	-20.8	-178.4	0	0	0	0	0	113.6	L529 G530 L531 V538	L529-A533 HydrophobicContact CB-CB 3.81Å; L529-A533 HydrophobicContact CD2-CB 3.63Å; L529-A533 HydrophobicContact CG-CB 4.35Å; G530-A533 PolarHBondContact O-N 3.18Å; L531-A533 VanDerWaalsContact C-N 3.3Å; L531-A533 PolarHBondContact O-N 3.4Å; A533-V538 HydrophobicContact CB-CG2 4.42Å
534	S	49.1	Very low	49.8	Very low	48 Å²	48	63.3 Å²	63.3	34%	0.336	36%	0.357	S	S	.	.	H	α-helix	trans	-83.2	-42.5	175.4	70.9	0	0	0	0	111.1	P495 T497 L531 E532	P495-S534 WeakPolarHBondContact CB-O 3.42Å; T497-S534 WeakPolarHBondContact CG2-O 3.35Å; T497-S534 PolarHBondContact OG1-O 2.87Å; L531-S534 PolarHBondContact O-N 2.88Å; L531-S534 PolarHBondContact O-OG 3.31Å; E532-S534 PolarHBondContact O-N 3.44Å
535	S	53	Low	50	Low	81 Å²	81	64.8 Å²	64.8	57%	0.566	36%	0.361	S	S	*	.	H	α-helix	trans	-86.7	-14	-173.9	60.2	0	0	0	0	114.5	P495 L531 E532	P495-S535 WeakPolarHBondContact CG-O 3.37Å; L531-S535 PolarHBondContact O-N 3.36Å; L531-S535 PolarHBondContact O-OG 2.98Å; E532-S535 PolarHBondContact O-N 3.35Å; E532-S535 PolarHBondContact O-OG 2.79Å
536	S	56.4	Low	50.6	Low	23 Å²	23	62 Å²	62	16%	0.161	35%	0.353	C	S	.	.	S	Bend	trans	-114.5	154.3	179.7	70.4	0	0	0	0	112.1	L487 P495 E532	L487-S536 WeakPolarHBondContact CD2-OG 3.41Å; P495-S536 WeakPolarHBondContact CA-O 3.49Å; E532-S536 VanDerWaalsContact O-CB 3.29Å; E532-S536 WeakPolarHBondContact O-CB 3.42Å; E532-S536 PolarHBondContact O-N 3.26Å; E532-S536 PolarHBondContact O-OG 3.48Å
537	A	66.5	Low	51.5	Low	12 Å²	12	64.9 Å²	64.9	10%	0.099	37%	0.374	C	S	.	.			trans	-71.6	130.5	170	0	0	0	0	0	109	A488 C493	A488-A537 HydrophobicContact CB-CB 3.83Å; A488-A537 WeakPolarHBondContact CB-O 3.16Å; A488-A537 PolarHBondContact N-O 3.01Å; C493-A537 HydrophobicContact CB-CB 3.65Å; C493-A537 WeakPolarHBondContact O-CB 3.43Å
538	V	68.1	Low	52.9	Low	11 Å²	11	59.1 Å²	59.1	7%	0.067	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-127.3	136.9	-176.2	-176.9	0	0	0	0	109.4	A533 R540	A533-V538 HydrophobicContact CB-CG2 4.42Å; V538-R540 HydrophobicContact CG1-CG 4.39Å
539	C	72.2	Confident	54.5	Low	1 Å²	1	54.5 Å²	54.5	1%	0.007	32%	0.319	C	S	.	.			trans	-92	140.6	171.9	-55.7	0	0	0	0	111	Y484 G486 A488 P549 F550 C581 I584	Y484-C539 HydrophobicContact CD1-CB 4.16Å; Y484-C539 WeakPolarHBondContact CD1-O 3.48Å; Y484-C539 HydrophobicContact CE1-CB 3.72Å; G486-C539 PolarHBondContact O-N 3.18Å; A488-C539 WeakPolarHBondContact CB-SG 3.24Å; C539-P549 HydrophobicContact CB-CB 3.95Å; C539-F550 CarbonylContact C-O 3.54Å; C539-F550 VanDerWaalsContact CA-O 3.32Å; C539-F550 WeakPolarHBondContact CA-O 3.32Å; C539-C581 HydrophobicContact CB-CB 3.59Å; C539-C581 WeakPolarHBondContact CB-SG 3.37Å; C539-C581 WeakPolarHBondContact SG-CB 3.44Å; C539-C581 CovalentContact SG-SG 2Å; C539-C581 PolarHBondContact SG-SG 3.1Å; C539-I584 HydrophobicContact CB-CD1 4.04Å
540	R	66.3	Low	56	Low	51 Å²	51	53.6 Å²	53.6	19%	0.192	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-141.8	153.7	-177.7	-74	-76.1	-176.8	137.2	2.6	112.5	V538 P549 F550	V538-R540 HydrophobicContact CG1-CG 4.39Å; R540-P549 CarbonylContact O-C 3.5Å; R540-P549 VanDerWaalsContact O-CA 3.26Å; R540-P549 WeakPolarHBondContact O-CA 3.37Å; R540-F550 PolarHBondContact N-O 2.91Å; R540-F550 WeakPolarHBondContact O-CD1 3.33Å; R540-F550 PolarHBondContact O-N 2.8Å
541	N	62.2	Low	57.4	Low	2 Å²	2	51.6 Å²	51.6	1%	0.011	29%	0.292	C	S	.	.			trans	-138.7	78.7	164.7	-169.3	3.5	0	0	0	111.8	K480 E482 S543 G544 L545 A546 P549	K480-N541 PolarHBondContact O-ND2 3.49Å; E482-N541 CarbonylContact C-O 3.55Å; E482-N541 WeakPolarHBondContact CA-O 3.4Å; N541-S543 PolarHBondContact O-N 2.89Å; N541-G544 PolarHBondContact O-N 3.24Å; N541-G544 VanDerWaalsContact O-N 3.16Å; N541-L545 PolarHBondContact OD1-N 3.48Å; N541-A546 PolarHBondContact ND2-O 2.9Å; N541-A546 WeakPolarHBondContact OD1-CB 3.49Å; N541-A546 PolarHBondContact OD1-N 3.39Å; N541-P549 HydrophobicContact CB-CG 4.41Å
542	P	48.5	Very low	58.4	Low	36 Å²	36	44.7 Å²	44.7	23%	0.234	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-58.4	127	-177.3	-15	26.3	0	0	0	111.4	L520 G544 L545	L520-P542 HydrophobicContact CD2-CB 4.41Å; L520-P542 HydrophobicContact CD2-CG 3.59Å; P542-G544 PolarHBondContact O-N 2.83Å; P542-L545 PolarHBondContact O-N 2.84Å
543	S	48.6	Very low	59.5	Low	94 Å²	94	37.8 Å²	37.8	66%	0.657	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	56.4	13.2	179.6	-51.8	0	0	0	0	114.7	N541 L545	N541-S543 PolarHBondContact O-N 2.89Å; S543-L545 PolarHBondContact O-N 3.42Å
544	G	48.3	Very low	60.7	Low	3 Å²	3	43.1 Å²	43.1	3%	0.031	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	70	17.5	174.3	0	0	0	0	0	113.1	K480 E482 N541 P542 A546	K480-G544 VanDerWaalsContact CD-O 3.26Å; K480-G544 WeakPolarHBondContact CD-O 3.32Å; E482-G544 VanDerWaalsContact CG-N 3.33Å; N541-G544 PolarHBondContact O-N 3.24Å; N541-G544 VanDerWaalsContact O-N 3.16Å; P542-G544 PolarHBondContact O-N 2.83Å; G544-A546 PolarHBondContact O-N 3.27Å
545	L	42.4	Very low	61.1	Low	111 Å²	111	47.6 Å²	47.6	58%	0.581	26%	0.255	S	S	*	.			trans	-71.4	-23.7	-173.8	-67.8	169.3	0	0	0	111.1	W514 N541 P542 S543	W514-L545 VanDerWaalsContact CH2-C 3.41Å; W514-L545 HydrophobicContact CH2-CB 3.1Å; W514-L545 HydrophobicContact CH2-CD1 4.33Å; W514-L545 HydrophobicContact CH2-CG 4.32Å; W514-L545 HydrophobicContact CZ2-CB 3.71Å; W514-L545 WeakPolarHBondContact CZ2-O 3.29Å; W514-L545 HydrophobicContact CZ3-CB 3.97Å; N541-L545 PolarHBondContact OD1-N 3.48Å; P542-L545 PolarHBondContact O-N 2.84Å; S543-L545 PolarHBondContact O-N 3.42Å
546	A	46.7	Very low	61.1	Low	22 Å²	22	50.1 Å²	50.1	18%	0.182	26%	0.258	C	S	.	.	S	Bend	trans	-94.4	161.6	171.1	0	0	0	0	0	111.6	W514 N541 G544 F550	W514-A546 HydrophobicContact CH2-CB 4.41Å; N541-A546 PolarHBondContact ND2-O 2.9Å; N541-A546 WeakPolarHBondContact OD1-CB 3.49Å; N541-A546 PolarHBondContact OD1-N 3.39Å; G544-A546 PolarHBondContact O-N 3.27Å; A546-F550 HydrophobicContact CB-CD1 3.85Å; A546-F550 HydrophobicContact CB-CE1 3.8Å
547	S	54.2	Low	60.6	Low	109 Å²	109	55.6 Å²	55.6	76%	0.762	29%	0.286	S	S	*	.	S	Bend	trans	-76.1	-26.2	178.9	53.4	0	0	0	0	113.7
548	R	65.6	Low	59.1	Low	133 Å²	133	65.4 Å²	65.4	50%	0.502	32%	0.32	S	S	.	.	S	Bend	trans	-144.5	159.3	174	-70.1	-174.7	102.5	128.7	2.7	110.1
549	P	72	Confident	57.6	Low	0 Å²	0	72.6 Å²	72.6	0%	0	35%	0.353	C	S	.	.			trans	-56.4	144.5	168.3	-22.7	34.2	0	0	0	112	I477 Y484 C539 R540 N541 C581 I584	I477-P549 HydrophobicContact CD1-CG 3.74Å; I477-P549 HydrophobicContact CG1-CG 3.93Å; Y484-P549 HydrophobicContact CD1-CB 3.93Å; Y484-P549 HydrophobicContact CD1-CG 3.99Å; Y484-P549 HydrophobicContact CG-CB 4.46Å; Y484-P549 HydrophobicContact CG-CG 4.02Å; C539-P549 HydrophobicContact CB-CB 3.95Å; R540-P549 CarbonylContact O-C 3.5Å; R540-P549 VanDerWaalsContact O-CA 3.26Å; R540-P549 WeakPolarHBondContact O-CA 3.37Å; N541-P549 HydrophobicContact CB-CG 4.41Å; P549-C581 WeakPolarHBondContact O-CB 3.43Å; P549-C581 PolarHBondContact O-N 3.5Å; P549-I584 HydrophobicContact CB-CD1 4.06Å; P549-I584 HydrophobicContact CG-CD1 4.22Å
550	F	71.1	Confident	55.6	Low	25 Å²	25	79.1 Å²	79.1	11%	0.11	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	158.8	-178.6	57.1	-98.2	0	0	0	111.4	C539 R540 A546 L578 T579 C581	C539-F550 CarbonylContact C-O 3.54Å; C539-F550 VanDerWaalsContact CA-O 3.32Å; C539-F550 WeakPolarHBondContact CA-O 3.32Å; R540-F550 PolarHBondContact N-O 2.91Å; R540-F550 WeakPolarHBondContact O-CD1 3.33Å; R540-F550 PolarHBondContact O-N 2.8Å; A546-F550 HydrophobicContact CB-CD1 3.85Å; A546-F550 HydrophobicContact CB-CE1 3.8Å; F550-L578 HydrophobicContact CD2-CD2 3.43Å; F550-L578 VanDerWaalsContact CD2-CD2 3.43Å; F550-L578 HydrophobicContact CE2-CD2 3.59Å; F550-L578 HydrophobicContact CG-CD2 4.4Å; F550-T579 CarbonylContact C-O 3.55Å; F550-T579 VanDerWaalsContact CA-O 3.29Å; F550-T579 WeakPolarHBondContact CA-O 3.25Å; F550-T579 WeakPolarHBondContact CB-O 3.37Å; F550-C581 VanDerWaalsContact C-SG 3.57Å
551	C	74.2	Confident	53.8	Low	2 Å²	2	85.5 Å²	85.5	1%	0.014	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	176.8	175	73.7	0	0	0	0	110.5	A488 C493 L578 T579 C581	A488-C551 HydrophobicContact CB-CB 4.5Å; C493-C551 VanDerWaalsContact CA-SG 3.6Å; C493-C551 HydrophobicContact CB-CB 3.62Å; C493-C551 WeakPolarHBondContact CB-SG 3.41Å; C493-C551 WeakPolarHBondContact SG-CB 3.43Å; C493-C551 CovalentContact SG-SG 2.01Å; C493-C551 PolarHBondContact SG-SG 2.9Å; C551-L578 CarbonylContact O-C 3.55Å; C551-L578 WeakPolarHBondContact O-CA 3.46Å; C551-T579 PolarHBondContact N-O 3.46Å; C551-T579 PolarHBondContact O-N 2.85Å; C551-C581 VanDerWaalsContact CB-SG 3.58Å; C551-C581 PolarHBondContact N-SG 3.39Å
552	L	67.4	Low	52.3	Low	6 Å²	6	90.5 Å²	90.5	3%	0.031	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	135.9	173.1	-73.7	159.2	0	0	0	111	C493 K494 W496 V499 F517 W576 Y577 L578	C493-L552 CarbonylContact C-O 3.56Å; C493-L552 WeakPolarHBondContact CA-O 3.44Å; K494-L552 PolarHBondContact N-O 3.49Å; W496-L552 HydrophobicContact CD2-CD1 3.48Å; W496-L552 VanDerWaalsContact CD2-CD1 3.48Å; W496-L552 VanDerWaalsContact CE2-CD1 3.43Å; W496-L552 HydrophobicContact CE3-CD1 3.56Å; W496-L552 HydrophobicContact CG-CD1 4.21Å; W496-L552 HydrophobicContact CH2-CD1 3.62Å; W496-L552 HydrophobicContact CH2-CG 4.45Å; W496-L552 HydrophobicContact CZ2-CD1 3.51Å; W496-L552 HydrophobicContact CZ2-CG 4.18Å; W496-L552 HydrophobicContact CZ3-CD1 3.64Å; V499-L552 HydrophobicContact CG2-CD1 3.6Å; F517-L552 HydrophobicContact CE2-CD2 4.1Å; F517-L552 HydrophobicContact CZ-CD2 4.32Å; L552-W576 HydrophobicContact CB-CE3 4.08Å; L552-W576 HydrophobicContact CB-CZ3 4.21Å; L552-Y577 WeakPolarHBondContact CA-O 3.35Å; L552-L578 HydrophobicContact CD2-CD2 4.15Å
553	S	69.6	Low	51.3	Low	8 Å²	8	96.4 Å²	96.4	6%	0.056	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	164	177.4	71.8	0	0	0	0	112.8	E492 Y577 T579	E492-S553 WeakPolarHBondContact O-CA 3.38Å; E492-S553 WeakPolarHBondContact O-CB 3.27Å; S553-Y577 PolarHBondContact N-O 3.23Å; S553-Y577 PolarHBondContact O-N 2.82Å; S553-T579 VanDerWaalsContact CB-OG1 3.22Å; S553-T579 WeakPolarHBondContact CB-OG1 3.48Å; S553-T579 PolarHBondContact OG-OG1 3.21Å
554	R	71.7	Confident	50.4	Low	128 Å²	128	99.6 Å²	99.6	48%	0.483	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.6	176.7	-164.8	176.3	87.7	167.4	0.9	109.8	E556 E574	R554-E556 PolarHBondContact O-N 2.94Å; R554-E574 IonicContact CZ-OE1 3.89Å; R554-E574 IonicContact NH1-OE1 2.8Å; R554-E574 PolarHBondContact NH1-OE1 2.9Å
555	K	59.1	Low	49.5	Very low	141 Å²	141	105 Å²	105	61%	0.613	53%	0.53	S	S	*	.			trans	-78.9	117.5	176.5	-164	178.4	-176.4	-176.2	0	110.6	N557 Y577	K555-N557 PolarHBondContact O-N 3.29Å; K555-Y577 HydrophobicContact CB-CE2 4.07Å
556	E	51.2	Low	48.8	Very low	134 Å²	134	107.2 Å²	107.2	63%	0.626	54%	0.541	S	S	*	.			trans	-77.6	104.8	167.3	-71.8	-173.8	177.1	0	0	109	R554 R558	R554-E556 PolarHBondContact O-N 2.94Å; E556-R558 VanDerWaalsContact C-N 3.34Å; E556-R558 PolarHBondContact O-N 2.9Å
557	N	46.9	Very low	47.9	Very low	138 Å²	138	115.4 Å²	115.4	74%	0.738	57%	0.572	S	S	*	*			trans	-71.1	92	171.5	-83.2	-5.4	0	0	0	109.2	K555 E559	K555-N557 PolarHBondContact O-N 3.29Å; N557-E559 VanDerWaalsContact C-N 3.33Å; N557-E559 PolarHBondContact O-N 3.34Å
558	R	35.3	Very low	46.7	Very low	218 Å²	218	115.3 Å²	115.3	82%	0.823	57%	0.572	S	S	*	*			trans	-86.6	68	164.2	-69.9	-173.8	179.7	-170.8	-0.8	110.1	E556	E556-R558 VanDerWaalsContact C-N 3.34Å; E556-R558 PolarHBondContact O-N 2.9Å
559	E	36.7	Very low	44.8	Very low	163 Å²	163	118.3 Å²	118.3	76%	0.762	59%	0.588	S	S	*	*			trans	-137.7	105.4	166.9	-72	-169.2	174.9	0	0	110.6	N557 F561	N557-E559 VanDerWaalsContact C-N 3.33Å; N557-E559 PolarHBondContact O-N 3.34Å; E559-F561 PolarHBondContact O-N 3.31Å
560	T	29.9	Very low	43	Very low	138 Å²	138	123.2 Å²	123.2	85%	0.847	62%	0.62	S	S	*	*			trans	-55.6	111.2	168.1	42.9	0	0	0	0	110.8
561	F	28.9	Very low	41.3	Very low	184 Å²	184	128.4 Å²	128.4	81%	0.807	65%	0.649	S	S	*	*			trans	-127.3	138.1	157.5	-88.9	-82.7	0	0	0	110.5	E559	E559-F561 PolarHBondContact O-N 3.31Å
562	P	29.7	Very low	39.5	Very low	108 Å²	108	136.8 Å²	136.8	70%	0.701	69%	0.688	S	S	*	*			trans	-88.5	138.2	-166.1	2.8	18.5	0	0	0	112
563	D	28.1	Very low	38.2	Very low	160 Å²	160	141 Å²	141	86%	0.856	71%	0.71	S	S	*	*			trans	25.6	90.4	147.9	-65.4	-26.5	0	0	0	118.7
564	I	29.2	Very low	37.1	Very low	160 Å²	160	145.3 Å²	145.3	82%	0.821	73%	0.729	S	S	*	*			trans	-131.6	111.1	139.6	-59.6	-178.9	0	0	0	109.1	I566	I564-I566 PolarHBondContact O-N 3.29Å
565	S	28.8	Very low	35.9	Very low	117 Å²	117	145 Å²	145	82%	0.818	73%	0.731	S	S	*	*			trans	-72.6	94.8	178.6	54.1	0	0	0	0	112.4
566	I	27.6	Very low	35.8	Very low	158 Å²	158	139.8 Å²	139.8	81%	0.81	71%	0.708	S	S	*	*			trans	-136.2	126.8	149.8	-60.2	-177.2	0	0	0	108.9	I564	I564-I566 PolarHBondContact O-N 3.29Å
567	K	28.5	Very low	36	Very low	194 Å²	194	138.2 Å²	138.2	84%	0.843	70%	0.697	S	S	*	*			trans	-60.1	142.9	-171.3	-66.4	169.2	174.8	176.6	0	112.7
568	S	29.7	Very low	36.7	Very low	107 Å²	107	135 Å²	135	75%	0.748	68%	0.679	S	S	*	*			trans	61.6	80.2	153.3	65	0	0	0	0	118.4
569	K	25.1	Very low	38.2	Very low	196 Å²	196	125.8 Å²	125.8	85%	0.852	65%	0.647	S	S	*	*			trans	-109.5	100.7	135.1	-96.8	-176.1	176.7	178.1	0	108.4
570	P	33.2	Very low	39.9	Very low	103 Å²	103	120.9 Å²	120.9	67%	0.669	63%	0.631	S	S	*	*			trans	-72.1	158.6	160.9	33.6	-29.1	0	0	0	108
571	N	36.4	Very low	42.1	Very low	133 Å²	133	114.3 Å²	114.3	71%	0.711	59%	0.59	S	S	*	*			trans	88.8	48.1	-177	-49.9	-6.4	0	0	0	114.4	L573	N571-L573 PolarHBondContact O-N 2.71Å
572	H	36.8	Very low	44.2	Very low	179 Å²	179	110.1 Å²	110.1	83%	0.829	57%	0.57	S	S	*	*			trans	-61.4	87.1	140.3	-81.9	-78.2	0	0	0	107.7	E574	H572-E574 PolarHBondContact O-N 3.36Å
573	L	40	Very low	46.1	Very low	95 Å²	95	112.2 Å²	112.2	50%	0.497	57%	0.57	S	S	.	*			trans	-56.2	109.9	172.8	-90.6	134.7	0	0	0	108.6	N508 N571 K575	N508-L573 HydrophobicContact CB-CD1 4.03Å; N508-L573 HydrophobicContact CB-CD2 3.58Å; N508-L573 HydrophobicContact CB-CG 4.47Å; N571-L573 PolarHBondContact O-N 2.71Å; L573-K575 PolarHBondContact O-N 3.47Å
574	E	46.1	Very low	48.2	Very low	97 Å²	97	105.3 Å²	105.3	45%	0.453	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-62.3	118.6	179.1	-64.4	-167.4	141.1	0	0	109.6	R554 H572	R554-E574 IonicContact CZ-OE1 3.89Å; R554-E574 IonicContact NH1-OE1 2.8Å; R554-E574 PolarHBondContact NH1-OE1 2.9Å; H572-E574 PolarHBondContact O-N 3.36Å
575	K	46.1	Very low	50	Low	122 Å²	122	101.7 Å²	101.7	53%	0.53	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-86	117	178.5	-70.1	-172.7	179.4	-176.3	0	110.2	L573 Y577	L573-K575 PolarHBondContact O-N 3.47Å; K575-Y577 HydrophobicContact CB-CE2 3.59Å; K575-Y577 VanDerWaalsContact CD-OH 3.32Å; K575-Y577 WeakPolarHBondContact CD-OH 3.47Å; K575-Y577 WeakPolarHBondContact O-CD2 3.5Å; K575-Y577 WeakPolarHBondContact O-CE2 3.02Å
576	W	56.7	Low	51.7	Low	31 Å²	31	103.7 Å²	103.7	12%	0.117	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	141.6	171.1	-70.9	86.5	0	0	0	110.3	K494 N498 V499 L552	K494-W576 HydrophobicContact CB-CH2 4.33Å; K494-W576 HydrophobicContact CB-CZ3 4.06Å; K494-W576 HydrophobicContact CG-CZ3 4.5Å; N498-W576 HydrophobicContact CB-CH2 3.63Å; N498-W576 HydrophobicContact CB-CZ2 4.22Å; V499-W576 HydrophobicContact CG2-CD2 4Å; V499-W576 HydrophobicContact CG2-CE3 3.85Å; V499-W576 HydrophobicContact CG2-CH2 3.99Å; V499-W576 HydrophobicContact CG2-CZ2 4.14Å; V499-W576 HydrophobicContact CG2-CZ3 3.84Å; L552-W576 HydrophobicContact CB-CE3 4.08Å; L552-W576 HydrophobicContact CB-CZ3 4.21Å
577	Y	56.2	Low	53.4	Low	101 Å²	101	97.4 Å²	97.4	40%	0.396	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.8	178.5	-60.5	-87.8	0	0	0	110.3	L552 S553 K555 K575 T579	L552-Y577 WeakPolarHBondContact CA-O 3.35Å; S553-Y577 PolarHBondContact N-O 3.23Å; S553-Y577 PolarHBondContact O-N 2.82Å; K555-Y577 HydrophobicContact CB-CE2 4.07Å; K575-Y577 HydrophobicContact CB-CE2 3.59Å; K575-Y577 VanDerWaalsContact CD-OH 3.32Å; K575-Y577 WeakPolarHBondContact CD-OH 3.47Å; K575-Y577 WeakPolarHBondContact O-CD2 3.5Å; K575-Y577 WeakPolarHBondContact O-CE2 3.02Å; Y577-T579 PolarHBondContact O-N 3.14Å
578	L	61.8	Low	54.6	Low	72 Å²	72	93.5 Å²	93.5	38%	0.377	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	111.8	165.2	-69.2	164.9	0	0	0	107.4	F517 F550 C551 L552	F517-L578 HydrophobicContact CE2-CD2 4.31Å; F550-L578 HydrophobicContact CD2-CD2 3.43Å; F550-L578 VanDerWaalsContact CD2-CD2 3.43Å; F550-L578 HydrophobicContact CE2-CD2 3.59Å; F550-L578 HydrophobicContact CG-CD2 4.4Å; C551-L578 CarbonylContact O-C 3.55Å; C551-L578 WeakPolarHBondContact O-CA 3.46Å; L552-L578 HydrophobicContact CD2-CD2 4.15Å
579	T	66.8	Low	55.3	Low	23 Å²	23	96.9 Å²	96.9	14%	0.141	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.3	173.7	-68.3	0	0	0	0	108.6	F550 C551 S553 Y577 C581	F550-T579 CarbonylContact C-O 3.55Å; F550-T579 VanDerWaalsContact CA-O 3.29Å; F550-T579 WeakPolarHBondContact CA-O 3.25Å; F550-T579 WeakPolarHBondContact CB-O 3.37Å; C551-T579 PolarHBondContact N-O 3.46Å; C551-T579 PolarHBondContact O-N 2.85Å; S553-T579 VanDerWaalsContact CB-OG1 3.22Å; S553-T579 WeakPolarHBondContact CB-OG1 3.48Å; S553-T579 PolarHBondContact OG-OG1 3.21Å; Y577-T579 PolarHBondContact O-N 3.14Å; T579-C581 PolarHBondContact O-N 3.3Å
580	S	72.9	Confident	55.8	Low	60 Å²	60	94 Å²	94	42%	0.42	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	133.1	172.7	-174.1	0	0	0	0	109.6	Y582	S580-Y582 VanDerWaalsContact O-CD1 3.32Å; S580-Y582 WeakPolarHBondContact O-CD1 3.29Å
581	C	76.4	Confident	55.7	Low	0 Å²	0	94.4 Å²	94.4	0%	0	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-83	125.7	177.4	-66.1	0	0	0	0	110.9	C539 P549 F550 C551 T579 I584	C539-C581 HydrophobicContact CB-CB 3.59Å; C539-C581 WeakPolarHBondContact CB-SG 3.37Å; C539-C581 WeakPolarHBondContact SG-CB 3.44Å; C539-C581 CovalentContact SG-SG 2Å; C539-C581 PolarHBondContact SG-SG 3.1Å; P549-C581 WeakPolarHBondContact O-CB 3.43Å; P549-C581 PolarHBondContact O-N 3.5Å; F550-C581 VanDerWaalsContact C-SG 3.57Å; C551-C581 VanDerWaalsContact CB-SG 3.58Å; C551-C581 PolarHBondContact N-SG 3.39Å; T579-C581 PolarHBondContact O-N 3.3Å; C581-I584 HydrophobicContact CB-CD1 3.57Å; C581-I584 HydrophobicContact CB-CG1 4.38Å
582	Y	73	Confident	55.3	Low	97 Å²	97	95 Å²	95	38%	0.38	50%	0.495	S	S	.	.			trans	-112.5	168.1	176.1	48.5	-85	0	0	0	110.3	M490 E492 S580 I584	M490-Y582 WeakPolarHBondContact CE-O 3.49Å; M490-Y582 HydrophobicContact CG-CE1 4.38Å; M490-Y582 HydrophobicContact CG-CE2 4.45Å; M490-Y582 HydrophobicContact SD-CD1 4.17Å; M490-Y582 HydrophobicContact SD-CD2 3.31Å; M490-Y582 WeakPolarHBondContact SD-CD2 3.26Å; M490-Y582 HydrophobicContact SD-CE1 4.03Å; M490-Y582 HydrophobicContact SD-CE2 3.15Å; M490-Y582 WeakPolarHBondContact SD-CE2 3.33Å; M490-Y582 HydrophobicContact SD-CG 3.83Å; M490-Y582 VanDerWaalsContact SD-CZ 3.52Å; E492-Y582 PolarHBondContact OE1-OH 3.07Å; S580-Y582 VanDerWaalsContact O-CD1 3.32Å; S580-Y582 WeakPolarHBondContact O-CD1 3.29Å; Y582-I584 PolarHBondContact O-N 3.09Å
583	Q	69.7	Low	54.9	Low	152 Å²	152	93.1 Å²	93.1	71%	0.71	49%	0.491	S	S	*	.			trans	62.3	16.2	-176.5	-60.1	178.9	-6.3	0	0	116.9	M490	M490-Q583 HydrophobicContact CE-CB 3.86Å; M490-Q583 HydrophobicContact CE-CG 4.33Å
584	I	71	Confident	54.3	Low	14 Å²	14	92.7 Å²	92.7	7%	0.072	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-74.1	125.8	169	-60.6	167.6	0	0	0	108.5	I477 Y484 C539 P549 C581 Y582 Q586	I477-I584 HydrophobicContact CD1-CB 3.62Å; I477-I584 HydrophobicContact CD1-CD1 3.86Å; I477-I584 HydrophobicContact CD1-CG1 4.33Å; I477-I584 HydrophobicContact CD1-CG2 3.64Å; I477-I584 HydrophobicContact CG1-CB 4.19Å; I477-I584 HydrophobicContact CG1-CG2 3.6Å; Y484-I584 HydrophobicContact CD1-CD1 4.23Å; Y484-I584 HydrophobicContact CD2-CG2 3.89Å; Y484-I584 HydrophobicContact CE1-CD1 3.68Å; Y484-I584 HydrophobicContact CE1-CG1 4.4Å; Y484-I584 HydrophobicContact CE1-CG2 4.45Å; Y484-I584 HydrophobicContact CE2-CB 4.4Å; Y484-I584 HydrophobicContact CE2-CD1 4.3Å; Y484-I584 HydrophobicContact CE2-CG1 4.46Å; Y484-I584 HydrophobicContact CE2-CG2 3.14Å; Y484-I584 VanDerWaalsContact CZ-CG2 3.46Å; C539-I584 HydrophobicContact CB-CD1 4.04Å; P549-I584 HydrophobicContact CB-CD1 4.06Å; P549-I584 HydrophobicContact CG-CD1 4.22Å; C581-I584 HydrophobicContact CB-CD1 3.57Å; C581-I584 HydrophobicContact CB-CG1 4.38Å; Y582-I584 PolarHBondContact O-N 3.09Å; I584-Q586 PolarHBondContact O-N 2.81Å
585	P	66.6	Low	53.3	Low	84 Å²	84	94.5 Å²	94.5	55%	0.545	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-60.4	132.9	179	23.1	-30.8	0	0	0	110.1	C476 I477	C476-P585 CarbonylContact C-O 3.58Å; C476-P585 WeakPolarHBondContact CA-O 3.45Å; C476-P585 WeakPolarHBondContact CB-O 3.38Å; I477-P585 PolarHBondContact N-O 3.22Å
586	Q	64.8	Low	52.4	Low	160 Å²	160	98 Å²	98	75%	0.748	52%	0.52	S	S	*	.	B	Isolated β-bridge	trans	-63.3	143.8	162.3	-84	-176.6	-43.9	0	0	107.7	I477 I584 S588	I477-Q586 WeakPolarHBondContact O-CA 3.47Å; I584-Q586 PolarHBondContact O-N 2.81Å; Q586-S588 PolarHBondContact O-N 3.12Å
587	C	62.8	Low	50.8	Low	25 Å²	25	103.4 Å²	103.4	17%	0.169	55%	0.546	C	S	.	.	P	Polyproline II helix	trans	-55.4	123	173.6	-59.7	0	0	0	0	106.4	N473 C476 I477 E589	N473-C587 PolarHBondContact OD1-SG 3.04Å; N473-C587 VanDerWaalsContact OD1-SG 3.41Å; C476-C587 VanDerWaalsContact CB-CA 3.47Å; C476-C587 HydrophobicContact CB-CB 3.83Å; C476-C587 WeakPolarHBondContact CB-SG 3.33Å; C476-C587 PolarHBondContact O-SG 3.38Å; C476-C587 WeakPolarHBondContact SG-CA 3.1Å; C476-C587 WeakPolarHBondContact SG-CB 3.49Å; C476-C587 CovalentContact SG-SG 2.03Å; C476-C587 PolarHBondContact SG-SG 3.34Å; I477-C587 PolarHBondContact O-N 2.87Å; C587-E589 PolarHBondContact O-N 2.92Å
588	S	54	Low	49.4	Very low	112 Å²	112	106 Å²	106	78%	0.783	56%	0.561	S	S	*	*			trans	-54.5	110.9	176.7	49.5	0	0	0	0	105.9	Q586 T590	Q586-S588 PolarHBondContact O-N 3.12Å; S588-T590 PolarHBondContact O-N 2.9Å
589	E	45.1	Very low	47.5	Very low	179 Å²	179	109 Å²	109	84%	0.836	58%	0.578	S	S	*	*			trans	-48.3	130.4	161.1	-72	-175.7	170.5	0	0	104.5	C587 S591	C587-E589 PolarHBondContact O-N 2.92Å; E589-S591 VanDerWaalsContact C-N 3.31Å; E589-S591 PolarHBondContact O-N 3.28Å
590	T	36.6	Very low	45.5	Very low	135 Å²	135	119.8 Å²	119.8	83%	0.828	62%	0.616	S	S	*	*			trans	-45.8	110.4	166.5	38.8	0	0	0	0	106.9	S588 N592	S588-T590 PolarHBondContact O-N 2.9Å; T590-N592 VanDerWaalsContact C-N 3.35Å; T590-N592 PolarHBondContact O-N 2.83Å
591	S	30.8	Very low	43.2	Very low	112 Å²	112	122.6 Å²	122.6	78%	0.783	63%	0.631	S	S	*	*			trans	-50.2	102	170.9	48.7	0	0	0	0	107.9	E589	E589-S591 VanDerWaalsContact C-N 3.31Å; E589-S591 PolarHBondContact O-N 3.28Å
592	N	28.2	Very low	40.7	Very low	144 Å²	144	131.1 Å²	131.1	77%	0.77	68%	0.676	S	S	*	*			trans	-127.4	109.5	132.2	-95	-13.4	0	0	0	106.3	T590	T590-N592 VanDerWaalsContact C-N 3.35Å; T590-N592 PolarHBondContact O-N 2.83Å
593	N	28.5	Very low	38.5	Very low	140 Å²	140	130.6 Å²	130.6	75%	0.749	70%	0.7	S	S	*	*			trans	62.7	99	146.2	-64.2	-7.7	0	0	0	117.5
594	S	26.6	Very low	36.3	Very low	86 Å²	86	126.7 Å²	126.7	60%	0.601	70%	0.701	S	S	*	*				83.8	108.9	78	70.1	0	0	0	0	113.1
595	D	25.4	Very low	34.2	Very low	136 Å²	136	135.9 Å²	135.9	73%	0.727	74%	0.743	S	S	*	*			trans	69.6	139.7	131.7	-55.4	-32.6	0	0	0	122
596	Y	26	Very low	32.4	Very low	195 Å²	195	137.1 Å²	137.1	77%	0.765	75%	0.754	S	S	*	*			trans	85.5	99.2	163.7	-60.2	-77.8	0	0	0	116.5
597	H	24.1	Very low	30.7	Very low	145 Å²	145	136 Å²	136	67%	0.671	76%	0.758	S	S	*	*				82.9	127.8	74	-92	-88.9	0	0	0	114
598	H	25.9	Very low	29.1	Very low	154 Å²	154	146.3 Å²	146.3	71%	0.713	79%	0.793	S	S	*	*			trans	74.9	113.2	155.7	-65.3	-58.5	0	0	0	119.2
599	N	23.5	Very low	28	Very low	137 Å²	137	144.4 Å²	144.4	73%	0.733	79%	0.791	S	S	*	*				10.8	127.9	129.6	-55.6	-18.1	0	0	0	114.8
600	W	24.8	Very low	27.3	Very low	248 Å²	248	143 Å²	143	94%	0.939	79%	0.789	S	S	*	*				-165	147.4	106	-96.5	26.2	0	0	0	110.7
601	T	24.6	Very low	27.4	Very low	119 Å²	119	144.5 Å²	144.5	73%	0.73	79%	0.786	S	S	*	*			trans	-60.1	146.6	179.5	40.2	0	0	0	0	114.3
602	L	23.6	Very low	28.1	Very low	180 Å²	180	145.7 Å²	145.7	94%	0.942	78%	0.782	S	S	*	*			trans	27.4	123.3	140	-103.4	83.5	0	0	0	118.4
603	G	25.1	Very low	29.6	Very low	85 Å²	85	142.8 Å²	142.8	88%	0.876	77%	0.77	S	S	*	*			trans	138.5	111.1	140.3	0	0	0	0	0	114.2
604	G	25.4	Very low	31	Very low	71 Å²	71	143.8 Å²	143.8	73%	0.732	77%	0.77	S	S	*	*			trans	124.7	61.1	157.9	0	0	0	0	0	115.2	S606	G604-S606 PolarHBondContact O-N 2.67Å
605	E	25.3	Very low	32.8	Very low	206 Å²	206	143 Å²	143	96%	0.963	76%	0.764	S	S	*	*			trans	-59	105	148.8	-76.1	-176.9	157.6	0	0	108
606	S	30.3	Very low	34	Very low	111 Å²	111	141.7 Å²	141.7	78%	0.776	75%	0.754	S	S	*	*			trans	-126.4	111.6	156.3	58.1	0	0	0	0	107	G604 R608	G604-S606 PolarHBondContact O-N 2.67Å; S606-R608 PolarHBondContact O-N 3.26Å
607	V	29.1	Very low	35.8	Very low	137 Å²	137	136.9 Å²	136.9	83%	0.83	74%	0.741	S	S	*	*			trans	-59	119.5	176.8	175	0	0	0	0	109.5
608	R	29	Very low	38.1	Very low	241 Å²	241	136.4 Å²	136.4	91%	0.909	74%	0.739	S	S	*	*			trans	-175.2	125.3	139.2	-102	169.5	-133.7	-150.5	4.4	109.5	S606	S606-R608 PolarHBondContact O-N 3.26Å
609	G	30.1	Very low	40.2	Very low	72 Å²	72	132.9 Å²	132.9	74%	0.742	73%	0.729	S	S	*	*			trans	-64.9	151	-172.3	0	0	0	0	0	113.9
610	L	31	Very low	42.4	Very low	150 Å²	150	131 Å²	131	79%	0.785	72%	0.718	S	S	*	*			trans	-152.2	108	159.8	-121.9	86.5	0	0	0	105.2
611	E	38.4	Very low	44.9	Very low	165 Å²	165	123.5 Å²	123.5	77%	0.771	70%	0.695	S	S	*	*				71.8	98.8	105.5	-72.1	-178.3	168.7	0	0	112.5	T613	E611-T613 PolarHBondContact O-N 3.35Å
612	I	44.4	Very low	47.6	Very low	137 Å²	137	120.4 Å²	120.4	70%	0.703	68%	0.681	S	S	*	*			trans	-58.7	116.1	174.9	-61.9	168.4	0	0	0	107.8	Q616	I612-Q616 HydrophobicContact CG2-CB 3.69Å
613	T	59.7	Low	50.1	Low	84 Å²	84	116 Å²	116	52%	0.515	66%	0.664	S	S	.	*			trans	-66.6	149.2	-179.2	51.2	0	0	0	0	111.4	E611 S615 Q616 L617	E611-T613 PolarHBondContact O-N 3.35Å; T613-S615 PolarHBondContact O-N 3.04Å; T613-S615 PolarHBondContact OG1-OG 3.49Å; T613-Q616 WeakPolarHBondContact O-CB 3.38Å; T613-Q616 PolarHBondContact O-N 2.87Å; T613-L617 PolarHBondContact O-N 3.24Å
614	E	59.4	Low	52.5	Low	160 Å²	160	114.8 Å²	114.8	75%	0.748	64%	0.643	S	S	*	*	H	α-helix	trans	-55.6	-27.4	-175.3	-149.7	173.4	-169.7	0	0	113.2	L617 Q618	E614-L617 PolarHBondContact O-N 3.16Å; E614-Q618 PolarHBondContact O-N 3.33Å
615	S	62.8	Low	55.4	Low	69 Å²	69	114.8 Å²	114.8	48%	0.483	63%	0.628	S	S	.	*	H	α-helix	trans	-70.7	-36.3	174.5	58.6	0	0	0	0	113.5	T613 L617 Q618 T619	T613-S615 PolarHBondContact O-N 3.04Å; T613-S615 PolarHBondContact OG1-OG 3.49Å; S615-L617 VanDerWaalsContact C-N 3.35Å; S615-Q618 PolarHBondContact O-N 3.08Å; S615-T619 PolarHBondContact O-N 2.82Å; S615-T619 VanDerWaalsContact O-N 3.08Å; S615-T619 PolarHBondContact O-OG1 3.41Å
616	Q	52.1	Low	58.3	Low	110 Å²	110	109 Å²	109	51%	0.514	61%	0.607	S	S	.	*	H	α-helix	trans	-67.4	-39.3	174	-68.8	-75.1	-39.2	0	0	110.3	I612 T613 T619 I620	I612-Q616 HydrophobicContact CG2-CB 3.69Å; T613-Q616 WeakPolarHBondContact O-CB 3.38Å; T613-Q616 PolarHBondContact O-N 2.87Å; Q616-T619 PolarHBondContact O-N 2.88Å; Q616-I620 VanDerWaalsContact O-CG1 3.28Å; Q616-I620 WeakPolarHBondContact O-CG1 3.24Å; Q616-I620 PolarHBondContact O-N 3.04Å
617	L	64	Low	60.8	Low	93 Å²	93	105.1 Å²	105.1	49%	0.487	59%	0.585	S	S	.	*	H	α-helix	trans	-63.9	-42.9	175.7	-169.6	68.7	0	0	0	111.8	T613 E614 S615 T619 I620 I621	T613-L617 PolarHBondContact O-N 3.24Å; E614-L617 PolarHBondContact O-N 3.16Å; S615-L617 VanDerWaalsContact C-N 3.35Å; L617-T619 VanDerWaalsContact C-N 3.3Å; L617-T619 PolarHBondContact O-N 2.88Å; L617-I620 PolarHBondContact O-N 3.08Å; L617-I621 HydrophobicContact CG-CD1 4.01Å; L617-I621 WeakPolarHBondContact O-CB 3.5Å; L617-I621 VanDerWaalsContact O-CG1 3.24Å; L617-I621 WeakPolarHBondContact O-CG1 2.99Å; L617-I621 PolarHBondContact O-N 2.84Å
618	Q	72.3	Confident	63.5	Low	136 Å²	136	104 Å²	104	64%	0.636	57%	0.573	S	S	*	*	H	α-helix	trans	-62	-37.7	174.5	-79.3	-175.7	-11.3	0	0	112.6	E614 S615 I621 A622	E614-Q618 PolarHBondContact O-N 3.33Å; S615-Q618 PolarHBondContact O-N 3.08Å; Q618-I621 PolarHBondContact O-N 3Å; Q618-A622 WeakPolarHBondContact O-CB 3.37Å; Q618-A622 PolarHBondContact O-N 2.85Å
619	T	69.2	Low	66.3	Low	80 Å²	80	96.9 Å²	96.9	49%	0.491	55%	0.552	S	S	.	*	H	α-helix	trans	-68.9	-40.7	178.5	-47.8	0	0	0	0	111.2	S615 Q616 L617 A622 C623	S615-T619 PolarHBondContact O-N 2.82Å; S615-T619 VanDerWaalsContact O-N 3.08Å; S615-T619 PolarHBondContact O-OG1 3.41Å; Q616-T619 PolarHBondContact O-N 2.88Å; L617-T619 VanDerWaalsContact C-N 3.3Å; L617-T619 PolarHBondContact O-N 2.88Å; T619-A622 PolarHBondContact O-N 2.75Å; T619-C623 WeakPolarHBondContact O-CB 3.4Å; T619-C623 PolarHBondContact O-N 3.24Å; T619-C623 PolarHBondContact O-SG 2.82Å; T619-C623 VanDerWaalsContact O-SG 3.41Å
620	I	68.7	Low	68.9	Low	97 Å²	97	98 Å²	98	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-64.2	-42.8	174.7	-66.8	164.8	0	0	0	110.6	Q616 L617 C623 S624	Q616-I620 VanDerWaalsContact O-CG1 3.28Å; Q616-I620 WeakPolarHBondContact O-CG1 3.24Å; Q616-I620 PolarHBondContact O-N 3.04Å; L617-I620 PolarHBondContact O-N 3.08Å; I620-C623 PolarHBondContact O-N 2.99Å; I620-S624 WeakPolarHBondContact O-CB 3.39Å; I620-S624 PolarHBondContact O-N 3.03Å; I620-S624 PolarHBondContact O-OG 2.86Å
621	I	77.9	Confident	71.2	Confident	90 Å²	90	94.2 Å²	94.2	46%	0.462	53%	0.526	S	S	.	.	H	α-helix	trans	-63.6	-46.3	176.5	-67.3	166.5	0	0	0	110.1	L617 Q618 C623 S624 V625	L617-I621 HydrophobicContact CG-CD1 4.01Å; L617-I621 WeakPolarHBondContact O-CB 3.5Å; L617-I621 VanDerWaalsContact O-CG1 3.24Å; L617-I621 WeakPolarHBondContact O-CG1 2.99Å; L617-I621 PolarHBondContact O-N 2.84Å; Q618-I621 PolarHBondContact O-N 3Å; I621-C623 PolarHBondContact O-N 3.41Å; I621-S624 PolarHBondContact O-N 2.86Å; I621-S624 VanDerWaalsContact O-N 3.16Å; I621-S624 PolarHBondContact O-OG 3.21Å; I621-V625 HydrophobicContact CG2-CG2 4.36Å; I621-V625 WeakPolarHBondContact O-CG2 3.45Å; I621-V625 PolarHBondContact O-N 3.16Å
622	A	81.3	Confident	73.5	Confident	54 Å²	54	92 Å²	92	45%	0.446	52%	0.519	S	S	.	.	H	α-helix	trans	-59.9	-46.4	177.5	0	0	0	0	0	112.1	Q618 T619 S624 V625 V626	Q618-A622 WeakPolarHBondContact O-CB 3.37Å; Q618-A622 PolarHBondContact O-N 2.85Å; T619-A622 PolarHBondContact O-N 2.75Å; A622-S624 VanDerWaalsContact C-N 3.32Å; A622-S624 PolarHBondContact O-N 2.94Å; A622-V625 PolarHBondContact O-N 3.13Å; A622-V626 WeakPolarHBondContact O-CG2 3.15Å; A622-V626 PolarHBondContact O-N 3.43Å
623	C	76.2	Confident	75.5	Confident	87 Å²	87	90.9 Å²	90.9	59%	0.588	51%	0.514	S	S	*	.	H	α-helix	trans	-61.4	-38.5	174.9	-75.5	0	0	0	0	112.3	T619 I620 I621 G627	T619-C623 WeakPolarHBondContact O-CB 3.4Å; T619-C623 PolarHBondContact O-N 3.24Å; T619-C623 PolarHBondContact O-SG 2.82Å; T619-C623 VanDerWaalsContact O-SG 3.41Å; I620-C623 PolarHBondContact O-N 2.99Å; I621-C623 PolarHBondContact O-N 3.41Å; C623-G627 PolarHBondContact O-N 2.97Å
624	S	76.3	Confident	76.5	Confident	60 Å²	60	91.7 Å²	91.7	42%	0.42	51%	0.514	S	S	.	.	H	α-helix	trans	-67.8	-37.2	177.2	77.3	0	0	0	0	112.7	I620 I621 A622 G627 L628	I620-S624 WeakPolarHBondContact O-CB 3.39Å; I620-S624 PolarHBondContact O-N 3.03Å; I620-S624 PolarHBondContact O-OG 2.86Å; I621-S624 PolarHBondContact O-N 2.86Å; I621-S624 VanDerWaalsContact O-N 3.16Å; I621-S624 PolarHBondContact O-OG 3.21Å; A622-S624 VanDerWaalsContact C-N 3.32Å; A622-S624 PolarHBondContact O-N 2.94Å; S624-G627 PolarHBondContact O-N 3.22Å; S624-L628 WeakPolarHBondContact O-CB 3.28Å; S624-L628 WeakPolarHBondContact O-CG 3.41Å; S624-L628 PolarHBondContact O-N 3.26Å
625	V	85.8	Confident	77.4	Confident	71 Å²	71	88.3 Å²	88.3	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-69.6	-44.2	177.1	173.2	0	0	0	0	110.6	I621 A622 G627 L628 I629	I621-V625 HydrophobicContact CG2-CG2 4.36Å; I621-V625 WeakPolarHBondContact O-CG2 3.45Å; I621-V625 PolarHBondContact O-N 3.16Å; A622-V625 PolarHBondContact O-N 3.13Å; V625-G627 VanDerWaalsContact C-N 3.33Å; V625-G627 PolarHBondContact O-N 2.89Å; V625-L628 PolarHBondContact O-N 3.5Å; V625-I629 HydrophobicContact CG1-CD1 3.95Å; V625-I629 VanDerWaalsContact O-CG1 3.31Å; V625-I629 WeakPolarHBondContact O-CG1 3.26Å; V625-I629 PolarHBondContact O-N 3.41Å
626	V	87.4	Confident	78.4	Confident	85 Å²	85	86.8 Å²	86.8	52%	0.515	50%	0.495	S	S	.	.	H	α-helix	trans	-62.7	-42	175.1	174.7	0	0	0	0	110.9	A622 L628 I629 L630	A622-V626 WeakPolarHBondContact O-CG2 3.15Å; A622-V626 PolarHBondContact O-N 3.43Å; V626-L628 PolarHBondContact O-N 2.87Å; V626-I629 PolarHBondContact O-N 2.65Å; V626-L630 HydrophobicContact CG1-CD1 4.15Å; V626-L630 PolarHBondContact O-N 3.21Å
627	G	82.2	Confident	79.6	Confident	30 Å²	30	85.2 Å²	85.2	31%	0.309	50%	0.495	S	S	.	.	H	α-helix	trans	-60.8	-41.7	174.5	0	0	0	0	0	113	C623 S624 V625 L630 C631	C623-G627 PolarHBondContact O-N 2.97Å; S624-G627 PolarHBondContact O-N 3.22Å; V625-G627 VanDerWaalsContact C-N 3.33Å; V625-G627 PolarHBondContact O-N 2.89Å; G627-L630 PolarHBondContact O-N 3.48Å; G627-C631 WeakPolarHBondContact O-CB 3.37Å; G627-C631 PolarHBondContact O-N 2.97Å; G627-C631 PolarHBondContact O-SG 3.43Å
628	L	84.5	Confident	79.9	Confident	112 Å²	112	85 Å²	85	59%	0.586	49%	0.494	S	S	*	.	H	α-helix	trans	-66	-41.5	175.8	-85.1	164.9	0	0	0	112.4	S624 V625 V626 C631 L632	S624-L628 WeakPolarHBondContact O-CB 3.28Å; S624-L628 WeakPolarHBondContact O-CG 3.41Å; S624-L628 PolarHBondContact O-N 3.26Å; V625-L628 PolarHBondContact O-N 3.5Å; V626-L628 PolarHBondContact O-N 2.87Å; L628-C631 PolarHBondContact O-N 2.96Å; L628-L632 WeakPolarHBondContact O-CG 3.08Å; L628-L632 PolarHBondContact O-N 3.14Å
629	I	89.5	Confident	79.8	Confident	92 Å²	92	82.9 Å²	82.9	47%	0.472	49%	0.486	S	S	.	.	H	α-helix	trans	-63.2	-44.1	176.2	-67.4	165.7	0	0	0	110.5	V625 V626 C631 L632 L633	V625-I629 HydrophobicContact CG1-CD1 3.95Å; V625-I629 VanDerWaalsContact O-CG1 3.31Å; V625-I629 WeakPolarHBondContact O-CG1 3.26Å; V625-I629 PolarHBondContact O-N 3.41Å; V626-I629 PolarHBondContact O-N 2.65Å; I629-C631 PolarHBondContact O-N 2.71Å; I629-L632 PolarHBondContact O-N 3.23Å; I629-L633 HydrophobicContact CG2-CD1 4.21Å; I629-L633 WeakPolarHBondContact O-CG 3.36Å; I629-L633 PolarHBondContact O-N 3.49Å
630	L	84.6	Confident	80.2	Confident	97 Å²	97	85.9 Å²	85.9	51%	0.508	49%	0.488	S	S	.	.	H	α-helix	trans	-61.8	-41.8	174.9	-79.6	165.9	0	0	0	111.9	V626 G627 L633 I634	V626-L630 HydrophobicContact CG1-CD1 4.15Å; V626-L630 PolarHBondContact O-N 3.21Å; G627-L630 PolarHBondContact O-N 3.48Å; L630-L633 PolarHBondContact O-N 3.44Å; L630-I634 VanDerWaalsContact O-CG1 3.26Å; L630-I634 WeakPolarHBondContact O-CG1 3.28Å; L630-I634 PolarHBondContact O-N 2.95Å
631	C	78.9	Confident	79.5	Confident	69 Å²	69	85.9 Å²	85.9	47%	0.466	49%	0.489	S	S	.	.	H	α-helix	trans	-63.7	-42.5	176.1	-71.6	0	0	0	0	112	G627 L628 I629 L633 I634 I635	G627-C631 WeakPolarHBondContact O-CB 3.37Å; G627-C631 PolarHBondContact O-N 2.97Å; G627-C631 PolarHBondContact O-SG 3.43Å; L628-C631 PolarHBondContact O-N 2.96Å; I629-C631 PolarHBondContact O-N 2.71Å; C631-L633 VanDerWaalsContact C-N 3.35Å; C631-I634 PolarHBondContact O-N 3.4Å; C631-I635 WeakPolarHBondContact O-CB 3.49Å; C631-I635 VanDerWaalsContact O-CG1 3.25Å; C631-I635 WeakPolarHBondContact O-CG1 3.01Å; C631-I635 PolarHBondContact O-N 2.87Å
632	L	86	Confident	78.3	Confident	120 Å²	120	86.5 Å²	86.5	63%	0.628	49%	0.492	S	S	*	.	H	α-helix	trans	-65.5	-37.2	176.7	-71.5	172.4	0	0	0	112	L628 I629 I635 G636	L628-L632 WeakPolarHBondContact O-CG 3.08Å; L628-L632 PolarHBondContact O-N 3.14Å; I629-L632 PolarHBondContact O-N 3.23Å; L632-I635 PolarHBondContact O-N 2.95Å; L632-G636 PolarHBondContact O-N 3.5Å
633	L	86.6	Confident	76.9	Confident	113 Å²	113	88.7 Å²	88.7	59%	0.592	50%	0.496	S	S	*	.	H	α-helix	trans	-65.4	-41.4	173	-74.3	172.6	0	0	0	112.1	I629 L630 C631 G636 C637	I629-L633 HydrophobicContact CG2-CD1 4.21Å; I629-L633 WeakPolarHBondContact O-CG 3.36Å; I629-L633 PolarHBondContact O-N 3.49Å; L630-L633 PolarHBondContact O-N 3.44Å; C631-L633 VanDerWaalsContact C-N 3.35Å; L633-G636 PolarHBondContact O-N 3Å; L633-C637 WeakPolarHBondContact O-CB 3.13Å; L633-C637 PolarHBondContact O-N 2.7Å
634	I	82.1	Confident	75.6	Confident	100 Å²	100	90.3 Å²	90.3	51%	0.513	49%	0.49	S	S	.	.	H	α-helix	trans	-64.3	-45.2	176.1	-69.2	164.9	0	0	0	110.5	L630 C631 G636 C637 I638	L630-I634 VanDerWaalsContact O-CG1 3.26Å; L630-I634 WeakPolarHBondContact O-CG1 3.28Å; L630-I634 PolarHBondContact O-N 2.95Å; C631-I634 PolarHBondContact O-N 3.4Å; I634-G636 PolarHBondContact O-N 3.14Å; I634-C637 WeakPolarHBondContact O-CB 3.5Å; I634-C637 PolarHBondContact O-N 2.75Å; I634-I638 HydrophobicContact CG2-CD1 3.87Å; I634-I638 VanDerWaalsContact O-CG1 3.29Å; I634-I638 WeakPolarHBondContact O-CG1 3.28Å; I634-I638 PolarHBondContact O-N 3.31Å
635	I	78.4	Confident	73.6	Confident	90 Å²	90	91.2 Å²	91.2	46%	0.462	50%	0.496	S	S	.	.	H	α-helix	trans	-62.7	-43.9	176.8	-67.6	165.4	0	0	0	110.4	C631 L632 C637 I638 I639	C631-I635 WeakPolarHBondContact O-CB 3.49Å; C631-I635 VanDerWaalsContact O-CG1 3.25Å; C631-I635 WeakPolarHBondContact O-CG1 3.01Å; C631-I635 PolarHBondContact O-N 2.87Å; L632-I635 PolarHBondContact O-N 2.95Å; I635-C637 PolarHBondContact O-N 3.1Å; I635-I638 PolarHBondContact O-N 3.39Å; I635-I639 HydrophobicContact CG2-CD1 3.85Å; I635-I639 HydrophobicContact CG2-CG1 4.47Å; I635-I639 WeakPolarHBondContact O-CG1 3.44Å; I635-I639 PolarHBondContact O-N 3.47Å
636	G	82.6	Confident	71.4	Confident	37 Å²	37	91.2 Å²	91.2	38%	0.381	50%	0.499	S	S	.	.	H	α-helix	trans	-59.7	-43.3	174.3	0	0	0	0	0	112.7	L632 L633 I634 I639 W640	L632-G636 PolarHBondContact O-N 3.5Å; L633-G636 PolarHBondContact O-N 3Å; I634-G636 PolarHBondContact O-N 3.14Å; G636-I639 PolarHBondContact O-N 3.41Å; G636-W640 VanDerWaalsContact O-CB 3.23Å; G636-W640 WeakPolarHBondContact O-CB 3.44Å; G636-W640 PolarHBondContact O-N 3.43Å
637	C	78.2	Confident	68.7	Low	76 Å²	76	95.8 Å²	95.8	51%	0.514	51%	0.507	S	S	.	.	H	α-helix	trans	-62.3	-41.6	173.9	-94.2	0	0	0	0	112.4	L633 I634 I635 W640 L641	L633-C637 WeakPolarHBondContact O-CB 3.13Å; L633-C637 PolarHBondContact O-N 2.7Å; I634-C637 WeakPolarHBondContact O-CB 3.5Å; I634-C637 PolarHBondContact O-N 2.75Å; I635-C637 PolarHBondContact O-N 3.1Å; C637-W640 PolarHBondContact O-N 3.47Å; C637-L641 VanDerWaalsContact O-CB 3.31Å; C637-L641 WeakPolarHBondContact O-CB 3.41Å; C637-L641 WeakPolarHBondContact O-CG 3.35Å; C637-L641 PolarHBondContact O-N 3.05Å
638	I	69	Low	66.3	Low	89 Å²	89	100.6 Å²	100.6	46%	0.456	52%	0.519	S	S	.	.	H	α-helix	trans	-65.6	-45.9	177.4	-68.8	166.2	0	0	0	110.3	I634 I635 W640 L641 I642	I634-I638 HydrophobicContact CG2-CD1 3.87Å; I634-I638 VanDerWaalsContact O-CG1 3.29Å; I634-I638 WeakPolarHBondContact O-CG1 3.28Å; I634-I638 PolarHBondContact O-N 3.31Å; I635-I638 PolarHBondContact O-N 3.39Å; I638-W640 VanDerWaalsContact C-N 3.31Å; I638-W640 PolarHBondContact O-N 3.04Å; I638-L641 PolarHBondContact O-N 3.43Å; I638-I642 HydrophobicContact CG2-CD1 3.78Å; I638-I642 HydrophobicContact CG2-CG1 4.47Å; I638-I642 WeakPolarHBondContact O-CD1 3.46Å; I638-I642 WeakPolarHBondContact O-CG1 3.32Å; I638-I642 PolarHBondContact O-N 3.13Å
639	I	71.4	Confident	63.5	Low	92 Å²	92	101.7 Å²	101.7	47%	0.472	53%	0.526	S	S	.	.	H	α-helix	trans	-61.9	-42	176.2	-66.8	168.6	0	0	0	110.4	I635 G636 I642 N643	I635-I639 HydrophobicContact CG2-CD1 3.85Å; I635-I639 HydrophobicContact CG2-CG1 4.47Å; I635-I639 WeakPolarHBondContact O-CG1 3.44Å; I635-I639 PolarHBondContact O-N 3.47Å; G636-I639 PolarHBondContact O-N 3.41Å; I639-I642 PolarHBondContact O-N 3.26Å; I639-N643 WeakPolarHBondContact O-CB 3.39Å; I639-N643 PolarHBondContact O-N 3.5Å
640	W	77.7	Confident	60.6	Low	142 Å²	142	103.9 Å²	103.9	54%	0.538	54%	0.537	S	S	.	.	H	α-helix	trans	-65.6	-39.6	176.4	-176.2	87	0	0	0	112.5	G636 C637 I638 N643 R644	G636-W640 VanDerWaalsContact O-CB 3.23Å; G636-W640 WeakPolarHBondContact O-CB 3.44Å; G636-W640 PolarHBondContact O-N 3.43Å; C637-W640 PolarHBondContact O-N 3.47Å; I638-W640 VanDerWaalsContact C-N 3.31Å; I638-W640 PolarHBondContact O-N 3.04Å; W640-N643 PolarHBondContact O-N 3.16Å; W640-R644 VanDerWaalsContact CH2-CD 3.44Å; W640-R644 WeakPolarHBondContact O-CB 3.37Å; W640-R644 PolarHBondContact O-N 2.89Å
641	L	52.7	Low	58	Low	97 Å²	97	105.9 Å²	105.9	51%	0.508	54%	0.544	S	S	.	.	H	α-helix	trans	-63.2	-43.2	173.7	-89.9	155.6	0	0	0	111.6	C637 I638 R644 C645	C637-L641 VanDerWaalsContact O-CB 3.31Å; C637-L641 WeakPolarHBondContact O-CB 3.41Å; C637-L641 WeakPolarHBondContact O-CG 3.35Å; C637-L641 PolarHBondContact O-N 3.05Å; I638-L641 PolarHBondContact O-N 3.43Å; L641-R644 PolarHBondContact O-N 3Å; L641-C645 WeakPolarHBondContact O-CB 3.34Å; L641-C645 PolarHBondContact O-N 3.48Å; L641-C645 PolarHBondContact O-SG 3.21Å; L641-C645 VanDerWaalsContact O-SG 3.4Å
642	I	53.9	Low	55.6	Low	103 Å²	103	109.3 Å²	109.3	53%	0.528	56%	0.557	S	S	.	*	H	α-helix	trans	-62.4	-45.3	176.2	-67.4	164.7	0	0	0	110.2	I638 I639 S646	I638-I642 HydrophobicContact CG2-CD1 3.78Å; I638-I642 HydrophobicContact CG2-CG1 4.47Å; I638-I642 WeakPolarHBondContact O-CD1 3.46Å; I638-I642 WeakPolarHBondContact O-CG1 3.32Å; I638-I642 PolarHBondContact O-N 3.13Å; I639-I642 PolarHBondContact O-N 3.26Å; I642-S646 PolarHBondContact O-N 2.82Å; I642-S646 VanDerWaalsContact O-N 3.13Å
643	N	52.3	Low	52.7	Low	100 Å²	100	107.5 Å²	107.5	54%	0.535	55%	0.554	S	S	.	*	H	α-helix	trans	-71.1	-29	177.4	-78.6	-21.2	0	0	0	113.3	I639 W640 S646 R647	I639-N643 WeakPolarHBondContact O-CB 3.39Å; I639-N643 PolarHBondContact O-N 3.5Å; W640-N643 PolarHBondContact O-N 3.16Å; N643-S646 PolarHBondContact O-OG 3.1Å; N643-S646 VanDerWaalsContact O-OG 3.04Å; N643-R647 PolarHBondContact O-N 2.84Å
644	R	47.1	Very low	49.7	Very low	121 Å²	121	109.5 Å²	109.5	46%	0.457	57%	0.566	S	S	.	*	H	α-helix	trans	-77.4	-36.9	177.1	-170.5	166.1	-179.1	136.4	1.5	111.6	W640 L641 S646 R647 K648	W640-R644 VanDerWaalsContact CH2-CD 3.44Å; W640-R644 WeakPolarHBondContact O-CB 3.37Å; W640-R644 PolarHBondContact O-N 2.89Å; L641-R644 PolarHBondContact O-N 3Å; R644-S646 VanDerWaalsContact C-N 3.3Å; R644-R647 PolarHBondContact O-N 2.96Å; R644-K648 PolarHBondContact O-N 3.35Å
645	C	35.4	Very low	46.8	Very low	80 Å²	80	111.2 Å²	111.2	54%	0.541	58%	0.575	S	S	.	*	H	α-helix	trans	-68.6	-29.2	173.4	-73.5	0	0	0	0	112.1	L641	L641-C645 WeakPolarHBondContact O-CB 3.34Å; L641-C645 PolarHBondContact O-N 3.48Å; L641-C645 PolarHBondContact O-SG 3.21Å; L641-C645 VanDerWaalsContact O-SG 3.4Å
646	S	38.7	Very low	44.1	Very low	70 Å²	70	115 Å²	115	49%	0.49	59%	0.59	S	S	.	*	H	α-helix	trans	-71.2	-33.4	171.6	81.8	0	0	0	0	112.4	I642 N643 R644 I650	I642-S646 PolarHBondContact O-N 2.82Å; I642-S646 VanDerWaalsContact O-N 3.13Å; N643-S646 PolarHBondContact O-OG 3.1Å; N643-S646 VanDerWaalsContact O-OG 3.04Å; R644-S646 VanDerWaalsContact C-N 3.3Å; S646-I650 WeakPolarHBondContact O-CD1 3.46Å; S646-I650 WeakPolarHBondContact O-CG1 3.36Å
647	R	32.2	Very low	41.2	Very low	181 Å²	181	123 Å²	123	68%	0.683	62%	0.615	S	S	*	*	H	α-helix	trans	-81.8	-38.4	-179.3	-153.3	169.2	-175.7	173.7	1.4	113.8	N643 R644 N649 I650	N643-R647 PolarHBondContact O-N 2.84Å; R644-R647 PolarHBondContact O-N 2.96Å; R647-N649 VanDerWaalsContact C-N 3.35Å; R647-N649 PolarHBondContact O-N 3.31Å; R647-I650 PolarHBondContact O-N 3.3Å
648	K	29.9	Very low	38.5	Very low	131 Å²	131	123.5 Å²	123.5	57%	0.57	62%	0.619	S	S	*	*	H	α-helix	trans	-72.2	-23.8	179.4	-95.5	-167.8	169.6	-166.2	0	114.5	R644 I650	R644-K648 PolarHBondContact O-N 3.35Å; K648-I650 VanDerWaalsContact C-N 3.27Å
649	N	27.5	Very low	36.3	Very low	136 Å²	136	127.3 Å²	127.3	73%	0.727	64%	0.635	S	S	*	*	H	α-helix	trans	-81.4	-4.4	172.8	-88	-0.7	0	0	0	113.8	R647	R647-N649 VanDerWaalsContact C-N 3.35Å; R647-N649 PolarHBondContact O-N 3.31Å
650	I	27.6	Very low	34	Very low	138 Å²	138	130.3 Å²	130.3	71%	0.708	65%	0.651	S	S	*	*	H	α-helix	trans	-88.8	-22.5	172.7	-69.5	170.8	0	0	0	111.6	S646 R647 K648	S646-I650 WeakPolarHBondContact O-CD1 3.46Å; S646-I650 WeakPolarHBondContact O-CG1 3.36Å; R647-I650 PolarHBondContact O-N 3.3Å; K648-I650 VanDerWaalsContact C-N 3.27Å
651	E	30.1	Very low	31.3	Very low	139 Å²	139	129.7 Å²	129.7	65%	0.65	66%	0.659	S	S	*	*	H	α-helix	trans	-101.4	-16.7	-172.8	-75.9	175.9	176.9	0	0	115.3
652	N	27.5	Very low	29.9	Very low	140 Å²	140	134.3 Å²	134.3	75%	0.749	68%	0.675	S	S	*	*	S	Bend	trans	-120.7	20.2	-167.1	-84.9	25.1	0	0	0	116
653	S	25.4	Very low	28.5	Very low	82 Å²	82	136.8 Å²	136.8	57%	0.573	69%	0.689	S	S	*	*			trans	-110.9	90.9	163.7	63.7	0	0	0	0	109.7	I655	S653-I655 PolarHBondContact O-N 3.5Å
654	D	23.7	Very low	27.1	Very low	156 Å²	156	140.7 Å²	140.7	83%	0.834	70%	0.701	S	S	*	*			trans	-60.8	52.6	166.9	-73.1	-45.1	0	0	0	112	H656	D654-H656 VanDerWaalsContact C-N 3.32Å; D654-H656 PolarHBondContact O-N 3.46Å
655	I	21.7	Very low	26	Very low	135 Å²	135	140.7 Å²	140.7	69%	0.692	72%	0.717	S	S	*	*			trans	-91.6	87.4	166.8	-57.2	178.1	0	0	0	105.5	S653 F657	S653-I655 PolarHBondContact O-N 3.5Å; I655-F657 PolarHBondContact O-N 3.28Å
