A0A061HZS8_CRIGR Loading...

Tyrosine-protein phosphatase non-receptor type

AlphaFold DB , UniProt , Accession A0A061HZS8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ptpn14, Length 1,185 aa.

						>A0A061HZS8_CRIGR|A0A061HZS8|Ptpn14
MPFGLKLRRTRRYNVLSKNCFVTRIRLLDSNVIECTLSVESTGQECLEAVAQRLELRETHYFGLWFLSKSQQARWVELEKPLKKHLDKLANEPLLFFGVMFYVPNVSWLHQEATRYQYYLQVKKDVLEGRLRCTLEQVIRLAGLAVQADFGDYNQFDSQEFLREYVLFPMDLALEEAVLEELTQKVAQEHKAHSGILPAEAELMYINEVERLDGFGQETFPVKDNQGNSMHLGIFFMGIFVRNRIGRQAVIYRWNDIGSVTHSKSSILLELIDKEETALFHTDDIENAKYISRLFTTRHKFYKQNKICTEPSNSPPPIRRQPTWSRSSLPRQQPYILPPMHVQSSEHYSETHTSQDSIFPGNEEALYCNSHNSLDLNYLNGTVTNGSVCSVHSINSLSCSQSFIQASPVSSNLSIPGSDIMRADYIPSHRHSTIIVPSYRPTPDYETVMRQMKRGLLHADSQSRSLRNLNIINTHAYTQPEELVYSQPEMRDRHPYTVPYAPQGGYGHKLVSPSDQMNPKNSTVPSQPGASSISHTVSTPELANMQLQGTQNYSTAHMLRNCLFRPPPPYPRPRPATSTPDLASHRHKYVSGSSPDLVTRKVQLSVKTFQEDSSPVVHQSLQEVSEPLTATKHHGTVNKRHSLEVMNSMVRGMEAMTLKSLNIPMARRNTLREQGPSEEAGGHEVHGLPQYHHKKTLSDATMLIHSSDSEEEEEAPEAVPQIPVLREKVEYSAQLQAALARIPNRPPPEYPGPRKSVSNGALRQDQGTLLPAVARARVLRHGPSKALSVSRAEQLAVNGASLGPSISEPDLTSVKERVKKEPVKERPVSEMFSLEDSIIEREMMTRNLEKQKMAGLDPQRRPLMLAALNGLSVARVPGREDSRQDATRVPIDDRLRALKKKLEEGMVFTEYEQIPNKKANGVFSTATLPENAERSRIREVVPYEENRVELIPTKENNTGYINASHIKVVVGGAEWHYIATQGPLPHTCHDFWQMVWEQGVNVIAMVTAEEEGGRTKSHRYWPKLGSKHSSATYGKFKVTTKFRTDSGCYATTGLKVKHLLSGQERTVWHLQYTDWPHHGCPEDVQGFLSYLEEIQSVRRHTNSVLEGIKTRHPPIVVHCSAGVGRTGVVILSELMIYCLEHNEKVEVPTMLRFLREQRMFMIQTIAQYKFVYQVLVQFLQNSRLI
					

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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	30.2	Very low	33.5	Very low	238 Å²	238	184.4 Å²	184.4	100%	1.172	89%	0.89	S	S	*	*				0	146.5	0	-68.3	-175.2	-77.6	0	0	109.2
2	P	43	Very low	33.3	Very low	110 Å²	110	188.5 Å²	188.5	71%	0.714	89%	0.889	S	S	*	*			trans	-85.4	146.3	174.1	34.7	-33.1	0	0	0	111.7
3	F	34.8	Very low	33.2	Very low	205 Å²	205	191.7 Å²	191.7	90%	0.899	89%	0.89	S	S	*	*			trans	172.8	90.6	138	-91.8	-56.7	0	0	0	110.1
4	G	31.4	Very low	32.8	Very low	77 Å²	77	187.2 Å²	187.2	79%	0.794	88%	0.876	S	S	*	*			trans	-94.6	96.3	176.4	0	0	0	0	0	112.3	K6	G4-K6 PolarHBondContact O-N 3.22Å
5	L	35.4	Very low	33.2	Very low	171 Å²	171	183.1 Å²	183.1	90%	0.895	87%	0.868	S	S	*	*			trans	-75.1	108.7	176.4	-80.2	167.3	0	0	0	111.4	L7	L5-L7 PolarHBondContact O-N 3.31Å
6	K	34	Very low	33.6	Very low	203 Å²	203	178.7 Å²	178.7	88%	0.883	85%	0.851	S	S	*	*			trans	-76.1	115.6	175.1	-68.4	179.9	179.7	175.7	0	110.4	G4 R8	G4-K6 PolarHBondContact O-N 3.22Å; K6-R8 PolarHBondContact O-N 3.33Å
7	L	34.9	Very low	34.4	Very low	176 Å²	176	172.9 Å²	172.9	92%	0.921	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-58.3	134.6	173.7	-81.8	163.8	0	0	0	111.4	L5	L5-L7 PolarHBondContact O-N 3.31Å
8	R	31.6	Very low	35.7	Very low	236 Å²	236	173.1 Å²	173.1	89%	0.891	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-78.1	122.1	-170.9	-159.7	177.4	-167.7	175	5.7	110	K6	K6-R8 PolarHBondContact O-N 3.33Å
9	R	32.3	Very low	37.7	Very low	241 Å²	241	168.9 Å²	168.9	91%	0.909	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-53.4	144.7	178.5	-84.3	-178.7	170.2	165.2	-3.8	112
10	T	31.2	Very low	40	Very low	131 Å²	131	163.9 Å²	163.9	80%	0.804	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-48.6	133.1	175	37.2	0	0	0	0	112.5	R12	T10-R12 PolarHBondContact O-N 3.15Å
11	R	30.1	Very low	42.3	Very low	240 Å²	240	157.4 Å²	157.4	91%	0.906	76%	0.763	S	S	*	*			trans	-66	102.4	169.4	-78.3	-179.7	168.7	174	-4.1	109.3
12	R	31.1	Very low	45.1	Very low	234 Å²	234	149.6 Å²	149.6	88%	0.883	73%	0.729	S	S	*	*			trans	-58.5	139.8	153.7	-69.2	-179.5	173.7	178.3	-4.5	107.7	T10 N14	T10-R12 PolarHBondContact O-N 3.15Å; R12-N14 PolarHBondContact O-N 3.32Å
13	Y	31.5	Very low	47.4	Very low	230 Å²	230	144.4 Å²	144.4	90%	0.902	70%	0.695	S	S	*	*			trans	-62.2	121.9	173.5	-79.2	-91.6	0	0	0	108.8
14	N	27.7	Very low	50.2	Low	129 Å²	129	139.4 Å²	139.4	69%	0.69	67%	0.67	S	S	*	*			trans	-98.2	102.8	-175.8	-160.9	-0.3	0	0	0	107.7	R12 L16	R12-N14 PolarHBondContact O-N 3.32Å; N14-L16 WeakPolarHBondContact ND2-CD1 3.46Å; N14-L16 PolarHBondContact O-N 3.06Å
15	V	39.4	Very low	53.4	Low	126 Å²	126	135.7 Å²	135.7	76%	0.764	63%	0.632	S	S	*	*			trans	-74.8	77.3	-177.8	-174.7	0	0	0	0	109.1
16	L	39.6	Very low	56.3	Low	112 Å²	112	132.2 Å²	132.2	59%	0.586	61%	0.607	S	S	*	*			trans	-114.5	45.9	177.1	-73.4	175.5	0	0	0	111.1	N14 K18	N14-L16 WeakPolarHBondContact ND2-CD1 3.46Å; N14-L16 PolarHBondContact O-N 3.06Å; L16-K18 PolarHBondContact O-N 2.64Å
17	S	46.4	Very low	59.3	Low	81 Å²	81	123.2 Å²	123.2	57%	0.566	57%	0.568	S	S	*	*			trans	-67.8	83.4	156.5	48.3	0	0	0	0	108.4	N19	S17-N19 PolarHBondContact O-N 2.85Å
18	K	57.6	Low	62.1	Low	175 Å²	175	115.3 Å²	115.3	76%	0.761	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-7.7	-166.2	-70.3	-172.7	174.9	-175.8	0	116.5	L16	L16-K18 PolarHBondContact O-N 2.64Å
19	N	74.4	Confident	64.9	Low	94 Å²	94	106.9 Å²	106.9	50%	0.503	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	27.3	-167.8	-66.4	23.2	0	0	0	113.9	S17 S38 V39	S17-N19 PolarHBondContact O-N 2.85Å; N19-S38 CarbonylContact O-C 3.54Å; N19-S38 WeakPolarHBondContact O-CA 3.4Å; N19-V39 VanDerWaalsContact C-CG2 3.48Å; N19-V39 PolarHBondContact O-N 3.32Å
20	C	83.4	Confident	67.5	Low	69 Å²	69	99.4 Å²	99.4	47%	0.466	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	159.5	172.4	-61.9	0	0	0	0	112.2	L37	C20-L37 CarbonylContact C-O 3.6Å; C20-L37 VanDerWaalsContact CA-O 3.25Å; C20-L37 WeakPolarHBondContact CA-O 3.32Å
21	F	87.7	Confident	70.4	Confident	28 Å²	28	97.8 Å²	97.8	12%	0.123	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	160	168.7	78.7	-69.2	0	0	0	110.6	T23 L37 S38 L82 K83 L86	F21-T23 HydrophobicContact CE2-CG2 4.14Å; F21-L37 HydrophobicContact CD1-CB 4.06Å; F21-L37 HydrophobicContact CE1-CB 3.55Å; F21-L37 HydrophobicContact CE1-CD1 4.36Å; F21-L37 HydrophobicContact CZ-CB 4.09Å; F21-L37 HydrophobicContact CZ-CD1 4.09Å; F21-L37 PolarHBondContact N-O 3.12Å; F21-L37 PolarHBondContact O-N 2.73Å; F21-S38 VanDerWaalsContact CE1-O 3.3Å; F21-S38 WeakPolarHBondContact CE1-O 3.17Å; F21-L82 HydrophobicContact CZ-CB 4.26Å; F21-L82 HydrophobicContact CZ-CD2 4.13Å; F21-L82 HydrophobicContact CZ-CG 4.07Å; F21-K83 HydrophobicContact CB-CD 4.11Å; F21-K83 HydrophobicContact CD1-CB 3.94Å; F21-K83 HydrophobicContact CD1-CD 4.06Å; F21-K83 HydrophobicContact CD1-CG 4.17Å; F21-K83 HydrophobicContact CD2-CB 4.48Å; F21-K83 HydrophobicContact CD2-CG 4.23Å; F21-K83 HydrophobicContact CE1-CB 3.7Å; F21-K83 HydrophobicContact CE1-CG 4.35Å; F21-K83 HydrophobicContact CE2-CB 4.26Å; F21-K83 HydrophobicContact CE2-CG 4.4Å; F21-K83 HydrophobicContact CG-CB 4.34Å; F21-K83 HydrophobicContact CG-CD 4.01Å; F21-K83 HydrophobicContact CG-CG 4.1Å; F21-K83 HydrophobicContact CZ-CB 3.87Å; F21-K83 HydrophobicContact CZ-CG 4.47Å; F21-L86 HydrophobicContact CE2-CD1 4.28Å
22	V	88.9	Confident	73.4	Confident	73 Å²	73	89.8 Å²	89.8	44%	0.442	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.4	172.5	-174.5	0	0	0	0	108.3	E34 C35 T36	V22-E34 HydrophobicContact CG1-CB 4.01Å; V22-C35 WeakPolarHBondContact CA-O 3.32Å; V22-T36 HydrophobicContact CG2-CG2 4.45Å
23	T	91.8	Very high	76.3	Confident	1 Å²	1	80.3 Å²	80.3	1%	0.006	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	146.4	169.6	-177.6	0	0	0	0	109.6	F21 I25 C35 L37 L82 P93 L95	F21-T23 HydrophobicContact CE2-CG2 4.14Å; T23-I25 HydrophobicContact CG2-CD1 4.36Å; T23-C35 HydrophobicContact CG2-CB 4.39Å; T23-C35 PolarHBondContact N-O 3.26Å; T23-C35 PolarHBondContact O-N 3.16Å; T23-L37 HydrophobicContact CG2-CD1 4.15Å; T23-L82 HydrophobicContact CG2-CD2 4.44Å; T23-P93 PolarHBondContact OG1-O 2.9Å; T23-L95 HydrophobicContact CG2-CD1 3.9Å
24	R	94.7	Very high	79.2	Confident	100 Å²	100	74.9 Å²	74.9	38%	0.377	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	132.6	176.5	-61.1	-179.9	-60.9	177	3.2	107.9	V32 E34 E92 P93 L94 L95	R24-V32 HydrophobicContact CB-CG1 3.92Å; R24-V32 HydrophobicContact CG-CG1 4.5Å; R24-E34 HydrophobicContact CG-CG 4.29Å; R24-E34 WeakPolarHBondContact CG-OE1 3.25Å; R24-E92 IonicContact NH2-OE2 2.73Å; R24-E92 PolarHBondContact NH2-OE2 3.43Å; R24-P93 PolarHBondContact N-O 2.61Å; R24-L94 HydrophobicContact CB-CD1 3.91Å; R24-L95 PolarHBondContact O-N 2.98Å
25	I	96.6	Very high	82.2	Confident	0 Å²	0	69 Å²	69	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.2	172.4	-49.7	89.8	0	0	0	107.8	T23 V32 I33 C35 V50 L64 L95 F97	T23-I25 HydrophobicContact CG2-CD1 4.36Å; I25-V32 WeakPolarHBondContact O-CA 3.39Å; I25-I33 HydrophobicContact CB-CG1 4.06Å; I25-I33 HydrophobicContact CD1-CG1 4.39Å; I25-I33 PolarHBondContact N-O 3.43Å; I25-I33 PolarHBondContact O-N 3.42Å; I25-C35 HydrophobicContact CD1-CB 3.47Å; I25-C35 VanDerWaalsContact CD1-CB 3.47Å; I25-V50 HydrophobicContact CB-CG2 4.38Å; I25-V50 HydrophobicContact CD1-CG2 4.2Å; I25-V50 HydrophobicContact CG1-CG2 4.06Å; I25-V50 HydrophobicContact CG2-CG2 4.24Å; I25-L64 HydrophobicContact CG2-CD2 3.83Å; I25-L95 CarbonylContact C-O 3.56Å; I25-L95 WeakPolarHBondContact CA-O 3.41Å; I25-L95 HydrophobicContact CB-CB 4.36Å; I25-L95 HydrophobicContact CG1-CB 4.01Å; I25-L95 HydrophobicContact CG1-CD1 4.12Å; I25-L95 HydrophobicContact CG2-CB 4.22Å; I25-F97 HydrophobicContact CG2-CB 4.09Å
26	R	97	Very high	84.7	Confident	98 Å²	98	68 Å²	68	37%	0.37	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	128.4	166	-173.3	174.9	-64.6	158.3	4.8	109.5	N31 V32 L94 L95 F96 F97	R26-N31 CarbonylContact C-O 3.49Å; R26-N31 WeakPolarHBondContact CA-O 3.38Å; R26-V32 HydrophobicContact CB-CG2 4.2Å; R26-V32 HydrophobicContact CG-CG2 4.2Å; R26-L94 HydrophobicContact CB-CD1 4.49Å; R26-L95 PolarHBondContact N-O 2.92Å; R26-F96 HydrophobicContact CB-CD1 3.87Å; R26-F96 HydrophobicContact CB-CE1 4.23Å; R26-F96 HydrophobicContact CG-CD1 4.45Å; R26-F96 CarbonylContact O-C 3.49Å; R26-F96 WeakPolarHBondContact O-CA 3.42Å; R26-F97 PolarHBondContact O-N 2.9Å
27	L	96.6	Very high	87.1	Confident	13 Å²	13	63.4 Å²	63.4	7%	0.068	34%	0.337	C	S	.	.			trans	-87.9	175	178.7	-64.8	178.4	0	0	0	111.1	D29 S30 N31 I33 V50 L54 F97	L27-D29 WeakPolarHBondContact CB-OD1 3.07Å; L27-S30 WeakPolarHBondContact O-CA 3.08Å; L27-S30 PolarHBondContact O-N 3.16Å; L27-S30 VanDerWaalsContact O-N 3.16Å; L27-N31 HydrophobicContact CD1-CB 4.32Å; L27-N31 PolarHBondContact N-O 3.06Å; L27-I33 HydrophobicContact CD1-CD1 4.09Å; L27-I33 HydrophobicContact CD1-CG1 4.21Å; L27-I33 HydrophobicContact CD1-CG2 3.86Å; L27-I33 HydrophobicContact CD2-CD1 3.86Å; L27-I33 HydrophobicContact CD2-CG1 4.26Å; L27-I33 HydrophobicContact CG-CD1 4.19Å; L27-I33 HydrophobicContact CG-CG1 4.15Å; L27-V50 HydrophobicContact CD2-CG1 3.81Å; L27-L54 HydrophobicContact CD1-CD2 4.2Å; L27-L54 HydrophobicContact CD2-CD1 4.16Å; L27-F97 HydrophobicContact CD2-CB 4.06Å; L27-F97 HydrophobicContact CD2-CD1 4.35Å; L27-F97 HydrophobicContact CD2-CG 4.32Å
28	L	94.4	Very high	89.2	Confident	11 Å²	11	61.5 Å²	61.5	6%	0.058	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-24.9	-175.7	-70	170	0	0	0	113.4	S30 F97 Q117 L120 Q121	L28-S30 PolarHBondContact O-N 2.67Å; L28-F97 HydrophobicContact CD1-CD1 3.98Å; L28-F97 HydrophobicContact CD1-CE1 4.07Å; L28-F97 WeakPolarHBondContact CD2-O 3.4Å; L28-F97 HydrophobicContact CG-CD1 4.05Å; L28-Q117 HydrophobicContact CD1-CB 4.43Å; L28-Q117 VanDerWaalsContact CD1-O 3.24Å; L28-Q117 WeakPolarHBondContact CD1-O 3.45Å; L28-L120 HydrophobicContact CB-CB 3.77Å; L28-L120 HydrophobicContact CB-CD1 4.26Å; L28-Q121 HydrophobicContact CD1-CB 4.03Å; L28-Q121 HydrophobicContact CD2-CB 4.27Å
29	D	89.6	Confident	90.7	Very high	59 Å²	59	54.8 Å²	54.8	32%	0.316	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	7.8	165.2	63.8	-3.8	0	0	0	112.9	L27 N31 L120	L27-D29 WeakPolarHBondContact CB-OD1 3.07Å; D29-N31 VanDerWaalsContact CG-ND2 3.29Å; D29-N31 PolarHBondContact O-N 3.36Å; D29-N31 VanDerWaalsContact O-N 3.17Å; D29-N31 WeakPolarHBondContact OD1-CB 3.17Å; D29-N31 PolarHBondContact OD1-N 2.91Å; D29-N31 PolarHBondContact OD2-ND2 2.83Å; D29-L120 HydrophobicContact CB-CD1 4.08Å
30	S	87.9	Confident	91.4	Very high	84 Å²	84	56.7 Å²	56.7	59%	0.587	30%	0.303	S	S	*	.	S	Bend	trans	64.1	0.8	-172.2	-59.8	0	0	0	0	116.9	L27 L28	L27-S30 WeakPolarHBondContact O-CA 3.08Å; L27-S30 PolarHBondContact O-N 3.16Å; L27-S30 VanDerWaalsContact O-N 3.16Å; L28-S30 PolarHBondContact O-N 2.67Å
31	N	90.9	Very high	91.9	Very high	96 Å²	96	53.9 Å²	53.9	51%	0.513	28%	0.284	S	S	.	.			trans	-63	155	172.9	-78.4	-52	0	0	0	111.1	R26 L27 D29	R26-N31 CarbonylContact C-O 3.49Å; R26-N31 WeakPolarHBondContact CA-O 3.38Å; L27-N31 HydrophobicContact CD1-CB 4.32Å; L27-N31 PolarHBondContact N-O 3.06Å; D29-N31 VanDerWaalsContact CG-ND2 3.29Å; D29-N31 PolarHBondContact O-N 3.36Å; D29-N31 VanDerWaalsContact O-N 3.17Å; D29-N31 WeakPolarHBondContact OD1-CB 3.17Å; D29-N31 PolarHBondContact OD1-N 2.91Å; D29-N31 PolarHBondContact OD2-ND2 2.83Å
32	V	93.1	Very high	92.3	Very high	73 Å²	73	54.1 Å²	54.1	44%	0.442	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	116.7	179.3	-178.9	0	0	0	0	109.7	R24 I25 R26	R24-V32 HydrophobicContact CB-CG1 3.92Å; R24-V32 HydrophobicContact CG-CG1 4.5Å; I25-V32 WeakPolarHBondContact O-CA 3.39Å; R26-V32 HydrophobicContact CB-CG2 4.2Å; R26-V32 HydrophobicContact CG-CG2 4.2Å
33	I	92.7	Very high	92.6	Very high	35 Å²	35	50.6 Å²	50.6	18%	0.179	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	143.6	177.1	57.6	172.1	0	0	0	110.6	I25 L27 V50	I25-I33 HydrophobicContact CB-CG1 4.06Å; I25-I33 HydrophobicContact CD1-CG1 4.39Å; I25-I33 PolarHBondContact N-O 3.43Å; I25-I33 PolarHBondContact O-N 3.42Å; L27-I33 HydrophobicContact CD1-CD1 4.09Å; L27-I33 HydrophobicContact CD1-CG1 4.21Å; L27-I33 HydrophobicContact CD1-CG2 3.86Å; L27-I33 HydrophobicContact CD2-CD1 3.86Å; L27-I33 HydrophobicContact CD2-CG1 4.26Å; L27-I33 HydrophobicContact CG-CD1 4.19Å; L27-I33 HydrophobicContact CG-CG1 4.15Å; I33-V50 HydrophobicContact CD1-CB 4.49Å; I33-V50 HydrophobicContact CD1-CG1 4.27Å; I33-V50 HydrophobicContact CD1-CG2 4.04Å
34	E	92.5	Very high	92.8	Very high	115 Å²	115	53.6 Å²	53.6	54%	0.537	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.4	175	-56.7	-151.6	137.8	0	0	110.7	V22 R24 R53	V22-E34 HydrophobicContact CG1-CB 4.01Å; R24-E34 HydrophobicContact CG-CG 4.29Å; R24-E34 WeakPolarHBondContact CG-OE1 3.25Å; E34-R53 VanDerWaalsContact O-CZ 3.3Å; E34-R53 PolarHBondContact O-NH1 2.65Å; E34-R53 PolarHBondContact O-NH2 2.85Å
35	C	90.8	Very high	92.8	Very high	7 Å²	7	52.5 Å²	52.5	5%	0.047	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	122.1	175.1	-163.1	0	0	0	0	109.7	V22 T23 I25 L37	V22-C35 WeakPolarHBondContact CA-O 3.32Å; T23-C35 HydrophobicContact CG2-CB 4.39Å; T23-C35 PolarHBondContact N-O 3.26Å; T23-C35 PolarHBondContact O-N 3.16Å; I25-C35 HydrophobicContact CD1-CB 3.47Å; I25-C35 VanDerWaalsContact CD1-CB 3.47Å; C35-L37 HydrophobicContact CB-CG 4.45Å
36	T	91.1	Very high	92.8	Very high	103 Å²	103	52.5 Å²	52.5	63%	0.632	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	114.9	175.3	-61.4	0	0	0	0	108.5	V22	V22-T36 HydrophobicContact CG2-CG2 4.45Å
37	L	91	Very high	92.7	Very high	16 Å²	16	48 Å²	48	8%	0.084	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	160	-171.1	-68.1	172.6	0	0	0	111.3	C20 F21 T23 C35 C46 L82	C20-L37 CarbonylContact C-O 3.6Å; C20-L37 VanDerWaalsContact CA-O 3.25Å; C20-L37 WeakPolarHBondContact CA-O 3.32Å; F21-L37 HydrophobicContact CD1-CB 4.06Å; F21-L37 HydrophobicContact CE1-CB 3.55Å; F21-L37 HydrophobicContact CE1-CD1 4.36Å; F21-L37 HydrophobicContact CZ-CB 4.09Å; F21-L37 HydrophobicContact CZ-CD1 4.09Å; F21-L37 PolarHBondContact N-O 3.12Å; F21-L37 PolarHBondContact O-N 2.73Å; T23-L37 HydrophobicContact CG2-CD1 4.15Å; C35-L37 HydrophobicContact CB-CG 4.45Å; L37-C46 HydrophobicContact CD1-CB 3.72Å; L37-L82 HydrophobicContact CD1-CD2 3.7Å
38	S	91.1	Very high	92.7	Very high	42 Å²	42	52 Å²	52	29%	0.294	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	159	170.5	84	0	0	0	0	110.9	N19 F21 E40 S41	N19-S38 CarbonylContact O-C 3.54Å; N19-S38 WeakPolarHBondContact O-CA 3.4Å; F21-S38 VanDerWaalsContact CE1-O 3.3Å; F21-S38 WeakPolarHBondContact CE1-O 3.17Å; S38-E40 PolarHBondContact O-N 2.89Å; S38-E40 PolarHBondContact OG-N 2.87Å; S38-S41 PolarHBondContact N-OG 2.96Å; S38-S41 WeakPolarHBondContact O-CB 3.45Å; S38-S41 PolarHBondContact O-N 3.04Å; S38-S41 WeakPolarHBondContact OG-CB 3.17Å; S38-S41 PolarHBondContact OG-N 2.89Å; S38-S41 PolarHBondContact OG-OG 3.35Å
39	V	88.6	Confident	92.6	Very high	33 Å²	33	52.8 Å²	52.8	20%	0.2	29%	0.289	C	S	.	.	S	Bend	trans	-62.2	-20.9	173.7	167.5	0	0	0	0	112.5	N19 K83	N19-V39 VanDerWaalsContact C-CG2 3.48Å; N19-V39 PolarHBondContact O-N 3.32Å; V39-K83 HydrophobicContact CB-CD 4.44Å; V39-K83 HydrophobicContact CG1-CD 4.35Å; V39-K83 HydrophobicContact CG2-CD 3.82Å
40	E	89.8	Confident	92.9	Very high	134 Å²	134	50 Å²	50	63%	0.626	27%	0.274	S	S	*	.	S	Bend	trans	-94.8	-19.7	-180	-71.4	162.2	-156.2	0	0	112.5	S38	S38-E40 PolarHBondContact O-N 2.89Å; S38-E40 PolarHBondContact OG-N 2.87Å
41	S	93.6	Very high	93.2	Very high	10 Å²	10	46.1 Å²	46.1	7%	0.07	25%	0.248	C	C	.	.			trans	-58.7	134.9	-174.6	-75.3	0	0	0	0	112.8	S38 E45 P81 L82	S38-S41 PolarHBondContact N-OG 2.96Å; S38-S41 WeakPolarHBondContact O-CB 3.45Å; S38-S41 PolarHBondContact O-N 3.04Å; S38-S41 WeakPolarHBondContact OG-CB 3.17Å; S38-S41 PolarHBondContact OG-N 2.89Å; S38-S41 PolarHBondContact OG-OG 3.35Å; S41-E45 WeakPolarHBondContact CA-OE1 3.4Å; S41-E45 VanDerWaalsContact CA-OE2 3.27Å; S41-E45 WeakPolarHBondContact CA-OE2 3.27Å; S41-E45 WeakPolarHBondContact CB-OE2 3.43Å; S41-E45 PolarHBondContact OG-OE2 3.47Å; S41-P81 CarbonylContact O-C 3.43Å; S41-P81 WeakPolarHBondContact O-CA 3.33Å; S41-L82 PolarHBondContact O-N 3.24Å
42	T	96.1	Very high	93.3	Very high	33 Å²	33	49.3 Å²	49.3	20%	0.202	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-75.8	164.2	-176.6	57.8	0	0	0	0	113.3	Q44 E45 C46 L78 K80	T42-Q44 PolarHBondContact O-N 3.22Å; T42-E45 WeakPolarHBondContact CB-OE1 3.25Å; T42-E45 WeakPolarHBondContact CG2-OE1 3.43Å; T42-E45 PolarHBondContact N-OE1 2.72Å; T42-E45 PolarHBondContact O-N 3.43Å; T42-E45 WeakPolarHBondContact OG1-CG 3.38Å; T42-E45 PolarHBondContact OG1-N 3.18Å; T42-E45 VanDerWaalsContact OG1-N 3.14Å; T42-E45 PolarHBondContact OG1-OE1 2.95Å; T42-C46 PolarHBondContact O-N 3.39Å; T42-L78 WeakPolarHBondContact CB-O 3.49Å; T42-K80 CarbonylContact C-O 3.58Å; T42-K80 VanDerWaalsContact CA-O 3.3Å; T42-K80 WeakPolarHBondContact CA-O 3.3Å
43	G	94.9	Very high	93.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.7	-30.9	167.8	0	0	0	0	0	112.4	C46 L47 L78 K80	G43-C46 WeakPolarHBondContact O-CB 3.43Å; G43-C46 PolarHBondContact O-N 3.18Å; G43-L47 PolarHBondContact O-N 3.37Å; G43-L78 CarbonylContact C-O 3.57Å; G43-L78 WeakPolarHBondContact CA-O 3.35Å; G43-L78 PolarHBondContact N-O 2.88Å; G43-K80 PolarHBondContact N-O 3.24Å
44	Q	95.9	Very high	93.2	Very high	63 Å²	63	52 Å²	52	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-62.9	-49.5	174.3	-176.6	61.6	25.5	0	0	112	T42 C46 L47 E48 L78	T42-Q44 PolarHBondContact O-N 3.22Å; Q44-C46 PolarHBondContact O-N 3.07Å; Q44-L47 PolarHBondContact O-N 3.5Å; Q44-L47 VanDerWaalsContact O-N 3.1Å; Q44-E48 WeakPolarHBondContact CG-OE1 3.45Å; Q44-E48 PolarHBondContact NE2-OE1 2.96Å; Q44-E48 WeakPolarHBondContact O-CG 3.38Å; Q44-E48 PolarHBondContact O-N 3.04Å; Q44-L78 HydrophobicContact CB-CB 4.27Å; Q44-L78 PolarHBondContact N-O 3.11Å
45	E	94.6	Very high	93.2	Very high	77 Å²	77	53.7 Å²	53.7	36%	0.36	27%	0.27	S	S	.	.	H	α-helix	trans	-57	-36.7	174.3	-75.6	157.1	-106.6	0	0	112.5	S41 T42 A49	S41-E45 WeakPolarHBondContact CA-OE1 3.4Å; S41-E45 VanDerWaalsContact CA-OE2 3.27Å; S41-E45 WeakPolarHBondContact CA-OE2 3.27Å; S41-E45 WeakPolarHBondContact CB-OE2 3.43Å; S41-E45 PolarHBondContact OG-OE2 3.47Å; T42-E45 WeakPolarHBondContact CB-OE1 3.25Å; T42-E45 WeakPolarHBondContact CG2-OE1 3.43Å; T42-E45 PolarHBondContact N-OE1 2.72Å; T42-E45 PolarHBondContact O-N 3.43Å; T42-E45 WeakPolarHBondContact OG1-CG 3.38Å; T42-E45 PolarHBondContact OG1-N 3.18Å; T42-E45 VanDerWaalsContact OG1-N 3.14Å; T42-E45 PolarHBondContact OG1-OE1 2.95Å; E45-A49 WeakPolarHBondContact O-CB 3.49Å; E45-A49 PolarHBondContact O-N 3.06Å
46	C	95.8	Very high	93.4	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66.9	-45.8	175.3	-169.9	0	0	0	0	111.5	L37 T42 G43 Q44 E48 A49 V50 L64 L82	L37-C46 HydrophobicContact CD1-CB 3.72Å; T42-C46 PolarHBondContact O-N 3.39Å; G43-C46 WeakPolarHBondContact O-CB 3.43Å; G43-C46 PolarHBondContact O-N 3.18Å; Q44-C46 PolarHBondContact O-N 3.07Å; C46-E48 VanDerWaalsContact C-N 3.33Å; C46-E48 PolarHBondContact O-N 3.36Å; C46-A49 PolarHBondContact O-N 3.39Å; C46-V50 WeakPolarHBondContact O-CG2 3.3Å; C46-V50 PolarHBondContact O-N 2.84Å; C46-L64 HydrophobicContact CB-CD1 3.78Å; C46-L82 HydrophobicContact CB-CD2 3.59Å
47	L	96.8	Very high	93.4	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-39.5	177.1	179.6	63	0	0	0	111.6	G43 Q44 V50 A51 F62 L64 L78 F97	G43-L47 PolarHBondContact O-N 3.37Å; Q44-L47 PolarHBondContact O-N 3.5Å; Q44-L47 VanDerWaalsContact O-N 3.1Å; L47-V50 PolarHBondContact O-N 2.76Å; L47-A51 WeakPolarHBondContact O-CB 3.42Å; L47-A51 PolarHBondContact O-N 3.32Å; L47-F62 HydrophobicContact CD1-CB 4.31Å; L47-L64 HydrophobicContact CB-CD1 4.12Å; L47-L64 HydrophobicContact CB-CG 4.4Å; L47-L64 HydrophobicContact CD1-CG 4.24Å; L47-L78 HydrophobicContact CB-CD2 4.29Å; L47-L78 HydrophobicContact CD2-CD1 3.75Å; L47-L78 HydrophobicContact CD2-CD2 4.16Å; L47-F97 HydrophobicContact CD1-CD2 4.06Å; L47-F97 HydrophobicContact CD1-CE2 3.76Å