656	H	22.3	Very low	25.6	Very low	171 Å²	171	145.1 Å²	145.1	79%	0.792	73%	0.73	S	S	*	*			trans	-35.8	99.7	164.5	-113.2	-93.6	0	0	0	110.2	D654 S658	D654-H656 VanDerWaalsContact C-N 3.32Å; D654-H656 PolarHBondContact O-N 3.46Å; H656-S658 PolarHBondContact O-N 3.47Å
657	F	21.4	Very low	24.8	Very low	203 Å²	203	149.4 Å²	149.4	89%	0.89	75%	0.746	S	S	*	*			trans	-69.4	87.6	152.6	-80.3	-82.8	0	0	0	105.6	I655 Q659	I655-F657 PolarHBondContact O-N 3.28Å; F657-Q659 PolarHBondContact O-N 2.93Å
658	S	21.7	Very low	24.6	Very low	88 Å²	88	146.3 Å²	146.3	62%	0.615	75%	0.747	S	S	*	*			trans	-63.5	92	161.6	56.4	0	0	0	0	106.8	H656 L660	H656-S658 PolarHBondContact O-N 3.47Å; S658-L660 VanDerWaalsContact C-N 3.28Å; S658-L660 PolarHBondContact O-N 3.48Å
659	Q	22.5	Very low	24.2	Very low	169 Å²	169	147.1 Å²	147.1	79%	0.79	76%	0.757	S	S	*	*			trans	-2.9	79.8	143.8	-148.4	166.5	-9.6	0	0	112.3	F657 D661	F657-Q659 PolarHBondContact O-N 2.93Å; Q659-D661 VanDerWaalsContact C-N 3.35Å; Q659-D661 PolarHBondContact O-N 2.94Å
660	L	21.9	Very low	24.4	Very low	155 Å²	155	147.2 Å²	147.2	81%	0.812	76%	0.763	S	S	*	*			trans	-81.4	97.7	164.9	-90.8	158.2	0	0	0	104.7	S658 F662	S658-L660 VanDerWaalsContact C-N 3.28Å; S658-L660 PolarHBondContact O-N 3.48Å; L660-F662 PolarHBondContact O-N 3.46Å; L660-F662 VanDerWaalsContact O-N 3.13Å
661	D	22.1	Very low	24.2	Very low	129 Å²	129	148 Å²	148	69%	0.69	77%	0.769	S	S	*	*			trans	-47.1	114.5	176.1	-79.7	-43.2	0	0	0	110.1	Q659 D663	Q659-D661 VanDerWaalsContact C-N 3.35Å; Q659-D661 PolarHBondContact O-N 2.94Å; D661-D663 VanDerWaalsContact C-N 3.27Å; D661-D663 PolarHBondContact O-N 2.97Å
662	F	22.7	Very low	24.1	Very low	193 Å²	193	147.2 Å²	147.2	85%	0.846	78%	0.778	S	S	*	*			trans	-71.4	91.2	159.9	-76.7	-86.9	0	0	0	106.8	L660 K664	L660-F662 PolarHBondContact O-N 3.46Å; L660-F662 VanDerWaalsContact O-N 3.13Å; F662-K664 PolarHBondContact O-N 3.19Å
663	D	24	Very low	24	Very low	155 Å²	155	146.6 Å²	146.6	83%	0.829	78%	0.779	S	S	*	*			trans	-62.9	91.6	160.7	-87.7	-28.4	0	0	0	107.8	D661 P665	D661-D663 VanDerWaalsContact C-N 3.27Å; D661-D663 PolarHBondContact O-N 2.97Å; D663-P665 VanDerWaalsContact O-CD 3.23Å; D663-P665 WeakPolarHBondContact O-CD 3.46Å
664	K	23.4	Very low	24.1	Very low	182 Å²	182	149.9 Å²	149.9	79%	0.791	79%	0.79	S	S	*	*			trans	-66	113.8	169	-84	177.2	173.6	174.4	0	108	F662 Q666	F662-K664 PolarHBondContact O-N 3.19Å; K664-Q666 PolarHBondContact O-N 3.42Å
665	P	25.1	Very low	24.2	Very low	121 Å²	121	150.3 Å²	150.3	79%	0.786	79%	0.785	S	S	*	*			trans	-71.8	122.2	169.2	-6.4	24.7	0	0	0	107.5	D663 I667	D663-P665 VanDerWaalsContact O-CD 3.23Å; D663-P665 WeakPolarHBondContact O-CD 3.46Å; P665-I667 PolarHBondContact O-N 3.33Å
666	Q	25.3	Very low	24.3	Very low	173 Å²	173	151.8 Å²	151.8	81%	0.808	79%	0.789	S	S	*	*			trans	-66.3	121.8	176.1	-66.9	-167.3	-12.1	0	0	110.1	K664 T668	K664-Q666 PolarHBondContact O-N 3.42Å; Q666-T668 PolarHBondContact O-N 2.94Å
667	I	22.7	Very low	24.6	Very low	160 Å²	160	149.3 Å²	149.3	82%	0.821	79%	0.791	S	S	*	*			trans	-78.6	107.2	163.1	-62	169.9	0	0	0	106	P665	P665-I667 PolarHBondContact O-N 3.33Å
668	T	27.1	Very low	24.7	Very low	116 Å²	116	146.9 Å²	146.9	71%	0.712	79%	0.787	S	S	*	*			trans	-129.9	123.5	161.2	44.1	0	0	0	0	109	Q666	Q666-T668 PolarHBondContact O-N 2.94Å
669	D	23.6	Very low	24.9	Very low	148 Å²	148	149.6 Å²	149.6	79%	0.791	80%	0.795	S	S	*	*			trans	-58	130.7	180	-68.1	-56.3	0	0	0	112.9
670	V	30	Very low	25.1	Very low	139 Å²	139	148.7 Å²	148.7	84%	0.842	80%	0.795	S	S	*	*			trans	-144.7	116.4	144.8	-175.3	0	0	0	0	109.9
671	N	25	Very low	25.2	Very low	155 Å²	155	152.7 Å²	152.7	83%	0.829	80%	0.8	S	S	*	*			trans	-55.7	131.8	167.1	-67.3	-54.7	0	0	0	112.2
672	S	27.7	Very low	25.3	Very low	121 Å²	121	156.1 Å²	156.1	85%	0.846	81%	0.811	S	S	*	*				-173.4	137.8	128.8	43.8	0	0	0	0	112.8
673	V	25	Very low	25.4	Very low	128 Å²	128	156.6 Å²	156.6	78%	0.776	81%	0.813	S	S	*	*			trans	-61.6	133.5	-179.9	173.1	0	0	0	0	112.2
674	N	28.3	Very low	25.4	Very low	151 Å²	151	154.2 Å²	154.2	81%	0.807	81%	0.809	S	S	*	*			trans	-170.2	103.4	144.6	-86.5	-29.1	0	0	0	107.8
675	K	25.7	Very low	25.3	Very low	165 Å²	165	154.4 Å²	154.4	72%	0.717	81%	0.813	S	S	*	*				63.3	108.2	100.7	-83.8	-165.7	175.3	-169.9	0	115.4
676	E	23.3	Very low	25.3	Very low	165 Å²	165	156.8 Å²	156.8	77%	0.771	81%	0.813	S	S	*	*			trans	73.3	143.1	131.8	-71.2	172	163.4	0	0	121.3
677	S	27.7	Very low	25.2	Very low	120 Å²	120	156.7 Å²	156.7	84%	0.839	82%	0.817	S	S	*	*			trans	87.9	108.8	157.9	54.3	0	0	0	0	119.3
678	D	24.5	Very low	25.2	Very low	151 Å²	151	160.2 Å²	160.2	81%	0.807	82%	0.822	S	S	*	*			trans	-41.9	162.7	157.5	-71.5	-54.9	0	0	0	115.5
679	D	26.5	Very low	25.2	Very low	145 Å²	145	161.7 Å²	161.7	78%	0.775	83%	0.825	S	S	*	*			trans	95.1	118.2	160.3	-61.7	-28.2	0	0	0	118.7
680	N	25.7	Very low	25.5	Very low	151 Å²	151	159.3 Å²	159.3	81%	0.807	82%	0.821	S	S	*	*			trans	87.8	90.8	159.8	-54.8	-45.7	0	0	0	117.9
681	R	24.8	Very low	25.7	Very low	239 Å²	239	158 Å²	158	90%	0.902	81%	0.813	S	S	*	*				-166.7	116.6	121.6	-104.3	160.5	-172.7	-171.1	2.4	112.1	F683	R681-F683 PolarHBondContact O-N 3.48Å
682	Q	24.1	Very low	26.2	Very low	200 Å²	200	157.4 Å²	157.4	94%	0.935	81%	0.805	S	S	*	*			trans	-45.4	121.7	161.7	-70	161.9	-36.8	0	0	110.4
683	F	23.5	Very low	26.7	Very low	203 Å²	203	156.8 Å²	156.8	89%	0.89	79%	0.792	S	S	*	*			trans	-116.3	120	160.5	-112.4	-87.2	0	0	0	108.1	R681	R681-F683 PolarHBondContact O-N 3.48Å
684	S	23.8	Very low	27.3	Very low	106 Å²	106	156.4 Å²	156.4	74%	0.741	79%	0.785	S	S	*	*			trans	-60.3	134.1	-171.7	-134.1	0	0	0	0	112.6	H686	S684-H686 PolarHBondContact O-N 3.26Å
685	E	22.6	Very low	27.7	Very low	185 Å²	185	156.5 Å²	156.5	86%	0.864	78%	0.778	S	S	*	*			trans	-60	114.6	166.2	-66	165.2	138.5	0	0	110.7
686	H	24.1	Very low	28.6	Very low	171 Å²	171	155.3 Å²	155.3	79%	0.792	78%	0.775	S	S	*	*			trans	-151	74.2	160.8	-86.9	-61.8	0	0	0	108.7	S684	S684-H686 PolarHBondContact O-N 3.26Å
687	L	23.7	Very low	29.9	Very low	172 Å²	172	153.8 Å²	153.8	90%	0.901	77%	0.766	S	S	*	*			trans	-152.6	60.6	170	-126.3	114.9	0	0	0	111.2
688	Y	23.1	Very low	30.7	Very low	233 Å²	233	154.8 Å²	154.8	91%	0.914	75%	0.752	S	S	*	*			trans	-140.5	80.6	168.3	-106.7	-87.3	0	0	0	108.4
689	D	27.2	Very low	31.8	Very low	147 Å²	147	152.5 Å²	152.5	79%	0.786	74%	0.739	S	S	*	*			trans	-158.4	81.7	165.5	-120.9	-12.9	0	0	0	111.2
690	S	29.3	Very low	33.7	Very low	99 Å²	99	150.5 Å²	150.5	69%	0.692	73%	0.725	S	S	*	*			trans	-146.5	16.8	168.6	75	0	0	0	0	114.5
691	T	33.8	Very low	35	Very low	111 Å²	111	150 Å²	150	68%	0.681	71%	0.712	S	S	*	*	S	Bend	trans	-95.2	-23.7	-179.6	43.9	0	0	0	0	114.5	K695	T691-K695 PolarHBondContact O-N 2.91Å
692	E	36	Very low	36.6	Very low	142 Å²	142	145.5 Å²	145.5	66%	0.664	70%	0.695	S	S	*	*	H	α-helix	trans	-70.2	-39.3	-177.4	-85.8	-168.1	147.1	0	0	113.7	N694 K695 E696	E692-N694 PolarHBondContact O-N 2.91Å; E692-K695 PolarHBondContact O-N 3.48Å; E692-E696 PolarHBondContact O-N 3.27Å
693	I	37.9	Very low	38	Very low	109 Å²	109	145.4 Å²	145.4	56%	0.559	69%	0.687	S	S	*	*	H	α-helix	trans	-63.7	-30.9	-177.4	-61.1	173.7	0	0	0	111.9	K697	I693-K697 HydrophobicContact CG2-CD 4.38Å; I693-K697 WeakPolarHBondContact O-CB 3.41Å; I693-K697 WeakPolarHBondContact O-CG 3.46Å; I693-K697 PolarHBondContact O-N 3.48Å
694	N	36.9	Very low	40.3	Very low	120 Å²	120	140.8 Å²	140.8	64%	0.642	67%	0.666	S	S	*	*	H	α-helix	trans	-76.1	-32.5	176	-88.7	-19.6	0	0	0	112.6	E692 Y698	E692-N694 PolarHBondContact O-N 2.91Å; N694-Y698 WeakPolarHBondContact O-CB 3.41Å; N694-Y698 PolarHBondContact O-N 3.16Å; N694-Y698 VanDerWaalsContact O-N 3.12Å
695	K	37.2	Very low	42.2	Very low	153 Å²	153	139.1 Å²	139.1	67%	0.665	65%	0.649	S	S	*	*	H	α-helix	trans	-71.8	-43	178.7	-147.9	177.9	-174.3	-178.5	0	110.8	T691 E692 Y698 L699	T691-K695 PolarHBondContact O-N 2.91Å; E692-K695 PolarHBondContact O-N 3.48Å; K695-Y698 PolarHBondContact O-N 2.97Å; K695-L699 WeakPolarHBondContact O-CG 3.46Å; K695-L699 PolarHBondContact O-N 2.93Å
696	E	45.2	Very low	43.9	Very low	139 Å²	139	134.6 Å²	134.6	65%	0.65	63%	0.63	S	S	*	*	H	α-helix	trans	-63.6	-46.2	175	-75.3	-165.4	141.2	0	0	112.2	E692 Y698 L699 E700	E692-E696 PolarHBondContact O-N 3.27Å; E696-Y698 VanDerWaalsContact C-N 3.27Å; E696-Y698 PolarHBondContact O-N 3.47Å; E696-L699 PolarHBondContact O-N 3.38Å; E696-L699 VanDerWaalsContact O-N 3.17Å; E696-E700 WeakPolarHBondContact O-CB 3.28Å; E696-E700 PolarHBondContact O-N 3.37Å
697	K	49.5	Very low	46	Very low	133 Å²	133	129.9 Å²	129.9	58%	0.578	61%	0.613	S	S	*	*	H	α-helix	trans	-59.9	-37.2	176.6	-79.5	178.7	-179.9	173.5	0	112.7	I693 R701	I693-K697 HydrophobicContact CG2-CD 4.38Å; I693-K697 WeakPolarHBondContact O-CB 3.41Å; I693-K697 WeakPolarHBondContact O-CG 3.46Å; I693-K697 PolarHBondContact O-N 3.48Å; K697-R701 WeakPolarHBondContact O-CB 3.36Å; K697-R701 PolarHBondContact O-N 2.85Å
698	Y	44.8	Very low	48.2	Very low	142 Å²	142	124.4 Å²	124.4	56%	0.557	58%	0.58	S	S	*	*	H	α-helix	trans	-66.8	-47.2	174.7	174.7	-94.7	0	0	0	111.8	N694 K695 E696 E700 R701 R702	N694-Y698 WeakPolarHBondContact O-CB 3.41Å; N694-Y698 PolarHBondContact O-N 3.16Å; N694-Y698 VanDerWaalsContact O-N 3.12Å; K695-Y698 PolarHBondContact O-N 2.97Å; E696-Y698 VanDerWaalsContact C-N 3.27Å; E696-Y698 PolarHBondContact O-N 3.47Å; Y698-E700 VanDerWaalsContact C-N 3.32Å; Y698-E700 PolarHBondContact O-N 2.89Å; Y698-R701 WeakPolarHBondContact O-CB 3.33Å; Y698-R701 PolarHBondContact O-N 2.71Å; Y698-R702 PolarHBondContact O-N 3.49Å
699	L	47.7	Very low	50.1	Low	102 Å²	102	120.6 Å²	120.6	53%	0.534	56%	0.564	S	S	.	*	H	α-helix	trans	-62	-41.1	178.4	-72.5	171.1	0	0	0	111.5	K695 E696 R702 R703	K695-L699 WeakPolarHBondContact O-CG 3.46Å; K695-L699 PolarHBondContact O-N 2.93Å; E696-L699 PolarHBondContact O-N 3.38Å; E696-L699 VanDerWaalsContact O-N 3.17Å; L699-R702 PolarHBondContact O-N 3.3Å; L699-R703 PolarHBondContact O-N 2.96Å
700	E	66	Low	51.4	Low	103 Å²	103	122.4 Å²	122.4	48%	0.481	56%	0.56	S	S	.	*	H	α-helix	trans	-66.2	-40.6	177.4	-152.1	-164.2	157.7	0	0	111.8	E696 Y698 R703 K704	E696-E700 WeakPolarHBondContact O-CB 3.28Å; E696-E700 PolarHBondContact O-N 3.37Å; Y698-E700 VanDerWaalsContact C-N 3.32Å; Y698-E700 PolarHBondContact O-N 2.89Å; E700-R703 PolarHBondContact O-N 3.46Å; E700-K704 WeakPolarHBondContact O-CG 3.39Å; E700-K704 PolarHBondContact O-N 2.9Å; E700-K704 VanDerWaalsContact OE1-CE 3.27Å; E700-K704 WeakPolarHBondContact OE1-CE 3.46Å; E700-K704 IonicContact OE1-NZ 2.82Å; E700-K704 PolarHBondContact OE1-NZ 2.82Å
701	R	54.8	Low	53.2	Low	140 Å²	140	125.1 Å²	125.1	53%	0.528	56%	0.555	S	S	.	*	H	α-helix	trans	-59	-46.8	171.2	-106.6	-178.3	175.2	168.1	1.8	111.5	K697 Y698 R703 K704 L705 H734	K697-R701 WeakPolarHBondContact O-CB 3.36Å; K697-R701 PolarHBondContact O-N 2.85Å; Y698-R701 WeakPolarHBondContact O-CB 3.33Å; Y698-R701 PolarHBondContact O-N 2.71Å; R701-R703 VanDerWaalsContact C-N 3.35Å; R701-R703 PolarHBondContact O-N 3.42Å; R701-K704 PolarHBondContact O-N 3Å; R701-L705 WeakPolarHBondContact O-CB 3.42Å; R701-L705 PolarHBondContact O-N 2.83Å; R701-H734 PolarHBondContact NH2-O 2.76Å
702	R	57.7	Low	54.4	Low	146 Å²	146	121.3 Å²	121.3	55%	0.551	53%	0.531	S	S	*	.	H	α-helix	trans	-63.4	-40.2	179.4	-174.2	170.4	174.2	151.8	-5.5	111.6	Y698 L699 L705 L706	Y698-R702 PolarHBondContact O-N 3.49Å; L699-R702 PolarHBondContact O-N 3.3Å; R702-L705 PolarHBondContact O-N 3.05Å; R702-L706 HydrophobicContact CG-CD1 4.27Å; R702-L706 WeakPolarHBondContact O-CG 3.05Å; R702-L706 PolarHBondContact O-N 2.85Å; R702-L706 VanDerWaalsContact O-N 3.09Å
703	R	54.3	Low	55.4	Low	198 Å²	198	123.9 Å²	123.9	75%	0.747	53%	0.534	S	S	*	.	H	α-helix	trans	-62.5	-49.9	175.4	-135.4	177.1	-167	-177.4	3.8	111	L699 E700 R701 L705 L706 T707	L699-R703 PolarHBondContact O-N 2.96Å; E700-R703 PolarHBondContact O-N 3.46Å; R701-R703 VanDerWaalsContact C-N 3.35Å; R701-R703 PolarHBondContact O-N 3.42Å; R703-L705 VanDerWaalsContact C-N 3.32Å; R703-L705 PolarHBondContact O-N 3.34Å; R703-L706 PolarHBondContact O-N 2.87Å; R703-T707 PolarHBondContact O-N 2.83Å; R703-T707 PolarHBondContact O-OG1 2.83Å
704	K	71.3	Confident	56.6	Low	105 Å²	105	126.9 Å²	126.9	46%	0.457	55%	0.546	S	S	.	.	H	α-helix	trans	-60	-39.7	178.2	-74.3	175.4	-175.3	163.5	0	112.2	E700 R701 R708	E700-K704 WeakPolarHBondContact O-CG 3.39Å; E700-K704 PolarHBondContact O-N 2.9Å; E700-K704 VanDerWaalsContact OE1-CE 3.27Å; E700-K704 WeakPolarHBondContact OE1-CE 3.46Å; E700-K704 IonicContact OE1-NZ 2.82Å; E700-K704 PolarHBondContact OE1-NZ 2.82Å; R701-K704 PolarHBondContact O-N 3Å; K704-R708 VanDerWaalsContact O-CG 3.28Å; K704-R708 WeakPolarHBondContact O-CG 3.45Å; K704-R708 PolarHBondContact O-N 3.36Å; K704-R708 VanDerWaalsContact O-N 3.14Å
705	L	64	Low	57.4	Low	72 Å²	72	123.8 Å²	123.8	38%	0.377	53%	0.529	S	S	.	.	H	α-helix	trans	-65.7	-42.5	178.2	-160.4	109.4	0	0	0	112.4	R701 R702 R703 R708 R709	R701-L705 WeakPolarHBondContact O-CB 3.42Å; R701-L705 PolarHBondContact O-N 2.83Å; R702-L705 PolarHBondContact O-N 3.05Å; R703-L705 VanDerWaalsContact C-N 3.32Å; R703-L705 PolarHBondContact O-N 3.34Å; L705-R708 PolarHBondContact O-N 2.86Å; L705-R709 PolarHBondContact O-N 2.74Å; L705-R709 VanDerWaalsContact O-N 3.1Å
706	L	57.7	Low	58.8	Low	90 Å²	90	122.3 Å²	122.3	47%	0.471	53%	0.528	S	S	.	.	H	α-helix	trans	-65.9	-42.4	177.4	-72.9	169.1	0	0	0	112	R702 R703 R708 R709 R710	R702-L706 HydrophobicContact CG-CD1 4.27Å; R702-L706 WeakPolarHBondContact O-CG 3.05Å; R702-L706 PolarHBondContact O-N 2.85Å; R702-L706 VanDerWaalsContact O-N 3.09Å; R703-L706 PolarHBondContact O-N 2.87Å; L706-R708 VanDerWaalsContact C-N 3.33Å; L706-R708 PolarHBondContact O-N 2.78Å; L706-R709 PolarHBondContact O-N 2.9Å; L706-R710 PolarHBondContact O-N 3.21Å
707	T	68.3	Low	59	Low	72 Å²	72	119.9 Å²	119.9	44%	0.442	53%	0.525	S	S	.	.	H	α-helix	trans	-62.5	-40.1	177.4	-47.2	0	0	0	0	111.6	R703 R710 R711	R703-T707 PolarHBondContact O-N 2.83Å; R703-T707 PolarHBondContact O-OG1 2.83Å; T707-R710 PolarHBondContact O-N 3.23Å; T707-R711 PolarHBondContact O-N 2.83Å; T707-R711 VanDerWaalsContact O-N 3.1Å
708	R	68.8	Low	59.1	Low	56 Å²	56	118.5 Å²	118.5	21%	0.211	53%	0.53	C	S	.	.	H	α-helix	trans	-66.1	-41.6	176.4	-70.7	170.1	-179.3	176.1	2.3	112.4	K704 L705 L706 R710 R711 L712 Y727 D731	K704-R708 VanDerWaalsContact O-CG 3.28Å; K704-R708 WeakPolarHBondContact O-CG 3.45Å; K704-R708 PolarHBondContact O-N 3.36Å; K704-R708 VanDerWaalsContact O-N 3.14Å; L705-R708 PolarHBondContact O-N 2.86Å; L706-R708 VanDerWaalsContact C-N 3.33Å; L706-R708 PolarHBondContact O-N 2.78Å; R708-R710 VanDerWaalsContact C-N 3.35Å; R708-R710 PolarHBondContact O-N 2.82Å; R708-R711 PolarHBondContact O-N 2.79Å; R708-L712 WeakPolarHBondContact O-CG 3.43Å; R708-L712 PolarHBondContact O-N 2.85Å; R708-Y727 HydrophobicContact CB-CD1 4.32Å; R708-Y727 HydrophobicContact CB-CD2 4.41Å; R708-Y727 HydrophobicContact CB-CE1 4.31Å; R708-Y727 HydrophobicContact CB-CE2 4.41Å; R708-Y727 HydrophobicContact CB-CG 4.38Å; R708-Y727 HydrophobicContact CG-CD1 3.84Å; R708-Y727 HydrophobicContact CG-CE1 3.69Å; R708-Y727 HydrophobicContact CG-CG 4.39Å; R708-D731 IonicContact CZ-OD1 3.41Å; R708-D731 IonicContact NH1-OD1 2.67Å; R708-D731 PolarHBondContact NH1-OD1 3.01Å; R708-D731 IonicContact NH1-OD2 3.49Å
709	R	63.8	Low	59.7	Low	154 Å²	154	115.2 Å²	115.2	58%	0.581	52%	0.522	S	S	*	.	H	α-helix	trans	-62.9	-38.1	174.7	-79.7	-174	172.2	-169.9	-2.1	112.6	L705 L706 L712 R713	L705-R709 PolarHBondContact O-N 2.74Å; L705-R709 VanDerWaalsContact O-N 3.1Å; L706-R709 PolarHBondContact O-N 2.9Å; R709-L712 PolarHBondContact O-N 3.27Å; R709-R713 PolarHBondContact O-N 2.91Å
710	R	55.3	Low	60	Low	184 Å²	184	114 Å²	114	69%	0.694	51%	0.514	S	S	*	.	H	α-helix	trans	-64.6	-44.1	174.9	-74.1	-177.4	-177.9	-179.7	-0.1	111.6	L706 T707 R708 L712 R713	L706-R710 PolarHBondContact O-N 3.21Å; T707-R710 PolarHBondContact O-N 3.23Å; R708-R710 VanDerWaalsContact C-N 3.35Å; R708-R710 PolarHBondContact O-N 2.82Å; R710-L712 VanDerWaalsContact C-N 3.33Å; R710-L712 PolarHBondContact O-N 2.88Å; R710-R713 PolarHBondContact O-N 2.75Å
711	R	66.5	Low	59.4	Low	157 Å²	157	113.4 Å²	113.4	59%	0.592	52%	0.52	S	S	*	.	H	α-helix	trans	-62.2	-37.5	175.7	-73.7	-175.2	178.1	178.4	-0.6	112.8	T707 R708 R713 Q714	T707-R711 PolarHBondContact O-N 2.83Å; T707-R711 VanDerWaalsContact O-N 3.1Å; R708-R711 PolarHBondContact O-N 2.79Å; R711-R713 PolarHBondContact O-N 3.02Å; R711-Q714 PolarHBondContact O-N 2.82Å
712	L	59.7	Low	59.7	Low	31 Å²	31	112.2 Å²	112.2	16%	0.162	52%	0.523	C	S	.	.	H	α-helix	trans	-62.4	-39.8	175.3	-76.3	167.2	0	0	0	112.2	R708 R709 R710 Q714 L715 Q720 F723 Y727	R708-L712 WeakPolarHBondContact O-CG 3.43Å; R708-L712 PolarHBondContact O-N 2.85Å; R709-L712 PolarHBondContact O-N 3.27Å; R710-L712 VanDerWaalsContact C-N 3.33Å; R710-L712 PolarHBondContact O-N 2.88Å; L712-Q714 PolarHBondContact O-N 2.83Å; L712-L715 PolarHBondContact O-N 2.8Å; L712-L715 VanDerWaalsContact O-N 3.1Å; L712-Q720 HydrophobicContact CB-CG 4.44Å; L712-Q720 HydrophobicContact CD2-CG 4.49Å; L712-Q720 WeakPolarHBondContact O-CG 2.99Å; L712-Q720 PolarHBondContact O-NE2 2.75Å; L712-F723 HydrophobicContact CD2-CB 3.73Å; L712-Y727 HydrophobicContact CD1-CD2 3.94Å; L712-Y727 HydrophobicContact CD1-CE2 4.37Å; L712-Y727 HydrophobicContact CD2-CD2 4.13Å; L712-Y727 HydrophobicContact CD2-CE2 4.08Å; L712-Y727 HydrophobicContact CG-CD2 4.06Å; L712-Y727 HydrophobicContact CG-CE2 4Å
713	R	55.3	Low	60.1	Low	195 Å²	195	109 Å²	109	74%	0.736	51%	0.513	S	S	*	.	H	α-helix	trans	-64.3	-23.5	179.8	-68.2	-175.5	-153.4	176.2	2.9	114.1	R709 R710 R711	R709-R713 PolarHBondContact O-N 2.91Å; R710-R713 PolarHBondContact O-N 2.75Å; R711-R713 PolarHBondContact O-N 3.02Å
714	Q	63.7	Low	60.5	Low	173 Å²	173	100.8 Å²	100.8	81%	0.808	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-6.4	178.2	-67	-177	-21.2	0	0	113.3	R711 L712	R711-Q714 PolarHBondContact O-N 2.82Å; L712-Q714 PolarHBondContact O-N 2.83Å
715	L	54	Low	60.1	Low	55 Å²	55	99.6 Å²	99.6	29%	0.288	49%	0.491	S	S	.	.	S	Bend	trans	-95.1	147.4	-179.5	-70.9	165.6	0	0	0	111.4	L712 L719 Q720 F723	L712-L715 PolarHBondContact O-N 2.8Å; L712-L715 VanDerWaalsContact O-N 3.1Å; L715-L719 HydrophobicContact CB-CB 4.06Å; L715-L719 HydrophobicContact CD2-CB 4.28Å; L715-L719 HydrophobicContact CD2-CD1 4.11Å; L715-Q720 HydrophobicContact CB-CG 4.29Å; L715-F723 HydrophobicContact CD1-CB 4.28Å; L715-F723 HydrophobicContact CD1-CD2 3.72Å; L715-F723 HydrophobicContact CD1-CE2 4.34Å; L715-F723 HydrophobicContact CD1-CG 4.15Å
716	N	66.3	Low	60.3	Low	121 Å²	121	102.3 Å²	102.3	65%	0.647	50%	0.498	S	S	*	.			trans	-57	148.3	172.2	-130.7	-41.2	0	0	0	110.4	C718 L719 Q720	N716-C718 VanDerWaalsContact C-N 3.27Å; N716-C718 PolarHBondContact O-N 3.22Å; N716-C718 VanDerWaalsContact O-N 3.11Å; N716-L719 HydrophobicContact CB-CD1 4.44Å; N716-L719 WeakPolarHBondContact O-CA 3.34Å; N716-L719 WeakPolarHBondContact O-CB 3.42Å; N716-L719 PolarHBondContact O-N 3.43Å; N716-Q720 PolarHBondContact O-N 3.11Å
717	P	50.7	Low	60.7	Low	89 Å²	89	99.8 Å²	99.8	58%	0.578	48%	0.482	S	S	*	.	H	α-helix	trans	-55.3	-36.1	-171	-27.7	36.4	0	0	0	114.6	L719 Q720 C721	P717-L719 PolarHBondContact O-N 3.33Å; P717-Q720 WeakPolarHBondContact O-CB 3.42Å; P717-Q720 PolarHBondContact O-N 2.89Å; P717-C721 PolarHBondContact O-N 3.29Å
718	C	50.7	Low	59.9	Low	103 Å²	103	105.9 Å²	105.9	70%	0.696	50%	0.497	S	S	*	.	H	α-helix	trans	-64.1	-39.4	175.8	-61.7	0	0	0	0	112.2	N716 C721 I722	N716-C718 VanDerWaalsContact C-N 3.27Å; N716-C718 PolarHBondContact O-N 3.22Å; N716-C718 VanDerWaalsContact O-N 3.11Å; C718-C721 PolarHBondContact O-N 3.39Å; C718-I722 PolarHBondContact O-N 3.08Å
719	L	57.4	Low	59.2	Low	74 Å²	74	108 Å²	108	39%	0.387	51%	0.512	S	S	.	.	H	α-helix	trans	-74.5	-33.5	177	-70.3	168.4	0	0	0	111.7	L715 N716 P717 C721 I722 F723	L715-L719 HydrophobicContact CB-CB 4.06Å; L715-L719 HydrophobicContact CD2-CB 4.28Å; L715-L719 HydrophobicContact CD2-CD1 4.11Å; N716-L719 HydrophobicContact CB-CD1 4.44Å; N716-L719 WeakPolarHBondContact O-CA 3.34Å; N716-L719 WeakPolarHBondContact O-CB 3.42Å; N716-L719 PolarHBondContact O-N 3.43Å; P717-L719 PolarHBondContact O-N 3.33Å; L719-C721 PolarHBondContact O-N 2.78Å; L719-I722 PolarHBondContact O-N 3.01Å; L719-F723 HydrophobicContact CB-CD2 4.25Å; L719-F723 HydrophobicContact CD2-CD2 4.47Å; L719-F723 HydrophobicContact CD2-CE2 4.1Å; L719-F723 WeakPolarHBondContact O-CB 3.4Å; L719-F723 WeakPolarHBondContact O-CD2 3.31Å; L719-F723 PolarHBondContact O-N 2.9Å
720	Q	53.4	Low	58.8	Low	76 Å²	76	101.9 Å²	101.9	36%	0.355	49%	0.491	S	S	.	.	H	α-helix	trans	-55.3	-39.9	172.1	-90	-178.2	-0.7	0	0	112	L712 L715 N716 P717 G724	L712-Q720 HydrophobicContact CB-CG 4.44Å; L712-Q720 HydrophobicContact CD2-CG 4.49Å; L712-Q720 WeakPolarHBondContact O-CG 2.99Å; L712-Q720 PolarHBondContact O-NE2 2.75Å; L715-Q720 HydrophobicContact CB-CG 4.29Å; N716-Q720 PolarHBondContact O-N 3.11Å; P717-Q720 WeakPolarHBondContact O-CB 3.42Å; P717-Q720 PolarHBondContact O-N 2.89Å; Q720-G724 VanDerWaalsContact O-CA 3.28Å; Q720-G724 WeakPolarHBondContact O-CA 3.33Å; Q720-G724 PolarHBondContact O-N 3.41Å
721	C	53.9	Low	58.6	Low	90 Å²	90	96.2 Å²	96.2	61%	0.608	48%	0.475	S	S	*	.	H	α-helix	trans	-67.8	-47.8	179.8	-145.8	0	0	0	0	111.3	P717 C718 L719 G724 T725	P717-C721 PolarHBondContact O-N 3.29Å; C718-C721 PolarHBondContact O-N 3.39Å; L719-C721 PolarHBondContact O-N 2.78Å; C721-G724 PolarHBondContact O-N 2.91Å; C721-T725 WeakPolarHBondContact O-CB 3.42Å; C721-T725 PolarHBondContact O-N 3.08Å; C721-T725 PolarHBondContact O-OG1 3.41Å
722	I	60.5	Low	57.3	Low	115 Å²	115	96.1 Å²	96.1	59%	0.59	48%	0.479	S	S	*	.	H	α-helix	trans	-63	-52.9	179.8	-62.8	170.3	0	0	0	111	C718 L719 T725 Y726	C718-I722 PolarHBondContact O-N 3.08Å; L719-I722 PolarHBondContact O-N 3.01Å; I722-T725 PolarHBondContact O-N 3.41Å; I722-Y726 PolarHBondContact O-N 2.91Å
723	F	65.9	Low	56.4	Low	79 Å²	79	98.2 Å²	98.2	35%	0.346	49%	0.493	S	S	.	.	H	α-helix	trans	-70.6	-33.4	-179.3	-78.4	-72.5	0	0	0	112.4	L712 L715 L719 T725 Y726 Y727	L712-F723 HydrophobicContact CD2-CB 3.73Å; L715-F723 HydrophobicContact CD1-CB 4.28Å; L715-F723 HydrophobicContact CD1-CD2 3.72Å; L715-F723 HydrophobicContact CD1-CE2 4.34Å; L715-F723 HydrophobicContact CD1-CG 4.15Å; L719-F723 HydrophobicContact CB-CD2 4.25Å; L719-F723 HydrophobicContact CD2-CD2 4.47Å; L719-F723 HydrophobicContact CD2-CE2 4.1Å; L719-F723 WeakPolarHBondContact O-CB 3.4Å; L719-F723 WeakPolarHBondContact O-CD2 3.31Å; L719-F723 PolarHBondContact O-N 2.9Å; F723-T725 VanDerWaalsContact C-N 3.31Å; F723-T725 PolarHBondContact O-N 3.42Å; F723-Y726 PolarHBondContact O-N 3.35Å; F723-Y727 HydrophobicContact CB-CD2 4.41Å; F723-Y727 HydrophobicContact CB-CE2 4.06Å; F723-Y727 WeakPolarHBondContact O-CD2 3.31Å; F723-Y727 PolarHBondContact O-N 2.96Å
724	G	64.2	Low	55.7	Low	25 Å²	25	95 Å²	95	26%	0.258	49%	0.486	S	S	.	.	H	α-helix	trans	-60.8	-42.9	174.2	0	0	0	0	0	111.6	Q720 C721 Y727 R728	Q720-G724 VanDerWaalsContact O-CA 3.28Å; Q720-G724 WeakPolarHBondContact O-CA 3.33Å; Q720-G724 PolarHBondContact O-N 3.41Å; C721-G724 PolarHBondContact O-N 2.91Å; G724-Y727 PolarHBondContact O-N 3.46Å; G724-R728 PolarHBondContact O-N 3.46Å; G724-R728 VanDerWaalsContact O-N 3.09Å
725	T	63.1	Low	54.2	Low	80 Å²	80	89.4 Å²	89.4	49%	0.491	47%	0.466	S	S	.	.	H	α-helix	trans	-66.6	-44	176.1	-43.9	0	0	0	0	111.3	C721 I722 F723 Y727 R728 I729	C721-T725 WeakPolarHBondContact O-CB 3.42Å; C721-T725 PolarHBondContact O-N 3.08Å; C721-T725 PolarHBondContact O-OG1 3.41Å; I722-T725 PolarHBondContact O-N 3.41Å; F723-T725 VanDerWaalsContact C-N 3.31Å; F723-T725 PolarHBondContact O-N 3.42Å; T725-Y727 PolarHBondContact O-N 3.25Å; T725-R728 WeakPolarHBondContact O-CB 2.91Å; T725-R728 PolarHBondContact O-N 3.05Å; T725-I729 WeakPolarHBondContact O-CG1 3.43Å; T725-I729 PolarHBondContact O-N 3.27Å; T725-I729 VanDerWaalsContact O-N 3.08Å
726	Y	67.1	Low	52.8	Low	130 Å²	130	90.5 Å²	90.5	51%	0.51	48%	0.478	S	S	.	.	H	α-helix	trans	-56.4	-49	173.6	173	-100.3	0	0	0	112.5	I722 F723 R728 I729 V730	I722-Y726 PolarHBondContact O-N 2.91Å; F723-Y726 PolarHBondContact O-N 3.35Å; Y726-R728 VanDerWaalsContact C-N 3.26Å; Y726-R728 PolarHBondContact O-N 3.45Å; Y726-I729 PolarHBondContact O-N 3.04Å; Y726-I729 VanDerWaalsContact O-N 3.15Å; Y726-V730 HydrophobicContact CD1-CG2 4.25Å; Y726-V730 HydrophobicContact CD2-CG2 4.41Å; Y726-V730 HydrophobicContact CE1-CG2 3.84Å; Y726-V730 HydrophobicContact CE2-CG2 4Å; Y726-V730 WeakPolarHBondContact O-CG2 3.46Å; Y726-V730 PolarHBondContact O-N 3.26Å
727	Y	65.2	Low	50.9	Low	36 Å²	36	93 Å²	93	14%	0.141	49%	0.486	C	S	.	.	H	α-helix	trans	-63.3	-34.2	178.9	-70.1	-52.3	0	0	0	112.3	R708 L712 F723 G724 T725 V730 D731	R708-Y727 HydrophobicContact CB-CD1 4.32Å; R708-Y727 HydrophobicContact CB-CD2 4.41Å; R708-Y727 HydrophobicContact CB-CE1 4.31Å; R708-Y727 HydrophobicContact CB-CE2 4.41Å; R708-Y727 HydrophobicContact CB-CG 4.38Å; R708-Y727 HydrophobicContact CG-CD1 3.84Å; R708-Y727 HydrophobicContact CG-CE1 3.69Å; R708-Y727 HydrophobicContact CG-CG 4.39Å; L712-Y727 HydrophobicContact CD1-CD2 3.94Å; L712-Y727 HydrophobicContact CD1-CE2 4.37Å; L712-Y727 HydrophobicContact CD2-CD2 4.13Å; L712-Y727 HydrophobicContact CD2-CE2 4.08Å; L712-Y727 HydrophobicContact CG-CD2 4.06Å; L712-Y727 HydrophobicContact CG-CE2 4Å; F723-Y727 HydrophobicContact CB-CD2 4.41Å; F723-Y727 HydrophobicContact CB-CE2 4.06Å; F723-Y727 WeakPolarHBondContact O-CD2 3.31Å; F723-Y727 PolarHBondContact O-N 2.96Å; G724-Y727 PolarHBondContact O-N 3.46Å; T725-Y727 PolarHBondContact O-N 3.25Å; Y727-V730 PolarHBondContact O-N 2.98Å; Y727-D731 WeakPolarHBondContact O-CB 3.46Å; Y727-D731 PolarHBondContact O-N 2.86Å
728	R	53.5	Low	49.6	Very low	200 Å²	200	92.9 Å²	92.9	76%	0.755	48%	0.484	S	S	*	.	H	α-helix	trans	-65.4	-38.7	175.4	-150.2	177.5	-172	176.2	1.5	112	G724 T725 Y726 F732	G724-R728 PolarHBondContact O-N 3.46Å; G724-R728 VanDerWaalsContact O-N 3.09Å; T725-R728 WeakPolarHBondContact O-CB 2.91Å; T725-R728 PolarHBondContact O-N 3.05Å; Y726-R728 VanDerWaalsContact C-N 3.26Å; Y726-R728 PolarHBondContact O-N 3.45Å; R728-F732 PolarHBondContact O-N 3.4Å; R728-F732 VanDerWaalsContact O-N 3.07Å
729	I	52.3	Low	48.4	Very low	102 Å²	102	94 Å²	94	52%	0.523	49%	0.488	S	S	.	.	H	α-helix	trans	-69.6	-41.6	175.6	-64.6	166.8	0	0	0	111.1	T725 Y726 D731 F732 T733	T725-I729 WeakPolarHBondContact O-CG1 3.43Å; T725-I729 PolarHBondContact O-N 3.27Å; T725-I729 VanDerWaalsContact O-N 3.08Å; Y726-I729 PolarHBondContact O-N 3.04Å; Y726-I729 VanDerWaalsContact O-N 3.15Å; I729-D731 VanDerWaalsContact C-N 3.32Å; I729-D731 PolarHBondContact O-N 2.91Å; I729-F732 PolarHBondContact O-N 2Å; I729-T733 PolarHBondContact O-N 2.9Å; I729-T733 PolarHBondContact O-OG1 2.87Å
730	V	56.2	Low	46.7	Very low	25 Å²	25	98.7 Å²	98.7	15%	0.152	51%	0.513	C	S	.	.	H	α-helix	trans	-61.9	-40.7	175.6	172.9	0	0	0	0	111.1	Y726 Y727 F732 T733 H734	Y726-V730 HydrophobicContact CD1-CG2 4.25Å; Y726-V730 HydrophobicContact CD2-CG2 4.41Å; Y726-V730 HydrophobicContact CE1-CG2 3.84Å; Y726-V730 HydrophobicContact CE2-CG2 4Å; Y726-V730 WeakPolarHBondContact O-CG2 3.46Å; Y726-V730 PolarHBondContact O-N 3.26Å; Y727-V730 PolarHBondContact O-N 2.98Å; V730-F732 VanDerWaalsContact C-N 3.33Å; V730-T733 WeakPolarHBondContact CA-OG1 3.37Å; V730-T733 PolarHBondContact O-N 2.88Å; V730-T733 PolarHBondContact O-OG1 2.84Å; V730-T733 VanDerWaalsContact O-OG1 3.08Å; V730-H734 PolarHBondContact O-N 2.85Å; V730-H734 VanDerWaalsContact O-N 3.09Å
731	D	50.1	Low	45.2	Very low	64 Å²	64	102.4 Å²	102.4	34%	0.342	53%	0.53	S	S	.	.	H	α-helix	trans	-69	-32.3	176.8	-74.6	-22.2	0	0	0	112.3	R708 Y727 I729 S735	R708-D731 IonicContact CZ-OD1 3.41Å; R708-D731 IonicContact NH1-OD1 2.67Å; R708-D731 PolarHBondContact NH1-OD1 3.01Å; R708-D731 IonicContact NH1-OD2 3.49Å; Y727-D731 WeakPolarHBondContact O-CB 3.46Å; Y727-D731 PolarHBondContact O-N 2.86Å; I729-D731 VanDerWaalsContact C-N 3.32Å; I729-D731 PolarHBondContact O-N 2.91Å; D731-S735 PolarHBondContact O-N 2.8Å
732	F	39.6	Very low	43.6	Very low	156 Å²	156	104 Å²	104	68%	0.684	54%	0.542	S	S	*	.	H	α-helix	trans	-71.8	-38.6	175.6	-142.8	-88.3	0	0	0	112.7	R728 I729 V730 S735 S736	R728-F732 PolarHBondContact O-N 3.4Å; R728-F732 VanDerWaalsContact O-N 3.07Å; I729-F732 PolarHBondContact O-N 2Å; V730-F732 VanDerWaalsContact C-N 3.33Å; F732-S735 PolarHBondContact O-N 3.39Å; F732-S735 PolarHBondContact O-OG 2.64Å; F732-S736 PolarHBondContact O-N 3.47Å
733	T	41.1	Very low	41.8	Very low	75 Å²	75	106.2 Å²	106.2	46%	0.46	55%	0.55	S	S	.	.	H	α-helix	trans	-74.1	-28.9	178	48	0	0	0	0	112.8	I729 V730 S736	I729-T733 PolarHBondContact O-N 2.9Å; I729-T733 PolarHBondContact O-OG1 2.87Å; V730-T733 WeakPolarHBondContact CA-OG1 3.37Å; V730-T733 PolarHBondContact O-N 2.88Å; V730-T733 PolarHBondContact O-OG1 2.84Å; V730-T733 VanDerWaalsContact O-OG1 3.08Å; T733-S736 PolarHBondContact O-OG 3.49Å
734	H	41.8	Very low	39.7	Very low	127 Å²	127	107.2 Å²	107.2	59%	0.588	57%	0.567	S	S	*	*	H	α-helix	trans	-80.3	-12.6	171.4	-95.2	-66.6	0	0	0	114.3	R701 V730	R701-H734 PolarHBondContact NH2-O 2.76Å; V730-H734 PolarHBondContact O-N 2.85Å; V730-H734 VanDerWaalsContact O-N 3.09Å
735	S	30.4	Very low	37.7	Very low	55 Å²	55	112.8 Å²	112.8	39%	0.385	60%	0.595	S	S	.	*	H	α-helix	trans	-87.2	-24.1	170.2	74.1	0	0	0	0	112.4	D731 F732 H737 T738	D731-S735 PolarHBondContact O-N 2.8Å; F732-S735 PolarHBondContact O-N 3.39Å; F732-S735 PolarHBondContact O-OG 2.64Å; S735-H737 VanDerWaalsContact C-N 3.32Å; S735-H737 PolarHBondContact O-N 3Å; S735-T738 PolarHBondContact O-OG1 3.23Å
736	S	25.8	Very low	35.6	Very low	79 Å²	79	117.7 Å²	117.7	55%	0.552	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-4.6	-178	60.8	0	0	0	0	115.6	F732 T733	F732-S736 PolarHBondContact O-N 3.47Å; T733-S736 PolarHBondContact O-OG 3.49Å
737	H	25	Very low	33.4	Very low	174 Å²	174	116 Å²	116	81%	0.806	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	2.5	176.4	-85.3	-69.7	0	0	0	114.9	S735	S735-H737 VanDerWaalsContact C-N 3.32Å; S735-H737 PolarHBondContact O-N 3Å
738	T	24.7	Very low	31.3	Very low	86 Å²	86	120.4 Å²	120.4	53%	0.528	65%	0.653	S	S	.	*	S	Bend	trans	-110.8	115.3	170.1	51.2	0	0	0	0	108.8	S735	S735-T738 PolarHBondContact O-OG1 3.23Å
739	T	24.3	Very low	29.8	Very low	127 Å²	127	117 Å²	117	78%	0.779	66%	0.655	S	S	*	*			trans	84.1	79.8	172.7	70.5	0	0	0	0	116.4	Q741	T739-Q741 PolarHBondContact O-N 2.87Å
740	N	22.1	Very low	28.2	Very low	171 Å²	171	120.8 Å²	120.8	91%	0.914	67%	0.671	S	S	*	*			trans	-61.7	73.3	143.7	-89.5	-17.1	0	0	0	109.3
741	Q	22.6	Very low	26.5	Very low	155 Å²	155	129.9 Å²	129.9	72%	0.724	70%	0.703	S	S	*	*			trans	-143	88.1	159	-74.8	-165.3	-16.8	0	0	108.2	T739 H743	T739-Q741 PolarHBondContact O-N 2.87Å; Q741-H743 PolarHBondContact O-N 2.96Å
742	S	21.2	Very low	25.3	Very low	123 Å²	123	133.1 Å²	133.1	86%	0.86	73%	0.726	S	S	*	*			trans	-59.7	101.6	169.8	51.4	0	0	0	0	110.1
743	H	22.2	Very low	24.5	Very low	162 Å²	162	133.1 Å²	133.1	75%	0.75	73%	0.733	S	S	*	*			trans	-98.8	111.2	158	-86.7	-79.2	0	0	0	108.9	Q741 V745	Q741-H743 PolarHBondContact O-N 2.96Å; H743-V745 PolarHBondContact O-N 3.01Å
744	S	21.6	Very low	23.6	Very low	100 Å²	100	137.1 Å²	137.1	70%	0.699	75%	0.751	S	S	*	*			trans	-59.7	114.3	176.3	51.6	0	0	0	0	111.2	F746	S744-F746 PolarHBondContact O-N 3.07Å
745	V	21.3	Very low	22.9	Very low	142 Å²	142	140.3 Å²	140.3	86%	0.861	76%	0.764	S	S	*	*			trans	-75.7	115.6	166.8	174.3	0	0	0	0	108.1	H743	H743-V745 PolarHBondContact O-N 3.01Å
746	F	20.4	Very low	22.5	Very low	183 Å²	183	142.8 Å²	142.8	80%	0.803	78%	0.781	S	S	*	*			trans	-69.9	126.1	167.6	-94	-98.7	0	0	0	109.5	S744	S744-F746 PolarHBondContact O-N 3.07Å
747	A	21	Very low	22.2	Very low	93 Å²	93	148.3 Å²	148.3	77%	0.769	80%	0.801	S	S	*	*			trans	-78.7	123.4	162.1	0	0	0	0	0	108.8
748	V	19.5	Very low	22	Very low	130 Å²	130	145 Å²	145	79%	0.788	80%	0.797	S	S	*	*			trans	-85.3	113.1	168.9	173.7	0	0	0	0	107.3
749	T	21.8	Very low	21.9	Very low	129 Å²	129	145.8 Å²	145.8	79%	0.791	81%	0.806	S	S	*	*			trans	-77.3	116	163.3	44.8	0	0	0	0	108.3
750	Q	20.2	Very low	21.9	Very low	181 Å²	181	146.6 Å²	146.6	85%	0.846	80%	0.804	S	S	*	*			trans	-93.9	129.1	170.7	-147.8	169.3	1.8	0	0	108.8
751	Y	19.5	Very low	21.9	Very low	215 Å²	215	144 Å²	144	84%	0.843	80%	0.797	S	S	*	*			trans	-55.2	132	175.7	-83.1	-109.9	0	0	0	111.2
752	T	24.9	Very low	22	Very low	133 Å²	133	143.9 Å²	143.9	82%	0.816	80%	0.801	S	S	*	*			trans	-123.2	125.9	154.1	52.9	0	0	0	0	107.6
753	D	23.7	Very low	22	Very low	155 Å²	155	146.4 Å²	146.4	83%	0.829	80%	0.799	S	S	*	*			trans	-55.7	136	-169.1	-68.6	-57.3	0	0	0	114.5	K755	D753-K755 PolarHBondContact O-N 2.88Å
754	D	22.1	Very low	22	Very low	159 Å²	159	146.2 Å²	146.2	85%	0.85	80%	0.804	S	S	*	*			trans	-58.7	123	155.4	-76.7	-44.9	0	0	0	109.8
755	K	25.6	Very low	22.1	Very low	194 Å²	194	147 Å²	147	84%	0.843	80%	0.804	S	S	*	*			trans	-166.5	94.2	143.8	-105.7	162.9	-169	-178.2	0	111.5	D753	D753-K755 PolarHBondContact O-N 2.88Å
756	S	22.3	Very low	22.1	Very low	108 Å²	108	146.8 Å²	146.8	76%	0.755	80%	0.803	S	S	*	*			trans	29.1	106.8	133.6	61.7	0	0	0	0	118.3
757	M	21.3	Very low	22.3	Very low	195 Å²	195	143.6 Å²	143.6	96%	0.961	80%	0.799	S	S	*	*			trans	-144.1	112.2	137.9	-148.6	114.9	126.5	0	0	109.5
758	S	20.4	Very low	22.2	Very low	103 Å²	103	145.8 Å²	145.8	72%	0.72	80%	0.797	S	S	*	*			trans	-78.5	161.4	175	47.3	0	0	0	0	112
759	S	22.6	Very low	22.4	Very low	103 Å²	103	145.7 Å²	145.7	72%	0.72	80%	0.796	S	S	*	*			trans	76.4	108.4	157.7	70.4	0	0	0	0	118.2
760	I	23.5	Very low	22.3	Very low	144 Å²	144	145.3 Å²	145.3	74%	0.738	80%	0.798	S	S	*	*				175.3	126.1	105.9	-81.6	153.7	0	0	0	107.6
761	P	22.3	Very low	22.3	Very low	118 Å²	118	148.2 Å²	148.2	77%	0.766	80%	0.801	S	S	*	*			trans	-88	129.1	170.6	33.5	-26.2	0	0	0	109.2
762	N	24.2	Very low	22.4	Very low	152 Å²	152	143.5 Å²	143.5	81%	0.813	80%	0.799	S	S	*	*			trans	-139.6	112.4	158.4	-105.5	-18.3	0	0	0	110.2
763	Q	20.7	Very low	22.2	Very low	176 Å²	176	147.9 Å²	147.9	82%	0.822	80%	0.801	S	S	*	*			trans	-47.3	134.1	158.5	-66.9	161	-45.6	0	0	109.1
764	N	24	Very low	22.2	Very low	157 Å²	157	150.2 Å²	150.2	84%	0.84	80%	0.8	S	S	*	*			trans	-176.5	133.9	134.3	-94.3	-21.2	0	0	0	111.7
765	V	23.6	Very low	22.2	Very low	118 Å²	118	151 Å²	151	72%	0.715	80%	0.803	S	S	*	*			trans	73.9	81.2	164.1	-160.9	0	0	0	0	116.7	T767	V765-T767 HydrophobicContact CG1-CG2 3.83Å
766	V	20.4	Very low	22.1	Very low	136 Å²	136	146.1 Å²	146.1	82%	0.824	79%	0.793	S	S	*	*			trans	-70.6	115.3	139.7	172.7	0	0	0	0	107.2
767	T	24	Very low	22.2	Very low	117 Å²	117	145.4 Å²	145.4	72%	0.718	79%	0.788	S	S	*	*			trans	-122.8	123.9	152.5	45	0	0	0	0	108	V765	V765-T767 HydrophobicContact CG1-CG2 3.83Å
768	D	20.2	Very low	22.3	Very low	139 Å²	139	143.6 Å²	143.6	74%	0.743	78%	0.782	S	S	*	*			trans	-46.1	152.4	172.6	-67.3	-58.4	0	0	0	113.6
769	V	22.8	Very low	22.5	Very low	127 Å²	127	144.4 Å²	144.4	77%	0.77	79%	0.786	S	S	*	*				162.3	113.6	114.5	165.9	0	0	0	0	108.7
770	C	20.6	Very low	22.4	Very low	121 Å²	121	144.5 Å²	144.5	82%	0.818	78%	0.784	S	S	*	*			trans	67.3	77.6	154.2	-64.6	0	0	0	0	119.9
771	R	19.1	Very low	22.4	Very low	243 Å²	243	142.3 Å²	142.3	92%	0.917	78%	0.78	S	S	*	*				-72.1	114.2	129.5	-92.8	176.8	169	164.9	-3	109.1	R773	R771-R773 PolarHBondContact O-N 2.88Å
772	S	21.1	Very low	22.4	Very low	115 Å²	115	144.8 Å²	144.8	80%	0.804	78%	0.779	S	S	*	*			trans	-72.2	104.7	145.2	62.2	0	0	0	0	106.3
773	R	21	Very low	22.2	Very low	226 Å²	226	146.9 Å²	146.9	85%	0.853	78%	0.777	S	S	*	*				52.8	87.8	95.4	-68	-164.6	-167	-171.8	5.8	113.6	R771	R771-R773 PolarHBondContact O-N 2.88Å
774	Y	23.5	Very low	22.2	Very low	204 Å²	204	145.9 Å²	145.9	80%	0.8	78%	0.777	S	S	*	*				23.5	118.1	127.3	-72.3	-87.9	0	0	0	118.2
775	L	22.9	Very low	22	Very low	175 Å²	175	143.1 Å²	143.1	92%	0.916	77%	0.769	S	S	*	*			trans	-125	91.6	130.4	-102.6	157.9	0	0	0	107.8
776	S	24.1	Very low	21.9	Very low	92 Å²	92	144.4 Å²	144.4	64%	0.643	77%	0.773	S	S	*	*			trans	-91.5	122.3	156.3	53.6	0	0	0	0	107.3
777	S	24	Very low	21.9	Very low	93 Å²	93	148.5 Å²	148.5	65%	0.65	78%	0.78	S	S	*	*			trans	-154.5	124.2	157	64.6	0	0	0	0	110.7
778	L	24	Very low	21.7	Very low	157 Å²	157	152.4 Å²	152.4	82%	0.822	78%	0.781	S	S	*	*			trans	84.1	71.8	150.7	-59.6	150.2	0	0	0	117.4
779	C	23.7	Very low	21.7	Very low	120 Å²	120	153.8 Å²	153.8	81%	0.811	78%	0.781	S	S	*	*				-97.2	110.7	129.5	-176.8	0	0	0	0	107.2
780	P	21.4	Very low	21.8	Very low	104 Å²	104	157.1 Å²	157.1	68%	0.675	79%	0.785	S	S	*	*			trans	-76.1	120.6	163	14.6	-0.6	0	0	0	108.4
781	C	22.5	Very low	21.9	Very low	99 Å²	99	156.3 Å²	156.3	67%	0.669	78%	0.78	S	S	*	*			trans	-37.2	144.8	163.1	-52.8	0	0	0	0	112.9
782	F	21.5	Very low	22.1	Very low	169 Å²	169	154.1 Å²	154.1	74%	0.741	78%	0.778	S	S	*	*				160.8	149.7	107.7	-102	-81.1	0	0	0	115.2
783	Y	21.6	Very low	22.3	Very low	197 Å²	197	157.2 Å²	157.2	77%	0.773	78%	0.779	S	S	*	*			trans	73.9	96.8	161	-73.9	-73.2	0	0	0	117.7
784	L	19.5	Very low	22.5	Very low	155 Å²	155	152.8 Å²	152.8	81%	0.812	77%	0.772	S	S	*	*				44.5	104.5	62.4	-78	162.2	0	0	0	113.9
785	S	20.7	Very low	22.6	Very low	98 Å²	98	148.5 Å²	148.5	69%	0.685	77%	0.772	S	S	*	*				167.3	133.8	106.6	54.3	0	0	0	0	112.5
786	N	20.3	Very low	22.7	Very low	146 Å²	146	147.9 Å²	147.9	78%	0.781	77%	0.769	S	S	*	*			trans	52.2	104.9	148.2	-60.8	-28.5	0	0	0	119.2
787	F	22	Very low	22.8	Very low	222 Å²	222	151.6 Å²	151.6	97%	0.974	77%	0.773	S	S	*	*				-154.2	151.9	124.7	-109	-79.2	0	0	0	111.4
788	R	18.9	Very low	22.8	Very low	199 Å²	199	154.9 Å²	154.9	75%	0.751	78%	0.78	S	S	*	*			trans	-129.7	137.2	-142.1	178.2	-177	-170	-168.1	3.9	107.7
789	K	21	Very low	22.8	Very low	168 Å²	168	154 Å²	154	73%	0.73	78%	0.775	S	S	*	*			trans	61.5	122.9	156.7	-70.9	175	175.5	-171.8	0	118.8
790	K	24.4	Very low	22.9	Very low	196 Å²	196	157 Å²	157	85%	0.852	77%	0.774	S	S	*	*				179.1	106.6	118.2	-96.4	170.9	-178.3	-175.1	0	113.5
791	S	23.5	Very low	23	Very low	104 Å²	104	156 Å²	156	73%	0.727	77%	0.77	S	S	*	*			trans	32	112.2	133	61.8	0	0	0	0	119.3
792	K	21.9	Very low	23.2	Very low	198 Å²	198	157.3 Å²	157.3	86%	0.861	77%	0.774	S	S	*	*				45.5	89.2	81.5	-79.1	-169.2	178.1	-177.6	0	114.6
793	H	25.3	Very low	23.3	Very low	180 Å²	180	159.7 Å²	159.7	83%	0.833	78%	0.78	S	S	*	*			trans	163.8	105.9	140.8	-90.3	-66.4	0	0	0	107.2
794	D	26.3	Very low	23.4	Very low	132 Å²	132	154.3 Å²	154.3	71%	0.706	77%	0.771	S	S	*	*			trans	176.7	5.6	151.5	-94.1	-20.5	0	0	0	115.6	L796 K797	D794-L796 PolarHBondContact O-N 2.83Å; D794-L796 VanDerWaalsContact O-N 3.11Å; D794-K797 PolarHBondContact O-N 3.36Å
795	S	25.9	Very low	23.4	Very low	114 Å²	114	152.6 Å²	152.6	80%	0.797	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	1	177.8	35.9	0	0	0	0	115.5
796	L	24.8	Very low	23.5	Very low	163 Å²	163	153.3 Å²	153.3	85%	0.853	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	0.1	176.7	-127.5	91.4	0	0	0	114.8	D794	D794-L796 PolarHBondContact O-N 2.83Å; D794-L796 VanDerWaalsContact O-N 3.11Å
797	K	26.5	Very low	23.7	Very low	170 Å²	170	152.6 Å²	152.6	74%	0.739	78%	0.776	S	S	*	*	S	Bend	trans	-99.9	-16.9	177.9	-93.2	-177.7	176.1	177.3	0	115.3	D794 I799	D794-K797 PolarHBondContact O-N 3.36Å; K797-I799 PolarHBondContact O-N 3.21Å
798	M	24.1	Very low	23.7	Very low	161 Å²	161	147.3 Å²	147.3	79%	0.793	76%	0.762	S	S	*	*	G	3₁₀ helix	trans	-75.6	-22	179.2	-88.1	-159.1	-175.5	0	0	114.4	K800 S801	M798-K800 PolarHBondContact O-N 3.3Å; M798-S801 PolarHBondContact O-N 2.88Å
799	I	23.7	Very low	23.9	Very low	138 Å²	138	146.3 Å²	146.3	71%	0.708	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-73.3	-12.7	-179.7	-63.6	176.7	0	0	0	112.5	K797	K797-I799 PolarHBondContact O-N 3.21Å
800	K	24.3	Very low	24.1	Very low	184 Å²	184	145.4 Å²	145.4	80%	0.8	77%	0.767	S	S	*	*	G	3₁₀ helix	trans	-101.1	-0.6	174.7	-84.9	-172.9	174	-176.5	0	115.4	M798	M798-K800 PolarHBondContact O-N 3.3Å
801	S	25.1	Very low	24.2	Very low	84 Å²	84	143.6 Å²	143.6	59%	0.587	76%	0.761	S	S	*	*	S	Bend	trans	-87.7	-17.8	-179.2	-172.3	0	0	0	0	114.3	M798	M798-S801 PolarHBondContact O-N 2.88Å
802	V	25.2	Very low	24.4	Very low	125 Å²	125	146.7 Å²	146.7	76%	0.758	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-15.2	-176.7	-178	0	0	0	0	112.5
803	Y	24.2	Very low	24.6	Very low	219 Å²	219	144.1 Å²	144.1	86%	0.859	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	15.1	-179.9	-81.6	-74.3	0	0	0	115.3
804	S	23.2	Very low	24.7	Very low	84 Å²	84	141.9 Å²	141.9	59%	0.587	76%	0.757	S	S	*	*			trans	-122.7	8.3	-175.4	64.9	0	0	0	0	117.2	S806	S804-S806 PolarHBondContact O-N 2.78Å; S804-S806 VanDerWaalsContact O-N 3.15Å
805	C	21.2	Very low	24.8	Very low	120 Å²	120	144 Å²	144	81%	0.811	76%	0.763	S	S	*	*			trans	-84.6	87.6	163.1	-96.7	0	0	0	0	109.8	V807	C805-V807 VanDerWaalsContact C-N 3.28Å; C805-V807 PolarHBondContact O-N 2.88Å
806	S	22.4	Very low	24.9	Very low	112 Å²	112	145.7 Å²	145.7	78%	0.783	76%	0.758	S	S	*	*			trans	-62.3	86.5	162.2	47.8	0	0	0	0	109.7	S804 T808	S804-S806 PolarHBondContact O-N 2.78Å; S804-S806 VanDerWaalsContact O-N 3.15Å; S806-T808 PolarHBondContact O-N 3.22Å
807	V	23.1	Very low	25.1	Very low	131 Å²	131	145.3 Å²	145.3	79%	0.794	75%	0.75	S	S	*	*			trans	-79	114.1	164.3	-179.9	0	0	0	0	106.8	C805	C805-V807 VanDerWaalsContact C-N 3.28Å; C805-V807 PolarHBondContact O-N 2.88Å
808	T	23.3	Very low	25	Very low	111 Å²	111	144 Å²	144	68%	0.681	75%	0.746	S	S	*	*			trans	-54.9	133.2	-179.3	42	0	0	0	0	111.9	S806 N810	S806-T808 PolarHBondContact O-N 3.22Å; T808-N810 PolarHBondContact O-N 2.91Å
809	K	22.6	Very low	25.1	Very low	179 Å²	179	139.6 Å²	139.6	78%	0.778	74%	0.735	S	S	*	*			trans	-41.7	104.6	163.8	-70.7	175.7	169.1	-172.6	0	111.2
810	N	25.5	Very low	25.3	Very low	148 Å²	148	138.7 Å²	138.7	79%	0.791	73%	0.732	S	S	*	*			trans	-122.1	75.8	156.1	-85.1	-12.8	0	0	0	106.8	T808 L812	T808-N810 PolarHBondContact O-N 2.91Å; N810-L812 PolarHBondContact O-N 2.83Å
811	E	26.3	Very low	25.3	Very low	158 Å²	158	134.4 Å²	134.4	74%	0.738	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	113.3	160.2	-67.7	166.7	-179.4	0	0	106.7
812	L	27	Very low	25.2	Very low	169 Å²	169	137.2 Å²	137.2	89%	0.885	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	161	1	148	-86.1	155.1	0	0	0	116.1	N810	N810-L812 PolarHBondContact O-N 2.83Å
813	I	26.7	Very low	25.1	Very low	145 Å²	145	134.4 Å²	134.4	74%	0.744	73%	0.726	S	S	*	*	S	Bend	trans	-118.3	-13.7	-176.3	-57.5	177.8	0	0	0	114.7	E815	I813-E815 PolarHBondContact O-N 3.46Å
814	D	28.1	Very low	25	Very low	132 Å²	132	131.4 Å²	131.4	71%	0.706	72%	0.721	S	S	*	*	H	α-helix	trans	-82.8	-12.1	-177.9	-71.7	-29.4	0	0	0	115	E816 E818	D814-E816 PolarHBondContact O-N 2.97Å; D814-E818 PolarHBondContact O-N 2.84Å
815	E	28.3	Very low	24.9	Very low	176 Å²	176	137.4 Å²	137.4	82%	0.822	73%	0.731	S	S	*	*	H	α-helix	trans	-74.1	-24.5	177.8	-70.5	-165.7	170.4	0	0	113.2	I813 A819	I813-E815 PolarHBondContact O-N 3.46Å; E815-A819 WeakPolarHBondContact O-CB 3.41Å; E815-A819 PolarHBondContact O-N 3.4Å; E815-A819 VanDerWaalsContact O-N 3.13Å
816	E	27.8	Very low	25	Very low	150 Å²	150	138.9 Å²	138.9	70%	0.701	73%	0.728	S	S	*	*	H	α-helix	trans	-84.7	-24.6	-178.6	-161	166.4	-164.3	0	0	112.9	D814 N820	D814-E816 PolarHBondContact O-N 2.97Å; E816-N820 PolarHBondContact O-ND2 2.94Å; E816-N820 VanDerWaalsContact O-ND2 3.14Å
817	F	27.8	Very low	25.2	Very low	155 Å²	155	137.6 Å²	137.6	68%	0.68	71%	0.712	S	S	*	*	H	α-helix	trans	-81.4	-35.4	174.2	-167.6	-103.1	0	0	0	112.2	T821	F817-T821 PolarHBondContact O-OG1 3.29Å
818	E	25	Very low	25.1	Very low	143 Å²	143	140.1 Å²	140.1	67%	0.668	71%	0.712	S	S	*	*	H	α-helix	trans	-74.4	-34.3	173.9	-72.4	-139.4	159	0	0	112.9	D814 N820	D814-E818 PolarHBondContact O-N 2.84Å; E818-N820 PolarHBondContact O-N 3.03Å
819	A	26.9	Very low	25.1	Very low	68 Å²	68	139 Å²	139	56%	0.562	71%	0.709	S	S	*	*	H	α-helix	trans	-68.2	-32.9	179.7	0	0	0	0	0	113.6	E815	E815-A819 WeakPolarHBondContact O-CB 3.41Å; E815-A819 PolarHBondContact O-N 3.4Å; E815-A819 VanDerWaalsContact O-N 3.13Å
820	N	26.5	Very low	25	Very low	120 Å²	120	137 Å²	137	64%	0.642	71%	0.705	S	S	*	*	H	α-helix	trans	-95.1	-11.1	-171.5	-72.6	-38.8	0	0	0	115	E816 E818	E816-N820 PolarHBondContact O-ND2 2.94Å; E816-N820 VanDerWaalsContact O-ND2 3.14Å; E818-N820 PolarHBondContact O-N 3.03Å
821	T	25.2	Very low	24.8	Very low	93 Å²	93	135.4 Å²	135.4	57%	0.571	70%	0.701	S	S	*	*	H	α-helix	trans	-108.8	-9.3	-173.4	-23.9	0	0	0	0	114.6	F817	F817-T821 PolarHBondContact O-OG1 3.29Å
822	L	23.9	Very low	24.6	Very low	144 Å²	144	136.5 Å²	136.5	75%	0.754	70%	0.699	S	S	*	*	S	Bend	trans	-125.3	16.1	179.5	-74.5	167.4	0	0	0	114.7	M824	L822-M824 VanDerWaalsContact C-N 3.3Å; L822-M824 PolarHBondContact O-N 3.49Å
823	G	21.3	Very low	24.2	Very low	66 Å²	66	133.7 Å²	133.7	68%	0.68	69%	0.689	S	S	*	*			trans	-74.6	61.6	-179.6	0	0	0	0	0	115.7
824	M	22.3	Very low	24	Very low	155 Å²	155	132.4 Å²	132.4	76%	0.764	69%	0.688	S	S	*	*			trans	-117.1	75	150.8	-72.8	-162.6	100.4	0	0	108.4	L822 M826	L822-M824 VanDerWaalsContact C-N 3.3Å; L822-M824 PolarHBondContact O-N 3.49Å; M824-M826 PolarHBondContact O-N 3.28Å; M824-M826 VanDerWaalsContact O-N 3.13Å