48	E	95.1	Very high	93.5	Very high	98 Å²	98	58.8 Å²	58.8	46%	0.458	28%	0.277	S	S	.	.	H	α-helix	trans	-65.6	-40.2	175.1	-73.4	171.5	-170.8	0	0	112.1	Q44 C46 V50 A51 Q52	Q44-E48 WeakPolarHBondContact CG-OE1 3.45Å; Q44-E48 PolarHBondContact NE2-OE1 2.96Å; Q44-E48 WeakPolarHBondContact O-CG 3.38Å; Q44-E48 PolarHBondContact O-N 3.04Å; C46-E48 VanDerWaalsContact C-N 3.33Å; C46-E48 PolarHBondContact O-N 3.36Å; E48-V50 VanDerWaalsContact C-N 3.31Å; E48-V50 PolarHBondContact O-N 2.82Å; E48-A51 PolarHBondContact O-N 3.12Å; E48-Q52 WeakPolarHBondContact O-CB 3.23Å; E48-Q52 PolarHBondContact O-N 3.4Å
49	A	93.6	Very high	93.7	Very high	26 Å²	26	58.3 Å²	58.3	22%	0.215	27%	0.272	C	S	.	.	H	α-helix	trans	-67.1	-28.9	173.9	0	0	0	0	0	113.3	E45 C46 R53	E45-A49 WeakPolarHBondContact O-CB 3.49Å; E45-A49 PolarHBondContact O-N 3.06Å; C46-A49 PolarHBondContact O-N 3.39Å; A49-R53 WeakPolarHBondContact O-CD 3.03Å; A49-R53 WeakPolarHBondContact O-CG 3.46Å
50	V	95.4	Very high	93.9	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-73.5	-49	170.2	174	0	0	0	0	110.3	I25 L27 I33 C46 L47 E48 Q52 R53 L54 L64 F97	I25-V50 HydrophobicContact CB-CG2 4.38Å; I25-V50 HydrophobicContact CD1-CG2 4.2Å; I25-V50 HydrophobicContact CG1-CG2 4.06Å; I25-V50 HydrophobicContact CG2-CG2 4.24Å; L27-V50 HydrophobicContact CD2-CG1 3.81Å; I33-V50 HydrophobicContact CD1-CB 4.49Å; I33-V50 HydrophobicContact CD1-CG1 4.27Å; I33-V50 HydrophobicContact CD1-CG2 4.04Å; C46-V50 WeakPolarHBondContact O-CG2 3.3Å; C46-V50 PolarHBondContact O-N 2.84Å; L47-V50 PolarHBondContact O-N 2.76Å; E48-V50 VanDerWaalsContact C-N 3.31Å; E48-V50 PolarHBondContact O-N 2.82Å; V50-Q52 VanDerWaalsContact C-N 3.32Å; V50-Q52 PolarHBondContact O-N 3.18Å; V50-R53 WeakPolarHBondContact O-CB 3.47Å; V50-R53 PolarHBondContact O-N 3.01Å; V50-L54 HydrophobicContact CG1-CD1 3.94Å; V50-L54 PolarHBondContact O-N 2.65Å; V50-L64 HydrophobicContact CG2-CD2 4.39Å; V50-F97 HydrophobicContact CG1-CB 4.49Å; V50-F97 HydrophobicContact CG1-CD2 3.67Å; V50-F97 HydrophobicContact CG1-CE2 3.99Å; V50-F97 HydrophobicContact CG1-CG 4.05Å
51	A	94.4	Very high	94.1	Very high	4 Å²	4	55.6 Å²	55.6	3%	0.033	26%	0.257	C	S	.	.	H	α-helix	trans	-59	-39.8	179.4	0	0	0	0	0	113	L47 E48 R53 L54 E55 L56 T59	L47-A51 WeakPolarHBondContact O-CB 3.42Å; L47-A51 PolarHBondContact O-N 3.32Å; E48-A51 PolarHBondContact O-N 3.12Å; A51-R53 PolarHBondContact O-N 3.39Å; A51-L54 CarbonylContact O-C 3.6Å; A51-L54 PolarHBondContact O-N 2.64Å; A51-L54 VanDerWaalsContact O-N 3.11Å; A51-E55 PolarHBondContact O-N 2.78Å; A51-L56 HydrophobicContact CB-CB 4.07Å; A51-L56 PolarHBondContact O-N 2.85Å; A51-T59 HydrophobicContact CB-CG2 3.43Å; A51-T59 VanDerWaalsContact CB-CG2 3.43Å
52	Q	92	Very high	94.3	Very high	162 Å²	162	55.2 Å²	55.2	76%	0.757	25%	0.254	S	S	*	.	H	α-helix	trans	-61.3	-33.2	175.9	-173.7	179.2	3.5	0	0	112.3	E48 V50	E48-Q52 WeakPolarHBondContact O-CB 3.23Å; E48-Q52 PolarHBondContact O-N 3.4Å; V50-Q52 VanDerWaalsContact C-N 3.32Å; V50-Q52 PolarHBondContact O-N 3.18Å
53	R	91.8	Very high	94.4	Very high	134 Å²	134	53.6 Å²	53.6	51%	0.506	24%	0.244	S	C	.	.	H	α-helix	trans	-78	-21.7	176.6	-69.7	167.6	167.3	172.9	-9.7	113.3	E34 A49 V50 A51	E34-R53 VanDerWaalsContact O-CZ 3.3Å; E34-R53 PolarHBondContact O-NH1 2.65Å; E34-R53 PolarHBondContact O-NH2 2.85Å; A49-R53 WeakPolarHBondContact O-CD 3.03Å; A49-R53 WeakPolarHBondContact O-CG 3.46Å; V50-R53 WeakPolarHBondContact O-CB 3.47Å; V50-R53 PolarHBondContact O-N 3.01Å; A51-R53 PolarHBondContact O-N 3.39Å
54	L	91.9	Very high	94.5	Very high	30 Å²	30	53.7 Å²	53.7	16%	0.157	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	7.2	176.8	-61.3	176.8	0	0	0	112.9	L27 V50 A51 L56 F97 Q117	L27-L54 HydrophobicContact CD1-CD2 4.2Å; L27-L54 HydrophobicContact CD2-CD1 4.16Å; V50-L54 HydrophobicContact CG1-CD1 3.94Å; V50-L54 PolarHBondContact O-N 2.65Å; A51-L54 CarbonylContact O-C 3.6Å; A51-L54 PolarHBondContact O-N 2.64Å; A51-L54 VanDerWaalsContact O-N 3.11Å; L54-L56 HydrophobicContact CB-CD1 3.88Å; L54-L56 HydrophobicContact CB-CG 3.78Å; L54-L56 HydrophobicContact CD1-CD1 3.84Å; L54-L56 PolarHBondContact O-N 3.38Å; L54-F97 HydrophobicContact CD1-CD1 4.01Å; L54-F97 HydrophobicContact CD1-CE1 3.54Å; L54-F97 HydrophobicContact CD1-CE2 4.44Å; L54-F97 HydrophobicContact CD1-CZ 3.79Å; L54-Q117 HydrophobicContact CD1-CG 4.5Å
55	E	93.3	Very high	94.5	Very high	152 Å²	152	53 Å²	53	71%	0.71	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	19.8	-172.2	-55.7	-161.1	175.7	0	0	115.8	A51 Q111	A51-E55 PolarHBondContact O-N 2.78Å; E55-Q111 PolarHBondContact O-NE2 3.46Å
56	L	93.6	Very high	94.5	Very high	12 Å²	12	49.3 Å²	49.3	6%	0.063	22%	0.222	C	C	.	.			trans	-71.9	128.6	-175	-69.6	172.5	0	0	0	112.4	A51 L54 T59 F62 F97 A113 Q117	A51-L56 HydrophobicContact CB-CB 4.07Å; A51-L56 PolarHBondContact O-N 2.85Å; L54-L56 HydrophobicContact CB-CD1 3.88Å; L54-L56 HydrophobicContact CB-CG 3.78Å; L54-L56 HydrophobicContact CD1-CD1 3.84Å; L54-L56 PolarHBondContact O-N 3.38Å; L56-T59 HydrophobicContact CB-CG2 4.35Å; L56-T59 WeakPolarHBondContact O-CG2 3.38Å; L56-F62 HydrophobicContact CD1-CD2 4.09Å; L56-F62 HydrophobicContact CD1-CE2 3.93Å; L56-F62 HydrophobicContact CD1-CZ 4.28Å; L56-F62 HydrophobicContact CD2-CE2 4.09Å; L56-F62 HydrophobicContact CD2-CZ 4.3Å; L56-F97 HydrophobicContact CD1-CE1 4.26Å; L56-F97 HydrophobicContact CD1-CE2 4.49Å; L56-F97 HydrophobicContact CD1-CZ 3.59Å; L56-A113 HydrophobicContact CD2-CB 4Å; L56-A113 WeakPolarHBondContact CD2-O 3.34Å; L56-Q117 HydrophobicContact CD1-CG 4.34Å; L56-Q117 HydrophobicContact CD2-CG 4.22Å
57	R	92	Very high	94.4	Very high	207 Å²	207	52.3 Å²	52.3	78%	0.781	24%	0.238	S	C	*	.	S	Bend	trans	-102.6	-34.4	173.4	-55.1	176.4	-173.2	-176.1	3.2	112.2	T59 Q111	R57-T59 PolarHBondContact O-N 3.06Å; R57-Q111 VanDerWaalsContact CB-OE1 3.22Å
58	E	93.8	Very high	94.1	Very high	13 Å²	13	52.2 Å²	52.2	6%	0.061	24%	0.237	C	C	.	.			trans	-84.2	49.8	176.4	-60.9	168	117.7	0	0	111	H60 Y61 H110 Q111 T114	E58-H60 PolarHBondContact O-N 2.72Å; E58-Y61 HydrophobicContact CB-CD2 3.86Å; E58-Y61 HydrophobicContact CB-CE2 3.94Å; E58-Y61 PolarHBondContact O-N 3.34Å; E58-H110 WeakPolarHBondContact OE1-CB 3.49Å; E58-H110 IonicContact OE1-CG 2.65Å; E58-H110 PolarHBondContact OE1-N 3.31Å; E58-H110 IonicContact OE1-ND1 2.84Å; E58-H110 PolarHBondContact OE1-ND1 3.29Å; E58-H110 PolarHBondContact OE2-N 3.21Å; E58-Q111 WeakPolarHBondContact OE2-CB 3.46Å; E58-Q111 PolarHBondContact OE2-N 3.1Å; E58-T114 HydrophobicContact CB-CG2 4.05Å; E58-T114 WeakPolarHBondContact OE2-CB 3.49Å; E58-T114 PolarHBondContact OE2-OG1 3.09Å
59	T	93.8	Very high	93.7	Very high	32 Å²	32	53.4 Å²	53.4	20%	0.196	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-60.8	-21.7	-172.8	62	0	0	0	0	113.8	A51 L56 R57 Y61 F62	A51-T59 HydrophobicContact CB-CG2 3.43Å; A51-T59 VanDerWaalsContact CB-CG2 3.43Å; L56-T59 HydrophobicContact CB-CG2 4.35Å; L56-T59 WeakPolarHBondContact O-CG2 3.38Å; R57-T59 PolarHBondContact O-N 3.06Å; T59-Y61 PolarHBondContact O-N 3.08Å; T59-F62 PolarHBondContact O-N 3.03Å; T59-F62 VanDerWaalsContact O-N 3.08Å
60	H	92.8	Very high	93.4	Very high	100 Å²	100	55.5 Å²	55.5	46%	0.463	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-68.5	-13.1	-176.1	56.7	-96.8	0	0	0	114.8	E58 F101 F301	E58-H60 PolarHBondContact O-N 2.72Å; H60-F101 WeakPolarHBondContact O-CD2 3.5Å; H60-F101 WeakPolarHBondContact O-CE2 3.36Å; H60-F301 HydrophobicContact CB-CE2 4.3Å; H60-F301 AromaticContact CD2-CE2 3.94Å; H60-F301 VanDerWaalsContact O-CE2 3.27Å; H60-F301 WeakPolarHBondContact O-CE2 3.24Å
61	Y	95.8	Very high	93	Very high	10 Å²	10	60.8 Å²	60.8	4%	0.039	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-80.6	-18.8	170.5	-65	-64	0	0	0	113.4	E58 T59 M100 F101 V103 W108 L109 T114 F301	E58-Y61 HydrophobicContact CB-CD2 3.86Å; E58-Y61 HydrophobicContact CB-CE2 3.94Å; E58-Y61 PolarHBondContact O-N 3.34Å; T59-Y61 PolarHBondContact O-N 3.08Å; Y61-M100 PolarHBondContact O-N 2.87Å; Y61-F101 PolarHBondContact O-N 3.25Å; Y61-V103 HydrophobicContact CD1-CG1 3.99Å; Y61-V103 HydrophobicContact CE1-CG1 3.39Å; Y61-W108 PolarHBondContact OH-O 2.9Å; Y61-L109 HydrophobicContact CD1-CD2 4.47Å; Y61-L109 HydrophobicContact CD2-CD2 3.83Å; Y61-L109 HydrophobicContact CE1-CD2 4.33Å; Y61-L109 HydrophobicContact CE2-CD2 3.65Å; Y61-L109 HydrophobicContact CG-CD2 4.25Å; Y61-T114 HydrophobicContact CD2-CG2 4.08Å; Y61-F301 HydrophobicContact CD1-CE1 4.5Å; Y61-F301 AromaticContact CD1-CZ 3.82Å; Y61-F301 HydrophobicContact CD1-CZ 3.82Å; Y61-F301 HydrophobicContact CE1-CE1 4.43Å; Y61-F301 AromaticContact CE1-CZ 3.83Å; Y61-F301 HydrophobicContact CE1-CZ 3.83Å
62	F	97.5	Very high	92.6	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.009	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	164	-169.1	-57.9	-84	0	0	0	112.8	L47 L56 T59 F97 G98 V99 T114 Q117	L47-F62 HydrophobicContact CD1-CB 4.31Å; L56-F62 HydrophobicContact CD1-CD2 4.09Å; L56-F62 HydrophobicContact CD1-CE2 3.93Å; L56-F62 HydrophobicContact CD1-CZ 4.28Å; L56-F62 HydrophobicContact CD2-CE2 4.09Å; L56-F62 HydrophobicContact CD2-CZ 4.3Å; T59-F62 PolarHBondContact O-N 3.03Å; T59-F62 VanDerWaalsContact O-N 3.08Å; F62-F97 HydrophobicContact CB-CE2 3.59Å; F62-F97 HydrophobicContact CB-CZ 3.7Å; F62-F97 AromaticContact CD1-CE1 3.81Å; F62-F97 HydrophobicContact CD1-CE1 3.81Å; F62-F97 HydrophobicContact CD1-CE2 4.13Å; F62-F97 AromaticContact CD1-CZ 3.38Å; F62-F97 HydrophobicContact CD1-CZ 3.38Å; F62-F97 HydrophobicContact CD2-CZ 4.25Å; F62-F97 HydrophobicContact CE1-CE1 4.19Å; F62-F97 HydrophobicContact CE1-CZ 4.05Å; F62-F97 HydrophobicContact CG-CE1 4.38Å; F62-F97 AromaticContact CG-CE2 3.96Å; F62-F97 HydrophobicContact CG-CE2 3.96Å; F62-F97 AromaticContact CG-CZ 3.51Å; F62-F97 HydrophobicContact CG-CZ 3.51Å; F62-G98 CarbonylContact C-O 3.44Å; F62-G98 WeakPolarHBondContact CA-O 3.1Å; F62-V99 HydrophobicContact CD1-CG2 4.11Å; F62-V99 HydrophobicContact CE1-CG2 3.87Å; F62-T114 HydrophobicContact CE2-CG2 4Å; F62-T114 HydrophobicContact CZ-CG2 4.08Å; F62-Q117 HydrophobicContact CE1-CB 3.73Å; F62-Q117 HydrophobicContact CZ-CB 3.83Å
63	G	97.3	Very high	92.6	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	-179	174.1	0	0	0	0	0	112.2	G98	G63-G98 PolarHBondContact N-O 3.45Å; G63-G98 PolarHBondContact O-N 3.41Å
64	L	97.3	Very high	92.6	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	140.1	171.5	-62.9	169.6	0	0	0	108.3	I25 C46 L47 V50 V76 L95 F96 F97	I25-L64 HydrophobicContact CG2-CD2 3.83Å; C46-L64 HydrophobicContact CB-CD1 3.78Å; L47-L64 HydrophobicContact CB-CD1 4.12Å; L47-L64 HydrophobicContact CB-CG 4.4Å; L47-L64 HydrophobicContact CD1-CG 4.24Å; V50-L64 HydrophobicContact CG2-CD2 4.39Å; L64-V76 HydrophobicContact CB-CB 4.17Å; L64-V76 HydrophobicContact CB-CG2 3.86Å; L64-V76 WeakPolarHBondContact O-CB 3.38Å; L64-V76 WeakPolarHBondContact O-CG2 3.39Å; L64-V76 PolarHBondContact O-N 3.01Å; L64-L95 HydrophobicContact CB-CD2 4.44Å; L64-L95 HydrophobicContact CD1-CD1 4.4Å; L64-F96 CarbonylContact C-O 3.58Å; L64-F96 WeakPolarHBondContact CA-O 3.44Å; L64-F97 HydrophobicContact CD2-CB 4.3Å; L64-F97 HydrophobicContact CD2-CD2 4.21Å
65	W	95.7	Very high	92.8	Very high	49 Å²	49	53.3 Å²	53.3	19%	0.186	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	164.8	173.3	64.3	-90.2	0	0	0	111.8	L67 A73 R74 W75 L95 F96	W65-L67 HydrophobicContact CZ3-CD2 4.04Å; W65-L67 HydrophobicContact CZ3-CG 4.28Å; W65-A73 HydrophobicContact CE3-CB 3.8Å; W65-A73 HydrophobicContact CZ3-CB 3.91Å; W65-R74 CarbonylContact C-O 3.46Å; W65-R74 VanDerWaalsContact CA-O 3.28Å; W65-R74 WeakPolarHBondContact CA-O 3.44Å; W65-R74 WeakPolarHBondContact CB-O 3.49Å; W65-W75 HydrophobicContact CB-CD2 4.13Å; W65-W75 HydrophobicContact CB-CE3 3.89Å; W65-W75 HydrophobicContact CB-CZ3 4.29Å; W65-W75 AromaticContact CD1-CH2 3.89Å; W65-W75 AromaticContact CD1-CZ3 3.74Å; W65-W75 HydrophobicContact CG-CE3 4.47Å; W65-W75 HydrophobicContact CG-CZ3 4.41Å; W65-L95 CarbonylContact O-C 3.58Å; W65-L95 WeakPolarHBondContact O-CA 3.39Å; W65-F96 HydrophobicContact CD2-CB 3.68Å; W65-F96 HydrophobicContact CD2-CD2 4.07Å; W65-F96 HydrophobicContact CD2-CG 4.13Å; W65-F96 AromaticContact CE2-CG 3.85Å; W65-F96 HydrophobicContact CE3-CB 4.24Å; W65-F96 AromaticContact CE3-CD2 3.73Å; W65-F96 HydrophobicContact CE3-CD2 3.73Å; W65-F96 HydrophobicContact CE3-CE2 4.43Å; W65-F96 HydrophobicContact CE3-CG 4.2Å; W65-F96 HydrophobicContact CG-CB 4.1Å; W65-F96 HydrophobicContact CH2-CB 4.17Å; W65-F96 HydrophobicContact CH2-CD1 4.09Å; W65-F96 AromaticContact CH2-CD2 3.79Å; W65-F96 HydrophobicContact CH2-CD2 3.79Å; W65-F96 HydrophobicContact CH2-CE1 4.43Å; W65-F96 HydrophobicContact CH2-CE2 4.17Å; W65-F96 AromaticContact CH2-CG 3.75Å; W65-F96 HydrophobicContact CH2-CG 3.75Å; W65-F96 HydrophobicContact CH2-CZ 4.47Å; W65-F96 HydrophobicContact CZ2-CB 3.59Å; W65-F96 HydrophobicContact CZ2-CD1 4.06Å; W65-F96 HydrophobicContact CZ2-CD2 4.12Å; W65-F96 AromaticContact CZ2-CG 3.67Å; W65-F96 HydrophobicContact CZ2-CG 3.67Å; W65-F96 HydrophobicContact CZ3-CB 4.46Å; W65-F96 AromaticContact CZ3-CD2 3.58Å; W65-F96 HydrophobicContact CZ3-CD2 3.58Å; W65-F96 AromaticContact CZ3-CE2 3.93Å; W65-F96 HydrophobicContact CZ3-CE2 3.93Å; W65-F96 HydrophobicContact CZ3-CG 4.02Å; W65-F96 PolarHBondContact N-O 3.48Å; W65-F96 PolarHBondContact O-N 3.09Å
66	F	95.1	Very high	92.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	161	179	60	-86.2	0	0	0	111.1	A73 R74 V76 H85 L86 L89 A90 L95	F66-A73 WeakPolarHBondContact O-CA 3.49Å; F66-R74 WeakPolarHBondContact CD1-O 3.08Å; F66-R74 HydrophobicContact CE1-CB 4.39Å; F66-R74 HydrophobicContact CE2-CB 4.3Å; F66-R74 HydrophobicContact CZ-CB 4.06Å; F66-R74 PolarHBondContact N-O 3Å; F66-R74 PolarHBondContact O-N 3.48Å; F66-V76 HydrophobicContact CD1-CG2 3.84Å; F66-V76 HydrophobicContact CE1-CG2 4.2Å; F66-H85 AromaticContact CE1-CE1 3.82Å; F66-H85 AromaticContact CZ-NE2 3.88Å; F66-L86 HydrophobicContact CB-CD2 4.23Å; F66-L86 HydrophobicContact CD1-CD2 4.11Å; F66-L86 HydrophobicContact CG-CD2 4.06Å; F66-L89 HydrophobicContact CE2-CB 3.74Å; F66-L89 HydrophobicContact CZ-CB 3.88Å; F66-L89 HydrophobicContact CZ-CD1 4.41Å; F66-A90 HydrophobicContact CB-CB 4.46Å; F66-A90 HydrophobicContact CD2-CB 3.51Å; F66-A90 HydrophobicContact CE2-CB 4.01Å; F66-A90 HydrophobicContact CG-CB 4.15Å; F66-L95 HydrophobicContact CB-CD2 4.24Å
67	L	93.4	Very high	92.9	Very high	63 Å²	63	47.8 Å²	47.8	33%	0.33	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	122.1	168.1	-67.6	174.2	0	0	0	109.7	W65 N91 F96	W65-L67 HydrophobicContact CZ3-CD2 4.04Å; W65-L67 HydrophobicContact CZ3-CG 4.28Å; L67-N91 PolarHBondContact O-N 3.08Å; L67-F96 HydrophobicContact CG-CE2 4.39Å
68	S	90.7	Very high	92.9	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	168.5	175.9	75.1	0	0	0	0	111.8	S70 Q71 Q72 L89	S68-S70 PolarHBondContact O-N 3Å; S68-S70 VanDerWaalsContact O-N 3.09Å; S68-S70 PolarHBondContact OG-N 2.86Å; S68-S70 VanDerWaalsContact OG-N 3.08Å; S68-S70 PolarHBondContact OG-OG 2.75Å; S68-Q71 WeakPolarHBondContact O-CA 3.41Å; S68-Q71 PolarHBondContact O-N 2.93Å; S68-Q71 PolarHBondContact OG-N 3.49Å; S68-Q72 WeakPolarHBondContact CB-O 3.38Å; S68-Q72 PolarHBondContact N-O 3.44Å; S68-Q72 PolarHBondContact OG-N 3.49Å; S68-Q72 PolarHBondContact OG-O 3.33Å; S68-L89 CarbonylContact C-O 3.54Å; S68-L89 VanDerWaalsContact CA-O 3.26Å; S68-L89 WeakPolarHBondContact CA-O 3.45Å
69	K	87.4	Confident	92.8	Very high	124 Å²	124	46.5 Å²	46.5	54%	0.539	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-13.6	169.1	-65.7	169.8	-173	171.5	0	113.8	D87 K88 L89 A90	K69-D87 PolarHBondContact NZ-O 3.13Å; K69-K88 WeakPolarHBondContact CE-O 3.41Å; K69-K88 PolarHBondContact NZ-O 2.93Å; K69-L89 PolarHBondContact N-O 3.25Å; K69-A90 WeakPolarHBondContact CE-O 3.48Å; K69-A90 WeakPolarHBondContact CG-O 3.32Å
70	S	85.9	Confident	92.7	Very high	69 Å²	69	49 Å²	49	48%	0.483	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	13.4	170.9	54.2	0	0	0	0	113.6	S68 Q72	S68-S70 PolarHBondContact O-N 3Å; S68-S70 VanDerWaalsContact O-N 3.09Å; S68-S70 PolarHBondContact OG-N 2.86Å; S68-S70 VanDerWaalsContact OG-N 3.08Å; S68-S70 PolarHBondContact OG-OG 2.75Å; S70-Q72 PolarHBondContact O-N 2.83Å; S70-Q72 VanDerWaalsContact O-N 3.1Å; S70-Q72 PolarHBondContact OG-OE1 2.78Å; S70-Q72 VanDerWaalsContact OG-OE1 3.08Å
71	Q	86.8	Confident	92.8	Very high	112 Å²	112	46.3 Å²	46.3	52%	0.523	23%	0.233	S	C	.	.	S	Bend	trans	56.1	16.5	-173	-53.2	-57.5	-21.3	0	0	115.1	S68 N91	S68-Q71 WeakPolarHBondContact O-CA 3.41Å; S68-Q71 PolarHBondContact O-N 2.93Å; S68-Q71 PolarHBondContact OG-N 3.49Å; Q71-N91 PolarHBondContact NE2-ND2 3.13Å
72	Q	87.6	Confident	92.7	Very high	78 Å²	78	45.9 Å²	45.9	36%	0.364	23%	0.231	S	C	.	.			trans	-85.8	130.5	174.7	-68.3	171.1	-26.6	0	0	109.3	S68 S70 R74 N287	S68-Q72 WeakPolarHBondContact CB-O 3.38Å; S68-Q72 PolarHBondContact N-O 3.44Å; S68-Q72 PolarHBondContact OG-N 3.49Å; S68-Q72 PolarHBondContact OG-O 3.33Å; S70-Q72 PolarHBondContact O-N 2.83Å; S70-Q72 VanDerWaalsContact O-N 3.1Å; S70-Q72 PolarHBondContact OG-OE1 2.78Å; S70-Q72 VanDerWaalsContact OG-OE1 3.08Å; Q72-R74 PolarHBondContact O-N 2.83Å; Q72-N287 PolarHBondContact OE1-ND2 3.02Å; Q72-N287 VanDerWaalsContact OE1-ND2 3.11Å; Q72-N287 PolarHBondContact OE1-OD1 2.83Å
73	A	90.9	Very high	92.4	Very high	55 Å²	55	48.4 Å²	48.4	46%	0.455	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	129.5	170.6	0	0	0	0	0	109.9	W65 F66	W65-A73 HydrophobicContact CE3-CB 3.8Å; W65-A73 HydrophobicContact CZ3-CB 3.91Å; F66-A73 WeakPolarHBondContact O-CA 3.49Å
74	R	93.1	Very high	92.1	Very high	13 Å²	13	55 Å²	55	5%	0.049	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	131.6	177.1	-70	-173.3	177.2	175.1	-1	111.2	W65 F66 Q72 E286 N287 Y290	W65-R74 CarbonylContact C-O 3.46Å; W65-R74 VanDerWaalsContact CA-O 3.28Å; W65-R74 WeakPolarHBondContact CA-O 3.44Å; W65-R74 WeakPolarHBondContact CB-O 3.49Å; F66-R74 WeakPolarHBondContact CD1-O 3.08Å; F66-R74 HydrophobicContact CE1-CB 4.39Å; F66-R74 HydrophobicContact CE2-CB 4.3Å; F66-R74 HydrophobicContact CZ-CB 4.06Å; F66-R74 PolarHBondContact N-O 3Å; F66-R74 PolarHBondContact O-N 3.48Å; Q72-R74 PolarHBondContact O-N 2.83Å; R74-E286 IonicContact NH1-OE2 3.7Å; R74-N287 VanDerWaalsContact NH2-CG 3.34Å; R74-N287 PolarHBondContact NH2-OD1 3.03Å; R74-Y290 WeakPolarHBondContact CA-OH 3.39Å; R74-Y290 HydrophobicContact CB-CD2 4.43Å; R74-Y290 HydrophobicContact CB-CE2 3.85Å; R74-Y290 HydrophobicContact CG-CD1 4.43Å; R74-Y290 HydrophobicContact CG-CD2 4.31Å; R74-Y290 HydrophobicContact CG-CE1 4.19Å; R74-Y290 HydrophobicContact CG-CE2 4.05Å; R74-Y290 HydrophobicContact CG-CG 4.5Å
75	W	95.4	Very high	91.7	Very high	26 Å²	26	56 Å²	56	10%	0.098	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	143.7	173.1	-67	104	0	0	0	111.5	W65 V99 M100 E218 Y290 L294	W65-W75 HydrophobicContact CB-CD2 4.13Å; W65-W75 HydrophobicContact CB-CE3 3.89Å; W65-W75 HydrophobicContact CB-CZ3 4.29Å; W65-W75 AromaticContact CD1-CH2 3.89Å; W65-W75 AromaticContact CD1-CZ3 3.74Å; W65-W75 HydrophobicContact CG-CE3 4.47Å; W65-W75 HydrophobicContact CG-CZ3 4.41Å; W75-V99 VanDerWaalsContact CH2-O 3.27Å; W75-V99 WeakPolarHBondContact CH2-O 3.37Å; W75-M100 HydrophobicContact CB-CE 4.12Å; W75-M100 HydrophobicContact CD2-CE 4.49Å; W75-M100 HydrophobicContact CD2-CG 4.04Å; W75-M100 HydrophobicContact CD2-SD 4.32Å; W75-M100 HydrophobicContact CE3-CB 4.16Å; W75-M100 HydrophobicContact CE3-CG 4.03Å; W75-M100 HydrophobicContact CE3-SD 4.14Å; W75-M100 HydrophobicContact CG-CE 4.15Å; W75-M100 HydrophobicContact CH2-CB 4.03Å; W75-M100 HydrophobicContact CH2-CG 4.48Å; W75-M100 HydrophobicContact CZ2-CB 4.4Å; W75-M100 HydrophobicContact CZ2-CG 4.47Å; W75-M100 HydrophobicContact CZ3-CB 3.89Å; W75-M100 HydrophobicContact CZ3-CG 4.26Å; W75-E218 PolarHBondContact NE1-OE1 2.75Å; W75-E218 PolarHBondContact NE1-OE2 3.17Å; W75-Y290 VanDerWaalsContact CD1-OH 3.24Å; W75-Y290 PolarHBondContact N-OH 3.46Å; W75-L294 HydrophobicContact CG-CD1 4.37Å
76	V	95.1	Very high	91.5	Very high	6 Å²	6	54.2 Å²	54.2	4%	0.036	27%	0.269	C	S	.	.			trans	-71.6	128.3	174.6	172.9	0	0	0	0	109.4	L64 F66 L78 L82 L95	L64-V76 HydrophobicContact CB-CB 4.17Å; L64-V76 HydrophobicContact CB-CG2 3.86Å; L64-V76 WeakPolarHBondContact O-CB 3.38Å; L64-V76 WeakPolarHBondContact O-CG2 3.39Å; L64-V76 PolarHBondContact O-N 3.01Å; F66-V76 HydrophobicContact CD1-CG2 3.84Å; F66-V76 HydrophobicContact CE1-CG2 4.2Å; V76-L78 VanDerWaalsContact C-N 3.33Å; V76-L78 HydrophobicContact CB-CD2 4.42Å; V76-L78 HydrophobicContact CG1-CD2 4.22Å; V76-L78 PolarHBondContact O-N 3.02Å; V76-L82 HydrophobicContact CG1-CD1 3.78Å; V76-L82 HydrophobicContact CG2-CD1 4.18Å; V76-L95 HydrophobicContact CG2-CD2 3.63Å
77	E	92.8	Very high	91.3	Very high	42 Å²	42	59.1 Å²	59.1	20%	0.196	30%	0.296	C	S	.	.			trans	-71.1	89.7	169.3	-64	-175	168.8	0	0	108.7	E79 K80 H85 R293	E77-E79 PolarHBondContact O-N 3.36Å; E77-E79 VanDerWaalsContact O-N 3.14Å; E77-K80 HydrophobicContact CB-CD 4.23Å; E77-K80 HydrophobicContact CB-CG 4.47Å; E77-K80 PolarHBondContact O-N 2.84Å; E77-K80 VanDerWaalsContact OE2-CD 3.28Å; E77-K80 WeakPolarHBondContact OE2-CD 3.42Å; E77-K80 VanDerWaalsContact OE2-CE 3.3Å; E77-K80 WeakPolarHBondContact OE2-CE 3.47Å; E77-K80 IonicContact OE2-NZ 2.71Å; E77-K80 PolarHBondContact OE2-NZ 3.31Å; E77-H85 PolarHBondContact N-CE1 2.93Å; E77-R293 WeakPolarHBondContact OE1-CD 3.36Å; E77-R293 IonicContact OE1-CZ 2.73Å; E77-R293 IonicContact OE1-NE 2.6Å; E77-R293 IonicContact OE1-NH1 3.63Å; E77-R293 PolarHBondContact OE1-NH1 2.96Å; E77-R293 IonicContact OE2-NH1 2.93Å; E77-R293 PolarHBondContact OE2-NH1 2.82Å
78	L	92.9	Very high	91.1	Very high	32 Å²	32	61.6 Å²	61.6	17%	0.168	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-35.9	-168.1	-62.6	176	0	0	0	113.6	T42 G43 Q44 L47 V76 K80	T42-L78 WeakPolarHBondContact CB-O 3.49Å; G43-L78 CarbonylContact C-O 3.57Å; G43-L78 WeakPolarHBondContact CA-O 3.35Å; G43-L78 PolarHBondContact N-O 2.88Å; Q44-L78 HydrophobicContact CB-CB 4.27Å; Q44-L78 PolarHBondContact N-O 3.11Å; L47-L78 HydrophobicContact CB-CD2 4.29Å; L47-L78 HydrophobicContact CD2-CD1 3.75Å; L47-L78 HydrophobicContact CD2-CD2 4.16Å; V76-L78 VanDerWaalsContact C-N 3.33Å; V76-L78 HydrophobicContact CB-CD2 4.42Å; V76-L78 HydrophobicContact CG1-CD2 4.22Å; V76-L78 PolarHBondContact O-N 3.02Å; L78-K80 PolarHBondContact O-N 2.8Å; L78-K80 VanDerWaalsContact O-N 3.09Å
79	E	91.8	Very high	90.9	Very high	162 Å²	162	62.8 Å²	62.8	76%	0.757	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-2.6	178.9	-61.1	178.4	172.4	0	0	114.4	E77	E77-E79 PolarHBondContact O-N 3.36Å; E77-E79 VanDerWaalsContact O-N 3.14Å
80	K	92.1	Very high	91	Very high	85 Å²	85	57.2 Å²	57.2	37%	0.37	29%	0.287	S	S	.	.	S	Bend	trans	-118.5	152.6	-172	-65.3	-174.5	-172.3	167.6	0	114.2	T42 G43 E77 L78 L82	T42-K80 CarbonylContact C-O 3.58Å; T42-K80 VanDerWaalsContact CA-O 3.3Å; T42-K80 WeakPolarHBondContact CA-O 3.3Å; G43-K80 PolarHBondContact N-O 3.24Å; E77-K80 HydrophobicContact CB-CD 4.23Å; E77-K80 HydrophobicContact CB-CG 4.47Å; E77-K80 PolarHBondContact O-N 2.84Å; E77-K80 VanDerWaalsContact OE2-CD 3.28Å; E77-K80 WeakPolarHBondContact OE2-CD 3.42Å; E77-K80 VanDerWaalsContact OE2-CE 3.3Å; E77-K80 WeakPolarHBondContact OE2-CE 3.47Å; E77-K80 IonicContact OE2-NZ 2.71Å; E77-K80 PolarHBondContact OE2-NZ 3.31Å; L78-K80 PolarHBondContact O-N 2.8Å; L78-K80 VanDerWaalsContact O-N 3.09Å; K80-L82 PolarHBondContact O-N 3.17Å
81	P	93.9	Very high	91	Very high	43 Å²	43	58 Å²	58	28%	0.279	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-55.1	112.3	175.3	-27.3	35.9	0	0	0	112.2	S41 K83 K84 H85	S41-P81 CarbonylContact O-C 3.43Å; S41-P81 WeakPolarHBondContact O-CA 3.33Å; P81-K83 VanDerWaalsContact C-N 3.34Å; P81-K83 PolarHBondContact O-N 3.29Å; P81-K84 HydrophobicContact CB-CD 4.29Å; P81-K84 HydrophobicContact CB-CG 4.49Å; P81-K84 PolarHBondContact O-N 3.5Å; P81-H85 PolarHBondContact O-N 3.21Å
82	L	94.1	Very high	90.8	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.1	-41.9	-167	175.9	59.1	0	0	0	112	F21 T23 L37 S41 C46 V76 K80 K84 H85 L86 L95	F21-L82 HydrophobicContact CZ-CB 4.26Å; F21-L82 HydrophobicContact CZ-CD2 4.13Å; F21-L82 HydrophobicContact CZ-CG 4.07Å; T23-L82 HydrophobicContact CG2-CD2 4.44Å; L37-L82 HydrophobicContact CD1-CD2 3.7Å; S41-L82 PolarHBondContact O-N 3.24Å; C46-L82 HydrophobicContact CB-CD2 3.59Å; V76-L82 HydrophobicContact CG1-CD1 3.78Å; V76-L82 HydrophobicContact CG2-CD1 4.18Å; K80-L82 PolarHBondContact O-N 3.17Å; L82-K84 PolarHBondContact O-N 3.08Å; L82-H85 WeakPolarHBondContact O-CB 3.41Å; L82-H85 PolarHBondContact O-N 2.87Å; L82-H85 VanDerWaalsContact O-N 3.1Å; L82-L86 HydrophobicContact CD1-CD1 3.97Å; L82-L86 HydrophobicContact CD1-CG 3.97Å; L82-L86 HydrophobicContact CG-CD1 3.99Å; L82-L86 HydrophobicContact CG-CG 4.38Å; L82-L86 PolarHBondContact O-N 2.83Å; L82-L95 HydrophobicContact CD1-CD1 4.39Å; L82-L95 HydrophobicContact CD1-CD2 4.5Å; L82-L95 HydrophobicContact CD2-CD1 3.98Å
83	K	92	Very high	90.5	Very high	56 Å²	56	57.3 Å²	57.3	24%	0.243	29%	0.289	C	S	.	.	H	α-helix	trans	-58.9	-47.8	-179.7	-166.2	-176.8	177	176.1	0	112.3	F21 V39 P81 H85 L86 D87	F21-K83 HydrophobicContact CB-CD 4.11Å; F21-K83 HydrophobicContact CD1-CB 3.94Å; F21-K83 HydrophobicContact CD1-CD 4.06Å; F21-K83 HydrophobicContact CD1-CG 4.17Å; F21-K83 HydrophobicContact CD2-CB 4.48Å; F21-K83 HydrophobicContact CD2-CG 4.23Å; F21-K83 HydrophobicContact CE1-CB 3.7Å; F21-K83 HydrophobicContact CE1-CG 4.35Å; F21-K83 HydrophobicContact CE2-CB 4.26Å; F21-K83 HydrophobicContact CE2-CG 4.4Å; F21-K83 HydrophobicContact CG-CB 4.34Å; F21-K83 HydrophobicContact CG-CD 4.01Å; F21-K83 HydrophobicContact CG-CG 4.1Å; F21-K83 HydrophobicContact CZ-CB 3.87Å; F21-K83 HydrophobicContact CZ-CG 4.47Å; V39-K83 HydrophobicContact CB-CD 4.44Å; V39-K83 HydrophobicContact CG1-CD 4.35Å; V39-K83 HydrophobicContact CG2-CD 3.82Å; P81-K83 VanDerWaalsContact C-N 3.34Å; P81-K83 PolarHBondContact O-N 3.29Å; K83-H85 PolarHBondContact O-N 3.5Å; K83-L86 PolarHBondContact O-N 3.31Å; K83-D87 WeakPolarHBondContact CE-OD2 3.21Å; K83-D87 WeakPolarHBondContact O-CB 3.49Å; K83-D87 VanDerWaalsContact O-CG 3.23Å; K83-D87 PolarHBondContact O-N 3.49Å
84	K	90.6	Very high	90.5	Very high	139 Å²	139	55.8 Å²	55.8	60%	0.604	27%	0.273	S	S	*	.	H	α-helix	trans	-62.4	-30.3	178.7	-65.1	180	-177.4	172.5	0	111.9	P81 L82 K88	P81-K84 HydrophobicContact CB-CD 4.29Å; P81-K84 HydrophobicContact CB-CG 4.49Å; P81-K84 PolarHBondContact O-N 3.5Å; L82-K84 PolarHBondContact O-N 3.08Å; K84-K88 WeakPolarHBondContact O-CB 3.11Å; K84-K88 PolarHBondContact O-N 3.1Å
85	H	89	Confident	90.7	Very high	22 Å²	22	55.1 Å²	55.1	10%	0.102	27%	0.27	C	S	.	.	H	α-helix	trans	-72.3	-48.1	176.7	-164.9	-167.6	0	0	0	111.4	F66 E77 P81 L82 K83 K88 L89	F66-H85 AromaticContact CE1-CE1 3.82Å; F66-H85 AromaticContact CZ-NE2 3.88Å; E77-H85 PolarHBondContact N-CE1 2.93Å; P81-H85 PolarHBondContact O-N 3.21Å; L82-H85 WeakPolarHBondContact O-CB 3.41Å; L82-H85 PolarHBondContact O-N 2.87Å; L82-H85 VanDerWaalsContact O-N 3.1Å; K83-H85 PolarHBondContact O-N 3.5Å; H85-K88 PolarHBondContact O-N 2.91Å; H85-L89 PolarHBondContact O-N 3.43Å
86	L	91.3	Very high	90.7	Very high	10 Å²	10	54.8 Å²	54.8	5%	0.052	27%	0.27	C	S	.	.	H	α-helix	trans	-64.5	-51.6	177.8	-67.1	176.2	0	0	0	112.1	F21 F66 L82 K83 K88 L89 A90 L95	F21-L86 HydrophobicContact CE2-CD1 4.28Å; F66-L86 HydrophobicContact CB-CD2 4.23Å; F66-L86 HydrophobicContact CD1-CD2 4.11Å; F66-L86 HydrophobicContact CG-CD2 4.06Å; L82-L86 HydrophobicContact CD1-CD1 3.97Å; L82-L86 HydrophobicContact CD1-CG 3.97Å; L82-L86 HydrophobicContact CG-CD1 3.99Å; L82-L86 HydrophobicContact CG-CG 4.38Å; L82-L86 PolarHBondContact O-N 2.83Å; K83-L86 PolarHBondContact O-N 3.31Å; L86-K88 PolarHBondContact O-N 2.87Å; L86-K88 VanDerWaalsContact O-N 3.14Å; L86-L89 PolarHBondContact O-N 2.95Å; L86-A90 HydrophobicContact CB-CB 4.25Å; L86-A90 HydrophobicContact CD2-CB 3.72Å; L86-A90 WeakPolarHBondContact O-CB 3.34Å; L86-A90 PolarHBondContact O-N 3.32Å; L86-L95 HydrophobicContact CD2-CD2 4.03Å
87	D	89.9	Confident	90.9	Very high	103 Å²	103	54.7 Å²	54.7	55%	0.551	27%	0.269	S	S	*	.	H	α-helix	trans	-52.9	-39	178.9	-69.6	-13.3	0	0	0	111.2	K69 K83	K69-D87 PolarHBondContact NZ-O 3.13Å; K83-D87 WeakPolarHBondContact CE-OD2 3.21Å; K83-D87 WeakPolarHBondContact O-CB 3.49Å; K83-D87 VanDerWaalsContact O-CG 3.23Å; K83-D87 PolarHBondContact O-N 3.49Å
88	K	89.8	Confident	91.1	Very high	116 Å²	116	52.7 Å²	52.7	50%	0.504	26%	0.259	S	S	.	.	H	α-helix	trans	-73.1	-54.1	176.6	-166.4	-169.7	176.7	-101.4	0	112.8	K69 K84 H85 L86 E286	K69-K88 WeakPolarHBondContact CE-O 3.41Å; K69-K88 PolarHBondContact NZ-O 2.93Å; K84-K88 WeakPolarHBondContact O-CB 3.11Å; K84-K88 PolarHBondContact O-N 3.1Å; H85-K88 PolarHBondContact O-N 2.91Å; L86-K88 PolarHBondContact O-N 2.87Å; L86-K88 VanDerWaalsContact O-N 3.14Å; K88-E286 IonicContact NZ-OE1 3.48Å; K88-E286 PolarHBondContact NZ-OE1 3.18Å; K88-E286 IonicContact NZ-OE2 2.87Å
89	L	86.9	Confident	91.3	Very high	26 Å²	26	51.2 Å²	51.2	14%	0.136	25%	0.252	C	S	.	.	H	α-helix	trans	-108.5	-26.4	-162	-63.2	-170.3	0	0	0	116.2	F66 S68 K69 H85 L86 E286	F66-L89 HydrophobicContact CE2-CB 3.74Å; F66-L89 HydrophobicContact CZ-CB 3.88Å; F66-L89 HydrophobicContact CZ-CD1 4.41Å; S68-L89 CarbonylContact C-O 3.54Å; S68-L89 VanDerWaalsContact CA-O 3.26Å; S68-L89 WeakPolarHBondContact CA-O 3.45Å; K69-L89 PolarHBondContact N-O 3.25Å; H85-L89 PolarHBondContact O-N 3.43Å; L86-L89 PolarHBondContact O-N 2.95Å; L89-E286 WeakPolarHBondContact CD2-OE2 3.46Å
90	A	88.1	Confident	91.4	Very high	7 Å²	7	44.1 Å²	44.1	6%	0.058	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	148.9	-171.7	0	0	0	0	0	112.9	F66 K69 L86	F66-A90 HydrophobicContact CB-CB 4.46Å; F66-A90 HydrophobicContact CD2-CB 3.51Å; F66-A90 HydrophobicContact CE2-CB 4.01Å; F66-A90 HydrophobicContact CG-CB 4.15Å; K69-A90 WeakPolarHBondContact CE-O 3.48Å; K69-A90 WeakPolarHBondContact CG-O 3.32Å; L86-A90 HydrophobicContact CB-CB 4.25Å; L86-A90 HydrophobicContact CD2-CB 3.72Å; L86-A90 WeakPolarHBondContact O-CB 3.34Å; L86-A90 PolarHBondContact O-N 3.32Å
91	N	86.3	Confident	91.6	Very high	85 Å²	85	40.7 Å²	40.7	46%	0.455	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-41.7	171.4	-171.4	49.8	0	0	0	111.6	L67 Q71	L67-N91 PolarHBondContact O-N 3.08Å; Q71-N91 PolarHBondContact NE2-ND2 3.13Å
92	E	82.9	Confident	91.6	Very high	104 Å²	104	39.6 Å²	39.6	49%	0.486	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	157.1	176.3	-80.1	-163.4	-152.9	0	0	111.4	R24 L94	R24-E92 IonicContact NH2-OE2 2.73Å; R24-E92 PolarHBondContact NH2-OE2 3.43Å; E92-L94 HydrophobicContact CB-CB 4.33Å; E92-L94 PolarHBondContact O-N 2.85Å
93	P	81	Confident	91.5	Very high	72 Å²	72	39.6 Å²	39.6	47%	0.468	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	34.4	171.9	35.3	-37.7	0	0	0	113	T23 R24	T23-P93 PolarHBondContact OG1-O 2.9Å; R24-P93 PolarHBondContact N-O 2.61Å
94	L	91.8	Very high	91.3	Very high	22 Å²	22	38.8 Å²	38.8	12%	0.115	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	118.2	175.1	178.3	63.8	0	0	0	109.3	R24 R26 E92 F96	R24-L94 HydrophobicContact CB-CD1 3.91Å; R26-L94 HydrophobicContact CB-CD1 4.49Å; E92-L94 HydrophobicContact CB-CB 4.33Å; E92-L94 PolarHBondContact O-N 2.85Å; L94-F96 HydrophobicContact CD2-CE1 4.21Å; L94-F96 HydrophobicContact CD2-CE2 4.16Å; L94-F96 HydrophobicContact CD2-CZ 3.62Å; L94-F96 HydrophobicContact CG-CE2 4.06Å; L94-F96 HydrophobicContact CG-CZ 3.97Å
95	L	96.4	Very high	91.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	160.8	170.3	-69.1	167.7	0	0	0	110.3	T23 R24 I25 R26 L64 W65 F66 V76 L82 L86	T23-L95 HydrophobicContact CG2-CD1 3.9Å; R24-L95 PolarHBondContact O-N 2.98Å; I25-L95 CarbonylContact C-O 3.56Å; I25-L95 WeakPolarHBondContact CA-O 3.41Å; I25-L95 HydrophobicContact CB-CB 4.36Å; I25-L95 HydrophobicContact CG1-CB 4.01Å; I25-L95 HydrophobicContact CG1-CD1 4.12Å; I25-L95 HydrophobicContact CG2-CB 4.22Å; R26-L95 PolarHBondContact N-O 2.92Å; L64-L95 HydrophobicContact CB-CD2 4.44Å; L64-L95 HydrophobicContact CD1-CD1 4.4Å; W65-L95 CarbonylContact O-C 3.58Å; W65-L95 WeakPolarHBondContact O-CA 3.39Å; F66-L95 HydrophobicContact CB-CD2 4.24Å; V76-L95 HydrophobicContact CG2-CD2 3.63Å; L82-L95 HydrophobicContact CD1-CD1 4.39Å; L82-L95 HydrophobicContact CD1-CD2 4.5Å; L82-L95 HydrophobicContact CD2-CD1 3.98Å; L86-L95 HydrophobicContact CD2-CD2 4.03Å
96	F	96.9	Very high	91.2	Very high	19 Å²	19	33.8 Å²	33.8	8%	0.083	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.1	173.5	-59.4	-94.4	0	0	0	108.4	R26 L64 W65 L67 L94	R26-F96 HydrophobicContact CB-CD1 3.87Å; R26-F96 HydrophobicContact CB-CE1 4.23Å; R26-F96 HydrophobicContact CG-CD1 4.45Å; R26-F96 CarbonylContact O-C 3.49Å; R26-F96 WeakPolarHBondContact O-CA 3.42Å; L64-F96 CarbonylContact C-O 3.58Å; L64-F96 WeakPolarHBondContact CA-O 3.44Å; W65-F96 HydrophobicContact CD2-CB 3.68Å; W65-F96 HydrophobicContact CD2-CD2 4.07Å; W65-F96 HydrophobicContact CD2-CG 4.13Å; W65-F96 AromaticContact CE2-CG 3.85Å; W65-F96 HydrophobicContact CE3-CB 4.24Å; W65-F96 AromaticContact CE3-CD2 3.73Å; W65-F96 HydrophobicContact CE3-CD2 3.73Å; W65-F96 HydrophobicContact CE3-CE2 4.43Å; W65-F96 HydrophobicContact CE3-CG 4.2Å; W65-F96 HydrophobicContact CG-CB 4.1Å; W65-F96 HydrophobicContact CH2-CB 4.17Å; W65-F96 HydrophobicContact CH2-CD1 4.09Å; W65-F96 AromaticContact CH2-CD2 3.79Å; W65-F96 HydrophobicContact CH2-CD2 3.79Å; W65-F96 HydrophobicContact CH2-CE1 4.43Å; W65-F96 HydrophobicContact CH2-CE2 4.17Å; W65-F96 AromaticContact CH2-CG 3.75Å; W65-F96 HydrophobicContact CH2-CG 3.75Å; W65-F96 HydrophobicContact CH2-CZ 4.47Å; W65-F96 HydrophobicContact CZ2-CB 3.59Å; W65-F96 HydrophobicContact CZ2-CD1 4.06Å; W65-F96 HydrophobicContact CZ2-CD2 4.12Å; W65-F96 AromaticContact CZ2-CG 3.67Å; W65-F96 HydrophobicContact CZ2-CG 3.67Å; W65-F96 HydrophobicContact CZ3-CB 4.46Å; W65-F96 AromaticContact CZ3-CD2 3.58Å; W65-F96 HydrophobicContact CZ3-CD2 3.58Å; W65-F96 AromaticContact CZ3-CE2 3.93Å; W65-F96 HydrophobicContact CZ3-CE2 3.93Å; W65-F96 HydrophobicContact CZ3-CG 4.02Å; W65-F96 PolarHBondContact N-O 3.48Å; W65-F96 PolarHBondContact O-N 3.09Å; L67-F96 HydrophobicContact CG-CE2 4.39Å; L94-F96 HydrophobicContact CD2-CE1 4.21Å; L94-F96 HydrophobicContact CD2-CE2 4.16Å; L94-F96 HydrophobicContact CD2-CZ 3.62Å; L94-F96 HydrophobicContact CG-CE2 4.06Å; L94-F96 HydrophobicContact CG-CZ 3.97Å
97	F	98	Very high	91.1	Very high	3 Å²	3	37.2 Å²	37.2	1%	0.013	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	147.1	171	-179.8	-107.4	0	0	0	109.8	I25 R26 L27 L28 L47 V50 L54 L56 F62 L64	I25-F97 HydrophobicContact CG2-CB 4.09Å; R26-F97 PolarHBondContact O-N 2.9Å; L27-F97 HydrophobicContact CD2-CB 4.06Å; L27-F97 HydrophobicContact CD2-CD1 4.35Å; L27-F97 HydrophobicContact CD2-CG 4.32Å; L28-F97 HydrophobicContact CD1-CD1 3.98Å; L28-F97 HydrophobicContact CD1-CE1 4.07Å; L28-F97 WeakPolarHBondContact CD2-O 3.4Å; L28-F97 HydrophobicContact CG-CD1 4.05Å; L47-F97 HydrophobicContact CD1-CD2 4.06Å; L47-F97 HydrophobicContact CD1-CE2 3.76Å; V50-F97 HydrophobicContact CG1-CB 4.49Å; V50-F97 HydrophobicContact CG1-CD2 3.67Å; V50-F97 HydrophobicContact CG1-CE2 3.99Å; V50-F97 HydrophobicContact CG1-CG 4.05Å; L54-F97 HydrophobicContact CD1-CD1 4.01Å; L54-F97 HydrophobicContact CD1-CE1 3.54Å; L54-F97 HydrophobicContact CD1-CE2 4.44Å; L54-F97 HydrophobicContact CD1-CZ 3.79Å; L56-F97 HydrophobicContact CD1-CE1 4.26Å; L56-F97 HydrophobicContact CD1-CE2 4.49Å; L56-F97 HydrophobicContact CD1-CZ 3.59Å; F62-F97 HydrophobicContact CB-CE2 3.59Å; F62-F97 HydrophobicContact CB-CZ 3.7Å; F62-F97 AromaticContact CD1-CE1 3.81Å; F62-F97 HydrophobicContact CD1-CE1 3.81Å; F62-F97 HydrophobicContact CD1-CE2 4.13Å; F62-F97 AromaticContact CD1-CZ 3.38Å; F62-F97 HydrophobicContact CD1-CZ 3.38Å; F62-F97 HydrophobicContact CD2-CZ 4.25Å; F62-F97 HydrophobicContact CE1-CE1 4.19Å; F62-F97 HydrophobicContact CE1-CZ 4.05Å; F62-F97 HydrophobicContact CG-CE1 4.38Å; F62-F97 AromaticContact CG-CE2 3.96Å; F62-F97 HydrophobicContact CG-CE2 3.96Å; F62-F97 AromaticContact CG-CZ 3.51Å; F62-F97 HydrophobicContact CG-CZ 3.51Å; L64-F97 HydrophobicContact CD2-CB 4.3Å; L64-F97 HydrophobicContact CD2-CD2 4.21Å
98	G	96.9	Very high	91.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	169.9	179.4	0	0	0	0	0	114	F62 G63 M100	F62-G98 CarbonylContact C-O 3.44Å; F62-G98 WeakPolarHBondContact CA-O 3.1Å; G63-G98 PolarHBondContact N-O 3.45Å; G63-G98 PolarHBondContact O-N 3.41Å; G98-M100 PolarHBondContact O-N 2.93Å
99	V	96.8	Very high	91.3	Very high	1 Å²	1	31 Å²	31	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	120.2	175.1	179.9	0	0	0	0	109.2	F62 W75 F101 Y102 Y118 Q121	F62-V99 HydrophobicContact CD1-CG2 4.11Å; F62-V99 HydrophobicContact CE1-CG2 3.87Å; W75-V99 VanDerWaalsContact CH2-O 3.27Å; W75-V99 WeakPolarHBondContact CH2-O 3.37Å; V99-F101 WeakPolarHBondContact CG1-O 3.46Å; V99-Y102 HydrophobicContact CB-CD2 4.43Å; V99-Y102 HydrophobicContact CB-CE2 4.03Å; V99-Y102 HydrophobicContact CG1-CD2 3.74Å; V99-Y102 HydrophobicContact CG1-CE2 3.85Å; V99-Y102 HydrophobicContact CG1-CG 4.14Å; V99-Y118 HydrophobicContact CG1-CD2 4.02Å; V99-Y118 HydrophobicContact CG1-CE2 3.74Å; V99-Y118 HydrophobicContact CG2-CD2 3.77Å; V99-Y118 HydrophobicContact CG2-CE2 4.3Å; V99-Y118 HydrophobicContact CG2-CG 4.33Å; V99-Q121 HydrophobicContact CB-CB 4.47Å; V99-Q121 HydrophobicContact CB-CG 3.92Å; V99-Q121 HydrophobicContact CG2-CB 3.71Å; V99-Q121 HydrophobicContact CG2-CG 3.72Å
100	M	95.3	Very high	91.5	Very high	13 Å²	13	36.6 Å²	36.6	6%	0.064	19%	0.191	C	C	.	.	S	Bend	trans	-95	-25.9	177.7	-172.6	174	-178.3	0	0	112	Y61 W75 G98 L294 T297 R298	Y61-M100 PolarHBondContact O-N 2.87Å; W75-M100 HydrophobicContact CB-CE 4.12Å; W75-M100 HydrophobicContact CD2-CE 4.49Å; W75-M100 HydrophobicContact CD2-CG 4.04Å; W75-M100 HydrophobicContact CD2-SD 4.32Å; W75-M100 HydrophobicContact CE3-CB 4.16Å; W75-M100 HydrophobicContact CE3-CG 4.03Å; W75-M100 HydrophobicContact CE3-SD 4.14Å; W75-M100 HydrophobicContact CG-CE 4.15Å; W75-M100 HydrophobicContact CH2-CB 4.03Å; W75-M100 HydrophobicContact CH2-CG 4.48Å; W75-M100 HydrophobicContact CZ2-CB 4.4Å; W75-M100 HydrophobicContact CZ2-CG 4.47Å; W75-M100 HydrophobicContact CZ3-CB 3.89Å; W75-M100 HydrophobicContact CZ3-CG 4.26Å; G98-M100 PolarHBondContact O-N 2.93Å; M100-L294 HydrophobicContact CE-CD1 3.84Å; M100-T297 HydrophobicContact CE-CG2 4.3Å; M100-R298 VanDerWaalsContact O-CZ 3.29Å; M100-R298 PolarHBondContact O-NE 2.96Å; M100-R298 PolarHBondContact O-NH2 3.12Å
101	F	95	Very high	91.8	Very high	13 Å²	13	38.1 Å²	38.1	6%	0.057	20%	0.197	C	C	.	.	S	Bend	trans	-131.5	110.1	-179.8	-48	-89.4	0	0	0	109.9	H60 Y61 V99 T297 R298 F301 Y302	H60-F101 WeakPolarHBondContact O-CD2 3.5Å; H60-F101 WeakPolarHBondContact O-CE2 3.36Å; Y61-F101 PolarHBondContact O-N 3.25Å; V99-F101 WeakPolarHBondContact CG1-O 3.46Å; F101-T297 HydrophobicContact CE1-CG2 4.34Å; F101-T297 HydrophobicContact CZ-CG2 4.06Å; F101-R298 HydrophobicContact CD1-CG 3.8Å; F101-R298 HydrophobicContact CE1-CB 4.5Å; F101-R298 HydrophobicContact CE1-CG 3.75Å; F101-F301 HydrophobicContact CB-CD1 3.77Å; F101-F301 HydrophobicContact CB-CE1 3.45Å; F101-F301 VanDerWaalsContact CB-CE1 3.45Å; F101-F301 HydrophobicContact CB-CE2 4.27Å; F101-F301 HydrophobicContact CB-CG 4.31Å; F101-F301 HydrophobicContact CB-CZ 3.73Å; F101-F301 HydrophobicContact CD1-CB 3.64Å; F101-F301 AromaticContact CD1-CD1 3.48Å; F101-F301 HydrophobicContact CD1-CD1 3.48Å; F101-F301 VanDerWaalsContact CD1-CD1 3.48Å; F101-F301 AromaticContact CD1-CD2 3.9Å; F101-F301 HydrophobicContact CD1-CD2 3.9Å; F101-F301 HydrophobicContact CD1-CE1 4.09Å; F101-F301 HydrophobicContact CD1-CE2 4.44Å; F101-F301 AromaticContact CD1-CG 3.38Å; F101-F301 HydrophobicContact CD1-CG 3.38Å; F101-F301 HydrophobicContact CD2-CD2 4.07Å; F101-F301 HydrophobicContact CD2-CE2 4.07Å; F101-F301 HydrophobicContact CD2-CG 4.38Å; F101-F301 HydrophobicContact CD2-CZ 4.37Å; F101-F301 HydrophobicContact CE1-CB 3.53Å; F101-F301 HydrophobicContact CE1-CD1 4.26Å; F101-F301 HydrophobicContact CE1-CD2 4.07Å; F101-F301 AromaticContact CE1-CG 3.7Å; F101-F301 HydrophobicContact CE1-CG 3.7Å; F101-F301 HydrophobicContact CE2-CD2 4.24Å; F101-F301 HydrophobicContact CG-CB 4.48Å; F101-F301 AromaticContact CG-CD1 3.72Å; F101-F301 HydrophobicContact CG-CD1 3.72Å; F101-F301 AromaticContact CG-CD2 3.91Å; F101-F301 HydrophobicContact CG-CD2 3.91Å; F101-F301 AromaticContact CG-CE1 3.84Å; F101-F301 HydrophobicContact CG-CE1 3.84Å; F101-F301 HydrophobicContact CG-CE2 4.01Å; F101-F301 AromaticContact CG-CG 3.77Å; F101-F301 HydrophobicContact CG-CG 3.77Å; F101-F301 AromaticContact CG-CZ 3.98Å; F101-F301 HydrophobicContact CG-CZ 3.98Å; F101-F301 HydrophobicContact CZ-CB 4.29Å; F101-F301 HydrophobicContact CZ-CD2 4.24Å; F101-F301 HydrophobicContact CZ-CG 4.33Å; F101-Y302 HydrophobicContact CB-CE1 4.5Å
102	Y	94.5	Very high	92.1	Very high	20 Å²	20	39.6 Å²	39.6	8%	0.078	20%	0.202	C	C	.	.			trans	-84.1	149.1	177.9	-72.8	-115.6	0	0	0	109.5	V99 Y118 Q121 V122 D125 F215 G216 F236 Y302	V99-Y102 HydrophobicContact CB-CD2 4.43Å; V99-Y102 HydrophobicContact CB-CE2 4.03Å; V99-Y102 HydrophobicContact CG1-CD2 3.74Å; V99-Y102 HydrophobicContact CG1-CE2 3.85Å; V99-Y102 HydrophobicContact CG1-CG 4.14Å; Y102-Y118 WeakPolarHBondContact CA-OH 3.39Å; Y102-Y118 WeakPolarHBondContact CB-OH 3.45Å; Y102-Y118 AromaticContact CD1-CZ 3.97Å; Y102-Y118 WeakPolarHBondContact CD1-OH 2.92Å; Y102-Q121 WeakPolarHBondContact OH-CG 3.43Å; Y102-V122 HydrophobicContact CE1-CG1 4.27Å; Y102-D125 PolarHBondContact OH-OD2 2.64Å; Y102-F215 HydrophobicContact CD1-CD2 4.42Å; Y102-F215 HydrophobicContact CD1-CE2 4.05Å; Y102-F215 HydrophobicContact CD1-CZ 4.25Å; Y102-F215 HydrophobicContact CE1-CE2 4.49Å; Y102-G216 VanDerWaalsContact CG-CA 3.46Å; Y102-F236 WeakPolarHBondContact O-CB 3.41Å; Y102-Y302 PolarHBondContact N-OH 3.06Å; Y102-Y302 WeakPolarHBondContact O-CE1 3.31Å; Y102-Y302 PolarHBondContact O-OH 3.05Å
103	V	92.8	Very high	92.6	Very high	1 Å²	1	36 Å²	36	1%	0.006	19%	0.19	C	C	.	.			trans	-105.7	149.1	179.8	-69.5	0	0	0	0	111.3	Y61 N105 W108 L109 Y118 F215	Y61-V103 HydrophobicContact CD1-CG1 3.99Å; Y61-V103 HydrophobicContact CE1-CG1 3.39Å; V103-N105 WeakPolarHBondContact CG2-O 3.34Å; V103-N105 PolarHBondContact O-N 2.93Å; V103-W108 HydrophobicContact CB-CB 3.93Å; V103-W108 HydrophobicContact CB-CG 4.28Å; V103-W108 HydrophobicContact CG1-CB 3.77Å; V103-W108 HydrophobicContact CG1-CG 4.32Å; V103-W108 HydrophobicContact CG2-CB 4.25Å; V103-L109 HydrophobicContact CG1-CD2 4.18Å; V103-L109 HydrophobicContact CG2-CD1 4.28Å; V103-L109 HydrophobicContact CG2-CD2 3.89Å; V103-L109 HydrophobicContact CG2-CG 3.96Å; V103-Y118 HydrophobicContact CG2-CE2 4.2Å; V103-Y118 PolarHBondContact N-OH 2.98Å; V103-F215 WeakPolarHBondContact O-CE1 3.49Å