825	R	21.1	Very low	23.6	Very low	211 Å²	211	133.1 Å²	133.1	80%	0.796	69%	0.692	S	S	*	*			trans	-59.4	109.3	171.4	-126	178.5	178.2	154	0.6	108.6	D827	R825-D827 HydrophobicContact CG-CB 4Å; R825-D827 WeakPolarHBondContact CG-OD2 3.4Å; R825-D827 IonicContact NE-OD2 2.69Å; R825-D827 PolarHBondContact O-N 3.12Å
826	M	24.2	Very low	23.3	Very low	151 Å²	151	130.8 Å²	130.8	74%	0.744	69%	0.69	S	S	*	*			trans	-76.3	3	163.4	-75.1	-82.5	-81	0	0	111.4	M824 K828	M824-M826 PolarHBondContact O-N 3.28Å; M824-M826 VanDerWaalsContact O-N 3.13Å; M826-K828 VanDerWaalsContact C-N 3.34Å; M826-K828 PolarHBondContact O-N 3.18Å
827	D	25.6	Very low	23	Very low	85 Å²	85	129 Å²	129	46%	0.455	69%	0.691	S	S	.	*			trans	-80.7	80.8	179.2	-47.4	-18.9	0	0	0	110.1	R825	R825-D827 HydrophobicContact CG-CB 4Å; R825-D827 WeakPolarHBondContact CG-OD2 3.4Å; R825-D827 IonicContact NE-OD2 2.69Å; R825-D827 PolarHBondContact O-N 3.12Å
828	K	21.7	Very low	22.7	Very low	183 Å²	183	127 Å²	127	80%	0.796	69%	0.692	S	S	*	*			trans	-172.7	101.1	143.3	-100.7	160.1	-169.7	-174.3	0	107.4	M826 I830	M826-K828 VanDerWaalsContact C-N 3.34Å; M826-K828 PolarHBondContact O-N 3.18Å; K828-I830 VanDerWaalsContact C-N 3.3Å; K828-I830 PolarHBondContact O-N 2.83Å
829	S	23.3	Very low	22.6	Very low	87 Å²	87	128.1 Å²	128.1	61%	0.608	70%	0.7	S	S	*	*			trans	-51.4	99.2	153.7	46.8	0	0	0	0	107.9	V831	S829-V831 VanDerWaalsContact C-N 3.34Å; S829-V831 PolarHBondContact O-N 3.1Å
830	I	20.8	Very low	22.4	Very low	138 Å²	138	131.5 Å²	131.5	71%	0.708	71%	0.707	S	S	*	*			trans	-69.9	98.9	175.5	-64.4	173.4	0	0	0	106.5	K828 Y832	K828-I830 VanDerWaalsContact C-N 3.3Å; K828-I830 PolarHBondContact O-N 2.83Å; I830-Y832 PolarHBondContact O-N 3.46Å
831	V	20.4	Very low	22.2	Very low	114 Å²	114	130.7 Å²	130.7	69%	0.691	71%	0.711	S	S	*	*			trans	-62	119.5	162.5	175.7	0	0	0	0	107	S829 V833	S829-V831 VanDerWaalsContact C-N 3.34Å; S829-V831 PolarHBondContact O-N 3.1Å; V831-V833 HydrophobicContact CG1-CG2 4.19Å; V831-V833 PolarHBondContact O-N 3.37Å; V831-V833 VanDerWaalsContact O-N 3.07Å
832	Y	22.1	Very low	22.2	Very low	181 Å²	181	131.3 Å²	131.3	71%	0.71	72%	0.717	S	S	*	*			trans	-68.8	102.6	173.6	-69.6	-88.6	0	0	0	109.2	I830	I830-Y832 PolarHBondContact O-N 3.46Å
833	V	20.5	Very low	22.2	Very low	111 Å²	111	130.6 Å²	130.6	67%	0.673	72%	0.721	S	S	*	*			trans	-104.7	88.6	161.8	-176.1	0	0	0	0	107.1	V831 N835	V831-V833 HydrophobicContact CG1-CG2 4.19Å; V831-V833 PolarHBondContact O-N 3.37Å; V831-V833 VanDerWaalsContact O-N 3.07Å; V833-N835 HydrophobicContact CG1-CB 4.44Å; V833-N835 PolarHBondContact O-N 3.44Å
834	T	22.2	Very low	22.2	Very low	118 Å²	118	136.5 Å²	136.5	72%	0.724	73%	0.728	S	S	*	*			trans	-89.2	79.2	166	54	0	0	0	0	108.8
835	N	20	Very low	22.2	Very low	146 Å²	146	135.7 Å²	135.7	78%	0.781	73%	0.732	S	S	*	*			trans	-92.3	79.3	157.6	-82.4	-11.6	0	0	0	107.5	V833	V833-N835 HydrophobicContact CG1-CB 4.44Å; V833-N835 PolarHBondContact O-N 3.44Å
836	V	20.7	Very low	22.3	Very low	128 Å²	128	132.4 Å²	132.4	78%	0.776	73%	0.729	S	S	*	*			trans	-108.5	117.4	157.4	-178.5	0	0	0	0	106.4	T838	V836-T838 PolarHBondContact O-N 3.24Å
837	P	22.6	Very low	22.3	Very low	111 Å²	111	131.9 Å²	131.9	72%	0.721	73%	0.729	S	S	*	*			trans	-62	129.3	-175.2	-18.3	29.5	0	0	0	111.6	I839	P837-I839 PolarHBondContact O-N 2.87Å
838	T	21.6	Very low	22.5	Very low	115 Å²	115	133.1 Å²	133.1	71%	0.706	74%	0.744	S	S	*	*			trans	-50.2	112.5	160.5	44.7	0	0	0	0	111.3	V836	V836-T838 PolarHBondContact O-N 3.24Å
839	I	22.6	Very low	22.9	Very low	165 Å²	165	131.7 Å²	131.7	85%	0.846	74%	0.744	S	S	*	*			trans	-103.5	96.2	148.2	-62.8	178.8	0	0	0	105.7	P837	P837-I839 PolarHBondContact O-N 2.87Å
840	I	21.9	Very low	23.8	Very low	139 Å²	139	131.8 Å²	131.8	71%	0.713	74%	0.743	S	S	*	*			trans	-76	122.5	169.1	-67.2	162.4	0	0	0	106.7
841	S	21.7	Very low	25.1	Very low	104 Å²	104	131.5 Å²	131.5	73%	0.727	74%	0.743	S	S	*	*			trans	-129.7	124.3	145	49.4	0	0	0	0	107.7
842	P	25.6	Very low	26.7	Very low	106 Å²	106	130 Å²	130	69%	0.688	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-70.7	148	-169.1	29.1	-33.9	0	0	0	111.7	K844	P842-K844 PolarHBondContact O-N 3.3Å
843	P	24.6	Very low	28.4	Very low	129 Å²	129	121.5 Å²	121.5	84%	0.838	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-72.6	128	-178.3	19.2	-13	0	0	0	110.2	T845	P843-T845 PolarHBondContact O-N 2.77Å
844	K	21.8	Very low	30.4	Very low	189 Å²	189	122.2 Å²	122.2	82%	0.822	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-63.5	124	171.4	-73.2	179.8	176.3	178.3	0	109.2	P842 I846	P842-K844 PolarHBondContact O-N 3.3Å; K844-I846 PolarHBondContact O-N 3.13Å
845	T	21.7	Very low	31.7	Very low	139 Å²	139	120.4 Å²	120.4	85%	0.853	69%	0.694	S	S	*	*			trans	-51.9	108.4	163.9	45.3	0	0	0	0	110.7	P843	P843-T845 PolarHBondContact O-N 2.77Å
846	I	22.9	Very low	33.1	Very low	142 Å²	142	116.1 Å²	116.1	73%	0.728	67%	0.674	S	S	*	*			trans	-139.3	102	164.6	-60	-178.8	0	0	0	108.2	K844	K844-I846 PolarHBondContact O-N 3.13Å
847	D	24.9	Very low	34.4	Very low	140 Å²	140	112.5 Å²	112.5	75%	0.749	66%	0.663	S	S	*	*			trans	39.2	120.5	134.6	-57.6	-32.8	0	0	0	120.9
848	S	30	Very low	36	Very low	110 Å²	110	110.4 Å²	110.4	77%	0.769	65%	0.648	S	S	*	*			trans	49.1	97.8	146.9	60.6	0	0	0	0	117.4
849	L	29.3	Very low	37.5	Very low	153 Å²	153	108 Å²	108	80%	0.801	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-54.3	133.9	161.6	-120.8	87.3	0	0	0	109.6	N851	L849-N851 PolarHBondContact O-N 3.34Å
850	P	41.8	Very low	38.8	Very low	90 Å²	90	103.6 Å²	103.6	58%	0.584	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-66.8	132.2	-174.1	21.7	-25.3	0	0	0	110.5	I852	P850-I852 WeakPolarHBondContact O-CG1 3.31Å; P850-I852 PolarHBondContact O-N 3.3Å
851	N	48.6	Very low	40.1	Very low	131 Å²	131	103.2 Å²	103.2	70%	0.701	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-47	121.3	179.2	-71.6	-33	0	0	0	111	L849 L862	L849-N851 PolarHBondContact O-N 3.34Å; N851-L862 HydrophobicContact CB-CD1 3.73Å; N851-L862 WeakPolarHBondContact O-CD1 3.18Å
852	I	54.2	Low	41.2	Very low	83 Å²	83	100.2 Å²	100.2	43%	0.426	60%	0.599	S	S	.	*			trans	-115.4	136.9	-179.8	-40.6	-175.7	0	0	0	108.3	P850 V854 G857	P850-I852 WeakPolarHBondContact O-CG1 3.31Å; P850-I852 PolarHBondContact O-N 3.3Å; I852-V854 PolarHBondContact O-N 3.22Å; I852-V854 VanDerWaalsContact O-N 3.13Å; I852-G857 WeakPolarHBondContact CG2-O 3.07Å
853	C	56.7	Low	42.4	Very low	2 Å²	2	103.5 Å²	103.5	1%	0.014	61%	0.61	C	S	.	*			trans	-57.2	118.4	175	178.4	0	0	0	0	110.4	S855 C856 G857 V858 L862 C867 C870	C853-S855 PolarHBondContact O-N 2.86Å; C853-C856 PolarHBondContact O-N 2.95Å; C853-G857 PolarHBondContact O-N 3.04Å; C853-V858 WeakPolarHBondContact CB-O 3.44Å; C853-V858 PolarHBondContact N-O 3.18Å; C853-L862 HydrophobicContact CB-CD2 4.04Å; C853-C867 HydrophobicContact CB-CB 3.91Å; C853-C867 PolarHBondContact SG-N 3.14Å; C853-C867 VanDerWaalsContact SG-SG 3.64Å; C853-C870 VanDerWaalsContact SG-SG 3.68Å
854	V	61.9	Low	43.9	Very low	126 Å²	126	99.1 Å²	99.1	76%	0.764	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-27.5	-179.6	168.7	0	0	0	0	112	I852 D865	I852-V854 PolarHBondContact O-N 3.22Å; I852-V854 VanDerWaalsContact O-N 3.13Å; V854-D865 HydrophobicContact CG2-CB 4.33Å; V854-D865 PolarHBondContact N-O 3.49Å
855	S	49.5	Very low	45.6	Very low	80 Å²	80	96.3 Å²	96.3	56%	0.559	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-28.9	-177.6	-172.8	0	0	0	0	114.8	C853	C853-S855 PolarHBondContact O-N 2.86Å
856	C	50.5	Low	47.4	Very low	56 Å²	56	91.3 Å²	91.3	38%	0.378	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138	-4.3	-171.5	71.1	0	0	0	0	116	C853 V858 C867	C853-C856 PolarHBondContact O-N 2.95Å; C856-V858 VanDerWaalsContact C-N 3.3Å; C856-V858 PolarHBondContact O-N 3.31Å; C856-C867 VanDerWaalsContact SG-SG 3.62Å
857	G	48.7	Very low	49.5	Very low	53 Å²	53	84.7 Å²	84.7	55%	0.546	51%	0.512	S	S	.	.			trans	79.1	7.7	176.2	0	0	0	0	0	115	I852 C853	I852-G857 WeakPolarHBondContact CG2-O 3.07Å; C853-G857 PolarHBondContact O-N 3.04Å
858	V	54.9	Low	51.4	Low	66 Å²	66	81.6 Å²	81.6	40%	0.4	50%	0.501	S	S	.	.			trans	-85.2	130.8	179.4	176.2	0	0	0	0	110.8	C853 C856 S860	C853-V858 WeakPolarHBondContact CB-O 3.44Å; C853-V858 PolarHBondContact N-O 3.18Å; C856-V858 VanDerWaalsContact C-N 3.3Å; C856-V858 PolarHBondContact O-N 3.31Å; V858-S860 WeakPolarHBondContact CG1-OG 3.46Å
859	A	53.9	Low	52.8	Low	66 Å²	66	80.4 Å²	80.4	55%	0.545	49%	0.493	S	S	.	.			trans	-93.5	8	-175	0	0	0	0	0	115.2
860	S	48.6	Very low	54.1	Low	71 Å²	71	73.9 Å²	73.9	50%	0.497	46%	0.46	S	S	.	.	S	Bend	trans	-112.1	135.2	-178.9	60.8	0	0	0	0	113	V858	V858-S860 WeakPolarHBondContact CG1-OG 3.46Å
861	N	49.5	Very low	55	Low	131 Å²	131	75.2 Å²	75.2	70%	0.701	45%	0.453	S	S	*	.			trans	67	55	172.9	-64.4	-24.6	0	0	0	116.6
862	L	44.7	Very low	55.2	Low	41 Å²	41	77.2 Å²	77.2	22%	0.215	45%	0.452	C	S	.	.			trans	-97.9	109.3	172.2	-70.1	155.1	0	0	0	110.5	N851 C853 S864 C867	N851-L862 HydrophobicContact CB-CD1 3.73Å; N851-L862 WeakPolarHBondContact O-CD1 3.18Å; C853-L862 HydrophobicContact CB-CD2 4.04Å; L862-S864 VanDerWaalsContact C-N 3.34Å; L862-S864 WeakPolarHBondContact CB-O 3.45Å; L862-S864 WeakPolarHBondContact CD2-O 3.16Å; L862-C867 HydrophobicContact CD2-CB 4.18Å
863	L	51.8	Low	54.6	Low	176 Å²	176	78 Å²	78	92%	0.921	46%	0.461	S	S	*	.	S	Bend	trans	-95.7	5.4	161	-77.6	161.2	0	0	0	111.3
864	S	56.1	Low	54.1	Low	37 Å²	37	84.2 Å²	84.2	26%	0.259	49%	0.49	S	S	.	.	S	Bend	trans	-167	177.6	176.9	60.6	0	0	0	0	109.3	L862 T866 R871	L862-S864 VanDerWaalsContact C-N 3.34Å; L862-S864 WeakPolarHBondContact CB-O 3.45Å; L862-S864 WeakPolarHBondContact CD2-O 3.16Å; S864-T866 PolarHBondContact O-N 3.06Å; S864-T866 PolarHBondContact OG-O 2.77Å; S864-T866 VanDerWaalsContact OG-O 3.13Å; S864-R871 PolarHBondContact OG-NE 3.2Å; S864-R871 PolarHBondContact OG-NH2 3.33Å
865	D	57.9	Low	53	Low	130 Å²	130	84.1 Å²	84.1	70%	0.695	49%	0.485	S	S	*	.	S	Bend	trans	-59.2	-8.6	179.4	-45.8	-16.7	0	0	0	115.2	V854	V854-D865 HydrophobicContact CG2-CB 4.33Å; V854-D865 PolarHBondContact N-O 3.49Å
866	T	58.6	Low	52.1	Low	33 Å²	33	88.4 Å²	88.4	20%	0.202	49%	0.494	C	S	.	.	S	Bend	trans	-122.6	138.7	174.4	53.5	0	0	0	0	111.6	S864	S864-T866 PolarHBondContact O-N 3.06Å; S864-T866 PolarHBondContact OG-O 2.77Å; S864-T866 VanDerWaalsContact OG-O 3.13Å
867	C	68.3	Low	51	Low	4 Å²	4	94.4 Å²	94.4	3%	0.027	52%	0.516	C	S	.	.			trans	-73.3	161.7	176.7	72.7	0	0	0	0	111.3	C853 C856 L862 S869 C870 R871	C853-C867 HydrophobicContact CB-CB 3.91Å; C853-C867 PolarHBondContact SG-N 3.14Å; C853-C867 VanDerWaalsContact SG-SG 3.64Å; C856-C867 VanDerWaalsContact SG-SG 3.62Å; L862-C867 HydrophobicContact CD2-CB 4.18Å; C867-S869 PolarHBondContact O-N 3.48Å; C867-C870 PolarHBondContact O-N 3.31Å; C867-C870 VanDerWaalsContact SG-SG 3.63Å; C867-R871 PolarHBondContact O-N 2.8Å
868	S	64.5	Low	50	Low	74 Å²	74	97.5 Å²	97.5	52%	0.517	52%	0.524	S	S	.	.	H	α-helix	trans	-52.9	-38.3	-179.7	52.4	0	0	0	0	113.5	R871 Y872	S868-R871 PolarHBondContact O-N 2.86Å; S868-Y872 PolarHBondContact O-N 2.78Å; S868-Y872 VanDerWaalsContact O-N 3.08Å
869	S	57.9	Low	48.4	Very low	86 Å²	86	98.1 Å²	98.1	60%	0.601	55%	0.545	S	S	*	.	H	α-helix	trans	-66.6	-42.9	177.2	-58.8	0	0	0	0	112.7	C867 Y872 T873	C867-S869 PolarHBondContact O-N 3.48Å; S869-Y872 PolarHBondContact O-N 3.19Å; S869-T873 PolarHBondContact O-N 2.82Å; S869-T873 PolarHBondContact O-OG1 3.19Å
870	C	57	Low	47	Very low	15 Å²	15	101.1 Å²	101.1	10%	0.101	56%	0.556	C	S	.	*	H	α-helix	trans	-69.2	-34.1	178.2	-71.1	0	0	0	0	112.3	C853 C867 T873 Q874	C853-C870 VanDerWaalsContact SG-SG 3.68Å; C867-C870 PolarHBondContact O-N 3.31Å; C867-C870 VanDerWaalsContact SG-SG 3.63Å; C870-T873 WeakPolarHBondContact CA-OG1 3.26Å; C870-T873 PolarHBondContact O-N 3Å; C870-T873 PolarHBondContact O-OG1 2.82Å; C870-Q874 PolarHBondContact O-N 2.87Å
871	R	62.2	Low	45.8	Very low	118 Å²	118	102.5 Å²	102.5	45%	0.445	57%	0.565	S	S	.	*	H	α-helix	trans	-62.1	-42.9	169.8	-85.9	-168.9	-168	-170.5	1.9	112.3	S864 C867 S868 T873 Q874 N875	S864-R871 PolarHBondContact OG-NE 3.2Å; S864-R871 PolarHBondContact OG-NH2 3.33Å; C867-R871 PolarHBondContact O-N 2.8Å; S868-R871 PolarHBondContact O-N 2.86Å; R871-T873 PolarHBondContact O-N 3.48Å; R871-Q874 PolarHBondContact O-N 2.81Å; R871-Q874 VanDerWaalsContact O-N 3.09Å; R871-N875 PolarHBondContact O-N 3.05Å
872	Y	52	Low	44.5	Very low	174 Å²	174	101.8 Å²	101.8	68%	0.682	57%	0.571	S	S	*	*	H	α-helix	trans	-62.3	-33.3	-177.7	-156.4	-90.2	0	0	0	111.9	S868 S869	S868-Y872 PolarHBondContact O-N 2.78Å; S868-Y872 VanDerWaalsContact O-N 3.08Å; S869-Y872 PolarHBondContact O-N 3.19Å
873	T	42.3	Very low	43.4	Very low	100 Å²	100	104.3 Å²	104.3	61%	0.613	60%	0.597	S	S	*	*	H	α-helix	trans	-72.6	-34.3	173.3	36.5	0	0	0	0	113.9	S869 C870 R871	S869-T873 PolarHBondContact O-N 2.82Å; S869-T873 PolarHBondContact O-OG1 3.19Å; C870-T873 WeakPolarHBondContact CA-OG1 3.26Å; C870-T873 PolarHBondContact O-N 3Å; C870-T873 PolarHBondContact O-OG1 2.82Å; R871-T873 PolarHBondContact O-N 3.48Å
874	Q	44.5	Very low	42.1	Very low	131 Å²	131	102.8 Å²	102.8	61%	0.612	60%	0.595	S	S	*	*	H	α-helix	trans	-72.6	-34.6	177.9	-74.3	-167.3	-12.1	0	0	112.7	C870 R871 K876	C870-Q874 PolarHBondContact O-N 2.87Å; R871-Q874 PolarHBondContact O-N 2.81Å; R871-Q874 VanDerWaalsContact O-N 3.09Å; Q874-K876 PolarHBondContact O-N 3.31Å; Q874-K876 VanDerWaalsContact O-N 3.13Å
875	N	40	Very low	40.4	Very low	124 Å²	124	106.5 Å²	106.5	66%	0.663	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-75.5	1.1	-179.2	-76.2	-7.3	0	0	0	114.6	R871	R871-N875 PolarHBondContact O-N 3.05Å
876	K	30.7	Very low	38.7	Very low	171 Å²	171	105.9 Å²	105.9	74%	0.743	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-85.9	2	174.7	-102.7	-173.7	177.6	-176.5	0	115	Q874	Q874-K876 PolarHBondContact O-N 3.31Å; Q874-K876 VanDerWaalsContact O-N 3.13Å
877	Q	27.7	Very low	37.3	Very low	181 Å²	181	111.4 Å²	111.4	85%	0.846	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-102.4	6.2	179.6	-79.9	-168.9	-17.2	0	0	116.2
878	T	26.2	Very low	35.2	Very low	118 Å²	118	120.1 Å²	120.1	72%	0.724	69%	0.686	S	S	*	*			trans	-134.7	88.6	176.7	57	0	0	0	0	111.8
879	G	22.8	Very low	33.3	Very low	80 Å²	80	121.3 Å²	121.3	83%	0.825	69%	0.691	S	S	*	*			trans	-85.9	104.2	164.4	0	0	0	0	0	110.4
880	V	24.5	Very low	31.6	Very low	129 Å²	129	123.4 Å²	123.4	78%	0.782	70%	0.7	S	S	*	*			trans	-148.1	107	158.9	-178.3	0	0	0	0	110
881	S	22.1	Very low	30.1	Very low	99 Å²	99	128.5 Å²	128.5	69%	0.692	74%	0.736	S	S	*	*			trans	57.8	136.1	147.6	78.5	0	0	0	0	123.3
882	S	23.7	Very low	28.3	Very low	117 Å²	117	125.9 Å²	125.9	82%	0.818	75%	0.746	S	S	*	*			trans	104.2	117.2	138.4	-44.2	0	0	0	0	118.1
883	A	19.8	Very low	27	Very low	93 Å²	93	125.2 Å²	125.2	77%	0.769	75%	0.754	S	S	*	*			trans	-73.6	146.4	177.3	0	0	0	0	0	113.7
884	V	24.8	Very low	26.1	Very low	145 Å²	145	125.8 Å²	125.8	88%	0.879	76%	0.762	S	S	*	*			trans	-153.1	137.8	138	-179.9	0	0	0	0	108.8
885	T	20.4	Very low	25.1	Very low	114 Å²	114	126.1 Å²	126.1	70%	0.699	78%	0.778	S	S	*	*			trans	-86.6	168.3	-176.7	40.1	0	0	0	0	113.6
886	T	23.6	Very low	24.4	Very low	118 Å²	118	125.9 Å²	125.9	72%	0.724	79%	0.786	S	S	*	*			trans	121.7	131.2	142.8	67.5	0	0	0	0	118.8
887	N	27.9	Very low	24	Very low	148 Å²	148	124.8 Å²	124.8	79%	0.791	79%	0.788	S	S	*	*			trans	103.9	84.9	152.3	-57.9	-19.3	0	0	0	120.6
888	H	23.9	Very low	23.9	Very low	188 Å²	188	123.9 Å²	123.9	87%	0.87	79%	0.789	S	S	*	*				13.3	162	126.7	-90.6	-79.7	0	0	0	123.1
889	P	26.5	Very low	23.7	Very low	98 Å²	98	126.5 Å²	126.5	64%	0.636	79%	0.792	S	S	*	*			trans	-133.8	-171.5	-141.7	36.2	-10.7	0	0	0	115.4
890	V	22.1	Very low	23.7	Very low	130 Å²	130	129.6 Å²	129.6	79%	0.788	80%	0.795	S	S	*	*			trans	72.7	126.7	154.9	-172.3	0	0	0	0	119.9
891	S	24.4	Very low	23.5	Very low	122 Å²	122	129.9 Å²	129.9	85%	0.853	79%	0.791	S	S	*	*				165.6	147	121.8	46	0	0	0	0	115
892	G	24.8	Very low	23.5	Very low	64 Å²	64	131.6 Å²	131.6	66%	0.66	79%	0.791	S	S	*	*			trans	109.2	92.7	154.6	0	0	0	0	0	116.1
893	D	24.7	Very low	23.5	Very low	160 Å²	160	133.5 Å²	133.5	86%	0.856	79%	0.793	S	S	*	*				72.1	112	86.1	-72.4	-24.5	0	0	0	112.3
894	S	24	Very low	23.6	Very low	111 Å²	111	135.8 Å²	135.8	78%	0.776	79%	0.792	S	S	*	*				131.6	123.4	66.5	58.8	0	0	0	0	105.6
895	C	23.5	Very low	23.7	Very low	139 Å²	139	138.2 Å²	138.2	94%	0.939	79%	0.793	S	S	*	*			trans	-131.2	120.1	175.5	-94.4	0	0	0	0	108.5
896	S	24.6	Very low	23.7	Very low	118 Å²	118	142 Å²	142	83%	0.825	80%	0.803	S	S	*	*			trans	-91.1	133.8	-171.6	40.3	0	0	0	0	111.8
897	N	21.8	Very low	23.8	Very low	148 Å²	148	142.6 Å²	142.6	79%	0.791	81%	0.806	S	S	*	*			trans	-64.1	135.9	168.2	-73.6	-33.5	0	0	0	111.1
898	N	25.1	Very low	23.5	Very low	162 Å²	162	143.4 Å²	143.4	87%	0.866	81%	0.811	S	S	*	*			trans	-139.6	112.6	155.1	-96	-19.7	0	0	0	110
899	H	22.2	Very low	23.5	Very low	173 Å²	173	139.4 Å²	139.4	80%	0.801	80%	0.804	S	S	*	*			trans	-73.6	132.2	167.3	-87.8	-90	0	0	0	110
900	V	24.4	Very low	23.3	Very low	146 Å²	146	143.6 Å²	143.6	89%	0.885	82%	0.815	S	S	*	*			trans	-137.2	135.8	155.7	-179.6	0	0	0	0	108.2
901	L	19.9	Very low	23.4	Very low	134 Å²	134	147 Å²	147	70%	0.702	82%	0.819	S	S	*	*			trans	-113.6	149	-168	-97.3	165.1	0	0	0	109.4
902	I	21	Very low	23.4	Very low	135 Å²	135	146.5 Å²	146.5	69%	0.692	82%	0.816	S	S	*	*			trans	78.1	117.7	152.4	-55.6	150.9	0	0	0	117.5
903	D	25.3	Very low	23.3	Very low	158 Å²	158	148.4 Å²	148.4	85%	0.845	82%	0.817	S	S	*	*				-167.3	135.7	115.7	-109.4	-18.9	0	0	0	111.9
904	D	21.1	Very low	23.2	Very low	141 Å²	141	146.7 Å²	146.7	75%	0.754	81%	0.812	S	S	*	*			trans	-76.8	141.9	179.2	-67.4	-53.3	0	0	0	111.6
905	H	26.6	Very low	23.2	Very low	196 Å²	196	147.4 Å²	147.4	91%	0.907	81%	0.812	S	S	*	*			trans	-161.7	117.9	147.7	-98	-62.3	0	0	0	111.1
906	E	20.3	Very low	23.2	Very low	192 Å²	192	148.4 Å²	148.4	90%	0.897	81%	0.808	S	S	*	*			trans	-61.7	128.5	171	-70.4	169.4	141.8	0	0	111.6
907	V	26.8	Very low	23	Very low	132 Å²	132	145.4 Å²	145.4	80%	0.8	80%	0.795	S	S	*	*			trans	-140.1	110.4	157.7	-179.9	0	0	0	0	108.1	S909	V907-S909 PolarHBondContact O-N 2.82Å
908	D	20.6	Very low	23	Very low	164 Å²	164	145.9 Å²	145.9	88%	0.877	80%	0.796	S	S	*	*			trans	-63.5	120.5	166.5	-71.8	-46.8	0	0	0	110.5
909	S	25	Very low	22.9	Very low	105 Å²	105	144.4 Å²	144.4	73%	0.734	79%	0.787	S	S	*	*			trans	-162.7	125.2	149	60	0	0	0	0	111.1	V907 F911	V907-S909 PolarHBondContact O-N 2.82Å; S909-F911 PolarHBondContact O-N 2.9Å
910	E	21.4	Very low	23	Very low	185 Å²	185	145.1 Å²	145.1	86%	0.864	79%	0.791	S	S	*	*			trans	-53	110.2	175.4	-59.7	167.3	147.6	0	0	112.6
911	F	24.6	Very low	23	Very low	201 Å²	201	143 Å²	143	88%	0.882	78%	0.783	S	S	*	*			trans	-157.8	95.8	150.7	-92.2	-74.4	0	0	0	108.5	S909 P913	S909-F911 PolarHBondContact O-N 2.9Å; F911-P913 WeakPolarHBondContact O-CD 3.05Å
912	S	23.5	Very low	23.1	Very low	112 Å²	112	140.9 Å²	140.9	78%	0.783	78%	0.779	S	S	*	*			trans	-93.9	96	164.4	60.7	0	0	0	0	108.8	T914	S912-T914 PolarHBondContact O-N 2.78Å
913	P	23.8	Very low	23	Very low	104 Å²	104	144 Å²	144	68%	0.675	78%	0.784	S	S	*	*			trans	-68.4	116.7	164.4	29.2	-30.9	0	0	0	107	F911 T915	F911-P913 WeakPolarHBondContact O-CD 3.05Å; P913-T915 PolarHBondContact O-N 2.86Å; P913-T915 PolarHBondContact O-OG1 3.19Å
914	T	22.9	Very low	22.9	Very low	124 Å²	124	147 Å²	147	76%	0.761	78%	0.784	S	S	*	*			trans	-58.4	90.1	164	45.6	0	0	0	0	108.3	S912 L916	S912-T914 PolarHBondContact O-N 2.78Å; T914-L916 VanDerWaalsContact C-N 3.33Å; T914-L916 PolarHBondContact O-N 2.77Å
915	T	24.2	Very low	23	Very low	126 Å²	126	145.5 Å²	145.5	77%	0.773	79%	0.785	S	S	*	*			trans	-63.9	98	166.1	-36.6	0	0	0	0	106.3	P913 G917	P913-T915 PolarHBondContact O-N 2.86Å; P913-T915 PolarHBondContact O-OG1 3.19Å; T915-G917 PolarHBondContact O-N 2.95Å
916	L	22.2	Very low	22.8	Very low	161 Å²	161	143.4 Å²	143.4	84%	0.843	78%	0.78	S	S	*	*			trans	-64.5	72.9	160.1	-92.2	128	0	0	0	107.5	T914 L918	T914-L916 VanDerWaalsContact C-N 3.33Å; T914-L916 PolarHBondContact O-N 2.77Å; L916-L918 PolarHBondContact O-N 2.82Å; L916-L918 VanDerWaalsContact O-N 3.09Å
917	G	21.4	Very low	22.9	Very low	54 Å²	54	138.9 Å²	138.9	56%	0.557	77%	0.769	S	S	*	*			trans	-67.5	100.1	162.5	0	0	0	0	0	106.6	T915 I919	T915-G917 PolarHBondContact O-N 2.95Å; G917-I919 PolarHBondContact O-N 3.46Å; G917-I919 VanDerWaalsContact O-N 3.11Å
918	L	21.8	Very low	22.6	Very low	158 Å²	158	138.4 Å²	138.4	83%	0.827	77%	0.772	S	S	*	*			trans	-51.4	119.7	164.6	-81.5	160.8	0	0	0	107.6	L916 E920	L916-L918 PolarHBondContact O-N 2.82Å; L916-L918 VanDerWaalsContact O-N 3.09Å; L918-E920 PolarHBondContact O-N 3.45Å
919	I	22.3	Very low	22.7	Very low	132 Å²	132	133.3 Å²	133.3	68%	0.677	76%	0.758	S	S	*	*			trans	-58.2	135.9	-175.1	-56.8	166.5	0	0	0	108.2	G917 S921 S922	G917-I919 PolarHBondContact O-N 3.46Å; G917-I919 VanDerWaalsContact O-N 3.11Å; I919-S921 PolarHBondContact O-N 2.62Å; I919-S922 PolarHBondContact O-N 2.56Å; I919-S922 PolarHBondContact O-OG 2.74Å; I919-S922 VanDerWaalsContact O-OG 3.1Å
920	E	24.8	Very low	22.7	Very low	188 Å²	188	134.1 Å²	134.1	88%	0.879	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-52.5	-1.7	-176.9	-159	169.2	-173.8	0	0	114.9	L918 S922	L918-E920 PolarHBondContact O-N 3.45Å; E920-S922 PolarHBondContact O-N 3.22Å
921	S	23.5	Very low	22.9	Very low	101 Å²	101	130.2 Å²	130.2	71%	0.706	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-77	1.2	174.4	60	0	0	0	0	114.8	I919 Y923	I919-S921 PolarHBondContact O-N 2.62Å; S921-Y923 VanDerWaalsContact C-N 3.33Å; S921-Y923 PolarHBondContact O-N 2.89Å
922	S	22.2	Very low	23	Very low	90 Å²	90	128.9 Å²	128.9	63%	0.629	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-88.4	4.6	-174.7	-47.7	0	0	0	0	114.1	I919 E920	I919-S922 PolarHBondContact O-N 2.56Å; I919-S922 PolarHBondContact O-OG 2.74Å; I919-S922 VanDerWaalsContact O-OG 3.1Å; E920-S922 PolarHBondContact O-N 3.22Å
923	Y	19.6	Very low	23	Very low	200 Å²	200	128.6 Å²	128.6	78%	0.784	75%	0.749	S	S	*	*			trans	-117.8	59.6	-164.8	-133.9	-86.4	0	0	0	113.8	S921	S921-Y923 VanDerWaalsContact C-N 3.33Å; S921-Y923 PolarHBondContact O-N 2.89Å
924	Y	23.2	Very low	23.2	Very low	220 Å²	220	125.4 Å²	125.4	86%	0.863	74%	0.735	S	S	*	*			trans	-139.5	97.1	161.8	-79.9	-74.1	0	0	0	112.2
925	S	22.7	Very low	23.4	Very low	110 Å²	110	122.9 Å²	122.9	77%	0.769	72%	0.722	S	S	*	*			trans	-65.3	143.5	164.8	-57.3	0	0	0	0	111.9
926	L	22	Very low	23.5	Very low	152 Å²	152	121.5 Å²	121.5	80%	0.796	72%	0.724	S	S	*	*			trans	-142.9	110	155.7	-94.3	172.4	0	0	0	111.5
927	S	21.8	Very low	23.8	Very low	97 Å²	97	116.8 Å²	116.8	68%	0.678	70%	0.699	S	S	*	*			trans	-89.4	170.5	160.2	55.7	0	0	0	0	110.5
928	S	21.9	Very low	24.4	Very low	122 Å²	122	119.4 Å²	119.4	85%	0.853	70%	0.699	S	S	*	*	S	Bend	trans	-32.4	132.7	-175.7	53.6	0	0	0	0	119.3
929	G	22.6	Very low	24.7	Very low	57 Å²	57	116.2 Å²	116.2	59%	0.588	69%	0.688	S	S	*	*			trans	164.6	120.7	159.3	0	0	0	0	0	114.1
930	S	24.8	Very low	25.1	Very low	123 Å²	123	115.1 Å²	115.1	86%	0.86	68%	0.68	S	S	*	*	S	Bend	trans	-65.5	144.8	168.9	43.5	0	0	0	0	111.8
931	A	26	Very low	25.4	Very low	103 Å²	103	112.9 Å²	112.9	85%	0.851	67%	0.668	S	S	*	*	S	Bend	trans	94.8	-20.9	169.9	0	0	0	0	0	118.9
932	E	26.6	Very low	25.6	Very low	172 Å²	172	112.1 Å²	112.1	80%	0.804	66%	0.655	S	S	*	*	S	Bend	trans	-97.5	-4.8	-177.9	-71.8	178.9	173.6	0	0	115	G934 S935	E932-G934 PolarHBondContact O-N 3.04Å; E932-S935 PolarHBondContact O-OG 2.85Å
933	L	23.7	Very low	25.9	Very low	107 Å²	107	114.6 Å²	114.6	56%	0.56	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	8.8	176.8	-104.2	134.5	0	0	0	115.2	I937	L933-I937 HydrophobicContact CD2-CD1 4.35Å
934	G	26.2	Very low	26.4	Very low	37 Å²	37	109.5 Å²	109.5	38%	0.381	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.3	-16.6	174.4	0	0	0	0	0	114.6	R327 E932	R327-G934 PolarHBondContact NH1-O 3.33Å; R327-G934 PolarHBondContact NH2-O 2.92Å; R327-G934 VanDerWaalsContact NH2-O 3.11Å; E932-G934 PolarHBondContact O-N 3.04Å
935	S	26.9	Very low	26.8	Very low	70 Å²	70	101.6 Å²	101.6	49%	0.49	62%	0.616	S	S	.	*	S	Bend	trans	-91.2	-28.8	-167.8	55.8	0	0	0	0	115.2	R327 E932	R327-S935 PolarHBondContact NH1-O 3.39Å; E932-S935 PolarHBondContact O-OG 2.85Å
936	A	28.2	Very low	27.1	Very low	97 Å²	97	98 Å²	98	80%	0.802	59%	0.593	S	S	*	*	S	Bend	trans	-102.9	0.6	-173.7	0	0	0	0	0	115.6
937	I	27.7	Very low	27.6	Very low	63 Å²	63	93.1 Å²	93.1	32%	0.323	57%	0.572	S	S	.	*	S	Bend	trans	-99.8	113.6	177.2	-57.9	175.6	0	0	0	108.2	L933 K941 L942	L933-I937 HydrophobicContact CD2-CD1 4.35Å; I937-K941 HydrophobicContact CG2-CB 3.67Å; I937-L942 HydrophobicContact CB-CD1 4.08Å; I937-L942 HydrophobicContact CG2-CB 4.13Å; I937-L942 HydrophobicContact CG2-CD1 4.01Å; I937-L942 HydrophobicContact CG2-CG 3.96Å
938	L	33.3	Very low	28.2	Very low	108 Å²	108	92.3 Å²	92.3	57%	0.565	56%	0.558	S	S	*	*			trans	-46.3	133.8	168.6	-87.7	152.3	0	0	0	109.6	E940 K941 L942	L938-E940 PolarHBondContact O-N 3.33Å; L938-K941 WeakPolarHBondContact O-CA 3.4Å; L938-K941 PolarHBondContact O-N 3.26Å; L938-L942 PolarHBondContact O-N 3.14Å
939	P	28.6	Very low	29	Very low	92 Å²	92	89 Å²	89	60%	0.597	53%	0.53	S	S	*	.	H	α-helix	trans	-50.1	-31.6	177.8	-28	34.3	0	0	0	112.8	L942 F943	P939-L942 CarbonylContact O-C 3.58Å; P939-L942 WeakPolarHBondContact O-CB 3.45Å; P939-L942 PolarHBondContact O-N 3.04Å; P939-F943 WeakPolarHBondContact O-CA 3.48Å; P939-F943 WeakPolarHBondContact O-CB 3.37Å; P939-F943 PolarHBondContact O-N 3.21Å
940	E	31.2	Very low	29.7	Very low	109 Å²	109	93 Å²	93	51%	0.509	53%	0.534	S	S	.	.	H	α-helix	trans	-68.7	-37.4	175.2	-68.1	163	-179.1	0	0	113.4	L938 L942 F943 N944	L938-E940 PolarHBondContact O-N 3.33Å; E940-L942 VanDerWaalsContact C-N 3.32Å; E940-F943 PolarHBondContact O-N 3.13Å; E940-N944 VanDerWaalsContact O-CB 3.25Å; E940-N944 WeakPolarHBondContact O-CB 3.26Å; E940-N944 VanDerWaalsContact O-CG 3.27Å; E940-N944 PolarHBondContact O-N 2.85Å
941	K	31.4	Very low	30.3	Very low	141 Å²	141	93.5 Å²	93.5	61%	0.613	53%	0.526	S	S	*	.	H	α-helix	trans	-68.7	-36.2	170.8	-79	-172.6	177.8	178.5	0	110.6	I937 L938 V945	I937-K941 HydrophobicContact CG2-CB 3.67Å; L938-K941 WeakPolarHBondContact O-CA 3.4Å; L938-K941 PolarHBondContact O-N 3.26Å; K941-V945 VanDerWaalsContact O-CB 3.22Å; K941-V945 WeakPolarHBondContact O-CB 3.46Å; K941-V945 WeakPolarHBondContact O-CG2 3.25Å; K941-V945 PolarHBondContact O-N 2.75Å
942	L	27.8	Very low	31.4	Very low	85 Å²	85	89.3 Å²	89.3	45%	0.445	49%	0.489	S	S	.	.	H	α-helix	trans	-66.5	-38.7	173.1	-117.9	151.7	0	0	0	111.6	I937 L938 P939 E940 A946	I937-L942 HydrophobicContact CB-CD1 4.08Å; I937-L942 HydrophobicContact CG2-CB 4.13Å; I937-L942 HydrophobicContact CG2-CD1 4.01Å; I937-L942 HydrophobicContact CG2-CG 3.96Å; L938-L942 PolarHBondContact O-N 3.14Å; P939-L942 CarbonylContact O-C 3.58Å; P939-L942 WeakPolarHBondContact O-CB 3.45Å; P939-L942 PolarHBondContact O-N 3.04Å; E940-L942 VanDerWaalsContact C-N 3.32Å; L942-A946 WeakPolarHBondContact O-CB 3.38Å; L942-A946 PolarHBondContact O-N 3.09Å
943	F	27.6	Very low	32.5	Very low	142 Å²	142	84.5 Å²	84.5	62%	0.623	47%	0.467	S	S	*	.	H	α-helix	trans	-76	-39.4	179.7	-162.2	-89.4	0	0	0	111.4	P939 E940 A946 S947	P939-F943 WeakPolarHBondContact O-CA 3.48Å; P939-F943 WeakPolarHBondContact O-CB 3.37Å; P939-F943 PolarHBondContact O-N 3.21Å; E940-F943 PolarHBondContact O-N 3.13Å; F943-A946 PolarHBondContact O-N 2.95Å; F943-S947 WeakPolarHBondContact O-CA 3.42Å; F943-S947 WeakPolarHBondContact O-CB 3.41Å; F943-S947 PolarHBondContact O-N 2.89Å
944	N	30.1	Very low	33.8	Very low	92 Å²	92	83.8 Å²	83.8	49%	0.492	47%	0.468	S	S	.	.	H	α-helix	trans	-66.7	-41	172.3	-74.6	-11.7	0	0	0	110.5	E940 M948	E940-N944 VanDerWaalsContact O-CB 3.25Å; E940-N944 WeakPolarHBondContact O-CB 3.26Å; E940-N944 VanDerWaalsContact O-CG 3.27Å; E940-N944 PolarHBondContact O-N 2.85Å; N944-M948 WeakPolarHBondContact O-CB 3.35Å; N944-M948 WeakPolarHBondContact O-CG 3.14Å; N944-M948 PolarHBondContact O-N 3.36Å
945	V	32.2	Very low	35.2	Very low	54 Å²	54	86.3 Å²	86.3	33%	0.327	47%	0.469	S	S	.	.	H	α-helix	trans	-65.1	-40.2	172.5	172.4	0	0	0	0	111.1	K941 N949 I1074	K941-V945 VanDerWaalsContact O-CB 3.22Å; K941-V945 WeakPolarHBondContact O-CB 3.46Å; K941-V945 WeakPolarHBondContact O-CG2 3.25Å; K941-V945 PolarHBondContact O-N 2.75Å; V945-N949 WeakPolarHBondContact O-CA 3.33Å; V945-N949 WeakPolarHBondContact O-CB 3.38Å; V945-N949 PolarHBondContact O-N 2.89Å; V945-N949 PolarHBondContact O-ND2 3.46Å; V945-I1074 HydrophobicContact CG1-CG2 4.35Å; V945-I1074 HydrophobicContact CG2-CG2 3.96Å
946	A	28.7	Very low	36.9	Very low	36 Å²	36	83.2 Å²	83.2	30%	0.298	45%	0.446	S	S	.	.	H	α-helix	trans	-70	-54.5	177.5	0	0	0	0	0	112.1	L942 F943 M948 N949 H950	L942-A946 WeakPolarHBondContact O-CB 3.38Å; L942-A946 PolarHBondContact O-N 3.09Å; F943-A946 PolarHBondContact O-N 2.95Å; A946-M948 PolarHBondContact O-N 2.78Å; A946-N949 CarbonylContact O-C 3.6Å; A946-N949 WeakPolarHBondContact O-CA 3.46Å; A946-N949 WeakPolarHBondContact O-CB 3.26Å; A946-N949 PolarHBondContact O-N 3.07Å; A946-N949 VanDerWaalsContact O-N 3.13Å; A946-H950 VanDerWaalsContact C-CD2 3.47Å; A946-H950 PolarHBondContact O-CD2 3.42Å; A946-H950 PolarHBondContact O-N 2.84Å; A946-H950 PolarHBondContact O-NE2 3.5Å
947	S	31.5	Very low	38.4	Very low	49 Å²	49	82.4 Å²	82.4	34%	0.343	43%	0.425	S	S	.	.	H	α-helix	trans	-55.9	-46.6	178.1	-172.8	0	0	0	0	111.7	F943 H950 L951	F943-S947 WeakPolarHBondContact O-CA 3.42Å; F943-S947 WeakPolarHBondContact O-CB 3.41Å; F943-S947 PolarHBondContact O-N 2.89Å; S947-H950 WeakPolarHBondContact O-CB 3.23Å; S947-H950 PolarHBondContact O-N 3.13Å; S947-L951 PolarHBondContact O-N 2.98Å
948	M	35.4	Very low	40.1	Very low	80 Å²	80	81.2 Å²	81.2	39%	0.394	42%	0.422	S	S	.	.	H	α-helix	trans	-75	-33.1	174.1	-72.1	-143.1	66.9	0	0	113.5	N944 A946 H950 L951 L952 L1076	N944-M948 WeakPolarHBondContact O-CB 3.35Å; N944-M948 WeakPolarHBondContact O-CG 3.14Å; N944-M948 PolarHBondContact O-N 3.36Å; A946-M948 PolarHBondContact O-N 2.78Å; M948-H950 PolarHBondContact O-N 3.23Å; M948-L951 PolarHBondContact O-N 3.35Å; M948-L952 WeakPolarHBondContact O-CG 3.38Å; M948-L952 PolarHBondContact O-N 2.85Å; M948-L1076 HydrophobicContact CB-CD1 3.96Å; M948-L1076 HydrophobicContact CE-CD1 3.38Å; M948-L1076 HydrophobicContact CG-CD1 4.49Å; M948-L1076 HydrophobicContact SD-CB 4.38Å; M948-L1076 HydrophobicContact SD-CD1 3.68Å
949	N	38.8	Very low	42.1	Very low	51 Å²	51	77.6 Å²	77.6	27%	0.273	40%	0.403	S	S	.	.	H	α-helix	trans	-55.3	-40.1	168.2	-87	-33.6	0	0	0	109.5	V945 A946 L951 L952 K957	V945-N949 WeakPolarHBondContact O-CA 3.33Å; V945-N949 WeakPolarHBondContact O-CB 3.38Å; V945-N949 PolarHBondContact O-N 2.89Å; V945-N949 PolarHBondContact O-ND2 3.46Å; A946-N949 CarbonylContact O-C 3.6Å; A946-N949 WeakPolarHBondContact O-CA 3.46Å; A946-N949 WeakPolarHBondContact O-CB 3.26Å; A946-N949 PolarHBondContact O-N 3.07Å; A946-N949 VanDerWaalsContact O-N 3.13Å; N949-L951 VanDerWaalsContact C-N 3.32Å; N949-L951 PolarHBondContact O-N 2.87Å; N949-L952 PolarHBondContact O-N 3.08Å; N949-K957 WeakPolarHBondContact O-CE 3.47Å; N949-K957 PolarHBondContact O-NZ 3.44Å
950	H	37	Very low	44.4	Very low	143 Å²	143	73.6 Å²	73.6	66%	0.662	38%	0.377	S	S	*	.	H	α-helix	trans	-64.3	-33.5	176.4	-61.4	-61.1	0	0	0	113.6	A946 S947 M948	A946-H950 VanDerWaalsContact C-CD2 3.47Å; A946-H950 PolarHBondContact O-CD2 3.42Å; A946-H950 PolarHBondContact O-N 2.84Å; A946-H950 PolarHBondContact O-NE2 3.5Å; S947-H950 WeakPolarHBondContact O-CB 3.23Å; S947-H950 PolarHBondContact O-N 3.13Å; M948-H950 PolarHBondContact O-N 3.23Å
951	L	38.1	Very low	46.8	Very low	133 Å²	133	68.6 Å²	68.6	70%	0.696	35%	0.354	S	S	*	.	H	α-helix	trans	-81.5	-23	-179.4	-66	170.7	0	0	0	114.5	S947 M948 N949	S947-L951 PolarHBondContact O-N 2.98Å; M948-L951 PolarHBondContact O-N 3.35Å; N949-L951 VanDerWaalsContact C-N 3.32Å; N949-L951 PolarHBondContact O-N 2.87Å
952	L	48.6	Very low	49.1	Very low	15 Å²	15	63.6 Å²	63.6	8%	0.079	34%	0.336	C	S	.	.	S	Bend	trans	-65.6	136.2	177.5	-78.3	173	0	0	0	111.3	M948 N949 F956 K957 L1076	M948-L952 WeakPolarHBondContact O-CG 3.38Å; M948-L952 PolarHBondContact O-N 2.85Å; N949-L952 PolarHBondContact O-N 3.08Å; L952-F956 HydrophobicContact CB-CB 4.16Å; L952-F956 HydrophobicContact CD2-CB 4.12Å; L952-F956 HydrophobicContact CD2-CD2 3.96Å; L952-F956 HydrophobicContact CD2-CG 4.34Å; L952-K957 HydrophobicContact CB-CG 4.41Å; L952-L1076 HydrophobicContact CD1-CD1 4.09Å; L952-L1076 HydrophobicContact CD2-CD1 4.04Å; L952-L1076 HydrophobicContact CD2-CD2 4.4Å; L952-L1076 HydrophobicContact CG-CD1 4.15Å
953	H	50.4	Low	51.6	Low	71 Å²	71	62 Å²	62	33%	0.329	32%	0.324	S	S	.	.			trans	-45.1	135.8	169.2	-172.4	-103.8	0	0	0	109.8	K955 F956 K957	H953-K955 PolarHBondContact O-N 3.2Å; H953-F956 HydrophobicContact CB-CD2 3.39Å; H953-F956 HydrophobicContact CB-CE2 3.71Å; H953-F956 HydrophobicContact CB-CG 4.21Å; H953-F956 WeakPolarHBondContact O-CA 3.5Å; H953-F956 WeakPolarHBondContact O-CB 3.35Å; H953-F956 PolarHBondContact O-N 3.36Å; H953-K957 PolarHBondContact O-N 2.82Å
954	P	50.1	Low	54.1	Low	92 Å²	92	62 Å²	62	60%	0.597	33%	0.331	S	S	*	.	H	α-helix	trans	-53.1	-33.9	-173	-27.7	33.9	0	0	0	114	K957	P954-K957 WeakPolarHBondContact O-CB 3.36Å; P954-K957 PolarHBondContact O-N 3.36Å
955	K	56.4	Low	56.7	Low	89 Å²	89	64 Å²	64	39%	0.387	33%	0.331	S	S	.	.	H	α-helix	trans	-71.3	-26.3	175.8	-62.5	179.8	-174	164.7	0	113.4	H953 S958 V1059 E1060	H953-K955 PolarHBondContact O-N 3.2Å; K955-S958 PolarHBondContact O-OG 3.11Å; K955-V1059 HydrophobicContact CB-CG1 3.28Å; K955-V1059 HydrophobicContact CD-CG1 3.4Å; K955-V1059 VanDerWaalsContact CD-CG1 3.4Å; K955-V1059 HydrophobicContact CG-CG1 3.98Å; K955-E1060 IonicContact NZ-OE1 3.61Å; K955-E1060 PolarHBondContact NZ-OE1 3.41Å
956	F	62.1	Low	59.3	Low	5 Å²	5	62.3 Å²	62.3	2%	0.022	32%	0.32	C	S	.	.	H	α-helix	trans	-68.8	-35.6	172.1	-69.2	-47.7	0	0	0	111.8	L952 H953 S958 L959 C960 A1055 E1056 V1059 L1069 V1072	L952-F956 HydrophobicContact CB-CB 4.16Å; L952-F956 HydrophobicContact CD2-CB 4.12Å; L952-F956 HydrophobicContact CD2-CD2 3.96Å; L952-F956 HydrophobicContact CD2-CG 4.34Å; H953-F956 HydrophobicContact CB-CD2 3.39Å; H953-F956 HydrophobicContact CB-CE2 3.71Å; H953-F956 HydrophobicContact CB-CG 4.21Å; H953-F956 WeakPolarHBondContact O-CA 3.5Å; H953-F956 WeakPolarHBondContact O-CB 3.35Å; H953-F956 PolarHBondContact O-N 3.36Å; F956-S958 PolarHBondContact O-N 3.12Å; F956-L959 CarbonylContact O-C 3.58Å; F956-L959 WeakPolarHBondContact O-CA 3.11Å; F956-L959 PolarHBondContact O-N 3.33Å; F956-C960 PolarHBondContact O-N 3.05Å; F956-C960 VanDerWaalsContact O-N 3.1Å; F956-C960 PolarHBondContact O-SG 3.49Å; F956-A1055 HydrophobicContact CE1-CB 3.55Å; F956-A1055 WeakPolarHBondContact CE1-O 3.29Å; F956-A1055 VanDerWaalsContact CZ-C 3.42Å; F956-A1055 HydrophobicContact CZ-CB 3.56Å; F956-E1056 HydrophobicContact CE2-CG 3.69Å; F956-E1056 HydrophobicContact CZ-CB 4.21Å; F956-E1056 HydrophobicContact CZ-CG 3.66Å; F956-V1059 HydrophobicContact CD1-CG2 3.51Å; F956-V1059 HydrophobicContact CE1-CB 4.3Å; F956-V1059 HydrophobicContact CE1-CG2 3.3Å; F956-V1059 HydrophobicContact CZ-CG2 4.3Å; F956-L1069 HydrophobicContact CE1-CD2 4.37Å; F956-V1072 HydrophobicContact CD1-CG2 3.63Å; F956-V1072 HydrophobicContact CE1-CG2 4.06Å; F956-V1072 HydrophobicContact CG-CG2 4.4Å
957	K	59.4	Low	62	Low	80 Å²	80	64.3 Å²	64.3	35%	0.348	33%	0.329	S	S	.	.	H	α-helix	trans	-55.8	-36.7	178.7	-64.8	173.5	172.3	162.2	0	112.1	N949 L952 H953 P954 L959 R995	N949-K957 WeakPolarHBondContact O-CE 3.47Å; N949-K957 PolarHBondContact O-NZ 3.44Å; L952-K957 HydrophobicContact CB-CG 4.41Å; H953-K957 PolarHBondContact O-N 2.82Å; P954-K957 WeakPolarHBondContact O-CB 3.36Å; P954-K957 PolarHBondContact O-N 3.36Å; K957-L959 VanDerWaalsContact C-N 3.27Å; K957-L959 PolarHBondContact O-N 3.26Å; K957-R995 PolarHBondContact O-NH1 3.08Å; K957-R995 VanDerWaalsContact O-NH1 3.08Å
958	S	64.1	Low	64.7	Low	38 Å²	38	67 Å²	67	27%	0.266	34%	0.336	S	S	.	.	H	α-helix	trans	-74.7	-16.4	176.7	61.1	0	0	0	0	113.6	K955 F956 R995	K955-S958 PolarHBondContact O-OG 3.11Å; F956-S958 PolarHBondContact O-N 3.12Å; S958-R995 WeakPolarHBondContact O-CD 3.09Å
959	L	74.5	Confident	67.1	Low	32 Å²	32	65.6 Å²	65.6	17%	0.168	33%	0.329	C	S	.	.	H	α-helix	trans	-107.4	2.7	-176.2	-68.7	172	0	0	0	113.9	F956 K957 Y961 V1059 L1069 G1071 V1072	F956-L959 CarbonylContact O-C 3.58Å; F956-L959 WeakPolarHBondContact O-CA 3.11Å; F956-L959 PolarHBondContact O-N 3.33Å; K957-L959 VanDerWaalsContact C-N 3.27Å; K957-L959 PolarHBondContact O-N 3.26Å; L959-Y961 PolarHBondContact O-N 3.12Å; L959-V1059 HydrophobicContact CD1-CG2 3.71Å; L959-L1069 HydrophobicContact CD1-CD2 4.38Å; L959-G1071 CarbonylContact O-C 3.58Å; L959-G1071 WeakPolarHBondContact O-CA 3.35Å; L959-V1072 PolarHBondContact O-N 3.05Å
960	C	77.2	Confident	69.3	Low	8 Å²	8	66.5 Å²	66.5	5%	0.054	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	128.1	-179.3	-58.3	0	0	0	0	112.9	F956 R995 V1072 I1074	F956-C960 PolarHBondContact O-N 3.05Å; F956-C960 VanDerWaalsContact O-N 3.1Å; F956-C960 PolarHBondContact O-SG 3.49Å; C960-R995 PolarHBondContact O-NH1 3.19Å; C960-V1072 CarbonylContact C-O 3.57Å; C960-V1072 VanDerWaalsContact CA-O 3.26Å; C960-V1072 WeakPolarHBondContact CA-O 3.06Å; C960-I1074 HydrophobicContact CB-CD1 3.42Å; C960-I1074 VanDerWaalsContact CB-CD1 3.42Å; C960-I1074 HydrophobicContact CB-CG1 3.95Å
961	Y	81.8	Confident	71.6	Confident	4 Å²	4	62.9 Å²	62.9	2%	0.016	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	135.1	177.7	-168.4	-85.8	0	0	0	111.3	L959 R963 R965 L966 P986 L988 L991 V1072 C1073 I1074 L1082	L959-Y961 PolarHBondContact O-N 3.12Å; Y961-R963 PolarHBondContact O-N 3.4Å; Y961-R965 HydrophobicContact CE1-CB 3.88Å; Y961-L966 HydrophobicContact CD1-CD2 3.83Å; Y961-L966 HydrophobicContact CD1-CG 4.07Å; Y961-L966 HydrophobicContact CE1-CD2 3.38Å; Y961-L966 HydrophobicContact CE1-CG 3.78Å; Y961-P986 WeakPolarHBondContact OH-CD 3.37Å; Y961-P986 PolarHBondContact OH-O 3.11Å; Y961-L988 HydrophobicContact CD2-CD1 3.48Å; Y961-L988 VanDerWaalsContact CD2-CD1 3.48Å; Y961-L988 HydrophobicContact CE2-CB 4.25Å; Y961-L988 HydrophobicContact CE2-CD1 3.79Å; Y961-L988 HydrophobicContact CG-CD1 4.34Å; Y961-L991 HydrophobicContact CD2-CD1 3.7Å; Y961-L991 HydrophobicContact CE2-CD1 3.61Å; Y961-V1072 PolarHBondContact N-O 3.04Å; Y961-C1073 CarbonylContact O-C 3.53Å; Y961-C1073 WeakPolarHBondContact O-CA 3.09Å; Y961-I1074 PolarHBondContact O-N 3.45Å; Y961-L1082 HydrophobicContact CD1-CD1 3.62Å; Y961-L1082 HydrophobicContact CD2-CD1 4.25Å; Y961-L1082 HydrophobicContact CE1-CD1 4.38Å; Y961-L1082 HydrophobicContact CG-CD1 3.55Å
962	P	79.2	Confident	73.7	Confident	37 Å²	37	59 Å²	59	24%	0.24	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	120.2	-179.8	29.6	-34.9	0	0	0	111.6	N964 R965	P962-N964 VanDerWaalsContact C-N 3.27Å; P962-N964 WeakPolarHBondContact CB-OD1 3.45Å; P962-N964 PolarHBondContact O-N 3.43Å; P962-R965 HydrophobicContact CB-CG 4.35Å; P962-R965 HydrophobicContact CG-CB 4.14Å; P962-R965 HydrophobicContact CG-CG 3.73Å; P962-R965 PolarHBondContact O-N 3.14Å; P962-R965 VanDerWaalsContact O-N 3.09Å
963	R	81	Confident	75.2	Confident	50 Å²	50	59.6 Å²	59.6	19%	0.189	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-57.2	-38.9	-175.7	-172	-177.6	172.3	76.9	20.4	112.6	Y961 R965 L966 E968 M1038 C1073 I1074 S1080	Y961-R963 PolarHBondContact O-N 3.4Å; R963-R965 PolarHBondContact O-N 3.36Å; R963-R965 VanDerWaalsContact O-N 3.14Å; R963-L966 WeakPolarHBondContact O-CB 3.43Å; R963-L966 PolarHBondContact O-N 3.14Å; R963-E968 IonicContact NH2-OE1 2.95Å; R963-E968 PolarHBondContact NH2-OE1 3.06Å; R963-E968 VanDerWaalsContact NH2-OE1 3.07Å; R963-M1038 PolarHBondContact NH1-SD 3.26Å; R963-M1038 PolarHBondContact NH2-SD 2.97Å; R963-C1073 HydrophobicContact CB-CB 4.07Å; R963-C1073 HydrophobicContact CG-CB 4.47Å; R963-I1074 WeakPolarHBondContact CB-O 3.5Å; R963-I1074 PolarHBondContact N-O 2.8Å; R963-S1080 PolarHBondContact NH1-OG 2.88Å
964	N	79.9	Confident	76.3	Confident	143 Å²	143	63.1 Å²	63.1	77%	0.765	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-68	-7.3	-179.4	67.9	-22.7	0	0	0	114.8	P962	P962-N964 VanDerWaalsContact C-N 3.27Å; P962-N964 WeakPolarHBondContact CB-OD1 3.45Å; P962-N964 PolarHBondContact O-N 3.43Å
965	R	83.4	Confident	77.1	Confident	134 Å²	134	62.2 Å²	62.2	51%	0.506	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-91	-10.9	171.1	-67.8	-165.1	-179.9	179.4	-4.6	113.5	Y961 P962 R963 P986	Y961-R965 HydrophobicContact CE1-CB 3.88Å; P962-R965 HydrophobicContact CB-CG 4.35Å; P962-R965 HydrophobicContact CG-CB 4.14Å; P962-R965 HydrophobicContact CG-CG 3.73Å; P962-R965 PolarHBondContact O-N 3.14Å; P962-R965 VanDerWaalsContact O-N 3.09Å; R963-R965 PolarHBondContact O-N 3.36Å; R963-R965 VanDerWaalsContact O-N 3.14Å; R965-P986 VanDerWaalsContact O-CD 3.31Å; R965-P986 WeakPolarHBondContact O-CD 3.48Å
966	L	86.8	Confident	77.4	Confident	19 Å²	19	62.3 Å²	62.3	10%	0.099	32%	0.322	C	S	.	.			trans	-74.8	132.8	176.7	-61.8	174.2	0	0	0	109.3	Y961 R963 V983 A985 L1036 L1082	Y961-L966 HydrophobicContact CD1-CD2 3.83Å; Y961-L966 HydrophobicContact CD1-CG 4.07Å; Y961-L966 HydrophobicContact CE1-CD2 3.38Å; Y961-L966 HydrophobicContact CE1-CG 3.78Å; R963-L966 WeakPolarHBondContact O-CB 3.43Å; R963-L966 PolarHBondContact O-N 3.14Å; L966-V983 HydrophobicContact CD2-CB 4.46Å; L966-V983 HydrophobicContact CD2-CG2 4.09Å; L966-A985 HydrophobicContact CD2-CB 3.64Å; L966-L1036 HydrophobicContact CD1-CD1 3.74Å; L966-L1036 HydrophobicContact CD1-CD2 3.96Å; L966-L1036 HydrophobicContact CD1-CG 4.38Å; L966-L1082 HydrophobicContact CD1-CD1 4.42Å; L966-L1082 HydrophobicContact CD1-CD2 3.82Å; L966-L1082 HydrophobicContact CD1-CG 4.42Å; L966-L1082 HydrophobicContact CD2-CD1 3.96Å; L966-L1082 HydrophobicContact CD2-CD2 3.71Å; L966-L1082 HydrophobicContact CD2-CG 4.45Å; L966-L1082 HydrophobicContact CG-CD2 4.44Å
967	V	86.7	Confident	77.7	Confident	78 Å²	78	65.8 Å²	65.8	47%	0.473	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	109.3	168.7	-179.2	0	0	0	0	106.8	I969 V983 H984	V967-I969 PolarHBondContact O-N 3.27Å; V967-V983 CarbonylContact O-C 3.58Å; V967-V983 WeakPolarHBondContact O-CA 3.46Å; V967-H984 HydrophobicContact CB-CB 4.2Å; V967-H984 PolarHBondContact N-O 3.47Å; V967-H984 PolarHBondContact O-N 3.37Å
968	E	87.7	Confident	78.8	Confident	104 Å²	104	62 Å²	62	49%	0.486	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	120.8	177.3	-62.6	-173.6	-174.9	0	0	109.5	R963 I981 V983	R963-E968 IonicContact NH2-OE1 2.95Å; R963-E968 PolarHBondContact NH2-OE1 3.06Å; R963-E968 VanDerWaalsContact NH2-OE1 3.07Å; E968-I981 HydrophobicContact CB-CG2 3.98Å; E968-I981 HydrophobicContact CG-CG2 4.02Å; E968-V983 HydrophobicContact CG-CG1 4.14Å
969	I	86.7	Confident	79.9	Confident	51 Å²	51	64 Å²	64	26%	0.262	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-51.7	-179.1	-57	-179.7	0	0	0	109.2	V967 L982 H984 I1116	V967-I969 PolarHBondContact O-N 3.27Å; I969-L982 HydrophobicContact CB-CB 4.43Å; I969-L982 HydrophobicContact CB-CD2 4.3Å; I969-L982 HydrophobicContact CB-CG 4.29Å; I969-L982 WeakPolarHBondContact CB-O 3.33Å; I969-L982 HydrophobicContact CD1-CD2 4.28Å; I969-L982 HydrophobicContact CD1-CG 4.19Å; I969-L982 HydrophobicContact CG2-CD2 4.2Å; I969-L982 PolarHBondContact N-O 2.97Å; I969-H984 HydrophobicContact CD1-CB 4.15Å; I969-H984 HydrophobicContact CG1-CB 4.4Å; I969-I1116 HydrophobicContact CG2-CD1 3.84Å
970	R	83.8	Confident	80.7	Confident	71 Å²	71	63.8 Å²	63.8	27%	0.268	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	154.8	178.8	62.3	-173.7	-167.9	138.1	10.5	112.1	L972 I981 L982 G1110	R970-L972 HydrophobicContact CG-CD2 4.3Å; R970-I981 WeakPolarHBondContact O-CG2 3.35Å; R970-L982 HydrophobicContact CG-CB 4.03Å; R970-L982 HydrophobicContact CG-CD2 4.27Å; R970-L982 PolarHBondContact N-O 3.38Å; R970-L982 PolarHBondContact O-N 3.03Å; R970-G1110 VanDerWaalsContact CZ-O 3.25Å; R970-G1110 PolarHBondContact NH1-O 3.49Å; R970-G1110 PolarHBondContact NH2-O 3.19Å
971	C	86.6	Confident	81.4	Confident	66 Å²	66	63.9 Å²	63.9	45%	0.446	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	125.5	166.9	-172.1	0	0	0	0	110.1	A973	C971-A973 PolarHBondContact SG-O 3.44Å; C971-A973 VanDerWaalsContact SG-O 3.41Å
972	L	82.5	Confident	81.9	Confident	53 Å²	53	64 Å²	64	28%	0.277	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-38	174.9	-63.4	178.2	0	0	0	111.6	R970 I980 L982 V1035 Y1085	R970-L972 HydrophobicContact CG-CD2 4.3Å; L972-I980 HydrophobicContact CB-CG2 4.19Å; L972-I980 HydrophobicContact CD1-CG2 4.37Å; L972-I980 PolarHBondContact N-O 2.78Å; L972-L982 HydrophobicContact CD1-CB 4.05Å; L972-L982 HydrophobicContact CD1-CD1 4.47Å; L972-L982 HydrophobicContact CD2-CB 4.03Å; L972-L982 HydrophobicContact CG-CB 3.92Å; L972-V1035 HydrophobicContact CD1-CG2 3.95Å; L972-Y1085 HydrophobicContact CD1-CD2 4.4Å; L972-Y1085 HydrophobicContact CD1-CE2 4.1Å