104	P	88.1	Confident	93.3	Very high	38 Å²	38	32.6 Å²	32.6	25%	0.247	17%	0.167	C	C	.	.	S	Bend	trans	-69.4	-18.4	-177.8	27.9	-36.7	0	0	0	114	F236 I307	P104-F236 HydrophobicContact CB-CD2 3.67Å; P104-F236 HydrophobicContact CB-CE2 3.57Å; P104-F236 HydrophobicContact CB-CZ 4.42Å; P104-F236 HydrophobicContact CG-CD2 4.5Å; P104-I307 HydrophobicContact CG-CG2 3.74Å
105	N	86.9	Confident	93.5	Very high	49 Å²	49	33.6 Å²	33.6	26%	0.262	17%	0.17	S	C	.	.	S	Bend	trans	-155.2	148.1	172.9	172.5	-100.8	0	0	0	109.6	V103 S107 W108 E210	V103-N105 WeakPolarHBondContact CG2-O 3.34Å; V103-N105 PolarHBondContact O-N 2.93Å; N105-S107 PolarHBondContact O-N 3.15Å; N105-S107 VanDerWaalsContact O-N 3.1Å; N105-S107 WeakPolarHBondContact OD1-CB 3.05Å; N105-S107 PolarHBondContact OD1-N 2.86Å; N105-S107 PolarHBondContact OD1-OG 2.96Å; N105-W108 PolarHBondContact O-N 3.07Å; N105-E210 VanDerWaalsContact CA-OE2 3.27Å; N105-E210 WeakPolarHBondContact CA-OE2 3.32Å; N105-E210 PolarHBondContact ND2-OE1 2.8Å; N105-E210 PolarHBondContact ND2-OE2 3.06Å
106	V	90.4	Very high	93.5	Very high	7 Å²	7	37.9 Å²	37.9	4%	0.042	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-60.1	-19.2	-178.1	69.7	0	0	0	0	115.2	W108 L109 R115 L203 I206 N207 E210	V106-W108 PolarHBondContact O-N 3.49Å; V106-W108 VanDerWaalsContact O-N 3.08Å; V106-L109 HydrophobicContact CG2-CD1 4.34Å; V106-L109 WeakPolarHBondContact O-CB 3.49Å; V106-L109 PolarHBondContact O-N 3.13Å; V106-R115 HydrophobicContact CG2-CG 4.4Å; V106-L203 HydrophobicContact CB-CD1 4.25Å; V106-L203 HydrophobicContact CG1-CD1 3.55Å; V106-L203 HydrophobicContact CG2-CD1 3.64Å; V106-I206 HydrophobicContact CB-CB 4.43Å; V106-I206 HydrophobicContact CB-CG2 3.79Å; V106-I206 HydrophobicContact CG2-CB 4.07Å; V106-I206 HydrophobicContact CG2-CD1 3.99Å; V106-I206 HydrophobicContact CG2-CG2 3.71Å; V106-N207 WeakPolarHBondContact CG1-ND2 3.5Å; V106-E210 PolarHBondContact N-OE2 2.87Å
107	S	89.4	Confident	93.5	Very high	83 Å²	83	37.4 Å²	37.4	58%	0.58	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-61.6	-15.4	177.1	60.2	0	0	0	0	115	N105 L109	N105-S107 PolarHBondContact O-N 3.15Å; N105-S107 VanDerWaalsContact O-N 3.1Å; N105-S107 WeakPolarHBondContact OD1-CB 3.05Å; N105-S107 PolarHBondContact OD1-N 2.86Å; N105-S107 PolarHBondContact OD1-OG 2.96Å; S107-L109 VanDerWaalsContact C-N 3.26Å; S107-L109 PolarHBondContact O-N 3.45Å
108	W	90.1	Very high	93.5	Very high	85 Å²	85	37.2 Å²	37.2	32%	0.322	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-74.1	-12.5	171.8	-70.2	81.5	0	0	0	113.5	Y61 V103 N105 V106 H110 I307	Y61-W108 PolarHBondContact OH-O 2.9Å; V103-W108 HydrophobicContact CB-CB 3.93Å; V103-W108 HydrophobicContact CB-CG 4.28Å; V103-W108 HydrophobicContact CG1-CB 3.77Å; V103-W108 HydrophobicContact CG1-CG 4.32Å; V103-W108 HydrophobicContact CG2-CB 4.25Å; N105-W108 PolarHBondContact O-N 3.07Å; V106-W108 PolarHBondContact O-N 3.49Å; V106-W108 VanDerWaalsContact O-N 3.08Å; W108-H110 PolarHBondContact O-CE1 2.9Å; W108-H110 VanDerWaalsContact O-CE1 3.26Å; W108-H110 PolarHBondContact O-ND1 3.09Å; W108-H110 VanDerWaalsContact O-ND1 3.13Å; W108-I307 HydrophobicContact CD2-CG1 4.34Å; W108-I307 HydrophobicContact CE3-CG1 3.91Å; W108-I307 HydrophobicContact CH2-CB 4.32Å; W108-I307 HydrophobicContact CH2-CG1 3.79Å; W108-I307 HydrophobicContact CZ2-CB 4.47Å; W108-I307 HydrophobicContact CZ2-CG1 4.23Å; W108-I307 HydrophobicContact CZ3-CG1 3.61Å
109	L	93	Very high	93.5	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.016	18%	0.184	C	C	.	.			trans	-102	97.3	-176.4	-50.9	-176.4	0	0	0	110.8	Y61 V103 V106 S107 T114 R115 Y118	Y61-L109 HydrophobicContact CD1-CD2 4.47Å; Y61-L109 HydrophobicContact CD2-CD2 3.83Å; Y61-L109 HydrophobicContact CE1-CD2 4.33Å; Y61-L109 HydrophobicContact CE2-CD2 3.65Å; Y61-L109 HydrophobicContact CG-CD2 4.25Å; V103-L109 HydrophobicContact CG1-CD2 4.18Å; V103-L109 HydrophobicContact CG2-CD1 4.28Å; V103-L109 HydrophobicContact CG2-CD2 3.89Å; V103-L109 HydrophobicContact CG2-CG 3.96Å; V106-L109 HydrophobicContact CG2-CD1 4.34Å; V106-L109 WeakPolarHBondContact O-CB 3.49Å; V106-L109 PolarHBondContact O-N 3.13Å; S107-L109 VanDerWaalsContact C-N 3.26Å; S107-L109 PolarHBondContact O-N 3.45Å; L109-T114 HydrophobicContact CB-CG2 4.19Å; L109-T114 HydrophobicContact CD2-CG2 3.98Å; L109-T114 HydrophobicContact CG-CG2 4.46Å; L109-R115 HydrophobicContact CB-CG 3.75Å; L109-R115 HydrophobicContact CD1-CG 4.44Å; L109-R115 PolarHBondContact O-NH1 3.35Å; L109-Y118 HydrophobicContact CD1-CD1 3.97Å; L109-Y118 HydrophobicContact CD1-CD2 3.54Å; L109-Y118 HydrophobicContact CD1-CE1 4.42Å; L109-Y118 HydrophobicContact CD1-CE2 4.03Å; L109-Y118 HydrophobicContact CD1-CG 3.49Å; L109-Y118 VanDerWaalsContact CD1-CG 3.49Å; L109-Y118 HydrophobicContact CD2-CD2 4.44Å
110	H	91.9	Very high	93.5	Very high	143 Å²	143	37.8 Å²	37.8	66%	0.662	19%	0.187	S	C	*	.			trans	-81.5	-38.5	-167.5	-54.9	79	0	0	0	112.8	E58 W108 R115	E58-H110 WeakPolarHBondContact OE1-CB 3.49Å; E58-H110 IonicContact OE1-CG 2.65Å; E58-H110 PolarHBondContact OE1-N 3.31Å; E58-H110 IonicContact OE1-ND1 2.84Å; E58-H110 PolarHBondContact OE1-ND1 3.29Å; E58-H110 PolarHBondContact OE2-N 3.21Å; W108-H110 PolarHBondContact O-CE1 2.9Å; W108-H110 VanDerWaalsContact O-CE1 3.26Å; W108-H110 PolarHBondContact O-ND1 3.09Å; W108-H110 VanDerWaalsContact O-ND1 3.13Å; H110-R115 VanDerWaalsContact C-NH1 3.28Å; H110-R115 PolarHBondContact O-NH1 3.47Å
111	Q	93.8	Very high	93.6	Very high	39 Å²	39	37.7 Å²	37.7	18%	0.182	19%	0.186	C	C	.	.	S	Bend	trans	-86.3	140.5	-178.8	-177.7	-176.6	1.7	0	0	111.5	E55 R57 E58 A113 T114 R115	E55-Q111 PolarHBondContact O-NE2 3.46Å; R57-Q111 VanDerWaalsContact CB-OE1 3.22Å; E58-Q111 WeakPolarHBondContact OE2-CB 3.46Å; E58-Q111 PolarHBondContact OE2-N 3.1Å; Q111-A113 HydrophobicContact CG-CB 4.21Å; Q111-T114 VanDerWaalsContact O-CB 3.28Å; Q111-T114 WeakPolarHBondContact O-CB 3.4Å; Q111-T114 PolarHBondContact O-N 3.47Å; Q111-T114 VanDerWaalsContact O-N 3.12Å; Q111-R115 PolarHBondContact O-N 2.81Å; Q111-R115 VanDerWaalsContact O-N 3.09Å
112	E	92.3	Very high	93.6	Very high	117 Å²	117	37.1 Å²	37.1	55%	0.547	18%	0.183	S	C	.	.	H	α-helix	trans	-60.6	-46.4	178.7	-156.5	162.9	122.2	0	0	112.6	T114 R115 Y116 A199	E112-T114 PolarHBondContact O-N 3.04Å; E112-R115 CarbonylContact O-C 3.52Å; E112-R115 WeakPolarHBondContact O-CA 3.32Å; E112-R115 WeakPolarHBondContact O-CB 3.45Å; E112-R115 PolarHBondContact O-N 2.76Å; E112-R115 IonicContact OE2-NH2 3.66Å; E112-Y116 PolarHBondContact O-N 3.42Å; E112-A199 HydrophobicContact CG-CB 4.14Å
113	A	93.8	Very high	93.7	Very high	28 Å²	28	37 Å²	37	23%	0.231	18%	0.184	C	C	.	.	H	α-helix	trans	-57.7	-33.6	173.1	0	0	0	0	0	113.4	L56 Q111 Q117	L56-A113 HydrophobicContact CD2-CB 4Å; L56-A113 WeakPolarHBondContact CD2-O 3.34Å; Q111-A113 HydrophobicContact CG-CB 4.21Å; A113-Q117 WeakPolarHBondContact O-CG 3.48Å; A113-Q117 PolarHBondContact O-N 3.47Å
114	T	96	Very high	93.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.4	-46.9	173.1	-52.1	0	0	0	0	110.4	E58 Y61 F62 L109 Q111 E112 Q117 Y118	E58-T114 HydrophobicContact CB-CG2 4.05Å; E58-T114 WeakPolarHBondContact OE2-CB 3.49Å; E58-T114 PolarHBondContact OE2-OG1 3.09Å; Y61-T114 HydrophobicContact CD2-CG2 4.08Å; F62-T114 HydrophobicContact CE2-CG2 4Å; F62-T114 HydrophobicContact CZ-CG2 4.08Å; L109-T114 HydrophobicContact CB-CG2 4.19Å; L109-T114 HydrophobicContact CD2-CG2 3.98Å; L109-T114 HydrophobicContact CG-CG2 4.46Å; Q111-T114 VanDerWaalsContact O-CB 3.28Å; Q111-T114 WeakPolarHBondContact O-CB 3.4Å; Q111-T114 PolarHBondContact O-N 3.47Å; Q111-T114 VanDerWaalsContact O-N 3.12Å; E112-T114 PolarHBondContact O-N 3.04Å; T114-Q117 PolarHBondContact O-N 3.36Å; T114-Y118 VanDerWaalsContact O-CB 3.31Å; T114-Y118 WeakPolarHBondContact O-CB 3.44Å; T114-Y118 PolarHBondContact O-N 3.35Å
115	R	95.8	Very high	93.9	Very high	44 Å²	44	37.6 Å²	37.6	17%	0.166	18%	0.182	C	C	.	.	H	α-helix	trans	-62.1	-45.4	176.6	-69.4	-171.6	-62.5	-84.6	0.3	111.8	V106 L109 H110 Q111 E112 Q117 Y118 Y119 I206	V106-R115 HydrophobicContact CG2-CG 4.4Å; L109-R115 HydrophobicContact CB-CG 3.75Å; L109-R115 HydrophobicContact CD1-CG 4.44Å; L109-R115 PolarHBondContact O-NH1 3.35Å; H110-R115 VanDerWaalsContact C-NH1 3.28Å; H110-R115 PolarHBondContact O-NH1 3.47Å; Q111-R115 PolarHBondContact O-N 2.81Å; Q111-R115 VanDerWaalsContact O-N 3.09Å; E112-R115 CarbonylContact O-C 3.52Å; E112-R115 WeakPolarHBondContact O-CA 3.32Å; E112-R115 WeakPolarHBondContact O-CB 3.45Å; E112-R115 PolarHBondContact O-N 2.76Å; E112-R115 IonicContact OE2-NH2 3.66Å; R115-Q117 PolarHBondContact O-N 2.9Å; R115-Y118 CarbonylContact O-C 3.59Å; R115-Y118 WeakPolarHBondContact O-CB 3.47Å; R115-Y118 PolarHBondContact O-N 3.15Å; R115-Y118 VanDerWaalsContact O-N 3.14Å; R115-Y119 WeakPolarHBondContact O-CB 3.44Å; R115-Y119 PolarHBondContact O-N 3.16Å; R115-I206 HydrophobicContact CB-CD1 4.36Å; R115-I206 WeakPolarHBondContact O-CD1 3.33Å
116	Y	96.4	Very high	94.3	Very high	89 Å²	89	35.4 Å²	35.4	35%	0.349	17%	0.171	S	C	.	.	H	α-helix	trans	-59.5	-46.5	177.4	179.8	-109	0	0	0	112.5	E112 Y118 Y119 L120 E202	E112-Y116 PolarHBondContact O-N 3.42Å; Y116-Y118 VanDerWaalsContact C-N 3.34Å; Y116-Y118 PolarHBondContact O-N 3.33Å; Y116-Y119 HydrophobicContact CD2-CD1 4.25Å; Y116-Y119 HydrophobicContact CE2-CD1 4.38Å; Y116-Y119 WeakPolarHBondContact O-CB 3.37Å; Y116-Y119 PolarHBondContact O-N 3.41Å; Y116-L120 HydrophobicContact CD1-CD1 4.1Å; Y116-L120 HydrophobicContact CE1-CD1 3.55Å; Y116-L120 HydrophobicContact CE1-CG 4.26Å; Y116-L120 HydrophobicContact CE2-CD1 4.5Å; Y116-L120 HydrophobicContact CE2-CD2 4.49Å; Y116-L120 HydrophobicContact CE2-CG 4.41Å; Y116-L120 WeakPolarHBondContact O-CG 3.13Å; Y116-L120 PolarHBondContact O-N 2.85Å; Y116-E202 VanDerWaalsContact CA-OE2 3.25Å; Y116-E202 WeakPolarHBondContact CA-OE2 3.33Å; Y116-E202 WeakPolarHBondContact CB-OE2 3.42Å; Y116-E202 HydrophobicContact CD2-CG 4.48Å; Y116-E202 PolarHBondContact N-OE2 2.94Å
117	Q	96.9	Very high	94.4	Very high	9 Å²	9	36.8 Å²	36.8	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-67.2	-34.4	175.8	-66.9	-66.4	-44.7	0	0	112.1	L28 L54 L56 F62 A113 T114 R115 Q121	L28-Q117 HydrophobicContact CD1-CB 4.43Å; L28-Q117 VanDerWaalsContact CD1-O 3.24Å; L28-Q117 WeakPolarHBondContact CD1-O 3.45Å; L54-Q117 HydrophobicContact CD1-CG 4.5Å; L56-Q117 HydrophobicContact CD1-CG 4.34Å; L56-Q117 HydrophobicContact CD2-CG 4.22Å; F62-Q117 HydrophobicContact CE1-CB 3.73Å; F62-Q117 HydrophobicContact CZ-CB 3.83Å; A113-Q117 WeakPolarHBondContact O-CG 3.48Å; A113-Q117 PolarHBondContact O-N 3.47Å; T114-Q117 PolarHBondContact O-N 3.36Å; R115-Q117 PolarHBondContact O-N 2.9Å; Q117-Q121 PolarHBondContact O-N 3.32Å; Q117-Q121 VanDerWaalsContact O-N 3.09Å
118	Y	96.9	Very high	94.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.6	-40.2	173.3	-157.4	-83.3	0	0	0	111.7	V99 Y102 V103 L109 T114 R115 Y116 Q121 V122 I206 F215	V99-Y118 HydrophobicContact CG1-CD2 4.02Å; V99-Y118 HydrophobicContact CG1-CE2 3.74Å; V99-Y118 HydrophobicContact CG2-CD2 3.77Å; V99-Y118 HydrophobicContact CG2-CE2 4.3Å; V99-Y118 HydrophobicContact CG2-CG 4.33Å; Y102-Y118 WeakPolarHBondContact CA-OH 3.39Å; Y102-Y118 WeakPolarHBondContact CB-OH 3.45Å; Y102-Y118 AromaticContact CD1-CZ 3.97Å; Y102-Y118 WeakPolarHBondContact CD1-OH 2.92Å; V103-Y118 HydrophobicContact CG2-CE2 4.2Å; V103-Y118 PolarHBondContact N-OH 2.98Å; L109-Y118 HydrophobicContact CD1-CD1 3.97Å; L109-Y118 HydrophobicContact CD1-CD2 3.54Å; L109-Y118 HydrophobicContact CD1-CE1 4.42Å; L109-Y118 HydrophobicContact CD1-CE2 4.03Å; L109-Y118 HydrophobicContact CD1-CG 3.49Å; L109-Y118 VanDerWaalsContact CD1-CG 3.49Å; L109-Y118 HydrophobicContact CD2-CD2 4.44Å; T114-Y118 VanDerWaalsContact O-CB 3.31Å; T114-Y118 WeakPolarHBondContact O-CB 3.44Å; T114-Y118 PolarHBondContact O-N 3.35Å; R115-Y118 CarbonylContact O-C 3.59Å; R115-Y118 WeakPolarHBondContact O-CB 3.47Å; R115-Y118 PolarHBondContact O-N 3.15Å; R115-Y118 VanDerWaalsContact O-N 3.14Å; Y116-Y118 VanDerWaalsContact C-N 3.34Å; Y116-Y118 PolarHBondContact O-N 3.33Å; Y118-Q121 WeakPolarHBondContact O-CB 3.49Å; Y118-Q121 PolarHBondContact O-N 3.28Å; Y118-V122 HydrophobicContact CD1-CG1 3.91Å; Y118-V122 HydrophobicContact CE1-CG1 3.84Å; Y118-V122 WeakPolarHBondContact O-CG2 3.38Å; Y118-V122 PolarHBondContact O-N 2.87Å; Y118-I206 HydrophobicContact CD1-CD1 4.25Å; Y118-I206 HydrophobicContact CD1-CG1 4.33Å; Y118-I206 HydrophobicContact CD1-CG2 3.93Å; Y118-I206 HydrophobicContact CE1-CG2 3.97Å; Y118-F215 HydrophobicContact CE1-CE2 4.19Å; Y118-F215 AromaticContact CE1-CZ 3.96Å; Y118-F215 HydrophobicContact CE1-CZ 3.96Å; Y118-F215 WeakPolarHBondContact OH-CZ 3.41Å
119	Y	97.4	Very high	94.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-56.8	-52.1	171.9	160	-103.2	0	0	0	111	R115 Y116 Q121 V122 K123 A145 A148 D149 E202 Y205	R115-Y119 WeakPolarHBondContact O-CB 3.44Å; R115-Y119 PolarHBondContact O-N 3.16Å; Y116-Y119 HydrophobicContact CD2-CD1 4.25Å; Y116-Y119 HydrophobicContact CE2-CD1 4.38Å; Y116-Y119 WeakPolarHBondContact O-CB 3.37Å; Y116-Y119 PolarHBondContact O-N 3.41Å; Y119-Q121 VanDerWaalsContact C-N 3.29Å; Y119-Q121 PolarHBondContact O-N 2.75Å; Y119-V122 WeakPolarHBondContact O-CG2 3.41Å; Y119-V122 PolarHBondContact O-N 2.85Å; Y119-K123 HydrophobicContact CE1-CD 3.98Å; Y119-K123 HydrophobicContact CE2-CD 4.3Å; Y119-K123 WeakPolarHBondContact O-CB 3.47Å; Y119-K123 PolarHBondContact O-N 3.49Å; Y119-K123 WeakPolarHBondContact OH-CD 3.36Å; Y119-K123 WeakPolarHBondContact OH-CE 3.34Å; Y119-K123 PolarHBondContact OH-NZ 3.26Å; Y119-A145 WeakPolarHBondContact OH-CA 3.29Å; Y119-A145 WeakPolarHBondContact OH-CB 3.34Å; Y119-A148 HydrophobicContact CE1-CB 4.37Å; Y119-A148 HydrophobicContact CE2-CB 4.33Å; Y119-D149 PolarHBondContact OH-OD1 2.95Å; Y119-E202 HydrophobicContact CD1-CG 3.96Å; Y119-E202 HydrophobicContact CD2-CB 4.34Å; Y119-E202 HydrophobicContact CD2-CG 4.33Å; Y119-E202 HydrophobicContact CE1-CG 4.38Å; Y119-E202 HydrophobicContact CG-CB 4.18Å; Y119-E202 HydrophobicContact CG-CG 3.94Å; Y119-Y205 AromaticContact CD2-CD1 3.74Å; Y119-Y205 HydrophobicContact CD2-CD1 3.74Å; Y119-Y205 HydrophobicContact CD2-CE1 4.47Å; Y119-Y205 AromaticContact CD2-CG 3.79Å; Y119-Y205 HydrophobicContact CD2-CG 3.79Å; Y119-Y205 AromaticContact CE2-CD1 3.87Å; Y119-Y205 HydrophobicContact CE2-CD1 3.87Å; Y119-Y205 AromaticContact CE2-CD2 3.87Å; Y119-Y205 HydrophobicContact CE2-CD2 3.87Å; Y119-Y205 HydrophobicContact CE2-CE1 4.41Å; Y119-Y205 HydrophobicContact CE2-CE2 4.39Å; Y119-Y205 AromaticContact CE2-CG 3.6Å; Y119-Y205 HydrophobicContact CE2-CG 3.6Å
120	L	96.9	Very high	94.1	Very high	13 Å²	13	39.7 Å²	39.7	7%	0.068	19%	0.187	C	C	.	.	H	α-helix	trans	-59.3	-39	177.4	-68.4	176.7	0	0	0	112.4	L28 D29 Y116 K124	L28-L120 HydrophobicContact CB-CB 3.77Å; L28-L120 HydrophobicContact CB-CD1 4.26Å; D29-L120 HydrophobicContact CB-CD1 4.08Å; Y116-L120 HydrophobicContact CD1-CD1 4.1Å; Y116-L120 HydrophobicContact CE1-CD1 3.55Å; Y116-L120 HydrophobicContact CE1-CG 4.26Å; Y116-L120 HydrophobicContact CE2-CD1 4.5Å; Y116-L120 HydrophobicContact CE2-CD2 4.49Å; Y116-L120 HydrophobicContact CE2-CG 4.41Å; Y116-L120 WeakPolarHBondContact O-CG 3.13Å; Y116-L120 PolarHBondContact O-N 2.85Å; L120-K124 VanDerWaalsContact O-CB 3.29Å; L120-K124 WeakPolarHBondContact O-CB 3.23Å; L120-K124 PolarHBondContact O-N 2.92Å
121	Q	96.8	Very high	94	Very high	11 Å²	11	33.2 Å²	33.2	5%	0.051	16%	0.158	C	C	.	.	H	α-helix	trans	-61.4	-54.6	172.5	179.1	74.2	71.7	0	0	111.3	L28 V99 Y102 Q117 Y118 Y119 K123 K124 D125	L28-Q121 HydrophobicContact CD1-CB 4.03Å; L28-Q121 HydrophobicContact CD2-CB 4.27Å; V99-Q121 HydrophobicContact CB-CB 4.47Å; V99-Q121 HydrophobicContact CB-CG 3.92Å; V99-Q121 HydrophobicContact CG2-CB 3.71Å; V99-Q121 HydrophobicContact CG2-CG 3.72Å; Y102-Q121 WeakPolarHBondContact OH-CG 3.43Å; Q117-Q121 PolarHBondContact O-N 3.32Å; Q117-Q121 VanDerWaalsContact O-N 3.09Å; Y118-Q121 WeakPolarHBondContact O-CB 3.49Å; Y118-Q121 PolarHBondContact O-N 3.28Å; Y119-Q121 VanDerWaalsContact C-N 3.29Å; Y119-Q121 PolarHBondContact O-N 2.75Å; Q121-K123 VanDerWaalsContact C-N 3.33Å; Q121-K123 PolarHBondContact O-N 2.98Å; Q121-K124 CarbonylContact O-C 3.51Å; Q121-K124 WeakPolarHBondContact O-CB 3.46Å; Q121-K124 PolarHBondContact O-N 3.33Å; Q121-K124 VanDerWaalsContact O-N 3.17Å; Q121-D125 PolarHBondContact NE2-OD1 3.43Å; Q121-D125 PolarHBondContact O-N 3.13Å
122	V	95.7	Very high	93.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-69.5	-31.9	-174.2	-60.7	0	0	0	0	112.5	Y102 Y118 Y119 D125 V126 Y205 I206 V209 F215	Y102-V122 HydrophobicContact CE1-CG1 4.27Å; Y118-V122 HydrophobicContact CD1-CG1 3.91Å; Y118-V122 HydrophobicContact CE1-CG1 3.84Å; Y118-V122 WeakPolarHBondContact O-CG2 3.38Å; Y118-V122 PolarHBondContact O-N 2.87Å; Y119-V122 WeakPolarHBondContact O-CG2 3.41Å; Y119-V122 PolarHBondContact O-N 2.85Å; V122-D125 WeakPolarHBondContact O-CB 3.32Å; V122-D125 PolarHBondContact O-N 3.25Å; V122-V126 WeakPolarHBondContact O-CG2 3.42Å; V122-V126 PolarHBondContact O-N 3.14Å; V122-Y205 HydrophobicContact CG2-CD1 3.93Å; V122-Y205 HydrophobicContact CG2-CE1 3.94Å; V122-I206 HydrophobicContact CG2-CG1 4.14Å; V122-V209 HydrophobicContact CB-CB 4.38Å; V122-V209 HydrophobicContact CB-CG1 3.8Å; V122-V209 HydrophobicContact CG1-CG1 4.31Å; V122-V209 HydrophobicContact CG2-CB 4.4Å; V122-V209 HydrophobicContact CG2-CG1 4.35Å; V122-F215 HydrophobicContact CG1-CE2 3.9Å
123	K	95.6	Very high	93.4	Very high	19 Å²	19	37.5 Å²	37.5	8%	0.083	17%	0.172	C	C	.	.	H	α-helix	trans	-59.6	-46.4	169.9	-179.9	-173	-170.4	170.5	0	111.5	Y119 Q121 V126 L127 D149 Y165 Y205	Y119-K123 HydrophobicContact CE1-CD 3.98Å; Y119-K123 HydrophobicContact CE2-CD 4.3Å; Y119-K123 WeakPolarHBondContact O-CB 3.47Å; Y119-K123 PolarHBondContact O-N 3.49Å; Y119-K123 WeakPolarHBondContact OH-CD 3.36Å; Y119-K123 WeakPolarHBondContact OH-CE 3.34Å; Y119-K123 PolarHBondContact OH-NZ 3.26Å; Q121-K123 VanDerWaalsContact C-N 3.33Å; Q121-K123 PolarHBondContact O-N 2.98Å; K123-V126 PolarHBondContact O-N 3.41Å; K123-L127 HydrophobicContact CG-CD1 4.27Å; K123-L127 WeakPolarHBondContact O-CG 3.31Å; K123-L127 PolarHBondContact O-N 3.45Å; K123-D149 IonicContact NZ-OD1 3.5Å; K123-D149 PolarHBondContact NZ-OD1 2.86Å; K123-D149 IonicContact NZ-OD2 3.39Å; K123-D149 PolarHBondContact NZ-OD2 3.4Å; K123-Y165 WeakPolarHBondContact CE-OH 3.36Å; K123-Y165 PolarHBondContact NZ-OH 3.05Å; K123-Y205 WeakPolarHBondContact CA-OH 3.1Å; K123-Y205 HydrophobicContact CB-CE1 4.02Å
124	K	93.9	Very high	93.3	Very high	48 Å²	48	39.9 Å²	39.9	21%	0.209	18%	0.184	C	C	.	.	H	α-helix	trans	-64.4	-39.3	173.1	-179.8	-178.5	175.8	-177.3	0	112.1	L120 Q121 V126 L127 E128	L120-K124 VanDerWaalsContact O-CB 3.29Å; L120-K124 WeakPolarHBondContact O-CB 3.23Å; L120-K124 PolarHBondContact O-N 2.92Å; Q121-K124 CarbonylContact O-C 3.51Å; Q121-K124 WeakPolarHBondContact O-CB 3.46Å; Q121-K124 PolarHBondContact O-N 3.33Å; Q121-K124 VanDerWaalsContact O-N 3.17Å; K124-V126 VanDerWaalsContact C-N 3.28Å; K124-V126 PolarHBondContact O-N 3.03Å; K124-L127 PolarHBondContact O-N 2.86Å; K124-E128 WeakPolarHBondContact CE-OE1 3.37Å; K124-E128 WeakPolarHBondContact CE-OE2 3.35Å; K124-E128 HydrophobicContact CG-CG 4.15Å; K124-E128 IonicContact NZ-OE1 2.8Å; K124-E128 WeakPolarHBondContact O-CB 3.28Å; K124-E128 WeakPolarHBondContact O-CG 3.41Å; K124-E128 PolarHBondContact O-N 2.88Å
125	D	93.1	Very high	93	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-35.1	177.1	-58.6	-15	0	0	0	111.7	Y102 Q121 V122 R130 L131	Y102-D125 PolarHBondContact OH-OD2 2.64Å; Q121-D125 PolarHBondContact NE2-OD1 3.43Å; Q121-D125 PolarHBondContact O-N 3.13Å; V122-D125 WeakPolarHBondContact O-CB 3.32Å; V122-D125 PolarHBondContact O-N 3.25Å; D125-R130 VanDerWaalsContact CG-NH1 3.32Å; D125-R130 WeakPolarHBondContact O-CA 3.42Å; D125-R130 WeakPolarHBondContact O-CB 3.1Å; D125-R130 PolarHBondContact O-N 3.31Å; D125-R130 IonicContact OD1-CZ 3.68Å; D125-R130 IonicContact OD1-NH1 3.09Å; D125-R130 PolarHBondContact OD1-NH1 3.17Å; D125-R130 IonicContact OD1-NH2 3.9Å; D125-R130 PolarHBondContact OD1-NH2 3.02Å; D125-R130 IonicContact OD2-NH1 2.66Å; D125-L131 HydrophobicContact CB-CD1 3.67Å; D125-L131 HydrophobicContact CB-CG 3.86Å; D125-L131 PolarHBondContact O-N 3.08Å; D125-L131 VanDerWaalsContact O-N 3.09Å
126	V	93.9	Very high	92.8	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.018	22%	0.224	C	C	.	.	H	α-helix	trans	-70.1	-53.2	170.5	171.5	0	0	0	0	111.2	V122 K123 K124 E128 G129 L131 L141 P169 V209 L212	V122-V126 WeakPolarHBondContact O-CG2 3.42Å; V122-V126 PolarHBondContact O-N 3.14Å; K123-V126 PolarHBondContact O-N 3.41Å; K124-V126 VanDerWaalsContact C-N 3.28Å; K124-V126 PolarHBondContact O-N 3.03Å; V126-E128 VanDerWaalsContact C-N 3.31Å; V126-E128 PolarHBondContact O-N 2.77Å; V126-G129 PolarHBondContact O-N 3.01Å; V126-L131 HydrophobicContact CG2-CB 4.23Å; V126-L131 HydrophobicContact CG2-CD1 4.19Å; V126-L141 HydrophobicContact CG1-CD1 4.47Å; V126-L141 HydrophobicContact CG2-CD1 4.25Å; V126-P169 HydrophobicContact CG1-CG 4.09Å; V126-P169 WeakPolarHBondContact O-CG 3.36Å; V126-V209 HydrophobicContact CG2-CG1 4.49Å; V126-V209 HydrophobicContact CG2-CG2 4.04Å; V126-L212 HydrophobicContact CG2-CD1 4.43Å
127	L	92.4	Very high	92.6	Very high	35 Å²	35	45.5 Å²	45.5	18%	0.183	22%	0.218	C	C	.	.	H	α-helix	trans	-66.2	-28.3	-174.3	-68.8	176.9	0	0	0	114	K123 K124 G129 V166 P169 M170	K123-L127 HydrophobicContact CG-CD1 4.27Å; K123-L127 WeakPolarHBondContact O-CG 3.31Å; K123-L127 PolarHBondContact O-N 3.45Å; K124-L127 PolarHBondContact O-N 2.86Å; L127-G129 PolarHBondContact O-N 3.03Å; L127-V166 HydrophobicContact CD1-CG1 4.21Å; L127-V166 HydrophobicContact CD2-CG1 4.31Å; L127-P169 WeakPolarHBondContact O-CA 3.22Å; L127-M170 PolarHBondContact O-N 3.43Å
128	E	90.4	Very high	92.5	Very high	86 Å²	86	45.3 Å²	45.3	40%	0.402	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	6.4	172	-68.4	180	159.3	0	0	113.4	K124 V126 R130	K124-E128 WeakPolarHBondContact CE-OE1 3.37Å; K124-E128 WeakPolarHBondContact CE-OE2 3.35Å; K124-E128 HydrophobicContact CG-CG 4.15Å; K124-E128 IonicContact NZ-OE1 2.8Å; K124-E128 WeakPolarHBondContact O-CB 3.28Å; K124-E128 WeakPolarHBondContact O-CG 3.41Å; K124-E128 PolarHBondContact O-N 2.88Å; V126-E128 VanDerWaalsContact C-N 3.31Å; V126-E128 PolarHBondContact O-N 2.77Å; E128-R130 HydrophobicContact CB-CG 4.23Å; E128-R130 PolarHBondContact O-N 2.75Å; E128-R130 IonicContact OE2-CZ 2.91Å; E128-R130 IonicContact OE2-NE 3.63Å; E128-R130 PolarHBondContact OE2-NE 3.46Å; E128-R130 IonicContact OE2-NH2 3.68Å; E128-R130 PolarHBondContact OE2-NH2 3.33Å
129	G	87.9	Confident	92.3	Very high	27 Å²	27	46.3 Å²	46.3	28%	0.278	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	13.7	-179.6	0	0	0	0	0	114.3	V126 L127	V126-G129 PolarHBondContact O-N 3.01Å; L127-G129 PolarHBondContact O-N 3.03Å
130	R	87.9	Confident	92.2	Very high	119 Å²	119	50.1 Å²	50.1	45%	0.449	24%	0.236	S	C	.	.			trans	-76.4	-25.1	-179.3	-64.7	-167.5	-83.2	106.4	2.7	112.2	D125 E128	D125-R130 VanDerWaalsContact CG-NH1 3.32Å; D125-R130 WeakPolarHBondContact O-CA 3.42Å; D125-R130 WeakPolarHBondContact O-CB 3.1Å; D125-R130 PolarHBondContact O-N 3.31Å; D125-R130 IonicContact OD1-CZ 3.68Å; D125-R130 IonicContact OD1-NH1 3.09Å; D125-R130 PolarHBondContact OD1-NH1 3.17Å; D125-R130 IonicContact OD1-NH2 3.9Å; D125-R130 PolarHBondContact OD1-NH2 3.02Å; D125-R130 IonicContact OD2-NH1 2.66Å; E128-R130 HydrophobicContact CB-CG 4.23Å; E128-R130 PolarHBondContact O-N 2.75Å; E128-R130 IonicContact OE2-CZ 2.91Å; E128-R130 IonicContact OE2-NE 3.63Å; E128-R130 PolarHBondContact OE2-NE 3.46Å; E128-R130 IonicContact OE2-NH2 3.68Å; E128-R130 PolarHBondContact OE2-NH2 3.33Å
131	L	90	Very high	92.2	Very high	8 Å²	8	49.6 Å²	49.6	4%	0.042	23%	0.234	C	C	.	.	S	Bend	trans	-110.1	124.7	172.8	-60.4	180	0	0	0	110.8	D125 V126 C133 V209 L212 G214	D125-L131 HydrophobicContact CB-CD1 3.67Å; D125-L131 HydrophobicContact CB-CG 3.86Å; D125-L131 PolarHBondContact O-N 3.08Å; D125-L131 VanDerWaalsContact O-N 3.09Å; V126-L131 HydrophobicContact CG2-CB 4.23Å; V126-L131 HydrophobicContact CG2-CD1 4.19Å; L131-C133 PolarHBondContact O-N 3.16Å; L131-C133 PolarHBondContact O-SG 2.82Å; L131-V209 HydrophobicContact CD1-CG1 3.41Å; L131-V209 VanDerWaalsContact CD1-CG1 3.41Å; L131-L212 HydrophobicContact CB-CD1 4.36Å; L131-G214 WeakPolarHBondContact CD2-O 3.41Å
132	R	84.3	Confident	92.2	Very high	211 Å²	211	49.4 Å²	49.4	80%	0.796	23%	0.234	S	C	*	.			trans	-80.2	117.2	-176.1	-69.6	-178.6	175.6	-174.4	-4	110.4
133	C	89	Confident	92.2	Very high	35 Å²	35	49.4 Å²	49.4	24%	0.236	23%	0.234	C	C	.	.			trans	-116.5	145.8	-179.3	-55.6	0	0	0	0	109.9	L131 Q137 V138 L212	L131-C133 PolarHBondContact O-N 3.16Å; L131-C133 PolarHBondContact O-SG 2.82Å; C133-Q137 HydrophobicContact CB-CB 4.21Å; C133-V138 HydrophobicContact CB-CG2 3.44Å; C133-V138 VanDerWaalsContact CB-CG2 3.44Å; C133-L212 VanDerWaalsContact SG-CD1 3.53Å
134	T	91.4	Very high	92.2	Very high	78 Å²	78	48.7 Å²	48.7	48%	0.479	23%	0.231	S	C	.	.			trans	-72.6	159.8	161.5	70.6	0	0	0	0	110.2	E136 Q137 V138	T134-E136 PolarHBondContact O-N 3.42Å; T134-Q137 WeakPolarHBondContact O-CB 3.26Å; T134-Q137 PolarHBondContact O-N 3.15Å; T134-Q137 WeakPolarHBondContact OG1-CG 3.01Å; T134-Q137 PolarHBondContact OG1-N 3.47Å; T134-Q137 PolarHBondContact OG1-OE1 2.58Å; T134-V138 WeakPolarHBondContact O-CG2 2.84Å; T134-V138 PolarHBondContact O-N 3.1Å
135	L	89.8	Confident	92.4	Very high	82 Å²	82	46.6 Å²	46.6	43%	0.429	22%	0.223	S	C	.	.	H	α-helix	trans	-57.9	-35.2	178.5	-173.3	60.4	0	0	0	112.6	V138 I139 L182	L135-V138 PolarHBondContact O-N 2.88Å; L135-I139 HydrophobicContact CG-CD1 4.32Å; L135-I139 WeakPolarHBondContact O-CD1 3.21Å; L135-I139 VanDerWaalsContact O-CG1 3.24Å; L135-I139 WeakPolarHBondContact O-CG1 3.24Å; L135-I139 PolarHBondContact O-N 3.44Å; L135-L182 HydrophobicContact CD1-CD1 4.09Å; L135-L182 HydrophobicContact CD1-CD2 3.87Å; L135-L182 HydrophobicContact CD2-CD2 4.08Å; L135-L182 HydrophobicContact CG-CD2 4.08Å
136	E	91.6	Very high	92.5	Very high	121 Å²	121	46.5 Å²	46.5	57%	0.565	22%	0.222	S	C	*	.	H	α-helix	trans	-66.2	-44.4	174	-167	-163.9	135.2	0	0	111.8	T134 V138 I139 R140	T134-E136 PolarHBondContact O-N 3.42Å; E136-V138 VanDerWaalsContact C-N 3.32Å; E136-V138 PolarHBondContact O-N 3.41Å; E136-I139 PolarHBondContact O-N 3.14Å; E136-R140 WeakPolarHBondContact O-CB 3.3Å; E136-R140 PolarHBondContact O-N 3.45Å; E136-R140 IonicContact OE1-CZ 3.06Å; E136-R140 IonicContact OE1-NH2 3.34Å; E136-R140 PolarHBondContact OE1-NH2 3.03Å
137	Q	93.5	Very high	92.5	Very high	48 Å²	48	46.4 Å²	46.4	22%	0.224	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-40.6	175.3	-73	172	-43.6	0	0	111.5	C133 T134 R140 L141	C133-Q137 HydrophobicContact CB-CB 4.21Å; T134-Q137 WeakPolarHBondContact O-CB 3.26Å; T134-Q137 PolarHBondContact O-N 3.15Å; T134-Q137 WeakPolarHBondContact OG1-CG 3.01Å; T134-Q137 PolarHBondContact OG1-N 3.47Å; T134-Q137 PolarHBondContact OG1-OE1 2.58Å; Q137-R140 PolarHBondContact O-N 3.11Å; Q137-L141 VanDerWaalsContact O-CB 3.24Å; Q137-L141 WeakPolarHBondContact O-CB 3.48Å; Q137-L141 WeakPolarHBondContact O-CG 3.44Å; Q137-L141 PolarHBondContact O-N 3.47Å
138	V	93.2	Very high	92.6	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.03	22%	0.217	C	C	.	.	H	α-helix	trans	-61	-46.4	174.9	177.2	0	0	0	0	111.1	C133 T134 L135 E136 R140 L141 A142 F168 P169 L172	C133-V138 HydrophobicContact CB-CG2 3.44Å; C133-V138 VanDerWaalsContact CB-CG2 3.44Å; T134-V138 WeakPolarHBondContact O-CG2 2.84Å; T134-V138 PolarHBondContact O-N 3.1Å; L135-V138 PolarHBondContact O-N 2.88Å; E136-V138 VanDerWaalsContact C-N 3.32Å; E136-V138 PolarHBondContact O-N 3.41Å; V138-R140 PolarHBondContact O-N 3.5Å; V138-L141 PolarHBondContact O-N 3.27Å; V138-A142 WeakPolarHBondContact O-CB 3.49Å; V138-A142 PolarHBondContact O-N 3.16Å; V138-F168 HydrophobicContact CG1-CD1 3.68Å; V138-F168 HydrophobicContact CG1-CE1 4.36Å; V138-P169 HydrophobicContact CG1-CG 4.36Å; V138-P169 HydrophobicContact CG2-CG 4.12Å; V138-L172 HydrophobicContact CG1-CD1 4.34Å; V138-L172 HydrophobicContact CG2-CD1 4.28Å
139	I	94.5	Very high	92.7	Very high	20 Å²	20	42.1 Å²	42.1	10%	0.103	20%	0.203	C	C	.	.	H	α-helix	trans	-62.1	-44.1	178.6	-64.9	160.6	0	0	0	111	L135 E136 A142 G143 L182 K185 V186 E189	L135-I139 HydrophobicContact CG-CD1 4.32Å; L135-I139 WeakPolarHBondContact O-CD1 3.21Å; L135-I139 VanDerWaalsContact O-CG1 3.24Å; L135-I139 WeakPolarHBondContact O-CG1 3.24Å; L135-I139 PolarHBondContact O-N 3.44Å; E136-I139 PolarHBondContact O-N 3.14Å; I139-A142 PolarHBondContact O-N 3.03Å; I139-G143 PolarHBondContact O-N 3.42Å; I139-L182 HydrophobicContact CD1-CD2 3.72Å; I139-L182 HydrophobicContact CG1-CD2 4.18Å; I139-K185 HydrophobicContact CD1-CB 4.3Å; I139-K185 HydrophobicContact CD1-CD 4.09Å; I139-K185 HydrophobicContact CG2-CB 3.88Å; I139-V186 HydrophobicContact CG2-CG2 4.17Å; I139-E189 HydrophobicContact CG2-CG 3.92Å
140	R	95.2	Very high	92.9	Very high	80 Å²	80	41.1 Å²	41.1	30%	0.302	19%	0.191	S	C	.	.	H	α-helix	trans	-62.9	-47.7	178	-173.6	-175.6	-59.4	-73.3	1	111.9	E136 Q137 V138 G143 L144	E136-R140 WeakPolarHBondContact O-CB 3.3Å; E136-R140 PolarHBondContact O-N 3.45Å; E136-R140 IonicContact OE1-CZ 3.06Å; E136-R140 IonicContact OE1-NH2 3.34Å; E136-R140 PolarHBondContact OE1-NH2 3.03Å; Q137-R140 PolarHBondContact O-N 3.11Å; V138-R140 PolarHBondContact O-N 3.5Å; R140-G143 PolarHBondContact O-N 2.85Å; R140-L144 PolarHBondContact O-N 3.03Å
141	L	96.4	Very high	92.9	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-63.6	-43.5	176.1	-72.6	172	0	0	0	111.1	V126 Q137 V138 G143 L144 A145 Y205 E208 V209 L212	V126-L141 HydrophobicContact CG1-CD1 4.47Å; V126-L141 HydrophobicContact CG2-CD1 4.25Å; Q137-L141 VanDerWaalsContact O-CB 3.24Å; Q137-L141 WeakPolarHBondContact O-CB 3.48Å; Q137-L141 WeakPolarHBondContact O-CG 3.44Å; Q137-L141 PolarHBondContact O-N 3.47Å; V138-L141 PolarHBondContact O-N 3.27Å; L141-G143 PolarHBondContact O-N 3.41Å; L141-L144 PolarHBondContact O-N 3.48Å; L141-A145 WeakPolarHBondContact O-CB 3.11Å; L141-A145 PolarHBondContact O-N 3.37Å; L141-Y205 HydrophobicContact CB-CD2 4.27Å; L141-Y205 HydrophobicContact CB-CE2 3.65Å; L141-Y205 HydrophobicContact CD2-CD1 4.3Å; L141-Y205 HydrophobicContact CD2-CD2 3.84Å; L141-Y205 HydrophobicContact CD2-CE1 4.26Å; L141-Y205 HydrophobicContact CD2-CE2 3.82Å; L141-Y205 HydrophobicContact CD2-CG 4.07Å; L141-Y205 HydrophobicContact CG-CE2 4.3Å; L141-Y205 WeakPolarHBondContact O-CD2 3.1Å; L141-Y205 WeakPolarHBondContact O-CE2 3.32Å; L141-E208 HydrophobicContact CD2-CB 3.94Å; L141-E208 HydrophobicContact CD2-CG 4Å; L141-V209 HydrophobicContact CD1-CG2 3.96Å; L141-V209 HydrophobicContact CD2-CG2 3.61Å; L141-V209 HydrophobicContact CG-CG2 4.46Å; L141-L212 HydrophobicContact CD1-CD1 4.24Å
142	A	95.6	Very high	93	Very high	7 Å²	7	38 Å²	38	6%	0.058	19%	0.185	C	C	.	.	H	α-helix	trans	-59.9	-44.4	175.1	0	0	0	0	0	111.5	V138 I139 L144 A145 V146 L167 V186	V138-A142 WeakPolarHBondContact O-CB 3.49Å; V138-A142 PolarHBondContact O-N 3.16Å; I139-A142 PolarHBondContact O-N 3.03Å; A142-L144 PolarHBondContact O-N 3.01Å; A142-A145 PolarHBondContact O-N 2.87Å; A142-V146 WeakPolarHBondContact O-CG2 3.41Å; A142-V146 PolarHBondContact O-N 3.42Å; A142-L167 HydrophobicContact CB-CD2 4.23Å; A142-V186 HydrophobicContact CB-CB 4.47Å; A142-V186 HydrophobicContact CB-CG1 3.96Å; A142-V186 HydrophobicContact CB-CG2 3.62Å
143	G	95.9	Very high	93.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.5	-45	174.3	0	0	0	0	0	113.2	I139 R140 L141 V146 Q147	I139-G143 PolarHBondContact O-N 3.42Å; R140-G143 PolarHBondContact O-N 2.85Å; L141-G143 PolarHBondContact O-N 3.41Å; G143-V146 PolarHBondContact O-N 2.79Å; G143-Q147 PolarHBondContact O-N 3.26Å
144	L	97.1	Very high	92.9	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.026	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-38.8	173.6	-73.6	171.3	0	0	0	112.5	R140 L141 A142 V146 Q147 A148 H193 M204 Y205	R140-L144 PolarHBondContact O-N 3.03Å; L141-L144 PolarHBondContact O-N 3.48Å; A142-L144 PolarHBondContact O-N 3.01Å; L144-V146 VanDerWaalsContact C-N 3.33Å; L144-Q147 PolarHBondContact O-N 2.9Å; L144-A148 WeakPolarHBondContact O-CB 3.2Å; L144-A148 PolarHBondContact O-N 2.98Å; L144-H193 WeakPolarHBondContact CD2-NE2 3.22Å; L144-M204 HydrophobicContact CD1-CB 4.11Å; L144-M204 HydrophobicContact CD2-CB 3.86Å; L144-M204 HydrophobicContact CD2-CE 4.07Å; L144-M204 HydrophobicContact CD2-SD 4.3Å; L144-Y205 HydrophobicContact CB-CD2 4.05Å
145	A	96.3	Very high	92.3	Very high	4 Å²	4	36 Å²	36	3%	0.033	18%	0.178	C	C	.	.	H	α-helix	trans	-69.6	-29.7	177.1	0	0	0	0	0	112.9	Y119 L141 A142 D149 Y205	Y119-A145 WeakPolarHBondContact OH-CA 3.29Å; Y119-A145 WeakPolarHBondContact OH-CB 3.34Å; L141-A145 WeakPolarHBondContact O-CB 3.11Å; L141-A145 PolarHBondContact O-N 3.37Å; A142-A145 PolarHBondContact O-N 2.87Å; A145-D149 WeakPolarHBondContact O-CB 3.48Å; A145-D149 PolarHBondContact O-N 2.98Å; A145-Y205 HydrophobicContact CB-CD2 4.1Å; A145-Y205 HydrophobicContact CB-CE2 3.81Å
146	V	95.1	Very high	91.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-73.2	-41.2	171.1	-179.2	0	0	0	0	110.6	A142 G143 L144 A148 F150 F161 L162 Y165 L167 V186 H190	A142-V146 WeakPolarHBondContact O-CG2 3.41Å; A142-V146 PolarHBondContact O-N 3.42Å; G143-V146 PolarHBondContact O-N 2.79Å; L144-V146 VanDerWaalsContact C-N 3.33Å; V146-A148 VanDerWaalsContact C-N 3.26Å; V146-A148 PolarHBondContact O-N 2.8Å; V146-F150 HydrophobicContact CB-CD2 4.21Å; V146-F150 HydrophobicContact CG1-CB 4.33Å; V146-F150 HydrophobicContact CG1-CD2 3.73Å; V146-F150 HydrophobicContact CG1-CE2 4.32Å; V146-F150 HydrophobicContact CG1-CG 4.19Å; V146-F150 HydrophobicContact CG2-CE2 4.49Å; V146-F150 VanDerWaalsContact O-CB 3.32Å; V146-F150 WeakPolarHBondContact O-CB 3.46Å; V146-F150 VanDerWaalsContact O-CD2 3.28Å; V146-F150 WeakPolarHBondContact O-CD2 3.3Å; V146-F150 PolarHBondContact O-N 3.26Å; V146-F161 HydrophobicContact CG1-CE2 4.21Å; V146-F161 HydrophobicContact CG1-CZ 4.2Å; V146-L162 HydrophobicContact CB-CD2 4.49Å; V146-L162 HydrophobicContact CG1-CD2 3.89Å; V146-L162 HydrophobicContact CG2-CD2 3.69Å; V146-Y165 HydrophobicContact CG2-CD1 4.17Å; V146-Y165 HydrophobicContact CG2-CE1 3.82Å; V146-L167 HydrophobicContact CG2-CD2 3.7Å; V146-V186 HydrophobicContact CG2-CG1 4.16Å; V146-H190 HydrophobicContact CB-CB 4.4Å; V146-H190 HydrophobicContact CG1-CB 4.33Å; V146-H190 WeakPolarHBondContact CG1-CE1 3.23Å; V146-H190 WeakPolarHBondContact CG1-ND1 3.44Å
147	Q	95.3	Very high	90.7	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-62.5	-34.4	173.8	-171.8	68	25.2	0	0	112.3	G143 L144 G151 D152 H190 H193 I196 A201	G143-Q147 PolarHBondContact O-N 3.26Å; L144-Q147 PolarHBondContact O-N 2.9Å; Q147-G151 WeakPolarHBondContact O-CA 3.04Å; Q147-G151 PolarHBondContact O-N 3.15Å; Q147-G151 VanDerWaalsContact O-N 3.14Å; Q147-G151 PolarHBondContact OE1-O 3.47Å; Q147-D152 PolarHBondContact NE2-OD1 3.32Å; Q147-H190 PolarHBondContact OE1-CD2 3.12Å; Q147-H190 VanDerWaalsContact OE1-CD2 3.24Å; Q147-H190 PolarHBondContact OE1-NE2 3.17Å; Q147-H193 HydrophobicContact CB-CB 3.99Å; Q147-H193 VanDerWaalsContact CD-O 3.29Å; Q147-H193 HydrophobicContact CG-CB 3.9Å; Q147-H193 PolarHBondContact NE2-O 3.33Å; Q147-H193 PolarHBondContact OE1-O 3.44Å; Q147-I196 HydrophobicContact CG-CB 4.31Å; Q147-I196 PolarHBondContact NE2-O 3.48Å; Q147-A201 HydrophobicContact CB-CB 3.99Å; Q147-A201 HydrophobicContact CG-CB 3.93Å
148	A	94.9	Very high	90.1	Very high	11 Å²	11	38.5 Å²	38.5	9%	0.091	20%	0.198	C	C	.	.	H	α-helix	trans	-70.4	-52	176.6	0	0	0	0	0	113.1	Y119 L144 V146 A201 E202	Y119-A148 HydrophobicContact CE1-CB 4.37Å; Y119-A148 HydrophobicContact CE2-CB 4.33Å; L144-A148 WeakPolarHBondContact O-CB 3.2Å; L144-A148 PolarHBondContact O-N 2.98Å; V146-A148 VanDerWaalsContact C-N 3.26Å; V146-A148 PolarHBondContact O-N 2.8Å; A148-A201 HydrophobicContact CB-CB 4.07Å; A148-E202 HydrophobicContact CB-CG 4.14Å
149	D	91.8	Very high	89.6	Confident	20 Å²	20	40 Å²	40	11%	0.107	21%	0.205	C	C	.	.	H	α-helix	trans	-77.3	-27.5	-175.3	-78	25.4	0	0	0	113.5	Y119 K123 A145 Y165 G870	Y119-D149 PolarHBondContact OH-OD1 2.95Å; K123-D149 IonicContact NZ-OD1 3.5Å; K123-D149 PolarHBondContact NZ-OD1 2.86Å; K123-D149 IonicContact NZ-OD2 3.39Å; K123-D149 PolarHBondContact NZ-OD2 3.4Å; A145-D149 WeakPolarHBondContact O-CB 3.48Å; A145-D149 PolarHBondContact O-N 2.98Å; D149-Y165 PolarHBondContact OD2-OH 3.07Å; D149-Y165 VanDerWaalsContact OD2-OH 3.05Å; D149-G870 WeakPolarHBondContact O-CA 3.44Å; D149-G870 PolarHBondContact O-N 3.14Å; D149-G870 VanDerWaalsContact O-N 3.16Å
150	F	91.3	Very high	89	Confident	7 Å²	7	45 Å²	45	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-122.4	-8.3	-167.8	-54	-101.2	0	0	0	114.4	V146 F156 F161 Y165 L868	V146-F150 HydrophobicContact CB-CD2 4.21Å; V146-F150 HydrophobicContact CG1-CB 4.33Å; V146-F150 HydrophobicContact CG1-CD2 3.73Å; V146-F150 HydrophobicContact CG1-CE2 4.32Å; V146-F150 HydrophobicContact CG1-CG 4.19Å; V146-F150 HydrophobicContact CG2-CE2 4.49Å; V146-F150 VanDerWaalsContact O-CB 3.32Å; V146-F150 WeakPolarHBondContact O-CB 3.46Å; V146-F150 VanDerWaalsContact O-CD2 3.28Å; V146-F150 WeakPolarHBondContact O-CD2 3.3Å; V146-F150 PolarHBondContact O-N 3.26Å; F150-F156 HydrophobicContact CB-CE2 4.09Å; F150-F156 HydrophobicContact CD1-CZ 4.47Å; F150-F161 AromaticContact CD1-CD2 3.9Å; F150-F161 HydrophobicContact CD1-CD2 3.9Å; F150-F161 AromaticContact CD1-CE2 3.47Å; F150-F161 HydrophobicContact CD1-CE2 3.47Å; F150-F161 VanDerWaalsContact CD1-CE2 3.47Å; F150-F161 HydrophobicContact CD1-CZ 4.26Å; F150-F161 HydrophobicContact CD2-CE2 4.34Å; F150-F161 AromaticContact CE1-CD2 3.62Å; F150-F161 HydrophobicContact CE1-CD2 3.62Å; F150-F161 AromaticContact CE1-CE2 3.56Å; F150-F161 HydrophobicContact CE1-CE2 3.56Å; F150-F161 HydrophobicContact CE2-CE2 4.42Å; F150-F161 AromaticContact CG-CE2 3.89Å; F150-F161 HydrophobicContact CG-CE2 3.89Å; F150-F161 HydrophobicContact CG-CZ 4.48Å; F150-F161 HydrophobicContact CZ-CD2 4.24Å; F150-F161 HydrophobicContact CZ-CE2 4.06Å; F150-Y165 AromaticContact CE2-CD1 3.9Å; F150-Y165 HydrophobicContact CE2-CD1 3.9Å; F150-Y165 HydrophobicContact CE2-CD2 4.11Å; F150-Y165 AromaticContact CE2-CE1 3.69Å; F150-Y165 HydrophobicContact CE2-CE1 3.69Å; F150-Y165 AromaticContact CE2-CE2 3.91Å; F150-Y165 HydrophobicContact CE2-CE2 3.91Å; F150-Y165 HydrophobicContact CE2-CG 4.12Å; F150-Y165 AromaticContact CE2-CZ 3.7Å; F150-Y165 AromaticContact CZ-CD1 3.98Å; F150-Y165 HydrophobicContact CZ-CD1 3.98Å; F150-Y165 AromaticContact CZ-CD2 3.73Å; F150-Y165 HydrophobicContact CZ-CD2 3.73Å; F150-Y165 HydrophobicContact CZ-CE1 4.19Å; F150-Y165 AromaticContact CZ-CE2 3.96Å; F150-Y165 HydrophobicContact CZ-CE2 3.96Å; F150-Y165 AromaticContact CZ-CG 3.76Å; F150-Y165 HydrophobicContact CZ-CG 3.76Å; F150-L868 VanDerWaalsContact CE1-CA 3.5Å; F150-L868 HydrophobicContact CE1-CB 3.92Å; F150-L868 HydrophobicContact CE1-CD2 3.51Å; F150-L868 HydrophobicContact CE1-CG 4.26Å; F150-L868 VanDerWaalsContact CE1-O 3.32Å; F150-L868 WeakPolarHBondContact CE1-O 3.35Å; F150-L868 HydrophobicContact CZ-CD2 4.19Å; F150-L868 WeakPolarHBondContact CZ-O 3.36Å
151	G	89.6	Confident	88.5	Confident	8 Å²	8	42.5 Å²	42.5	8%	0.082	22%	0.219	C	C	.	.			trans	68.6	-151.7	-172.6	0	0	0	0	0	112.9	Q147 H190	Q147-G151 WeakPolarHBondContact O-CA 3.04Å; Q147-G151 PolarHBondContact O-N 3.15Å; Q147-G151 VanDerWaalsContact O-N 3.14Å; Q147-G151 PolarHBondContact OE1-O 3.47Å; G151-H190 PolarHBondContact O-NE2 3.46Å
152	D	90.3	Very high	88.1	Confident	53 Å²	53	42.5 Å²	42.5	28%	0.283	22%	0.219	S	C	.	.			trans	-66.7	140.6	-170.1	-72.1	-28.3	0	0	0	114.4	Q147 N154 Q155 G195	Q147-D152 PolarHBondContact NE2-OD1 3.32Å; D152-N154 PolarHBondContact O-N 3.25Å; D152-Q155 HydrophobicContact CB-CG 4.12Å; D152-Q155 VanDerWaalsContact N-NE2 3.18Å; D152-Q155 WeakPolarHBondContact O-CB 3.49Å; D152-Q155 WeakPolarHBondContact O-CG 3.46Å; D152-Q155 PolarHBondContact O-N 2.79Å; D152-G195 PolarHBondContact OD1-N 3.07Å
153	Y	87.4	Confident	87.5	Confident	53 Å²	53	50 Å²	50	21%	0.208	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-44.1	-34.5	173.8	-177.8	-91.2	0	0	0	115.5	Q155 Q159 A187 H190 K191	Y153-Q155 VanDerWaalsContact C-N 3.34Å; Y153-Q155 PolarHBondContact O-N 2.75Å; Y153-Q159 HydrophobicContact CE2-CG 3.69Å; Y153-Q159 PolarHBondContact O-NE2 2.58Å; Y153-Q159 VanDerWaalsContact O-NE2 3.1Å; Y153-A187 WeakPolarHBondContact CD2-O 3.39Å; Y153-A187 HydrophobicContact CE2-CB 4.26Å; Y153-A187 WeakPolarHBondContact CE2-O 3.48Å; Y153-H190 WeakPolarHBondContact CA-CE1 3.21Å; Y153-H190 HydrophobicContact CD2-CB 4.36Å; Y153-H190 AromaticContact CD2-ND1 3.6Å; Y153-H190 PolarHBondContact N-NE2 3.31Å; Y153-K191 HydrophobicContact CD1-CB 4.13Å; Y153-K191 HydrophobicContact CD1-CD 4.21Å; Y153-K191 HydrophobicContact CD1-CG 3.94Å; Y153-K191 HydrophobicContact CD2-CB 3.71Å; Y153-K191 HydrophobicContact CD2-CG 4.43Å; Y153-K191 HydrophobicContact CE1-CB 4.4Å; Y153-K191 HydrophobicContact CE1-CD 3.97Å; Y153-K191 HydrophobicContact CE1-CG 4.21Å; Y153-K191 HydrophobicContact CE2-CB 4Å; Y153-K191 HydrophobicContact CG-CB 3.78Å; Y153-K191 HydrophobicContact CG-CG 4.07Å
154	N	83.9	Confident	86.9	Confident	122 Å²	122	56.1 Å²	56.1	65%	0.652	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-87.1	6.9	-176.8	-50.5	-70.8	0	0	0	114.3	D152 F156	D152-N154 PolarHBondContact O-N 3.25Å; N154-F156 VanDerWaalsContact C-N 3.33Å
155	Q	79.3	Confident	86.4	Confident	108 Å²	108	58 Å²	58	51%	0.505	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-78.9	-14.7	177.9	-65.8	-173	31	0	0	113.6	D152 Y153	D152-Q155 HydrophobicContact CB-CG 4.12Å; D152-Q155 VanDerWaalsContact N-NE2 3.18Å; D152-Q155 WeakPolarHBondContact O-CB 3.49Å; D152-Q155 WeakPolarHBondContact O-CG 3.46Å; D152-Q155 PolarHBondContact O-N 2.79Å; Y153-Q155 VanDerWaalsContact C-N 3.34Å; Y153-Q155 PolarHBondContact O-N 2.75Å
156	F	77.7	Confident	86.1	Confident	64 Å²	64	62.3 Å²	62.3	28%	0.281	31%	0.308	S	S	.	.	S	Bend	trans	-123.1	137.1	-177.9	-60.2	-89.2	0	0	0	111.5	F150 N154 S158 F161	F150-F156 HydrophobicContact CB-CE2 4.09Å; F150-F156 HydrophobicContact CD1-CZ 4.47Å; N154-F156 VanDerWaalsContact C-N 3.33Å; F156-S158 PolarHBondContact O-N 2.84Å; F156-F161 HydrophobicContact CB-CD1 4.34Å; F156-F161 HydrophobicContact CB-CE1 4.15Å; F156-F161 HydrophobicContact CD2-CE1 4.06Å; F156-F161 HydrophobicContact CD2-CZ 4.38Å; F156-F161 HydrophobicContact CG-CD1 4.31Å; F156-F161 HydrophobicContact CG-CE1 4.1Å