973	A	78.1	Confident	82.6	Confident	26 Å²	26	62.3 Å²	62.3	22%	0.215	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	147.2	176.9	0	0	0	0	0	111.4	C971 I980	C971-A973 PolarHBondContact SG-O 3.44Å; C971-A973 VanDerWaalsContact SG-O 3.41Å; A973-I980 HydrophobicContact CB-CB 4.25Å; A973-I980 HydrophobicContact CB-CD1 4.36Å; A973-I980 PolarHBondContact N-O 3.37Å; A973-I980 PolarHBondContact O-N 3.35Å
974	K	74.3	Confident	83.1	Confident	146 Å²	146	60.8 Å²	60.8	64%	0.635	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	112.1	166.1	-173.1	-179.8	-177.4	179.2	0	108	W979	K974-W979 HydrophobicContact CB-CE3 4.37Å; K974-W979 HydrophobicContact CB-CZ3 4.46Å; K974-W979 HydrophobicContact CD-CE3 4.3Å; K974-W979 HydrophobicContact CD-CH2 3.79Å; K974-W979 HydrophobicContact CD-CZ2 4.35Å; K974-W979 HydrophobicContact CD-CZ3 3.74Å; K974-W979 HydrophobicContact CG-CD2 4.47Å; K974-W979 HydrophobicContact CG-CE3 4.08Å; K974-W979 HydrophobicContact CG-CH2 4.37Å; K974-W979 HydrophobicContact CG-CZ3 4.04Å
975	R	67.1	Low	83.5	Confident	72 Å²	72	54 Å²	54	27%	0.272	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	162.9	176.6	-66.4	-169.1	175.9	-179.2	-0.8	109.4	F977 G978 I980 D1189	R975-F977 HydrophobicContact CB-CD1 4.19Å; R975-F977 HydrophobicContact CB-CD2 4.43Å; R975-F977 HydrophobicContact CB-CE1 3.88Å; R975-F977 HydrophobicContact CB-CE2 4.12Å; R975-F977 HydrophobicContact CB-CG 4.48Å; R975-F977 HydrophobicContact CB-CZ 3.87Å; R975-F977 HydrophobicContact CG-CE1 4.48Å; R975-F977 HydrophobicContact CG-CZ 4.21Å; R975-F977 PolarHBondContact O-N 2.92Å; R975-F977 VanDerWaalsContact O-N 3.08Å; R975-G978 PolarHBondContact N-O 3.01Å; R975-G978 PolarHBondContact O-N 3.31Å; R975-I980 HydrophobicContact CG-CD1 4.48Å; R975-D1189 IonicContact NH1-OD2 2.75Å; R975-D1189 PolarHBondContact NH1-OD2 2.9Å
976	A	62.7	Low	83.5	Confident	91 Å²	91	49 Å²	49	75%	0.752	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.7	-179.5	0	0	0	0	0	113.5
977	F	68.7	Low	83	Confident	79 Å²	79	51.1 Å²	51.1	35%	0.346	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	0.6	-179.1	51.9	-95.9	0	0	0	114.2	R975 I1039 Q1040	R975-F977 HydrophobicContact CB-CD1 4.19Å; R975-F977 HydrophobicContact CB-CD2 4.43Å; R975-F977 HydrophobicContact CB-CE1 3.88Å; R975-F977 HydrophobicContact CB-CE2 4.12Å; R975-F977 HydrophobicContact CB-CG 4.48Å; R975-F977 HydrophobicContact CB-CZ 3.87Å; R975-F977 HydrophobicContact CG-CE1 4.48Å; R975-F977 HydrophobicContact CG-CZ 4.21Å; R975-F977 PolarHBondContact O-N 2.92Å; R975-F977 VanDerWaalsContact O-N 3.08Å; F977-I1039 CarbonylContact O-C 3.54Å; F977-I1039 WeakPolarHBondContact O-CA 3.42Å; F977-I1039 WeakPolarHBondContact O-CG1 3.31Å; F977-Q1040 PolarHBondContact O-N 3.41Å
978	G	82.2	Confident	82.5	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.4	-150.6	176	0	0	0	0	0	115.7	R975 M1038	R975-G978 PolarHBondContact N-O 3.01Å; R975-G978 PolarHBondContact O-N 3.31Å; G978-M1038 CarbonylContact C-O 3.58Å; G978-M1038 VanDerWaalsContact CA-O 3.28Å; G978-M1038 WeakPolarHBondContact CA-O 3.4Å
979	W	87.1	Confident	81.6	Confident	80 Å²	80	46.5 Å²	46.5	30%	0.303	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.7	-164.1	-52.3	81.7	0	0	0	111.1	K974 I981 M1038	K974-W979 HydrophobicContact CB-CE3 4.37Å; K974-W979 HydrophobicContact CB-CZ3 4.46Å; K974-W979 HydrophobicContact CD-CE3 4.3Å; K974-W979 HydrophobicContact CD-CH2 3.79Å; K974-W979 HydrophobicContact CD-CZ2 4.35Å; K974-W979 HydrophobicContact CD-CZ3 3.74Å; K974-W979 HydrophobicContact CG-CD2 4.47Å; K974-W979 HydrophobicContact CG-CE3 4.08Å; K974-W979 HydrophobicContact CG-CH2 4.37Å; K974-W979 HydrophobicContact CG-CZ3 4.04Å; W979-I981 HydrophobicContact CB-CD1 4.23Å; W979-I981 HydrophobicContact CB-CG1 4.09Å; W979-M1038 HydrophobicContact CB-CB 4.37Å; W979-M1038 HydrophobicContact CB-CE 3.65Å; W979-M1038 HydrophobicContact CG-CE 3.86Å; W979-M1038 PolarHBondContact N-O 2.86Å; W979-M1038 PolarHBondContact O-N 3.47Å
980	I	90.7	Very high	80.4	Confident	27 Å²	27	48 Å²	48	14%	0.138	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	111.2	169.8	-57.3	-176.6	0	0	0	106.5	L972 A973 R975 V1035	L972-I980 HydrophobicContact CB-CG2 4.19Å; L972-I980 HydrophobicContact CD1-CG2 4.37Å; L972-I980 PolarHBondContact N-O 2.78Å; A973-I980 HydrophobicContact CB-CB 4.25Å; A973-I980 HydrophobicContact CB-CD1 4.36Å; A973-I980 PolarHBondContact N-O 3.37Å; A973-I980 PolarHBondContact O-N 3.35Å; R975-I980 HydrophobicContact CG-CD1 4.48Å; I980-V1035 HydrophobicContact CG2-CG1 3.45Å; I980-V1035 VanDerWaalsContact CG2-CG1 3.45Å
981	I	91.8	Very high	79	Confident	9 Å²	9	46.5 Å²	46.5	5%	0.046	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.1	-172.6	-54.4	-177.3	0	0	0	108.9	E968 R970 W979 V983 V1035 L1036 M1038	E968-I981 HydrophobicContact CB-CG2 3.98Å; E968-I981 HydrophobicContact CG-CG2 4.02Å; R970-I981 WeakPolarHBondContact O-CG2 3.35Å; W979-I981 HydrophobicContact CB-CD1 4.23Å; W979-I981 HydrophobicContact CB-CG1 4.09Å; I981-V983 HydrophobicContact CB-CG1 4.33Å; I981-V983 HydrophobicContact CG2-CG1 3.9Å; I981-V1035 CarbonylContact O-C 3.55Å; I981-V1035 WeakPolarHBondContact O-CA 3.07Å; I981-L1036 HydrophobicContact CB-CB 4.3Å; I981-L1036 PolarHBondContact N-O 3.4Å; I981-L1036 PolarHBondContact O-N 2.97Å; I981-M1038 HydrophobicContact CD1-CE 3.37Å; I981-M1038 HydrophobicContact CD1-SD 4.13Å; I981-M1038 HydrophobicContact CG1-CE 4.31Å
982	L	93.8	Very high	77.5	Confident	8 Å²	8	45.4 Å²	45.4	4%	0.042	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	125.5	168	-175.2	67.5	0	0	0	108.3	I969 R970 L972 I1033 V1035 Y1085	I969-L982 HydrophobicContact CB-CB 4.43Å; I969-L982 HydrophobicContact CB-CD2 4.3Å; I969-L982 HydrophobicContact CB-CG 4.29Å; I969-L982 WeakPolarHBondContact CB-O 3.33Å; I969-L982 HydrophobicContact CD1-CD2 4.28Å; I969-L982 HydrophobicContact CD1-CG 4.19Å; I969-L982 HydrophobicContact CG2-CD2 4.2Å; I969-L982 PolarHBondContact N-O 2.97Å; R970-L982 HydrophobicContact CG-CB 4.03Å; R970-L982 HydrophobicContact CG-CD2 4.27Å; R970-L982 PolarHBondContact N-O 3.38Å; R970-L982 PolarHBondContact O-N 3.03Å; L972-L982 HydrophobicContact CD1-CB 4.05Å; L972-L982 HydrophobicContact CD1-CD1 4.47Å; L972-L982 HydrophobicContact CD2-CB 4.03Å; L972-L982 HydrophobicContact CG-CB 3.92Å; L982-I1033 HydrophobicContact CD1-CG2 3.59Å; L982-I1033 HydrophobicContact CG-CG2 4.36Å; L982-V1035 HydrophobicContact CD1-CG2 4.46Å; L982-Y1085 HydrophobicContact CD1-CD1 4.14Å; L982-Y1085 HydrophobicContact CD1-CD2 3.48Å; L982-Y1085 VanDerWaalsContact CD1-CD2 3.48Å; L982-Y1085 HydrophobicContact CD1-CE1 4.22Å; L982-Y1085 HydrophobicContact CD1-CE2 3.59Å; L982-Y1085 HydrophobicContact CD1-CG 3.76Å
983	V	94.1	Very high	75.7	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.2	-176.5	-60.1	0	0	0	0	111.1	L966 V967 E968 I981 A1034 L1036 L1082	L966-V983 HydrophobicContact CD2-CB 4.46Å; L966-V983 HydrophobicContact CD2-CG2 4.09Å; V967-V983 CarbonylContact O-C 3.58Å; V967-V983 WeakPolarHBondContact O-CA 3.46Å; E968-V983 HydrophobicContact CG-CG1 4.14Å; I981-V983 HydrophobicContact CB-CG1 4.33Å; I981-V983 HydrophobicContact CG2-CG1 3.9Å; V983-A1034 HydrophobicContact CG2-CB 4.13Å; V983-A1034 WeakPolarHBondContact CG2-O 3.17Å; V983-A1034 PolarHBondContact N-O 3.18Å; V983-A1034 PolarHBondContact O-N 3.45Å; V983-A1034 VanDerWaalsContact O-O 3.05Å; V983-L1036 HydrophobicContact CB-CB 4.44Å; V983-L1036 HydrophobicContact CG1-CB 3.52Å; V983-L1036 HydrophobicContact CG1-CD2 3.99Å; V983-L1036 HydrophobicContact CG1-CG 4.4Å; V983-L1036 HydrophobicContact CG2-CB 3.99Å; V983-L1082 HydrophobicContact CG2-CD2 3.68Å
984	H	90.3	Very high	73.6	Confident	18 Å²	18	57 Å²	57	8%	0.083	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127.4	161.4	-179.5	-117.6	0	0	0	108.8	V967 I969 P986 D1031	V967-H984 HydrophobicContact CB-CB 4.2Å; V967-H984 PolarHBondContact N-O 3.47Å; V967-H984 PolarHBondContact O-N 3.37Å; I969-H984 HydrophobicContact CD1-CB 4.15Å; I969-H984 HydrophobicContact CG1-CB 4.4Å; H984-P986 WeakPolarHBondContact O-CD 2.64Å; H984-D1031 IonicContact CE1-OD1 3.27Å; H984-D1031 PolarHBondContact CE1-OD1 2.9Å; H984-D1031 IonicContact CE1-OD2 2.67Å; H984-D1031 VanDerWaalsContact NE2-CA 3.33Å; H984-D1031 WeakPolarHBondContact NE2-CA 3.42Å; H984-D1031 WeakPolarHBondContact NE2-CB 3.46Å; H984-D1031 IonicContact NE2-OD1 3.35Å; H984-D1031 PolarHBondContact NE2-OD1 2.74Å; H984-D1031 IonicContact NE2-OD2 3.47Å
985	A	88.8	Confident	72	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.261	C	S	.	.			trans	-120.5	84.8	-176.5	0	0	0	0	0	110.4	L966 L988 C1032 A1034	L966-A985 HydrophobicContact CD2-CB 3.64Å; A985-L988 HydrophobicContact CB-CB 4.23Å; A985-L988 HydrophobicContact CB-CD2 4.04Å; A985-L988 WeakPolarHBondContact O-CB 3.03Å; A985-L988 PolarHBondContact O-N 2.67Å; A985-C1032 PolarHBondContact N-O 3.11Å; A985-A1034 HydrophobicContact CB-CB 4.48Å
986	P	83.6	Confident	70.5	Confident	31 Å²	31	57.6 Å²	57.6	20%	0.201	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	140.9	-178.5	-20.3	28.2	0	0	0	112.3	Y961 R965 H984 L988	Y961-P986 WeakPolarHBondContact OH-CD 3.37Å; Y961-P986 PolarHBondContact OH-O 3.11Å; R965-P986 VanDerWaalsContact O-CD 3.31Å; R965-P986 WeakPolarHBondContact O-CD 3.48Å; H984-P986 WeakPolarHBondContact O-CD 2.64Å; P986-L988 PolarHBondContact O-N 3.3Å; P986-L988 VanDerWaalsContact O-N 3.07Å
987	N	74.9	Confident	69	Low	63 Å²	63	58.7 Å²	58.7	34%	0.337	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	18.7	175.3	-64.5	-61.1	0	0	0	115.4	N989 K990 L991	N987-N989 VanDerWaalsContact C-N 3.3Å; N987-N989 PolarHBondContact O-N 2.68Å; N987-K990 PolarHBondContact O-N 2.94Å; N987-K990 VanDerWaalsContact O-N 3.12Å; N987-L991 PolarHBondContact O-N 2.8Å; N987-L991 VanDerWaalsContact O-N 3.11Å
988	L	77.5	Confident	67.2	Low	4 Å²	4	61 Å²	61	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-54.3	-46.3	179.8	-176	60.8	0	0	0	111.6	Y961 A985 P986 K990 L991 V992 C1032 L1070 L1082	Y961-L988 HydrophobicContact CD2-CD1 3.48Å; Y961-L988 VanDerWaalsContact CD2-CD1 3.48Å; Y961-L988 HydrophobicContact CE2-CB 4.25Å; Y961-L988 HydrophobicContact CE2-CD1 3.79Å; Y961-L988 HydrophobicContact CG-CD1 4.34Å; A985-L988 HydrophobicContact CB-CB 4.23Å; A985-L988 HydrophobicContact CB-CD2 4.04Å; A985-L988 WeakPolarHBondContact O-CB 3.03Å; A985-L988 PolarHBondContact O-N 2.67Å; P986-L988 PolarHBondContact O-N 3.3Å; P986-L988 VanDerWaalsContact O-N 3.07Å; L988-K990 VanDerWaalsContact C-N 3.35Å; L988-K990 PolarHBondContact O-N 2.78Å; L988-L991 PolarHBondContact O-N 3.06Å; L988-V992 HydrophobicContact CD1-CG2 4.43Å; L988-V992 WeakPolarHBondContact O-CG2 3.42Å; L988-V992 PolarHBondContact O-N 3.36Å; L988-C1032 HydrophobicContact CB-CB 4.11Å; L988-C1032 HydrophobicContact CD2-CB 4.41Å; L988-L1070 HydrophobicContact CD2-CB 3.93Å; L988-L1070 HydrophobicContact CD2-CD1 3.81Å; L988-L1070 HydrophobicContact CD2-CG 4.47Å; L988-L1082 HydrophobicContact CD1-CD1 4.47Å
989	N	68.1	Low	65.1	Low	80 Å²	80	65.2 Å²	65.2	43%	0.428	31%	0.31	S	S	.	.	H	α-helix	trans	-59.9	-40.9	178.3	-65.2	-16.6	0	0	0	112.7	N987 H993	N987-N989 VanDerWaalsContact C-N 3.3Å; N987-N989 PolarHBondContact O-N 2.68Å; N989-H993 PolarHBondContact O-CD2 2.96Å; N989-H993 VanDerWaalsContact O-CD2 3.3Å; N989-H993 PolarHBondContact O-N 2.83Å; N989-H993 VanDerWaalsContact O-N 3.11Å
990	K	62.1	Low	62.2	Low	82 Å²	82	64 Å²	64	36%	0.357	31%	0.31	S	S	.	.	H	α-helix	trans	-68	-35.8	179.4	-65.8	-172.1	-179	-178.2	0	111.8	N987 L988 R994	N987-K990 PolarHBondContact O-N 2.94Å; N987-K990 VanDerWaalsContact O-N 3.12Å; L988-K990 VanDerWaalsContact C-N 3.35Å; L988-K990 PolarHBondContact O-N 2.78Å; K990-R994 WeakPolarHBondContact O-CB 3.48Å; K990-R994 WeakPolarHBondContact O-CG 3.38Å; K990-R994 PolarHBondContact O-N 3.32Å; K990-R994 VanDerWaalsContact O-N 3.12Å
991	L	53.7	Low	59.6	Low	41 Å²	41	66.7 Å²	66.7	22%	0.215	33%	0.327	C	S	.	.	H	α-helix	trans	-69.3	-45.5	177.2	-82.4	162	0	0	0	112.1	Y961 N987 L988 R995	Y961-L991 HydrophobicContact CD2-CD1 3.7Å; Y961-L991 HydrophobicContact CE2-CD1 3.61Å; N987-L991 PolarHBondContact O-N 2.8Å; N987-L991 VanDerWaalsContact O-N 3.11Å; L988-L991 PolarHBondContact O-N 3.06Å; L991-R995 PolarHBondContact O-N 2.71Å
992	V	55	Low	56.8	Low	43 Å²	43	70.9 Å²	70.9	26%	0.261	35%	0.354	S	S	.	.	H	α-helix	trans	-61.9	-44.4	178.5	175.8	0	0	0	0	110.7	L988 R996	L988-V992 HydrophobicContact CD1-CG2 4.43Å; L988-V992 WeakPolarHBondContact O-CG2 3.42Å; L988-V992 PolarHBondContact O-N 3.36Å; V992-R996 PolarHBondContact O-N 3.21Å
993	H	44.2	Very low	53.9	Low	130 Å²	130	73.8 Å²	73.8	60%	0.602	37%	0.374	S	S	*	.	H	α-helix	trans	-66.5	-46	178.3	-86.1	-67	0	0	0	113.8	N989 R995 R996 L997	N989-H993 PolarHBondContact O-CD2 2.96Å; N989-H993 VanDerWaalsContact O-CD2 3.3Å; N989-H993 PolarHBondContact O-N 2.83Å; N989-H993 VanDerWaalsContact O-N 3.11Å; H993-R995 VanDerWaalsContact C-N 3.26Å; H993-R995 PolarHBondContact O-N 3.22Å; H993-R996 PolarHBondContact O-N 2.76Å; H993-L997 PolarHBondContact O-N 2.96Å
994	R	35.5	Very low	51	Low	193 Å²	193	78.5 Å²	78.5	73%	0.728	40%	0.396	S	S	*	.	H	α-helix	trans	-59.5	-35	-178.3	-82.5	-176.8	176.2	-174.1	-0.3	112.9	K990	K990-R994 WeakPolarHBondContact O-CB 3.48Å; K990-R994 WeakPolarHBondContact O-CG 3.38Å; K990-R994 PolarHBondContact O-N 3.32Å; K990-R994 VanDerWaalsContact O-N 3.12Å
995	R	39.5	Very low	48.2	Very low	89 Å²	89	84.8 Å²	84.8	34%	0.336	42%	0.419	S	S	.	.	H	α-helix	trans	-84.9	-28.9	-179.7	-70.3	-167.1	-178.9	150.7	4.6	113.8	K957 S958 C960 L991 H993 L997 L998	K957-R995 PolarHBondContact O-NH1 3.08Å; K957-R995 VanDerWaalsContact O-NH1 3.08Å; S958-R995 WeakPolarHBondContact O-CD 3.09Å; C960-R995 PolarHBondContact O-NH1 3.19Å; L991-R995 PolarHBondContact O-N 2.71Å; H993-R995 VanDerWaalsContact C-N 3.26Å; H993-R995 PolarHBondContact O-N 3.22Å; R995-L997 VanDerWaalsContact C-N 3.27Å; R995-L997 PolarHBondContact O-N 3.44Å; R995-L998 PolarHBondContact O-N 3.09Å; R995-L998 VanDerWaalsContact O-N 3.14Å
996	R	36.3	Very low	45.6	Very low	141 Å²	141	90.7 Å²	90.7	53%	0.532	45%	0.45	S	S	.	.	H	α-helix	trans	-59.7	-39.9	172.7	-134.7	175	-176.7	166	-0.2	111.3	V992 H993 L998 S999	V992-R996 PolarHBondContact O-N 3.21Å; H993-R996 PolarHBondContact O-N 2.76Å; R996-L998 VanDerWaalsContact C-N 3.29Å; R996-L998 PolarHBondContact O-N 2.87Å; R996-S999 PolarHBondContact O-N 3.2Å; R996-S999 VanDerWaalsContact O-N 3.13Å; R996-S999 PolarHBondContact O-OG 3.1Å
997	L	31.7	Very low	42.9	Very low	113 Å²	113	92.1 Å²	92.1	59%	0.592	47%	0.47	S	S	*	.	H	α-helix	trans	-60.8	-32.3	175	-77.5	163.2	0	0	0	113.8	H993 R995 S999 L1000	H993-L997 PolarHBondContact O-N 2.96Å; R995-L997 VanDerWaalsContact C-N 3.27Å; R995-L997 PolarHBondContact O-N 3.44Å; L997-S999 VanDerWaalsContact C-N 3.27Å; L997-S999 PolarHBondContact O-N 3.23Å; L997-L1000 HydrophobicContact CD2-CD1 4.01Å
998	L	31.2	Very low	40.8	Very low	127 Å²	127	95.5 Å²	95.5	67%	0.665	49%	0.488	S	S	*	.	H	α-helix	trans	-74.9	-17	178.4	-70.2	166.1	0	0	0	113.1	R995 R996	R995-L998 PolarHBondContact O-N 3.09Å; R995-L998 VanDerWaalsContact O-N 3.14Å; R996-L998 VanDerWaalsContact C-N 3.29Å; R996-L998 PolarHBondContact O-N 2.87Å
999	S	36.4	Very low	38.4	Very low	90 Å²	90	100.4 Å²	100.4	63%	0.629	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-8.3	177.4	74.2	0	0	0	0	114.5	R996 L997	R996-S999 PolarHBondContact O-N 3.2Å; R996-S999 VanDerWaalsContact O-N 3.13Å; R996-S999 PolarHBondContact O-OG 3.1Å; L997-S999 VanDerWaalsContact C-N 3.27Å; L997-S999 PolarHBondContact O-N 3.23Å
1000	L	27.8	Very low	36.4	Very low	56 Å²	56	101.5 Å²	101.5	29%	0.293	53%	0.532	S	S	.	.	S	Bend	trans	-68.6	139.6	176.9	-72.4	164.3	0	0	0	110.9	L997 E1004 R1005	L997-L1000 HydrophobicContact CD2-CD1 4.01Å; L1000-E1004 HydrophobicContact CB-CB 4.19Å; L1000-E1004 HydrophobicContact CD2-CB 3.97Å; L1000-E1004 HydrophobicContact CD2-CG 4.3Å; L1000-E1004 VanDerWaalsContact CD2-OE2 3.26Å; L1000-E1004 WeakPolarHBondContact CD2-OE2 3.36Å; L1000-R1005 HydrophobicContact CB-CG 4.41Å; L1000-R1005 PolarHBondContact O-NE 3.23Å; L1000-R1005 PolarHBondContact O-NH2 2.6Å
1001	T	35.5	Very low	34.5	Very low	82 Å²	82	103.3 Å²	103.3	50%	0.503	56%	0.555	S	S	.	*			trans	-64.1	156.8	174.1	60.3	0	0	0	0	110.5	S1003 E1004 R1005	T1001-S1003 PolarHBondContact O-N 2.66Å; T1001-E1004 PolarHBondContact N-OE2 3.49Å; T1001-E1004 PolarHBondContact O-N 2.95Å; T1001-E1004 VanDerWaalsContact O-N 3.14Å; T1001-E1004 PolarHBondContact OG1-OE2 3.46Å; T1001-R1005 PolarHBondContact O-N 3.08Å
1002	T	32.7	Very low	33	Very low	98 Å²	98	106.6 Å²	106.6	60%	0.601	58%	0.581	S	S	*	*	H	α-helix	trans	-56.9	-33.3	179.9	20.2	0	0	0	0	112.7	R1005 L1006	T1002-R1005 PolarHBondContact O-N 2.94Å; T1002-L1006 WeakPolarHBondContact O-CB 3.46Å; T1002-L1006 WeakPolarHBondContact O-CG 3.09Å; T1002-L1006 PolarHBondContact O-N 3.29Å
1003	S	32.4	Very low	31.6	Very low	68 Å²	68	109.7 Å²	109.7	48%	0.476	61%	0.605	S	S	.	*	H	α-helix	trans	-66.8	-37.9	177.7	-52.8	0	0	0	0	112.8	T1001 L1006 G1007 L1008	T1001-S1003 PolarHBondContact O-N 2.66Å; S1003-L1006 PolarHBondContact O-N 2.83Å; S1003-G1007 PolarHBondContact O-N 3.47Å; S1003-L1008 PolarHBondContact O-N 2.85Å
1004	E	34.4	Very low	30.6	Very low	99 Å²	99	112.8 Å²	112.8	46%	0.463	62%	0.619	S	S	.	*	H	α-helix	trans	-73	-36.9	174.8	-67.6	164.9	137.5	0	0	111.3	L1000 T1001 L1006 G1007	L1000-E1004 HydrophobicContact CB-CB 4.19Å; L1000-E1004 HydrophobicContact CD2-CB 3.97Å; L1000-E1004 HydrophobicContact CD2-CG 4.3Å; L1000-E1004 VanDerWaalsContact CD2-OE2 3.26Å; L1000-E1004 WeakPolarHBondContact CD2-OE2 3.36Å; T1001-E1004 PolarHBondContact N-OE2 3.49Å; T1001-E1004 PolarHBondContact O-N 2.95Å; T1001-E1004 VanDerWaalsContact O-N 3.14Å; T1001-E1004 PolarHBondContact OG1-OE2 3.46Å; E1004-L1006 VanDerWaalsContact C-N 3.26Å; E1004-L1006 PolarHBondContact O-N 2.73Å; E1004-G1007 PolarHBondContact O-N 2.95Å
1005	R	31.2	Very low	30	Very low	151 Å²	151	112.5 Å²	112.5	57%	0.57	63%	0.626	S	S	*	*	H	α-helix	trans	-62.9	-31.6	173.6	-85.4	-176.2	-112.6	-177.1	-8.3	113.4	L1000 T1001 T1002	L1000-R1005 HydrophobicContact CB-CG 4.41Å; L1000-R1005 PolarHBondContact O-NE 3.23Å; L1000-R1005 PolarHBondContact O-NH2 2.6Å; T1001-R1005 PolarHBondContact O-N 3.08Å; T1002-R1005 PolarHBondContact O-N 2.94Å
1006	L	33	Very low	29.2	Very low	124 Å²	124	117.9 Å²	117.9	65%	0.649	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	2.1	-179.4	-69.8	170.9	0	0	0	113.4	T1002 S1003 E1004 L1008	T1002-L1006 WeakPolarHBondContact O-CB 3.46Å; T1002-L1006 WeakPolarHBondContact O-CG 3.09Å; T1002-L1006 PolarHBondContact O-N 3.29Å; S1003-L1006 PolarHBondContact O-N 2.83Å; E1004-L1006 VanDerWaalsContact C-N 3.26Å; E1004-L1006 PolarHBondContact O-N 2.73Å; L1006-L1008 HydrophobicContact CB-CD1 4.05Å; L1006-L1008 HydrophobicContact CB-CG 4.09Å; L1006-L1008 HydrophobicContact CD1-CD1 4.44Å; L1006-L1008 PolarHBondContact O-N 3Å
1007	G	28.6	Very low	28.5	Very low	60 Å²	60	119.8 Å²	119.8	62%	0.619	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	62.3	23.9	178.6	0	0	0	0	0	113.8	S1003 E1004 V1009	S1003-G1007 PolarHBondContact O-N 3.47Å; E1004-G1007 PolarHBondContact O-N 2.95Å; G1007-V1009 PolarHBondContact O-N 3.04Å
1008	L	29.7	Very low	28.2	Very low	134 Å²	134	121.6 Å²	121.6	70%	0.702	68%	0.677	S	S	*	*			trans	-86.6	15	-175.4	-71.3	173.1	0	0	0	113.6	S1003 L1006 S1010	S1003-L1008 PolarHBondContact O-N 2.85Å; L1006-L1008 HydrophobicContact CB-CD1 4.05Å; L1006-L1008 HydrophobicContact CB-CG 4.09Å; L1006-L1008 HydrophobicContact CD1-CD1 4.44Å; L1006-L1008 PolarHBondContact O-N 3Å; L1008-S1010 PolarHBondContact O-N 3.47Å
1009	V	27.7	Very low	27.8	Very low	107 Å²	107	121.9 Å²	121.9	65%	0.648	69%	0.685	S	S	*	*	S	Bend	trans	-83.8	109.5	166.1	-178.7	0	0	0	0	107.7	G1007 S1011	G1007-V1009 PolarHBondContact O-N 3.04Å; V1009-S1011 PolarHBondContact O-N 3.28Å
1010	S	25	Very low	27.1	Very low	104 Å²	104	125 Å²	125	73%	0.727	69%	0.692	S	S	*	*			trans	-51.9	107.1	176.4	47	0	0	0	0	111.3	L1008 S1012	L1008-S1010 PolarHBondContact O-N 3.47Å; S1010-S1012 PolarHBondContact O-N 3.46Å; S1010-S1012 VanDerWaalsContact O-N 3.08Å
1011	S	23.7	Very low	26.9	Very low	120 Å²	120	129.7 Å²	129.7	84%	0.839	72%	0.718	S	S	*	*			trans	-68.5	97.3	170	51.3	0	0	0	0	109.8	V1009	V1009-S1011 PolarHBondContact O-N 3.28Å
1012	S	21.5	Very low	26.3	Very low	109 Å²	109	132.2 Å²	132.2	76%	0.762	73%	0.733	S	S	*	*			trans	-119.1	73.7	163.5	65.1	0	0	0	0	109.3	S1010	S1010-S1012 PolarHBondContact O-N 3.46Å; S1010-S1012 VanDerWaalsContact O-N 3.08Å
1013	S	25	Very low	25.9	Very low	109 Å²	109	136.5 Å²	136.5	76%	0.762	75%	0.746	S	S	*	*	S	Bend	trans	-166.2	83.9	163.6	46.3	0	0	0	0	109.8
1014	Q	24.6	Very low	25.5	Very low	194 Å²	194	138.1 Å²	138.1	91%	0.907	76%	0.758	S	S	*	*			trans	20.3	100.2	149.9	-66	-179.5	-19.3	0	0	116.7	K1016	Q1014-K1016 PolarHBondContact O-N 2.03Å
1015	E	23	Very low	24.8	Very low	188 Å²	188	139 Å²	139	88%	0.879	77%	0.774	S	S	*	*			trans	-59.4	122.6	162.9	-69.4	174.2	152.7	0	0	110
1016	K	22.8	Very low	24.7	Very low	202 Å²	202	136.3 Å²	136.3	88%	0.878	78%	0.779	S	S	*	*			trans	-93.6	106.4	156.4	-84.5	-176.7	174.9	179.2	0	107	Q1014 N1018	Q1014-K1016 PolarHBondContact O-N 2.03Å; K1016-N1018 PolarHBondContact O-N 3.41Å
1017	E	21.5	Very low	24.5	Very low	180 Å²	180	137 Å²	137	84%	0.841	78%	0.783	S	S	*	*			trans	-50.7	118.8	167.1	-69	172.4	140.6	0	0	110.1
1018	N	23.9	Very low	24.6	Very low	152 Å²	152	139.9 Å²	139.9	81%	0.813	78%	0.78	S	S	*	*			trans	-138.7	101.7	153.2	-91.5	-19.8	0	0	0	107	K1016	K1016-N1018 PolarHBondContact O-N 3.41Å
1019	T	22.7	Very low	25	Very low	133 Å²	133	137.4 Å²	137.4	82%	0.816	78%	0.775	S	S	*	*			trans	5	116.6	159.4	47	0	0	0	0	117.8	D1021	T1019-D1021 PolarHBondContact O-N 3.03Å
1020	I	23.4	Very low	25.9	Very low	154 Å²	154	135.1 Å²	135.1	79%	0.79	76%	0.763	S	S	*	*			trans	-72.7	110.6	172.4	-63.5	160.1	0	0	0	109	V1022	I1020-V1022 HydrophobicContact CG2-CG2 4.14Å
1021	D	22.1	Very low	27.3	Very low	156 Å²	156	134.6 Å²	134.6	83%	0.834	75%	0.752	S	S	*	*			trans	-87.7	115	159.7	-91.6	-27.6	0	0	0	109	T1019 Q1023	T1019-D1021 PolarHBondContact O-N 3.03Å; D1021-Q1023 PolarHBondContact O-N 2.82Å; D1021-Q1023 VanDerWaalsContact O-N 3.14Å
1022	V	23.6	Very low	30.1	Very low	134 Å²	134	130.1 Å²	130.1	81%	0.812	72%	0.72	S	S	*	*			trans	-73.4	97.2	178	178	0	0	0	0	108.5	I1020	I1020-V1022 HydrophobicContact CG2-CG2 4.14Å
1023	Q	24.9	Very low	33.4	Very low	188 Å²	188	129.1 Å²	129.1	88%	0.879	71%	0.706	S	S	*	*			trans	-101.8	118.5	160.9	-75.3	-169.1	-14.9	0	0	109.6	D1021	D1021-Q1023 PolarHBondContact O-N 2.82Å; D1021-Q1023 VanDerWaalsContact O-N 3.14Å
1024	S	22.9	Very low	36.7	Very low	103 Å²	103	123.9 Å²	123.9	72%	0.72	67%	0.669	S	S	*	*			trans	-52.1	135	-179.1	49.7	0	0	0	0	113.7	S1026	S1024-S1026 PolarHBondContact O-N 3.18Å
1025	S	21.2	Very low	40	Very low	116 Å²	116	115.1 Å²	115.1	81%	0.811	63%	0.629	S	S	*	*			trans	-64.3	92.7	172	54.2	0	0	0	0	112.4
1026	S	27.2	Very low	43.4	Very low	95 Å²	95	106.1 Å²	106.1	66%	0.664	59%	0.587	S	S	*	*			trans	-101	89.1	155.1	54.4	0	0	0	0	107.5	S1024 E1028	S1024-S1026 PolarHBondContact O-N 3.18Å; S1026-E1028 PolarHBondContact O-N 3.03Å
1027	D	29	Very low	46.7	Very low	138 Å²	138	97 Å²	97	74%	0.738	55%	0.547	S	S	*	.			trans	-68.3	69.1	175.6	-96.7	-8.7	0	0	0	109.9
1028	E	31.5	Very low	50	Low	121 Å²	121	89.2 Å²	89.2	57%	0.565	51%	0.511	S	S	*	.			trans	-59.5	139.5	169.4	-68.5	-154.6	161.3	0	0	109.4	S1026 S1030	S1026-E1028 PolarHBondContact O-N 3.03Å; E1028-S1030 PolarHBondContact O-N 3.29Å; E1028-S1030 PolarHBondContact O-OG 3.36Å
1029	S	37.7	Very low	53	Low	83 Å²	83	82.3 Å²	82.3	58%	0.58	47%	0.474	S	S	*	.			trans	-48.8	99.7	173.1	44.6	0	0	0	0	110	D1031	S1029-D1031 PolarHBondContact O-N 2.81Å
1030	S	46	Very low	55.7	Low	58 Å²	58	79.7 Å²	79.7	41%	0.406	45%	0.453	S	S	.	.			trans	-70.4	87.5	177.4	-50.7	0	0	0	0	109.2	E1028 C1032	E1028-S1030 PolarHBondContact O-N 3.29Å; E1028-S1030 PolarHBondContact O-OG 3.36Å; S1030-C1032 PolarHBondContact O-N 2.77Å
1031	D	55.3	Low	58.1	Low	94 Å²	94	75 Å²	75	50%	0.503	44%	0.441	S	S	.	.			trans	-65.1	122.4	171.3	-86.8	-2.6	0	0	0	109.1	H984 S1029	H984-D1031 IonicContact CE1-OD1 3.27Å; H984-D1031 PolarHBondContact CE1-OD1 2.9Å; H984-D1031 IonicContact CE1-OD2 2.67Å; H984-D1031 VanDerWaalsContact NE2-CA 3.33Å; H984-D1031 WeakPolarHBondContact NE2-CA 3.42Å; H984-D1031 WeakPolarHBondContact NE2-CB 3.46Å; H984-D1031 IonicContact NE2-OD1 3.35Å; H984-D1031 PolarHBondContact NE2-OD1 2.74Å; H984-D1031 IonicContact NE2-OD2 3.47Å; S1029-D1031 PolarHBondContact O-N 2.81Å
1032	C	82.8	Confident	60.3	Low	25 Å²	25	69.1 Å²	69.1	17%	0.169	42%	0.418	C	S	.	.			trans	-119	119.1	-172.9	-167.9	0	0	0	0	109.8	A985 L988 S1030	A985-C1032 PolarHBondContact N-O 3.11Å; L988-C1032 HydrophobicContact CB-CB 4.11Å; L988-C1032 HydrophobicContact CD2-CB 4.41Å; S1030-C1032 PolarHBondContact O-N 2.77Å
1033	I	90.3	Very high	62.4	Low	88 Å²	88	63.6 Å²	63.6	45%	0.451	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	129.8	172.7	-62.5	175.9	0	0	0	108.5	L982 Y1085	L982-I1033 HydrophobicContact CD1-CG2 3.59Å; L982-I1033 HydrophobicContact CG-CG2 4.36Å; I1033-Y1085 HydrophobicContact CG2-CD1 3.84Å; I1033-Y1085 HydrophobicContact CG2-CE1 4.48Å; I1033-Y1085 HydrophobicContact CG2-CG 4.15Å
1034	A	93.9	Very high	64.6	Low	0 Å²	0	59.2 Å²	59.2	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	173.7	179.8	0	0	0	0	0	111.1	V983 A985 L1070 L1082	V983-A1034 HydrophobicContact CG2-CB 4.13Å; V983-A1034 WeakPolarHBondContact CG2-O 3.17Å; V983-A1034 PolarHBondContact N-O 3.18Å; V983-A1034 PolarHBondContact O-N 3.45Å; V983-A1034 VanDerWaalsContact O-O 3.05Å; A985-A1034 HydrophobicContact CB-CB 4.48Å; A1034-L1070 HydrophobicContact CB-CD1 3.96Å; A1034-L1082 HydrophobicContact CB-CD2 4.43Å
1035	V	94.5	Very high	66.8	Low	9 Å²	9	60.5 Å²	60.5	6%	0.055	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.3	171.7	170.6	0	0	0	0	109.3	L972 I980 I981 L982 L1082 I1083 Y1085	L972-V1035 HydrophobicContact CD1-CG2 3.95Å; I980-V1035 HydrophobicContact CG2-CG1 3.45Å; I980-V1035 VanDerWaalsContact CG2-CG1 3.45Å; I981-V1035 CarbonylContact O-C 3.55Å; I981-V1035 WeakPolarHBondContact O-CA 3.07Å; L982-V1035 HydrophobicContact CD1-CG2 4.46Å; V1035-L1082 CarbonylContact O-C 3.57Å; V1035-L1082 WeakPolarHBondContact O-CA 3.49Å; V1035-I1083 HydrophobicContact CB-CD1 4.47Å; V1035-I1083 HydrophobicContact CB-CG1 3.8Å; V1035-I1083 HydrophobicContact CG1-CD1 4.16Å; V1035-I1083 HydrophobicContact CG1-CG1 3.95Å; V1035-I1083 PolarHBondContact N-O 2.79Å; V1035-I1083 PolarHBondContact O-N 3.3Å; V1035-Y1085 HydrophobicContact CG2-CD2 3.6Å; V1035-Y1085 HydrophobicContact CG2-CG 4.27Å
1036	L	94.1	Very high	69.2	Low	0 Å²	0	59.5 Å²	59.5	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	105.3	172	-176.7	67.5	0	0	0	108.8	L966 I981 V983 M1038 C1073 L1081 L1082	L966-L1036 HydrophobicContact CD1-CD1 3.74Å; L966-L1036 HydrophobicContact CD1-CD2 3.96Å; L966-L1036 HydrophobicContact CD1-CG 4.38Å; I981-L1036 HydrophobicContact CB-CB 4.3Å; I981-L1036 PolarHBondContact N-O 3.4Å; I981-L1036 PolarHBondContact O-N 2.97Å; V983-L1036 HydrophobicContact CB-CB 4.44Å; V983-L1036 HydrophobicContact CG1-CB 3.52Å; V983-L1036 HydrophobicContact CG1-CD2 3.99Å; V983-L1036 HydrophobicContact CG1-CG 4.4Å; V983-L1036 HydrophobicContact CG2-CB 3.99Å; L1036-M1038 HydrophobicContact CD1-CG 4.3Å; L1036-M1038 HydrophobicContact CD2-CG 3.91Å; L1036-M1038 HydrophobicContact CD2-SD 3.46Å; L1036-M1038 WeakPolarHBondContact CD2-SD 3.4Å; L1036-M1038 HydrophobicContact CG-CG 3.59Å; L1036-M1038 HydrophobicContact CG-SD 3.87Å; L1036-C1073 WeakPolarHBondContact CD1-SG 2.77Å; L1036-L1081 CarbonylContact C-O 3.45Å; L1036-L1081 WeakPolarHBondContact CA-O 3.3Å; L1036-L1082 HydrophobicContact CB-CD2 4.27Å; L1036-L1082 HydrophobicContact CD1-CD2 3.87Å; L1036-L1082 HydrophobicContact CD1-CG 4.3Å
1037	K	93.1	Very high	71.5	Confident	10 Å²	10	56.3 Å²	56.3	4%	0.043	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	121	169.2	-165.8	-176.4	-168.8	-176.9	0	107.3	F1051 E1054 S1080 L1081 I1083 D1189	K1037-F1051 HydrophobicContact CD-CE2 4.33Å; K1037-F1051 HydrophobicContact CG-CE2 4.11Å; K1037-F1051 WeakPolarHBondContact O-CZ 3.49Å; K1037-E1054 IonicContact NZ-OE1 3.69Å; K1037-E1054 PolarHBondContact NZ-OE1 2.99Å; K1037-E1054 IonicContact NZ-OE2 2.82Å; K1037-E1054 PolarHBondContact NZ-OE2 3.48Å; K1037-S1080 CarbonylContact O-C 3.56Å; K1037-S1080 WeakPolarHBondContact O-CA 3.29Å; K1037-L1081 HydrophobicContact CB-CB 4.47Å; K1037-L1081 PolarHBondContact N-O 2.58Å; K1037-L1081 PolarHBondContact O-N 2.99Å; K1037-I1083 HydrophobicContact CB-CD1 4.44Å; K1037-D1189 IonicContact NZ-OD1 2.84Å
1038	M	90.2	Very high	73.7	Confident	17 Å²	17	52.9 Å²	52.9	8%	0.084	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139.5	-178	-49.5	-171	-50.4	0	0	109.9	R963 G978 W979 I981 L1036 L1079	R963-M1038 PolarHBondContact NH1-SD 3.26Å; R963-M1038 PolarHBondContact NH2-SD 2.97Å; G978-M1038 CarbonylContact C-O 3.58Å; G978-M1038 VanDerWaalsContact CA-O 3.28Å; G978-M1038 WeakPolarHBondContact CA-O 3.4Å; W979-M1038 HydrophobicContact CB-CB 4.37Å; W979-M1038 HydrophobicContact CB-CE 3.65Å; W979-M1038 HydrophobicContact CG-CE 3.86Å; W979-M1038 PolarHBondContact N-O 2.86Å; W979-M1038 PolarHBondContact O-N 3.47Å; I981-M1038 HydrophobicContact CD1-CE 3.37Å; I981-M1038 HydrophobicContact CD1-SD 4.13Å; I981-M1038 HydrophobicContact CG1-CE 4.31Å; L1036-M1038 HydrophobicContact CD1-CG 4.3Å; L1036-M1038 HydrophobicContact CD2-CG 3.91Å; L1036-M1038 HydrophobicContact CD2-SD 3.46Å; L1036-M1038 WeakPolarHBondContact CD2-SD 3.4Å; L1036-M1038 HydrophobicContact CG-CG 3.59Å; L1036-M1038 HydrophobicContact CG-SD 3.87Å; M1038-L1079 WeakPolarHBondContact CA-O 3.3Å
1039	I	86.2	Confident	75.7	Confident	6 Å²	6	49 Å²	49	3%	0.031	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	147.4	168.1	-151.3	171.5	0	0	0	110	F977 A1043 A1047 E1048 F1051 P1078 L1079	F977-I1039 CarbonylContact O-C 3.54Å; F977-I1039 WeakPolarHBondContact O-CA 3.42Å; F977-I1039 WeakPolarHBondContact O-CG1 3.31Å; I1039-A1043 HydrophobicContact CD1-CB 3.37Å; I1039-A1043 HydrophobicContact CG1-CB 3.64Å; I1039-A1047 HydrophobicContact CD1-CB 4.26Å; I1039-E1048 HydrophobicContact CD1-CB 4.46Å; I1039-E1048 HydrophobicContact CD1-CG 3.98Å; I1039-F1051 HydrophobicContact CB-CD2 4.03Å; I1039-F1051 HydrophobicContact CB-CE2 4.17Å; I1039-F1051 HydrophobicContact CB-CG 4.27Å; I1039-F1051 HydrophobicContact CD1-CB 3.91Å; I1039-F1051 HydrophobicContact CD1-CD2 4.45Å; I1039-F1051 HydrophobicContact CD1-CG 4.23Å; I1039-F1051 HydrophobicContact CG1-CD2 4.33Å; I1039-P1078 HydrophobicContact CG2-CB 4.5Å; I1039-L1079 HydrophobicContact CB-CB 4.44Å; I1039-L1079 HydrophobicContact CG2-CB 3.74Å; I1039-L1079 PolarHBondContact N-O 2.72Å
1040	Q	81	Confident	77.8	Confident	79 Å²	79	46.5 Å²	46.5	37%	0.369	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-62.7	137.2	171.6	-177.4	58.9	37.9	0	0	109.5	F977 G1042 A1043	F977-Q1040 PolarHBondContact O-N 3.41Å; Q1040-G1042 PolarHBondContact O-N 3.49Å; Q1040-A1043 WeakPolarHBondContact O-CB 3.35Å; Q1040-A1043 PolarHBondContact O-N 2.67Å
1041	G	73.2	Confident	79.6	Confident	54 Å²	54	44.2 Å²	44.2	56%	0.557	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	131.5	172.6	0	0	0	0	0	110.4
1042	G	68.5	Low	80.8	Confident	34 Å²	34	42.8 Å²	42.8	35%	0.351	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	33.8	-175.7	0	0	0	0	0	114.6	H183 Q1040	H183-G1042 WeakPolarHBondContact CE1-CA 3.38Å; H183-G1042 PolarHBondContact CE1-O 3.42Å; H183-G1042 WeakPolarHBondContact NE2-CA 3.4Å; H183-G1042 PolarHBondContact NE2-O 2.97Å; Q1040-G1042 PolarHBondContact O-N 3.49Å
1043	A	68.1	Low	80.8	Confident	18 Å²	18	44.6 Å²	44.6	15%	0.149	26%	0.255	C	S	.	.			trans	-68.2	145.3	171.2	0	0	0	0	0	110.6	I1039 Q1040 A1047 E1048	I1039-A1043 HydrophobicContact CD1-CB 3.37Å; I1039-A1043 HydrophobicContact CG1-CB 3.64Å; Q1040-A1043 WeakPolarHBondContact O-CB 3.35Å; Q1040-A1043 PolarHBondContact O-N 2.67Å; A1043-A1047 HydrophobicContact CB-CB 4.08Å; A1043-E1048 HydrophobicContact CB-CG 4.09Å
1044	N	69.7	Low	80.8	Confident	95 Å²	95	40.6 Å²	40.6	51%	0.508	23%	0.234	S	C	.	.			trans	-65.6	157.5	174.8	68.6	32.7	0	0	0	111.4	K1046 A1047 E1048	N1044-K1046 PolarHBondContact O-N 3.44Å; N1044-K1046 WeakPolarHBondContact OD1-CB 3.48Å; N1044-K1046 PolarHBondContact OD1-N 2.76Å; N1044-A1047 WeakPolarHBondContact O-CB 3.43Å; N1044-A1047 PolarHBondContact O-N 2.81Å; N1044-A1047 WeakPolarHBondContact OD1-CB 3.5Å; N1044-A1047 PolarHBondContact OD1-N 3.01Å; N1044-E1048 PolarHBondContact O-N 3.38Å
1045	L	69.9	Low	80.4	Confident	130 Å²	130	40.7 Å²	40.7	68%	0.681	23%	0.234	S	C	*	.	H	α-helix	trans	-54.4	-27.9	-178.9	-66	174.4	0	0	0	113.8	A1049	L1045-A1049 WeakPolarHBondContact O-CB 3.39Å; L1045-A1049 PolarHBondContact O-N 3.32Å
1046	K	71.1	Confident	79.8	Confident	95 Å²	95	44.8 Å²	44.8	41%	0.413	25%	0.253	S	S	.	.	H	α-helix	trans	-71.9	-41.8	176.9	-174.9	177.6	-178.5	178.2	0	111.6	N1044 N1050 N1207	N1044-K1046 PolarHBondContact O-N 3.44Å; N1044-K1046 WeakPolarHBondContact OD1-CB 3.48Å; N1044-K1046 PolarHBondContact OD1-N 2.76Å; K1046-N1050 WeakPolarHBondContact O-CB 3.19Å; K1046-N1050 VanDerWaalsContact O-CG 3.26Å; K1046-N1050 PolarHBondContact O-N 3.43Å; K1046-N1207 PolarHBondContact NZ-O 3.28Å
1047	A	76.2	Confident	79.5	Confident	29 Å²	29	45 Å²	45	24%	0.24	25%	0.254	C	S	.	.	H	α-helix	trans	-67.6	-44	176.3	0	0	0	0	0	111	I1039 A1043 N1044 A1049 N1050 F1051	I1039-A1047 HydrophobicContact CD1-CB 4.26Å; A1043-A1047 HydrophobicContact CB-CB 4.08Å; N1044-A1047 WeakPolarHBondContact O-CB 3.43Å; N1044-A1047 PolarHBondContact O-N 2.81Å; N1044-A1047 WeakPolarHBondContact OD1-CB 3.5Å; N1044-A1047 PolarHBondContact OD1-N 3.01Å; A1047-A1049 PolarHBondContact O-N 3.12Å; A1047-N1050 PolarHBondContact O-N 2.94Å; A1047-F1051 WeakPolarHBondContact O-CB 3.25Å; A1047-F1051 PolarHBondContact O-N 3.18Å
1048	E	74.8	Confident	79.3	Confident	65 Å²	65	44.9 Å²	44.9	30%	0.304	25%	0.254	S	S	.	.	H	α-helix	trans	-60.5	-45.2	173.6	-67.9	-171.1	154.7	0	0	111.9	I1039 A1043 N1044 N1050 F1051 L1052 L1079	I1039-E1048 HydrophobicContact CD1-CB 4.46Å; I1039-E1048 HydrophobicContact CD1-CG 3.98Å; A1043-E1048 HydrophobicContact CB-CG 4.09Å; N1044-E1048 PolarHBondContact O-N 3.38Å; E1048-N1050 VanDerWaalsContact C-N 3.34Å; E1048-N1050 PolarHBondContact O-N 3.22Å; E1048-F1051 PolarHBondContact O-N 3.48Å; E1048-L1052 WeakPolarHBondContact O-CG 2.96Å; E1048-L1052 PolarHBondContact O-N 3.04Å; E1048-L1079 HydrophobicContact CB-CD1 4.11Å; E1048-L1079 HydrophobicContact CG-CD1 4.2Å
1049	A	73.2	Confident	79	Confident	40 Å²	40	44.8 Å²	44.8	33%	0.331	25%	0.254	S	S	.	.	H	α-helix	trans	-63	-38	176.5	0	0	0	0	0	112.5	L1045 A1047 R1053	L1045-A1049 WeakPolarHBondContact O-CB 3.39Å; L1045-A1049 PolarHBondContact O-N 3.32Å; A1047-A1049 PolarHBondContact O-N 3.12Å; A1049-R1053 WeakPolarHBondContact O-CB 3.16Å; A1049-R1053 PolarHBondContact O-N 3.09Å
1050	N	81	Confident	78.8	Confident	30 Å²	30	48.4 Å²	48.4	16%	0.16	27%	0.271	C	S	.	.	H	α-helix	trans	-68.3	-38	174.7	-75.3	-12.3	0	0	0	111.9	K1046 A1047 E1048 R1053 E1054 R1194	K1046-N1050 WeakPolarHBondContact O-CB 3.19Å; K1046-N1050 VanDerWaalsContact O-CG 3.26Å; K1046-N1050 PolarHBondContact O-N 3.43Å; A1047-N1050 PolarHBondContact O-N 2.94Å; E1048-N1050 VanDerWaalsContact C-N 3.34Å; E1048-N1050 PolarHBondContact O-N 3.22Å; N1050-R1053 PolarHBondContact O-N 3.39Å; N1050-R1053 PolarHBondContact OD1-NH1 2.87Å; N1050-E1054 PolarHBondContact O-N 3.11Å; N1050-R1194 PolarHBondContact OD1-NH2 3.22Å; N1050-R1194 VanDerWaalsContact OD1-NH2 3.15Å
1051	F	84	Confident	79.2	Confident	10 Å²	10	45.1 Å²	45.1	4%	0.044	26%	0.256	C	S	.	.	H	α-helix	trans	-68.1	-43.8	177.8	-170.8	-86	0	0	0	112.3	K1037 I1039 A1047 E1048 R1053 E1054 A1055 L1079 L1081	K1037-F1051 HydrophobicContact CD-CE2 4.33Å; K1037-F1051 HydrophobicContact CG-CE2 4.11Å; K1037-F1051 WeakPolarHBondContact O-CZ 3.49Å; I1039-F1051 HydrophobicContact CB-CD2 4.03Å; I1039-F1051 HydrophobicContact CB-CE2 4.17Å; I1039-F1051 HydrophobicContact CB-CG 4.27Å; I1039-F1051 HydrophobicContact CD1-CB 3.91Å; I1039-F1051 HydrophobicContact CD1-CD2 4.45Å; I1039-F1051 HydrophobicContact CD1-CG 4.23Å; I1039-F1051 HydrophobicContact CG1-CD2 4.33Å; A1047-F1051 WeakPolarHBondContact O-CB 3.25Å; A1047-F1051 PolarHBondContact O-N 3.18Å; E1048-F1051 PolarHBondContact O-N 3.48Å; F1051-R1053 VanDerWaalsContact C-N 3.34Å; F1051-E1054 PolarHBondContact O-N 3.25Å; F1051-A1055 PolarHBondContact O-N 2.96Å; F1051-L1079 HydrophobicContact CD1-CB 3.63Å; F1051-L1079 HydrophobicContact CD1-CD1 4.28Å; F1051-L1079 VanDerWaalsContact CE1-C 3.47Å; F1051-L1079 HydrophobicContact CE1-CB 3.55Å; F1051-L1079 WeakPolarHBondContact CE1-O 3.44Å; F1051-L1079 HydrophobicContact CZ-CB 4.46Å; F1051-L1079 WeakPolarHBondContact CZ-O 3.23Å; F1051-L1081 HydrophobicContact CD1-CD1 4.45Å; F1051-L1081 HydrophobicContact CD1-CG 4.46Å; F1051-L1081 HydrophobicContact CE1-CD1 3.95Å; F1051-L1081 HydrophobicContact CE1-CD2 4.11Å; F1051-L1081 HydrophobicContact CE1-CG 3.57Å; F1051-L1081 HydrophobicContact CZ-CB 4.42Å; F1051-L1081 HydrophobicContact CZ-CD1 3.99Å; F1051-L1081 HydrophobicContact CZ-CG 3.65Å
1052	L	81.7	Confident	79.9	Confident	65 Å²	65	48.9 Å²	48.9	34%	0.34	26%	0.259	S	S	.	.	H	α-helix	trans	-64.3	-39.7	172.5	-73.3	175	0	0	0	111.6	E1048 E1054 A1055 E1056 L1079	E1048-L1052 WeakPolarHBondContact O-CG 2.96Å; E1048-L1052 PolarHBondContact O-N 3.04Å; L1052-E1054 PolarHBondContact O-N 3.44Å; L1052-A1055 WeakPolarHBondContact O-CA 3.38Å; L1052-A1055 WeakPolarHBondContact O-CB 3.08Å; L1052-A1055 PolarHBondContact O-N 3.32Å; L1052-A1055 VanDerWaalsContact O-N 3.14Å; L1052-E1056 WeakPolarHBondContact O-CG 3.22Å; L1052-E1056 PolarHBondContact O-N 3.41Å; L1052-L1079 HydrophobicContact CD1-CD1 4.39Å; L1052-L1079 HydrophobicContact CD2-CD1 4.19Å; L1052-L1079 HydrophobicContact CD2-CD2 3.8Å; L1052-L1079 HydrophobicContact CG-CD1 3.99Å; L1052-L1079 HydrophobicContact CG-CD2 4.47Å
1053	R	82.3	Confident	81.2	Confident	63 Å²	63	50 Å²	50	24%	0.238	26%	0.255	C	S	.	.	H	α-helix	trans	-63.3	-41.3	176.7	-172.7	178.1	-59.1	106.5	6.2	112.5	A1049 N1050 F1051 A1055 E1056 I1057 C1193 R1194	A1049-R1053 WeakPolarHBondContact O-CB 3.16Å; A1049-R1053 PolarHBondContact O-N 3.09Å; N1050-R1053 PolarHBondContact O-N 3.39Å; N1050-R1053 PolarHBondContact OD1-NH1 2.87Å; F1051-R1053 VanDerWaalsContact C-N 3.34Å; R1053-A1055 VanDerWaalsContact C-N 3.25Å; R1053-A1055 PolarHBondContact O-N 3.46Å; R1053-E1056 PolarHBondContact O-N 3.15Å; R1053-E1056 VanDerWaalsContact O-N 3.14Å; R1053-I1057 HydrophobicContact CG-CD1 3.89Å; R1053-I1057 HydrophobicContact CG-CG1 4.35Å; R1053-I1057 WeakPolarHBondContact O-CG1 3.28Å; R1053-I1057 PolarHBondContact O-N 2.83Å; R1053-C1193 WeakPolarHBondContact CD-O 3.47Å; R1053-R1194 VanDerWaalsContact CD-NH1 3.31Å; R1053-R1194 VanDerWaalsContact NH1-NH2 3.16Å
1054	E	89.8	Confident	82.5	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.019	28%	0.276	C	S	.	.	H	α-helix	trans	-56.2	-44.6	172.4	170.3	172	-164.5	0	0	110.8	K1037 N1050 F1051 L1052 L1058 L1081 F1190	K1037-E1054 IonicContact NZ-OE1 3.69Å; K1037-E1054 PolarHBondContact NZ-OE1 2.99Å; K1037-E1054 IonicContact NZ-OE2 2.82Å; K1037-E1054 PolarHBondContact NZ-OE2 3.48Å; N1050-E1054 PolarHBondContact O-N 3.11Å; F1051-E1054 PolarHBondContact O-N 3.25Å; L1052-E1054 PolarHBondContact O-N 3.44Å; E1054-L1058 HydrophobicContact CG-CD1 3.78Å; E1054-L1058 HydrophobicContact CG-CG 4.4Å; E1054-L1058 VanDerWaalsContact O-CB 3.32Å; E1054-L1058 WeakPolarHBondContact O-CB 3.32Å; E1054-L1058 VanDerWaalsContact O-CG 3.25Å; E1054-L1058 WeakPolarHBondContact O-CG 3.42Å; E1054-L1058 PolarHBondContact O-N 2.97Å; E1054-L1081 HydrophobicContact CG-CD1 4.44Å; E1054-F1190 HydrophobicContact CB-CB 4.35Å; E1054-F1190 HydrophobicContact CG-CB 4.09Å
1055	A	86.5	Confident	83.9	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-43.4	175.2	0	0	0	0	0	111.7	F956 F1051 L1052 R1053 I1057 L1058 V1059 L1081	F956-A1055 HydrophobicContact CE1-CB 3.55Å; F956-A1055 WeakPolarHBondContact CE1-O 3.29Å; F956-A1055 VanDerWaalsContact CZ-C 3.42Å; F956-A1055 HydrophobicContact CZ-CB 3.56Å; F1051-A1055 PolarHBondContact O-N 2.96Å; L1052-A1055 WeakPolarHBondContact O-CA 3.38Å; L1052-A1055 WeakPolarHBondContact O-CB 3.08Å; L1052-A1055 PolarHBondContact O-N 3.32Å; L1052-A1055 VanDerWaalsContact O-N 3.14Å; R1053-A1055 VanDerWaalsContact C-N 3.25Å; R1053-A1055 PolarHBondContact O-N 3.46Å; A1055-I1057 VanDerWaalsContact C-N 3.35Å; A1055-I1057 PolarHBondContact O-N 3.46Å; A1055-L1058 PolarHBondContact O-N 3.38Å; A1055-V1059 WeakPolarHBondContact O-CB 3.15Å; A1055-V1059 VanDerWaalsContact O-CG2 3.27Å; A1055-V1059 WeakPolarHBondContact O-CG2 3.27Å; A1055-V1059 PolarHBondContact O-N 2.94Å; A1055-L1081 HydrophobicContact CB-CD1 3.93Å; A1055-L1081 HydrophobicContact CB-CD2 3.56Å; A1055-L1081 HydrophobicContact CB-CG 4.4Å
1056	E	82.1	Confident	85.2	Confident	96 Å²	96	46.2 Å²	46.2	45%	0.449	22%	0.221	S	C	.	.	H	α-helix	trans	-62.3	-45.7	-177.4	-76.1	174	174.8	0	0	110.5	F956 L1052 R1053 E1060	F956-E1056 HydrophobicContact CE2-CG 3.69Å; F956-E1056 HydrophobicContact CZ-CB 4.21Å; F956-E1056 HydrophobicContact CZ-CG 3.66Å; L1052-E1056 WeakPolarHBondContact O-CG 3.22Å; L1052-E1056 PolarHBondContact O-N 3.41Å; R1053-E1056 PolarHBondContact O-N 3.15Å; R1053-E1056 VanDerWaalsContact O-N 3.14Å; E1056-E1060 WeakPolarHBondContact O-CG 3.44Å
1057	I	87.2	Confident	86.4	Confident	5 Å²	5	41.8 Å²	41.8	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-65.3	-52	178.4	-66.2	173	0	0	0	110.1	R1053 A1055 V1059 E1060 L1061 Y1167 F1190 C1193	R1053-I1057 HydrophobicContact CG-CD1 3.89Å; R1053-I1057 HydrophobicContact CG-CG1 4.35Å; R1053-I1057 WeakPolarHBondContact O-CG1 3.28Å; R1053-I1057 PolarHBondContact O-N 2.83Å; A1055-I1057 VanDerWaalsContact C-N 3.35Å; A1055-I1057 PolarHBondContact O-N 3.46Å; I1057-V1059 PolarHBondContact O-N 2.95Å; I1057-V1059 VanDerWaalsContact O-N 3.13Å; I1057-E1060 PolarHBondContact O-N 2.66Å; I1057-L1061 HydrophobicContact CG2-CD1 3.5Å; I1057-L1061 HydrophobicContact CG2-CG 3.96Å; I1057-L1061 WeakPolarHBondContact O-CG 3.41Å; I1057-L1061 PolarHBondContact O-N 3.46Å; I1057-L1061 VanDerWaalsContact O-N 3.16Å; I1057-Y1167 HydrophobicContact CD1-CD1 4.28Å; I1057-Y1167 HydrophobicContact CD1-CE1 4.05Å; I1057-Y1167 HydrophobicContact CG1-CD1 4.46Å; I1057-Y1167 HydrophobicContact CG1-CE1 3.81Å; I1057-Y1167 HydrophobicContact CG2-CD1 4.49Å; I1057-Y1167 HydrophobicContact CG2-CE1 4.24Å; I1057-F1190 HydrophobicContact CG2-CB 4.34Å; I1057-F1190 HydrophobicContact CG2-CD1 3.75Å; I1057-F1190 HydrophobicContact CG2-CE1 4.41Å; I1057-F1190 HydrophobicContact CG2-CG 4.24Å; I1057-C1193 HydrophobicContact CD1-CB 3.69Å
1058	L	88.8	Confident	87.2	Confident	6 Å²	6	45.8 Å²	45.8	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-62.4	-24.5	-176.9	-74.2	176.4	0	0	0	113.8	E1054 A1055 E1060 I1066 I1067 L1069 F1190	E1054-L1058 HydrophobicContact CG-CD1 3.78Å; E1054-L1058 HydrophobicContact CG-CG 4.4Å; E1054-L1058 VanDerWaalsContact O-CB 3.32Å; E1054-L1058 WeakPolarHBondContact O-CB 3.32Å; E1054-L1058 VanDerWaalsContact O-CG 3.25Å; E1054-L1058 WeakPolarHBondContact O-CG 3.42Å; E1054-L1058 PolarHBondContact O-N 2.97Å; A1055-L1058 PolarHBondContact O-N 3.38Å; L1058-E1060 VanDerWaalsContact C-N 3.27Å; L1058-E1060 PolarHBondContact O-N 3.22Å; L1058-I1066 HydrophobicContact CD2-CG2 4.15Å; L1058-I1067 HydrophobicContact CD1-CG2 4.34Å; L1058-I1067 HydrophobicContact CD2-CG2 3.94Å; L1058-I1067 WeakPolarHBondContact CD2-O 3.26Å; L1058-L1069 HydrophobicContact CB-CB 3.86Å; L1058-L1069 HydrophobicContact CB-CD2 4.5Å; L1058-F1190 HydrophobicContact CD1-CD2 4.44Å; L1058-F1190 HydrophobicContact CD2-CD2 3.4Å; L1058-F1190 HydrophobicContact CD2-CE2 3.47Å; L1058-F1190 VanDerWaalsContact CD2-CE2 3.47Å; L1058-F1190 HydrophobicContact CD2-CG 4.16Å; L1058-F1190 HydrophobicContact CD2-CZ 4.28Å; L1058-F1190 HydrophobicContact CG-CD2 3.94Å; L1058-F1190 HydrophobicContact CG-CE2 4.49Å; L1058-F1190 HydrophobicContact CG-CG 4.41Å
1059	V	84.2	Confident	88	Confident	15 Å²	15	43.1 Å²	43.1	9%	0.091	20%	0.203	C	C	.	.	H	α-helix	trans	-67.5	-28.6	172.6	161.7	0	0	0	0	112.7	K955 F956 L959 A1055 I1057 L1069	K955-V1059 HydrophobicContact CB-CG1 3.28Å; K955-V1059 HydrophobicContact CD-CG1 3.4Å; K955-V1059 VanDerWaalsContact CD-CG1 3.4Å; K955-V1059 HydrophobicContact CG-CG1 3.98Å; F956-V1059 HydrophobicContact CD1-CG2 3.51Å; F956-V1059 HydrophobicContact CE1-CB 4.3Å; F956-V1059 HydrophobicContact CE1-CG2 3.3Å; F956-V1059 HydrophobicContact CZ-CG2 4.3Å; L959-V1059 HydrophobicContact CD1-CG2 3.71Å; A1055-V1059 WeakPolarHBondContact O-CB 3.15Å; A1055-V1059 VanDerWaalsContact O-CG2 3.27Å; A1055-V1059 WeakPolarHBondContact O-CG2 3.27Å; A1055-V1059 PolarHBondContact O-N 2.94Å; I1057-V1059 PolarHBondContact O-N 2.95Å; I1057-V1059 VanDerWaalsContact O-N 3.13Å; V1059-L1069 HydrophobicContact CG2-CD2 3.39Å
1060	E	81.7	Confident	88.7	Confident	83 Å²	83	42.5 Å²	42.5	39%	0.388	19%	0.194	S	C	.	.	H	α-helix	trans	-92.4	-25.5	-178.5	-49.1	-150.5	123.6	0	0	113	K955 E1056 I1057 L1058 Y1167	K955-E1060 IonicContact NZ-OE1 3.61Å; K955-E1060 PolarHBondContact NZ-OE1 3.41Å; E1056-E1060 WeakPolarHBondContact O-CG 3.44Å; I1057-E1060 PolarHBondContact O-N 2.66Å; L1058-E1060 VanDerWaalsContact C-N 3.27Å; L1058-E1060 PolarHBondContact O-N 3.22Å; E1060-Y1167 PolarHBondContact OE2-OH 3.31Å