157	D	71.4	Confident	85.8	Confident	187 Å²	187	62.8 Å²	62.8	100%	1	31%	0.31	S	S	*	.	S	Bend	trans	-66	-23.7	-179.2	-67.9	-46.7	0	0	0	113.6
158	S	80.3	Confident	85.6	Confident	51 Å²	51	63.9 Å²	63.9	36%	0.357	32%	0.315	S	S	.	.			trans	-140.4	158.1	174.1	92.8	0	0	0	0	111.2	F156 E160 F161	F156-S158 PolarHBondContact O-N 2.84Å; S158-E160 VanDerWaalsContact C-N 3.34Å; S158-E160 WeakPolarHBondContact OG-CB 3.37Å; S158-E160 WeakPolarHBondContact OG-CG 3.39Å; S158-E160 PolarHBondContact OG-N 2.9Å; S158-E160 PolarHBondContact OG-OE2 3.05Å; S158-F161 WeakPolarHBondContact O-CD1 3.4Å
159	Q	82.8	Confident	85.3	Confident	38 Å²	38	63.8 Å²	63.8	18%	0.178	31%	0.313	C	S	.	.	S	Bend	trans	-96.4	14.6	176.8	-61.8	-65.6	-46.7	0	0	112.1	Y153 F161 L162	Y153-Q159 HydrophobicContact CE2-CG 3.69Å; Y153-Q159 PolarHBondContact O-NE2 2.58Å; Y153-Q159 VanDerWaalsContact O-NE2 3.1Å; Q159-F161 PolarHBondContact O-N 3Å; Q159-L162 HydrophobicContact CB-CD1 4.17Å; Q159-L162 WeakPolarHBondContact O-CB 3.4Å; Q159-L162 WeakPolarHBondContact O-CG 3.13Å; Q159-L162 PolarHBondContact O-N 2.81Å
160	E	81.9	Confident	84.9	Confident	123 Å²	123	70.7 Å²	70.7	58%	0.575	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-65.9	-24.4	-177.3	-65.8	170.7	120	0	0	112.3	S158 L162 R163	S158-E160 VanDerWaalsContact C-N 3.34Å; S158-E160 WeakPolarHBondContact OG-CB 3.37Å; S158-E160 WeakPolarHBondContact OG-CG 3.39Å; S158-E160 PolarHBondContact OG-N 2.9Å; S158-E160 PolarHBondContact OG-OE2 3.05Å; E160-L162 PolarHBondContact O-N 3.09Å; E160-R163 WeakPolarHBondContact O-CB 3.2Å; E160-R163 PolarHBondContact O-N 3.08Å
161	F	84.9	Confident	84.3	Confident	28 Å²	28	75.9 Å²	75.9	12%	0.123	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-57.3	-28.3	176.4	78.8	-98.5	0	0	0	113	V146 F150 F156 S158 Q159 R163 E164 L868	V146-F161 HydrophobicContact CG1-CE2 4.21Å; V146-F161 HydrophobicContact CG1-CZ 4.2Å; F150-F161 AromaticContact CD1-CD2 3.9Å; F150-F161 HydrophobicContact CD1-CD2 3.9Å; F150-F161 AromaticContact CD1-CE2 3.47Å; F150-F161 HydrophobicContact CD1-CE2 3.47Å; F150-F161 VanDerWaalsContact CD1-CE2 3.47Å; F150-F161 HydrophobicContact CD1-CZ 4.26Å; F150-F161 HydrophobicContact CD2-CE2 4.34Å; F150-F161 AromaticContact CE1-CD2 3.62Å; F150-F161 HydrophobicContact CE1-CD2 3.62Å; F150-F161 AromaticContact CE1-CE2 3.56Å; F150-F161 HydrophobicContact CE1-CE2 3.56Å; F150-F161 HydrophobicContact CE2-CE2 4.42Å; F150-F161 AromaticContact CG-CE2 3.89Å; F150-F161 HydrophobicContact CG-CE2 3.89Å; F150-F161 HydrophobicContact CG-CZ 4.48Å; F150-F161 HydrophobicContact CZ-CD2 4.24Å; F150-F161 HydrophobicContact CZ-CE2 4.06Å; F156-F161 HydrophobicContact CB-CD1 4.34Å; F156-F161 HydrophobicContact CB-CE1 4.15Å; F156-F161 HydrophobicContact CD2-CE1 4.06Å; F156-F161 HydrophobicContact CD2-CZ 4.38Å; F156-F161 HydrophobicContact CG-CD1 4.31Å; F156-F161 HydrophobicContact CG-CE1 4.1Å; S158-F161 WeakPolarHBondContact O-CD1 3.4Å; Q159-F161 PolarHBondContact O-N 3Å; F161-R163 PolarHBondContact O-N 3.34Å; F161-E164 PolarHBondContact O-N 3.21Å; F161-E164 VanDerWaalsContact O-N 3.11Å; F161-L868 HydrophobicContact CB-CD2 3.71Å; F161-L868 HydrophobicContact CD2-CD2 3.71Å; F161-L868 HydrophobicContact CG-CD2 4.13Å
162	L	87.5	Confident	83.8	Confident	3 Å²	3	78.5 Å²	78.5	2%	0.016	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-62.2	-21.7	176.4	-65.2	178.1	0	0	0	113.4	V146 Q159 E160 E164 L167 T183 A187	V146-L162 HydrophobicContact CB-CD2 4.49Å; V146-L162 HydrophobicContact CG1-CD2 3.89Å; V146-L162 HydrophobicContact CG2-CD2 3.69Å; Q159-L162 HydrophobicContact CB-CD1 4.17Å; Q159-L162 WeakPolarHBondContact O-CB 3.4Å; Q159-L162 WeakPolarHBondContact O-CG 3.13Å; Q159-L162 PolarHBondContact O-N 2.81Å; E160-L162 PolarHBondContact O-N 3.09Å; L162-E164 VanDerWaalsContact C-N 3.33Å; L162-L167 HydrophobicContact CB-CD1 4.25Å; L162-L167 HydrophobicContact CD2-CD2 4.48Å; L162-T183 HydrophobicContact CB-CG2 3.72Å; L162-T183 HydrophobicContact CD1-CG2 4.36Å; L162-A187 HydrophobicContact CD1-CB 3.85Å
163	R	83.6	Confident	82.8	Confident	164 Å²	164	81 Å²	81	62%	0.619	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-74.8	-19.5	176	-66.5	-178.8	175.2	147.5	-9.1	113.6	E160 F161 E180	E160-R163 WeakPolarHBondContact O-CB 3.2Å; E160-R163 PolarHBondContact O-N 3.08Å; F161-R163 PolarHBondContact O-N 3.34Å; R163-E180 IonicContact CZ-OE1 2.74Å; R163-E180 IonicContact NE-OE1 3.72Å; R163-E180 IonicContact NH2-OE1 2.61Å; R163-E180 PolarHBondContact NH2-OE1 3.43Å
164	E	82.1	Confident	82.2	Confident	129 Å²	129	81.1 Å²	81.1	60%	0.603	42%	0.419	S	S	*	.	S	Bend	trans	-99.3	-2.6	176.9	-64.3	-164.7	-173.7	0	0	112.9	F161 L162 M864	F161-E164 PolarHBondContact O-N 3.21Å; F161-E164 VanDerWaalsContact O-N 3.11Å; L162-E164 VanDerWaalsContact C-N 3.33Å; E164-M864 VanDerWaalsContact CD-CE 3.4Å; E164-M864 WeakPolarHBondContact OE1-CE 3.49Å; E164-M864 WeakPolarHBondContact OE2-CE 3.42Å
165	Y	87.6	Confident	81.9	Confident	44 Å²	44	82.7 Å²	82.7	17%	0.173	42%	0.422	C	S	.	.	S	Bend	trans	-106	144.5	-176.6	178.2	-117	0	0	0	112	K123 V146 D149 F150 L167	K123-Y165 WeakPolarHBondContact CE-OH 3.36Å; K123-Y165 PolarHBondContact NZ-OH 3.05Å; V146-Y165 HydrophobicContact CG2-CD1 4.17Å; V146-Y165 HydrophobicContact CG2-CE1 3.82Å; D149-Y165 PolarHBondContact OD2-OH 3.07Å; D149-Y165 VanDerWaalsContact OD2-OH 3.05Å; F150-Y165 AromaticContact CE2-CD1 3.9Å; F150-Y165 HydrophobicContact CE2-CD1 3.9Å; F150-Y165 HydrophobicContact CE2-CD2 4.11Å; F150-Y165 AromaticContact CE2-CE1 3.69Å; F150-Y165 HydrophobicContact CE2-CE1 3.69Å; F150-Y165 AromaticContact CE2-CE2 3.91Å; F150-Y165 HydrophobicContact CE2-CE2 3.91Å; F150-Y165 HydrophobicContact CE2-CG 4.12Å; F150-Y165 AromaticContact CE2-CZ 3.7Å; F150-Y165 AromaticContact CZ-CD1 3.98Å; F150-Y165 HydrophobicContact CZ-CD1 3.98Å; F150-Y165 AromaticContact CZ-CD2 3.73Å; F150-Y165 HydrophobicContact CZ-CD2 3.73Å; F150-Y165 HydrophobicContact CZ-CE1 4.19Å; F150-Y165 AromaticContact CZ-CE2 3.96Å; F150-Y165 HydrophobicContact CZ-CE2 3.96Å; F150-Y165 AromaticContact CZ-CG 3.76Å; F150-Y165 HydrophobicContact CZ-CG 3.76Å; Y165-L167 HydrophobicContact CD1-CD2 3.4Å; Y165-L167 HydrophobicContact CD1-CG 4.02Å; Y165-L167 HydrophobicContact CE1-CD2 3.62Å; Y165-L167 PolarHBondContact O-N 3.22Å
166	V	88.9	Confident	81.9	Confident	95 Å²	95	85.8 Å²	85.8	58%	0.576	44%	0.437	S	S	*	.			trans	-84.8	86.2	-171.8	-173	0	0	0	0	110.5	L127	L127-V166 HydrophobicContact CD1-CG1 4.21Å; L127-V166 HydrophobicContact CD2-CG1 4.31Å
167	L	88.9	Confident	81.9	Confident	10 Å²	10	86.3 Å²	86.3	5%	0.052	45%	0.453	C	S	.	.			trans	-81.5	-27.9	-176	-69.7	179.4	0	0	0	115.3	A142 V146 L162 Y165 T183 V186	A142-L167 HydrophobicContact CB-CD2 4.23Å; V146-L167 HydrophobicContact CG2-CD2 3.7Å; L162-L167 HydrophobicContact CB-CD1 4.25Å; L162-L167 HydrophobicContact CD2-CD2 4.48Å; Y165-L167 HydrophobicContact CD1-CD2 3.4Å; Y165-L167 HydrophobicContact CD1-CG 4.02Å; Y165-L167 HydrophobicContact CE1-CD2 3.62Å; Y165-L167 PolarHBondContact O-N 3.22Å; L167-T183 HydrophobicContact CD1-CG2 3.99Å; L167-V186 HydrophobicContact CD1-CB 4.29Å; L167-V186 HydrophobicContact CD1-CG1 4.08Å; L167-V186 HydrophobicContact CD1-CG2 4.38Å; L167-V186 HydrophobicContact CD2-CG1 3.89Å
168	F	91.2	Very high	82.5	Confident	23 Å²	23	80.1 Å²	80.1	10%	0.101	42%	0.421	C	S	.	.	S	Bend	trans	-126.2	142.6	-165	-54.7	-74.3	0	0	0	112.3	V138 L179 L182 V186	V138-F168 HydrophobicContact CG1-CD1 3.68Å; V138-F168 HydrophobicContact CG1-CE1 4.36Å; F168-L179 HydrophobicContact CD2-CD1 3.47Å; F168-L179 VanDerWaalsContact CD2-CD1 3.47Å; F168-L179 HydrophobicContact CE2-CD1 3.58Å; F168-L182 HydrophobicContact CE1-CB 3.98Å; F168-L182 HydrophobicContact CE2-CB 4.4Å; F168-L182 HydrophobicContact CZ-CB 3.67Å; F168-V186 HydrophobicContact CE1-CG2 4Å; F168-V186 HydrophobicContact CZ-CG2 3.82Å
169	P	89.4	Confident	82.8	Confident	9 Å²	9	81 Å²	81	6%	0.058	42%	0.422	C	S	.	.			trans	-48.4	141.8	171.1	-31	32.3	0	0	0	115.6	V126 L127 V138 D171 L172	V126-P169 HydrophobicContact CG1-CG 4.09Å; V126-P169 WeakPolarHBondContact O-CG 3.36Å; L127-P169 WeakPolarHBondContact O-CA 3.22Å; V138-P169 HydrophobicContact CG1-CG 4.36Å; V138-P169 HydrophobicContact CG2-CG 4.12Å; P169-D171 WeakPolarHBondContact CB-OD1 3.43Å; P169-D171 PolarHBondContact O-N 3.21Å; P169-L172 HydrophobicContact CB-CD1 4.21Å; P169-L172 HydrophobicContact CG-CD1 4.13Å; P169-L172 WeakPolarHBondContact O-CB 3.47Å; P169-L172 PolarHBondContact O-N 2.86Å; P169-L172 VanDerWaalsContact O-N 3.1Å
170	M	82.2	Confident	82.9	Confident	166 Å²	166	84.2 Å²	84.2	82%	0.818	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.9	-176.3	-70.1	-176.4	66.2	0	0	115.1	L127	L127-M170 PolarHBondContact O-N 3.43Å
171	D	79	Confident	83.3	Confident	116 Å²	116	83.1 Å²	83.1	62%	0.62	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-11.9	177	63.2	-43.2	0	0	0	113.6	P169 A173	P169-D171 WeakPolarHBondContact CB-OD1 3.43Å; P169-D171 PolarHBondContact O-N 3.21Å; D171-A173 VanDerWaalsContact C-N 3.31Å; D171-A173 PolarHBondContact O-N 2.84Å
172	L	80.4	Confident	83.5	Confident	62 Å²	62	81.9 Å²	81.9	33%	0.325	43%	0.427	S	S	.	.			trans	-78.4	79.3	171.2	-73.5	165.9	0	0	0	110.9	V138 P169 L174	V138-L172 HydrophobicContact CG1-CD1 4.34Å; V138-L172 HydrophobicContact CG2-CD1 4.28Å; P169-L172 HydrophobicContact CB-CD1 4.21Å; P169-L172 HydrophobicContact CG-CD1 4.13Å; P169-L172 WeakPolarHBondContact O-CB 3.47Å; P169-L172 PolarHBondContact O-N 2.86Å; P169-L172 VanDerWaalsContact O-N 3.1Å; L172-L174 HydrophobicContact CB-CD1 4.17Å; L172-L174 HydrophobicContact CB-CG 4.25Å; L172-L174 WeakPolarHBondContact O-CG 3.36Å; L172-L174 PolarHBondContact O-N 2.82Å
173	A	67.9	Low	83.7	Confident	105 Å²	105	82.7 Å²	82.7	87%	0.868	43%	0.432	S	S	*	.			trans	-65.6	98.6	167.7	0	0	0	0	0	110.3	D171	D171-A173 VanDerWaalsContact C-N 3.31Å; D171-A173 PolarHBondContact O-N 2.84Å
174	L	75.4	Confident	84.1	Confident	57 Å²	57	81 Å²	81	30%	0.298	43%	0.431	S	S	.	.			trans	-110.1	143.4	-176.3	-67.7	163.6	0	0	0	111.3	L172 V178 L179 L182	L172-L174 HydrophobicContact CB-CD1 4.17Å; L172-L174 HydrophobicContact CB-CG 4.25Å; L172-L174 WeakPolarHBondContact O-CG 3.36Å; L172-L174 PolarHBondContact O-N 2.82Å; L174-V178 HydrophobicContact CD2-CG1 4.01Å; L174-L179 HydrophobicContact CB-CB 4.42Å; L174-L179 HydrophobicContact CD1-CD1 4.17Å; L174-L182 HydrophobicContact CD1-CD1 3.61Å; L174-L182 HydrophobicContact CD2-CD1 3.73Å; L174-L182 HydrophobicContact CG-CD1 4.31Å
175	E	77.5	Confident	84.7	Confident	154 Å²	154	78.4 Å²	78.4	72%	0.72	42%	0.417	S	S	*	.			trans	-72.7	147.9	167.6	-64.4	-173.8	170.2	0	0	110.6	A177 V178 L179	E175-A177 VanDerWaalsContact C-N 3.28Å; E175-A177 PolarHBondContact O-N 3.06Å; E175-V178 HydrophobicContact CB-CG2 4.26Å; E175-V178 WeakPolarHBondContact O-CA 3.4Å; E175-V178 PolarHBondContact O-N 3.13Å; E175-L179 PolarHBondContact O-N 3.1Å
176	E	79.5	Confident	85	Confident	174 Å²	174	76.3 Å²	76.3	81%	0.813	41%	0.409	S	S	*	.	H	α-helix	trans	-55.7	-38.4	-172.1	-168.7	170.5	-165.6	0	0	113.3	L179 E180	E176-L179 PolarHBondContact O-N 2.84Å; E176-E180 PolarHBondContact O-N 3.18Å
177	A	77.9	Confident	85.2	Confident	75 Å²	75	72.3 Å²	72.3	62%	0.62	39%	0.386	S	S	*	.	H	α-helix	trans	-68.9	-34.8	175.7	0	0	0	0	0	113.4	E175 E181	E175-A177 VanDerWaalsContact C-N 3.28Å; E175-A177 PolarHBondContact O-N 3.06Å; A177-E181 PolarHBondContact O-N 3.24Å
178	V	84.1	Confident	85.5	Confident	56 Å²	56	77.3 Å²	77.3	34%	0.339	41%	0.409	S	S	.	.	H	α-helix	trans	-74.7	-37.3	176.9	-174.9	0	0	0	0	110.1	L174 E175 E180 E181 L182	L174-V178 HydrophobicContact CD2-CG1 4.01Å; E175-V178 HydrophobicContact CB-CG2 4.26Å; E175-V178 WeakPolarHBondContact O-CA 3.4Å; E175-V178 PolarHBondContact O-N 3.13Å; V178-E180 VanDerWaalsContact C-N 3.31Å; V178-E180 PolarHBondContact O-N 3.01Å; V178-E181 PolarHBondContact O-N 3.22Å; V178-L182 HydrophobicContact CG1-CD1 3.98Å; V178-L182 HydrophobicContact CG1-CG 4.4Å; V178-L182 WeakPolarHBondContact O-CB 3.32Å; V178-L182 VanDerWaalsContact O-CG 3.24Å; V178-L182 WeakPolarHBondContact O-CG 3.16Å; V178-L182 PolarHBondContact O-N 2.99Å
179	L	85.5	Confident	85.6	Confident	71 Å²	71	78.9 Å²	78.9	37%	0.372	42%	0.417	S	S	.	.	H	α-helix	trans	-60.5	-39.7	173.1	-178.1	64.2	0	0	0	111.7	F168 L174 E175 E176 L182 T183	F168-L179 HydrophobicContact CD2-CD1 3.47Å; F168-L179 VanDerWaalsContact CD2-CD1 3.47Å; F168-L179 HydrophobicContact CE2-CD1 3.58Å; L174-L179 HydrophobicContact CB-CB 4.42Å; L174-L179 HydrophobicContact CD1-CD1 4.17Å; E175-L179 PolarHBondContact O-N 3.1Å; E176-L179 PolarHBondContact O-N 2.84Å; L179-L182 PolarHBondContact O-N 3.41Å; L179-T183 WeakPolarHBondContact O-CB 3.41Å; L179-T183 PolarHBondContact O-N 3.28Å; L179-T183 PolarHBondContact O-OG1 3.09Å
180	E	85.8	Confident	85.9	Confident	105 Å²	105	78.5 Å²	78.5	49%	0.491	41%	0.414	S	S	.	.	H	α-helix	trans	-66.1	-44.7	174.6	-177.4	154.8	-114.2	0	0	112.5	R163 E176 V178 L182 T183 Q184	R163-E180 IonicContact CZ-OE1 2.74Å; R163-E180 IonicContact NE-OE1 3.72Å; R163-E180 IonicContact NH2-OE1 2.61Å; R163-E180 PolarHBondContact NH2-OE1 3.43Å; E176-E180 PolarHBondContact O-N 3.18Å; V178-E180 VanDerWaalsContact C-N 3.31Å; V178-E180 PolarHBondContact O-N 3.01Å; E180-L182 VanDerWaalsContact C-N 3.32Å; E180-L182 PolarHBondContact O-N 3.28Å; E180-T183 PolarHBondContact O-N 3.13Å; E180-Q184 PolarHBondContact O-N 3.18Å
181	E	89.6	Confident	86.4	Confident	99 Å²	99	76.2 Å²	76.2	46%	0.463	40%	0.4	S	S	.	.	H	α-helix	trans	-60.1	-41.6	175	-164.4	-161.2	146.6	0	0	111.9	A177 V178 Q184 K185	A177-E181 PolarHBondContact O-N 3.24Å; V178-E181 PolarHBondContact O-N 3.22Å; E181-Q184 PolarHBondContact O-N 3.01Å; E181-K185 WeakPolarHBondContact O-CG 3.23Å; E181-K185 PolarHBondContact O-N 3.05Å; E181-K185 VanDerWaalsContact O-N 3.11Å; E181-K185 WeakPolarHBondContact OE1-CE 3.32Å; E181-K185 IonicContact OE1-NZ 3.49Å; E181-K185 PolarHBondContact OE1-NZ 3.24Å
182	L	90.5	Very high	87.2	Confident	3 Å²	3	74.2 Å²	74.2	2%	0.016	40%	0.4	C	S	.	.	H	α-helix	trans	-68.6	-40.1	177.5	-69.9	169.4	0	0	0	112.1	L135 I139 F168 L174 V178 L179 E180 Q184 K185 V186	L135-L182 HydrophobicContact CD1-CD1 4.09Å; L135-L182 HydrophobicContact CD1-CD2 3.87Å; L135-L182 HydrophobicContact CD2-CD2 4.08Å; L135-L182 HydrophobicContact CG-CD2 4.08Å; I139-L182 HydrophobicContact CD1-CD2 3.72Å; I139-L182 HydrophobicContact CG1-CD2 4.18Å; F168-L182 HydrophobicContact CE1-CB 3.98Å; F168-L182 HydrophobicContact CE2-CB 4.4Å; F168-L182 HydrophobicContact CZ-CB 3.67Å; L174-L182 HydrophobicContact CD1-CD1 3.61Å; L174-L182 HydrophobicContact CD2-CD1 3.73Å; L174-L182 HydrophobicContact CG-CD1 4.31Å; V178-L182 HydrophobicContact CG1-CD1 3.98Å; V178-L182 HydrophobicContact CG1-CG 4.4Å; V178-L182 WeakPolarHBondContact O-CB 3.32Å; V178-L182 VanDerWaalsContact O-CG 3.24Å; V178-L182 WeakPolarHBondContact O-CG 3.16Å; V178-L182 PolarHBondContact O-N 2.99Å; L179-L182 PolarHBondContact O-N 3.41Å; E180-L182 VanDerWaalsContact C-N 3.32Å; E180-L182 PolarHBondContact O-N 3.28Å; L182-Q184 VanDerWaalsContact C-N 3.28Å; L182-Q184 PolarHBondContact O-N 3.46Å; L182-K185 HydrophobicContact CD2-CD 4.43Å; L182-K185 WeakPolarHBondContact O-CB 3.4Å; L182-K185 PolarHBondContact O-N 2.83Å; L182-K185 VanDerWaalsContact O-N 3.08Å; L182-V186 WeakPolarHBondContact O-CG2 3.34Å; L182-V186 PolarHBondContact O-N 2.79Å
183	T	91.6	Very high	87.9	Confident	20 Å²	20	72.2 Å²	72.2	12%	0.123	39%	0.388	C	S	.	.	H	α-helix	trans	-61.3	-38.5	173.7	-56.5	0	0	0	0	110.8	L162 L167 L179 E180 K185 V186 A187	L162-T183 HydrophobicContact CB-CG2 3.72Å; L162-T183 HydrophobicContact CD1-CG2 4.36Å; L167-T183 HydrophobicContact CD1-CG2 3.99Å; L179-T183 WeakPolarHBondContact O-CB 3.41Å; L179-T183 PolarHBondContact O-N 3.28Å; L179-T183 PolarHBondContact O-OG1 3.09Å; E180-T183 PolarHBondContact O-N 3.13Å; T183-K185 VanDerWaalsContact C-N 3.32Å; T183-K185 PolarHBondContact O-N 3.38Å; T183-V186 PolarHBondContact O-N 3.29Å; T183-A187 PolarHBondContact O-N 3.46Å
184	Q	90.9	Very high	89	Confident	129 Å²	129	69.3 Å²	69.3	60%	0.603	36%	0.362	S	S	*	.	H	α-helix	trans	-66.6	-29.8	174.1	-161.8	-176	27.4	0	0	113.1	E180 E181 L182 Q188	E180-Q184 PolarHBondContact O-N 3.18Å; E181-Q184 PolarHBondContact O-N 3.01Å; L182-Q184 VanDerWaalsContact C-N 3.28Å; L182-Q184 PolarHBondContact O-N 3.46Å; Q184-Q188 WeakPolarHBondContact O-CG 3.29Å; Q184-Q188 PolarHBondContact O-N 2.93Å; Q184-Q188 PolarHBondContact O-NE2 3.05Å
185	K	94.1	Very high	89.8	Confident	73 Å²	73	69.5 Å²	69.5	32%	0.317	38%	0.377	S	S	.	.	H	α-helix	trans	-74.5	-38.9	172.8	-68.5	169.5	-171.2	167.4	0	112	I139 E181 L182 T183 A187 Q188 E189	I139-K185 HydrophobicContact CD1-CB 4.3Å; I139-K185 HydrophobicContact CD1-CD 4.09Å; I139-K185 HydrophobicContact CG2-CB 3.88Å; E181-K185 WeakPolarHBondContact O-CG 3.23Å; E181-K185 PolarHBondContact O-N 3.05Å; E181-K185 VanDerWaalsContact O-N 3.11Å; E181-K185 WeakPolarHBondContact OE1-CE 3.32Å; E181-K185 IonicContact OE1-NZ 3.49Å; E181-K185 PolarHBondContact OE1-NZ 3.24Å; L182-K185 HydrophobicContact CD2-CD 4.43Å; L182-K185 WeakPolarHBondContact O-CB 3.4Å; L182-K185 PolarHBondContact O-N 2.83Å; L182-K185 VanDerWaalsContact O-N 3.08Å; T183-K185 VanDerWaalsContact C-N 3.32Å; T183-K185 PolarHBondContact O-N 3.38Å; K185-A187 VanDerWaalsContact C-N 3.3Å; K185-A187 PolarHBondContact O-N 3.48Å; K185-Q188 WeakPolarHBondContact O-CA 3.44Å; K185-Q188 WeakPolarHBondContact O-CB 3.5Å; K185-Q188 PolarHBondContact O-N 2.78Å; K185-E189 PolarHBondContact O-N 3.44Å
186	V	95.4	Very high	90.6	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-58.9	-42.9	171.3	172.3	0	0	0	0	111	I139 A142 V146 L167 F168 L182 T183 Q188 E189 H190	I139-V186 HydrophobicContact CG2-CG2 4.17Å; A142-V186 HydrophobicContact CB-CB 4.47Å; A142-V186 HydrophobicContact CB-CG1 3.96Å; A142-V186 HydrophobicContact CB-CG2 3.62Å; V146-V186 HydrophobicContact CG2-CG1 4.16Å; L167-V186 HydrophobicContact CD1-CB 4.29Å; L167-V186 HydrophobicContact CD1-CG1 4.08Å; L167-V186 HydrophobicContact CD1-CG2 4.38Å; L167-V186 HydrophobicContact CD2-CG1 3.89Å; F168-V186 HydrophobicContact CE1-CG2 4Å; F168-V186 HydrophobicContact CZ-CG2 3.82Å; L182-V186 WeakPolarHBondContact O-CG2 3.34Å; L182-V186 PolarHBondContact O-N 2.79Å; T183-V186 PolarHBondContact O-N 3.29Å; V186-Q188 PolarHBondContact O-N 2.91Å; V186-E189 PolarHBondContact O-N 3.01Å; V186-H190 WeakPolarHBondContact O-CB 3.28Å; V186-H190 PolarHBondContact O-N 3.39Å
187	A	93.3	Very high	91.3	Very high	11 Å²	11	61.3 Å²	61.3	9%	0.091	34%	0.343	C	S	.	.	H	α-helix	trans	-61.5	-25.4	174.1	0	0	0	0	0	113.3	Y153 L162 T183 K185 K191	Y153-A187 WeakPolarHBondContact CD2-O 3.39Å; Y153-A187 HydrophobicContact CE2-CB 4.26Å; Y153-A187 WeakPolarHBondContact CE2-O 3.48Å; L162-A187 HydrophobicContact CD1-CB 3.85Å; T183-A187 PolarHBondContact O-N 3.46Å; K185-A187 VanDerWaalsContact C-N 3.3Å; K185-A187 PolarHBondContact O-N 3.48Å; A187-K191 WeakPolarHBondContact O-CB 3.29Å; A187-K191 PolarHBondContact O-N 2.95Å
188	Q	94.1	Very high	92	Very high	116 Å²	116	60.4 Å²	60.4	54%	0.542	33%	0.331	S	S	.	.	H	α-helix	trans	-79.1	-41.6	174.8	-71.4	165.7	58.4	0	0	112.3	Q184 K185 V186 K191 A192	Q184-Q188 WeakPolarHBondContact O-CG 3.29Å; Q184-Q188 PolarHBondContact O-N 2.93Å; Q184-Q188 PolarHBondContact O-NE2 3.05Å; K185-Q188 WeakPolarHBondContact O-CA 3.44Å; K185-Q188 WeakPolarHBondContact O-CB 3.5Å; K185-Q188 PolarHBondContact O-N 2.78Å; V186-Q188 PolarHBondContact O-N 2.91Å; Q188-K191 PolarHBondContact O-N 3.27Å; Q188-A192 PolarHBondContact O-N 3.17Å
189	E	94.6	Very high	92.4	Very high	56 Å²	56	59 Å²	59	26%	0.262	33%	0.325	S	S	.	.	H	α-helix	trans	-64.7	-44.5	172.3	-69.2	-62.8	138.3	0	0	111.2	I139 K185 V186 K191 A192 H193	I139-E189 HydrophobicContact CG2-CG 3.92Å; K185-E189 PolarHBondContact O-N 3.44Å; V186-E189 PolarHBondContact O-N 3.01Å; E189-K191 VanDerWaalsContact C-N 3.29Å; E189-K191 PolarHBondContact O-N 3.04Å; E189-A192 CarbonylContact O-C 3.56Å; E189-A192 WeakPolarHBondContact O-CA 3.49Å; E189-A192 WeakPolarHBondContact O-CB 3.42Å; E189-A192 PolarHBondContact O-N 3.23Å; E189-H193 PolarHBondContact O-CD2 2.84Å; E189-H193 VanDerWaalsContact O-CD2 3.23Å; E189-H193 PolarHBondContact O-N 3.13Å
190	H	94.5	Very high	92.9	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-55.9	-44.1	173.9	179.8	-147.2	0	0	0	111.6	V146 Q147 G151 Y153 V186 A192 H193 S194	V146-H190 HydrophobicContact CB-CB 4.4Å; V146-H190 HydrophobicContact CG1-CB 4.33Å; V146-H190 WeakPolarHBondContact CG1-CE1 3.23Å; V146-H190 WeakPolarHBondContact CG1-ND1 3.44Å; Q147-H190 PolarHBondContact OE1-CD2 3.12Å; Q147-H190 VanDerWaalsContact OE1-CD2 3.24Å; Q147-H190 PolarHBondContact OE1-NE2 3.17Å; G151-H190 PolarHBondContact O-NE2 3.46Å; Y153-H190 WeakPolarHBondContact CA-CE1 3.21Å; Y153-H190 HydrophobicContact CD2-CB 4.36Å; Y153-H190 AromaticContact CD2-ND1 3.6Å; Y153-H190 PolarHBondContact N-NE2 3.31Å; V186-H190 WeakPolarHBondContact O-CB 3.28Å; V186-H190 PolarHBondContact O-N 3.39Å; H190-A192 VanDerWaalsContact C-N 3.33Å; H190-A192 PolarHBondContact O-N 3.41Å; H190-H193 PolarHBondContact O-N 2.95Å; H190-H193 VanDerWaalsContact O-N 3.12Å; H190-S194 PolarHBondContact O-N 3.08Å
191	K	93.7	Very high	93.4	Very high	119 Å²	119	55.3 Å²	55.3	52%	0.517	31%	0.306	S	S	.	.	H	α-helix	trans	-61	-39.5	172.9	-172.3	174.3	-179.3	175.2	0	112.8	Y153 A187 Q188 E189 H193 S194	Y153-K191 HydrophobicContact CD1-CB 4.13Å; Y153-K191 HydrophobicContact CD1-CD 4.21Å; Y153-K191 HydrophobicContact CD1-CG 3.94Å; Y153-K191 HydrophobicContact CD2-CB 3.71Å; Y153-K191 HydrophobicContact CD2-CG 4.43Å; Y153-K191 HydrophobicContact CE1-CB 4.4Å; Y153-K191 HydrophobicContact CE1-CD 3.97Å; Y153-K191 HydrophobicContact CE1-CG 4.21Å; Y153-K191 HydrophobicContact CE2-CB 4Å; Y153-K191 HydrophobicContact CG-CB 3.78Å; Y153-K191 HydrophobicContact CG-CG 4.07Å; A187-K191 WeakPolarHBondContact O-CB 3.29Å; A187-K191 PolarHBondContact O-N 2.95Å; Q188-K191 PolarHBondContact O-N 3.27Å; E189-K191 VanDerWaalsContact C-N 3.29Å; E189-K191 PolarHBondContact O-N 3.04Å; K191-H193 PolarHBondContact O-N 3.19Å; K191-S194 WeakPolarHBondContact O-CB 3.37Å; K191-S194 PolarHBondContact O-N 3.44Å; K191-S194 PolarHBondContact O-OG 2.98Å
192	A	94.9	Very high	93.7	Very high	74 Å²	74	51.4 Å²	51.4	61%	0.612	29%	0.287	S	S	*	.	H	α-helix	trans	-67.5	-21.2	176.2	0	0	0	0	0	113.5	Q188 E189 H190	Q188-A192 PolarHBondContact O-N 3.17Å; E189-A192 CarbonylContact O-C 3.56Å; E189-A192 WeakPolarHBondContact O-CA 3.49Å; E189-A192 WeakPolarHBondContact O-CB 3.42Å; E189-A192 PolarHBondContact O-N 3.23Å; H190-A192 VanDerWaalsContact C-N 3.33Å; H190-A192 PolarHBondContact O-N 3.41Å
193	H	94.5	Very high	93.9	Very high	19 Å²	19	54.1 Å²	54.1	9%	0.088	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	2.4	175.3	-60.6	-33.3	0	0	0	114.6	L144 Q147 E189 H190 K191 G195 I196	L144-H193 WeakPolarHBondContact CD2-NE2 3.22Å; Q147-H193 HydrophobicContact CB-CB 3.99Å; Q147-H193 VanDerWaalsContact CD-O 3.29Å; Q147-H193 HydrophobicContact CG-CB 3.9Å; Q147-H193 PolarHBondContact NE2-O 3.33Å; Q147-H193 PolarHBondContact OE1-O 3.44Å; E189-H193 PolarHBondContact O-CD2 2.84Å; E189-H193 VanDerWaalsContact O-CD2 3.23Å; E189-H193 PolarHBondContact O-N 3.13Å; H190-H193 PolarHBondContact O-N 2.95Å; H190-H193 VanDerWaalsContact O-N 3.12Å; K191-H193 PolarHBondContact O-N 3.19Å; H193-G195 PolarHBondContact O-N 3.5Å; H193-I196 HydrophobicContact CB-CD1 4Å; H193-I196 WeakPolarHBondContact O-CB 3.44Å; H193-I196 WeakPolarHBondContact O-CG1 3.33Å; H193-I196 PolarHBondContact O-N 2.99Å
194	S	92.4	Very high	94.1	Very high	45 Å²	45	56.6 Å²	56.6	32%	0.315	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	125.8	176.7	-56.3	0	0	0	0	111.9	H190 K191	H190-S194 PolarHBondContact O-N 3.08Å; K191-S194 WeakPolarHBondContact O-CB 3.37Å; K191-S194 PolarHBondContact O-N 3.44Å; K191-S194 PolarHBondContact O-OG 2.98Å
195	G	90.6	Very high	94.4	Very high	60 Å²	60	50.7 Å²	50.7	62%	0.619	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.2	-6.6	-177.2	0	0	0	0	0	114.7	D152 H193	D152-G195 PolarHBondContact OD1-N 3.07Å; H193-G195 PolarHBondContact O-N 3.5Å
196	I	94.6	Very high	94.5	Very high	36 Å²	36	47.2 Å²	47.2	19%	0.185	27%	0.27	C	S	.	.			trans	-82.8	131.8	173.1	-59.4	177	0	0	0	109	Q147 H193 E200 A201 M204	Q147-I196 HydrophobicContact CG-CB 4.31Å; Q147-I196 PolarHBondContact NE2-O 3.48Å; H193-I196 HydrophobicContact CB-CD1 4Å; H193-I196 WeakPolarHBondContact O-CB 3.44Å; H193-I196 WeakPolarHBondContact O-CG1 3.33Å; H193-I196 PolarHBondContact O-N 2.99Å; I196-E200 HydrophobicContact CG2-CB 3.84Å; I196-E200 HydrophobicContact CG2-CG 3.86Å; I196-A201 HydrophobicContact CG2-CB 4.19Å; I196-M204 HydrophobicContact CD1-CE 4.46Å; I196-M204 HydrophobicContact CD1-SD 3.96Å; I196-M204 HydrophobicContact CG2-SD 4.34Å
197	L	94.1	Very high	94.5	Very high	121 Å²	121	49.1 Å²	49.1	63%	0.634	28%	0.28	S	S	*	.			trans	-70.7	148.7	179.6	-65.6	174.7	0	0	0	111.3	A199 E200 A201	L197-A199 PolarHBondContact O-N 3.28Å; L197-E200 HydrophobicContact CB-CB 4.32Å; L197-E200 CarbonylContact O-C 3.58Å; L197-E200 WeakPolarHBondContact O-CA 3.44Å; L197-E200 WeakPolarHBondContact O-CB 3.34Å; L197-E200 PolarHBondContact O-N 2.96Å; L197-A201 PolarHBondContact O-N 3.21Å
198	P	93.8	Very high	94.5	Very high	55 Å²	55	50.5 Å²	50.5	36%	0.357	29%	0.285	S	S	.	.	H	α-helix	trans	-48.3	-51.6	177.9	-34.2	38.8	0	0	0	114.4	E200 A201 E202	P198-E200 PolarHBondContact O-N 2.84Å; P198-E200 VanDerWaalsContact O-N 3.14Å; P198-A201 WeakPolarHBondContact O-CB 3.45Å; P198-A201 PolarHBondContact O-N 3.41Å; P198-E202 WeakPolarHBondContact O-CG 3.49Å; P198-E202 PolarHBondContact O-N 3.18Å
199	A	92.8	Very high	94.6	Very high	26 Å²	26	45 Å²	45	22%	0.215	26%	0.259	C	S	.	.	H	α-helix	trans	-64.9	-17.2	177.7	0	0	0	0	0	114.6	E112 L197 L203	E112-A199 HydrophobicContact CG-CB 4.14Å; L197-A199 PolarHBondContact O-N 3.28Å; A199-L203 WeakPolarHBondContact O-CB 3.4Å; A199-L203 PolarHBondContact O-N 2.97Å
200	E	94.7	Very high	94.5	Very high	100 Å²	100	44 Å²	44	47%	0.467	25%	0.254	S	S	.	.	H	α-helix	trans	-88.2	-36.3	171.8	-172.6	173	-155.5	0	0	111.2	I196 L197 P198 L203 M204	I196-E200 HydrophobicContact CG2-CB 3.84Å; I196-E200 HydrophobicContact CG2-CG 3.86Å; L197-E200 HydrophobicContact CB-CB 4.32Å; L197-E200 CarbonylContact O-C 3.58Å; L197-E200 WeakPolarHBondContact O-CA 3.44Å; L197-E200 WeakPolarHBondContact O-CB 3.34Å; L197-E200 PolarHBondContact O-N 2.96Å; P198-E200 PolarHBondContact O-N 2.84Å; P198-E200 VanDerWaalsContact O-N 3.14Å; E200-L203 WeakPolarHBondContact O-CB 3.2Å; E200-L203 PolarHBondContact O-N 3.22Å; E200-M204 WeakPolarHBondContact O-CB 3.42Å; E200-M204 WeakPolarHBondContact O-CG 3.42Å; E200-M204 PolarHBondContact O-N 2.86Å
201	A	96.3	Very high	94.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.2	-40.5	170.8	0	0	0	0	0	112	Q147 A148 I196 L197 P198 M204 Y205	Q147-A201 HydrophobicContact CB-CB 3.99Å; Q147-A201 HydrophobicContact CG-CB 3.93Å; A148-A201 HydrophobicContact CB-CB 4.07Å; I196-A201 HydrophobicContact CG2-CB 4.19Å; L197-A201 PolarHBondContact O-N 3.21Å; P198-A201 WeakPolarHBondContact O-CB 3.45Å; P198-A201 PolarHBondContact O-N 3.41Å; A201-M204 PolarHBondContact O-N 2.9Å; A201-Y205 WeakPolarHBondContact O-CB 3.35Å; A201-Y205 PolarHBondContact O-N 3.44Å
202	E	95.9	Very high	94.2	Very high	16 Å²	16	46.3 Å²	46.3	8%	0.075	26%	0.261	C	S	.	.	H	α-helix	trans	-55.6	-48.7	167.7	-70.5	168.8	-134.5	0	0	111.6	Y116 Y119 A148 P198 M204 Y205 I206	Y116-E202 VanDerWaalsContact CA-OE2 3.25Å; Y116-E202 WeakPolarHBondContact CA-OE2 3.33Å; Y116-E202 WeakPolarHBondContact CB-OE2 3.42Å; Y116-E202 HydrophobicContact CD2-CG 4.48Å; Y116-E202 PolarHBondContact N-OE2 2.94Å; Y119-E202 HydrophobicContact CD1-CG 3.96Å; Y119-E202 HydrophobicContact CD2-CB 4.34Å; Y119-E202 HydrophobicContact CD2-CG 4.33Å; Y119-E202 HydrophobicContact CE1-CG 4.38Å; Y119-E202 HydrophobicContact CG-CB 4.18Å; Y119-E202 HydrophobicContact CG-CG 3.94Å; A148-E202 HydrophobicContact CB-CG 4.14Å; P198-E202 WeakPolarHBondContact O-CG 3.49Å; P198-E202 PolarHBondContact O-N 3.18Å; E202-M204 VanDerWaalsContact C-N 3.34Å; E202-M204 PolarHBondContact O-N 3.32Å; E202-Y205 WeakPolarHBondContact O-CB 3.25Å; E202-Y205 PolarHBondContact O-N 2.69Å; E202-I206 WeakPolarHBondContact O-CG1 3.39Å; E202-I206 PolarHBondContact O-N 2.84Å
203	L	95	Very high	93.8	Very high	61 Å²	61	49.3 Å²	49.3	32%	0.319	27%	0.266	S	S	.	.	H	α-helix	trans	-62.7	-41.6	179.8	-178.2	67.6	0	0	0	111	V106 A199 E200 N207	V106-L203 HydrophobicContact CB-CD1 4.25Å; V106-L203 HydrophobicContact CG1-CD1 3.55Å; V106-L203 HydrophobicContact CG2-CD1 3.64Å; A199-L203 WeakPolarHBondContact O-CB 3.4Å; A199-L203 PolarHBondContact O-N 2.97Å; E200-L203 WeakPolarHBondContact O-CB 3.2Å; E200-L203 PolarHBondContact O-N 3.22Å; L203-N207 WeakPolarHBondContact O-CB 3.28Å; L203-N207 PolarHBondContact O-N 3.3Å; L203-N207 PolarHBondContact O-ND2 3.36Å
204	M	95.7	Very high	93.5	Very high	72 Å²	72	49.1 Å²	49.1	36%	0.355	27%	0.269	S	S	.	.	H	α-helix	trans	-65.5	-40.3	174.3	-73.8	179.7	69.5	0	0	112.2	L144 I196 E200 A201 E202 N207 E208	L144-M204 HydrophobicContact CD1-CB 4.11Å; L144-M204 HydrophobicContact CD2-CB 3.86Å; L144-M204 HydrophobicContact CD2-CE 4.07Å; L144-M204 HydrophobicContact CD2-SD 4.3Å; I196-M204 HydrophobicContact CD1-CE 4.46Å; I196-M204 HydrophobicContact CD1-SD 3.96Å; I196-M204 HydrophobicContact CG2-SD 4.34Å; E200-M204 WeakPolarHBondContact O-CB 3.42Å; E200-M204 WeakPolarHBondContact O-CG 3.42Å; E200-M204 PolarHBondContact O-N 2.86Å; A201-M204 PolarHBondContact O-N 2.9Å; E202-M204 VanDerWaalsContact C-N 3.34Å; E202-M204 PolarHBondContact O-N 3.32Å; M204-N207 PolarHBondContact O-N 2.9Å; M204-E208 PolarHBondContact O-N 3.19Å
205	Y	97.3	Very high	93.4	Very high	5 Å²	5	47.3 Å²	47.3	2%	0.02	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-47.9	175.7	-168.7	-75.8	0	0	0	111.1	Y119 V122 K123 L141 L144 A145 A201 E202 N207 E208 V209	Y119-Y205 AromaticContact CD2-CD1 3.74Å; Y119-Y205 HydrophobicContact CD2-CD1 3.74Å; Y119-Y205 HydrophobicContact CD2-CE1 4.47Å; Y119-Y205 AromaticContact CD2-CG 3.79Å; Y119-Y205 HydrophobicContact CD2-CG 3.79Å; Y119-Y205 AromaticContact CE2-CD1 3.87Å; Y119-Y205 HydrophobicContact CE2-CD1 3.87Å; Y119-Y205 AromaticContact CE2-CD2 3.87Å; Y119-Y205 HydrophobicContact CE2-CD2 3.87Å; Y119-Y205 HydrophobicContact CE2-CE1 4.41Å; Y119-Y205 HydrophobicContact CE2-CE2 4.39Å; Y119-Y205 AromaticContact CE2-CG 3.6Å; Y119-Y205 HydrophobicContact CE2-CG 3.6Å; V122-Y205 HydrophobicContact CG2-CD1 3.93Å; V122-Y205 HydrophobicContact CG2-CE1 3.94Å; K123-Y205 WeakPolarHBondContact CA-OH 3.1Å; K123-Y205 HydrophobicContact CB-CE1 4.02Å; L141-Y205 HydrophobicContact CB-CD2 4.27Å; L141-Y205 HydrophobicContact CB-CE2 3.65Å; L141-Y205 HydrophobicContact CD2-CD1 4.3Å; L141-Y205 HydrophobicContact CD2-CD2 3.84Å; L141-Y205 HydrophobicContact CD2-CE1 4.26Å; L141-Y205 HydrophobicContact CD2-CE2 3.82Å; L141-Y205 HydrophobicContact CD2-CG 4.07Å; L141-Y205 HydrophobicContact CG-CE2 4.3Å; L141-Y205 WeakPolarHBondContact O-CD2 3.1Å; L141-Y205 WeakPolarHBondContact O-CE2 3.32Å; L144-Y205 HydrophobicContact CB-CD2 4.05Å; A145-Y205 HydrophobicContact CB-CD2 4.1Å; A145-Y205 HydrophobicContact CB-CE2 3.81Å; A201-Y205 WeakPolarHBondContact O-CB 3.35Å; A201-Y205 PolarHBondContact O-N 3.44Å; E202-Y205 WeakPolarHBondContact O-CB 3.25Å; E202-Y205 PolarHBondContact O-N 2.69Å; Y205-N207 PolarHBondContact O-N 2.8Å; Y205-E208 PolarHBondContact O-N 3.45Å; Y205-V209 HydrophobicContact CD1-CG2 3.87Å; Y205-V209 HydrophobicContact CE1-CG2 3.58Å; Y205-V209 WeakPolarHBondContact O-CG2 3.37Å; Y205-V209 PolarHBondContact O-N 3.45Å
206	I	96.4	Very high	93.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.4	-43	176.4	-59.2	163.7	0	0	0	110.7	V106 R115 Y118 V122 E202 E208 V209 E210	V106-I206 HydrophobicContact CB-CB 4.43Å; V106-I206 HydrophobicContact CB-CG2 3.79Å; V106-I206 HydrophobicContact CG2-CB 4.07Å; V106-I206 HydrophobicContact CG2-CD1 3.99Å; V106-I206 HydrophobicContact CG2-CG2 3.71Å; R115-I206 HydrophobicContact CB-CD1 4.36Å; R115-I206 WeakPolarHBondContact O-CD1 3.33Å; Y118-I206 HydrophobicContact CD1-CD1 4.25Å; Y118-I206 HydrophobicContact CD1-CG1 4.33Å; Y118-I206 HydrophobicContact CD1-CG2 3.93Å; Y118-I206 HydrophobicContact CE1-CG2 3.97Å; V122-I206 HydrophobicContact CG2-CG1 4.14Å; E202-I206 WeakPolarHBondContact O-CG1 3.39Å; E202-I206 PolarHBondContact O-N 2.84Å; I206-E208 PolarHBondContact O-N 2.87Å; I206-V209 PolarHBondContact O-N 3.01Å; I206-E210 WeakPolarHBondContact O-CG 3.43Å; I206-E210 PolarHBondContact O-N 3.25Å
207	N	95.1	Very high	93.2	Very high	39 Å²	39	45.8 Å²	45.8	21%	0.209	23%	0.234	C	C	.	.	H	α-helix	trans	-59.8	-31.1	177.1	-90.4	-73.8	0	0	0	113.2	V106 L203 M204 Y205 E210 R211	V106-N207 WeakPolarHBondContact CG1-ND2 3.5Å; L203-N207 WeakPolarHBondContact O-CB 3.28Å; L203-N207 PolarHBondContact O-N 3.3Å; L203-N207 PolarHBondContact O-ND2 3.36Å; M204-N207 PolarHBondContact O-N 2.9Å; Y205-N207 PolarHBondContact O-N 2.8Å; N207-E210 VanDerWaalsContact O-CG 3.31Å; N207-E210 WeakPolarHBondContact O-CG 3.26Å; N207-R211 PolarHBondContact O-NE 3.31Å; N207-R211 PolarHBondContact O-NH1 3.03Å; N207-R211 PolarHBondContact O-NH2 2.85Å; N207-R211 VanDerWaalsContact O-NH2 3.1Å
208	E	94.4	Very high	93.1	Very high	41 Å²	41	42.2 Å²	42.2	19%	0.192	21%	0.214	C	C	.	.	H	α-helix	trans	-82.3	-39.8	176.2	-170.1	66.7	173.7	0	0	111.5	L141 M204 Y205 I206 R211	L141-E208 HydrophobicContact CD2-CB 3.94Å; L141-E208 HydrophobicContact CD2-CG 4Å; M204-E208 PolarHBondContact O-N 3.19Å; Y205-E208 PolarHBondContact O-N 3.45Å; I206-E208 PolarHBondContact O-N 2.87Å; E208-R211 PolarHBondContact O-N 2.97Å; E208-R211 IonicContact OE2-NH1 3.87Å; E208-R211 PolarHBondContact OE2-NH1 2.94Å
209	V	94.9	Very high	93	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-70.7	-29.7	178.9	176.1	0	0	0	0	113.3	V122 V126 L131 L141 Y205 I206 R211 L212 F215	V122-V209 HydrophobicContact CB-CB 4.38Å; V122-V209 HydrophobicContact CB-CG1 3.8Å; V122-V209 HydrophobicContact CG1-CG1 4.31Å; V122-V209 HydrophobicContact CG2-CB 4.4Å; V122-V209 HydrophobicContact CG2-CG1 4.35Å; V126-V209 HydrophobicContact CG2-CG1 4.49Å; V126-V209 HydrophobicContact CG2-CG2 4.04Å; L131-V209 HydrophobicContact CD1-CG1 3.41Å; L131-V209 VanDerWaalsContact CD1-CG1 3.41Å; L141-V209 HydrophobicContact CD1-CG2 3.96Å; L141-V209 HydrophobicContact CD2-CG2 3.61Å; L141-V209 HydrophobicContact CG-CG2 4.46Å; Y205-V209 HydrophobicContact CD1-CG2 3.87Å; Y205-V209 HydrophobicContact CE1-CG2 3.58Å; Y205-V209 WeakPolarHBondContact O-CG2 3.37Å; Y205-V209 PolarHBondContact O-N 3.45Å; I206-V209 PolarHBondContact O-N 3.01Å; V209-R211 PolarHBondContact O-N 3.45Å; V209-L212 HydrophobicContact CB-CD1 4.33Å; V209-L212 HydrophobicContact CG1-CD1 4.16Å; V209-L212 HydrophobicContact CG2-CD1 4.13Å; V209-L212 WeakPolarHBondContact O-CB 3.35Å; V209-L212 PolarHBondContact O-N 3.43Å; V209-F215 HydrophobicContact CG1-CD2 3.92Å; V209-F215 HydrophobicContact CG1-CE2 4.23Å; V209-F215 WeakPolarHBondContact O-CD2 3.26Å
210	E	92.9	Very high	92.9	Very high	34 Å²	34	43 Å²	43	16%	0.159	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-13.5	175.1	67.4	176	-131.9	0	0	113.8	N105 V106 I206 N207 F215	N105-E210 VanDerWaalsContact CA-OE2 3.27Å; N105-E210 WeakPolarHBondContact CA-OE2 3.32Å; N105-E210 PolarHBondContact ND2-OE1 2.8Å; N105-E210 PolarHBondContact ND2-OE2 3.06Å; V106-E210 PolarHBondContact N-OE2 2.87Å; I206-E210 WeakPolarHBondContact O-CG 3.43Å; I206-E210 PolarHBondContact O-N 3.25Å; N207-E210 VanDerWaalsContact O-CG 3.31Å; N207-E210 WeakPolarHBondContact O-CG 3.26Å; E210-F215 HydrophobicContact CB-CD1 4.06Å; E210-F215 HydrophobicContact CB-CE1 3.57Å; E210-F215 HydrophobicContact CB-CE2 4.23Å; E210-F215 HydrophobicContact CB-CZ 3.65Å
211	R	90.6	Very high	92.7	Very high	158 Å²	158	41.6 Å²	41.6	60%	0.596	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-3.1	177.6	-55.6	-179.3	-173	112.1	19.9	113.8	N207 E208 V209	N207-R211 PolarHBondContact O-NE 3.31Å; N207-R211 PolarHBondContact O-NH1 3.03Å; N207-R211 PolarHBondContact O-NH2 2.85Å; N207-R211 VanDerWaalsContact O-NH2 3.1Å; E208-R211 PolarHBondContact O-N 2.97Å; E208-R211 IonicContact OE2-NH1 3.87Å; E208-R211 PolarHBondContact OE2-NH1 2.94Å; V209-R211 PolarHBondContact O-N 3.45Å
212	L	91.2	Very high	92.5	Very high	11 Å²	11	41.8 Å²	41.8	6%	0.058	21%	0.214	C	C	.	.	S	Bend	trans	-84.7	142	-174.6	-64.6	179.5	0	0	0	113.3	V126 L131 C133 L141 V209 G214 F215	V126-L212 HydrophobicContact CG2-CD1 4.43Å; L131-L212 HydrophobicContact CB-CD1 4.36Å; C133-L212 VanDerWaalsContact SG-CD1 3.53Å; L141-L212 HydrophobicContact CD1-CD1 4.24Å; V209-L212 HydrophobicContact CB-CD1 4.33Å; V209-L212 HydrophobicContact CG1-CD1 4.16Å; V209-L212 HydrophobicContact CG2-CD1 4.13Å; V209-L212 WeakPolarHBondContact O-CB 3.35Å; V209-L212 PolarHBondContact O-N 3.43Å; L212-G214 PolarHBondContact O-N 3.42Å; L212-G214 VanDerWaalsContact O-N 3.12Å; L212-F215 WeakPolarHBondContact O-CB 3.33Å; L212-F215 PolarHBondContact O-N 2.85Å
213	D	87	Confident	92.3	Very high	136 Å²	136	44.6 Å²	44.6	73%	0.727	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	113.7	172.4	-97.5	-28.2	0	0	0	110.8
214	G	87.2	Confident	91.9	Very high	15 Å²	15	43.1 Å²	43.1	16%	0.155	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	113.6	-10.7	-174.6	0	0	0	0	0	114.4	L131 L212 G216 Q217	L131-G214 WeakPolarHBondContact CD2-O 3.41Å; L212-G214 PolarHBondContact O-N 3.42Å; L212-G214 VanDerWaalsContact O-N 3.12Å; G214-G216 PolarHBondContact O-N 2.87Å; G214-Q217 VanDerWaalsContact O-CB 3.3Å; G214-Q217 WeakPolarHBondContact O-CB 3.49Å; G214-Q217 PolarHBondContact O-N 2.83Å
215	F	91.9	Very high	91.4	Very high	7 Å²	7	44.7 Å²	44.7	3%	0.031	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	121	-176.7	-179.8	-112.3	0	0	0	112.7	Y102 V103 Y118 V122 V209 E210 L212 Q217 F236	Y102-F215 HydrophobicContact CD1-CD2 4.42Å; Y102-F215 HydrophobicContact CD1-CE2 4.05Å; Y102-F215 HydrophobicContact CD1-CZ 4.25Å; Y102-F215 HydrophobicContact CE1-CE2 4.49Å; V103-F215 WeakPolarHBondContact O-CE1 3.49Å; Y118-F215 HydrophobicContact CE1-CE2 4.19Å; Y118-F215 AromaticContact CE1-CZ 3.96Å; Y118-F215 HydrophobicContact CE1-CZ 3.96Å; Y118-F215 WeakPolarHBondContact OH-CZ 3.41Å; V122-F215 HydrophobicContact CG1-CE2 3.9Å; V209-F215 HydrophobicContact CG1-CD2 3.92Å; V209-F215 HydrophobicContact CG1-CE2 4.23Å; V209-F215 WeakPolarHBondContact O-CD2 3.26Å; E210-F215 HydrophobicContact CB-CD1 4.06Å; E210-F215 HydrophobicContact CB-CE1 3.57Å; E210-F215 HydrophobicContact CB-CE2 4.23Å; E210-F215 HydrophobicContact CB-CZ 3.65Å; L212-F215 WeakPolarHBondContact O-CB 3.33Å; L212-F215 PolarHBondContact O-N 2.85Å; F215-Q217 PolarHBondContact O-N 3.46Å; F215-F236 AromaticContact CD1-CE1 3.87Å; F215-F236 HydrophobicContact CD1-CE1 3.87Å; F215-F236 HydrophobicContact CE1-CE1 4.31Å
216	G	90	Very high	90.7	Very high	9 Å²	9	52.3 Å²	52.3	9%	0.093	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	16	-177	0	0	0	0	0	115.7	Y102 G214 F235	Y102-G216 VanDerWaalsContact CG-CA 3.46Å; G214-G216 PolarHBondContact O-N 2.87Å; G216-F235 WeakPolarHBondContact O-CA 3.37Å
217	Q	90.9	Very high	90	Very high	56 Å²	56	54.5 Å²	54.5	26%	0.262	29%	0.287	S	S	.	.			trans	-90.3	126.1	178.8	-60.1	179.5	22.8	0	0	111.2	G214 F215 I234 F235 F240	G214-Q217 VanDerWaalsContact O-CB 3.3Å; G214-Q217 WeakPolarHBondContact O-CB 3.49Å; G214-Q217 PolarHBondContact O-N 2.83Å; F215-Q217 PolarHBondContact O-N 3.46Å; Q217-I234 WeakPolarHBondContact CA-O 3.38Å; Q217-F235 HydrophobicContact CG-CB 3.99Å; Q217-F240 HydrophobicContact CB-CE1 3.97Å; Q217-F240 HydrophobicContact CB-CZ 4.03Å; Q217-F240 HydrophobicContact CG-CE1 3.84Å; Q217-F240 HydrophobicContact CG-CZ 4.14Å; Q217-F240 VanDerWaalsContact OE1-CZ 3.32Å
218	E	91.6	Very high	89.6	Confident	46 Å²	46	56.1 Å²	56.1	22%	0.215	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.3	173	-169.5	177.4	162	0	0	108.5	W75 F220 G233 I234 R298	W75-E218 PolarHBondContact NE1-OE1 2.75Å; W75-E218 PolarHBondContact NE1-OE2 3.17Å; E218-F220 HydrophobicContact CG-CE2 4.02Å; E218-F220 HydrophobicContact CG-CZ 3.85Å; E218-F220 WeakPolarHBondContact OE1-CZ 3.41Å; E218-G233 CarbonylContact O-C 3.54Å; E218-G233 VanDerWaalsContact O-CA 3.3Å; E218-G233 WeakPolarHBondContact O-CA 3.46Å; E218-I234 HydrophobicContact CB-CG2 4.07Å; E218-I234 PolarHBondContact N-O 2.94Å; E218-I234 WeakPolarHBondContact O-CG2 3.43Å; E218-I234 PolarHBondContact O-N 3.39Å; E218-R298 IonicContact OE2-CZ 2.66Å; E218-R298 IonicContact OE2-NH1 2.97Å; E218-R298 PolarHBondContact OE2-NH1 3.46Å; E218-R298 IonicContact OE2-NH2 3.42Å; E218-R298 PolarHBondContact OE2-NH2 2.76Å
219	T	91.1	Very high	89.2	Confident	71 Å²	71	56 Å²	56	44%	0.436	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.1	-169.1	56.4	0	0	0	0	113.8	F240	T219-F240 HydrophobicContact CG2-CE2 4.02Å; T219-F240 HydrophobicContact CG2-CZ 3.66Å
220	F	91.6	Very high	89	Confident	26 Å²	26	57.4 Å²	57.4	11%	0.114	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.3	-179.4	-58.6	-82.1	0	0	0	111.1	E218 V222 H231 L232 I234 Y290 I291 L294 F295	E218-F220 HydrophobicContact CG-CE2 4.02Å; E218-F220 HydrophobicContact CG-CZ 3.85Å; E218-F220 WeakPolarHBondContact OE1-CZ 3.41Å; F220-V222 PolarHBondContact O-N 3.31Å; F220-H231 CarbonylContact O-C 3.57Å; F220-H231 WeakPolarHBondContact O-CA 3.48Å; F220-L232 PolarHBondContact N-O 3.12Å; F220-L232 PolarHBondContact O-N 3Å; F220-I234 HydrophobicContact CE2-CG2 4.26Å; F220-Y290 AromaticContact CE1-CE1 3.93Å; F220-Y290 HydrophobicContact CE1-CE1 3.93Å; F220-Y290 HydrophobicContact CZ-CE1 4.26Å; F220-I291 HydrophobicContact CB-CD1 3.67Å; F220-I291 HydrophobicContact CB-CG1 4.34Å; F220-I291 HydrophobicContact CD1-CD1 3.86Å; F220-I291 HydrophobicContact CD1-CG1 3.83Å; F220-I291 HydrophobicContact CD2-CD1 4.5Å; F220-I291 HydrophobicContact CD2-CG1 4.27Å; F220-I291 HydrophobicContact CD2-CG2 4.25Å; F220-I291 HydrophobicContact CE1-CG1 4.25Å; F220-I291 HydrophobicContact CG-CD1 3.73Å; F220-I291 HydrophobicContact CG-CG1 3.85Å; F220-L294 HydrophobicContact CE2-CD2 3.95Å; F220-L294 HydrophobicContact CZ-CD2 3.6Å; F220-F295 AromaticContact CD2-CE1 3.96Å; F220-F295 HydrophobicContact CD2-CE1 3.96Å; F220-F295 HydrophobicContact CD2-CZ 4.19Å; F220-F295 AromaticContact CE2-CE1 3.85Å; F220-F295 HydrophobicContact CE2-CE1 3.85Å
221	P	90.6	Very high	88.9	Confident	71 Å²	71	58.8 Å²	58.8	46%	0.461	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	132.6	172.9	29.3	-33.6	0	0	0	110.3