1061	L	90.1	Very high	88.9	Confident	10 Å²	10	41.1 Å²	41.1	5%	0.052	19%	0.187	C	C	.	.			trans	-85.1	127.5	-177.9	-56.2	-176.2	0	0	0	111.4	I1057 I1066 Y1161 L1162 M1165 Y1167 F1190	I1057-L1061 HydrophobicContact CG2-CD1 3.5Å; I1057-L1061 HydrophobicContact CG2-CG 3.96Å; I1057-L1061 WeakPolarHBondContact O-CG 3.41Å; I1057-L1061 PolarHBondContact O-N 3.46Å; I1057-L1061 VanDerWaalsContact O-N 3.16Å; L1061-I1066 HydrophobicContact CB-CD1 4.4Å; L1061-I1066 HydrophobicContact CB-CG2 4.26Å; L1061-I1066 HydrophobicContact CD1-CD1 4.09Å; L1061-I1066 HydrophobicContact CD1-CG2 4.39Å; L1061-Y1161 HydrophobicContact CB-CE1 4.09Å; L1061-Y1161 HydrophobicContact CD2-CE1 3.83Å; L1061-Y1161 HydrophobicContact CG-CE1 4.45Å; L1061-L1162 HydrophobicContact CD1-CD1 3.72Å; L1061-L1162 HydrophobicContact CD2-CD1 4.34Å; L1061-M1165 HydrophobicContact CD2-CB 4.35Å; L1061-M1165 HydrophobicContact CD2-CG 4.31Å; L1061-Y1167 HydrophobicContact CD2-CD2 4.22Å; L1061-Y1167 HydrophobicContact CD2-CE2 4.05Å; L1061-F1190 HydrophobicContact CD1-CD1 4.03Å; L1061-F1190 HydrophobicContact CD1-CE1 3.46Å; L1061-F1190 VanDerWaalsContact CD1-CE1 3.46Å; L1061-F1190 HydrophobicContact CD1-CZ 3.89Å
1062	Q	87.8	Confident	88.9	Confident	132 Å²	132	40.9 Å²	40.9	62%	0.617	19%	0.186	S	C	*	.			trans	-135.8	100.3	173.6	-70.2	177.4	22.4	0	0	109.2	Y1161	Q1062-Y1161 PolarHBondContact N-OH 3.14Å; Q1062-Y1161 PolarHBondContact O-OH 3.04Å
1063	H	95.6	Very high	89	Confident	57 Å²	57	37.8 Å²	37.8	26%	0.264	17%	0.17	S	C	.	.			trans	-151.7	147.7	179.8	-175.7	-103	0	0	0	110.7	N1065 I1066 E1157 Y1161	H1063-N1065 PolarHBondContact CE1-OD1 3.01Å; H1063-N1065 PolarHBondContact ND1-N 2.85Å; H1063-N1065 VanDerWaalsContact ND1-N 3.15Å; H1063-N1065 PolarHBondContact O-N 3.26Å; H1063-I1066 HydrophobicContact CB-CB 4.27Å; H1063-I1066 HydrophobicContact CB-CD1 4.14Å; H1063-I1066 HydrophobicContact CB-CG1 4.12Å; H1063-I1066 PolarHBondContact O-N 3.13Å; H1063-I1066 VanDerWaalsContact O-N 3.13Å; H1063-E1157 PolarHBondContact CE1-O 3.36Å; H1063-Y1161 HydrophobicContact CB-CD1 3.77Å; H1063-Y1161 HydrophobicContact CB-CD2 4.11Å; H1063-Y1161 HydrophobicContact CB-CE1 3.92Å; H1063-Y1161 HydrophobicContact CB-CE2 4.27Å; H1063-Y1161 HydrophobicContact CB-CG 3.84Å; H1063-Y1161 AromaticContact CD2-CD2 3.97Å; H1063-Y1161 AromaticContact CG-CG 3.88Å
1064	R	95.6	Very high	88.6	Confident	160 Å²	160	36.4 Å²	36.4	60%	0.604	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-31.3	-175.5	82.9	176.7	-131.6	172.1	8	113	D1154 K1186	R1064-D1154 IonicContact CZ-OD1 3.7Å; R1064-D1154 IonicContact NE-OD1 2.71Å; R1064-D1154 IonicContact NH2-OD1 2.65Å; R1064-D1154 PolarHBondContact NH2-OD1 3.07Å; R1064-K1186 WeakPolarHBondContact O-CE 3.31Å
1065	N	97.8	Very high	87.5	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	19	-177.9	-57.7	103.9	0	0	0	112.8	H1063 D1154 A1158 I1185 K1186 L1187	H1063-N1065 PolarHBondContact CE1-OD1 3.01Å; H1063-N1065 PolarHBondContact ND1-N 2.85Å; H1063-N1065 VanDerWaalsContact ND1-N 3.15Å; H1063-N1065 PolarHBondContact O-N 3.26Å; N1065-D1154 VanDerWaalsContact CB-O 3.27Å; N1065-D1154 WeakPolarHBondContact CB-O 2.91Å; N1065-D1154 VanDerWaalsContact CG-O 3.26Å; N1065-D1154 WeakPolarHBondContact ND2-CB 2.93Å; N1065-D1154 PolarHBondContact ND2-OD1 2.6Å; N1065-A1158 HydrophobicContact CB-CB 3.87Å; N1065-A1158 WeakPolarHBondContact O-CB 3.37Å; N1065-I1185 PolarHBondContact ND2-O 2.86Å; N1065-K1186 CarbonylContact O-C 3.57Å; N1065-K1186 VanDerWaalsContact O-CA 3.27Å; N1065-K1186 WeakPolarHBondContact O-CA 3.33Å; N1065-L1187 PolarHBondContact O-N 3.35Å
1066	I	97.7	Very high	86.7	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.026	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-119.7	138.5	171	-67	-176.5	0	0	0	108	L1058 L1061 H1063 Q1068 A1158 Y1161 L1187 F1190	L1058-I1066 HydrophobicContact CD2-CG2 4.15Å; L1061-I1066 HydrophobicContact CB-CD1 4.4Å; L1061-I1066 HydrophobicContact CB-CG2 4.26Å; L1061-I1066 HydrophobicContact CD1-CD1 4.09Å; L1061-I1066 HydrophobicContact CD1-CG2 4.39Å; H1063-I1066 HydrophobicContact CB-CB 4.27Å; H1063-I1066 HydrophobicContact CB-CD1 4.14Å; H1063-I1066 HydrophobicContact CB-CG1 4.12Å; H1063-I1066 PolarHBondContact O-N 3.13Å; H1063-I1066 VanDerWaalsContact O-N 3.13Å; I1066-Q1068 PolarHBondContact O-N 3.04Å; I1066-A1158 HydrophobicContact CG1-CB 4.14Å; I1066-Y1161 HydrophobicContact CD1-CD1 3.44Å; I1066-Y1161 VanDerWaalsContact CD1-CD1 3.44Å; I1066-Y1161 HydrophobicContact CD1-CE1 3.85Å; I1066-L1187 HydrophobicContact CG1-CB 4.45Å; I1066-F1190 HydrophobicContact CD1-CZ 4.36Å; I1066-F1190 HydrophobicContact CG1-CZ 4.49Å; I1066-F1190 HydrophobicContact CG2-CE2 3.92Å; I1066-F1190 HydrophobicContact CG2-CZ 3.69Å
1067	I	95.9	Very high	86.2	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.01	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-61.9	132	179.8	-162.2	64.9	0	0	0	110.2	L1058 I1083 E1084 M1086 L1178 L1187 F1190	L1058-I1067 HydrophobicContact CD1-CG2 4.34Å; L1058-I1067 HydrophobicContact CD2-CG2 3.94Å; L1058-I1067 WeakPolarHBondContact CD2-O 3.26Å; I1067-I1083 HydrophobicContact CG1-CB 4.41Å; I1067-E1084 HydrophobicContact CD1-CB 3.86Å; I1067-E1084 HydrophobicContact CD1-CG 4.37Å; I1067-E1084 HydrophobicContact CG1-CB 4.47Å; I1067-M1086 HydrophobicContact CD1-CG 3.58Å; I1067-M1086 HydrophobicContact CD1-SD 4.31Å; I1067-L1178 HydrophobicContact CD1-CD1 3.95Å; I1067-L1178 HydrophobicContact CG1-CD1 4.29Å; I1067-L1187 WeakPolarHBondContact CB-O 3.35Å; I1067-L1187 WeakPolarHBondContact CG2-O 3.37Å; I1067-L1187 PolarHBondContact N-O 3.42Å; I1067-F1190 HydrophobicContact CG2-CE2 4.48Å
1068	Q	92.4	Very high	85.9	Confident	112 Å²	112	44.5 Å²	44.5	52%	0.523	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-84.9	129.5	-177.9	-169.4	175.7	8.4	0	0	111.2	I1066 L1070 I1083 E1084	I1066-Q1068 PolarHBondContact O-N 3.04Å; Q1068-L1070 HydrophobicContact CB-CD2 4.3Å; Q1068-L1070 HydrophobicContact CG-CD2 3.97Å; Q1068-L1070 PolarHBondContact O-N 3.19Å; Q1068-I1083 WeakPolarHBondContact O-CA 3.36Å; Q1068-E1084 HydrophobicContact CB-CB 4.29Å; Q1068-E1084 PolarHBondContact O-N 3.34Å
1069	L	92	Very high	85.6	Confident	10 Å²	10	45 Å²	45	5%	0.052	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	119.2	162.6	-177.2	74.2	0	0	0	109.4	F956 L959 L1058 V1059 G1071 V1072 L1081 I1083	F956-L1069 HydrophobicContact CE1-CD2 4.37Å; L959-L1069 HydrophobicContact CD1-CD2 4.38Å; L1058-L1069 HydrophobicContact CB-CB 3.86Å; L1058-L1069 HydrophobicContact CB-CD2 4.5Å; V1059-L1069 HydrophobicContact CG2-CD2 3.39Å; L1069-G1071 WeakPolarHBondContact CD1-O 3.02Å; L1069-V1072 HydrophobicContact CD2-CG2 4.36Å; L1069-L1081 HydrophobicContact CD1-CB 3.86Å; L1069-L1081 HydrophobicContact CD1-CD1 4.46Å; L1069-L1081 HydrophobicContact CD1-CD2 4.15Å; L1069-L1081 HydrophobicContact CD1-CG 4.35Å; L1069-I1083 HydrophobicContact CD1-CG2 3.93Å
1070	L	89.4	Confident	85.8	Confident	27 Å²	27	44.3 Å²	44.3	14%	0.141	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-29.2	179.4	-53.4	179.6	0	0	0	112.2	L988 A1034 Q1068 L1082	L988-L1070 HydrophobicContact CD2-CB 3.93Å; L988-L1070 HydrophobicContact CD2-CD1 3.81Å; L988-L1070 HydrophobicContact CD2-CG 4.47Å; A1034-L1070 HydrophobicContact CB-CD1 3.96Å; Q1068-L1070 HydrophobicContact CB-CD2 4.3Å; Q1068-L1070 HydrophobicContact CG-CD2 3.97Å; Q1068-L1070 PolarHBondContact O-N 3.19Å; L1070-L1082 WeakPolarHBondContact CA-O 3.27Å; L1070-L1082 HydrophobicContact CB-CB 4.35Å; L1070-L1082 WeakPolarHBondContact CB-O 3.46Å; L1070-L1082 PolarHBondContact N-O 3.48Å
1071	G	85.1	Confident	86.3	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.5	167.9	178.7	0	0	0	0	0	115.3	L959 L1069 L1082	L959-G1071 CarbonylContact O-C 3.58Å; L959-G1071 WeakPolarHBondContact O-CA 3.35Å; L1069-G1071 WeakPolarHBondContact CD1-O 3.02Å; G1071-L1082 PolarHBondContact N-O 3.31Å; G1071-L1082 PolarHBondContact O-N 2.98Å
1072	V	83.9	Confident	86.4	Confident	6 Å²	6	40 Å²	40	4%	0.036	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.4	170.8	-177.7	0	0	0	0	108.1	F956 L959 C960 Y961 L1069 L1076 L1081	F956-V1072 HydrophobicContact CD1-CG2 3.63Å; F956-V1072 HydrophobicContact CE1-CG2 4.06Å; F956-V1072 HydrophobicContact CG-CG2 4.4Å; L959-V1072 PolarHBondContact O-N 3.05Å; C960-V1072 CarbonylContact C-O 3.57Å; C960-V1072 VanDerWaalsContact CA-O 3.26Å; C960-V1072 WeakPolarHBondContact CA-O 3.06Å; Y961-V1072 PolarHBondContact N-O 3.04Å; L1069-V1072 HydrophobicContact CD2-CG2 4.36Å; V1072-L1076 HydrophobicContact CG1-CD2 3.61Å; V1072-L1081 HydrophobicContact CB-CD2 4.48Å; V1072-L1081 HydrophobicContact CG1-CD2 4.26Å; V1072-L1081 HydrophobicContact CG2-CD2 3.89Å
1073	C	83.7	Confident	86.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	145.2	-173.7	-55.3	0	0	0	0	113.2	Y961 R963 L1036 L1076 S1080	Y961-C1073 CarbonylContact O-C 3.53Å; Y961-C1073 WeakPolarHBondContact O-CA 3.09Å; R963-C1073 HydrophobicContact CB-CB 4.07Å; R963-C1073 HydrophobicContact CG-CB 4.47Å; L1036-C1073 WeakPolarHBondContact CD1-SG 2.77Å; C1073-L1076 WeakPolarHBondContact O-CD2 3Å; C1073-S1080 PolarHBondContact N-O 3.06Å
1074	I	73.6	Confident	86.5	Confident	33 Å²	33	34.1 Å²	34.1	17%	0.169	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.3	171.2	-61.6	-174.4	0	0	0	109.4	V945 C960 Y961 R963	V945-I1074 HydrophobicContact CG1-CG2 4.35Å; V945-I1074 HydrophobicContact CG2-CG2 3.96Å; C960-I1074 HydrophobicContact CB-CD1 3.42Å; C960-I1074 VanDerWaalsContact CB-CD1 3.42Å; C960-I1074 HydrophobicContact CB-CG1 3.95Å; Y961-I1074 PolarHBondContact O-N 3.45Å; R963-I1074 WeakPolarHBondContact CB-O 3.5Å; R963-I1074 PolarHBondContact N-O 2.8Å
1075	P	66.5	Low	86.4	Confident	78 Å²	78	29.2 Å²	29.2	51%	0.506	15%	0.149	S	C	.	.	S	Bend	cis	-64	153.1	-2.5	29.2	-35.1	0	0	0	112.2	E1077	P1075-E1077 PolarHBondContact O-N 2.69Å
1076	L	70	Confident	86.1	Confident	19 Å²	19	29.7 Å²	29.7	10%	0.099	15%	0.151	C	C	.	.			trans	-73.9	-6.4	-175.1	-73	170.8	0	0	0	113.3	M948 L952 V1072 C1073 P1078 L1079	M948-L1076 HydrophobicContact CB-CD1 3.96Å; M948-L1076 HydrophobicContact CE-CD1 3.38Å; M948-L1076 HydrophobicContact CG-CD1 4.49Å; M948-L1076 HydrophobicContact SD-CB 4.38Å; M948-L1076 HydrophobicContact SD-CD1 3.68Å; L952-L1076 HydrophobicContact CD1-CD1 4.09Å; L952-L1076 HydrophobicContact CD2-CD1 4.04Å; L952-L1076 HydrophobicContact CD2-CD2 4.4Å; L952-L1076 HydrophobicContact CG-CD1 4.15Å; V1072-L1076 HydrophobicContact CG1-CD2 3.61Å; C1073-L1076 WeakPolarHBondContact O-CD2 3Å; L1076-P1078 CarbonylContact O-C 3.59Å; L1076-L1079 HydrophobicContact CB-CD2 4.22Å; L1076-L1079 HydrophobicContact CD2-CD2 4.47Å; L1076-L1079 WeakPolarHBondContact O-CA 3.3Å; L1076-L1079 WeakPolarHBondContact O-CD2 3.45Å; L1076-L1079 PolarHBondContact O-N 3.19Å
1077	E	70.8	Confident	85.6	Confident	132 Å²	132	31.4 Å²	31.4	62%	0.617	16%	0.163	S	C	*	.	S	Bend	trans	-112.1	116.7	177.9	-165.3	171	179.8	0	0	109.3	P1075	P1075-E1077 PolarHBondContact O-N 2.69Å
1078	P	80.4	Confident	85.2	Confident	47 Å²	47	33.1 Å²	33.1	31%	0.305	17%	0.17	S	C	.	.	S	Bend	cis	-73.2	150.8	-3.5	32	-35.5	0	0	0	112.9	I1039 L1076 S1080	I1039-P1078 HydrophobicContact CG2-CB 4.5Å; L1076-P1078 CarbonylContact O-C 3.59Å; P1078-S1080 PolarHBondContact O-N 3.29Å; P1078-S1080 PolarHBondContact O-OG 3.26Å
1079	L	83.4	Confident	85.1	Confident	18 Å²	18	29.1 Å²	29.1	9%	0.094	16%	0.159	C	C	.	.			trans	-59.1	126	179.1	-68	168.5	0	0	0	109.9	M1038 I1039 E1048 F1051 L1052 L1076	M1038-L1079 WeakPolarHBondContact CA-O 3.3Å; I1039-L1079 HydrophobicContact CB-CB 4.44Å; I1039-L1079 HydrophobicContact CG2-CB 3.74Å; I1039-L1079 PolarHBondContact N-O 2.72Å; E1048-L1079 HydrophobicContact CB-CD1 4.11Å; E1048-L1079 HydrophobicContact CG-CD1 4.2Å; F1051-L1079 HydrophobicContact CD1-CB 3.63Å; F1051-L1079 HydrophobicContact CD1-CD1 4.28Å; F1051-L1079 VanDerWaalsContact CE1-C 3.47Å; F1051-L1079 HydrophobicContact CE1-CB 3.55Å; F1051-L1079 WeakPolarHBondContact CE1-O 3.44Å; F1051-L1079 HydrophobicContact CZ-CB 4.46Å; F1051-L1079 WeakPolarHBondContact CZ-O 3.23Å; L1052-L1079 HydrophobicContact CD1-CD1 4.39Å; L1052-L1079 HydrophobicContact CD2-CD1 4.19Å; L1052-L1079 HydrophobicContact CD2-CD2 3.8Å; L1052-L1079 HydrophobicContact CG-CD1 3.99Å; L1052-L1079 HydrophobicContact CG-CD2 4.47Å; L1076-L1079 HydrophobicContact CB-CD2 4.22Å; L1076-L1079 HydrophobicContact CD2-CD2 4.47Å; L1076-L1079 WeakPolarHBondContact O-CA 3.3Å; L1076-L1079 WeakPolarHBondContact O-CD2 3.45Å; L1076-L1079 PolarHBondContact O-N 3.19Å
1080	S	89.1	Confident	85.2	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	128.7	-167.6	-63.6	0	0	0	0	111.3	R963 K1037 C1073 P1078	R963-S1080 PolarHBondContact NH1-OG 2.88Å; K1037-S1080 CarbonylContact O-C 3.56Å; K1037-S1080 WeakPolarHBondContact O-CA 3.29Å; C1073-S1080 PolarHBondContact N-O 3.06Å; P1078-S1080 PolarHBondContact O-N 3.29Å; P1078-S1080 PolarHBondContact O-OG 3.26Å
1081	L	91.5	Very high	85.5	Confident	3 Å²	3	29 Å²	29	2%	0.016	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.8	-179.9	-55.2	177.9	0	0	0	109.8	L1036 K1037 F1051 E1054 A1055 L1069 V1072 I1083	L1036-L1081 CarbonylContact C-O 3.45Å; L1036-L1081 WeakPolarHBondContact CA-O 3.3Å; K1037-L1081 HydrophobicContact CB-CB 4.47Å; K1037-L1081 PolarHBondContact N-O 2.58Å; K1037-L1081 PolarHBondContact O-N 2.99Å; F1051-L1081 HydrophobicContact CD1-CD1 4.45Å; F1051-L1081 HydrophobicContact CD1-CG 4.46Å; F1051-L1081 HydrophobicContact CE1-CD1 3.95Å; F1051-L1081 HydrophobicContact CE1-CD2 4.11Å; F1051-L1081 HydrophobicContact CE1-CG 3.57Å; F1051-L1081 HydrophobicContact CZ-CB 4.42Å; F1051-L1081 HydrophobicContact CZ-CD1 3.99Å; F1051-L1081 HydrophobicContact CZ-CG 3.65Å; E1054-L1081 HydrophobicContact CG-CD1 4.44Å; A1055-L1081 HydrophobicContact CB-CD1 3.93Å; A1055-L1081 HydrophobicContact CB-CD2 3.56Å; A1055-L1081 HydrophobicContact CB-CG 4.4Å; L1069-L1081 HydrophobicContact CD1-CB 3.86Å; L1069-L1081 HydrophobicContact CD1-CD1 4.46Å; L1069-L1081 HydrophobicContact CD1-CD2 4.15Å; L1069-L1081 HydrophobicContact CD1-CG 4.35Å; V1072-L1081 HydrophobicContact CB-CD2 4.48Å; V1072-L1081 HydrophobicContact CG1-CD2 4.26Å; V1072-L1081 HydrophobicContact CG2-CD2 3.89Å; L1081-I1083 HydrophobicContact CB-CG2 4.37Å
1082	L	92.1	Very high	85.9	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	116.7	167.4	-71	169.2	0	0	0	108.5	Y961 L966 V983 L988 A1034 V1035 L1036 L1070 G1071	Y961-L1082 HydrophobicContact CD1-CD1 3.62Å; Y961-L1082 HydrophobicContact CD2-CD1 4.25Å; Y961-L1082 HydrophobicContact CE1-CD1 4.38Å; Y961-L1082 HydrophobicContact CG-CD1 3.55Å; L966-L1082 HydrophobicContact CD1-CD1 4.42Å; L966-L1082 HydrophobicContact CD1-CD2 3.82Å; L966-L1082 HydrophobicContact CD1-CG 4.42Å; L966-L1082 HydrophobicContact CD2-CD1 3.96Å; L966-L1082 HydrophobicContact CD2-CD2 3.71Å; L966-L1082 HydrophobicContact CD2-CG 4.45Å; L966-L1082 HydrophobicContact CG-CD2 4.44Å; V983-L1082 HydrophobicContact CG2-CD2 3.68Å; L988-L1082 HydrophobicContact CD1-CD1 4.47Å; A1034-L1082 HydrophobicContact CB-CD2 4.43Å; V1035-L1082 CarbonylContact O-C 3.57Å; V1035-L1082 WeakPolarHBondContact O-CA 3.49Å; L1036-L1082 HydrophobicContact CB-CD2 4.27Å; L1036-L1082 HydrophobicContact CD1-CD2 3.87Å; L1036-L1082 HydrophobicContact CD1-CG 4.3Å; L1070-L1082 WeakPolarHBondContact CA-O 3.27Å; L1070-L1082 HydrophobicContact CB-CB 4.35Å; L1070-L1082 WeakPolarHBondContact CB-O 3.46Å; L1070-L1082 PolarHBondContact N-O 3.48Å; G1071-L1082 PolarHBondContact N-O 3.31Å; G1071-L1082 PolarHBondContact O-N 2.98Å
1083	I	92.8	Very high	86.1	Confident	15 Å²	15	33.5 Å²	33.5	8%	0.077	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	160.7	178.8	64.1	179.8	0	0	0	110.3	V1035 K1037 I1067 Q1068 L1069 L1081	V1035-I1083 HydrophobicContact CB-CD1 4.47Å; V1035-I1083 HydrophobicContact CB-CG1 3.8Å; V1035-I1083 HydrophobicContact CG1-CD1 4.16Å; V1035-I1083 HydrophobicContact CG1-CG1 3.95Å; V1035-I1083 PolarHBondContact N-O 2.79Å; V1035-I1083 PolarHBondContact O-N 3.3Å; K1037-I1083 HydrophobicContact CB-CD1 4.44Å; I1067-I1083 HydrophobicContact CG1-CB 4.41Å; Q1068-I1083 WeakPolarHBondContact O-CA 3.36Å; L1069-I1083 HydrophobicContact CD1-CG2 3.93Å; L1081-I1083 HydrophobicContact CB-CG2 4.37Å
1084	E	92.9	Very high	86.5	Confident	49 Å²	49	33.5 Å²	33.5	23%	0.229	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	141.2	175.5	178.2	-175.9	-172	0	0	112.3	I1067 Q1068 K1186	I1067-E1084 HydrophobicContact CD1-CB 3.86Å; I1067-E1084 HydrophobicContact CD1-CG 4.37Å; I1067-E1084 HydrophobicContact CG1-CB 4.47Å; Q1068-E1084 HydrophobicContact CB-CB 4.29Å; Q1068-E1084 PolarHBondContact O-N 3.34Å; E1084-K1186 IonicContact OE1-NZ 3.63Å; E1084-K1186 PolarHBondContact OE1-NZ 2.94Å; E1084-K1186 IonicContact OE2-NZ 3.94Å; E1084-K1186 PolarHBondContact OE2-NZ 3.16Å
1085	Y	93.3	Very high	87.4	Confident	57 Å²	57	32 Å²	32	22%	0.224	17%	0.173	C	C	.	.			trans	-85.4	123.1	176.2	174.3	-124.8	0	0	0	112	L972 L982 I1033 V1035 P1087	L972-Y1085 HydrophobicContact CD1-CD2 4.4Å; L972-Y1085 HydrophobicContact CD1-CE2 4.1Å; L982-Y1085 HydrophobicContact CD1-CD1 4.14Å; L982-Y1085 HydrophobicContact CD1-CD2 3.48Å; L982-Y1085 VanDerWaalsContact CD1-CD2 3.48Å; L982-Y1085 HydrophobicContact CD1-CE1 4.22Å; L982-Y1085 HydrophobicContact CD1-CE2 3.59Å; L982-Y1085 HydrophobicContact CD1-CG 3.76Å; I1033-Y1085 HydrophobicContact CG2-CD1 3.84Å; I1033-Y1085 HydrophobicContact CG2-CE1 4.48Å; I1033-Y1085 HydrophobicContact CG2-CG 4.15Å; V1035-Y1085 HydrophobicContact CG2-CD2 3.6Å; V1035-Y1085 HydrophobicContact CG2-CG 4.27Å; Y1085-P1087 HydrophobicContact CE1-CB 3.83Å
1086	M	92.5	Very high	88.5	Confident	11 Å²	11	32.6 Å²	32.6	5%	0.054	17%	0.166	C	C	.	.			trans	-107	104.6	175.1	-65.3	-68.6	-79.5	0	0	109.4	I1067 F1088 G1089 L1178 G1180 K1186	I1067-M1086 HydrophobicContact CD1-CG 3.58Å; I1067-M1086 HydrophobicContact CD1-SD 4.31Å; M1086-F1088 VanDerWaalsContact C-N 3.28Å; M1086-F1088 PolarHBondContact O-N 3.28Å; M1086-F1088 VanDerWaalsContact O-N 3.16Å; M1086-G1089 PolarHBondContact O-N 3.18Å; M1086-L1178 HydrophobicContact CB-CB 3.66Å; M1086-L1178 HydrophobicContact CB-CD1 4.11Å; M1086-L1178 HydrophobicContact CB-CG 4.45Å; M1086-L1178 HydrophobicContact CE-CB 4.03Å; M1086-L1178 WeakPolarHBondContact CE-O 3.22Å; M1086-L1178 HydrophobicContact CG-CB 3.65Å; M1086-L1178 HydrophobicContact CG-CD1 3.89Å; M1086-L1178 HydrophobicContact CG-CG 4.43Å; M1086-G1180 VanDerWaalsContact CE-CA 3.42Å; M1086-K1186 HydrophobicContact CE-CB 3.83Å; M1086-K1186 HydrophobicContact CE-CD 3.96Å; M1086-K1186 HydrophobicContact CE-CG 3.56Å; M1086-K1186 HydrophobicContact SD-CD 3.9Å; M1086-K1186 HydrophobicContact SD-CG 4.2Å
1087	P	87.3	Confident	89.1	Confident	40 Å²	40	36.8 Å²	36.8	26%	0.26	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.4	-163.2	22	-35.2	0	0	0	116.3	Y1085 K1181	Y1085-P1087 HydrophobicContact CE1-CB 3.83Å; P1087-K1181 HydrophobicContact CG-CG 3.88Å
1088	F	87.7	Confident	89.6	Confident	39 Å²	39	32.7 Å²	32.7	17%	0.171	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-2.8	-176.2	-59.5	-62.1	0	0	0	113.8	M1086 F1094 R1097 C1139 V1179 G1180	M1086-F1088 VanDerWaalsContact C-N 3.28Å; M1086-F1088 PolarHBondContact O-N 3.28Å; M1086-F1088 VanDerWaalsContact O-N 3.16Å; F1088-F1094 HydrophobicContact CB-CD2 3.94Å; F1088-F1094 HydrophobicContact CB-CE2 4.33Å; F1088-F1094 HydrophobicContact CG-CE2 4.41Å; F1088-R1097 PolarHBondContact O-NH1 2.75Å; F1088-C1139 HydrophobicContact CE1-CB 3.94Å; F1088-C1139 HydrophobicContact CZ-CB 4.19Å; F1088-V1179 HydrophobicContact CB-CB 3.84Å; F1088-V1179 HydrophobicContact CB-CG1 4.05Å; F1088-V1179 WeakPolarHBondContact CB-O 3.32Å; F1088-V1179 HydrophobicContact CD2-CG1 4.04Å; F1088-V1179 HydrophobicContact CG-CG1 4.45Å; F1088-V1179 PolarHBondContact N-O 3.4Å; F1088-V1179 VanDerWaalsContact N-O 3.13Å; F1088-G1180 WeakPolarHBondContact CD2-O 3.17Å; F1088-G1180 WeakPolarHBondContact CE2-O 3.35Å
1089	G	89.6	Confident	89.4	Confident	27 Å²	27	33.6 Å²	33.6	28%	0.278	16%	0.162	S	C	.	.			trans	83.5	-158.3	179	0	0	0	0	0	113	M1086 L1178 V1179	M1086-G1089 PolarHBondContact O-N 3.18Å; G1089-L1178 CarbonylContact O-C 3.58Å; G1089-L1178 WeakPolarHBondContact O-CA 3.39Å; G1089-V1179 PolarHBondContact O-N 3.38Å
1090	D	92.9	Very high	88.2	Confident	34 Å²	34	36 Å²	36	18%	0.182	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-71.6	152.3	175	59.4	88.8	0	0	0	112.7	Y1092 S1093 F1094 F1177 L1178	D1090-Y1092 VanDerWaalsContact C-N 3.31Å; D1090-Y1092 PolarHBondContact O-N 3.22Å; D1090-Y1092 WeakPolarHBondContact OD1-CB 3.46Å; D1090-S1093 VanDerWaalsContact CG-OG 3.3Å; D1090-S1093 PolarHBondContact O-N 2.8Å; D1090-S1093 VanDerWaalsContact OD1-CB 3.22Å; D1090-S1093 WeakPolarHBondContact OD1-CB 3.39Å; D1090-S1093 PolarHBondContact OD1-N 2.55Å; D1090-S1093 PolarHBondContact OD1-OG 3.28Å; D1090-S1093 PolarHBondContact OD2-OG 2.84Å; D1090-F1094 PolarHBondContact O-N 3.25Å; D1090-F1177 CarbonylContact C-O 3.51Å; D1090-F1177 VanDerWaalsContact CA-O 3.27Å; D1090-F1177 WeakPolarHBondContact CA-O 3.19Å; D1090-L1178 HydrophobicContact CB-CD2 4.1Å
1091	F	96.3	Very high	86.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.6	-32.9	-173.5	-169.1	-156.9	0	0	0	111.8	F1094 L1095 M1151 T1174 F1177 V1179 I1185 V1241	F1091-F1094 HydrophobicContact CD2-CB 4.49Å; F1091-F1094 HydrophobicContact CD2-CD1 4.11Å; F1091-F1094 HydrophobicContact CE2-CD1 4.22Å; F1091-F1094 PolarHBondContact O-N 2.73Å; F1091-L1095 HydrophobicContact CD1-CD1 4.45Å; F1091-L1095 HydrophobicContact CD2-CD1 3.98Å; F1091-L1095 HydrophobicContact CD2-CD2 4.4Å; F1091-L1095 HydrophobicContact CD2-CG 3.84Å; F1091-L1095 HydrophobicContact CE1-CD1 4.37Å; F1091-L1095 HydrophobicContact CE2-CD1 3.88Å; F1091-L1095 HydrophobicContact CE2-CD2 3.75Å; F1091-L1095 HydrophobicContact CE2-CG 3.69Å; F1091-L1095 HydrophobicContact CG-CD1 4.27Å; F1091-L1095 HydrophobicContact CZ-CD1 4.09Å; F1091-L1095 HydrophobicContact CZ-CD2 4.24Å; F1091-L1095 HydrophobicContact CZ-CG 4.33Å; F1091-L1095 WeakPolarHBondContact O-CB 3.48Å; F1091-L1095 VanDerWaalsContact O-CG 3.27Å; F1091-L1095 WeakPolarHBondContact O-CG 3Å; F1091-L1095 PolarHBondContact O-N 3.4Å; F1091-M1151 HydrophobicContact CE2-CB 4.39Å; F1091-M1151 HydrophobicContact CE2-CE 4.06Å; F1091-M1151 HydrophobicContact CE2-SD 3.69Å; F1091-M1151 HydrophobicContact CZ-CB 3.85Å; F1091-M1151 HydrophobicContact CZ-SD 4.05Å; F1091-T1174 WeakPolarHBondContact CB-O 3.45Å; F1091-T1174 HydrophobicContact CD1-CG2 4.3Å; F1091-T1174 PolarHBondContact N-O 3.43Å; F1091-F1177 HydrophobicContact CB-CB 4.04Å; F1091-F1177 HydrophobicContact CD1-CB 4.39Å; F1091-F1177 PolarHBondContact N-O 2.69Å; F1091-V1179 HydrophobicContact CB-CG2 3.89Å; F1091-V1179 HydrophobicContact CD2-CG2 3.7Å; F1091-V1179 HydrophobicContact CG-CG2 4.12Å; F1091-I1185 HydrophobicContact CD1-CD1 4.32Å; F1091-I1185 HydrophobicContact CD2-CD1 3.97Å; F1091-I1185 HydrophobicContact CE1-CD1 4.41Å; F1091-I1185 HydrophobicContact CE2-CD1 4.08Å; F1091-I1185 HydrophobicContact CG-CD1 4.11Å; F1091-I1185 HydrophobicContact CZ-CD1 4.3Å; F1091-V1241 HydrophobicContact CD1-CG2 4.22Å; F1091-V1241 HydrophobicContact CE1-CG1 4.47Å; F1091-V1241 HydrophobicContact CE1-CG2 3.39Å; F1091-V1241 HydrophobicContact CZ-CG1 4.08Å; F1091-V1241 HydrophobicContact CZ-CG2 3.81Å
1092	Y	94	Very high	83.9	Confident	59 Å²	59	49.7 Å²	49.7	23%	0.231	26%	0.255	C	S	.	.	H	α-helix	trans	-54.1	-57.8	170.7	176.9	-87.1	0	0	0	111	D1090 F1094 L1095 R1096 T1174 A1245	D1090-Y1092 VanDerWaalsContact C-N 3.31Å; D1090-Y1092 PolarHBondContact O-N 3.22Å; D1090-Y1092 WeakPolarHBondContact OD1-CB 3.46Å; Y1092-F1094 VanDerWaalsContact C-N 3.28Å; Y1092-F1094 PolarHBondContact O-N 3.35Å; Y1092-L1095 PolarHBondContact O-N 3.16Å; Y1092-R1096 HydrophobicContact CD1-CG 4.22Å; Y1092-R1096 HydrophobicContact CE1-CG 3.77Å; Y1092-R1096 WeakPolarHBondContact O-CG 3Å; Y1092-R1096 PolarHBondContact O-N 2.91Å; Y1092-T1174 WeakPolarHBondContact CB-OG1 3.28Å; Y1092-T1174 PolarHBondContact N-O 3.21Å; Y1092-A1245 HydrophobicContact CD2-CB 3.6Å; Y1092-A1245 HydrophobicContact CE2-CB 3.82Å; Y1092-A1245 WeakPolarHBondContact CE2-O 3.24Å; Y1092-A1245 HydrophobicContact CG-CB 4.14Å
1093	S	88.4	Confident	81.2	Confident	42 Å²	42	56 Å²	56	29%	0.294	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-34.3	-179.1	-60	0	0	0	0	112.2	D1090 R1097	D1090-S1093 VanDerWaalsContact CG-OG 3.3Å; D1090-S1093 PolarHBondContact O-N 2.8Å; D1090-S1093 VanDerWaalsContact OD1-CB 3.22Å; D1090-S1093 WeakPolarHBondContact OD1-CB 3.39Å; D1090-S1093 PolarHBondContact OD1-N 2.55Å; D1090-S1093 PolarHBondContact OD1-OG 3.28Å; D1090-S1093 PolarHBondContact OD2-OG 2.84Å; S1093-R1097 WeakPolarHBondContact O-CG 3.13Å
1094	F	91.5	Very high	78.6	Confident	1 Å²	1	58.2 Å²	58.2	0%	0.004	32%	0.323	C	S	.	.	H	α-helix	trans	-62.7	-46.9	174.6	-179.3	-96.2	0	0	0	111.8	F1088 D1090 F1091 Y1092 R1097 Y1098 L1143 M1151 V1179 L1183	F1088-F1094 HydrophobicContact CB-CD2 3.94Å; F1088-F1094 HydrophobicContact CB-CE2 4.33Å; F1088-F1094 HydrophobicContact CG-CE2 4.41Å; D1090-F1094 PolarHBondContact O-N 3.25Å; F1091-F1094 HydrophobicContact CD2-CB 4.49Å; F1091-F1094 HydrophobicContact CD2-CD1 4.11Å; F1091-F1094 HydrophobicContact CE2-CD1 4.22Å; F1091-F1094 PolarHBondContact O-N 2.73Å; Y1092-F1094 VanDerWaalsContact C-N 3.28Å; Y1092-F1094 PolarHBondContact O-N 3.35Å; F1094-R1097 WeakPolarHBondContact O-CB 3.03Å; F1094-R1097 PolarHBondContact O-N 2.89Å; F1094-Y1098 HydrophobicContact CD1-CE2 4.32Å; F1094-Y1098 HydrophobicContact CD2-CE2 4.48Å; F1094-Y1098 HydrophobicContact CE1-CD2 4.44Å; F1094-Y1098 AromaticContact CE1-CE2 3.82Å; F1094-Y1098 HydrophobicContact CE1-CE2 3.82Å; F1094-Y1098 HydrophobicContact CE2-CE2 4.01Å; F1094-Y1098 AromaticContact CZ-CE2 3.64Å; F1094-Y1098 HydrophobicContact CZ-CE2 3.64Å; F1094-Y1098 VanDerWaalsContact O-CD2 3.3Å; F1094-Y1098 WeakPolarHBondContact O-CD2 2.98Å; F1094-L1143 HydrophobicContact CD1-CD1 4.39Å; F1094-L1143 HydrophobicContact CE1-CD1 3.75Å; F1094-L1143 HydrophobicContact CE1-CD2 4.08Å; F1094-L1143 HydrophobicContact CE1-CG 4.46Å; F1094-L1143 HydrophobicContact CZ-CD2 4.32Å; F1094-M1151 HydrophobicContact CD1-CE 3.92Å; F1094-M1151 HydrophobicContact CE1-CE 3.34Å; F1094-M1151 HydrophobicContact CE1-SD 4.13Å; F1094-M1151 HydrophobicContact CZ-CE 3.88Å; F1094-V1179 HydrophobicContact CB-CG2 3.84Å; F1094-V1179 HydrophobicContact CD1-CG2 4.24Å; F1094-V1179 HydrophobicContact CD2-CB 4.46Å; F1094-V1179 HydrophobicContact CD2-CG1 4.2Å; F1094-V1179 HydrophobicContact CD2-CG2 4.48Å; F1094-V1179 HydrophobicContact CE2-CG1 4.27Å; F1094-V1179 HydrophobicContact CG-CB 4.4Å; F1094-V1179 HydrophobicContact CG-CG1 4.33Å; F1094-V1179 HydrophobicContact CG-CG2 3.94Å; F1094-V1179 HydrophobicContact CZ-CG1 4.45Å; F1094-L1183 HydrophobicContact CE2-CD2 4.21Å; F1094-L1183 HydrophobicContact CZ-CD2 3.72Å
1095	L	92.8	Very high	75.8	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-67.1	-42.2	180	-70.8	166.7	0	0	0	112.7	F1091 Y1092 R1097 Y1098 D1099 L1143 L1148 T1174 V1241 A1245	F1091-L1095 HydrophobicContact CD1-CD1 4.45Å; F1091-L1095 HydrophobicContact CD2-CD1 3.98Å; F1091-L1095 HydrophobicContact CD2-CD2 4.4Å; F1091-L1095 HydrophobicContact CD2-CG 3.84Å; F1091-L1095 HydrophobicContact CE1-CD1 4.37Å; F1091-L1095 HydrophobicContact CE2-CD1 3.88Å; F1091-L1095 HydrophobicContact CE2-CD2 3.75Å; F1091-L1095 HydrophobicContact CE2-CG 3.69Å; F1091-L1095 HydrophobicContact CG-CD1 4.27Å; F1091-L1095 HydrophobicContact CZ-CD1 4.09Å; F1091-L1095 HydrophobicContact CZ-CD2 4.24Å; F1091-L1095 HydrophobicContact CZ-CG 4.33Å; F1091-L1095 WeakPolarHBondContact O-CB 3.48Å; F1091-L1095 VanDerWaalsContact O-CG 3.27Å; F1091-L1095 WeakPolarHBondContact O-CG 3Å; F1091-L1095 PolarHBondContact O-N 3.4Å; Y1092-L1095 PolarHBondContact O-N 3.16Å; L1095-R1097 PolarHBondContact O-N 2.98Å; L1095-R1097 VanDerWaalsContact O-N 3.08Å; L1095-Y1098 PolarHBondContact O-N 3.15Å; L1095-D1099 PolarHBondContact O-N 2.55Å; L1095-L1143 HydrophobicContact CD2-CD1 4.21Å; L1095-L1148 HydrophobicContact CD2-CD2 3.74Å; L1095-T1174 HydrophobicContact CD1-CG2 4.06Å; L1095-V1241 HydrophobicContact CD1-CB 4.39Å; L1095-V1241 HydrophobicContact CD1-CG2 4.11Å; L1095-A1245 HydrophobicContact CB-CB 3.81Å; L1095-A1245 HydrophobicContact CD1-CB 4.21Å
1096	R	88.8	Confident	73.1	Confident	91 Å²	91	69.4 Å²	69.4	34%	0.343	37%	0.374	S	S	.	.	H	α-helix	trans	-57.4	-24.9	177.8	-69	-57.1	-59.7	159.2	7.7	113.2	Y1092 Y1098 D1099 Y1244 A1245	Y1092-R1096 HydrophobicContact CD1-CG 4.22Å; Y1092-R1096 HydrophobicContact CE1-CG 3.77Å; Y1092-R1096 WeakPolarHBondContact O-CG 3Å; Y1092-R1096 PolarHBondContact O-N 2.91Å; R1096-Y1098 VanDerWaalsContact C-N 3.26Å; R1096-Y1098 PolarHBondContact O-N 3.27Å; R1096-D1099 IonicContact CZ-OD2 3.76Å; R1096-D1099 IonicContact NH1-OD2 3.58Å; R1096-D1099 PolarHBondContact NH1-OD2 3.21Å; R1096-D1099 IonicContact NH2-OD2 2.65Å; R1096-D1099 PolarHBondContact NH2-OD2 3.07Å; R1096-Y1244 WeakPolarHBondContact CD-O 3.42Å; R1096-Y1244 PolarHBondContact NH1-O 3.13Å; R1096-A1245 WeakPolarHBondContact CD-O 3.27Å; R1096-A1245 HydrophobicContact CG-CB 3.97Å
1097	R	83.1	Confident	70.5	Confident	108 Å²	108	72.8 Å²	72.8	41%	0.408	40%	0.398	S	S	.	.	H	α-helix	trans	-69	-21.9	175.2	-67.3	172.6	-169.7	145.3	7.7	113.4	F1088 S1093 F1094 L1095	F1088-R1097 PolarHBondContact O-NH1 2.75Å; S1093-R1097 WeakPolarHBondContact O-CG 3.13Å; F1094-R1097 WeakPolarHBondContact O-CB 3.03Å; F1094-R1097 PolarHBondContact O-N 2.89Å; L1095-R1097 PolarHBondContact O-N 2.98Å; L1095-R1097 VanDerWaalsContact O-N 3.08Å
1098	Y	82.2	Confident	67.9	Low	45 Å²	45	78.1 Å²	78.1	18%	0.176	42%	0.417	C	S	.	.	H	α-helix	trans	-101.2	-8.5	-179.1	-67.1	-85.9	0	0	0	113.7	F1094 L1095 R1096 C1139 P1140 L1143	F1094-Y1098 HydrophobicContact CD1-CE2 4.32Å; F1094-Y1098 HydrophobicContact CD2-CE2 4.48Å; F1094-Y1098 HydrophobicContact CE1-CD2 4.44Å; F1094-Y1098 AromaticContact CE1-CE2 3.82Å; F1094-Y1098 HydrophobicContact CE1-CE2 3.82Å; F1094-Y1098 HydrophobicContact CE2-CE2 4.01Å; F1094-Y1098 AromaticContact CZ-CE2 3.64Å; F1094-Y1098 HydrophobicContact CZ-CE2 3.64Å; F1094-Y1098 VanDerWaalsContact O-CD2 3.3Å; F1094-Y1098 WeakPolarHBondContact O-CD2 2.98Å; L1095-Y1098 PolarHBondContact O-N 3.15Å; R1096-Y1098 VanDerWaalsContact C-N 3.26Å; R1096-Y1098 PolarHBondContact O-N 3.27Å; Y1098-C1139 PolarHBondContact OH-SG 3.31Å; Y1098-P1140 VanDerWaalsContact CE1-O 3.28Å; Y1098-P1140 WeakPolarHBondContact CE1-O 3.29Å; Y1098-P1140 PolarHBondContact OH-O 3.33Å; Y1098-L1143 HydrophobicContact CD1-CB 4.37Å; Y1098-L1143 HydrophobicContact CD1-CD1 4.17Å; Y1098-L1143 HydrophobicContact CD1-CG 3.83Å; Y1098-L1143 HydrophobicContact CD2-CD1 3.26Å; Y1098-L1143 HydrophobicContact CD2-CG 3.78Å; Y1098-L1143 HydrophobicContact CE1-CD1 4.43Å; Y1098-L1143 HydrophobicContact CE1-CG 3.86Å; Y1098-L1143 HydrophobicContact CE2-CD1 3.58Å; Y1098-L1143 HydrophobicContact CE2-CD2 4.42Å; Y1098-L1143 HydrophobicContact CE2-CG 3.81Å; Y1098-L1143 HydrophobicContact CG-CB 4.43Å; Y1098-L1143 HydrophobicContact CG-CD1 3.58Å; Y1098-L1143 HydrophobicContact CG-CG 3.78Å
1099	D	75.9	Confident	65.3	Low	66 Å²	66	80.4 Å²	80.4	35%	0.353	43%	0.434	S	S	.	.	H	α-helix	trans	-68.9	-36.3	175	-171.6	34.5	0	0	0	111.8	L1095 R1096 E1101	L1095-D1099 PolarHBondContact O-N 2.55Å; R1096-D1099 IonicContact CZ-OD2 3.76Å; R1096-D1099 IonicContact NH1-OD2 3.58Å; R1096-D1099 PolarHBondContact NH1-OD2 3.21Å; R1096-D1099 IonicContact NH2-OD2 2.65Å; R1096-D1099 PolarHBondContact NH2-OD2 3.07Å; D1099-E1101 PolarHBondContact O-N 3.31Å
1100	S	57.5	Low	62.6	Low	69 Å²	69	81.5 Å²	81.5	48%	0.483	45%	0.446	S	S	.	.	S	Bend	trans	-73.1	113.7	176.4	55.3	0	0	0	0	110.5	S1102	S1100-S1102 PolarHBondContact O-N 3.26Å
1101	E	50.2	Low	60	Low	191 Å²	191	82.5 Å²	82.5	89%	0.893	45%	0.453	S	S	*	.			trans	-57.5	5.1	178.1	-71.4	-169.2	149.2	0	0	115.8	D1099 P1103	D1099-E1101 PolarHBondContact O-N 3.31Å; E1101-P1103 WeakPolarHBondContact O-CD 3.35Å; E1101-P1103 WeakPolarHBondContact O-CG 3.4Å
1102	S	39.8	Very low	56.8	Low	100 Å²	100	86 Å²	86	70%	0.699	48%	0.481	S	S	*	.			trans	-77	93.4	179.1	-56.5	0	0	0	0	111.4	S1100 G1104	S1100-S1102 PolarHBondContact O-N 3.26Å; S1102-G1104 PolarHBondContact O-N 3.3Å
1103	P	36.4	Very low	53.7	Low	131 Å²	131	87.4 Å²	87.4	85%	0.851	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	98.2	-176.5	17	5.1	0	0	0	106.8	E1101	E1101-P1103 WeakPolarHBondContact O-CD 3.35Å; E1101-P1103 WeakPolarHBondContact O-CG 3.4Å
1104	G	37.6	Very low	50.8	Low	63 Å²	63	87.9 Å²	87.9	65%	0.649	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	159.5	-14.5	165.5	0	0	0	0	0	119.8	S1102	S1102-G1104 PolarHBondContact O-N 3.3Å
1105	Y	35	Very low	48	Very low	205 Å²	205	93.2 Å²	93.2	80%	0.804	53%	0.53	S	S	*	.	S	Bend	trans	-116.6	-20	-168.5	-76.9	-75.3	0	0	0	118.5
1106	N	35.6	Very low	45.4	Very low	135 Å²	135	96.2 Å²	96.2	72%	0.722	55%	0.545	S	S	*	.			trans	-129.9	38.8	-169.2	-70.7	-18.9	0	0	0	116.3	F1108	N1106-F1108 PolarHBondContact O-N 3.01Å
1107	C	38.4	Very low	42.8	Very low	82 Å²	82	95 Å²	95	55%	0.554	55%	0.548	S	S	*	.	S	Bend	trans	-72.4	-10.8	150.1	-162.4	0	0	0	0	111.4	C1139	C1107-C1139 WeakPolarHBondContact SG-CB 3.42Å; C1107-C1139 VanDerWaalsContact SG-SG 3.65Å
1108	F	32.2	Very low	40.3	Very low	153 Å²	153	92.4 Å²	92.4	67%	0.671	54%	0.542	S	S	*	.	S	Bend	trans	-84.4	125	169.9	-67	-84.8	0	0	0	109.1	N1106	N1106-F1108 PolarHBondContact O-N 3.01Å
1109	V	34.3	Very low	37.8	Very low	87 Å²	87	93 Å²	93	53%	0.527	56%	0.556	S	S	.	*			trans	85.8	83.6	157.5	-171.3	0	0	0	0	118	T1111 A1112	V1109-T1111 VanDerWaalsContact CG1-C 3.48Å; V1109-T1111 WeakPolarHBondContact CG2-O 3.48Å; V1109-A1112 VanDerWaalsContact CG1-CA 3.44Å; V1109-A1112 HydrophobicContact CG1-CB 3.95Å
1110	G	31.8	Very low	35.6	Very low	50 Å²	50	95.5 Å²	95.5	52%	0.515	56%	0.561	S	S	.	*	S	Bend		-91.4	-5.2	120.7	0	0	0	0	0	112.5	R970	R970-G1110 VanDerWaalsContact CZ-O 3.25Å; R970-G1110 PolarHBondContact NH1-O 3.49Å; R970-G1110 PolarHBondContact NH2-O 3.19Å
1111	T	37.3	Very low	34.3	Very low	55 Å²	55	94.2 Å²	94.2	34%	0.337	55%	0.552	S	S	.	*	S	Bend	trans	-123.9	104.1	168.3	48.6	0	0	0	0	107.7	V1109 N1113	V1109-T1111 VanDerWaalsContact CG1-C 3.48Å; V1109-T1111 WeakPolarHBondContact CG2-O 3.48Å; T1111-N1113 PolarHBondContact O-N 3.08Å
1112	A	30.9	Very low	33.4	Very low	72 Å²	72	92.8 Å²	92.8	60%	0.595	55%	0.545	S	S	*	.	S	Bend	trans	-56.8	119.4	170	0	0	0	0	0	106.1	V1109	V1109-A1112 VanDerWaalsContact CG1-CA 3.44Å; V1109-A1112 HydrophobicContact CG1-CB 3.95Å
1113	N	27.3	Very low	33	Very low	89 Å²	89	93.5 Å²	93.5	48%	0.476	55%	0.546	S	S	.	.	S	Bend	trans	67.3	127.5	-178.7	-50	-14.3	0	0	0	114.4	T1111 E1115	T1111-N1113 PolarHBondContact O-N 3.08Å; N1113-E1115 HydrophobicContact CB-CB 3.75Å; N1113-E1115 HydrophobicContact CB-CG 3.69Å; N1113-E1115 WeakPolarHBondContact CB-OE2 3.18Å; N1113-E1115 PolarHBondContact ND2-OE2 3.28Å; N1113-E1115 PolarHBondContact O-N 3.31Å
1114	G	28.4	Very low	32.7	Very low	53 Å²	53	91.7 Å²	91.7	55%	0.546	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	26.8	157	0	0	0	0	0	113.2	N1118	G1114-N1118 WeakPolarHBondContact O-CB 3.49Å; G1114-N1118 PolarHBondContact O-N 3.35Å; G1114-N1118 PolarHBondContact O-ND2 3.45Å
1115	E	33.2	Very low	32.4	Very low	113 Å²	113	93 Å²	93	53%	0.528	53%	0.528	S	S	.	.	H	α-helix	trans	-76.4	-16.1	173.8	-82.2	172.6	171.2	0	0	112.3	N1113 N1118 A1119	N1113-E1115 HydrophobicContact CB-CB 3.75Å; N1113-E1115 HydrophobicContact CB-CG 3.69Å; N1113-E1115 WeakPolarHBondContact CB-OE2 3.18Å; N1113-E1115 PolarHBondContact ND2-OE2 3.28Å; N1113-E1115 PolarHBondContact O-N 3.31Å; E1115-N1118 PolarHBondContact O-N 3.47Å; E1115-A1119 VanDerWaalsContact O-CA 3.31Å; E1115-A1119 WeakPolarHBondContact O-CA 3.26Å; E1115-A1119 WeakPolarHBondContact O-CB 3.16Å; E1115-A1119 PolarHBondContact O-N 2.96Å
1116	I	37.4	Very low	32.1	Very low	63 Å²	63	92.4 Å²	92.4	32%	0.323	53%	0.532	S	S	.	.	H	α-helix	trans	-74.1	-38.1	172.7	-62.5	174.5	0	0	0	110.3	I969 Y1120	I969-I1116 HydrophobicContact CG2-CD1 3.84Å; I1116-Y1120 HydrophobicContact CG2-CD2 4.12Å; I1116-Y1120 HydrophobicContact CG2-CE2 4.47Å; I1116-Y1120 VanDerWaalsContact O-CB 3.31Å; I1116-Y1120 WeakPolarHBondContact O-CB 3.11Å; I1116-Y1120 WeakPolarHBondContact O-CD2 3.03Å; I1116-Y1120 PolarHBondContact O-N 3.24Å
1117	V	34.2	Very low	31.7	Very low	66 Å²	66	91.1 Å²	91.1	40%	0.4	53%	0.53	S	S	.	.	H	α-helix	trans	-73.5	-38.5	169.9	-174.8	0	0	0	0	110	S1121 F1135	V1117-S1121 WeakPolarHBondContact O-CA 3.44Å; V1117-S1121 WeakPolarHBondContact O-CB 3.21Å; V1117-S1121 PolarHBondContact O-N 3.26Å; V1117-S1121 PolarHBondContact O-OG 3.13Å; V1117-F1135 HydrophobicContact CG2-CD2 4.31Å; V1117-F1135 HydrophobicContact CG2-CE2 4.22Å; V1117-F1135 HydrophobicContact CG2-CZ 4.43Å
1118	N	29.7	Very low	31.1	Very low	53 Å²	53	91.1 Å²	91.1	28%	0.283	53%	0.527	S	S	.	.	H	α-helix	trans	-75.6	-34.1	-179.9	-72.2	-20.9	0	0	0	115.1	G1114 E1115 S1121 Q1122 K1132	G1114-N1118 WeakPolarHBondContact O-CB 3.49Å; G1114-N1118 PolarHBondContact O-N 3.35Å; G1114-N1118 PolarHBondContact O-ND2 3.45Å; E1115-N1118 PolarHBondContact O-N 3.47Å; N1118-S1121 CarbonylContact O-C 3.58Å; N1118-S1121 PolarHBondContact O-N 3.09Å; N1118-Q1122 WeakPolarHBondContact O-CB 3.42Å; N1118-Q1122 WeakPolarHBondContact O-CG 3.42Å; N1118-Q1122 PolarHBondContact O-N 2.77Å; N1118-K1132 WeakPolarHBondContact OD1-CE 3.45Å
1119	A	30.2	Very low	30.7	Very low	56 Å²	56	90.8 Å²	90.8	46%	0.463	54%	0.538	S	S	.	.	H	α-helix	trans	-71.4	-39.2	175.5	0	0	0	0	0	110.1	E1115 Q1122 T1123	E1115-A1119 VanDerWaalsContact O-CA 3.31Å; E1115-A1119 WeakPolarHBondContact O-CA 3.26Å; E1115-A1119 WeakPolarHBondContact O-CB 3.16Å; E1115-A1119 PolarHBondContact O-N 2.96Å; A1119-Q1122 PolarHBondContact O-N 2.6Å; A1119-T1123 PolarHBondContact O-OG1 3.4Å
1120	Y	30.8	Very low	30.5	Very low	120 Å²	120	92 Å²	92	47%	0.471	55%	0.545	S	S	.	.	H	α-helix	trans	-68.6	-35.6	168.5	-89.1	-90.2	0	0	0	112.3	I1116 Q1122 T1123 L1124	I1116-Y1120 HydrophobicContact CG2-CD2 4.12Å; I1116-Y1120 HydrophobicContact CG2-CE2 4.47Å; I1116-Y1120 VanDerWaalsContact O-CB 3.31Å; I1116-Y1120 WeakPolarHBondContact O-CB 3.11Å; I1116-Y1120 WeakPolarHBondContact O-CD2 3.03Å; I1116-Y1120 PolarHBondContact O-N 3.24Å; Y1120-Q1122 VanDerWaalsContact C-N 3.32Å; Y1120-Q1122 PolarHBondContact O-N 3.07Å; Y1120-T1123 PolarHBondContact O-N 3.03Å; Y1120-T1123 PolarHBondContact O-OG1 3.3Å; Y1120-L1124 PolarHBondContact O-N 2.88Å
1121	S	29	Very low	30.3	Very low	41 Å²	41	93 Å²	93	29%	0.287	55%	0.545	S	S	.	.	H	α-helix	trans	-68.9	-29.9	177.1	-60.9	0	0	0	0	112.1	V1117 N1118 T1123 L1124 S1125	V1117-S1121 WeakPolarHBondContact O-CA 3.44Å; V1117-S1121 WeakPolarHBondContact O-CB 3.21Å; V1117-S1121 PolarHBondContact O-N 3.26Å; V1117-S1121 PolarHBondContact O-OG 3.13Å; N1118-S1121 CarbonylContact O-C 3.58Å; N1118-S1121 PolarHBondContact O-N 3.09Å; S1121-T1123 VanDerWaalsContact C-N 3.32Å; S1121-L1124 CarbonylContact O-C 3.59Å; S1121-L1124 PolarHBondContact O-N 3.04Å; S1121-S1125 WeakPolarHBondContact O-CB 2.97Å; S1121-S1125 PolarHBondContact O-N 3.41Å; S1121-S1125 PolarHBondContact O-OG 3.02Å
1122	Q	30.8	Very low	29.9	Very low	161 Å²	161	97.9 Å²	97.9	75%	0.752	56%	0.561	S	S	*	*	H	α-helix	trans	-68.9	-33.3	176.8	-81	-179.6	-1.5	0	0	111.6	N1118 A1119 Y1120	N1118-Q1122 WeakPolarHBondContact O-CB 3.42Å; N1118-Q1122 WeakPolarHBondContact O-CG 3.42Å; N1118-Q1122 PolarHBondContact O-N 2.77Å; A1119-Q1122 PolarHBondContact O-N 2.6Å; Y1120-Q1122 VanDerWaalsContact C-N 3.32Å; Y1120-Q1122 PolarHBondContact O-N 3.07Å
1123	T	31.9	Very low	29.9	Very low	115 Å²	115	102 Å²	102	71%	0.706	57%	0.566	S	S	*	*	H	α-helix	trans	-77.4	-23.5	170.2	41.1	0	0	0	0	114	A1119 Y1120 S1121	A1119-T1123 PolarHBondContact O-OG1 3.4Å; Y1120-T1123 PolarHBondContact O-N 3.03Å; Y1120-T1123 PolarHBondContact O-OG1 3.3Å; S1121-T1123 VanDerWaalsContact C-N 3.32Å
1124	L	31.1	Very low	30.2	Very low	93 Å²	93	102.6 Å²	102.6	49%	0.487	57%	0.569	S	S	.	*	H	α-helix	trans	-96.3	-3.4	179.2	-127.7	81.7	0	0	0	115	Y1120 S1121 Q1126 T1127	Y1120-L1124 PolarHBondContact O-N 2.88Å; S1121-L1124 CarbonylContact O-C 3.59Å; S1121-L1124 PolarHBondContact O-N 3.04Å; L1124-Q1126 PolarHBondContact O-N 2.78Å; L1124-T1127 PolarHBondContact O-N 2.92Å
1125	S	29.8	Very low	30.7	Very low	92 Å²	92	106.4 Å²	106.4	64%	0.643	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	6.7	-175.3	-72.5	0	0	0	0	115.3	S1121	S1121-S1125 WeakPolarHBondContact O-CB 2.97Å; S1121-S1125 PolarHBondContact O-N 3.41Å; S1121-S1125 PolarHBondContact O-OG 3.02Å
1126	Q	29.5	Very low	31	Very low	191 Å²	191	106.1 Å²	106.1	89%	0.893	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	-12.9	170.7	-71.4	-172.3	-3.8	0	0	114.7	L1124	L1124-Q1126 PolarHBondContact O-N 2.78Å
1127	T	26.5	Very low	31.3	Very low	109 Å²	109	109.8 Å²	109.8	67%	0.669	60%	0.597	S	S	*	*	S	Bend	trans	-156	62.7	178.5	54.9	0	0	0	0	113.4	L1124	L1124-T1127 PolarHBondContact O-N 2.92Å
1128	T	26.2	Very low	32.6	Very low	81 Å²	81	109.9 Å²	109.9	50%	0.497	59%	0.593	S	S	.	*			trans	171.2	133.7	142.4	27.9	0	0	0	0	111.4	V1130	T1128-V1130 VanDerWaalsContact C-N 3.32Å; T1128-V1130 PolarHBondContact O-N 2.9Å
1129	T	25.2	Very low	34.2	Very low	146 Å²	146	108.8 Å²	108.8	90%	0.896	59%	0.589	S	S	*	*			trans	-73.4	76.3	175.9	50.2	0	0	0	0	111.1
1130	V	29.4	Very low	36.2	Very low	112 Å²	112	107.5 Å²	107.5	68%	0.679	58%	0.576	S	S	*	*			trans	-95.1	101.3	168.1	-178.2	0	0	0	0	108	T1128 K1132	T1128-V1130 VanDerWaalsContact C-N 3.32Å; T1128-V1130 PolarHBondContact O-N 2.9Å; V1130-K1132 PolarHBondContact O-N 2.94Å
1131	S	27.5	Very low	38.1	Very low	73 Å²	73	108.5 Å²	108.5	51%	0.51	60%	0.595	S	S	.	*			trans	-63.1	129	-178.3	36.1	0	0	0	0	112.4	K1133	S1131-K1133 PolarHBondContact O-N 3.24Å
1132	K	29.9	Very low	40.5	Very low	156 Å²	156	114.5 Å²	114.5	68%	0.678	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.1	-4.6	172.7	-143.4	171.9	-172.1	168.4	0	115.6	N1118 V1130	N1118-K1132 WeakPolarHBondContact OD1-CE 3.45Å; V1130-K1132 PolarHBondContact O-N 2.94Å
1133	K	30	Very low	43.1	Very low	160 Å²	160	107 Å²	107	70%	0.696	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-20.7	-177.6	-96.5	-177.8	171.1	177.8	0	114.3	S1131 F1135	S1131-K1133 PolarHBondContact O-N 3.24Å; K1133-F1135 PolarHBondContact O-N 2Å
1134	D	33.3	Very low	45.8	Very low	100 Å²	100	105.4 Å²	105.4	54%	0.535	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.1	-17.3	-168.5	-71.3	-12.1	0	0	0	115.4	Q1138	D1134-Q1138 PolarHBondContact O-NE2 3.46Å
1135	F	39.1	Very low	48.4	Very low	133 Å²	133	102.7 Å²	102.7	58%	0.583	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	-26.9	-173.8	-97.3	-86.9	0	0	0	115.1	V1117 K1133	V1117-F1135 HydrophobicContact CG2-CD2 4.31Å; V1117-F1135 HydrophobicContact CG2-CE2 4.22Å; V1117-F1135 HydrophobicContact CG2-CZ 4.43Å; K1133-F1135 PolarHBondContact O-N 2Å
1136	T	39.1	Very low	51.2	Low	108 Å²	108	102.1 Å²	102.1	66%	0.663	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-20.9	-176.9	46.9	0	0	0	0	113.8	Q1138	T1136-Q1138 PolarHBondContact O-N 2.81Å
1137	D	44.5	Very low	54.2	Low	139 Å²	139	94.7 Å²	94.7	74%	0.743	51%	0.507	S	S	*	.	S	Bend	trans	-86.5	3.5	-170.6	-90.7	-1.8	0	0	0	115.7
1138	Q	60.2	Low	57.4	Low	68 Å²	68	89.6 Å²	89.6	32%	0.318	48%	0.476	S	S	.	.	S	Bend	trans	-105.3	-13.9	-164.2	-69.8	-173.6	18.9	0	0	117.2	D1134 T1136	D1134-Q1138 PolarHBondContact O-NE2 3.46Å; T1136-Q1138 PolarHBondContact O-N 2.81Å
1139	C	64.1	Low	60.4	Low	30 Å²	30	86 Å²	86	20%	0.203	45%	0.454	C	S	.	.	S	Bend	trans	-106.7	122.8	-179.9	-170.1	0	0	0	0	109.9	F1088 Y1098 C1107	F1088-C1139 HydrophobicContact CE1-CB 3.94Å; F1088-C1139 HydrophobicContact CZ-CB 4.19Å; Y1098-C1139 PolarHBondContact OH-SG 3.31Å; C1107-C1139 WeakPolarHBondContact SG-CB 3.42Å; C1107-C1139 VanDerWaalsContact SG-SG 3.65Å
1140	P	71.9	Confident	63.6	Low	29 Å²	29	83.5 Å²	83.5	19%	0.188	43%	0.432	C	S	.	.			trans	-69.2	145.2	-175.2	31.3	-38	0	0	0	111.1	Y1098 K1142 L1143 M1147 L1183	Y1098-P1140 VanDerWaalsContact CE1-O 3.28Å; Y1098-P1140 WeakPolarHBondContact CE1-O 3.29Å; Y1098-P1140 PolarHBondContact OH-O 3.33Å; P1140-K1142 VanDerWaalsContact C-N 3.3Å; P1140-K1142 PolarHBondContact O-N 3.15Å; P1140-L1143 HydrophobicContact CG-CD2 3.73Å; P1140-M1147 HydrophobicContact CB-CE 3.6Å; P1140-M1147 HydrophobicContact CB-SD 4.35Å; P1140-M1147 HydrophobicContact CG-CE 3.46Å; P1140-M1147 VanDerWaalsContact CG-CE 3.46Å; P1140-L1183 HydrophobicContact CG-CD1 3.94Å
1141	T	71.4	Confident	66.8	Low	141 Å²	141	78.2 Å²	78.2	87%	0.865	40%	0.4	S	S	*	.	S	Bend	trans	-70.8	-27.4	175.5	51.5	0	0	0	0	112.7
1142	K	79.3	Confident	70.1	Confident	168 Å²	168	74.8 Å²	74.8	73%	0.73	38%	0.376	S	S	*	.	S	Bend	trans	-142.7	135	176	-173	173.5	-177.6	174.9	0	109.8	P1140	P1140-K1142 VanDerWaalsContact C-N 3.3Å; P1140-K1142 PolarHBondContact O-N 3.15Å
1143	L	86	Confident	73.4	Confident	3 Å²	3	68.3 Å²	68.3	2%	0.016	35%	0.349	C	S	.	.			trans	-84.5	125.4	170.7	-68.3	174.8	0	0	0	109.6	F1094 L1095 Y1098 P1140 M1147 L1148 Y1244	F1094-L1143 HydrophobicContact CD1-CD1 4.39Å; F1094-L1143 HydrophobicContact CE1-CD1 3.75Å; F1094-L1143 HydrophobicContact CE1-CD2 4.08Å; F1094-L1143 HydrophobicContact CE1-CG 4.46Å; F1094-L1143 HydrophobicContact CZ-CD2 4.32Å; L1095-L1143 HydrophobicContact CD2-CD1 4.21Å; Y1098-L1143 HydrophobicContact CD1-CB 4.37Å; Y1098-L1143 HydrophobicContact CD1-CD1 4.17Å; Y1098-L1143 HydrophobicContact CD1-CG 3.83Å; Y1098-L1143 HydrophobicContact CD2-CD1 3.26Å; Y1098-L1143 HydrophobicContact CD2-CG 3.78Å; Y1098-L1143 HydrophobicContact CE1-CD1 4.43Å; Y1098-L1143 HydrophobicContact CE1-CG 3.86Å; Y1098-L1143 HydrophobicContact CE2-CD1 3.58Å; Y1098-L1143 HydrophobicContact CE2-CD2 4.42Å; Y1098-L1143 HydrophobicContact CE2-CG 3.81Å; Y1098-L1143 HydrophobicContact CG-CB 4.43Å; Y1098-L1143 HydrophobicContact CG-CD1 3.58Å; Y1098-L1143 HydrophobicContact CG-CG 3.78Å; P1140-L1143 HydrophobicContact CG-CD2 3.73Å; L1143-M1147 HydrophobicContact CD2-CB 4.49Å; L1143-M1147 HydrophobicContact CD2-CE 4.12Å; L1143-L1148 HydrophobicContact CB-CD2 4.36Å; L1143-L1148 HydrophobicContact CD1-CD2 4.03Å; L1143-Y1244 HydrophobicContact CB-CE1 4.4Å; L1143-Y1244 HydrophobicContact CD1-CE1 4.49Å; L1143-Y1244 PolarHBondContact O-OH 2.64Å
1144	N	86.9	Confident	76.6	Confident	81 Å²	81	61.4 Å²	61.4	43%	0.433	32%	0.319	S	S	.	.			trans	-99.6	165.9	169.9	68	27.1	0	0	0	110.5	K1146 M1147 L1148	N1144-K1146 PolarHBondContact O-N 3.37Å; N1144-K1146 WeakPolarHBondContact OD1-CB 3.07Å; N1144-K1146 PolarHBondContact OD1-N 3.37Å; N1144-M1147 PolarHBondContact O-N 2.73Å; N1144-M1147 VanDerWaalsContact O-N 3.16Å; N1144-M1147 WeakPolarHBondContact OD1-CB 3.48Å; N1144-M1147 WeakPolarHBondContact OD1-CG 3.34Å; N1144-M1147 PolarHBondContact OD1-N 2.79Å; N1144-L1148 PolarHBondContact O-N 2.86Å; N1144-L1148 VanDerWaalsContact O-N 3.13Å
1145	V	87.5	Confident	79.7	Confident	37 Å²	37	56.6 Å²	56.6	22%	0.224	29%	0.294	C	S	.	.	H	α-helix	trans	-56	-37.5	-179.2	179.9	0	0	0	0	111.8	L1148 A1149 F1242 P1274 L1309	V1145-L1148 PolarHBondContact O-N 3.37Å; V1145-A1149 PolarHBondContact O-N 3.48Å; V1145-F1242 HydrophobicContact CG1-CE1 4.03Å; V1145-P1274 HydrophobicContact CG1-CG 3.55Å; V1145-L1309 HydrophobicContact CG1-CD1 3.81Å; V1145-L1309 HydrophobicContact CG1-CD2 3.89Å
1146	K	88.7	Confident	82.6	Confident	79 Å²	79	50.3 Å²	50.3	34%	0.343	27%	0.266	S	S	.	.	H	α-helix	trans	-62.7	-44.1	178.9	-175.2	173.4	-171.4	126.7	0	112.2	N1144 A1149 E1150 F1306 L1309	N1144-K1146 PolarHBondContact O-N 3.37Å; N1144-K1146 WeakPolarHBondContact OD1-CB 3.07Å; N1144-K1146 PolarHBondContact OD1-N 3.37Å; K1146-A1149 WeakPolarHBondContact O-CB 3.47Å; K1146-A1149 PolarHBondContact O-N 3.33Å; K1146-E1150 PolarHBondContact O-N 3.14Å; K1146-F1306 HydrophobicContact CD-CE2 4.24Å; K1146-F1306 HydrophobicContact CG-CD2 4.05Å; K1146-F1306 HydrophobicContact CG-CE2 3.46Å; K1146-F1306 VanDerWaalsContact CG-CE2 3.46Å; K1146-F1306 HydrophobicContact CG-CZ 4.33Å; K1146-L1309 HydrophobicContact CB-CB 4.49Å; K1146-L1309 PolarHBondContact NZ-OXT 2.99Å
1147	M	91.4	Very high	85.4	Confident	36 Å²	36	46.6 Å²	46.6	18%	0.177	24%	0.241	C	C	.	.	H	α-helix	trans	-67.5	-39.6	177.1	-66.2	171.4	75.6	0	0	112	P1140 L1143 N1144 A1149 E1150 M1151 L1183	P1140-M1147 HydrophobicContact CB-CE 3.6Å; P1140-M1147 HydrophobicContact CB-SD 4.35Å; P1140-M1147 HydrophobicContact CG-CE 3.46Å; P1140-M1147 VanDerWaalsContact CG-CE 3.46Å; L1143-M1147 HydrophobicContact CD2-CB 4.49Å; L1143-M1147 HydrophobicContact CD2-CE 4.12Å; N1144-M1147 PolarHBondContact O-N 2.73Å; N1144-M1147 VanDerWaalsContact O-N 3.16Å; N1144-M1147 WeakPolarHBondContact OD1-CB 3.48Å; N1144-M1147 WeakPolarHBondContact OD1-CG 3.34Å; N1144-M1147 PolarHBondContact OD1-N 2.79Å; M1147-A1149 VanDerWaalsContact C-N 3.28Å; M1147-A1149 PolarHBondContact O-N 2.77Å; M1147-E1150 PolarHBondContact O-N 3.32Å; M1147-M1151 WeakPolarHBondContact O-CG 3.42Å; M1147-M1151 PolarHBondContact O-N 3.38Å; M1147-M1151 VanDerWaalsContact O-N 3.07Å; M1147-L1183 HydrophobicContact CE-CD1 3.23Å
1148	L	93	Very high	88	Confident	2 Å²	2	40 Å²	40	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-40.5	173	-65	179.6	0	0	0	111.1	L1095 L1143 N1144 V1145 M1151 V1152 V1241 F1242	L1095-L1148 HydrophobicContact CD2-CD2 3.74Å; L1143-L1148 HydrophobicContact CB-CD2 4.36Å; L1143-L1148 HydrophobicContact CD1-CD2 4.03Å; N1144-L1148 PolarHBondContact O-N 2.86Å; N1144-L1148 VanDerWaalsContact O-N 3.13Å; V1145-L1148 PolarHBondContact O-N 3.37Å; L1148-M1151 PolarHBondContact O-N 2.87Å; L1148-V1152 WeakPolarHBondContact O-CB 3.35Å; L1148-V1152 VanDerWaalsContact O-CG2 3.27Å; L1148-V1152 WeakPolarHBondContact O-CG2 3.42Å; L1148-V1152 PolarHBondContact O-N 2.99Å; L1148-V1241 HydrophobicContact CB-CG1 4.12Å; L1148-V1241 HydrophobicContact CD2-CG1 3.97Å; L1148-V1241 HydrophobicContact CG-CG1 4.43Å; L1148-F1242 HydrophobicContact CB-CE1 4.3Å; L1148-F1242 HydrophobicContact CB-CZ 4.41Å; L1148-F1242 HydrophobicContact CD1-CD1 4.26Å; L1148-F1242 HydrophobicContact CD1-CE1 4.32Å
1149	A	90.9	Very high	89.8	Confident	5 Å²	5	36.8 Å²	36.8	4%	0.041	19%	0.191	C	C	.	.	H	α-helix	trans	-63.8	-41.5	176.2	0	0	0	0	0	112.5	V1145 K1146 M1147 V1152 I1153 F1306 L1309	V1145-A1149 PolarHBondContact O-N 3.48Å; K1146-A1149 WeakPolarHBondContact O-CB 3.47Å; K1146-A1149 PolarHBondContact O-N 3.33Å; M1147-A1149 VanDerWaalsContact C-N 3.28Å; M1147-A1149 PolarHBondContact O-N 2.77Å; A1149-V1152 PolarHBondContact O-N 2.58Å; A1149-I1153 VanDerWaalsContact O-CG1 3.27Å; A1149-I1153 WeakPolarHBondContact O-CG1 3.37Å; A1149-I1153 PolarHBondContact O-N 3.49Å; A1149-F1306 HydrophobicContact CB-CD2 4.13Å; A1149-L1309 HydrophobicContact CB-CD1 4.14Å
1150	E	92.4	Very high	91.4	Very high	93 Å²	93	35.6 Å²	35.6	44%	0.435	18%	0.182	S	C	.	.	H	α-helix	trans	-60.2	-46.6	174.3	-68.5	176.8	175	0	0	112.1	K1146 M1147 V1152 I1153 D1154 F1306	K1146-E1150 PolarHBondContact O-N 3.14Å; M1147-E1150 PolarHBondContact O-N 3.32Å; E1150-V1152 VanDerWaalsContact C-N 3.31Å; E1150-V1152 PolarHBondContact O-N 2.85Å; E1150-I1153 WeakPolarHBondContact O-CB 3.37Å; E1150-I1153 PolarHBondContact O-N 2.88Å; E1150-D1154 PolarHBondContact O-N 3.21Å; E1150-F1306 HydrophobicContact CG-CD2 3.83Å; E1150-F1306 HydrophobicContact CG-CE2 3.16Å; E1150-F1306 HydrophobicContact CG-CZ 3.66Å; E1150-F1306 WeakPolarHBondContact OE1-CE2 3.17Å; E1150-F1306 WeakPolarHBondContact OE1-CZ 3.32Å
1151	M	96	Very high	92.7	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-40.3	178.1	-71.5	178.3	127	0	0	112	F1091 F1094 M1147 L1148 D1154 A1155 V1179 L1183 I1185	F1091-M1151 HydrophobicContact CE2-CB 4.39Å; F1091-M1151 HydrophobicContact CE2-CE 4.06Å; F1091-M1151 HydrophobicContact CE2-SD 3.69Å; F1091-M1151 HydrophobicContact CZ-CB 3.85Å; F1091-M1151 HydrophobicContact CZ-SD 4.05Å; F1094-M1151 HydrophobicContact CD1-CE 3.92Å; F1094-M1151 HydrophobicContact CE1-CE 3.34Å; F1094-M1151 HydrophobicContact CE1-SD 4.13Å; F1094-M1151 HydrophobicContact CZ-CE 3.88Å; M1147-M1151 WeakPolarHBondContact O-CG 3.42Å; M1147-M1151 PolarHBondContact O-N 3.38Å; M1147-M1151 VanDerWaalsContact O-N 3.07Å; L1148-M1151 PolarHBondContact O-N 2.87Å; M1151-D1154 WeakPolarHBondContact O-CB 3.35Å; M1151-D1154 PolarHBondContact O-N 3.06Å; M1151-A1155 PolarHBondContact O-N 3.25Å; M1151-A1155 VanDerWaalsContact O-N 3.08Å; M1151-V1179 HydrophobicContact CE-CG1 3.63Å; M1151-L1183 HydrophobicContact CE-CB 3.72Å; M1151-L1183 HydrophobicContact CE-CD1 4.4Å; M1151-L1183 HydrophobicContact CE-CD2 4.01Å; M1151-L1183 HydrophobicContact CE-CG 4.24Å; M1151-L1183 HydrophobicContact CG-CB 4.49Å; M1151-I1185 HydrophobicContact CB-CD1 4.16Å; M1151-I1185 HydrophobicContact CB-CG1 3.62Å; M1151-I1185 HydrophobicContact CE-CD1 3.87Å; M1151-I1185 HydrophobicContact CG-CD1 4.16Å; M1151-I1185 HydrophobicContact CG-CG1 3.95Å; M1151-I1185 WeakPolarHBondContact O-CG1 3.26Å; M1151-I1185 HydrophobicContact SD-CD1 4.49Å
1152	V	97.4	Very high	93.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-69.6	-35.6	176.6	164.2	0	0	0	0	112	L1148 A1149 E1150 D1154 A1155 C1156 F1234 L1238 V1241 L1302	L1148-V1152 WeakPolarHBondContact O-CB 3.35Å; L1148-V1152 VanDerWaalsContact O-CG2 3.27Å; L1148-V1152 WeakPolarHBondContact O-CG2 3.42Å; L1148-V1152 PolarHBondContact O-N 2.99Å; A1149-V1152 PolarHBondContact O-N 2.58Å; E1150-V1152 VanDerWaalsContact C-N 3.31Å; E1150-V1152 PolarHBondContact O-N 2.85Å; V1152-D1154 VanDerWaalsContact C-N 3.32Å; V1152-A1155 PolarHBondContact O-N 3Å; V1152-C1156 WeakPolarHBondContact O-CB 3.34Å; V1152-C1156 PolarHBondContact O-N 2.01Å; V1152-F1234 HydrophobicContact CG1-CZ 4.23Å; V1152-L1238 HydrophobicContact CB-CD2 4.3Å; V1152-L1238 HydrophobicContact CG1-CD2 3.16Å; V1152-L1238 HydrophobicContact CG2-CD2 4.14Å; V1152-V1241 HydrophobicContact CG2-CB 4.15Å; V1152-V1241 HydrophobicContact CG2-CG1 3.79Å; V1152-V1241 HydrophobicContact CG2-CG2 4.03Å; V1152-L1302 HydrophobicContact CG1-CD1 3.66Å; V1152-L1302 HydrophobicContact CG1-CD2 3.78Å; V1152-L1302 HydrophobicContact CG1-CG 4.35Å
1153	I	97.8	Very high	94.7	Very high	21 Å²	21	22.1 Å²	22.1	11%	0.108	11%	0.111	C	C	.	.	H	α-helix	trans	-60.8	-44.9	172.8	-72.3	164	0	0	0	109.8	A1149 E1150 A1155 C1156 E1157 L1302 K1303 F1306	A1149-I1153 VanDerWaalsContact O-CG1 3.27Å; A1149-I1153 WeakPolarHBondContact O-CG1 3.37Å; A1149-I1153 PolarHBondContact O-N 3.49Å; E1150-I1153 WeakPolarHBondContact O-CB 3.37Å; E1150-I1153 PolarHBondContact O-N 2.88Å; I1153-A1155 PolarHBondContact O-N 3.41Å; I1153-C1156 WeakPolarHBondContact O-CB 3.31Å; I1153-C1156 PolarHBondContact O-N 2.82Å; I1153-C1156 VanDerWaalsContact O-N 3.13Å; I1153-E1157 HydrophobicContact CG2-CG 4.4Å; I1153-E1157 WeakPolarHBondContact O-CG 3.15Å; I1153-E1157 PolarHBondContact O-N 3.42Å; I1153-L1302 HydrophobicContact CG1-CB 3.8Å; I1153-K1303 HydrophobicContact CD1-CG 4.19Å; I1153-K1303 HydrophobicContact CG2-CG 4.43Å; I1153-F1306 HydrophobicContact CD1-CB 3.76Å; I1153-F1306 HydrophobicContact CD1-CG 4.02Å
1154	D	98	Very high	95.1	Very high	14 Å²	14	27 Å²	27	8%	0.075	13%	0.133	C	C	.	.	H	α-helix	trans	-58.4	-44.8	174.9	-89.9	-20	0	0	0	112.3	R1064 N1065 E1150 M1151 V1152 C1156 E1157 A1158 I1184 I1185	R1064-D1154 IonicContact CZ-OD1 3.7Å; R1064-D1154 IonicContact NE-OD1 2.71Å; R1064-D1154 IonicContact NH2-OD1 2.65Å; R1064-D1154 PolarHBondContact NH2-OD1 3.07Å; N1065-D1154 VanDerWaalsContact CB-O 3.27Å; N1065-D1154 WeakPolarHBondContact CB-O 2.91Å; N1065-D1154 VanDerWaalsContact CG-O 3.26Å; N1065-D1154 WeakPolarHBondContact ND2-CB 2.93Å; N1065-D1154 PolarHBondContact ND2-OD1 2.6Å; E1150-D1154 PolarHBondContact O-N 3.21Å; M1151-D1154 WeakPolarHBondContact O-CB 3.35Å; M1151-D1154 PolarHBondContact O-N 3.06Å; V1152-D1154 VanDerWaalsContact C-N 3.32Å; D1154-C1156 VanDerWaalsContact C-N 3.3Å; D1154-C1156 PolarHBondContact O-N 3.5Å; D1154-E1157 PolarHBondContact O-N 2.78Å; D1154-A1158 PolarHBondContact O-N 3.26Å; D1154-I1184 WeakPolarHBondContact OD2-CA 3.34Å; D1154-I1185 HydrophobicContact CB-CB 3.74Å; D1154-I1185 HydrophobicContact CB-CG1 4.35Å; D1154-I1185 PolarHBondContact OD2-N 2.97Å; D1154-I1185 VanDerWaalsContact OD2-N 3.14Å
1155	A	98.5	Very high	95.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61	-39.6	174.7	0	0	0	0	0	111.9	M1151 V1152 I1153 A1158 M1159 F1177 I1185 F1234	M1151-A1155 PolarHBondContact O-N 3.25Å; M1151-A1155 VanDerWaalsContact O-N 3.08Å; V1152-A1155 PolarHBondContact O-N 3Å; I1153-A1155 PolarHBondContact O-N 3.41Å; A1155-A1158 WeakPolarHBondContact O-CB 3.29Å; A1155-A1158 PolarHBondContact O-N 3.48Å; A1155-M1159 PolarHBondContact O-N 3.47Å; A1155-F1177 HydrophobicContact CB-CD1 3.96Å; A1155-F1177 HydrophobicContact CB-CE1 3.55Å; A1155-F1177 HydrophobicContact CB-CZ 3.85Å; A1155-I1185 HydrophobicContact CB-CG2 4.15Å; A1155-F1234 HydrophobicContact CB-CE2 4.21Å
1156	C	98.7	Very high	95.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.6	-39.5	178	-164.4	0	0	0	0	112.5	V1152 I1153 D1154 A1158 M1159 V1160 F1234 R1299 L1302	V1152-C1156 WeakPolarHBondContact O-CB 3.34Å; V1152-C1156 PolarHBondContact O-N 2.01Å; I1153-C1156 WeakPolarHBondContact O-CB 3.31Å; I1153-C1156 PolarHBondContact O-N 2.82Å; I1153-C1156 VanDerWaalsContact O-N 3.13Å; D1154-C1156 VanDerWaalsContact C-N 3.3Å; D1154-C1156 PolarHBondContact O-N 3.5Å; C1156-A1158 VanDerWaalsContact C-N 3.25Å; C1156-A1158 PolarHBondContact O-N 3.33Å; C1156-M1159 PolarHBondContact O-N 3.02Å; C1156-M1159 VanDerWaalsContact O-N 3.12Å; C1156-V1160 WeakPolarHBondContact O-CG2 3.45Å; C1156-V1160 PolarHBondContact O-N 3.28Å; C1156-F1234 HydrophobicContact CB-CE1 4.47Å; C1156-F1234 HydrophobicContact CB-CE2 4.16Å; C1156-F1234 HydrophobicContact CB-CZ 3.66Å; C1156-R1299 PolarHBondContact SG-N 3.44Å; C1156-L1302 HydrophobicContact CB-CD1 3.91Å
1157	E	98.5	Very high	95.8	Very high	31 Å²	31	28.6 Å²	28.6	15%	0.145	14%	0.137	C	C	.	.	H	α-helix	trans	-61.9	-35.4	176.8	-66.8	-74.1	-169.1	0	0	111.2	H1063 I1153 D1154 Y1161 R1299 K1303	H1063-E1157 PolarHBondContact CE1-O 3.36Å; I1153-E1157 HydrophobicContact CG2-CG 4.4Å; I1153-E1157 WeakPolarHBondContact O-CG 3.15Å; I1153-E1157 PolarHBondContact O-N 3.42Å; D1154-E1157 PolarHBondContact O-N 2.78Å; E1157-Y1161 PolarHBondContact O-N 2.92Å; E1157-R1299 WeakPolarHBondContact OE1-CD 3.34Å; E1157-R1299 WeakPolarHBondContact OE2-CD 3.45Å; E1157-R1299 IonicContact OE2-CZ 3.1Å; E1157-R1299 IonicContact OE2-NE 3.64Å; E1157-R1299 IonicContact OE2-NH1 2.77Å; E1157-R1299 PolarHBondContact OE2-NH1 3.23Å; E1157-K1303 VanDerWaalsContact OE1-CE 3.32Å; E1157-K1303 WeakPolarHBondContact OE1-CE 3.3Å; E1157-K1303 IonicContact OE1-NZ 3.97Å; E1157-K1303 PolarHBondContact OE1-NZ 3.49Å
1158	A	98.5	Very high	96	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.1	-44.4	172.2	0	0	0	0	0	112.2	N1065 I1066 D1154 A1155 C1156 Y1161 L1162 F1177 L1187	N1065-A1158 HydrophobicContact CB-CB 3.87Å; N1065-A1158 WeakPolarHBondContact O-CB 3.37Å; I1066-A1158 HydrophobicContact CG1-CB 4.14Å; D1154-A1158 PolarHBondContact O-N 3.26Å; A1155-A1158 WeakPolarHBondContact O-CB 3.29Å; A1155-A1158 PolarHBondContact O-N 3.48Å; C1156-A1158 VanDerWaalsContact C-N 3.25Å; C1156-A1158 PolarHBondContact O-N 3.33Å; A1158-Y1161 PolarHBondContact O-N 3.46Å; A1158-L1162 WeakPolarHBondContact O-CB 2.98Å; A1158-L1162 PolarHBondContact O-N 3.08Å; A1158-F1177 HydrophobicContact CB-CE1 4.31Å; A1158-L1187 HydrophobicContact CB-CB 3.89Å; A1158-L1187 HydrophobicContact CB-CD2 4.43Å
1159	M	98.7	Very high	96.1	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-73.9	-32.1	-178.5	-64.1	-52.7	-56.9	0	0	113.3	A1155 C1156 L1162 S1163 H1169 V1172 F1177 L1187 D1230 F1234 F1295	A1155-M1159 PolarHBondContact O-N 3.47Å; C1156-M1159 PolarHBondContact O-N 3.02Å; C1156-M1159 VanDerWaalsContact O-N 3.12Å; M1159-L1162 HydrophobicContact CE-CD2 4.2Å; M1159-L1162 PolarHBondContact O-N 3.43Å; M1159-L1162 HydrophobicContact SD-CD2 4.35Å; M1159-S1163 VanDerWaalsContact O-CB 3.32Å; M1159-S1163 WeakPolarHBondContact O-CB 3.23Å; M1159-S1163 PolarHBondContact O-N 3.13Å; M1159-S1163 PolarHBondContact O-OG 3.38Å; M1159-H1169 HydrophobicContact CE-CB 4.29Å; M1159-V1172 HydrophobicContact CE-CG2 3.63Å; M1159-V1172 HydrophobicContact SD-CG2 3.9Å; M1159-F1177 HydrophobicContact CG-CZ 4.49Å; M1159-F1177 HydrophobicContact SD-CZ 4.49Å; M1159-L1187 HydrophobicContact SD-CD2 3.78Å; M1159-D1230 HydrophobicContact CE-CB 3.73Å; M1159-F1234 HydrophobicContact CG-CD2 4.08Å; M1159-F1234 HydrophobicContact CG-CE2 4.41Å; M1159-F1295 HydrophobicContact CB-CD1 3.5Å; M1159-F1295 HydrophobicContact CB-CD2 4.12Å; M1159-F1295 HydrophobicContact CB-CE1 3.44Å; M1159-F1295 VanDerWaalsContact CB-CE1 3.44Å; M1159-F1295 HydrophobicContact CB-CE2 4.06Å; M1159-F1295 HydrophobicContact CB-CG 3.86Å; M1159-F1295 HydrophobicContact CB-CZ 3.73Å; M1159-F1295 HydrophobicContact CE-CE1 4.41Å; M1159-F1295 HydrophobicContact CE-CE2 3.99Å; M1159-F1295 HydrophobicContact CE-CZ 3.69Å; M1159-F1295 HydrophobicContact CG-CD1 4.42Å; M1159-F1295 HydrophobicContact CG-CE1 3.93Å; M1159-F1295 HydrophobicContact CG-CZ 4.15Å
1160	V	98.6	Very high	96.3	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.024	13%	0.126	C	C	.	.	H	α-helix	trans	-56.9	-55.9	169.3	170.7	0	0	0	0	109.4	C1156 L1162 S1163 E1164 F1295 I1296 R1299	C1156-V1160 WeakPolarHBondContact O-CG2 3.45Å; C1156-V1160 PolarHBondContact O-N 3.28Å; V1160-L1162 VanDerWaalsContact C-N 3.33Å; V1160-L1162 PolarHBondContact O-N 3.06Å; V1160-S1163 PolarHBondContact O-N 3.27Å; V1160-S1163 PolarHBondContact O-OG 3.42Å; V1160-E1164 WeakPolarHBondContact O-CG 3.32Å; V1160-E1164 PolarHBondContact O-N 2.98Å; V1160-F1295 HydrophobicContact CB-CB 4.45Å; V1160-F1295 HydrophobicContact CG2-CB 3.71Å; V1160-I1296 HydrophobicContact CG1-CG1 3.9Å; V1160-I1296 HydrophobicContact CG2-CG1 4.39Å; V1160-R1299 HydrophobicContact CG2-CB 4.24Å
1161	Y	98.3	Very high	96.4	Very high	35 Å²	35	22.5 Å²	22.5	14%	0.137	11%	0.107	C	C	.	.	H	α-helix	trans	-58.1	-44.7	179.6	176.5	-94.9	0	0	0	112.2	L1061 Q1062 H1063 I1066 E1157 A1158 S1163 E1164 M1165	L1061-Y1161 HydrophobicContact CB-CE1 4.09Å; L1061-Y1161 HydrophobicContact CD2-CE1 3.83Å; L1061-Y1161 HydrophobicContact CG-CE1 4.45Å; Q1062-Y1161 PolarHBondContact N-OH 3.14Å; Q1062-Y1161 PolarHBondContact O-OH 3.04Å; H1063-Y1161 HydrophobicContact CB-CD1 3.77Å; H1063-Y1161 HydrophobicContact CB-CD2 4.11Å; H1063-Y1161 HydrophobicContact CB-CE1 3.92Å; H1063-Y1161 HydrophobicContact CB-CE2 4.27Å; H1063-Y1161 HydrophobicContact CB-CG 3.84Å; H1063-Y1161 AromaticContact CD2-CD2 3.97Å; H1063-Y1161 AromaticContact CG-CG 3.88Å; I1066-Y1161 HydrophobicContact CD1-CD1 3.44Å; I1066-Y1161 VanDerWaalsContact CD1-CD1 3.44Å; I1066-Y1161 HydrophobicContact CD1-CE1 3.85Å; E1157-Y1161 PolarHBondContact O-N 2.92Å; A1158-Y1161 PolarHBondContact O-N 3.46Å; Y1161-S1163 VanDerWaalsContact C-N 3.33Å; Y1161-S1163 PolarHBondContact O-N 3.36Å; Y1161-E1164 PolarHBondContact O-N 3.31Å; Y1161-M1165 HydrophobicContact CD1-CG 4.32Å; Y1161-M1165 HydrophobicContact CD2-CE 4.29Å; Y1161-M1165 HydrophobicContact CE1-CG 3.97Å; Y1161-M1165 HydrophobicContact CE2-CE 3.49Å; Y1161-M1165 VanDerWaalsContact CE2-CE 3.49Å; Y1161-M1165 HydrophobicContact CE2-CG 4.28Å; Y1161-M1165 WeakPolarHBondContact O-CG 3.47Å; Y1161-M1165 PolarHBondContact O-N 3.03Å
1162	L	97.4	Very high	96.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.5	-38.3	-179.1	-166.4	65.1	0	0	0	112.4	L1061 A1158 M1159 V1160 M1165 H1166 Y1167 H1169 L1187 F1190	L1061-L1162 HydrophobicContact CD1-CD1 3.72Å; L1061-L1162 HydrophobicContact CD2-CD1 4.34Å; A1158-L1162 WeakPolarHBondContact O-CB 2.98Å; A1158-L1162 PolarHBondContact O-N 3.08Å; M1159-L1162 HydrophobicContact CE-CD2 4.2Å; M1159-L1162 PolarHBondContact O-N 3.43Å; M1159-L1162 HydrophobicContact SD-CD2 4.35Å; V1160-L1162 VanDerWaalsContact C-N 3.33Å; V1160-L1162 PolarHBondContact O-N 3.06Å; L1162-M1165 CarbonylContact O-C 3.49Å; L1162-M1165 PolarHBondContact O-N 3.35Å; L1162-H1166 PolarHBondContact O-N 3.27Å; L1162-Y1167 HydrophobicContact CD1-CD2 4.13Å; L1162-Y1167 HydrophobicContact CD1-CG 4.03Å; L1162-Y1167 PolarHBondContact O-N 3.16Å; L1162-Y1167 VanDerWaalsContact O-N 3.14Å; L1162-H1169 HydrophobicContact CD2-CB 3.77Å; L1162-L1187 HydrophobicContact CD2-CD2 4.01Å; L1162-F1190 HydrophobicContact CD1-CE1 3.86Å; L1162-F1190 HydrophobicContact CD2-CE1 4.14Å
1163	S	95.9	Very high	96.5	Very high	20 Å²	20	22.4 Å²	22.4	14%	0.14	11%	0.107	C	C	.	.	H	α-helix	trans	-67.8	-37.5	176.7	72.8	0	0	0	0	113	M1159 V1160 Y1161 M1165 H1166	M1159-S1163 VanDerWaalsContact O-CB 3.32Å; M1159-S1163 WeakPolarHBondContact O-CB 3.23Å; M1159-S1163 PolarHBondContact O-N 3.13Å; M1159-S1163 PolarHBondContact O-OG 3.38Å; V1160-S1163 PolarHBondContact O-N 3.27Å; V1160-S1163 PolarHBondContact O-OG 3.42Å; Y1161-S1163 VanDerWaalsContact C-N 3.33Å; Y1161-S1163 PolarHBondContact O-N 3.36Å; S1163-M1165 VanDerWaalsContact C-N 3.31Å; S1163-H1166 PolarHBondContact O-N 3.27Å; S1163-H1166 VanDerWaalsContact O-N 3.08Å
1164	E	94.4	Very high	96.5	Very high	105 Å²	105	21.4 Å²	21.4	49%	0.491	10%	0.102	S	C	.	.	H	α-helix	trans	-68.3	-32.1	174.6	-71.4	177.3	169.5	0	0	111.8	V1160 Y1161 H1166	V1160-E1164 WeakPolarHBondContact O-CG 3.32Å; V1160-E1164 PolarHBondContact O-N 2.98Å; Y1161-E1164 PolarHBondContact O-N 3.31Å; E1164-H1166 PolarHBondContact O-N 2.96Å
1165	M	91.6	Very high	96.3	Very high	89 Å²	89	24.1 Å²	24.1	44%	0.438	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	5.6	171.6	-65.5	-63.5	166.7	0	0	113.2	L1061 Y1161 L1162 S1163 Y1167	L1061-M1165 HydrophobicContact CD2-CB 4.35Å; L1061-M1165 HydrophobicContact CD2-CG 4.31Å; Y1161-M1165 HydrophobicContact CD1-CG 4.32Å; Y1161-M1165 HydrophobicContact CD2-CE 4.29Å; Y1161-M1165 HydrophobicContact CE1-CG 3.97Å; Y1161-M1165 HydrophobicContact CE2-CE 3.49Å; Y1161-M1165 VanDerWaalsContact CE2-CE 3.49Å; Y1161-M1165 HydrophobicContact CE2-CG 4.28Å; Y1161-M1165 WeakPolarHBondContact O-CG 3.47Å; Y1161-M1165 PolarHBondContact O-N 3.03Å; L1162-M1165 CarbonylContact O-C 3.49Å; L1162-M1165 PolarHBondContact O-N 3.35Å; S1163-M1165 VanDerWaalsContact C-N 3.31Å; M1165-Y1167 VanDerWaalsContact C-N 3.33Å; M1165-Y1167 HydrophobicContact CB-CD2 3.74Å; M1165-Y1167 HydrophobicContact CB-CE2 4.12Å; M1165-Y1167 WeakPolarHBondContact O-CD2 3.23Å; M1165-Y1167 PolarHBondContact O-N 2.97Å
1166	H	91.4	Very high	96.1	Very high	116 Å²	116	24.1 Å²	24.1	54%	0.537	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	39.4	178	-61.1	-60.8	0	0	0	114.6	L1162 S1163 E1164 I1196	L1162-H1166 PolarHBondContact O-N 3.27Å; S1163-H1166 PolarHBondContact O-N 3.27Å; S1163-H1166 VanDerWaalsContact O-N 3.08Å; E1164-H1166 PolarHBondContact O-N 2.96Å; H1166-I1196 HydrophobicContact CB-CB 4.48Å; H1166-I1196 WeakPolarHBondContact O-CB 3.04Å; H1166-I1196 WeakPolarHBondContact O-CG1 3.43Å; H1166-I1196 PolarHBondContact O-N 3.47Å
1167	Y	94.3	Very high	96.1	Very high	26 Å²	26	24.1 Å²	24.1	10%	0.102	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	148.9	171.3	-75.7	-82	0	0	0	111.4	I1057 E1060 L1061 L1162 M1165 P1195	I1057-Y1167 HydrophobicContact CD1-CD1 4.28Å; I1057-Y1167 HydrophobicContact CD1-CE1 4.05Å; I1057-Y1167 HydrophobicContact CG1-CD1 4.46Å; I1057-Y1167 HydrophobicContact CG1-CE1 3.81Å; I1057-Y1167 HydrophobicContact CG2-CD1 4.49Å; I1057-Y1167 HydrophobicContact CG2-CE1 4.24Å; E1060-Y1167 PolarHBondContact OE2-OH 3.31Å; L1061-Y1167 HydrophobicContact CD2-CD2 4.22Å; L1061-Y1167 HydrophobicContact CD2-CE2 4.05Å; L1162-Y1167 HydrophobicContact CD1-CD2 4.13Å; L1162-Y1167 HydrophobicContact CD1-CG 4.03Å; L1162-Y1167 PolarHBondContact O-N 3.16Å; L1162-Y1167 VanDerWaalsContact O-N 3.14Å; M1165-Y1167 VanDerWaalsContact C-N 3.33Å; M1165-Y1167 HydrophobicContact CB-CD2 3.74Å; M1165-Y1167 HydrophobicContact CB-CE2 4.12Å; M1165-Y1167 WeakPolarHBondContact O-CD2 3.23Å; M1165-Y1167 PolarHBondContact O-N 2.97Å; Y1167-P1195 HydrophobicContact CD1-CB 3.99Å; Y1167-P1195 HydrophobicContact CE1-CB 3.65Å; Y1167-P1195 HydrophobicContact CE1-CG 4.27Å
1168	V	94.9	Very high	96	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	119.4	165.3	-168.8	0	0	0	0	108.1	R1170 C1193 R1194 I1196 I1203 F1225 H1226 I1227 D1230	V1168-R1170 HydrophobicContact CB-CG 4.16Å; V1168-R1170 HydrophobicContact CG1-CG 3.64Å; V1168-C1193 VanDerWaalsContact O-CA 3.31Å; V1168-C1193 WeakPolarHBondContact O-CA 3.42Å; V1168-C1193 PolarHBondContact O-SG 2.84Å; V1168-C1193 VanDerWaalsContact O-SG 3.36Å; V1168-R1194 PolarHBondContact N-O 2.81Å; V1168-R1194 PolarHBondContact O-N 3.2Å; V1168-I1196 HydrophobicContact CG2-CD1 3.68Å; V1168-I1196 HydrophobicContact CG2-CG1 3.73Å; V1168-I1203 HydrophobicContact CB-CD1 3.99Å; V1168-I1203 HydrophobicContact CG2-CD1 3.78Å; V1168-I1203 HydrophobicContact CG2-CG1 4.42Å; V1168-F1225 HydrophobicContact CG1-CB 4.24Å; V1168-H1226 VanDerWaalsContact CG1-O 3.23Å; V1168-H1226 WeakPolarHBondContact CG1-O 3.36Å; V1168-I1227 HydrophobicContact CG2-CG1 4.37Å; V1168-D1230 WeakPolarHBondContact CA-OD2 3.44Å; V1168-D1230 WeakPolarHBondContact CG1-OD2 3.45Å
1169	H	96	Very high	95.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.111	C	C	.	.			trans	-69.4	-44.9	-177.6	-169.9	-90.8	0	0	0	112	M1159 L1162 D1171 V1172 S1188 D1189 M1192 C1193 D1230	M1159-H1169 HydrophobicContact CE-CB 4.29Å; L1162-H1169 HydrophobicContact CD2-CB 3.77Å; H1169-D1171 PolarHBondContact CE1-O 2.93Å; H1169-D1171 VanDerWaalsContact CE1-O 3.27Å; H1169-D1171 PolarHBondContact ND1-N 2.7Å; H1169-D1171 PolarHBondContact ND1-O 3.03Å; H1169-D1171 PolarHBondContact O-N 2.01Å; H1169-D1171 VanDerWaalsContact O-N 3.13Å; H1169-V1172 HydrophobicContact CB-CG2 3.75Å; H1169-V1172 PolarHBondContact ND1-N 3.41Å; H1169-S1188 PolarHBondContact NE2-O 2.85Å; H1169-D1189 PolarHBondContact NE2-O 3.49Å; H1169-M1192 CarbonylContact O-C 3.57Å; H1169-C1193 WeakPolarHBondContact O-CA 3.04Å; H1169-C1193 PolarHBondContact O-N 3.09Å; H1169-D1230 PolarHBondContact N-OD2 2.81Å
1170	R	94.5	Very high	95.5	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	69.4	-6.2	177.5	-52.9	172.9	56.1	-139.3	-0.6	116.3	V1168 M1192 T1205 E1208 F1225 D1230	V1168-R1170 HydrophobicContact CB-CG 4.16Å; V1168-R1170 HydrophobicContact CG1-CG 3.64Å; R1170-M1192 HydrophobicContact CB-CB 4.41Å; R1170-M1192 WeakPolarHBondContact CD-O 3.25Å; R1170-M1192 PolarHBondContact NH1-O 3.18Å; R1170-M1192 VanDerWaalsContact NH1-O 3.13Å; R1170-T1205 PolarHBondContact NH2-OG1 3.13Å; R1170-E1208 IonicContact CZ-OE2 3.6Å; R1170-E1208 VanDerWaalsContact CZ-OE2 3.25Å; R1170-E1208 IonicContact NH1-OE2 3.12Å; R1170-E1208 PolarHBondContact NH1-OE2 3.48Å; R1170-E1208 IonicContact NH2-OE2 2.85Å; R1170-E1208 PolarHBondContact NH2-OE2 3.11Å; R1170-F1225 HydrophobicContact CB-CD1 4.07Å; R1170-F1225 HydrophobicContact CB-CE1 4.4Å; R1170-F1225 HydrophobicContact CG-CB 4.09Å; R1170-F1225 HydrophobicContact CG-CD1 3.71Å; R1170-F1225 HydrophobicContact CG-CE1 4.47Å; R1170-F1225 HydrophobicContact CG-CG 4Å; R1170-D1230 PolarHBondContact N-OD1 3.49Å
1171	D	94.7	Very high	94.8	Very high	8 Å²	8	29.1 Å²	29.1	4%	0.043	13%	0.134	C	C	.	.			trans	-136.7	47.2	174.8	-159.6	15.7	0	0	0	112.8	H1169 A1173 R1175 S1176 M1192	H1169-D1171 PolarHBondContact CE1-O 2.93Å; H1169-D1171 VanDerWaalsContact CE1-O 3.27Å; H1169-D1171 PolarHBondContact ND1-N 2.7Å; H1169-D1171 PolarHBondContact ND1-O 3.03Å; H1169-D1171 PolarHBondContact O-N 2.01Å; H1169-D1171 VanDerWaalsContact O-N 3.13Å; D1171-A1173 PolarHBondContact O-N 2.84Å; D1171-R1175 IonicContact OD1-CZ 2.73Å; D1171-R1175 IonicContact OD1-NH2 3.69Å; D1171-R1175 PolarHBondContact OD1-NH2 2.79Å; D1171-R1175 IonicContact OD2-CZ 3.9Å; D1171-R1175 VanDerWaalsContact OD2-CZ 3.29Å; D1171-R1175 IonicContact OD2-NH1 3.54Å; D1171-R1175 PolarHBondContact OD2-NH1 3.35Å; D1171-R1175 IonicContact OD2-NH2 3.98Å; D1171-R1175 PolarHBondContact OD2-NH2 3.49Å; D1171-S1176 WeakPolarHBondContact O-CB 3.06Å; D1171-S1176 PolarHBondContact O-OG 3.35Å; D1171-M1192 HydrophobicContact CB-SD 4.18Å
1172	V	98.3	Very high	94.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.163	C	C	.	.			trans	-75.7	109.6	177.5	-179	0	0	0	0	109.3	M1159 H1169 F1177 D1230 S1233 F1234 L1237	M1159-V1172 HydrophobicContact CE-CG2 3.63Å; M1159-V1172 HydrophobicContact SD-CG2 3.9Å; H1169-V1172 HydrophobicContact CB-CG2 3.75Å; H1169-V1172 PolarHBondContact ND1-N 3.41Å; V1172-F1177 HydrophobicContact CG1-CE2 4.1Å; V1172-D1230 HydrophobicContact CG2-CB 4.01Å; V1172-S1233 WeakPolarHBondContact O-CB 3.25Å; V1172-F1234 HydrophobicContact CG1-CB 4.38Å; V1172-F1234 HydrophobicContact CG1-CD2 4.33Å; V1172-L1237 HydrophobicContact CG1-CD1 4.02Å
1173	A	97.7	Very high	94	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-159.3	163.6	179.7	0	0	0	0	0	109.2	D1171 R1175 S1176 F1177 W1214	D1171-A1173 PolarHBondContact O-N 2.84Å; A1173-R1175 HydrophobicContact CB-CG 4Å; A1173-R1175 PolarHBondContact O-N 2.91Å; A1173-R1175 VanDerWaalsContact O-N 3.14Å; A1173-S1176 WeakPolarHBondContact O-CB 3.42Å; A1173-S1176 PolarHBondContact O-N 3.23Å; A1173-F1177 WeakPolarHBondContact O-CD2 3.38Å; A1173-W1214 HydrophobicContact CB-CD2 4.34Å; A1173-W1214 HydrophobicContact CB-CG 4.23Å; A1173-W1214 HydrophobicContact CB-CZ2 4.49Å; A1173-W1214 VanDerWaalsContact CB-NE1 3.32Å
1174	T	97.1	Very high	93.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-56.6	-32	179.2	56.3	0	0	0	0	113.6	F1091 Y1092 L1095 S1176 F1177 L1237 E1240 V1241	F1091-T1174 WeakPolarHBondContact CB-O 3.45Å; F1091-T1174 HydrophobicContact CD1-CG2 4.3Å; F1091-T1174 PolarHBondContact N-O 3.43Å; Y1092-T1174 WeakPolarHBondContact CB-OG1 3.28Å; Y1092-T1174 PolarHBondContact N-O 3.21Å; L1095-T1174 HydrophobicContact CD1-CG2 4.06Å; T1174-S1176 PolarHBondContact O-N 3.49Å; T1174-F1177 PolarHBondContact O-N 2.78Å; T1174-L1237 HydrophobicContact CG2-CG 4.33Å; T1174-E1240 HydrophobicContact CG2-CB 3.53Å; T1174-E1240 HydrophobicContact CG2-CG 4.36Å; T1174-E1240 PolarHBondContact N-OE2 3.47Å; T1174-E1240 VanDerWaalsContact N-OE2 3.1Å; T1174-E1240 PolarHBondContact OG1-OE1 2.87Å; T1174-V1241 HydrophobicContact CG2-CG2 3.94Å
1175	R	93.7	Very high	94.1	Very high	71 Å²	71	33.2 Å²	33.2	27%	0.268	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-65.5	-18.6	175.7	67.6	-170.5	179.5	95	0.2	115.1	D1171 A1173	D1171-R1175 IonicContact OD1-CZ 2.73Å; D1171-R1175 IonicContact OD1-NH2 3.69Å; D1171-R1175 PolarHBondContact OD1-NH2 2.79Å; D1171-R1175 IonicContact OD2-CZ 3.9Å; D1171-R1175 VanDerWaalsContact OD2-CZ 3.29Å; D1171-R1175 IonicContact OD2-NH1 3.54Å; D1171-R1175 PolarHBondContact OD2-NH1 3.35Å; D1171-R1175 IonicContact OD2-NH2 3.98Å; D1171-R1175 PolarHBondContact OD2-NH2 3.49Å; A1173-R1175 HydrophobicContact CB-CG 4Å; A1173-R1175 PolarHBondContact O-N 2.91Å; A1173-R1175 VanDerWaalsContact O-N 3.14Å
1176	S	95.1	Very high	94.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-92.8	-9.9	-179.7	-52	0	0	0	0	112.4	D1171 A1173 T1174 S1188	D1171-S1176 WeakPolarHBondContact O-CB 3.06Å; D1171-S1176 PolarHBondContact O-OG 3.35Å; A1173-S1176 WeakPolarHBondContact O-CB 3.42Å; A1173-S1176 PolarHBondContact O-N 3.23Å; T1174-S1176 PolarHBondContact O-N 3.49Å; S1176-S1188 CarbonylContact O-C 3.5Å; S1176-S1188 WeakPolarHBondContact O-CA 3.47Å; S1176-S1188 WeakPolarHBondContact O-CB 3.33Å; S1176-S1188 PolarHBondContact O-N 3.26Å; S1176-S1188 VanDerWaalsContact O-O 3.06Å; S1176-S1188 PolarHBondContact O-OG 2.81Å
1177	F	98.1	Very high	94.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	144.8	175.9	-72.9	-91.6	0	0	0	111	D1090 F1091 A1155 A1158 M1159 V1172 A1173 T1174 I1185 K1186 L1187 L1237	D1090-F1177 CarbonylContact C-O 3.51Å; D1090-F1177 VanDerWaalsContact CA-O 3.27Å; D1090-F1177 WeakPolarHBondContact CA-O 3.19Å; F1091-F1177 HydrophobicContact CB-CB 4.04Å; F1091-F1177 HydrophobicContact CD1-CB 4.39Å; F1091-F1177 PolarHBondContact N-O 2.69Å; A1155-F1177 HydrophobicContact CB-CD1 3.96Å; A1155-F1177 HydrophobicContact CB-CE1 3.55Å; A1155-F1177 HydrophobicContact CB-CZ 3.85Å; A1158-F1177 HydrophobicContact CB-CE1 4.31Å; M1159-F1177 HydrophobicContact CG-CZ 4.49Å; M1159-F1177 HydrophobicContact SD-CZ 4.49Å; V1172-F1177 HydrophobicContact CG1-CE2 4.1Å; A1173-F1177 WeakPolarHBondContact O-CD2 3.38Å; T1174-F1177 PolarHBondContact O-N 2.78Å; F1177-I1185 HydrophobicContact CB-CG2 3.77Å; F1177-I1185 HydrophobicContact CD1-CG2 3.48Å; F1177-I1185 VanDerWaalsContact CD1-CG2 3.48Å; F1177-I1185 HydrophobicContact CE1-CG2 4.4Å; F1177-I1185 HydrophobicContact CG-CG2 3.95Å; F1177-K1186 CarbonylContact C-O 3.46Å; F1177-K1186 WeakPolarHBondContact CA-O 2.85Å; F1177-L1187 HydrophobicContact CD1-CB 3.96Å; F1177-L1187 HydrophobicContact CD1-CD1 4.19Å; F1177-L1187 HydrophobicContact CD2-CD1 4.17Å; F1177-L1187 HydrophobicContact CE1-CB 3.61Å; F1177-L1187 HydrophobicContact CE1-CD1 3.8Å; F1177-L1187 HydrophobicContact CE1-CG 4.23Å; F1177-L1187 HydrophobicContact CE2-CD1 3.74Å; F1177-L1187 HydrophobicContact CG-CD1 4.39Å; F1177-L1187 HydrophobicContact CZ-CB 4.22Å; F1177-L1187 HydrophobicContact CZ-CD1 3.58Å; F1177-L1187 HydrophobicContact CZ-CG 4.35Å; F1177-L1237 HydrophobicContact CD2-CD1 3.49Å; F1177-L1237 VanDerWaalsContact CD2-CD1 3.49Å; F1177-L1237 HydrophobicContact CE2-CD1 3.2Å; F1177-L1237 HydrophobicContact CZ-CD1 4.09Å
1178	L	96.9	Very high	94.7	Very high	27 Å²	27	24 Å²	24	14%	0.141	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.7	178.1	-59.3	177.4	0	0	0	110.7	I1067 M1086 G1089 D1090 I1185 K1186	I1067-L1178 HydrophobicContact CD1-CD1 3.95Å; I1067-L1178 HydrophobicContact CG1-CD1 4.29Å; M1086-L1178 HydrophobicContact CB-CB 3.66Å; M1086-L1178 HydrophobicContact CB-CD1 4.11Å; M1086-L1178 HydrophobicContact CB-CG 4.45Å; M1086-L1178 HydrophobicContact CE-CB 4.03Å; M1086-L1178 WeakPolarHBondContact CE-O 3.22Å; M1086-L1178 HydrophobicContact CG-CB 3.65Å; M1086-L1178 HydrophobicContact CG-CD1 3.89Å; M1086-L1178 HydrophobicContact CG-CG 4.43Å; G1089-L1178 CarbonylContact O-C 3.58Å; G1089-L1178 WeakPolarHBondContact O-CA 3.39Å; D1090-L1178 HydrophobicContact CB-CD2 4.1Å; L1178-I1185 WeakPolarHBondContact O-CA 3.05Å; L1178-K1186 PolarHBondContact N-O 3.14Å; L1178-K1186 PolarHBondContact O-N 3.29Å
1179	V	95.3	Very high	94.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.5	-177.1	-169.4	0	0	0	0	110.8	F1088 G1089 F1091 F1094 M1151 L1183 I1185	F1088-V1179 HydrophobicContact CB-CB 3.84Å; F1088-V1179 HydrophobicContact CB-CG1 4.05Å; F1088-V1179 WeakPolarHBondContact CB-O 3.32Å; F1088-V1179 HydrophobicContact CD2-CG1 4.04Å; F1088-V1179 HydrophobicContact CG-CG1 4.45Å; F1088-V1179 PolarHBondContact N-O 3.4Å; F1088-V1179 VanDerWaalsContact N-O 3.13Å; G1089-V1179 PolarHBondContact O-N 3.38Å; F1091-V1179 HydrophobicContact CB-CG2 3.89Å; F1091-V1179 HydrophobicContact CD2-CG2 3.7Å; F1091-V1179 HydrophobicContact CG-CG2 4.12Å; F1094-V1179 HydrophobicContact CB-CG2 3.84Å; F1094-V1179 HydrophobicContact CD1-CG2 4.24Å; F1094-V1179 HydrophobicContact CD2-CB 4.46Å; F1094-V1179 HydrophobicContact CD2-CG1 4.2Å; F1094-V1179 HydrophobicContact CD2-CG2 4.48Å; F1094-V1179 HydrophobicContact CE2-CG1 4.27Å; F1094-V1179 HydrophobicContact CG-CB 4.4Å; F1094-V1179 HydrophobicContact CG-CG1 4.33Å; F1094-V1179 HydrophobicContact CG-CG2 3.94Å; F1094-V1179 HydrophobicContact CZ-CG1 4.45Å; M1151-V1179 HydrophobicContact CE-CG1 3.63Å; V1179-L1183 HydrophobicContact CG1-CD2 4.41Å; V1179-I1185 HydrophobicContact CB-CD1 4.13Å; V1179-I1185 HydrophobicContact CG1-CD1 4.05Å; V1179-I1185 HydrophobicContact CG2-CD1 3.6Å
1180	G	90.7	Very high	94.3	Very high	3 Å²	3	24.4 Å²	24.4	3%	0.031	11%	0.111	C	C	.	.			trans	-102.1	-179.5	-173.4	0	0	0	0	0	113.2	M1086 F1088 L1183 I1184	M1086-G1180 VanDerWaalsContact CE-CA 3.42Å; F1088-G1180 WeakPolarHBondContact CD2-O 3.17Å; F1088-G1180 WeakPolarHBondContact CE2-O 3.35Å; G1180-L1183 PolarHBondContact O-N 2.99Å; G1180-L1183 VanDerWaalsContact O-N 3.14Å; G1180-I1184 PolarHBondContact N-O 3.33Å
1181	K	85.5	Confident	93.8	Very high	112 Å²	112	25.6 Å²	25.6	49%	0.487	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-55.5	148	169.5	-64.6	-172.8	-178.3	-178.7	0	110.2	P1087 L1183 I1184	P1087-K1181 HydrophobicContact CG-CG 3.88Å; K1181-L1183 PolarHBondContact O-N 2.91Å; K1181-I1184 PolarHBondContact O-N 3.25Å
1182	K	87	Confident	93.5	Very high	170 Å²	170	26.5 Å²	26.5	74%	0.739	12%	0.124	S	C	*	.	G	3₁₀ helix	trans	56.1	27.5	-173.4	-53.9	179	176.8	179.6	0	113.7	I1184	K1182-I1184 PolarHBondContact O-N 2.86Å; K1182-I1184 VanDerWaalsContact O-N 3.16Å
1183	L	90.8	Very high	93.2	Very high	19 Å²	19	26.5 Å²	26.5	10%	0.099	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	59.4	22.3	178.8	-53.4	-177.9	0	0	0	115	F1094 P1140 M1147 M1151 V1179 G1180 K1181 I1185	F1094-L1183 HydrophobicContact CE2-CD2 4.21Å; F1094-L1183 HydrophobicContact CZ-CD2 3.72Å; P1140-L1183 HydrophobicContact CG-CD1 3.94Å; M1147-L1183 HydrophobicContact CE-CD1 3.23Å; M1151-L1183 HydrophobicContact CE-CB 3.72Å; M1151-L1183 HydrophobicContact CE-CD1 4.4Å; M1151-L1183 HydrophobicContact CE-CD2 4.01Å; M1151-L1183 HydrophobicContact CE-CG 4.24Å; M1151-L1183 HydrophobicContact CG-CB 4.49Å; V1179-L1183 HydrophobicContact CG1-CD2 4.41Å; G1180-L1183 PolarHBondContact O-N 2.99Å; G1180-L1183 VanDerWaalsContact O-N 3.14Å; K1181-L1183 PolarHBondContact O-N 2.91Å; L1183-I1185 PolarHBondContact O-N 2.7Å
1184	I	94.4	Very high	92.8	Very high	56 Å²	56	27.7 Å²	27.7	29%	0.287	13%	0.128	S	C	.	.			trans	-66.6	129	177.2	-64.9	172.8	0	0	0	109.7	D1154 G1180 K1181 K1182 K1186	D1154-I1184 WeakPolarHBondContact OD2-CA 3.34Å; G1180-I1184 PolarHBondContact N-O 3.33Å; K1181-I1184 PolarHBondContact O-N 3.25Å; K1182-I1184 PolarHBondContact O-N 2.86Å; K1182-I1184 VanDerWaalsContact O-N 3.16Å; I1184-K1186 HydrophobicContact CG2-CG 4.38Å
1185	I	97.7	Very high	92.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	134	177	-58	-60.8	0	0	0	110.7	N1065 F1091 M1151 D1154 A1155 F1177 L1178 V1179 L1183	N1065-I1185 PolarHBondContact ND2-O 2.86Å; F1091-I1185 HydrophobicContact CD1-CD1 4.32Å; F1091-I1185 HydrophobicContact CD2-CD1 3.97Å; F1091-I1185 HydrophobicContact CE1-CD1 4.41Å; F1091-I1185 HydrophobicContact CE2-CD1 4.08Å; F1091-I1185 HydrophobicContact CG-CD1 4.11Å; F1091-I1185 HydrophobicContact CZ-CD1 4.3Å; M1151-I1185 HydrophobicContact CB-CD1 4.16Å; M1151-I1185 HydrophobicContact CB-CG1 3.62Å; M1151-I1185 HydrophobicContact CE-CD1 3.87Å; M1151-I1185 HydrophobicContact CG-CD1 4.16Å; M1151-I1185 HydrophobicContact CG-CG1 3.95Å; M1151-I1185 WeakPolarHBondContact O-CG1 3.26Å; M1151-I1185 HydrophobicContact SD-CD1 4.49Å; D1154-I1185 HydrophobicContact CB-CB 3.74Å; D1154-I1185 HydrophobicContact CB-CG1 4.35Å; D1154-I1185 PolarHBondContact OD2-N 2.97Å; D1154-I1185 VanDerWaalsContact OD2-N 3.14Å; A1155-I1185 HydrophobicContact CB-CG2 4.15Å; F1177-I1185 HydrophobicContact CB-CG2 3.77Å; F1177-I1185 HydrophobicContact CD1-CG2 3.48Å; F1177-I1185 VanDerWaalsContact CD1-CG2 3.48Å; F1177-I1185 HydrophobicContact CE1-CG2 4.4Å; F1177-I1185 HydrophobicContact CG-CG2 3.95Å; L1178-I1185 WeakPolarHBondContact O-CA 3.05Å; V1179-I1185 HydrophobicContact CB-CD1 4.13Å; V1179-I1185 HydrophobicContact CG1-CD1 4.05Å; V1179-I1185 HydrophobicContact CG2-CD1 3.6Å; L1183-I1185 PolarHBondContact O-N 2.7Å
1186	K	98	Very high	91.9	Very high	28 Å²	28	29.2 Å²	29.2	12%	0.122	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	134.8	172.5	-55.4	-167.7	-178.1	-164.6	0	112.4	R1064 N1065 E1084 M1086 F1177 L1178 I1184	R1064-K1186 WeakPolarHBondContact O-CE 3.31Å; N1065-K1186 CarbonylContact O-C 3.57Å; N1065-K1186 VanDerWaalsContact O-CA 3.27Å; N1065-K1186 WeakPolarHBondContact O-CA 3.33Å; E1084-K1186 IonicContact OE1-NZ 3.63Å; E1084-K1186 PolarHBondContact OE1-NZ 2.94Å; E1084-K1186 IonicContact OE2-NZ 3.94Å; E1084-K1186 PolarHBondContact OE2-NZ 3.16Å; M1086-K1186 HydrophobicContact CE-CB 3.83Å; M1086-K1186 HydrophobicContact CE-CD 3.96Å; M1086-K1186 HydrophobicContact CE-CG 3.56Å; M1086-K1186 HydrophobicContact SD-CD 3.9Å; M1086-K1186 HydrophobicContact SD-CG 4.2Å; F1177-K1186 CarbonylContact C-O 3.46Å; F1177-K1186 WeakPolarHBondContact CA-O 2.85Å; L1178-K1186 PolarHBondContact N-O 3.14Å; L1178-K1186 PolarHBondContact O-N 3.29Å; I1184-K1186 HydrophobicContact CG2-CG 4.38Å
1187	L	98.4	Very high	91.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	136.8	172.8	-178.5	60.3	0	0	0	110.7	N1065 I1066 I1067 A1158 M1159 L1162 F1177 F1190	N1065-L1187 PolarHBondContact O-N 3.35Å; I1066-L1187 HydrophobicContact CG1-CB 4.45Å; I1067-L1187 WeakPolarHBondContact CB-O 3.35Å; I1067-L1187 WeakPolarHBondContact CG2-O 3.37Å; I1067-L1187 PolarHBondContact N-O 3.42Å; A1158-L1187 HydrophobicContact CB-CB 3.89Å; A1158-L1187 HydrophobicContact CB-CD2 4.43Å; M1159-L1187 HydrophobicContact SD-CD2 3.78Å; L1162-L1187 HydrophobicContact CD2-CD2 4.01Å; F1177-L1187 HydrophobicContact CD1-CB 3.96Å; F1177-L1187 HydrophobicContact CD1-CD1 4.19Å; F1177-L1187 HydrophobicContact CD2-CD1 4.17Å; F1177-L1187 HydrophobicContact CE1-CB 3.61Å; F1177-L1187 HydrophobicContact CE1-CD1 3.8Å; F1177-L1187 HydrophobicContact CE1-CG 4.23Å; F1177-L1187 HydrophobicContact CE2-CD1 3.74Å; F1177-L1187 HydrophobicContact CG-CD1 4.39Å; F1177-L1187 HydrophobicContact CZ-CB 4.22Å; F1177-L1187 HydrophobicContact CZ-CD1 3.58Å; F1177-L1187 HydrophobicContact CZ-CG 4.35Å; L1187-F1190 HydrophobicContact CB-CZ 4.44Å; L1187-F1190 HydrophobicContact CD2-CE1 4.14Å; L1187-F1190 HydrophobicContact CD2-CZ 3.77Å; L1187-F1190 HydrophobicContact CG-CE2 4.2Å; L1187-F1190 HydrophobicContact CG-CZ 3.82Å
1188	S	93.4	Very high	89.7	Confident	9 Å²	9	42.6 Å²	42.6	6%	0.063	22%	0.222	C	C	.	.			trans	-137.4	179.5	177.7	73.5	0	0	0	0	110.4	H1169 S1176	H1169-S1188 PolarHBondContact NE2-O 2.85Å; S1176-S1188 CarbonylContact O-C 3.5Å; S1176-S1188 WeakPolarHBondContact O-CA 3.47Å; S1176-S1188 WeakPolarHBondContact O-CB 3.33Å; S1176-S1188 PolarHBondContact O-N 3.26Å; S1176-S1188 VanDerWaalsContact O-O 3.06Å; S1176-S1188 PolarHBondContact O-OG 2.81Å
1189	D	89.8	Confident	88.5	Confident	9 Å²	9	45.6 Å²	45.6	5%	0.048	26%	0.259	C	S	.	.			trans	65.5	62.3	176.2	-146.8	-19.5	0	0	0	115.3	R975 K1037 H1169 S1191	R975-D1189 IonicContact NH1-OD2 2.75Å; R975-D1189 PolarHBondContact NH1-OD2 2.9Å; K1037-D1189 IonicContact NZ-OD1 2.84Å; H1169-D1189 PolarHBondContact NE2-O 3.49Å; D1189-S1191 PolarHBondContact O-N 3.33Å; D1189-S1191 WeakPolarHBondContact OD1-CB 3.41Å; D1189-S1191 PolarHBondContact OD1-OG 3.3Å
1190	F	92.3	Very high	87.6	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	16.6	179	-67.2	-99.3	0	0	0	113.7	E1054 I1057 L1058 L1061 I1066 I1067 L1162 L1187 M1192 C1193	E1054-F1190 HydrophobicContact CB-CB 4.35Å; E1054-F1190 HydrophobicContact CG-CB 4.09Å; I1057-F1190 HydrophobicContact CG2-CB 4.34Å; I1057-F1190 HydrophobicContact CG2-CD1 3.75Å; I1057-F1190 HydrophobicContact CG2-CE1 4.41Å; I1057-F1190 HydrophobicContact CG2-CG 4.24Å; L1058-F1190 HydrophobicContact CD1-CD2 4.44Å; L1058-F1190 HydrophobicContact CD2-CD2 3.4Å; L1058-F1190 HydrophobicContact CD2-CE2 3.47Å; L1058-F1190 VanDerWaalsContact CD2-CE2 3.47Å; L1058-F1190 HydrophobicContact CD2-CG 4.16Å; L1058-F1190 HydrophobicContact CD2-CZ 4.28Å; L1058-F1190 HydrophobicContact CG-CD2 3.94Å; L1058-F1190 HydrophobicContact CG-CE2 4.49Å; L1058-F1190 HydrophobicContact CG-CG 4.41Å; L1061-F1190 HydrophobicContact CD1-CD1 4.03Å; L1061-F1190 HydrophobicContact CD1-CE1 3.46Å; L1061-F1190 VanDerWaalsContact CD1-CE1 3.46Å; L1061-F1190 HydrophobicContact CD1-CZ 3.89Å; I1066-F1190 HydrophobicContact CD1-CZ 4.36Å; I1066-F1190 HydrophobicContact CG1-CZ 4.49Å; I1066-F1190 HydrophobicContact CG2-CE2 3.92Å; I1066-F1190 HydrophobicContact CG2-CZ 3.69Å; I1067-F1190 HydrophobicContact CG2-CE2 4.48Å; L1162-F1190 HydrophobicContact CD1-CE1 3.86Å; L1162-F1190 HydrophobicContact CD2-CE1 4.14Å; L1187-F1190 HydrophobicContact CB-CZ 4.44Å; L1187-F1190 HydrophobicContact CD2-CE1 4.14Å; L1187-F1190 HydrophobicContact CD2-CZ 3.77Å; L1187-F1190 HydrophobicContact CG-CE2 4.2Å; L1187-F1190 HydrophobicContact CG-CZ 3.82Å; F1190-M1192 VanDerWaalsContact C-N 3.31Å; F1190-M1192 PolarHBondContact O-N 3.08Å; F1190-C1193 HydrophobicContact CB-CB 4.01Å; F1190-C1193 HydrophobicContact CD1-CB 4Å; F1190-C1193 HydrophobicContact CG-CB 4.49Å; F1190-C1193 VanDerWaalsContact O-CB 3.3Å; F1190-C1193 WeakPolarHBondContact O-CB 3.35Å; F1190-C1193 PolarHBondContact O-N 3.29Å; F1190-C1193 VanDerWaalsContact O-N 3.14Å
1191	S	85.5	Confident	87.2	Confident	25 Å²	25	52 Å²	52	18%	0.175	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-35.6	-174.9	61.1	0	0	0	0	113.1	D1189 R1194	D1189-S1191 PolarHBondContact O-N 3.33Å; D1189-S1191 WeakPolarHBondContact OD1-CB 3.41Å; D1189-S1191 PolarHBondContact OD1-OG 3.3Å; S1191-R1194 PolarHBondContact O-NH1 2.75Å; S1191-R1194 VanDerWaalsContact O-NH1 3.15Å
1192	M	87.9	Confident	87.1	Confident	27 Å²	27	50.2 Å²	50.2	13%	0.133	29%	0.288	C	S	.	.	S	Bend	trans	-91.2	-11.2	176.1	-65.5	-169.6	69.6	0	0	114	H1169 R1170 D1171 F1190 R1194	H1169-M1192 CarbonylContact O-C 3.57Å; R1170-M1192 HydrophobicContact CB-CB 4.41Å; R1170-M1192 WeakPolarHBondContact CD-O 3.25Å; R1170-M1192 PolarHBondContact NH1-O 3.18Å; R1170-M1192 VanDerWaalsContact NH1-O 3.13Å; D1171-M1192 HydrophobicContact CB-SD 4.18Å; F1190-M1192 VanDerWaalsContact C-N 3.31Å; F1190-M1192 PolarHBondContact O-N 3.08Å; M1192-R1194 VanDerWaalsContact C-NH1 3.31Å; M1192-R1194 PolarHBondContact O-NH1 3.25Å; M1192-R1194 VanDerWaalsContact O-NH1 3.16Å
1193	C	91.6	Very high	87	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.258	C	S	.	.			trans	-62.8	144.9	-175.9	-172.1	0	0	0	0	111.3	R1053 I1057 V1168 H1169 F1190	R1053-C1193 WeakPolarHBondContact CD-O 3.47Å; I1057-C1193 HydrophobicContact CD1-CB 3.69Å; V1168-C1193 VanDerWaalsContact O-CA 3.31Å; V1168-C1193 WeakPolarHBondContact O-CA 3.42Å; V1168-C1193 PolarHBondContact O-SG 2.84Å; V1168-C1193 VanDerWaalsContact O-SG 3.36Å; H1169-C1193 WeakPolarHBondContact O-CA 3.04Å; H1169-C1193 PolarHBondContact O-N 3.09Å; F1190-C1193 HydrophobicContact CB-CB 4.01Å; F1190-C1193 HydrophobicContact CD1-CB 4Å; F1190-C1193 HydrophobicContact CG-CB 4.49Å; F1190-C1193 VanDerWaalsContact O-CB 3.3Å; F1190-C1193 WeakPolarHBondContact O-CB 3.35Å; F1190-C1193 PolarHBondContact O-N 3.29Å; F1190-C1193 VanDerWaalsContact O-N 3.14Å
1194	R	89.3	Confident	86.3	Confident	26 Å²	26	46.2 Å²	46.2	10%	0.098	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	138.7	-178.4	-61.2	-67.9	-178.4	-89.2	-0.4	110.6	N1050 R1053 V1168 S1191 M1192 I1203 E1208	N1050-R1194 PolarHBondContact OD1-NH2 3.22Å; N1050-R1194 VanDerWaalsContact OD1-NH2 3.15Å; R1053-R1194 VanDerWaalsContact CD-NH1 3.31Å; R1053-R1194 VanDerWaalsContact NH1-NH2 3.16Å; V1168-R1194 PolarHBondContact N-O 2.81Å; V1168-R1194 PolarHBondContact O-N 3.2Å; S1191-R1194 PolarHBondContact O-NH1 2.75Å; S1191-R1194 VanDerWaalsContact O-NH1 3.15Å; M1192-R1194 VanDerWaalsContact C-NH1 3.31Å; M1192-R1194 PolarHBondContact O-NH1 3.25Å; M1192-R1194 VanDerWaalsContact O-NH1 3.16Å; R1194-I1203 HydrophobicContact CB-CD1 3.35Å; R1194-I1203 HydrophobicContact CB-CG2 4.01Å; R1194-I1203 HydrophobicContact CG-CD1 4.49Å; R1194-I1203 HydrophobicContact CG-CG2 4.17Å; R1194-I1203 VanDerWaalsContact O-CD1 3.31Å; R1194-I1203 WeakPolarHBondContact O-CD1 3.43Å; R1194-E1208 IonicContact NH2-OE1 3.95Å; R1194-E1208 PolarHBondContact NH2-OE1 2.9Å
1195	P	87.7	Confident	85.1	Confident	70 Å²	70	44.7 Å²	44.7	46%	0.455	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	146.1	172.1	30.3	-33.2	0	0	0	110.8	Y1167	Y1167-P1195 HydrophobicContact CD1-CB 3.99Å; Y1167-P1195 HydrophobicContact CE1-CB 3.65Å; Y1167-P1195 HydrophobicContact CE1-CG 4.27Å
1196	I	85.2	Confident	83.3	Confident	32 Å²	32	49.3 Å²	49.3	16%	0.164	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-82.9	129.8	172.3	-60	171.8	0	0	0	108.7	H1166 V1168 V1200 I1203 I1227	H1166-I1196 HydrophobicContact CB-CB 4.48Å; H1166-I1196 WeakPolarHBondContact O-CB 3.04Å; H1166-I1196 WeakPolarHBondContact O-CG1 3.43Å; H1166-I1196 PolarHBondContact O-N 3.47Å; V1168-I1196 HydrophobicContact CG2-CD1 3.68Å; V1168-I1196 HydrophobicContact CG2-CG1 3.73Å; I1196-V1200 WeakPolarHBondContact CG2-O 3.32Å; I1196-I1203 HydrophobicContact CG1-CD1 4.08Å; I1196-I1203 HydrophobicContact CG1-CG1 4.32Å; I1196-I1227 HydrophobicContact CD1-CD1 3.75Å; I1196-I1227 HydrophobicContact CD1-CG1 3.47Å; I1196-I1227 VanDerWaalsContact CD1-CG1 3.47Å
1197	Q	76.8	Confident	81.5	Confident	149 Å²	149	55.5 Å²	55.5	70%	0.696	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-77.1	144.8	179.8	-65.4	-179.9	12.7	0	0	111.2	G1199 V1200	Q1197-G1199 PolarHBondContact O-N 3.37Å; Q1197-V1200 HydrophobicContact CB-CG2 4.48Å; Q1197-V1200 PolarHBondContact O-N 2.78Å
1198	S	69.5	Low	80	Confident	132 Å²	132	57.6 Å²	57.6	92%	0.923	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	125	177.4	-53.2	0	0	0	0	111.6
1199	G	71.5	Confident	78.9	Confident	90 Å²	90	62.4 Å²	62.4	93%	0.928	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	-1.3	-179.6	0	0	0	0	0	115.3	Q1197	Q1197-G1199 PolarHBondContact O-N 3.37Å
1200	V	77.7	Confident	78.8	Confident	58 Å²	58	64.2 Å²	64.2	35%	0.352	39%	0.392	S	S	.	.			trans	-119.3	135	173	-169.1	0	0	0	0	108.1	I1196 Q1197 F1202	I1196-V1200 WeakPolarHBondContact CG2-O 3.32Å; Q1197-V1200 HydrophobicContact CB-CG2 4.48Å; Q1197-V1200 PolarHBondContact O-N 2.78Å; V1200-F1202 HydrophobicContact CG1-CD1 3.66Å; V1200-F1202 HydrophobicContact CG1-CE1 3.72Å; V1200-F1202 HydrophobicContact CG1-CG 4.2Å; V1200-F1202 HydrophobicContact CG1-CZ 4.3Å; V1200-F1202 WeakPolarHBondContact CG1-O 3.15Å
1201	D	80.7	Confident	78.8	Confident	81 Å²	81	64.8 Å²	64.8	43%	0.433	40%	0.396	S	S	.	.	S	Bend	trans	-97.7	5.9	-179.1	71.7	-29	0	0	0	113.5	H1226 R1289	D1201-H1226 PolarHBondContact O-ND1 3.48Å; D1201-H1226 IonicContact OD2-CE1 2.94Å; D1201-R1289 IonicContact OD2-CZ 3.63Å; D1201-R1289 IonicContact OD2-NH1 3.57Å; D1201-R1289 IonicContact OD2-NH2 3.22Å; D1201-R1289 PolarHBondContact OD2-NH2 2.76Å
1202	F	84	Confident	79.2	Confident	74 Å²	74	65.3 Å²	65.3	33%	0.325	40%	0.396	S	S	.	.			trans	-143.7	165.1	-175	75.8	-88.3	0	0	0	113.5	V1200 K1224 F1225 H1226	V1200-F1202 HydrophobicContact CG1-CD1 3.66Å; V1200-F1202 HydrophobicContact CG1-CE1 3.72Å; V1200-F1202 HydrophobicContact CG1-CG 4.2Å; V1200-F1202 HydrophobicContact CG1-CZ 4.3Å; V1200-F1202 WeakPolarHBondContact CG1-O 3.15Å; F1202-K1224 HydrophobicContact CD2-CG 4.22Å; F1202-F1225 CarbonylContact C-O 3.56Å; F1202-F1225 VanDerWaalsContact CA-O 3.31Å; F1202-F1225 WeakPolarHBondContact CA-O 3.22Å; F1202-H1226 WeakPolarHBondContact CB-CE1 3.08Å
1203	I	84.3	Confident	79.6	Confident	22 Å²	22	64.9 Å²	64.9	11%	0.113	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	119	175.1	-52.4	-179.3	0	0	0	106.6	V1168 R1194 I1196 T1205 F1225	V1168-I1203 HydrophobicContact CB-CD1 3.99Å; V1168-I1203 HydrophobicContact CG2-CD1 3.78Å; V1168-I1203 HydrophobicContact CG2-CG1 4.42Å; R1194-I1203 HydrophobicContact CB-CD1 3.35Å; R1194-I1203 HydrophobicContact CB-CG2 4.01Å; R1194-I1203 HydrophobicContact CG-CD1 4.49Å; R1194-I1203 HydrophobicContact CG-CG2 4.17Å; R1194-I1203 VanDerWaalsContact O-CD1 3.31Å; R1194-I1203 WeakPolarHBondContact O-CD1 3.43Å; I1196-I1203 HydrophobicContact CG1-CD1 4.08Å; I1196-I1203 HydrophobicContact CG1-CG1 4.32Å; I1203-T1205 HydrophobicContact CG2-CG2 4.25Å; I1203-F1225 HydrophobicContact CB-CB 4.39Å; I1203-F1225 PolarHBondContact N-O 2.85Å; I1203-F1225 PolarHBondContact O-N 3.32Å
1204	S	75.8	Confident	79.9	Confident	82 Å²	82	66.4 Å²	66.4	57%	0.573	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.3	172.9	173	0	0	0	0	109.2
1205	T	69.8	Low	80.3	Confident	25 Å²	25	65.2 Å²	65.2	15%	0.153	40%	0.395	C	S	.	.			trans	-119.4	146.6	170.9	58.2	0	0	0	0	109.6	R1170 I1203 G1223 F1225	R1170-T1205 PolarHBondContact NH2-OG1 3.13Å; I1203-T1205 HydrophobicContact CG2-CG2 4.25Å; T1205-G1223 PolarHBondContact N-O 3.36Å; T1205-G1223 VanDerWaalsContact N-O 3.14Å; T1205-F1225 VanDerWaalsContact OG1-CE2 3.31Å; T1205-F1225 WeakPolarHBondContact OG1-CE2 3.31Å
1206	S	61.1	Low	80.7	Confident	97 Å²	97	61.9 Å²	61.9	68%	0.678	37%	0.373	S	S	*	.			trans	-118.2	141.4	172.5	47.8	0	0	0	0	108.5	E1208	S1206-E1208 PolarHBondContact O-N 2.76Å
1207	N	58.4	Low	81.2	Confident	157 Å²	157	62 Å²	62	84%	0.84	38%	0.375	S	S	*	.	S	Bend	trans	56.6	49.6	169.9	-55	-2.7	0	0	0	114.2	K1046	K1046-N1207 PolarHBondContact NZ-O 3.28Å
1208	E	67.4	Low	82	Confident	44 Å²	44	56.8 Å²	56.8	21%	0.206	35%	0.35	C	S	.	.			trans	-114	144.9	168.7	-55.6	-165.2	145.6	0	0	110	R1170 R1194 S1206 L1210	R1170-E1208 IonicContact CZ-OE2 3.6Å; R1170-E1208 VanDerWaalsContact CZ-OE2 3.25Å; R1170-E1208 IonicContact NH1-OE2 3.12Å; R1170-E1208 PolarHBondContact NH1-OE2 3.48Å; R1170-E1208 IonicContact NH2-OE2 2.85Å; R1170-E1208 PolarHBondContact NH2-OE2 3.11Å; R1194-E1208 IonicContact NH2-OE1 3.95Å; R1194-E1208 PolarHBondContact NH2-OE1 2.9Å; S1206-E1208 PolarHBondContact O-N 2.76Å; E1208-L1210 HydrophobicContact CB-CD2 4.44Å; E1208-L1210 WeakPolarHBondContact O-CG 3.48Å; E1208-L1210 PolarHBondContact O-N 3.06Å
1209	C	71.7	Confident	83.2	Confident	110 Å²	110	50.5 Å²	50.5	74%	0.743	31%	0.306	S	S	*	.			trans	-64.4	131.4	167.7	-62.6	0	0	0	0	108.6
1210	L	85.9	Confident	84.2	Confident	47 Å²	47	47.6 Å²	47.6	25%	0.246	27%	0.269	C	S	.	.			trans	-114.7	142.2	-173.7	-61.9	-175.1	0	0	0	111.1	E1208 I1212 L1215 F1225	E1208-L1210 HydrophobicContact CB-CD2 4.44Å; E1208-L1210 WeakPolarHBondContact O-CG 3.48Å; E1208-L1210 PolarHBondContact O-N 3.06Å; L1210-I1212 HydrophobicContact CB-CG1 4.33Å; L1210-I1212 PolarHBondContact O-N 2.9Å; L1210-L1215 HydrophobicContact CB-CD1 3.81Å; L1210-L1215 HydrophobicContact CD1-CD1 4.3Å; L1210-L1215 HydrophobicContact CD2-CD1 4.49Å; L1210-L1215 HydrophobicContact CG-CD1 4.42Å; L1210-F1225 HydrophobicContact CD1-CZ 4.23Å; L1210-F1225 HydrophobicContact CD2-CE1 4.44Å; L1210-F1225 HydrophobicContact CD2-CE2 4.33Å; L1210-F1225 HydrophobicContact CD2-CZ 3.58Å
1211	P	92.5	Very high	84.8	Confident	13 Å²	13	49.3 Å²	49.3	8%	0.084	28%	0.276	C	S	.	.			trans	-75.7	69.2	171.9	31.9	-36	0	0	0	110.8	K1213 W1214 L1215	P1211-K1213 VanDerWaalsContact C-N 3.27Å; P1211-K1213 PolarHBondContact O-N 2.84Å; P1211-K1213 VanDerWaalsContact O-N 3.07Å; P1211-W1214 HydrophobicContact CB-CB 4.48Å; P1211-W1214 HydrophobicContact CB-CE3 4.01Å; P1211-W1214 PolarHBondContact O-N 2.64Å; P1211-L1215 HydrophobicContact CG-CD1 4.17Å; P1211-L1215 HydrophobicContact CG-CD2 4.42Å; P1211-L1215 HydrophobicContact CG-CG 4.12Å; P1211-L1215 PolarHBondContact O-N 3.35Å
1212	I	94.4	Very high	85.1	Confident	35 Å²	35	49.8 Å²	49.8	18%	0.179	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-48.2	-44.4	-167.8	-68.9	167.6	0	0	0	113	L1210 W1214 L1215 I1220 H1254	L1210-I1212 HydrophobicContact CB-CG1 4.33Å; L1210-I1212 PolarHBondContact O-N 2.9Å; I1212-W1214 PolarHBondContact O-N 3.36Å; I1212-W1214 VanDerWaalsContact O-N 3.13Å; I1212-L1215 PolarHBondContact O-N 2.8Å; I1212-L1215 VanDerWaalsContact O-N 3.12Å; I1212-I1220 HydrophobicContact CG2-CD1 4.06Å; I1212-I1220 HydrophobicContact CG2-CG1 4.44Å; I1212-H1254 HydrophobicContact CD1-CB 4.09Å; I1212-H1254 WeakPolarHBondContact CD1-ND1 3.46Å; I1212-H1254 HydrophobicContact CG2-CB 4.18Å
1213	K	96.6	Very high	85.3	Confident	19 Å²	19	46.8 Å²	46.8	8%	0.083	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-63.2	-17.7	-179.3	-68.4	176.6	167	-161.5	0	114.8	P1211 E1247 P1248 F1249 I1257	P1211-K1213 VanDerWaalsContact C-N 3.27Å; P1211-K1213 PolarHBondContact O-N 2.84Å; P1211-K1213 VanDerWaalsContact O-N 3.07Å; K1213-E1247 HydrophobicContact CD-CG 4.31Å; K1213-E1247 IonicContact NZ-OE1 3.9Å; K1213-E1247 PolarHBondContact NZ-OE1 3.43Å; K1213-E1247 IonicContact NZ-OE2 2.68Å; K1213-P1248 HydrophobicContact CB-CB 4.37Å; K1213-P1248 VanDerWaalsContact CD-O 3.3Å; K1213-P1248 WeakPolarHBondContact CD-O 3.31Å; K1213-P1248 PolarHBondContact NZ-O 3.29Å; K1213-F1249 HydrophobicContact CB-CD2 4.39Å; K1213-I1257 HydrophobicContact CG-CD1 3.75Å
1214	W	98	Very high	85.6	Confident	31 Å²	31	49.4 Å²	49.4	12%	0.117	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-104.2	-4.9	178.6	-69.1	-99.1	0	0	0	113.2	A1173 P1211 I1212 W1232 S1233 V1236 E1240 P1248	A1173-W1214 HydrophobicContact CB-CD2 4.34Å; A1173-W1214 HydrophobicContact CB-CG 4.23Å; A1173-W1214 HydrophobicContact CB-CZ2 4.49Å; A1173-W1214 VanDerWaalsContact CB-NE1 3.32Å; P1211-W1214 HydrophobicContact CB-CB 4.48Å; P1211-W1214 HydrophobicContact CB-CE3 4.01Å; P1211-W1214 PolarHBondContact O-N 2.64Å; I1212-W1214 PolarHBondContact O-N 3.36Å; I1212-W1214 VanDerWaalsContact O-N 3.13Å; W1214-W1232 VanDerWaalsContact O-CD1 3.27Å; W1214-S1233 VanDerWaalsContact O-CA 3.3Å; W1214-S1233 WeakPolarHBondContact O-CA 3.44Å; W1214-S1233 WeakPolarHBondContact O-CB 3.4Å; W1214-S1233 PolarHBondContact O-OG 3.19Å; W1214-V1236 VanDerWaalsContact CD1-CG1 3.44Å; W1214-V1236 HydrophobicContact CG-CB 4.45Å; W1214-V1236 HydrophobicContact CG-CG1 4.03Å; W1214-E1240 VanDerWaalsContact NE1-CD 3.27Å; W1214-E1240 PolarHBondContact NE1-OE2 3.35Å; W1214-P1248 HydrophobicContact CZ2-CG 3.96Å
1215	L	97.3	Very high	86.5	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	25%	0.251	C	S	.	.	S	Bend	trans	-105.1	151.5	-171.4	-68.3	179.1	0	0	0	113.1	L1210 P1211 I1212 I1220 F1225 T1229 W1232	L1210-L1215 HydrophobicContact CB-CD1 3.81Å; L1210-L1215 HydrophobicContact CD1-CD1 4.3Å; L1210-L1215 HydrophobicContact CD2-CD1 4.49Å; L1210-L1215 HydrophobicContact CG-CD1 4.42Å; P1211-L1215 HydrophobicContact CG-CD1 4.17Å; P1211-L1215 HydrophobicContact CG-CD2 4.42Å; P1211-L1215 HydrophobicContact CG-CG 4.12Å; P1211-L1215 PolarHBondContact O-N 3.35Å; I1212-L1215 PolarHBondContact O-N 2.8Å; I1212-L1215 VanDerWaalsContact O-N 3.12Å; L1215-I1220 HydrophobicContact CB-CD1 4.22Å; L1215-I1220 HydrophobicContact CB-CG1 3.83Å; L1215-I1220 WeakPolarHBondContact O-CD1 3.43Å; L1215-F1225 HydrophobicContact CD1-CE1 3.92Å; L1215-F1225 HydrophobicContact CD1-CZ 4.26Å; L1215-F1225 HydrophobicContact CD2-CD1 4.49Å; L1215-F1225 HydrophobicContact CD2-CE1 3.89Å; L1215-T1229 HydrophobicContact CD2-CG2 3.83Å; L1215-W1232 PolarHBondContact O-NE1 2.87Å
1216	P	97	Very high	87.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.247	C	C	.	.			trans	-77.9	163.6	169.3	35.8	-37.4	0	0	0	111.5	E1218 S1219 I1220 T1229 W1232	P1216-E1218 VanDerWaalsContact C-N 3.34Å; P1216-E1218 WeakPolarHBondContact CB-OE1 3.46Å; P1216-E1218 WeakPolarHBondContact CB-OE2 3.28Å; P1216-E1218 HydrophobicContact CG-CG 4.44Å; P1216-E1218 WeakPolarHBondContact CG-OE1 3.23Å; P1216-E1218 PolarHBondContact O-N 2.86Å; P1216-S1219 PolarHBondContact O-N 3.06Å; P1216-S1219 VanDerWaalsContact O-N 3.08Å; P1216-I1220 WeakPolarHBondContact O-CG1 3.34Å; P1216-I1220 PolarHBondContact O-N 3.49Å; P1216-I1220 VanDerWaalsContact O-N 3.14Å; P1216-T1229 HydrophobicContact CG-CG2 3.98Å; P1216-W1232 HydrophobicContact CB-CB 4.16Å; P1216-W1232 HydrophobicContact CB-CD2 3.51Å; P1216-W1232 HydrophobicContact CB-CE3 3.64Å; P1216-W1232 HydrophobicContact CB-CG 3.75Å; P1216-W1232 HydrophobicContact CB-CZ3 4.2Å; P1216-W1232 HydrophobicContact CG-CB 4.22Å; P1216-W1232 HydrophobicContact CG-CD2 4.46Å; P1216-W1232 HydrophobicContact CG-CG 4.19Å
1217	L	94.9	Very high	89.4	Confident	36 Å²	36	41.9 Å²	41.9	19%	0.188	22%	0.223	C	C	.	.	H	α-helix	trans	-57.9	-40	-177	-74.7	175.9	0	0	0	113.4	S1219 I1220 L1221 I1258 L1261 E1262	L1217-S1219 PolarHBondContact O-N 2.79Å; L1217-I1220 PolarHBondContact O-N 2.84Å; L1217-L1221 HydrophobicContact CB-CD1 4.28Å; L1217-L1221 HydrophobicContact CD2-CD1 4.31Å; L1217-L1221 VanDerWaalsContact O-CB 3.32Å; L1217-L1221 WeakPolarHBondContact O-CB 3.46Å; L1217-L1221 WeakPolarHBondContact O-CG 3.49Å; L1217-L1221 PolarHBondContact O-N 3.01Å; L1217-I1258 HydrophobicContact CD2-CB 4.48Å; L1217-I1258 HydrophobicContact CD2-CG2 4.05Å; L1217-L1261 HydrophobicContact CD1-CB 3.99Å; L1217-L1261 HydrophobicContact CD2-CB 3.95Å; L1217-L1261 HydrophobicContact CD2-CD1 4.33Å; L1217-L1261 HydrophobicContact CG-CB 3.89Å; L1217-L1261 HydrophobicContact CG-CD1 4.41Å; L1217-E1262 HydrophobicContact CD1-CB 4.43Å; L1217-E1262 HydrophobicContact CD1-CG 3.76Å; L1217-E1262 HydrophobicContact CD2-CG 4.35Å
1218	E	94.1	Very high	91.2	Very high	39 Å²	39	34.8 Å²	34.8	18%	0.182	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-28.1	179.5	69.9	-81.4	-173.6	0	0	112.9	P1216 D1222 R1292	P1216-E1218 VanDerWaalsContact C-N 3.34Å; P1216-E1218 WeakPolarHBondContact CB-OE1 3.46Å; P1216-E1218 WeakPolarHBondContact CB-OE2 3.28Å; P1216-E1218 HydrophobicContact CG-CG 4.44Å; P1216-E1218 WeakPolarHBondContact CG-OE1 3.23Å; P1216-E1218 PolarHBondContact O-N 2.86Å; E1218-D1222 WeakPolarHBondContact O-CA 3.37Å; E1218-D1222 VanDerWaalsContact O-CB 3.26Å; E1218-D1222 WeakPolarHBondContact O-CB 3.44Å; E1218-D1222 PolarHBondContact O-N 3.35Å; E1218-D1222 VanDerWaalsContact O-N 3.12Å; E1218-R1292 IonicContact OE1-CZ 3.22Å; E1218-R1292 VanDerWaalsContact OE1-CZ 3.22Å; E1218-R1292 IonicContact OE1-NH1 2.72Å; E1218-R1292 PolarHBondContact OE1-NH1 2.99Å; E1218-R1292 IonicContact OE1-NH2 2.85Å; E1218-R1292 PolarHBondContact OE1-NH2 3.45Å; E1218-R1292 IonicContact OE2-NH2 3.19Å; E1218-R1292 PolarHBondContact OE2-NH2 3.38Å
1219	S	94.3	Very high	92.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-81.8	-34.2	176.1	-60.8	0	0	0	0	112.1	P1216 L1217 G1223 K1224 T1229	P1216-S1219 PolarHBondContact O-N 3.06Å; P1216-S1219 VanDerWaalsContact O-N 3.08Å; L1217-S1219 PolarHBondContact O-N 2.79Å; S1219-G1223 WeakPolarHBondContact O-CA 3.38Å; S1219-G1223 PolarHBondContact O-N 2.73Å; S1219-K1224 VanDerWaalsContact CA-O 3.29Å; S1219-K1224 WeakPolarHBondContact CA-O 3.28Å; S1219-K1224 WeakPolarHBondContact CB-O 3.14Å; S1219-K1224 PolarHBondContact OG-O 3.33Å; S1219-T1229 WeakPolarHBondContact OG-CG2 3.34Å; S1219-T1229 PolarHBondContact OG-OG1 2.05Å
1220	I	92.1	Very high	94	Very high	28 Å²	28	27.5 Å²	27.5	14%	0.144	14%	0.14	C	C	.	.	H	α-helix	trans	-72.1	-47.3	177.6	-62.6	163.2	0	0	0	110.7	I1212 L1215 P1216 L1217 I1258	I1212-I1220 HydrophobicContact CG2-CD1 4.06Å; I1212-I1220 HydrophobicContact CG2-CG1 4.44Å; L1215-I1220 HydrophobicContact CB-CD1 4.22Å; L1215-I1220 HydrophobicContact CB-CG1 3.83Å; L1215-I1220 WeakPolarHBondContact O-CD1 3.43Å; P1216-I1220 WeakPolarHBondContact O-CG1 3.34Å; P1216-I1220 PolarHBondContact O-N 3.49Å; P1216-I1220 VanDerWaalsContact O-N 3.14Å; L1217-I1220 PolarHBondContact O-N 2.84Å; I1220-I1258 HydrophobicContact CG2-CD1 3.95Å; I1220-I1258 HydrophobicContact CG2-CG1 4.16Å
1221	L	90.6	Very high	94.6	Very high	95 Å²	95	25.2 Å²	25.2	50%	0.497	13%	0.128	S	C	.	.	H	α-helix	trans	-85.6	-44	-172.5	-58.8	178.2	0	0	0	112.7	L1217 I1258	L1217-L1221 HydrophobicContact CB-CD1 4.28Å; L1217-L1221 HydrophobicContact CD2-CD1 4.31Å; L1217-L1221 VanDerWaalsContact O-CB 3.32Å; L1217-L1221 WeakPolarHBondContact O-CB 3.46Å; L1217-L1221 WeakPolarHBondContact O-CG 3.49Å; L1217-L1221 PolarHBondContact O-N 3.01Å; L1221-I1258 HydrophobicContact CD2-CG2 4.36Å
1222	D	87.8	Confident	94.9	Very high	90 Å²	90	25 Å²	25	48%	0.481	13%	0.125	S	C	.	.	H	α-helix	trans	-100.6	-8.3	-175.8	-63.6	-12.8	0	0	0	113.9	E1218 K1224	E1218-D1222 WeakPolarHBondContact O-CA 3.37Å; E1218-D1222 VanDerWaalsContact O-CB 3.26Å; E1218-D1222 WeakPolarHBondContact O-CB 3.44Å; E1218-D1222 PolarHBondContact O-N 3.35Å; E1218-D1222 VanDerWaalsContact O-N 3.12Å; D1222-K1224 HydrophobicContact CB-CB 4.44Å; D1222-K1224 HydrophobicContact CB-CD 3.93Å; D1222-K1224 HydrophobicContact CB-CG 3.94Å; D1222-K1224 PolarHBondContact O-N 2.97Å; D1222-K1224 IonicContact OD2-NZ 2.81Å; D1222-K1224 PolarHBondContact OD2-NZ 2.9Å
1223	G	87.9	Confident	95.1	Very high	11 Å²	11	23.3 Å²	23.3	11%	0.113	12%	0.117	C	C	.	.			trans	63.2	24.2	-174.3	0	0	0	0	0	113.9	T1205 S1219 F1225	T1205-G1223 PolarHBondContact N-O 3.36Å; T1205-G1223 VanDerWaalsContact N-O 3.14Å; S1219-G1223 WeakPolarHBondContact O-CA 3.38Å; S1219-G1223 PolarHBondContact O-N 2.73Å; G1223-F1225 WeakPolarHBondContact O-CD2 3.22Å; G1223-F1225 WeakPolarHBondContact O-CE2 3.26Å
1224	K	90.9	Very high	95.2	Very high	78 Å²	78	22.4 Å²	22.4	34%	0.339	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	129.2	179.3	-67.2	173.6	-168.5	145.6	0	110.9	F1202 S1219 D1222	F1202-K1224 HydrophobicContact CD2-CG 4.22Å; S1219-K1224 VanDerWaalsContact CA-O 3.29Å; S1219-K1224 WeakPolarHBondContact CA-O 3.28Å; S1219-K1224 WeakPolarHBondContact CB-O 3.14Å; S1219-K1224 PolarHBondContact OG-O 3.33Å; D1222-K1224 HydrophobicContact CB-CB 4.44Å; D1222-K1224 HydrophobicContact CB-CD 3.93Å; D1222-K1224 HydrophobicContact CB-CG 3.94Å; D1222-K1224 PolarHBondContact O-N 2.97Å; D1222-K1224 IonicContact OD2-NZ 2.81Å; D1222-K1224 PolarHBondContact OD2-NZ 2.9Å
1225	F	94.1	Very high	95.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	131	-179.5	-62.8	-95.5	0	0	0	110.3	V1168 R1170 F1202 I1203 T1205 L1210 L1215 G1223 T1229	V1168-F1225 HydrophobicContact CG1-CB 4.24Å; R1170-F1225 HydrophobicContact CB-CD1 4.07Å; R1170-F1225 HydrophobicContact CB-CE1 4.4Å; R1170-F1225 HydrophobicContact CG-CB 4.09Å; R1170-F1225 HydrophobicContact CG-CD1 3.71Å; R1170-F1225 HydrophobicContact CG-CE1 4.47Å; R1170-F1225 HydrophobicContact CG-CG 4Å; F1202-F1225 CarbonylContact C-O 3.56Å; F1202-F1225 VanDerWaalsContact CA-O 3.31Å; F1202-F1225 WeakPolarHBondContact CA-O 3.22Å; I1203-F1225 HydrophobicContact CB-CB 4.39Å; I1203-F1225 PolarHBondContact N-O 2.85Å; I1203-F1225 PolarHBondContact O-N 3.32Å; T1205-F1225 VanDerWaalsContact OG1-CE2 3.31Å; T1205-F1225 WeakPolarHBondContact OG1-CE2 3.31Å; L1210-F1225 HydrophobicContact CD1-CZ 4.23Å; L1210-F1225 HydrophobicContact CD2-CE1 4.44Å; L1210-F1225 HydrophobicContact CD2-CE2 4.33Å; L1210-F1225 HydrophobicContact CD2-CZ 3.58Å; L1215-F1225 HydrophobicContact CD1-CE1 3.92Å; L1215-F1225 HydrophobicContact CD1-CZ 4.26Å; L1215-F1225 HydrophobicContact CD2-CD1 4.49Å; L1215-F1225 HydrophobicContact CD2-CE1 3.89Å; G1223-F1225 WeakPolarHBondContact O-CD2 3.22Å; G1223-F1225 WeakPolarHBondContact O-CE2 3.26Å; F1225-T1229 HydrophobicContact CD1-CG2 3.87Å; F1225-T1229 HydrophobicContact CE1-CG2 4.47Å
1226	H	94.7	Very high	95.3	Very high	12 Å²	12	21 Å²	21	6%	0.056	11%	0.108	C	C	.	.			trans	-126	169.7	178.6	-60.5	-98.2	0	0	0	109.7	V1168 D1201 F1202 D1228 T1229	V1168-H1226 VanDerWaalsContact CG1-O 3.23Å; V1168-H1226 WeakPolarHBondContact CG1-O 3.36Å; D1201-H1226 PolarHBondContact O-ND1 3.48Å; D1201-H1226 IonicContact OD2-CE1 2.94Å; F1202-H1226 WeakPolarHBondContact CB-CE1 3.08Å; H1226-D1228 HydrophobicContact CB-CB 4.47Å; H1226-D1228 PolarHBondContact O-N 3.39Å; H1226-T1229 PolarHBondContact N-OG1 3.02Å; H1226-T1229 WeakPolarHBondContact O-CA 3.43Å; H1226-T1229 WeakPolarHBondContact O-CB 3.49Å; H1226-T1229 PolarHBondContact O-N 3.39Å; H1226-T1229 PolarHBondContact O-OG1 2.66Å
1227	I	96.5	Very high	95.3	Very high	34 Å²	34	21 Å²	21	17%	0.174	11%	0.108	C	C	.	.	H	α-helix	trans	-55.7	-36.2	166.6	-58.7	-179.9	0	0	0	110.2	V1168 I1196 T1229 D1230 V1231 F1295	V1168-I1227 HydrophobicContact CG2-CG1 4.37Å; I1196-I1227 HydrophobicContact CD1-CD1 3.75Å; I1196-I1227 HydrophobicContact CD1-CG1 3.47Å; I1196-I1227 VanDerWaalsContact CD1-CG1 3.47Å; I1227-T1229 PolarHBondContact O-N 3.16Å; I1227-D1230 WeakPolarHBondContact O-CB 3.1Å; I1227-D1230 PolarHBondContact O-N 2.83Å; I1227-D1230 VanDerWaalsContact O-N 3.08Å; I1227-V1231 PolarHBondContact O-N 3.44Å; I1227-F1295 HydrophobicContact CG2-CD2 4.25Å; I1227-F1295 HydrophobicContact CG2-CE2 4.1Å
1228	D	97.2	Very high	95.5	Very high	7 Å²	7	19.2 Å²	19.2	4%	0.037	10%	0.099	C	C	.	.	H	α-helix	trans	-72.5	-14	178.6	-52.4	-34.3	0	0	0	112.9	H1226 W1232 R1289 R1292 K1294	H1226-D1228 HydrophobicContact CB-CB 4.47Å; H1226-D1228 PolarHBondContact O-N 3.39Å; D1228-W1232 PolarHBondContact O-N 3.28Å; D1228-R1289 HydrophobicContact CB-CB 4.35Å; D1228-R1289 IonicContact OD2-NH1 3.87Å; D1228-R1292 WeakPolarHBondContact O-CD 3.35Å; D1228-R1292 PolarHBondContact O-NH1 3.2Å; D1228-K1294 VanDerWaalsContact CG-NZ 3.35Å; D1228-K1294 IonicContact OD1-NZ 2.7Å; D1228-K1294 PolarHBondContact OD1-NZ 2.83Å; D1228-K1294 IonicContact OD2-NZ 3.31Å; D1228-K1294 PolarHBondContact OD2-NZ 2.93Å
1229	T	97.7	Very high	95.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-68.4	-45.6	166.3	-58.5	0	0	0	0	109.9	L1215 P1216 S1219 F1225 H1226 I1227 V1231 W1232 S1233	L1215-T1229 HydrophobicContact CD2-CG2 3.83Å; P1216-T1229 HydrophobicContact CG-CG2 3.98Å; S1219-T1229 WeakPolarHBondContact OG-CG2 3.34Å; S1219-T1229 PolarHBondContact OG-OG1 2.05Å; F1225-T1229 HydrophobicContact CD1-CG2 3.87Å; F1225-T1229 HydrophobicContact CE1-CG2 4.47Å; H1226-T1229 PolarHBondContact N-OG1 3.02Å; H1226-T1229 WeakPolarHBondContact O-CA 3.43Å; H1226-T1229 WeakPolarHBondContact O-CB 3.49Å; H1226-T1229 PolarHBondContact O-N 3.39Å; H1226-T1229 PolarHBondContact O-OG1 2.66Å; I1227-T1229 PolarHBondContact O-N 3.16Å; T1229-V1231 PolarHBondContact O-N 3.25Å; T1229-W1232 WeakPolarHBondContact O-CB 3.37Å; T1229-W1232 PolarHBondContact O-N 3.42Å; T1229-W1232 VanDerWaalsContact O-N 3.15Å; T1229-S1233 PolarHBondContact O-N 2.79Å; T1229-S1233 VanDerWaalsContact O-N 3.09Å; T1229-S1233 PolarHBondContact O-OG 2.6Å
1230	D	98.5	Very high	95.9	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-66.3	-27.1	176.9	-70.1	-24.9	0	0	0	112	M1159 V1168 H1169 R1170 V1172 I1227 S1233 F1234 F1295	M1159-D1230 HydrophobicContact CE-CB 3.73Å; V1168-D1230 WeakPolarHBondContact CA-OD2 3.44Å; V1168-D1230 WeakPolarHBondContact CG1-OD2 3.45Å; H1169-D1230 PolarHBondContact N-OD2 2.81Å; R1170-D1230 PolarHBondContact N-OD1 3.49Å; V1172-D1230 HydrophobicContact CG2-CB 4.01Å; I1227-D1230 WeakPolarHBondContact O-CB 3.1Å; I1227-D1230 PolarHBondContact O-N 2.83Å; I1227-D1230 VanDerWaalsContact O-N 3.08Å; D1230-S1233 PolarHBondContact O-N 3.35Å; D1230-F1234 VanDerWaalsContact O-CB 3.28Å; D1230-F1234 WeakPolarHBondContact O-CB 3.22Å; D1230-F1234 PolarHBondContact O-N 3Å; D1230-F1295 HydrophobicContact CB-CE2 4.15Å; D1230-F1295 HydrophobicContact CB-CZ 3.9Å
1231	V	98.8	Very high	96.1	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.1	-44.6	171.9	170.4	0	0	0	0	111.2	I1227 T1229 F1234 G1235 C1284 R1292 P1293 F1295 I1298	I1227-V1231 PolarHBondContact O-N 3.44Å; T1229-V1231 PolarHBondContact O-N 3.25Å; V1231-F1234 WeakPolarHBondContact O-CB 3.28Å; V1231-F1234 PolarHBondContact O-N 3.04Å; V1231-G1235 PolarHBondContact O-N 2.91Å; V1231-C1284 HydrophobicContact CG1-CB 4.06Å; V1231-R1292 HydrophobicContact CG1-CB 3.95Å; V1231-P1293 HydrophobicContact CG1-CG 4.46Å; V1231-P1293 WeakPolarHBondContact CG1-O 3.42Å; V1231-P1293 WeakPolarHBondContact CG2-O 3.47Å; V1231-F1295 HydrophobicContact CB-CZ 4.47Å; V1231-F1295 HydrophobicContact CG2-CD2 4.11Å; V1231-F1295 HydrophobicContact CG2-CE1 4.23Å; V1231-F1295 HydrophobicContact CG2-CE2 3.73Å; V1231-F1295 HydrophobicContact CG2-CZ 3.8Å; V1231-I1298 HydrophobicContact CG1-CD1 3.92Å; V1231-I1298 HydrophobicContact CG2-CD1 4.44Å
1232	W	98.7	Very high	96.3	Very high	7 Å²	7	12.8 Å²	12.8	3%	0.027	6%	0.064	C	C	.	.	H	α-helix	trans	-59.7	-49.8	174.4	177.6	-71.8	0	0	0	110.8	W1214 L1215 P1216 D1228 T1229 F1234 G1235 V1236 L1261 W1285	W1214-W1232 VanDerWaalsContact O-CD1 3.27Å; L1215-W1232 PolarHBondContact O-NE1 2.87Å; P1216-W1232 HydrophobicContact CB-CB 4.16Å; P1216-W1232 HydrophobicContact CB-CD2 3.51Å; P1216-W1232 HydrophobicContact CB-CE3 3.64Å; P1216-W1232 HydrophobicContact CB-CG 3.75Å; P1216-W1232 HydrophobicContact CB-CZ3 4.2Å; P1216-W1232 HydrophobicContact CG-CB 4.22Å; P1216-W1232 HydrophobicContact CG-CD2 4.46Å; P1216-W1232 HydrophobicContact CG-CG 4.19Å; D1228-W1232 PolarHBondContact O-N 3.28Å; T1229-W1232 WeakPolarHBondContact O-CB 3.37Å; T1229-W1232 PolarHBondContact O-N 3.42Å; T1229-W1232 VanDerWaalsContact O-N 3.15Å; W1232-F1234 VanDerWaalsContact C-N 3.26Å; W1232-F1234 PolarHBondContact O-N 2.84Å; W1232-G1235 WeakPolarHBondContact O-CA 3.05Å; W1232-G1235 PolarHBondContact O-N 3.41Å; W1232-V1236 PolarHBondContact O-N 3.21Å; W1232-V1236 VanDerWaalsContact O-N 3.14Å; W1232-L1261 HydrophobicContact CH2-CD2 4.07Å; W1232-L1261 HydrophobicContact CZ2-CD1 4.03Å; W1232-L1261 HydrophobicContact CZ2-CD2 3.8Å; W1232-W1285 HydrophobicContact CD2-CB 4.38Å; W1232-W1285 AromaticContact CD2-CD1 3.61Å; W1232-W1285 HydrophobicContact CD2-CG 4.35Å; W1232-W1285 AromaticContact CE2-CD1 3.73Å; W1232-W1285 VanDerWaalsContact CE3-CA 3.49Å; W1232-W1285 HydrophobicContact CE3-CB 4.04Å; W1232-W1285 HydrophobicContact CE3-CG 4.48Å; W1232-W1285 AromaticContact CG-CD1 3.82Å; W1232-W1285 HydrophobicContact CH2-CB 4.13Å; W1232-W1285 HydrophobicContact CZ2-CB 4.45Å; W1232-W1285 HydrophobicContact CZ3-CB 3.92Å; W1232-W1285 VanDerWaalsContact CZ3-O 3.25Å; W1232-W1285 WeakPolarHBondContact CZ3-O 3.41Å; W1232-W1285 AromaticContact NE1-CD1 3.95Å; W1232-W1285 PolarHBondContact O-NE1 2.95Å
1233	S	98.8	Very high	96.5	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.007	5%	0.047	C	C	.	.	H	α-helix	trans	-59.4	-36.8	177.6	-51.4	0	0	0	0	112.1	V1172 W1214 T1229 D1230 G1235 V1236 L1237	V1172-S1233 WeakPolarHBondContact O-CB 3.25Å; W1214-S1233 VanDerWaalsContact O-CA 3.3Å; W1214-S1233 WeakPolarHBondContact O-CA 3.44Å; W1214-S1233 WeakPolarHBondContact O-CB 3.4Å; W1214-S1233 PolarHBondContact O-OG 3.19Å; T1229-S1233 PolarHBondContact O-N 2.79Å; T1229-S1233 VanDerWaalsContact O-N 3.09Å; T1229-S1233 PolarHBondContact O-OG 2.6Å; D1230-S1233 PolarHBondContact O-N 3.35Å; S1233-G1235 VanDerWaalsContact C-N 3.33Å; S1233-G1235 PolarHBondContact O-N 3.37Å; S1233-V1236 WeakPolarHBondContact O-CB 3.34Å; S1233-V1236 PolarHBondContact O-N 3.4Å; S1233-V1236 VanDerWaalsContact O-N 3.13Å; S1233-L1237 PolarHBondContact O-N 2.88Å
1234	F	98.8	Very high	96.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65.2	-35.8	173.6	-168.9	-90.7	0	0	0	112.1	V1152 A1155 C1156 M1159 V1172 D1230 V1231 W1232 V1236 L1237 L1238 F1295 I1298 L1302	V1152-F1234 HydrophobicContact CG1-CZ 4.23Å; A1155-F1234 HydrophobicContact CB-CE2 4.21Å; C1156-F1234 HydrophobicContact CB-CE1 4.47Å; C1156-F1234 HydrophobicContact CB-CE2 4.16Å; C1156-F1234 HydrophobicContact CB-CZ 3.66Å; M1159-F1234 HydrophobicContact CG-CD2 4.08Å; M1159-F1234 HydrophobicContact CG-CE2 4.41Å; V1172-F1234 HydrophobicContact CG1-CB 4.38Å; V1172-F1234 HydrophobicContact CG1-CD2 4.33Å; D1230-F1234 VanDerWaalsContact O-CB 3.28Å; D1230-F1234 WeakPolarHBondContact O-CB 3.22Å; D1230-F1234 PolarHBondContact O-N 3Å; V1231-F1234 WeakPolarHBondContact O-CB 3.28Å; V1231-F1234 PolarHBondContact O-N 3.04Å; W1232-F1234 VanDerWaalsContact C-N 3.26Å; W1232-F1234 PolarHBondContact O-N 2.84Å; F1234-V1236 VanDerWaalsContact C-N 3.31Å; F1234-V1236 PolarHBondContact O-N 2.89Å; F1234-L1237 HydrophobicContact CE2-CD2 4.27Å; F1234-L1237 WeakPolarHBondContact O-CB 3.39Å; F1234-L1237 PolarHBondContact O-N 2.9Å; F1234-L1238 HydrophobicContact CD1-CD1 4.19Å; F1234-L1238 HydrophobicContact CD1-CG 4.07Å; F1234-L1238 HydrophobicContact CE1-CD1 4.06Å; F1234-L1238 HydrophobicContact CE1-CD2 3.84Å; F1234-L1238 HydrophobicContact CE1-CG 3.86Å; F1234-L1238 HydrophobicContact CZ-CD2 4.32Å; F1234-L1238 WeakPolarHBondContact O-CG 3.44Å; F1234-L1238 PolarHBondContact O-N 2.68Å; F1234-F1295 HydrophobicContact CB-CE1 3.8Å; F1234-F1295 HydrophobicContact CB-CZ 4.38Å; F1234-F1295 HydrophobicContact CD2-CE1 4.05Å; F1234-F1295 AromaticContact CG-CE1 3.86Å; F1234-F1295 HydrophobicContact CG-CE1 3.86Å; F1234-I1298 HydrophobicContact CD1-CD1 4.47Å; F1234-I1298 HydrophobicContact CD1-CG2 4Å; F1234-I1298 HydrophobicContact CE1-CG2 3.62Å; F1234-L1302 HydrophobicContact CE1-CD1 4.25Å; F1234-L1302 HydrophobicContact CZ-CD1 4.32Å
1235	G	98.6	Very high	96.8	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-58.5	-42.3	169.4	0	0	0	0	0	112.3	V1231 W1232 S1233 L1238 W1239 W1285	V1231-G1235 PolarHBondContact O-N 2.91Å; W1232-G1235 WeakPolarHBondContact O-CA 3.05Å; W1232-G1235 PolarHBondContact O-N 3.41Å; S1233-G1235 VanDerWaalsContact C-N 3.33Å; S1233-G1235 PolarHBondContact O-N 3.37Å; G1235-L1238 WeakPolarHBondContact O-CB 3.5Å; G1235-L1238 PolarHBondContact O-N 3.29Å; G1235-W1239 PolarHBondContact O-N 2.89Å; G1235-W1239 VanDerWaalsContact O-N 3.12Å; G1235-W1285 WeakPolarHBondContact O-CZ2 3.33Å
1236	V	98.7	Very high	96.7	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.006	5%	0.045	C	C	.	.	H	α-helix	trans	-66	-40.1	174.3	-174.7	0	0	0	0	111.3	W1214 W1232 S1233 F1234 L1238 W1239 E1240 P1248 L1267 W1285	W1214-V1236 VanDerWaalsContact CD1-CG1 3.44Å; W1214-V1236 HydrophobicContact CG-CB 4.45Å; W1214-V1236 HydrophobicContact CG-CG1 4.03Å; W1232-V1236 PolarHBondContact O-N 3.21Å; W1232-V1236 VanDerWaalsContact O-N 3.14Å; S1233-V1236 WeakPolarHBondContact O-CB 3.34Å; S1233-V1236 PolarHBondContact O-N 3.4Å; S1233-V1236 VanDerWaalsContact O-N 3.13Å; F1234-V1236 VanDerWaalsContact C-N 3.31Å; F1234-V1236 PolarHBondContact O-N 2.89Å; V1236-L1238 VanDerWaalsContact C-N 3.35Å; V1236-L1238 PolarHBondContact O-N 3.06Å; V1236-W1239 WeakPolarHBondContact O-CA 3.35Å; V1236-W1239 WeakPolarHBondContact O-CB 3.32Å; V1236-W1239 PolarHBondContact O-N 3.47Å; V1236-W1239 VanDerWaalsContact O-N 3.11Å; V1236-E1240 WeakPolarHBondContact O-CG 3.45Å; V1236-E1240 PolarHBondContact O-N 2.93Å; V1236-P1248 HydrophobicContact CG1-CB 3.9Å; V1236-P1248 HydrophobicContact CG1-CG 3.48Å; V1236-P1248 VanDerWaalsContact CG1-CG 3.48Å; V1236-L1267 HydrophobicContact CG1-CD1 4.4Å; V1236-W1285 HydrophobicContact CG2-CZ2 4.16Å
1237	L	98.5	Very high	96.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-58.7	-44.3	173.2	178.2	153	0	0	0	112	V1172 T1174 F1177 S1233 F1234 W1239 E1240 V1241	V1172-L1237 HydrophobicContact CG1-CD1 4.02Å; T1174-L1237 HydrophobicContact CG2-CG 4.33Å; F1177-L1237 HydrophobicContact CD2-CD1 3.49Å; F1177-L1237 VanDerWaalsContact CD2-CD1 3.49Å; F1177-L1237 HydrophobicContact CE2-CD1 3.2Å; F1177-L1237 HydrophobicContact CZ-CD1 4.09Å; S1233-L1237 PolarHBondContact O-N 2.88Å; F1234-L1237 HydrophobicContact CE2-CD2 4.27Å; F1234-L1237 WeakPolarHBondContact O-CB 3.39Å; F1234-L1237 PolarHBondContact O-N 2.9Å; L1237-W1239 VanDerWaalsContact C-N 3.28Å; L1237-W1239 PolarHBondContact O-N 3.34Å; L1237-E1240 PolarHBondContact O-N 3.36Å; L1237-V1241 HydrophobicContact CD2-CG2 4.05Å; L1237-V1241 VanDerWaalsContact O-CG2 3.28Å; L1237-V1241 WeakPolarHBondContact O-CG2 3.35Å; L1237-V1241 PolarHBondContact O-N 3.19Å
1238	L	98.3	Very high	96.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-57.5	-45.4	174.7	-67.8	177.5	0	0	0	110.4	V1152 F1234 G1235 V1236 V1241 F1242 L1280 M1281 L1302	V1152-L1238 HydrophobicContact CB-CD2 4.3Å; V1152-L1238 HydrophobicContact CG1-CD2 3.16Å; V1152-L1238 HydrophobicContact CG2-CD2 4.14Å; F1234-L1238 HydrophobicContact CD1-CD1 4.19Å; F1234-L1238 HydrophobicContact CD1-CG 4.07Å; F1234-L1238 HydrophobicContact CE1-CD1 4.06Å; F1234-L1238 HydrophobicContact CE1-CD2 3.84Å; F1234-L1238 HydrophobicContact CE1-CG 3.86Å; F1234-L1238 HydrophobicContact CZ-CD2 4.32Å; F1234-L1238 WeakPolarHBondContact O-CG 3.44Å; F1234-L1238 PolarHBondContact O-N 2.68Å; G1235-L1238 WeakPolarHBondContact O-CB 3.5Å; G1235-L1238 PolarHBondContact O-N 3.29Å; V1236-L1238 VanDerWaalsContact C-N 3.35Å; V1236-L1238 PolarHBondContact O-N 3.06Å; L1238-V1241 PolarHBondContact O-N 3.44Å; L1238-F1242 VanDerWaalsContact O-CD2 3.29Å; L1238-F1242 WeakPolarHBondContact O-CD2 3.42Å; L1238-F1242 PolarHBondContact O-N 2.98Å; L1238-F1242 VanDerWaalsContact O-N 3.09Å; L1238-L1280 HydrophobicContact CD1-CD2 4.43Å; L1238-L1280 HydrophobicContact CD1-CG 4.47Å; L1238-M1281 HydrophobicContact CB-CE 3.81Å; L1238-M1281 HydrophobicContact CB-CG 3.8Å; L1238-M1281 HydrophobicContact CB-SD 4.26Å; L1238-M1281 HydrophobicContact CD1-CG 4.03Å; L1238-L1302 HydrophobicContact CD2-CD2 4.35Å
1239	W	98.1	Very high	96.4	Very high	18 Å²	18	10.7 Å²	10.7	7%	0.068	5%	0.052	C	C	.	.	H	α-helix	trans	-61.4	-45	177.4	-173.3	93.2	0	0	0	112.4	G1235 V1236 L1237 V1241 F1242 S1243 V1246 P1248 L1267 T1268 P1270 M1281 W1285	G1235-W1239 PolarHBondContact O-N 2.89Å; G1235-W1239 VanDerWaalsContact O-N 3.12Å; V1236-W1239 WeakPolarHBondContact O-CA 3.35Å; V1236-W1239 WeakPolarHBondContact O-CB 3.32Å; V1236-W1239 PolarHBondContact O-N 3.47Å; V1236-W1239 VanDerWaalsContact O-N 3.11Å; L1237-W1239 VanDerWaalsContact C-N 3.28Å; L1237-W1239 PolarHBondContact O-N 3.34Å; W1239-V1241 PolarHBondContact O-N 2.92Å; W1239-F1242 PolarHBondContact O-N 3.11Å; W1239-S1243 VanDerWaalsContact O-CB 3.26Å; W1239-S1243 WeakPolarHBondContact O-CB 3.25Å; W1239-S1243 PolarHBondContact O-N 3.4Å; W1239-S1243 PolarHBondContact O-OG 3.18Å; W1239-V1246 HydrophobicContact CH2-CB 4.31Å; W1239-V1246 HydrophobicContact CH2-CG1 3.93Å; W1239-V1246 HydrophobicContact CZ3-CB 4.41Å; W1239-V1246 HydrophobicContact CZ3-CG1 4.37Å; W1239-V1246 WeakPolarHBondContact CZ3-O 3.4Å; W1239-P1248 HydrophobicContact CE3-CB 4.42Å; W1239-P1248 HydrophobicContact CE3-CG 4.3Å; W1239-P1248 HydrophobicContact CZ3-CB 4.29Å; W1239-P1248 HydrophobicContact CZ3-CG 4.27Å; W1239-L1267 HydrophobicContact CB-CD1 4.26Å; W1239-L1267 HydrophobicContact CD2-CB 4.42Å; W1239-L1267 HydrophobicContact CD2-CD1 3.88Å; W1239-L1267 HydrophobicContact CE3-CD1 4.24Å; W1239-L1267 HydrophobicContact CG-CB 4.2Å; W1239-L1267 HydrophobicContact CG-CD1 3.86Å; W1239-L1267 HydrophobicContact CZ2-CD2 4.24Å; W1239-T1268 PolarHBondContact NE1-O 3.35Å; W1239-P1270 HydrophobicContact CD2-CG 4.46Å; W1239-P1270 HydrophobicContact CG-CG 4.14Å; W1239-M1281 HydrophobicContact CB-SD 3.93Å; W1239-W1285 HydrophobicContact CB-CH2 3.94Å; W1239-W1285 HydrophobicContact CB-CZ2 4.08Å; W1239-W1285 HydrophobicContact CG-CH2 4.26Å
1240	E	97.6	Very high	95.9	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-57.9	-46.9	175.2	-71.3	-177.2	94.9	0	0	111	T1174 W1214 V1236 L1237 F1242 S1243 Y1244 A1245 P1248	T1174-E1240 HydrophobicContact CG2-CB 3.53Å; T1174-E1240 HydrophobicContact CG2-CG 4.36Å; T1174-E1240 PolarHBondContact N-OE2 3.47Å; T1174-E1240 VanDerWaalsContact N-OE2 3.1Å; T1174-E1240 PolarHBondContact OG1-OE1 2.87Å; W1214-E1240 VanDerWaalsContact NE1-CD 3.27Å; W1214-E1240 PolarHBondContact NE1-OE2 3.35Å; V1236-E1240 WeakPolarHBondContact O-CG 3.45Å; V1236-E1240 PolarHBondContact O-N 2.93Å; L1237-E1240 PolarHBondContact O-N 3.36Å; E1240-F1242 PolarHBondContact O-N 3.45Å; E1240-S1243 CarbonylContact O-C 3.6Å; E1240-S1243 PolarHBondContact O-N 3.09Å; E1240-Y1244 PolarHBondContact O-N 3.4Å; E1240-Y1244 VanDerWaalsContact O-N 3.14Å; E1240-A1245 WeakPolarHBondContact O-CA 3.42Å; E1240-A1245 PolarHBondContact O-N 3Å; E1240-P1248 HydrophobicContact CG-CG 3.93Å
1241	V	96.3	Very high	95.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.3	-48.5	-178.6	173.9	0	0	0	0	111.6	F1091 L1095 L1148 V1152 T1174 L1237 L1238 W1239 S1243 Y1244	F1091-V1241 HydrophobicContact CD1-CG2 4.22Å; F1091-V1241 HydrophobicContact CE1-CG1 4.47Å; F1091-V1241 HydrophobicContact CE1-CG2 3.39Å; F1091-V1241 HydrophobicContact CZ-CG1 4.08Å; F1091-V1241 HydrophobicContact CZ-CG2 3.81Å; L1095-V1241 HydrophobicContact CD1-CB 4.39Å; L1095-V1241 HydrophobicContact CD1-CG2 4.11Å; L1148-V1241 HydrophobicContact CB-CG1 4.12Å; L1148-V1241 HydrophobicContact CD2-CG1 3.97Å; L1148-V1241 HydrophobicContact CG-CG1 4.43Å; V1152-V1241 HydrophobicContact CG2-CB 4.15Å; V1152-V1241 HydrophobicContact CG2-CG1 3.79Å; V1152-V1241 HydrophobicContact CG2-CG2 4.03Å; T1174-V1241 HydrophobicContact CG2-CG2 3.94Å; L1237-V1241 HydrophobicContact CD2-CG2 4.05Å; L1237-V1241 VanDerWaalsContact O-CG2 3.28Å; L1237-V1241 WeakPolarHBondContact O-CG2 3.35Å; L1237-V1241 PolarHBondContact O-N 3.19Å; L1238-V1241 PolarHBondContact O-N 3.44Å; W1239-V1241 PolarHBondContact O-N 2.92Å; V1241-S1243 PolarHBondContact O-N 2.96Å; V1241-Y1244 PolarHBondContact O-N 2.91Å
1242	F	94.9	Very high	94.9	Very high	8 Å²	8	24.3 Å²	24.3	4%	0.035	13%	0.127	C	C	.	.	H	α-helix	trans	-77.6	-8.7	-179.8	-75	-77.9	0	0	0	113.9	V1145 L1148 L1238 W1239 E1240 P1270 C1273 V1277 M1281	V1145-F1242 HydrophobicContact CG1-CE1 4.03Å; L1148-F1242 HydrophobicContact CB-CE1 4.3Å; L1148-F1242 HydrophobicContact CB-CZ 4.41Å; L1148-F1242 HydrophobicContact CD1-CD1 4.26Å; L1148-F1242 HydrophobicContact CD1-CE1 4.32Å; L1238-F1242 VanDerWaalsContact O-CD2 3.29Å; L1238-F1242 WeakPolarHBondContact O-CD2 3.42Å; L1238-F1242 PolarHBondContact O-N 2.98Å; L1238-F1242 VanDerWaalsContact O-N 3.09Å; W1239-F1242 PolarHBondContact O-N 3.11Å; E1240-F1242 PolarHBondContact O-N 3.45Å; F1242-P1270 HydrophobicContact CB-CB 4.34Å; F1242-P1270 HydrophobicContact CB-CG 4.25Å; F1242-P1270 WeakPolarHBondContact O-CB 3.38Å; F1242-C1273 HydrophobicContact CB-CB 3.89Å; F1242-C1273 HydrophobicContact CD1-CB 4.31Å; F1242-C1273 HydrophobicContact CG-CB 4.18Å; F1242-V1277 HydrophobicContact CD2-CG1 3.95Å; F1242-V1277 HydrophobicContact CE2-CB 4.43Å; F1242-V1277 HydrophobicContact CE2-CG1 3.54Å; F1242-V1277 HydrophobicContact CE2-CG2 4.38Å; F1242-V1277 HydrophobicContact CZ-CG1 4.18Å; F1242-V1277 HydrophobicContact CZ-CG2 4.2Å; F1242-M1281 HydrophobicContact CB-CE 4.42Å; F1242-M1281 HydrophobicContact CD2-CE 3.94Å
1243	S	93.1	Very high	94.6	Very high	15 Å²	15	26.2 Å²	26.2	11%	0.105	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	14	170.4	-47.8	0	0	0	0	112.3	W1239 E1240 V1241 A1245 V1246 P1270	W1239-S1243 VanDerWaalsContact O-CB 3.26Å; W1239-S1243 WeakPolarHBondContact O-CB 3.25Å; W1239-S1243 PolarHBondContact O-N 3.4Å; W1239-S1243 PolarHBondContact O-OG 3.18Å; E1240-S1243 CarbonylContact O-C 3.6Å; E1240-S1243 PolarHBondContact O-N 3.09Å; V1241-S1243 PolarHBondContact O-N 2.96Å; S1243-A1245 VanDerWaalsContact C-N 3.28Å; S1243-A1245 PolarHBondContact O-N 3.45Å; S1243-V1246 WeakPolarHBondContact O-CG2 3.49Å; S1243-V1246 PolarHBondContact O-N 3.38Å; S1243-V1246 VanDerWaalsContact O-N 3.16Å; S1243-P1270 VanDerWaalsContact OG-CB 3.32Å; S1243-P1270 WeakPolarHBondContact OG-CB 3.47Å; S1243-P1270 WeakPolarHBondContact OG-CG 3.44Å
1244	Y	92.5	Very high	94.2	Very high	33 Å²	33	30.7 Å²	30.7	13%	0.129	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	47.2	-176.9	-67.4	-91.4	0	0	0	113.3	R1096 L1143 E1240 V1241 V1246	R1096-Y1244 WeakPolarHBondContact CD-O 3.42Å; R1096-Y1244 PolarHBondContact NH1-O 3.13Å; L1143-Y1244 HydrophobicContact CB-CE1 4.4Å; L1143-Y1244 HydrophobicContact CD1-CE1 4.49Å; L1143-Y1244 PolarHBondContact O-OH 2.64Å; E1240-Y1244 PolarHBondContact O-N 3.4Å; E1240-Y1244 VanDerWaalsContact O-N 3.14Å; V1241-Y1244 PolarHBondContact O-N 2.91Å; Y1244-V1246 VanDerWaalsContact C-N 3.28Å; Y1244-V1246 PolarHBondContact O-N 3.43Å
1245	A	92.8	Very high	93.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	30.8	178.2	0	0	0	0	0	114.7	Y1092 L1095 R1096 E1240 S1243	Y1092-A1245 HydrophobicContact CD2-CB 3.6Å; Y1092-A1245 HydrophobicContact CE2-CB 3.82Å; Y1092-A1245 WeakPolarHBondContact CE2-O 3.24Å; Y1092-A1245 HydrophobicContact CG-CB 4.14Å; L1095-A1245 HydrophobicContact CB-CB 3.81Å; L1095-A1245 HydrophobicContact CD1-CB 4.21Å; R1096-A1245 WeakPolarHBondContact CD-O 3.27Å; R1096-A1245 HydrophobicContact CG-CB 3.97Å; E1240-A1245 WeakPolarHBondContact O-CA 3.42Å; E1240-A1245 PolarHBondContact O-N 3Å; S1243-A1245 VanDerWaalsContact C-N 3.28Å; S1243-A1245 PolarHBondContact O-N 3.45Å
1246	V	91.9	Very high	93.7	Very high	47 Å²	47	39.3 Å²	39.3	29%	0.285	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-58	142.7	159.4	172.1	0	0	0	0	109	W1239 S1243 Y1244 T1250	W1239-V1246 HydrophobicContact CH2-CB 4.31Å; W1239-V1246 HydrophobicContact CH2-CG1 3.93Å; W1239-V1246 HydrophobicContact CZ3-CB 4.41Å; W1239-V1246 HydrophobicContact CZ3-CG1 4.37Å; W1239-V1246 WeakPolarHBondContact CZ3-O 3.4Å; S1243-V1246 WeakPolarHBondContact O-CG2 3.49Å; S1243-V1246 PolarHBondContact O-N 3.38Å; S1243-V1246 VanDerWaalsContact O-N 3.16Å; Y1244-V1246 VanDerWaalsContact C-N 3.28Å; Y1244-V1246 PolarHBondContact O-N 3.43Å; V1246-T1250 HydrophobicContact CG1-CG2 3.72Å
1247	E	92.1	Very high	93.4	Very high	73 Å²	73	39.2 Å²	39.2	34%	0.341	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-67.9	132.7	179.8	-173.4	-176.4	-169.7	0	0	110.9	K1213 T1250	K1213-E1247 HydrophobicContact CD-CG 4.31Å; K1213-E1247 IonicContact NZ-OE1 3.9Å; K1213-E1247 PolarHBondContact NZ-OE1 3.43Å; K1213-E1247 IonicContact NZ-OE2 2.68Å; E1247-T1250 HydrophobicContact CB-CG2 4.19Å; E1247-T1250 WeakPolarHBondContact O-CG2 3.23Å
1248	P	95.9	Very high	93.2	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	141.3	176.4	-21.7	32.5	0	0	0	112.1	K1213 W1214 V1236 W1239 E1240 T1250 L1267	K1213-P1248 HydrophobicContact CB-CB 4.37Å; K1213-P1248 VanDerWaalsContact CD-O 3.3Å; K1213-P1248 WeakPolarHBondContact CD-O 3.31Å; K1213-P1248 PolarHBondContact NZ-O 3.29Å; W1214-P1248 HydrophobicContact CZ2-CG 3.96Å; V1236-P1248 HydrophobicContact CG1-CB 3.9Å; V1236-P1248 HydrophobicContact CG1-CG 3.48Å; V1236-P1248 VanDerWaalsContact CG1-CG 3.48Å; W1239-P1248 HydrophobicContact CE3-CB 4.42Å; W1239-P1248 HydrophobicContact CE3-CG 4.3Å; W1239-P1248 HydrophobicContact CZ3-CB 4.29Å; W1239-P1248 HydrophobicContact CZ3-CG 4.27Å; E1240-P1248 HydrophobicContact CG-CG 3.93Å; P1248-T1250 VanDerWaalsContact C-N 3.28Å; P1248-T1250 PolarHBondContact O-N 3.37Å; P1248-L1267 HydrophobicContact CB-CD1 4.14Å; P1248-L1267 HydrophobicContact CB-CD2 4.44Å
1249	F	94.3	Very high	93.1	Very high	19 Å²	19	46.9 Å²	46.9	8%	0.083	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	47.5	-179.2	-51.4	-78.2	0	0	0	112.1	K1213 D1251 L1252 I1257 L1260 L1261 L1267	K1213-F1249 HydrophobicContact CB-CD2 4.39Å; F1249-D1251 PolarHBondContact O-N 3.33Å; F1249-L1252 HydrophobicContact CB-CB 4.31Å; F1249-L1252 HydrophobicContact CB-CD1 4.25Å; F1249-L1252 HydrophobicContact CD1-CD1 4.37Å; F1249-L1252 PolarHBondContact O-N 2.72Å; F1249-I1257 HydrophobicContact CB-CD1 3.71Å; F1249-I1257 HydrophobicContact CB-CG1 3.8Å; F1249-I1257 HydrophobicContact CD1-CG1 4.46Å; F1249-I1257 HydrophobicContact CD2-CD1 4.19Å; F1249-I1257 HydrophobicContact CD2-CG1 4.37Å; F1249-I1257 HydrophobicContact CD2-CG2 4.17Å; F1249-I1257 HydrophobicContact CE2-CG2 4.22Å; F1249-I1257 HydrophobicContact CG-CD1 4.1Å; F1249-I1257 HydrophobicContact CG-CG1 3.98Å; F1249-I1257 HydrophobicContact CG-CG2 4.38Å; F1249-I1257 HydrophobicContact CZ-CG2 4.47Å; F1249-L1260 HydrophobicContact CE1-CD2 4.12Å; F1249-L1261 HydrophobicContact CZ-CD2 4.19Å; F1249-L1267 HydrophobicContact CD1-CD2 3.57Å; F1249-L1267 HydrophobicContact CD1-CG 4.23Å; F1249-L1267 HydrophobicContact CD2-CD2 4.03Å; F1249-L1267 HydrophobicContact CE1-CD2 3.59Å; F1249-L1267 HydrophobicContact CE1-CG 3.72Å; F1249-L1267 HydrophobicContact CE2-CD1 4.14Å; F1249-L1267 HydrophobicContact CE2-CD2 4.05Å; F1249-L1267 HydrophobicContact CE2-CG 4.02Å; F1249-L1267 HydrophobicContact CG-CD2 3.8Å; F1249-L1267 HydrophobicContact CZ-CD1 4.14Å; F1249-L1267 HydrophobicContact CZ-CD2 3.85Å; F1249-L1267 HydrophobicContact CZ-CG 3.61Å
1250	T	87.2	Confident	92.9	Very high	65 Å²	65	47.9 Å²	47.9	40%	0.399	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	137.7	174.5	48.7	0	0	0	0	110.5	V1246 E1247 P1248 L1252	V1246-T1250 HydrophobicContact CG1-CG2 3.72Å; E1247-T1250 HydrophobicContact CB-CG2 4.19Å; E1247-T1250 WeakPolarHBondContact O-CG2 3.23Å; P1248-T1250 VanDerWaalsContact C-N 3.28Å; P1248-T1250 PolarHBondContact O-N 3.37Å; T1250-L1252 PolarHBondContact O-N 3.38Å; T1250-L1252 VanDerWaalsContact O-N 3.14Å
1251	D	86.3	Confident	92.8	Very high	160 Å²	160	48.1 Å²	48.1	86%	0.856	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	3.9	176.4	-46.1	-49.7	0	0	0	116.6	F1249	F1249-D1251 PolarHBondContact O-N 3.33Å
1252	L	90.1	Very high	92.7	Very high	62 Å²	62	53.9 Å²	53.9	33%	0.325	28%	0.277	S	S	.	.			trans	-99.5	136.4	173.7	-58.5	-175	0	0	0	112	F1249 T1250 E1256 I1257 L1260	F1249-L1252 HydrophobicContact CB-CB 4.31Å; F1249-L1252 HydrophobicContact CB-CD1 4.25Å; F1249-L1252 HydrophobicContact CD1-CD1 4.37Å; F1249-L1252 PolarHBondContact O-N 2.72Å; T1250-L1252 PolarHBondContact O-N 3.38Å; T1250-L1252 VanDerWaalsContact O-N 3.14Å; L1252-E1256 HydrophobicContact CB-CB 4.35Å; L1252-I1257 HydrophobicContact CB-CD1 4.41Å; L1252-I1257 HydrophobicContact CB-CG1 3.87Å; L1252-L1260 HydrophobicContact CD1-CD1 3.8Å
1253	S	90.8	Very high	92.6	Very high	48 Å²	48	60.5 Å²	60.5	34%	0.336	31%	0.308	S	S	.	.			trans	-70.6	157.3	168.9	65.2	0	0	0	0	111.6	T1255 E1256 I1257	S1253-T1255 PolarHBondContact O-N 3.46Å; S1253-T1255 PolarHBondContact OG-OG1 3.29Å; S1253-E1256 WeakPolarHBondContact CB-OE2 3.42Å; S1253-E1256 PolarHBondContact N-OE2 3.15Å; S1253-E1256 PolarHBondContact O-N 3.48Å; S1253-E1256 VanDerWaalsContact OG-CG 3.24Å; S1253-E1256 WeakPolarHBondContact OG-CG 3.44Å; S1253-E1256 PolarHBondContact OG-N 2.93Å; S1253-E1256 PolarHBondContact OG-OE2 3.27Å; S1253-I1257 WeakPolarHBondContact O-CG1 3.09Å; S1253-I1257 PolarHBondContact O-N 2.84Å
1254	H	90.6	Very high	92.6	Very high	94 Å²	94	61.9 Å²	61.9	44%	0.435	33%	0.326	S	S	.	.	H	α-helix	trans	-55.5	-35.6	176.3	-63.1	150.7	0	0	0	113	I1212 I1257 I1258	I1212-H1254 HydrophobicContact CD1-CB 4.09Å; I1212-H1254 WeakPolarHBondContact CD1-ND1 3.46Å; I1212-H1254 HydrophobicContact CG2-CB 4.18Å; H1254-I1257 PolarHBondContact O-N 3.45Å; H1254-I1258 VanDerWaalsContact O-CG1 3.32Å; H1254-I1258 WeakPolarHBondContact O-CG1 3.34Å; H1254-I1258 PolarHBondContact O-N 3.43Å; H1254-I1258 VanDerWaalsContact O-N 3.08Å
1255	T	92.8	Very high	92.6	Very high	87 Å²	87	64.5 Å²	64.5	53%	0.534	34%	0.342	S	S	.	.	H	α-helix	trans	-67.6	-36.5	176.3	43.9	0	0	0	0	113.2	S1253 K1259	S1253-T1255 PolarHBondContact O-N 3.46Å; S1253-T1255 PolarHBondContact OG-OG1 3.29Å; T1255-K1259 WeakPolarHBondContact O-CG 3.34Å; T1255-K1259 PolarHBondContact O-N 2.93Å
1256	E	93.9	Very high	92.8	Very high	94 Å²	94	66.8 Å²	66.8	44%	0.439	35%	0.35	S	S	.	.	H	α-helix	trans	-72	-38.1	176	-72	161.9	143.7	0	0	111.2	L1252 S1253 I1258 K1259 L1260	L1252-E1256 HydrophobicContact CB-CB 4.35Å; S1253-E1256 WeakPolarHBondContact CB-OE2 3.42Å; S1253-E1256 PolarHBondContact N-OE2 3.15Å; S1253-E1256 PolarHBondContact O-N 3.48Å; S1253-E1256 VanDerWaalsContact OG-CG 3.24Å; S1253-E1256 WeakPolarHBondContact OG-CG 3.44Å; S1253-E1256 PolarHBondContact OG-N 2.93Å; S1253-E1256 PolarHBondContact OG-OE2 3.27Å; E1256-I1258 PolarHBondContact O-N 3.44Å; E1256-K1259 PolarHBondContact O-N 3.27Å; E1256-L1260 WeakPolarHBondContact O-CB 3.32Å; E1256-L1260 PolarHBondContact O-N 3Å
1257	I	93.7	Very high	93	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60.6	-46	175.1	-64.3	167.9	0	0	0	110.6	K1213 F1249 L1252 S1253 H1254 K1259 L1260 L1261	K1213-I1257 HydrophobicContact CG-CD1 3.75Å; F1249-I1257 HydrophobicContact CB-CD1 3.71Å; F1249-I1257 HydrophobicContact CB-CG1 3.8Å; F1249-I1257 HydrophobicContact CD1-CG1 4.46Å; F1249-I1257 HydrophobicContact CD2-CD1 4.19Å; F1249-I1257 HydrophobicContact CD2-CG1 4.37Å; F1249-I1257 HydrophobicContact CD2-CG2 4.17Å; F1249-I1257 HydrophobicContact CE2-CG2 4.22Å; F1249-I1257 HydrophobicContact CG-CD1 4.1Å; F1249-I1257 HydrophobicContact CG-CG1 3.98Å; F1249-I1257 HydrophobicContact CG-CG2 4.38Å; F1249-I1257 HydrophobicContact CZ-CG2 4.47Å; L1252-I1257 HydrophobicContact CB-CD1 4.41Å; L1252-I1257 HydrophobicContact CB-CG1 3.87Å; S1253-I1257 WeakPolarHBondContact O-CG1 3.09Å; S1253-I1257 PolarHBondContact O-N 2.84Å; H1254-I1257 PolarHBondContact O-N 3.45Å; I1257-K1259 VanDerWaalsContact C-N 3.35Å; I1257-K1259 PolarHBondContact O-N 3.48Å; I1257-L1260 PolarHBondContact O-N 3.22Å; I1257-L1261 HydrophobicContact CG2-CD1 4.03Å; I1257-L1261 HydrophobicContact CG2-CG 4.29Å; I1257-L1261 WeakPolarHBondContact O-CG 3.2Å; I1257-L1261 PolarHBondContact O-N 3Å
1258	I	94.7	Very high	93.2	Very high	36 Å²	36	66.8 Å²	66.8	19%	0.185	36%	0.355	C	S	.	.	H	α-helix	trans	-57.5	-48.9	177.1	-69.1	165	0	0	0	110.4	L1217 I1220 L1221 H1254 E1256 L1260 L1261 E1262	L1217-I1258 HydrophobicContact CD2-CB 4.48Å; L1217-I1258 HydrophobicContact CD2-CG2 4.05Å; I1220-I1258 HydrophobicContact CG2-CD1 3.95Å; I1220-I1258 HydrophobicContact CG2-CG1 4.16Å; L1221-I1258 HydrophobicContact CD2-CG2 4.36Å; H1254-I1258 VanDerWaalsContact O-CG1 3.32Å; H1254-I1258 WeakPolarHBondContact O-CG1 3.34Å; H1254-I1258 PolarHBondContact O-N 3.43Å; H1254-I1258 VanDerWaalsContact O-N 3.08Å; E1256-I1258 PolarHBondContact O-N 3.44Å; I1258-L1260 PolarHBondContact O-N 2.96Å; I1258-L1261 PolarHBondContact O-N 2.96Å; I1258-E1262 HydrophobicContact CG2-CG 4.38Å; I1258-E1262 WeakPolarHBondContact O-CB 3.26Å; I1258-E1262 VanDerWaalsContact O-CG 3.32Å; I1258-E1262 WeakPolarHBondContact O-CG 3.19Å; I1258-E1262 PolarHBondContact O-N 2.99Å
1259	K	94.4	Very high	93.2	Very high	125 Å²	125	72.2 Å²	72.2	54%	0.543	38%	0.376	S	S	.	.	H	α-helix	trans	-60.7	-42.8	178.5	-71.2	174.4	-177.8	175.1	0	112.8	T1255 E1256 I1257 E1262 Q1263	T1255-K1259 WeakPolarHBondContact O-CG 3.34Å; T1255-K1259 PolarHBondContact O-N 2.93Å; E1256-K1259 PolarHBondContact O-N 3.27Å; I1257-K1259 VanDerWaalsContact C-N 3.35Å; I1257-K1259 PolarHBondContact O-N 3.48Å; K1259-E1262 PolarHBondContact O-N 3.39Å; K1259-Q1263 VanDerWaalsContact O-CG 3.26Å; K1259-Q1263 WeakPolarHBondContact O-CG 3.41Å; K1259-Q1263 PolarHBondContact O-N 3.46Å
1260	L	94.3	Very high	93.2	Very high	38 Å²	38	71.9 Å²	71.9	20%	0.199	38%	0.375	C	S	.	.	H	α-helix	trans	-62.1	-46.8	178	-174.5	159.4	0	0	0	110.5	F1249 L1252 E1256 I1257 I1258 E1262 Q1263 G1264 D1265	F1249-L1260 HydrophobicContact CE1-CD2 4.12Å; L1252-L1260 HydrophobicContact CD1-CD1 3.8Å; E1256-L1260 WeakPolarHBondContact O-CB 3.32Å; E1256-L1260 PolarHBondContact O-N 3Å; I1257-L1260 PolarHBondContact O-N 3.22Å; I1258-L1260 PolarHBondContact O-N 2.96Å; L1260-E1262 PolarHBondContact O-N 3.41Å; L1260-Q1263 PolarHBondContact O-N 3.06Å; L1260-G1264 PolarHBondContact O-N 3.24Å; L1260-D1265 VanDerWaalsContact CD2-C 3.46Å; L1260-D1265 HydrophobicContact CD2-CB 3.34Å; L1260-D1265 WeakPolarHBondContact CD2-O 3.01Å; L1260-D1265 HydrophobicContact CG-CB 3.58Å; L1260-D1265 WeakPolarHBondContact O-CB 3.4Å; L1260-D1265 PolarHBondContact O-N 3.16Å; L1260-D1265 VanDerWaalsContact O-N 3.1Å
1261	L	95.5	Very high	93	Very high	7 Å²	7	73.6 Å²	73.6	4%	0.037	39%	0.39	C	S	.	.	H	α-helix	trans	-65.8	-37.8	178.7	-67.8	-178.7	0	0	0	112.5	L1217 W1232 F1249 I1257 I1258 Q1263 G1264 R1266	L1217-L1261 HydrophobicContact CD1-CB 3.99Å; L1217-L1261 HydrophobicContact CD2-CB 3.95Å; L1217-L1261 HydrophobicContact CD2-CD1 4.33Å; L1217-L1261 HydrophobicContact CG-CB 3.89Å; L1217-L1261 HydrophobicContact CG-CD1 4.41Å; W1232-L1261 HydrophobicContact CH2-CD2 4.07Å; W1232-L1261 HydrophobicContact CZ2-CD1 4.03Å; W1232-L1261 HydrophobicContact CZ2-CD2 3.8Å; F1249-L1261 HydrophobicContact CZ-CD2 4.19Å; I1257-L1261 HydrophobicContact CG2-CD1 4.03Å; I1257-L1261 HydrophobicContact CG2-CG 4.29Å; I1257-L1261 WeakPolarHBondContact O-CG 3.2Å; I1257-L1261 PolarHBondContact O-N 3Å; I1258-L1261 PolarHBondContact O-N 2.96Å; L1261-Q1263 VanDerWaalsContact C-N 3.3Å; L1261-Q1263 PolarHBondContact O-N 3.04Å; L1261-G1264 PolarHBondContact O-N 3.06Å; L1261-G1264 VanDerWaalsContact O-N 3.11Å; L1261-R1266 PolarHBondContact O-NH1 3.48Å
1262	E	94	Very high	92.8	Very high	120 Å²	120	72.5 Å²	72.5	56%	0.561	38%	0.379	S	S	*	.	H	α-helix	trans	-63.3	-35.1	175.3	-77.7	179.6	156.4	0	0	112.1	L1217 I1258 K1259 L1260 G1264	L1217-E1262 HydrophobicContact CD1-CB 4.43Å; L1217-E1262 HydrophobicContact CD1-CG 3.76Å; L1217-E1262 HydrophobicContact CD2-CG 4.35Å; I1258-E1262 HydrophobicContact CG2-CG 4.38Å; I1258-E1262 WeakPolarHBondContact O-CB 3.26Å; I1258-E1262 VanDerWaalsContact O-CG 3.32Å; I1258-E1262 WeakPolarHBondContact O-CG 3.19Å; I1258-E1262 PolarHBondContact O-N 2.99Å; K1259-E1262 PolarHBondContact O-N 3.39Å; L1260-E1262 PolarHBondContact O-N 3.41Å; E1262-G1264 PolarHBondContact O-N 3.23Å
1263	Q	94.2	Very high	92.9	Very high	147 Å²	147	69.6 Å²	69.6	69%	0.687	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-10.8	175.2	-71.1	168.7	8.5	0	0	113.1	K1259 L1260 L1261	K1259-Q1263 VanDerWaalsContact O-CG 3.26Å; K1259-Q1263 WeakPolarHBondContact O-CG 3.41Å; K1259-Q1263 PolarHBondContact O-N 3.46Å; L1260-Q1263 PolarHBondContact O-N 3.06Å; L1261-Q1263 VanDerWaalsContact C-N 3.3Å; L1261-Q1263 PolarHBondContact O-N 3.04Å
1264	G	92.2	Very high	92.9	Very high	45 Å²	45	68.6 Å²	68.6	46%	0.464	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	-0.5	-178.8	0	0	0	0	0	114.1	L1260 L1261 E1262 R1266	L1260-G1264 PolarHBondContact O-N 3.24Å; L1261-G1264 PolarHBondContact O-N 3.06Å; L1261-G1264 VanDerWaalsContact O-N 3.11Å; E1262-G1264 PolarHBondContact O-N 3.23Å; G1264-R1266 VanDerWaalsContact C-NH1 3.3Å; G1264-R1266 PolarHBondContact O-NH1 2.89Å
1265	D	93.3	Very high	93	Very high	88 Å²	88	68.8 Å²	68.8	47%	0.471	36%	0.358	S	S	.	.			trans	-70.2	154.5	177.8	-71.7	-33.6	0	0	0	111.3	L1260	L1260-D1265 VanDerWaalsContact CD2-C 3.46Å; L1260-D1265 HydrophobicContact CD2-CB 3.34Å; L1260-D1265 WeakPolarHBondContact CD2-O 3.01Å; L1260-D1265 HydrophobicContact CG-CB 3.58Å; L1260-D1265 WeakPolarHBondContact O-CB 3.4Å; L1260-D1265 PolarHBondContact O-N 3.16Å; L1260-D1265 VanDerWaalsContact O-N 3.1Å
1266	R	96.5	Very high	93.1	Very high	48 Å²	48	67.4 Å²	67.4	18%	0.181	35%	0.352	C	S	.	.			trans	-139.9	168.4	-177	-61.2	-63.3	-179.2	-95.6	1.8	110.9	L1261 G1264 T1268 L1282 W1285	L1261-R1266 PolarHBondContact O-NH1 3.48Å; G1264-R1266 VanDerWaalsContact C-NH1 3.3Å; G1264-R1266 PolarHBondContact O-NH1 2.89Å; R1266-T1268 PolarHBondContact O-N 2.94Å; R1266-L1282 HydrophobicContact CB-CD2 4.31Å; R1266-L1282 HydrophobicContact CG-CD2 4.48Å; R1266-W1285 HydrophobicContact CB-CE3 4.08Å; R1266-W1285 HydrophobicContact CB-CZ3 4.49Å; R1266-W1285 HydrophobicContact CG-CB 4.41Å; R1266-W1285 HydrophobicContact CG-CE3 4.42Å; R1266-W1285 PolarHBondContact NE-O 2.69Å; R1266-W1285 PolarHBondContact NH2-O 3.06Å
1267	L	96.7	Very high	93.1	Very high	13 Å²	13	63 Å²	63	7%	0.068	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-56.6	136.5	173.3	-69.6	165.2	0	0	0	111	V1236 W1239 P1248 F1249 Y1278 W1285	V1236-L1267 HydrophobicContact CG1-CD1 4.4Å; W1239-L1267 HydrophobicContact CB-CD1 4.26Å; W1239-L1267 HydrophobicContact CD2-CB 4.42Å; W1239-L1267 HydrophobicContact CD2-CD1 3.88Å; W1239-L1267 HydrophobicContact CE3-CD1 4.24Å; W1239-L1267 HydrophobicContact CG-CB 4.2Å; W1239-L1267 HydrophobicContact CG-CD1 3.86Å; W1239-L1267 HydrophobicContact CZ2-CD2 4.24Å; P1248-L1267 HydrophobicContact CB-CD1 4.14Å; P1248-L1267 HydrophobicContact CB-CD2 4.44Å; F1249-L1267 HydrophobicContact CD1-CD2 3.57Å; F1249-L1267 HydrophobicContact CD1-CG 4.23Å; F1249-L1267 HydrophobicContact CD2-CD2 4.03Å; F1249-L1267 HydrophobicContact CE1-CD2 3.59Å; F1249-L1267 HydrophobicContact CE1-CG 3.72Å; F1249-L1267 HydrophobicContact CE2-CD1 4.14Å; F1249-L1267 HydrophobicContact CE2-CD2 4.05Å; F1249-L1267 HydrophobicContact CE2-CG 4.02Å; F1249-L1267 HydrophobicContact CG-CD2 3.8Å; F1249-L1267 HydrophobicContact CZ-CD1 4.14Å; F1249-L1267 HydrophobicContact CZ-CD2 3.85Å; F1249-L1267 HydrophobicContact CZ-CG 3.61Å; L1267-Y1278 WeakPolarHBondContact O-CE2 3.48Å; L1267-Y1278 PolarHBondContact O-OH 3.34Å; L1267-W1285 HydrophobicContact CB-CH2 3.82Å; L1267-W1285 HydrophobicContact CB-CZ3 4.09Å; L1267-W1285 HydrophobicContact CD1-CH2 3.99Å; L1267-W1285 HydrophobicContact CD1-CZ2 3.94Å; L1267-W1285 HydrophobicContact CG-CH2 4.45Å
1268	T	95.3	Very high	93.3	Very high	107 Å²	107	64.6 Å²	64.6	66%	0.656	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-71.9	150.6	179.1	53.3	0	0	0	0	111.6	W1239 R1266 P1270	W1239-T1268 PolarHBondContact NE1-O 3.35Å; R1266-T1268 PolarHBondContact O-N 2.94Å; T1268-P1270 WeakPolarHBondContact O-CD 3.42Å
1269	R	96.6	Very high	93.4	Very high	114 Å²	114	67.1 Å²	67.1	43%	0.43	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-58.7	124.6	177.7	-172	172.6	67.8	80.9	6.2	111.4	C1273 E1275 Y1278	R1269-C1273 HydrophobicContact CG-CB 4.08Å; R1269-C1273 PolarHBondContact NH1-O 3.18Å; R1269-E1275 VanDerWaalsContact CD-OE2 3.3Å; R1269-E1275 WeakPolarHBondContact CD-OE2 3.4Å; R1269-E1275 IonicContact NE-OE2 3.35Å; R1269-E1275 PolarHBondContact NE-OE2 3.03Å; R1269-Y1278 VanDerWaalsContact CA-CE2 3.43Å; R1269-Y1278 HydrophobicContact CB-CD1 3.74Å; R1269-Y1278 HydrophobicContact CB-CD2 3.69Å; R1269-Y1278 HydrophobicContact CB-CE1 3.82Å; R1269-Y1278 HydrophobicContact CB-CE2 3.79Å; R1269-Y1278 HydrophobicContact CB-CG 3.66Å; R1269-Y1278 HydrophobicContact CG-CD1 3.97Å; R1269-Y1278 HydrophobicContact CG-CD2 3.82Å; R1269-Y1278 HydrophobicContact CG-CE2 4.44Å; R1269-Y1278 HydrophobicContact CG-CG 3.56Å; R1269-Y1278 PolarHBondContact N-OH 3.44Å
1270	P	93.4	Very high	93.6	Very high	11 Å²	11	61.4 Å²	61.4	7%	0.071	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-62.5	153.2	175.8	-22.6	33.7	0	0	0	112.7	W1239 F1242 S1243 T1268 Q1272 C1273	W1239-P1270 HydrophobicContact CD2-CG 4.46Å; W1239-P1270 HydrophobicContact CG-CG 4.14Å; F1242-P1270 HydrophobicContact CB-CB 4.34Å; F1242-P1270 HydrophobicContact CB-CG 4.25Å; F1242-P1270 WeakPolarHBondContact O-CB 3.38Å; S1243-P1270 VanDerWaalsContact OG-CB 3.32Å; S1243-P1270 WeakPolarHBondContact OG-CB 3.47Å; S1243-P1270 WeakPolarHBondContact OG-CG 3.44Å; T1268-P1270 WeakPolarHBondContact O-CD 3.42Å; P1270-Q1272 PolarHBondContact O-N 2.9Å; P1270-C1273 HydrophobicContact CB-CB 4.06Å; P1270-C1273 HydrophobicContact CG-CB 4.26Å; P1270-C1273 WeakPolarHBondContact O-CB 3.46Å; P1270-C1273 PolarHBondContact O-N 3.32Å
1271	S	84.6	Confident	93.8	Very high	101 Å²	101	59.6 Å²	59.6	71%	0.706	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	134.8	169.7	52.5	0	0	0	0	110.1	C1273	S1271-C1273 PolarHBondContact O-N 3.23Å
1272	Q	81	Confident	93.9	Very high	137 Å²	137	62.2 Å²	62.2	64%	0.64	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	-4	-176.5	-48.1	178.2	-13.9	0	0	116.6	P1270 P1274	P1270-Q1272 PolarHBondContact O-N 2.9Å; Q1272-P1274 WeakPolarHBondContact O-CD 3.45Å
1273	C	91.6	Very high	94.1	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.014	32%	0.322	C	S	.	.			trans	-69.7	122.7	173.6	-176.4	0	0	0	0	111	F1242 R1269 P1270 S1271 M1281	F1242-C1273 HydrophobicContact CB-CB 3.89Å; F1242-C1273 HydrophobicContact CD1-CB 4.31Å; F1242-C1273 HydrophobicContact CG-CB 4.18Å; R1269-C1273 HydrophobicContact CG-CB 4.08Å; R1269-C1273 PolarHBondContact NH1-O 3.18Å; P1270-C1273 HydrophobicContact CB-CB 4.06Å; P1270-C1273 HydrophobicContact CG-CB 4.26Å; P1270-C1273 WeakPolarHBondContact O-CB 3.46Å; P1270-C1273 PolarHBondContact O-N 3.32Å; S1271-C1273 PolarHBondContact O-N 3.23Å; C1273-M1281 VanDerWaalsContact SG-CE 3.52Å
1274	P	91.7	Very high	94.4	Very high	27 Å²	27	54.1 Å²	54.1	18%	0.175	29%	0.289	C	S	.	.			trans	-59.3	141.4	175.4	-22.3	33.1	0	0	0	112	V1145 Q1272 S1276 V1277 Y1278 L1309	V1145-P1274 HydrophobicContact CG1-CG 3.55Å; Q1272-P1274 WeakPolarHBondContact O-CD 3.45Å; P1274-S1276 PolarHBondContact O-N 2.66Å; P1274-V1277 HydrophobicContact CB-CG2 4.11Å; P1274-V1277 HydrophobicContact CG-CG2 4.19Å; P1274-V1277 PolarHBondContact O-N 2.87Å; P1274-Y1278 PolarHBondContact O-N 3.35Å; P1274-Y1278 VanDerWaalsContact O-N 3.12Å; P1274-L1309 HydrophobicContact CG-CD2 4.48Å
1275	E	93.4	Very high	94.7	Very high	97 Å²	97	52.3 Å²	52.3	45%	0.453	27%	0.268	S	S	.	.	H	α-helix	trans	-57.8	-38.9	-178.1	-174	58.6	-154.4	0	0	112	R1269 V1277 Y1278 Q1279	R1269-E1275 VanDerWaalsContact CD-OE2 3.3Å; R1269-E1275 WeakPolarHBondContact CD-OE2 3.4Å; R1269-E1275 IonicContact NE-OE2 3.35Å; R1269-E1275 PolarHBondContact NE-OE2 3.03Å; E1275-V1277 VanDerWaalsContact C-N 3.28Å; E1275-V1277 PolarHBondContact O-N 3.26Å; E1275-Y1278 PolarHBondContact O-N 2.91Å; E1275-Y1278 VanDerWaalsContact O-N 3.16Å; E1275-Q1279 HydrophobicContact CG-CG 4.37Å; E1275-Q1279 VanDerWaalsContact O-CG 3.31Å; E1275-Q1279 WeakPolarHBondContact O-CG 3.4Å; E1275-Q1279 PolarHBondContact O-N 3.27Å; E1275-Q1279 PolarHBondContact OE1-NE2 3.32Å
1276	S	93.9	Very high	94.9	Very high	58 Å²	58	49.6 Å²	49.6	41%	0.406	26%	0.256	S	S	.	.	H	α-helix	trans	-59.3	-36.3	176.7	53.6	0	0	0	0	113.3	P1274 L1280	P1274-S1276 PolarHBondContact O-N 2.66Å; S1276-L1280 PolarHBondContact O-N 2.8Å
1277	V	95	Very high	94.7	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-73	-42.7	175.7	-176.3	0	0	0	0	110.2	F1242 P1274 E1275 Q1279 L1280 M1281 I1305	F1242-V1277 HydrophobicContact CD2-CG1 3.95Å; F1242-V1277 HydrophobicContact CE2-CB 4.43Å; F1242-V1277 HydrophobicContact CE2-CG1 3.54Å; F1242-V1277 HydrophobicContact CE2-CG2 4.38Å; F1242-V1277 HydrophobicContact CZ-CG1 4.18Å; F1242-V1277 HydrophobicContact CZ-CG2 4.2Å; P1274-V1277 HydrophobicContact CB-CG2 4.11Å; P1274-V1277 HydrophobicContact CG-CG2 4.19Å; P1274-V1277 PolarHBondContact O-N 2.87Å; E1275-V1277 VanDerWaalsContact C-N 3.28Å; E1275-V1277 PolarHBondContact O-N 3.26Å; V1277-Q1279 VanDerWaalsContact C-N 3.34Å; V1277-Q1279 PolarHBondContact O-N 3.49Å; V1277-L1280 WeakPolarHBondContact O-CA 3.33Å; V1277-L1280 VanDerWaalsContact O-CB 3.3Å; V1277-L1280 WeakPolarHBondContact O-CB 3.42Å; V1277-L1280 PolarHBondContact O-N 3.28Å; V1277-M1281 HydrophobicContact CG1-CE 3.83Å; V1277-M1281 WeakPolarHBondContact O-CG 3.32Å; V1277-M1281 PolarHBondContact O-N 3.07Å; V1277-I1305 HydrophobicContact CG2-CD1 4.07Å; V1277-I1305 HydrophobicContact CG2-CG2 3.87Å
1278	Y	97.7	Very high	94.6	Very high	33 Å²	33	53.8 Å²	53.8	13%	0.129	29%	0.293	C	S	.	.	H	α-helix	trans	-64.3	-39.2	178.7	-173.7	-115.8	0	0	0	112.4	L1267 R1269 P1274 E1275 L1280 M1281 L1282 W1285	L1267-Y1278 WeakPolarHBondContact O-CE2 3.48Å; L1267-Y1278 PolarHBondContact O-OH 3.34Å; R1269-Y1278 VanDerWaalsContact CA-CE2 3.43Å; R1269-Y1278 HydrophobicContact CB-CD1 3.74Å; R1269-Y1278 HydrophobicContact CB-CD2 3.69Å; R1269-Y1278 HydrophobicContact CB-CE1 3.82Å; R1269-Y1278 HydrophobicContact CB-CE2 3.79Å; R1269-Y1278 HydrophobicContact CB-CG 3.66Å; R1269-Y1278 HydrophobicContact CG-CD1 3.97Å; R1269-Y1278 HydrophobicContact CG-CD2 3.82Å; R1269-Y1278 HydrophobicContact CG-CE2 4.44Å; R1269-Y1278 HydrophobicContact CG-CG 3.56Å; R1269-Y1278 PolarHBondContact N-OH 3.44Å; P1274-Y1278 PolarHBondContact O-N 3.35Å; P1274-Y1278 VanDerWaalsContact O-N 3.12Å; E1275-Y1278 PolarHBondContact O-N 2.91Å; E1275-Y1278 VanDerWaalsContact O-N 3.16Å; Y1278-L1280 PolarHBondContact O-N 3.07Å; Y1278-M1281 HydrophobicContact CD2-CB 4.48Å; Y1278-M1281 HydrophobicContact CD2-SD 3.87Å; Y1278-M1281 WeakPolarHBondContact O-CA 3.19Å; Y1278-M1281 WeakPolarHBondContact O-CB 3.21Å; Y1278-M1281 PolarHBondContact O-N 3.06Å; Y1278-L1282 HydrophobicContact CD1-CD1 4.09Å; Y1278-L1282 HydrophobicContact CD1-CG 4.39Å; Y1278-L1282 HydrophobicContact CE1-CD1 3.76Å; Y1278-L1282 HydrophobicContact CE1-CD2 4.3Å; Y1278-L1282 HydrophobicContact CE1-CG 4.05Å; Y1278-L1282 PolarHBondContact O-N 2.81Å; Y1278-W1285 HydrophobicContact CE2-CZ3 4.34Å
1279	Q	97.1	Very high	94.5	Very high	89 Å²	89	52.5 Å²	52.5	42%	0.416	28%	0.276	S	S	.	.	H	α-helix	trans	-60.9	-33.2	172.2	-68.5	-60.5	-32.8	0	0	112.2	E1275 V1277 K1283	E1275-Q1279 HydrophobicContact CG-CG 4.37Å; E1275-Q1279 VanDerWaalsContact O-CG 3.31Å; E1275-Q1279 WeakPolarHBondContact O-CG 3.4Å; E1275-Q1279 PolarHBondContact O-N 3.27Å; E1275-Q1279 PolarHBondContact OE1-NE2 3.32Å; V1277-Q1279 VanDerWaalsContact C-N 3.34Å; V1277-Q1279 PolarHBondContact O-N 3.49Å; Q1279-K1283 WeakPolarHBondContact O-CG 3.44Å; Q1279-K1283 PolarHBondContact O-N 3.47Å
1280	L	97.8	Very high	94.4	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-68.6	-40.6	171.7	-175.7	61.1	0	0	0	111.8	L1238 S1276 V1277 Y1278 L1282 K1283 C1284 I1298 C1301 L1302	L1238-L1280 HydrophobicContact CD1-CD2 4.43Å; L1238-L1280 HydrophobicContact CD1-CG 4.47Å; S1276-L1280 PolarHBondContact O-N 2.8Å; V1277-L1280 WeakPolarHBondContact O-CA 3.33Å; V1277-L1280 VanDerWaalsContact O-CB 3.3Å; V1277-L1280 WeakPolarHBondContact O-CB 3.42Å; V1277-L1280 PolarHBondContact O-N 3.28Å; Y1278-L1280 PolarHBondContact O-N 3.07Å; L1280-L1282 PolarHBondContact O-N 3.47Å; L1280-K1283 PolarHBondContact O-N 3.17Å; L1280-C1284 PolarHBondContact O-N 2.77Å; L1280-C1284 PolarHBondContact O-SG 3.28Å; L1280-C1284 VanDerWaalsContact O-SG 3.35Å; L1280-I1298 HydrophobicContact CD1-CG1 4.39Å; L1280-I1298 HydrophobicContact CD2-CG2 4Å; L1280-I1298 HydrophobicContact CG-CG2 4.48Å; L1280-C1301 HydrophobicContact CD1-CB 4.23Å; L1280-C1301 HydrophobicContact CD2-CB 4.03Å; L1280-L1302 HydrophobicContact CD2-CD2 3.97Å; L1280-L1302 HydrophobicContact CD2-CG 3.94Å
1281	M	98.4	Very high	94.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.8	-46.2	173.9	-58.7	178.7	-163.9	0	0	111.4	L1238 W1239 F1242 C1273 V1277 Y1278 K1283 C1284 W1285	L1238-M1281 HydrophobicContact CB-CE 3.81Å; L1238-M1281 HydrophobicContact CB-CG 3.8Å; L1238-M1281 HydrophobicContact CB-SD 4.26Å; L1238-M1281 HydrophobicContact CD1-CG 4.03Å; W1239-M1281 HydrophobicContact CB-SD 3.93Å; F1242-M1281 HydrophobicContact CB-CE 4.42Å; F1242-M1281 HydrophobicContact CD2-CE 3.94Å; C1273-M1281 VanDerWaalsContact SG-CE 3.52Å; V1277-M1281 HydrophobicContact CG1-CE 3.83Å; V1277-M1281 WeakPolarHBondContact O-CG 3.32Å; V1277-M1281 PolarHBondContact O-N 3.07Å; Y1278-M1281 HydrophobicContact CD2-CB 4.48Å; Y1278-M1281 HydrophobicContact CD2-SD 3.87Å; Y1278-M1281 WeakPolarHBondContact O-CA 3.19Å; Y1278-M1281 WeakPolarHBondContact O-CB 3.21Å; Y1278-M1281 PolarHBondContact O-N 3.06Å; M1281-K1283 VanDerWaalsContact C-N 3.32Å; M1281-K1283 PolarHBondContact O-N 3.18Å; M1281-C1284 WeakPolarHBondContact O-CA 3.12Å; M1281-C1284 WeakPolarHBondContact O-CB 3.38Å; M1281-C1284 PolarHBondContact O-N 2.99Å; M1281-W1285 HydrophobicContact CB-CE3 4.15Å; M1281-W1285 HydrophobicContact CB-CH2 3.79Å; M1281-W1285 HydrophobicContact CB-CZ2 4.22Å; M1281-W1285 HydrophobicContact CB-CZ3 3.75Å; M1281-W1285 HydrophobicContact CG-CH2 4.39Å; M1281-W1285 PolarHBondContact O-N 3.02Å; M1281-W1285 HydrophobicContact SD-CH2 4.05Å
1282	L	98.3	Very high	95.2	Very high	61 Å²	61	52.9 Å²	52.9	32%	0.319	28%	0.276	S	S	.	.	H	α-helix	trans	-60.3	-39.5	178	-69.5	176.5	0	0	0	112.4	R1266 Y1278 L1280 W1285 S1286	R1266-L1282 HydrophobicContact CB-CD2 4.31Å; R1266-L1282 HydrophobicContact CG-CD2 4.48Å; Y1278-L1282 HydrophobicContact CD1-CD1 4.09Å; Y1278-L1282 HydrophobicContact CD1-CG 4.39Å; Y1278-L1282 HydrophobicContact CE1-CD1 3.76Å; Y1278-L1282 HydrophobicContact CE1-CD2 4.3Å; Y1278-L1282 HydrophobicContact CE1-CG 4.05Å; Y1278-L1282 PolarHBondContact O-N 2.81Å; L1280-L1282 PolarHBondContact O-N 3.47Å; L1282-W1285 HydrophobicContact CD2-CE3 4.33Å; L1282-W1285 CarbonylContact O-C 3.56Å; L1282-W1285 PolarHBondContact O-N 3.44Å; L1282-S1286 PolarHBondContact O-N 3.42Å
1283	K	98.1	Very high	96	Very high	98 Å²	98	47 Å²	47	43%	0.426	25%	0.251	S	S	.	.	H	α-helix	trans	-62.8	-40.3	172.9	-72.4	177.6	178.6	-179	0	112.2	Q1279 L1280 M1281 W1285 S1286 P1293 Y1297	Q1279-K1283 WeakPolarHBondContact O-CG 3.44Å; Q1279-K1283 PolarHBondContact O-N 3.47Å; L1280-K1283 PolarHBondContact O-N 3.17Å; M1281-K1283 VanDerWaalsContact C-N 3.32Å; M1281-K1283 PolarHBondContact O-N 3.18Å; K1283-W1285 PolarHBondContact O-N 2.82Å; K1283-S1286 PolarHBondContact O-N 3.38Å; K1283-P1293 HydrophobicContact CB-CG 4.21Å; K1283-P1293 WeakPolarHBondContact O-CD 3.33Å; K1283-Y1297 PolarHBondContact NZ-OH 2.7Å
1284	C	98.6	Very high	96.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.8	-30.1	175	-66.3	0	0	0	0	112.6	V1231 L1280 M1281 R1292	V1231-C1284 HydrophobicContact CG1-CB 4.06Å; L1280-C1284 PolarHBondContact O-N 2.77Å; L1280-C1284 PolarHBondContact O-SG 3.28Å; L1280-C1284 VanDerWaalsContact O-SG 3.35Å; M1281-C1284 WeakPolarHBondContact O-CA 3.12Å; M1281-C1284 WeakPolarHBondContact O-CB 3.38Å; M1281-C1284 PolarHBondContact O-N 2.99Å; C1284-R1292 VanDerWaalsContact O-CD 3.3Å; C1284-R1292 WeakPolarHBondContact O-CD 3.29Å; C1284-R1292 WeakPolarHBondContact O-CG 3.47Å
1285	W	98.3	Very high	96.6	Very high	6 Å²	6	51.1 Å²	51.1	2%	0.023	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	26	179.5	-54.6	-41.2	0	0	0	114.8	W1232 G1235 V1236 W1239 R1266 L1267 Y1278 M1281 L1282 K1283 A1287	W1232-W1285 HydrophobicContact CD2-CB 4.38Å; W1232-W1285 AromaticContact CD2-CD1 3.61Å; W1232-W1285 HydrophobicContact CD2-CG 4.35Å; W1232-W1285 AromaticContact CE2-CD1 3.73Å; W1232-W1285 VanDerWaalsContact CE3-CA 3.49Å; W1232-W1285 HydrophobicContact CE3-CB 4.04Å; W1232-W1285 HydrophobicContact CE3-CG 4.48Å; W1232-W1285 AromaticContact CG-CD1 3.82Å; W1232-W1285 HydrophobicContact CH2-CB 4.13Å; W1232-W1285 HydrophobicContact CZ2-CB 4.45Å; W1232-W1285 HydrophobicContact CZ3-CB 3.92Å; W1232-W1285 VanDerWaalsContact CZ3-O 3.25Å; W1232-W1285 WeakPolarHBondContact CZ3-O 3.41Å; W1232-W1285 AromaticContact NE1-CD1 3.95Å; W1232-W1285 PolarHBondContact O-NE1 2.95Å; G1235-W1285 WeakPolarHBondContact O-CZ2 3.33Å; V1236-W1285 HydrophobicContact CG2-CZ2 4.16Å; W1239-W1285 HydrophobicContact CB-CH2 3.94Å; W1239-W1285 HydrophobicContact CB-CZ2 4.08Å; W1239-W1285 HydrophobicContact CG-CH2 4.26Å; R1266-W1285 HydrophobicContact CB-CE3 4.08Å; R1266-W1285 HydrophobicContact CB-CZ3 4.49Å; R1266-W1285 HydrophobicContact CG-CB 4.41Å; R1266-W1285 HydrophobicContact CG-CE3 4.42Å; R1266-W1285 PolarHBondContact NE-O 2.69Å; R1266-W1285 PolarHBondContact NH2-O 3.06Å; L1267-W1285 HydrophobicContact CB-CH2 3.82Å; L1267-W1285 HydrophobicContact CB-CZ3 4.09Å; L1267-W1285 HydrophobicContact CD1-CH2 3.99Å; L1267-W1285 HydrophobicContact CD1-CZ2 3.94Å; L1267-W1285 HydrophobicContact CG-CH2 4.45Å; Y1278-W1285 HydrophobicContact CE2-CZ3 4.34Å; M1281-W1285 HydrophobicContact CB-CE3 4.15Å; M1281-W1285 HydrophobicContact CB-CH2 3.79Å; M1281-W1285 HydrophobicContact CB-CZ2 4.22Å; M1281-W1285 HydrophobicContact CB-CZ3 3.75Å; M1281-W1285 HydrophobicContact CG-CH2 4.39Å; M1281-W1285 PolarHBondContact O-N 3.02Å; M1281-W1285 HydrophobicContact SD-CH2 4.05Å; L1282-W1285 HydrophobicContact CD2-CE3 4.33Å; L1282-W1285 CarbonylContact O-C 3.56Å; L1282-W1285 PolarHBondContact O-N 3.44Å; K1283-W1285 PolarHBondContact O-N 2.82Å; W1285-A1287 PolarHBondContact O-N 3.05Å
1286	S	97.8	Very high	96.8	Very high	32 Å²	32	49.9 Å²	49.9	22%	0.224	26%	0.261	C	S	.	.			trans	-57.9	134.4	169.8	-176.7	0	0	0	0	110.5	L1282 K1283 D1288 E1291 R1292	L1282-S1286 PolarHBondContact O-N 3.42Å; K1283-S1286 PolarHBondContact O-N 3.38Å; S1286-D1288 VanDerWaalsContact C-N 3.31Å; S1286-D1288 WeakPolarHBondContact CB-O 3.19Å; S1286-D1288 PolarHBondContact OG-N 3Å; S1286-D1288 PolarHBondContact OG-O 3.1Å; S1286-D1288 VanDerWaalsContact OG-O 3.07Å; S1286-E1291 WeakPolarHBondContact OG-CB 3.31Å; S1286-R1292 PolarHBondContact O-NE 3.32Å; S1286-R1292 PolarHBondContact O-NH2 3.46Å
1287	A	93.8	Very high	97	Very high	75 Å²	75	52.1 Å²	52.1	62%	0.62	26%	0.261	S	S	*	.	S	Bend	trans	-62.6	-42.1	175.7	0	0	0	0	0	110.8	W1285 R1289	W1285-A1287 PolarHBondContact O-N 3.05Å; A1287-R1289 PolarHBondContact O-N 3.25Å
1288	D	94	Very high	97.2	Very high	74 Å²	74	52 Å²	52	40%	0.396	26%	0.261	S	S	.	.	S	Bend	trans	-77.7	119.3	169.2	-177.6	15.6	0	0	0	110.4	S1286 T1290 E1291	S1286-D1288 VanDerWaalsContact C-N 3.31Å; S1286-D1288 WeakPolarHBondContact CB-O 3.19Å; S1286-D1288 PolarHBondContact OG-N 3Å; S1286-D1288 PolarHBondContact OG-O 3.1Å; S1286-D1288 VanDerWaalsContact OG-O 3.07Å; D1288-T1290 PolarHBondContact O-N 3.49Å; D1288-T1290 PolarHBondContact OD1-N 3.38Å; D1288-T1290 VanDerWaalsContact OD1-N 3.14Å; D1288-T1290 PolarHBondContact OD1-OG1 2.73Å; D1288-T1290 PolarHBondContact OD2-OG1 3.12Å; D1288-E1291 HydrophobicContact CB-CB 4.45Å; D1288-E1291 HydrophobicContact CB-CG 4.12Å; D1288-E1291 PolarHBondContact O-N 2.71Å
1289	R	94.1	Very high	97.2	Very high	79 Å²	79	53 Å²	53	30%	0.298	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-58.4	-34.9	178.5	72.3	-179.9	-175	97.1	-15.1	112.5	D1201 D1228 A1287 E1291 R1292	D1201-R1289 IonicContact OD2-CZ 3.63Å; D1201-R1289 IonicContact OD2-NH1 3.57Å; D1201-R1289 IonicContact OD2-NH2 3.22Å; D1201-R1289 PolarHBondContact OD2-NH2 2.76Å; D1228-R1289 HydrophobicContact CB-CB 4.35Å; D1228-R1289 IonicContact OD2-NH1 3.87Å; A1287-R1289 PolarHBondContact O-N 3.25Å; R1289-E1291 PolarHBondContact O-N 2.88Å; R1289-R1292 WeakPolarHBondContact O-CB 3.27Å; R1289-R1292 PolarHBondContact O-N 3.49Å; R1289-R1292 VanDerWaalsContact O-N 3.14Å
1290	T	93.1	Very high	97.2	Very high	91 Å²	91	52.5 Å²	52.5	56%	0.558	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-72.3	-19.8	-175.3	39.5	0	0	0	0	113	D1288	D1288-T1290 PolarHBondContact O-N 3.49Å; D1288-T1290 PolarHBondContact OD1-N 3.38Å; D1288-T1290 VanDerWaalsContact OD1-N 3.14Å; D1288-T1290 PolarHBondContact OD1-OG1 2.73Å; D1288-T1290 PolarHBondContact OD2-OG1 3.12Å
1291	E	96.9	Very high	97.1	Very high	137 Å²	137	53.7 Å²	53.7	64%	0.64	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-85.1	-10.2	174.2	-65.6	-63.1	148.9	0	0	112.9	S1286 D1288 R1289	S1286-E1291 WeakPolarHBondContact OG-CB 3.31Å; D1288-E1291 HydrophobicContact CB-CB 4.45Å; D1288-E1291 HydrophobicContact CB-CG 4.12Å; D1288-E1291 PolarHBondContact O-N 2.71Å; R1289-E1291 PolarHBondContact O-N 2.88Å
1292	R	98.4	Very high	96.9	Very high	6 Å²	6	53.9 Å²	53.9	2%	0.023	27%	0.274	C	S	.	.	S	Bend	trans	-71.2	137	176.8	-60.7	179.4	-165.5	150.5	9.4	110.1	E1218 D1228 V1231 C1284 S1286 R1289	E1218-R1292 IonicContact OE1-CZ 3.22Å; E1218-R1292 VanDerWaalsContact OE1-CZ 3.22Å; E1218-R1292 IonicContact OE1-NH1 2.72Å; E1218-R1292 PolarHBondContact OE1-NH1 2.99Å; E1218-R1292 IonicContact OE1-NH2 2.85Å; E1218-R1292 PolarHBondContact OE1-NH2 3.45Å; E1218-R1292 IonicContact OE2-NH2 3.19Å; E1218-R1292 PolarHBondContact OE2-NH2 3.38Å; D1228-R1292 WeakPolarHBondContact O-CD 3.35Å; D1228-R1292 PolarHBondContact O-NH1 3.2Å; V1231-R1292 HydrophobicContact CG1-CB 3.95Å; C1284-R1292 VanDerWaalsContact O-CD 3.3Å; C1284-R1292 WeakPolarHBondContact O-CD 3.29Å; C1284-R1292 WeakPolarHBondContact O-CG 3.47Å; S1286-R1292 PolarHBondContact O-NE 3.32Å; S1286-R1292 PolarHBondContact O-NH2 3.46Å; R1289-R1292 WeakPolarHBondContact O-CB 3.27Å; R1289-R1292 PolarHBondContact O-N 3.49Å; R1289-R1292 VanDerWaalsContact O-N 3.14Å
1293	P	97.9	Very high	96.8	Very high	15 Å²	15	54.5 Å²	54.5	10%	0.097	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-69.1	144.8	-178.6	27.3	-33.8	0	0	0	111.9	V1231 K1283 Y1297 I1298	V1231-P1293 HydrophobicContact CG1-CG 4.46Å; V1231-P1293 WeakPolarHBondContact CG1-O 3.42Å; V1231-P1293 WeakPolarHBondContact CG2-O 3.47Å; K1283-P1293 HydrophobicContact CB-CG 4.21Å; K1283-P1293 WeakPolarHBondContact O-CD 3.33Å; P1293-Y1297 HydrophobicContact CB-CD1 3.48Å; P1293-Y1297 VanDerWaalsContact CB-CD1 3.48Å; P1293-Y1297 HydrophobicContact CB-CE1 4.12Å; P1293-Y1297 HydrophobicContact CB-CG 4.22Å; P1293-Y1297 HydrophobicContact CG-CD1 4.48Å; P1293-I1298 HydrophobicContact CB-CG1 4.01Å; P1293-I1298 HydrophobicContact CG-CD1 4.12Å; P1293-I1298 HydrophobicContact CG-CG1 3.81Å
1294	K	97.8	Very high	96.5	Very high	112 Å²	112	54.5 Å²	54.5	49%	0.487	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-70.5	151.9	170.4	-57.2	-60.1	173.7	-172.2	0	110.8	D1228 I1296 Y1297 I1298	D1228-K1294 VanDerWaalsContact CG-NZ 3.35Å; D1228-K1294 IonicContact OD1-NZ 2.7Å; D1228-K1294 PolarHBondContact OD1-NZ 2.83Å; D1228-K1294 IonicContact OD2-NZ 3.31Å; D1228-K1294 PolarHBondContact OD2-NZ 2.93Å; K1294-I1296 PolarHBondContact O-N 3.5Å; K1294-I1296 VanDerWaalsContact O-N 3.1Å; K1294-Y1297 WeakPolarHBondContact O-CA 3.42Å; K1294-Y1297 WeakPolarHBondContact O-CB 3.3Å; K1294-Y1297 PolarHBondContact O-N 3.33Å; K1294-I1298 PolarHBondContact O-N 2.76Å; K1294-I1298 VanDerWaalsContact O-N 3.13Å
1295	F	98.5	Very high	96.1	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.009	28%	0.279	C	S	.	.	H	α-helix	trans	-54.3	-34.2	-178.8	-76	-67.5	0	0	0	114.2	M1159 V1160 I1227 D1230 V1231 F1234 Y1297 I1298 R1299	M1159-F1295 HydrophobicContact CB-CD1 3.5Å; M1159-F1295 HydrophobicContact CB-CD2 4.12Å; M1159-F1295 HydrophobicContact CB-CE1 3.44Å; M1159-F1295 VanDerWaalsContact CB-CE1 3.44Å; M1159-F1295 HydrophobicContact CB-CE2 4.06Å; M1159-F1295 HydrophobicContact CB-CG 3.86Å; M1159-F1295 HydrophobicContact CB-CZ 3.73Å; M1159-F1295 HydrophobicContact CE-CE1 4.41Å; M1159-F1295 HydrophobicContact CE-CE2 3.99Å; M1159-F1295 HydrophobicContact CE-CZ 3.69Å; M1159-F1295 HydrophobicContact CG-CD1 4.42Å; M1159-F1295 HydrophobicContact CG-CE1 3.93Å; M1159-F1295 HydrophobicContact CG-CZ 4.15Å; V1160-F1295 HydrophobicContact CB-CB 4.45Å; V1160-F1295 HydrophobicContact CG2-CB 3.71Å; I1227-F1295 HydrophobicContact CG2-CD2 4.25Å; I1227-F1295 HydrophobicContact CG2-CE2 4.1Å; D1230-F1295 HydrophobicContact CB-CE2 4.15Å; D1230-F1295 HydrophobicContact CB-CZ 3.9Å; V1231-F1295 HydrophobicContact CB-CZ 4.47Å; V1231-F1295 HydrophobicContact CG2-CD2 4.11Å; V1231-F1295 HydrophobicContact CG2-CE1 4.23Å; V1231-F1295 HydrophobicContact CG2-CE2 3.73Å; V1231-F1295 HydrophobicContact CG2-CZ 3.8Å; F1234-F1295 HydrophobicContact CB-CE1 3.8Å; F1234-F1295 HydrophobicContact CB-CZ 4.38Å; F1234-F1295 HydrophobicContact CD2-CE1 4.05Å; F1234-F1295 AromaticContact CG-CE1 3.86Å; F1234-F1295 HydrophobicContact CG-CE1 3.86Å; F1295-Y1297 VanDerWaalsContact C-N 3.3Å; F1295-Y1297 PolarHBondContact O-N 3.44Å; F1295-I1298 HydrophobicContact CD1-CD1 4.01Å; F1295-I1298 HydrophobicContact CE1-CD1 4.38Å; F1295-I1298 PolarHBondContact O-N 2.95Å; F1295-R1299 WeakPolarHBondContact O-CB 3.42Å; F1295-R1299 PolarHBondContact O-N 2.81Å
1296	I	97.5	Very high	95.6	Very high	71 Å²	71	57.2 Å²	57.2	36%	0.364	29%	0.288	S	S	.	.	H	α-helix	trans	-60.1	-40.7	175.2	-65.9	170.5	0	0	0	111.4	V1160 K1294 N1300	V1160-I1296 HydrophobicContact CG1-CG1 3.9Å; V1160-I1296 HydrophobicContact CG2-CG1 4.39Å; K1294-I1296 PolarHBondContact O-N 3.5Å; K1294-I1296 VanDerWaalsContact O-N 3.1Å; I1296-N1300 PolarHBondContact O-N 3.43Å; I1296-N1300 VanDerWaalsContact O-N 3.15Å; I1296-N1300 PolarHBondContact O-ND2 3.31Å; I1296-N1300 PolarHBondContact O-OD1 3.16Å
1297	Y	98	Very high	95	Very high	105 Å²	105	62.3 Å²	62.3	41%	0.412	31%	0.306	S	S	.	.	H	α-helix	trans	-68.3	-45.8	176.3	178.5	-89	0	0	0	111	K1283 P1293 K1294 F1295 R1299 N1300 C1301	K1283-Y1297 PolarHBondContact NZ-OH 2.7Å; P1293-Y1297 HydrophobicContact CB-CD1 3.48Å; P1293-Y1297 VanDerWaalsContact CB-CD1 3.48Å; P1293-Y1297 HydrophobicContact CB-CE1 4.12Å; P1293-Y1297 HydrophobicContact CB-CG 4.22Å; P1293-Y1297 HydrophobicContact CG-CD1 4.48Å; K1294-Y1297 WeakPolarHBondContact O-CA 3.42Å; K1294-Y1297 WeakPolarHBondContact O-CB 3.3Å; K1294-Y1297 PolarHBondContact O-N 3.33Å; F1295-Y1297 VanDerWaalsContact C-N 3.3Å; F1295-Y1297 PolarHBondContact O-N 3.44Å; Y1297-R1299 VanDerWaalsContact C-N 3.31Å; Y1297-R1299 PolarHBondContact O-N 2.96Å; Y1297-N1300 PolarHBondContact O-N 3.04Å; Y1297-N1300 VanDerWaalsContact O-N 3.12Å; Y1297-C1301 WeakPolarHBondContact CE1-SG 3.44Å; Y1297-C1301 VanDerWaalsContact CZ-SG 3.57Å; Y1297-C1301 PolarHBondContact O-N 3.37Å; Y1297-C1301 PolarHBondContact O-SG 3.33Å
1298	I	98.5	Very high	94.5	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-55.3	-48.1	176.8	-59.3	174.8	0	0	0	110.2	V1231 F1234 L1280 P1293 K1294 F1295 N1300 C1301 L1302	V1231-I1298 HydrophobicContact CG1-CD1 3.92Å; V1231-I1298 HydrophobicContact CG2-CD1 4.44Å; F1234-I1298 HydrophobicContact CD1-CD1 4.47Å; F1234-I1298 HydrophobicContact CD1-CG2 4Å; F1234-I1298 HydrophobicContact CE1-CG2 3.62Å; L1280-I1298 HydrophobicContact CD1-CG1 4.39Å; L1280-I1298 HydrophobicContact CD2-CG2 4Å; L1280-I1298 HydrophobicContact CG-CG2 4.48Å; P1293-I1298 HydrophobicContact CB-CG1 4.01Å; P1293-I1298 HydrophobicContact CG-CD1 4.12Å; P1293-I1298 HydrophobicContact CG-CG1 3.81Å; K1294-I1298 PolarHBondContact O-N 2.76Å; K1294-I1298 VanDerWaalsContact O-N 3.13Å; F1295-I1298 HydrophobicContact CD1-CD1 4.01Å; F1295-I1298 HydrophobicContact CE1-CD1 4.38Å; F1295-I1298 PolarHBondContact O-N 2.95Å; I1298-N1300 PolarHBondContact O-N 2.71Å; I1298-C1301 PolarHBondContact O-N 3.36Å; I1298-L1302 HydrophobicContact CG2-CD1 3.91Å; I1298-L1302 HydrophobicContact CG2-CG 4.42Å; I1298-L1302 VanDerWaalsContact O-CG 3.32Å; I1298-L1302 WeakPolarHBondContact O-CG 3.27Å; I1298-L1302 PolarHBondContact O-N 3.44Å
1299	R	97.4	Very high	93.7	Very high	54 Å²	54	65.9 Å²	65.9	20%	0.204	31%	0.314	C	S	.	.	H	α-helix	trans	-55.8	-48	175.8	177.6	-174.7	66.6	-175.1	-1.9	112.3	C1156 E1157 V1160 F1295 Y1297 L1302 K1303	C1156-R1299 PolarHBondContact SG-N 3.44Å; E1157-R1299 WeakPolarHBondContact OE1-CD 3.34Å; E1157-R1299 WeakPolarHBondContact OE2-CD 3.45Å; E1157-R1299 IonicContact OE2-CZ 3.1Å; E1157-R1299 IonicContact OE2-NE 3.64Å; E1157-R1299 IonicContact OE2-NH1 2.77Å; E1157-R1299 PolarHBondContact OE2-NH1 3.23Å; V1160-R1299 HydrophobicContact CG2-CB 4.24Å; F1295-R1299 WeakPolarHBondContact O-CB 3.42Å; F1295-R1299 PolarHBondContact O-N 2.81Å; Y1297-R1299 VanDerWaalsContact C-N 3.31Å; Y1297-R1299 PolarHBondContact O-N 2.96Å; R1299-L1302 PolarHBondContact O-N 3.26Å; R1299-K1303 HydrophobicContact CG-CD 4.25Å; R1299-K1303 WeakPolarHBondContact O-CG 3.25Å; R1299-K1303 PolarHBondContact O-N 2.84Å
1300	N	97.3	Very high	93.7	Very high	79 Å²	79	65.2 Å²	65.2	42%	0.422	32%	0.315	S	S	.	.	H	α-helix	trans	-64.5	-43	-178.7	-67.3	-9.6	0	0	0	110.7	I1296 Y1297 I1298 L1302 K1303 E1304	I1296-N1300 PolarHBondContact O-N 3.43Å; I1296-N1300 VanDerWaalsContact O-N 3.15Å; I1296-N1300 PolarHBondContact O-ND2 3.31Å; I1296-N1300 PolarHBondContact O-OD1 3.16Å; Y1297-N1300 PolarHBondContact O-N 3.04Å; Y1297-N1300 VanDerWaalsContact O-N 3.12Å; I1298-N1300 PolarHBondContact O-N 2.71Å; N1300-L1302 PolarHBondContact O-N 3.36Å; N1300-K1303 PolarHBondContact O-N 2.84Å; N1300-E1304 WeakPolarHBondContact O-CG 3.14Å; N1300-E1304 PolarHBondContact O-N 3Å
1301	C	96	Very high	93.7	Very high	31 Å²	31	63.8 Å²	63.8	21%	0.209	30%	0.302	C	S	.	.	H	α-helix	trans	-59.2	-46.4	173.8	-70.7	0	0	0	0	112.2	L1280 Y1297 I1298 K1303 E1304 I1305	L1280-C1301 HydrophobicContact CD1-CB 4.23Å; L1280-C1301 HydrophobicContact CD2-CB 4.03Å; Y1297-C1301 WeakPolarHBondContact CE1-SG 3.44Å; Y1297-C1301 VanDerWaalsContact CZ-SG 3.57Å; Y1297-C1301 PolarHBondContact O-N 3.37Å; Y1297-C1301 PolarHBondContact O-SG 3.33Å; I1298-C1301 PolarHBondContact O-N 3.36Å; C1301-K1303 VanDerWaalsContact C-N 3.33Å; C1301-K1303 PolarHBondContact O-N 3.07Å; C1301-E1304 PolarHBondContact O-N 3.15Å; C1301-I1305 VanDerWaalsContact O-CG1 3.25Å; C1301-I1305 WeakPolarHBondContact O-CG1 3.38Å; C1301-I1305 PolarHBondContact O-N 2.66Å
1302	L	95.4	Very high	93.5	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-62.3	-39.3	178	-70.7	167.2	0	0	0	112.2	V1152 I1153 C1156 F1234 L1238 L1280 I1298 R1299 N1300 I1305 F1306	V1152-L1302 HydrophobicContact CG1-CD1 3.66Å; V1152-L1302 HydrophobicContact CG1-CD2 3.78Å; V1152-L1302 HydrophobicContact CG1-CG 4.35Å; I1153-L1302 HydrophobicContact CG1-CB 3.8Å; C1156-L1302 HydrophobicContact CB-CD1 3.91Å; F1234-L1302 HydrophobicContact CE1-CD1 4.25Å; F1234-L1302 HydrophobicContact CZ-CD1 4.32Å; L1238-L1302 HydrophobicContact CD2-CD2 4.35Å; L1280-L1302 HydrophobicContact CD2-CD2 3.97Å; L1280-L1302 HydrophobicContact CD2-CG 3.94Å; I1298-L1302 HydrophobicContact CG2-CD1 3.91Å; I1298-L1302 HydrophobicContact CG2-CG 4.42Å; I1298-L1302 VanDerWaalsContact O-CG 3.32Å; I1298-L1302 WeakPolarHBondContact O-CG 3.27Å; I1298-L1302 PolarHBondContact O-N 3.44Å; R1299-L1302 PolarHBondContact O-N 3.26Å; N1300-L1302 PolarHBondContact O-N 3.36Å; L1302-I1305 PolarHBondContact O-N 3.49Å; L1302-F1306 VanDerWaalsContact O-CB 3.27Å; L1302-F1306 WeakPolarHBondContact O-CB 3.15Å; L1302-F1306 PolarHBondContact O-N 3.41Å
1303	K	95.1	Very high	93.3	Very high	73 Å²	73	62.9 Å²	62.9	32%	0.317	30%	0.299	S	S	.	.	H	α-helix	trans	-65.7	-37.5	176.2	-76.1	-178.7	-179.9	176.5	0	112.7	I1153 E1157 R1299 N1300 C1301 K1307	I1153-K1303 HydrophobicContact CD1-CG 4.19Å; I1153-K1303 HydrophobicContact CG2-CG 4.43Å; E1157-K1303 VanDerWaalsContact OE1-CE 3.32Å; E1157-K1303 WeakPolarHBondContact OE1-CE 3.3Å; E1157-K1303 IonicContact OE1-NZ 3.97Å; E1157-K1303 PolarHBondContact OE1-NZ 3.49Å; R1299-K1303 HydrophobicContact CG-CD 4.25Å; R1299-K1303 WeakPolarHBondContact O-CG 3.25Å; R1299-K1303 PolarHBondContact O-N 2.84Å; N1300-K1303 PolarHBondContact O-N 2.84Å; C1301-K1303 VanDerWaalsContact C-N 3.33Å; C1301-K1303 PolarHBondContact O-N 3.07Å; K1303-K1307 WeakPolarHBondContact O-CG 3.49Å; K1303-K1307 PolarHBondContact O-N 3.17Å
1304	E	93	Very high	93	Very high	99 Å²	99	65.9 Å²	65.9	46%	0.463	31%	0.312	S	S	.	.	H	α-helix	trans	-69.6	-46.2	174.1	-65.6	-51.3	121.7	0	0	111.3	N1300 C1301 F1306 K1307 D1308	N1300-E1304 WeakPolarHBondContact O-CG 3.14Å; N1300-E1304 PolarHBondContact O-N 3Å; C1301-E1304 PolarHBondContact O-N 3.15Å; E1304-F1306 PolarHBondContact O-N 2.99Å; E1304-K1307 WeakPolarHBondContact O-CB 3.24Å; E1304-K1307 PolarHBondContact O-N 3.09Å; E1304-K1307 IonicContact OE1-NZ 2.88Å; E1304-K1307 PolarHBondContact OE1-NZ 3.26Å; E1304-K1307 IonicContact OE2-NZ 3.24Å; E1304-D1308 PolarHBondContact O-N 3.1Å; E1304-D1308 VanDerWaalsContact O-N 3.16Å
1305	I	88.8	Confident	92.6	Very high	16 Å²	16	62.9 Å²	62.9	8%	0.082	30%	0.3	C	S	.	.	H	α-helix	trans	-57.1	-39.6	175	-65.9	166	0	0	0	111	V1277 C1301 L1302 K1307 D1308 L1309	V1277-I1305 HydrophobicContact CG2-CD1 4.07Å; V1277-I1305 HydrophobicContact CG2-CG2 3.87Å; C1301-I1305 VanDerWaalsContact O-CG1 3.25Å; C1301-I1305 WeakPolarHBondContact O-CG1 3.38Å; C1301-I1305 PolarHBondContact O-N 2.66Å; L1302-I1305 PolarHBondContact O-N 3.49Å; I1305-K1307 VanDerWaalsContact C-N 3.35Å; I1305-K1307 PolarHBondContact O-N 2.86Å; I1305-D1308 PolarHBondContact O-N 2.98Å; I1305-L1309 HydrophobicContact CG2-CD1 4.04Å; I1305-L1309 WeakPolarHBondContact O-CG 3.07Å; I1305-L1309 PolarHBondContact O-N 3.27Å
1306	F	87.7	Confident	92.2	Very high	47 Å²	47	67.2 Å²	67.2	21%	0.206	32%	0.321	C	S	.	.	H	α-helix	trans	-65.8	-33.3	176.8	173.4	-98.7	0	0	0	113.5	K1146 A1149 E1150 I1153 L1302 E1304 D1308 L1309	K1146-F1306 HydrophobicContact CD-CE2 4.24Å; K1146-F1306 HydrophobicContact CG-CD2 4.05Å; K1146-F1306 HydrophobicContact CG-CE2 3.46Å; K1146-F1306 VanDerWaalsContact CG-CE2 3.46Å; K1146-F1306 HydrophobicContact CG-CZ 4.33Å; A1149-F1306 HydrophobicContact CB-CD2 4.13Å; E1150-F1306 HydrophobicContact CG-CD2 3.83Å; E1150-F1306 HydrophobicContact CG-CE2 3.16Å; E1150-F1306 HydrophobicContact CG-CZ 3.66Å; E1150-F1306 WeakPolarHBondContact OE1-CE2 3.17Å; E1150-F1306 WeakPolarHBondContact OE1-CZ 3.32Å; I1153-F1306 HydrophobicContact CD1-CB 3.76Å; I1153-F1306 HydrophobicContact CD1-CG 4.02Å; L1302-F1306 VanDerWaalsContact O-CB 3.27Å; L1302-F1306 WeakPolarHBondContact O-CB 3.15Å; L1302-F1306 PolarHBondContact O-N 3.41Å; E1304-F1306 PolarHBondContact O-N 2.99Å; F1306-D1308 VanDerWaalsContact C-N 3.31Å; F1306-L1309 PolarHBondContact O-N 3.3Å
1307	K	86.6	Confident	91.8	Very high	139 Å²	139	66.9 Å²	66.9	60%	0.604	32%	0.317	S	S	*	.	H	α-helix	trans	-69.5	-32.4	174.7	-71.7	169.6	-175.6	169.6	0	111.9	K1303 E1304 I1305 L1309	K1303-K1307 WeakPolarHBondContact O-CG 3.49Å; K1303-K1307 PolarHBondContact O-N 3.17Å; E1304-K1307 WeakPolarHBondContact O-CB 3.24Å; E1304-K1307 PolarHBondContact O-N 3.09Å; E1304-K1307 IonicContact OE1-NZ 2.88Å; E1304-K1307 PolarHBondContact OE1-NZ 3.26Å; E1304-K1307 IonicContact OE2-NZ 3.24Å; I1305-K1307 VanDerWaalsContact C-N 3.35Å; I1305-K1307 PolarHBondContact O-N 2.86Å; K1307-L1309 VanDerWaalsContact C-N 3.33Å
1308	D	81.9	Confident	91.3	Very high	142 Å²	142	63.8 Å²	63.8	76%	0.759	31%	0.309	S	S	*	.	H	α-helix	trans	-75.7	-20.8	178.7	-67.1	-21	0	0	0	113.1	E1304 I1305 F1306	E1304-D1308 PolarHBondContact O-N 3.1Å; E1304-D1308 VanDerWaalsContact O-N 3.16Å; I1305-D1308 PolarHBondContact O-N 2.98Å; F1306-D1308 VanDerWaalsContact C-N 3.31Å
1309	L	78.1	Confident	90.7	Very high	81 Å²	81	69.5 Å²	69.5	42%	0.424	34%	0.338	S	S	.	.			trans	-89.5	0	176.8	-69.8	168.8	0	0	0	112.8	V1145 K1146 A1149 P1274 I1305 F1306 K1307	V1145-L1309 HydrophobicContact CG1-CD1 3.81Å; V1145-L1309 HydrophobicContact CG1-CD2 3.89Å; K1146-L1309 HydrophobicContact CB-CB 4.49Å; K1146-L1309 PolarHBondContact NZ-OXT 2.99Å; A1149-L1309 HydrophobicContact CB-CD1 4.14Å; P1274-L1309 HydrophobicContact CG-CD2 4.48Å; I1305-L1309 HydrophobicContact CG2-CD1 4.04Å; I1305-L1309 WeakPolarHBondContact O-CG 3.07Å; I1305-L1309 PolarHBondContact O-N 3.27Å; F1306-L1309 PolarHBondContact O-N 3.3Å; K1307-L1309 VanDerWaalsContact C-N 3.33Å

Retrieved 1,309 of 1,309 residues in 642.6 ms (Link to these results)

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