222	V	91.7	Very high	89	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.024	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	172.5	176.1	-58.5	0	0	0	0	110.5	F220 S229 M230 L232 F280 H281 T282	F220-V222 PolarHBondContact O-N 3.31Å; V222-S229 CarbonylContact O-C 3.59Å; V222-S229 WeakPolarHBondContact O-CA 3.27Å; V222-M230 HydrophobicContact CG2-CB 4.13Å; V222-M230 PolarHBondContact N-O 3.15Å; V222-M230 PolarHBondContact O-N 2.65Å; V222-L232 HydrophobicContact CB-CB 4.41Å; V222-L232 HydrophobicContact CG1-CB 3.62Å; V222-L232 HydrophobicContact CG1-CD2 4.17Å; V222-L232 HydrophobicContact CG2-CB 3.85Å; V222-F280 HydrophobicContact CB-CB 4.26Å; V222-F280 HydrophobicContact CG1-CB 4.43Å; V222-F280 HydrophobicContact CG2-CB 4.32Å; V222-F280 HydrophobicContact CG2-CD1 4.29Å; V222-H281 CarbonylContact C-O 3.58Å; V222-H281 VanDerWaalsContact CA-O 3.31Å; V222-H281 WeakPolarHBondContact CA-O 3.43Å; V222-H281 WeakPolarHBondContact CB-O 3.31Å; V222-T282 HydrophobicContact CG1-CG2 4.28Å
223	K	90.9	Very high	89	Confident	75 Å²	75	50.8 Å²	50.8	33%	0.326	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146.9	167	-67.1	145.2	-177.3	162	0	109.4	N228 F280 H281 D283	K223-N228 CarbonylContact C-O 3.57Å; K223-N228 VanDerWaalsContact CA-O 3.23Å; K223-N228 WeakPolarHBondContact CA-O 3.36Å; K223-F280 CarbonylContact O-C 3.58Å; K223-H281 HydrophobicContact CB-CB 4.2Å; K223-H281 PolarHBondContact N-O 2.92Å; K223-H281 PolarHBondContact O-N 2.9Å; K223-D283 IonicContact NZ-OD1 2.63Å; K223-D283 PolarHBondContact NZ-OD1 3.4Å
224	D	87.3	Confident	89.2	Confident	29 Å²	29	44.3 Å²	44.3	16%	0.155	25%	0.247	C	C	.	.			trans	-76.1	-168.5	172.6	69.7	3.6	0	0	0	111.9	Q226 G227 N228 M230 H281	D224-Q226 PolarHBondContact O-N 3.06Å; D224-Q226 VanDerWaalsContact OD1-C 3.32Å; D224-Q226 VanDerWaalsContact OD1-CA 3.3Å; D224-Q226 WeakPolarHBondContact OD1-CA 3.12Å; D224-Q226 WeakPolarHBondContact OD1-CB 3.42Å; D224-Q226 PolarHBondContact OD1-N 3.27Å; D224-G227 PolarHBondContact O-N 2.79Å; D224-G227 PolarHBondContact OD1-N 2.69Å; D224-N228 PolarHBondContact N-O 3.09Å; D224-N228 PolarHBondContact OD1-N 2.83Å; D224-N228 WeakPolarHBondContact OD2-CB 3.42Å; D224-N228 PolarHBondContact OD2-ND2 3.01Å; D224-M230 HydrophobicContact CB-SD 3.95Å; D224-H281 PolarHBondContact O-ND1 3.09Å; D224-H281 VanDerWaalsContact O-ND1 3.11Å
225	N	84.2	Confident	89.4	Confident	105 Å²	105	44.8 Å²	44.8	56%	0.561	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-8.9	174.9	-71.1	-14.2	0	0	0	114.2	L279 H281	N225-L279 WeakPolarHBondContact OD1-CB 3.32Å; N225-L279 WeakPolarHBondContact OD1-CD2 3.47Å; N225-L279 WeakPolarHBondContact OD1-CG 3.49Å; N225-L279 PolarHBondContact OD1-O 2.91Å; N225-H281 PolarHBondContact OD1-CE1 3.46Å
226	Q	83.3	Confident	89.3	Confident	165 Å²	165	45.9 Å²	45.9	77%	0.771	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-5.4	177.9	-56.3	178	8.4	0	0	111.9	D224 N228	D224-Q226 PolarHBondContact O-N 3.06Å; D224-Q226 VanDerWaalsContact OD1-C 3.32Å; D224-Q226 VanDerWaalsContact OD1-CA 3.3Å; D224-Q226 WeakPolarHBondContact OD1-CA 3.12Å; D224-Q226 WeakPolarHBondContact OD1-CB 3.42Å; D224-Q226 PolarHBondContact OD1-N 3.27Å; Q226-N228 PolarHBondContact OE1-ND2 3.14Å
227	G	81.6	Confident	89.2	Confident	46 Å²	46	48.7 Å²	48.7	47%	0.474	26%	0.261	S	S	.	.			trans	88.6	0.4	-175.9	0	0	0	0	0	114.6	D224 S229	D224-G227 PolarHBondContact O-N 2.79Å; D224-G227 PolarHBondContact OD1-N 2.69Å; G227-S229 PolarHBondContact O-N 3.06Å
228	N	86	Confident	89.2	Confident	73 Å²	73	46 Å²	46	39%	0.39	25%	0.248	S	C	.	.			trans	-65.7	129.5	177.6	-58.3	-57.8	0	0	0	109.6	K223 D224 Q226	K223-N228 CarbonylContact C-O 3.57Å; K223-N228 VanDerWaalsContact CA-O 3.23Å; K223-N228 WeakPolarHBondContact CA-O 3.36Å; D224-N228 PolarHBondContact N-O 3.09Å; D224-N228 PolarHBondContact OD1-N 2.83Å; D224-N228 WeakPolarHBondContact OD2-CB 3.42Å; D224-N228 PolarHBondContact OD2-ND2 3.01Å; Q226-N228 PolarHBondContact OE1-ND2 3.14Å
229	S	87.6	Confident	89.3	Confident	39 Å²	39	43.9 Å²	43.9	27%	0.273	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	125.1	179.9	-64	0	0	0	0	111.8	V222 G227 R244	V222-S229 CarbonylContact O-C 3.59Å; V222-S229 WeakPolarHBondContact O-CA 3.27Å; G227-S229 PolarHBondContact O-N 3.06Å; S229-R244 VanDerWaalsContact CB-NE 3.27Å; S229-R244 WeakPolarHBondContact O-CG 3.38Å
230	M	90.4	Very high	89.3	Confident	29 Å²	29	40.7 Å²	40.7	14%	0.143	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	178.1	-178.6	-50.4	-175	90.4	0	0	110.6	V222 D224 V241 N243	V222-M230 HydrophobicContact CG2-CB 4.13Å; V222-M230 PolarHBondContact N-O 3.15Å; V222-M230 PolarHBondContact O-N 2.65Å; D224-M230 HydrophobicContact CB-SD 3.95Å; M230-V241 HydrophobicContact CB-CG1 4.4Å; M230-V241 HydrophobicContact CE-CG1 3.68Å; M230-V241 HydrophobicContact SD-CG1 3.77Å; M230-N243 HydrophobicContact CE-CB 3.79Å
231	H	90.3	Very high	89.2	Confident	63 Å²	63	39.9 Å²	39.9	29%	0.292	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.6	168.1	-62.1	92.2	0	0	0	110.3	F220 V241 R242	F220-H231 CarbonylContact O-C 3.57Å; F220-H231 WeakPolarHBondContact O-CA 3.48Å; H231-V241 WeakPolarHBondContact O-CA 3.4Å; H231-R242 PolarHBondContact N-O 2.74Å; H231-R242 PolarHBondContact O-N 2.66Å
232	L	92.1	Very high	89	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	107.5	171.2	-174.7	65.8	0	0	0	108	F220 V222 I239 V241 I267 F280 I291 F295	F220-L232 PolarHBondContact N-O 3.12Å; F220-L232 PolarHBondContact O-N 3Å; V222-L232 HydrophobicContact CB-CB 4.41Å; V222-L232 HydrophobicContact CG1-CB 3.62Å; V222-L232 HydrophobicContact CG1-CD2 4.17Å; V222-L232 HydrophobicContact CG2-CB 3.85Å; L232-I239 HydrophobicContact CD1-CG2 3.58Å; L232-I239 HydrophobicContact CG-CG2 4.38Å; L232-V241 HydrophobicContact CD1-CG2 3.86Å; L232-I267 HydrophobicContact CD2-CD1 3.77Å; L232-F280 HydrophobicContact CD1-CD2 4.13Å; L232-F280 HydrophobicContact CD1-CE2 4.08Å; L232-F280 HydrophobicContact CD1-CG 4.42Å; L232-F280 HydrophobicContact CD1-CZ 4.34Å; L232-F280 HydrophobicContact CD2-CB 4.5Å; L232-F280 HydrophobicContact CD2-CD2 4.25Å; L232-F280 HydrophobicContact CD2-CG 4.42Å; L232-I291 HydrophobicContact CD2-CG2 4.36Å; L232-F295 HydrophobicContact CD1-CE2 4.28Å; L232-F295 HydrophobicContact CD2-CE2 3.67Å; L232-F295 HydrophobicContact CD2-CZ 4.06Å; L232-F295 HydrophobicContact CG-CE2 3.69Å; L232-F295 HydrophobicContact CG-CZ 3.89Å
233	G	91	Very high	88.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	156.2	-179.6	0	0	0	0	0	113.2	E218 I239 F240	E218-G233 CarbonylContact O-C 3.54Å; E218-G233 VanDerWaalsContact O-CA 3.3Å; E218-G233 WeakPolarHBondContact O-CA 3.46Å; G233-I239 CarbonylContact O-C 3.6Å; G233-I239 WeakPolarHBondContact O-CA 3.36Å; G233-I239 WeakPolarHBondContact O-CG2 3.25Å; G233-F240 PolarHBondContact N-O 3.14Å; G233-F240 PolarHBondContact O-N 2.8Å
234	I	92.6	Very high	87.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.1	174.5	-179.2	163.3	0	0	0	109.8	Q217 E218 F220 W254 F295 R298	Q217-I234 WeakPolarHBondContact CA-O 3.38Å; E218-I234 HydrophobicContact CB-CG2 4.07Å; E218-I234 PolarHBondContact N-O 2.94Å; E218-I234 WeakPolarHBondContact O-CG2 3.43Å; E218-I234 PolarHBondContact O-N 3.39Å; F220-I234 HydrophobicContact CE2-CG2 4.26Å; I234-W254 HydrophobicContact CD1-CH2 3.53Å; I234-W254 HydrophobicContact CD1-CZ2 3.81Å; I234-W254 HydrophobicContact CG1-CH2 3.94Å; I234-W254 HydrophobicContact CG1-CZ2 3.85Å; I234-F295 HydrophobicContact CB-CD1 4.09Å; I234-F295 HydrophobicContact CB-CE1 3.58Å; I234-F295 HydrophobicContact CB-CE2 4.48Å; I234-F295 HydrophobicContact CB-CZ 3.79Å; I234-F295 HydrophobicContact CD1-CB 4.1Å; I234-F295 HydrophobicContact CD1-CD1 3.41Å; I234-F295 VanDerWaalsContact CD1-CD1 3.41Å; I234-F295 HydrophobicContact CD1-CD2 4.43Å; I234-F295 HydrophobicContact CD1-CE1 3.86Å; I234-F295 HydrophobicContact CD1-CG 3.73Å; I234-F295 HydrophobicContact CG1-CD1 4.36Å; I234-F295 HydrophobicContact CG1-CE1 4.34Å; I234-F295 HydrophobicContact CG2-CD1 4.03Å; I234-F295 HydrophobicContact CG2-CE1 3.39Å; I234-F295 HydrophobicContact CG2-CZ 3.98Å; I234-R298 HydrophobicContact CD1-CB 3.73Å; I234-R298 HydrophobicContact CD1-CG 4.25Å
235	F	91	Very high	86.3	Confident	25 Å²	25	53.3 Å²	53.3	11%	0.11	27%	0.266	C	S	.	.			trans	-152.6	-173	179	73.2	-58.6	0	0	0	110.4	G216 Q217 M237 G238 F240 I251	G216-F235 WeakPolarHBondContact O-CA 3.37Å; Q217-F235 HydrophobicContact CG-CB 3.99Å; F235-M237 HydrophobicContact CD2-CB 4.29Å; F235-M237 HydrophobicContact CD2-CG 4.3Å; F235-M237 HydrophobicContact CE1-CB 4.25Å; F235-M237 HydrophobicContact CE2-CB 3.64Å; F235-M237 HydrophobicContact CE2-CG 3.64Å; F235-M237 HydrophobicContact CZ-CB 3.63Å; F235-M237 HydrophobicContact CZ-CG 4.11Å; F235-M237 PolarHBondContact O-N 2.83Å; F235-G238 VanDerWaalsContact CD1-O 3.24Å; F235-G238 WeakPolarHBondContact CD1-O 3.48Å; F235-G238 PolarHBondContact N-O 2.8Å; F235-G238 PolarHBondContact O-N 2.87Å; F235-F240 AromaticContact CD1-CD1 3.67Å; F235-F240 HydrophobicContact CD1-CD1 3.67Å; F235-F240 HydrophobicContact CD1-CE1 4.2Å; F235-F240 AromaticContact CE1-CD1 3.97Å; F235-F240 HydrophobicContact CE1-CD1 3.97Å; F235-F240 HydrophobicContact CG-CD1 4.48Å; F235-I251 HydrophobicContact CE1-CG2 4.13Å; F235-I251 HydrophobicContact CZ-CD1 4.5Å; F235-I251 HydrophobicContact CZ-CG2 4.22Å
236	F	89.4	Confident	85.1	Confident	29 Å²	29	50.5 Å²	50.5	13%	0.127	26%	0.262	C	S	.	.	S	Bend	trans	-64	-35	-174.7	56.2	-90.1	0	0	0	113.6	Y102 P104 F215 W254 Y302 C308	Y102-F236 WeakPolarHBondContact O-CB 3.41Å; P104-F236 HydrophobicContact CB-CD2 3.67Å; P104-F236 HydrophobicContact CB-CE2 3.57Å; P104-F236 HydrophobicContact CB-CZ 4.42Å; P104-F236 HydrophobicContact CG-CD2 4.5Å; F215-F236 AromaticContact CD1-CE1 3.87Å; F215-F236 HydrophobicContact CD1-CE1 3.87Å; F215-F236 HydrophobicContact CE1-CE1 4.31Å; F236-W254 PolarHBondContact O-NE1 3.31Å; F236-Y302 HydrophobicContact CB-CE1 3.89Å; F236-C308 PolarHBondContact O-SG 3.2Å
237	M	88.6	Confident	83.7	Confident	68 Å²	68	53.3 Å²	53.3	34%	0.335	27%	0.266	S	S	.	.	S	Bend	trans	-80	-23.2	179.7	-54.6	-91	59.6	0	0	114.7	F235 R253 W254 C308	F235-M237 HydrophobicContact CD2-CB 4.29Å; F235-M237 HydrophobicContact CD2-CG 4.3Å; F235-M237 HydrophobicContact CE1-CB 4.25Å; F235-M237 HydrophobicContact CE2-CB 3.64Å; F235-M237 HydrophobicContact CE2-CG 3.64Å; F235-M237 HydrophobicContact CZ-CB 3.63Å; F235-M237 HydrophobicContact CZ-CG 4.11Å; F235-M237 PolarHBondContact O-N 2.83Å; M237-R253 WeakPolarHBondContact O-CA 3.01Å; M237-W254 VanDerWaalsContact C-CD1 3.41Å; M237-W254 VanDerWaalsContact O-CD1 3.29Å; M237-W254 PolarHBondContact O-N 2.88Å; M237-W254 VanDerWaalsContact O-N 3.08Å; M237-C308 HydrophobicContact CE-CB 3.65Å; M237-C308 VanDerWaalsContact CE-SG 3.53Å
238	G	91.5	Very high	82.6	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.6	-155.4	-171.2	0	0	0	0	0	115.5	F235 Y252 W254	F235-G238 VanDerWaalsContact CD1-O 3.24Å; F235-G238 WeakPolarHBondContact CD1-O 3.48Å; F235-G238 PolarHBondContact N-O 2.8Å; F235-G238 PolarHBondContact O-N 2.87Å; G238-Y252 VanDerWaalsContact CA-O 3.29Å; G238-Y252 WeakPolarHBondContact CA-O 3.36Å; G238-W254 VanDerWaalsContact CA-CE2 3.47Å
239	I	92.8	Very high	82	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	139.3	174.4	-65.2	166.6	0	0	0	108.1	L232 G233 I251 Y252 W254 I257 V260 L269 F295	L232-I239 HydrophobicContact CD1-CG2 3.58Å; L232-I239 HydrophobicContact CG-CG2 4.38Å; G233-I239 CarbonylContact O-C 3.6Å; G233-I239 WeakPolarHBondContact O-CA 3.36Å; G233-I239 WeakPolarHBondContact O-CG2 3.25Å; I239-I251 WeakPolarHBondContact O-CA 3.47Å; I239-Y252 HydrophobicContact CG2-CD2 4.5Å; I239-Y252 PolarHBondContact N-O 2.91Å; I239-Y252 PolarHBondContact O-N 2.84Å; I239-W254 HydrophobicContact CD1-CH2 4.12Å; I239-W254 HydrophobicContact CD1-CZ3 3.91Å; I239-W254 HydrophobicContact CG1-CH2 3.67Å; I239-W254 HydrophobicContact CG1-CZ3 3.87Å; I239-I257 HydrophobicContact CB-CD1 4.42Å; I239-I257 HydrophobicContact CD1-CD1 3.87Å; I239-I257 HydrophobicContact CG1-CD1 4.19Å; I239-V260 HydrophobicContact CD1-CG2 4.17Å; I239-L269 HydrophobicContact CD1-CD1 3.71Å; I239-F295 HydrophobicContact CD1-CB 4.48Å; I239-F295 HydrophobicContact CD1-CD2 3.42Å; I239-F295 VanDerWaalsContact CD1-CD2 3.42Å; I239-F295 HydrophobicContact CD1-CE2 3.92Å; I239-F295 HydrophobicContact CD1-CG 4.28Å; I239-F295 HydrophobicContact CG1-CD2 3.79Å; I239-F295 HydrophobicContact CG1-CE2 3.89Å; I239-F295 HydrophobicContact CG2-CD2 4.48Å; I239-F295 HydrophobicContact CG2-CE2 3.87Å
240	F	90.9	Very high	81.8	Confident	5 Å²	5	59.3 Å²	59.3	2%	0.022	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	152.4	174.3	69.6	-92.6	0	0	0	112.8	Q217 T219 G233 F235 R242 V250 I251	Q217-F240 HydrophobicContact CB-CE1 3.97Å; Q217-F240 HydrophobicContact CB-CZ 4.03Å; Q217-F240 HydrophobicContact CG-CE1 3.84Å; Q217-F240 HydrophobicContact CG-CZ 4.14Å; Q217-F240 VanDerWaalsContact OE1-CZ 3.32Å; T219-F240 HydrophobicContact CG2-CE2 4.02Å; T219-F240 HydrophobicContact CG2-CZ 3.66Å; G233-F240 PolarHBondContact N-O 3.14Å; G233-F240 PolarHBondContact O-N 2.8Å; F235-F240 AromaticContact CD1-CD1 3.67Å; F235-F240 HydrophobicContact CD1-CD1 3.67Å; F235-F240 HydrophobicContact CD1-CE1 4.2Å; F235-F240 AromaticContact CE1-CD1 3.97Å; F235-F240 HydrophobicContact CE1-CD1 3.97Å; F235-F240 HydrophobicContact CG-CD1 4.48Å; F240-R242 HydrophobicContact CD2-CB 4.24Å; F240-R242 HydrophobicContact CE2-CB 4.26Å; F240-V250 CarbonylContact C-O 3.52Å; F240-V250 WeakPolarHBondContact CA-O 3.31Å; F240-I251 HydrophobicContact CB-CG1 4.02Å
241	V	90.1	Very high	81.8	Confident	8 Å²	8	62.2 Å²	62.2	5%	0.048	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	108.6	178.6	-173.2	0	0	0	0	109.2	M230 H231 L232 A249 V250 Y252 F280	M230-V241 HydrophobicContact CB-CG1 4.4Å; M230-V241 HydrophobicContact CE-CG1 3.68Å; M230-V241 HydrophobicContact SD-CG1 3.77Å; H231-V241 WeakPolarHBondContact O-CA 3.4Å; L232-V241 HydrophobicContact CD1-CG2 3.86Å; V241-A249 VanDerWaalsContact O-CA 3.31Å; V241-A249 WeakPolarHBondContact O-CA 3.25Å; V241-V250 PolarHBondContact N-O 2.84Å; V241-V250 PolarHBondContact O-N 3.23Å; V241-Y252 HydrophobicContact CG2-CE2 3.87Å; V241-F280 HydrophobicContact CG1-CE1 3.95Å; V241-F280 HydrophobicContact CG2-CE1 3.7Å; V241-F280 HydrophobicContact CG2-CE2 4.47Å; V241-F280 HydrophobicContact CG2-CZ 3.55Å
242	R	86.7	Confident	81.8	Confident	92 Å²	92	61.2 Å²	61.2	35%	0.347	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.8	-178.2	-167.5	179.6	-66.7	160.6	5.4	110	H231 F240	H231-R242 PolarHBondContact N-O 2.74Å; H231-R242 PolarHBondContact O-N 2.66Å; F240-R242 HydrophobicContact CD2-CB 4.24Å; F240-R242 HydrophobicContact CE2-CB 4.26Å
243	N	80.6	Confident	81.7	Confident	63 Å²	63	67 Å²	67	34%	0.337	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	153.3	173.3	-164.7	-23	0	0	0	110.2	M230 I245 G246	M230-N243 HydrophobicContact CE-CB 3.79Å; N243-I245 PolarHBondContact O-N 3.42Å; N243-G246 PolarHBondContact O-N 3.35Å
244	R	68.6	Low	81.6	Confident	172 Å²	172	67.1 Å²	67.1	65%	0.649	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-24.3	-179.7	-82.5	-179.6	179.3	-144	5.7	114.5	S229 G246	S229-R244 VanDerWaalsContact CB-NE 3.27Å; S229-R244 WeakPolarHBondContact O-CG 3.38Å; R244-G246 VanDerWaalsContact C-N 3.25Å; R244-G246 PolarHBondContact O-N 2.96Å
245	I	62.6	Low	81.4	Confident	134 Å²	134	70.5 Å²	70.5	69%	0.687	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-4.3	177.3	-44.3	179.7	0	0	0	111.8	N243 R247	N243-I245 PolarHBondContact O-N 3.42Å; I245-R247 HydrophobicContact CG2-CG 4.44Å; I245-R247 PolarHBondContact O-N 3.2Å
246	G	58.5	Low	81.3	Confident	47 Å²	47	72 Å²	72	49%	0.485	35%	0.346	S	S	.	.			trans	72.4	-13.2	172	0	0	0	0	0	116.9	N243 R244 Q248	N243-G246 PolarHBondContact O-N 3.35Å; R244-G246 VanDerWaalsContact C-N 3.25Å; R244-G246 PolarHBondContact O-N 2.96Å; G246-Q248 PolarHBondContact O-N 2.76Å
247	R	55.8	Low	81.3	Confident	224 Å²	224	70.6 Å²	70.6	85%	0.845	34%	0.34	S	S	*	.	S	Bend	trans	-72.2	-20	-167	-74	-175.3	174.3	-158.2	-4.2	117.1	I245	I245-R247 HydrophobicContact CG2-CG 4.44Å; I245-R247 PolarHBondContact O-N 3.2Å
248	Q	58.3	Low	81.2	Confident	160 Å²	160	69.2 Å²	69.2	75%	0.748	34%	0.343	S	S	*	.			trans	-142.9	139.3	177.6	-71.7	-178	-17.1	0	0	110.1	G246	G246-Q248 PolarHBondContact O-N 2.76Å
249	A	72.1	Confident	81.1	Confident	48 Å²	48	70.6 Å²	70.6	40%	0.397	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	111.3	171	0	0	0	0	0	108.7	V241	V241-A249 VanDerWaalsContact O-CA 3.31Å; V241-A249 WeakPolarHBondContact O-CA 3.25Å
250	V	85.1	Confident	81.1	Confident	76 Å²	76	70.9 Å²	70.9	46%	0.461	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	128.1	170	179.8	0	0	0	0	107.2	F240 V241 Y252	F240-V250 CarbonylContact C-O 3.52Å; F240-V250 WeakPolarHBondContact CA-O 3.31Å; V241-V250 PolarHBondContact N-O 2.84Å; V241-V250 PolarHBondContact O-N 3.23Å; V250-Y252 HydrophobicContact CG1-CE1 4.07Å; V250-Y252 HydrophobicContact CG1-CE2 3.99Å
251	I	88.8	Confident	81.2	Confident	89 Å²	89	73.3 Å²	73.3	46%	0.456	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.8	-179.1	-56.2	177.2	0	0	0	109.1	F235 I239 F240	F235-I251 HydrophobicContact CE1-CG2 4.13Å; F235-I251 HydrophobicContact CZ-CD1 4.5Å; F235-I251 HydrophobicContact CZ-CG2 4.22Å; I239-I251 WeakPolarHBondContact O-CA 3.47Å; F240-I251 HydrophobicContact CB-CG1 4.02Å
252	Y	89.9	Confident	81.3	Confident	43 Å²	43	75.9 Å²	75.9	17%	0.169	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	114.6	170.2	-51.5	-80.6	0	0	0	107.6	G238 I239 V241 V250 L269 L271 F280	G238-Y252 VanDerWaalsContact CA-O 3.29Å; G238-Y252 WeakPolarHBondContact CA-O 3.36Å; I239-Y252 HydrophobicContact CG2-CD2 4.5Å; I239-Y252 PolarHBondContact N-O 2.91Å; I239-Y252 PolarHBondContact O-N 2.84Å; V241-Y252 HydrophobicContact CG2-CE2 3.87Å; V250-Y252 HydrophobicContact CG1-CE1 4.07Å; V250-Y252 HydrophobicContact CG1-CE2 3.99Å; Y252-L269 HydrophobicContact CD1-CD2 4.04Å; Y252-L269 HydrophobicContact CD2-CD2 3.45Å; Y252-L269 VanDerWaalsContact CD2-CD2 3.45Å; Y252-L269 HydrophobicContact CE1-CD2 4.36Å; Y252-L269 HydrophobicContact CE2-CD2 3.82Å; Y252-L269 HydrophobicContact CG-CD2 3.56Å; Y252-L271 HydrophobicContact CD1-CD1 4.09Å; Y252-L271 HydrophobicContact CD1-CD2 3.76Å; Y252-L271 HydrophobicContact CE1-CD1 4.08Å; Y252-L271 HydrophobicContact CE1-CD2 4.4Å; Y252-L271 HydrophobicContact CG-CD2 4.37Å; Y252-F280 HydrophobicContact CE2-CZ 4.41Å
253	R	90	Very high	81.6	Confident	124 Å²	124	75 Å²	75	47%	0.468	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	158.2	-178.1	-46.6	-180	-151.7	-155.7	9.2	110.3	M237 N255 D256 I257 E310	M237-R253 WeakPolarHBondContact O-CA 3.01Å; R253-N255 PolarHBondContact O-N 3.49Å; R253-N255 VanDerWaalsContact O-N 3.08Å; R253-D256 VanDerWaalsContact CB-OD2 3.25Å; R253-D256 WeakPolarHBondContact CB-OD2 3.43Å; R253-D256 VanDerWaalsContact CG-OD2 3.27Å; R253-D256 WeakPolarHBondContact CG-OD2 3.3Å; R253-D256 PolarHBondContact N-OD2 2.85Å; R253-D256 PolarHBondContact O-N 3.3Å; R253-I257 WeakPolarHBondContact O-CD1 3.34Å; R253-I257 WeakPolarHBondContact O-CG1 3.46Å; R253-I257 PolarHBondContact O-N 2.86Å; R253-E310 IonicContact NH1-OE1 3.97Å; R253-E310 PolarHBondContact NH1-OE1 2.84Å
254	W	90.9	Very high	82.1	Confident	2 Å²	2	80 Å²	80	1%	0.008	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-19	175.3	-63.3	127.1	0	0	0	115.3	I234 F236 M237 G238 I239 I257 R298 H299 Y302	I234-W254 HydrophobicContact CD1-CH2 3.53Å; I234-W254 HydrophobicContact CD1-CZ2 3.81Å; I234-W254 HydrophobicContact CG1-CH2 3.94Å; I234-W254 HydrophobicContact CG1-CZ2 3.85Å; F236-W254 PolarHBondContact O-NE1 3.31Å; M237-W254 VanDerWaalsContact C-CD1 3.41Å; M237-W254 VanDerWaalsContact O-CD1 3.29Å; M237-W254 PolarHBondContact O-N 2.88Å; M237-W254 VanDerWaalsContact O-N 3.08Å; G238-W254 VanDerWaalsContact CA-CE2 3.47Å; I239-W254 HydrophobicContact CD1-CH2 4.12Å; I239-W254 HydrophobicContact CD1-CZ3 3.91Å; I239-W254 HydrophobicContact CG1-CH2 3.67Å; I239-W254 HydrophobicContact CG1-CZ3 3.87Å; W254-I257 HydrophobicContact CE3-CD1 3.68Å; W254-I257 HydrophobicContact CZ3-CD1 3.81Å; W254-R298 HydrophobicContact CZ2-CB 4.31Å; W254-H299 HydrophobicContact CD2-CB 4.37Å; W254-H299 HydrophobicContact CE3-CB 3.57Å; W254-H299 AromaticContact CE3-CD2 3.67Å; W254-H299 AromaticContact CE3-CG 3.61Å; W254-H299 HydrophobicContact CH2-CB 4.28Å; W254-H299 HydrophobicContact CZ3-CB 3.53Å; W254-H299 AromaticContact CZ3-CG 3.98Å; W254-H299 PolarHBondContact O-NE2 2.81Å; W254-Y302 AromaticContact CD1-CD2 3.9Å; W254-Y302 AromaticContact CE2-CD2 3.71Å; W254-Y302 HydrophobicContact CZ2-CD2 4.09Å; W254-Y302 HydrophobicContact CZ2-CE2 4.39Å; W254-Y302 AromaticContact NE1-CD2 3.17Å; W254-Y302 AromaticContact NE1-CE2 3.91Å; W254-Y302 AromaticContact NE1-CG 3.73Å
255	N	88.3	Confident	83.2	Confident	71 Å²	71	73.6 Å²	73.6	38%	0.38	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-27.6	174.9	-57.2	-31.6	0	0	0	111.7	R253 I272 C308	R253-N255 PolarHBondContact O-N 3.49Å; R253-N255 VanDerWaalsContact O-N 3.08Å; N255-I272 WeakPolarHBondContact O-CD1 3.42Å; N255-C308 PolarHBondContact ND2-O 2.61Å
256	D	88.5	Confident	84.6	Confident	55 Å²	55	68 Å²	68	29%	0.294	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-16	-175.1	-34.5	-24.6	0	0	0	111.8	R253 L271 I272	R253-D256 VanDerWaalsContact CB-OD2 3.25Å; R253-D256 WeakPolarHBondContact CB-OD2 3.43Å; R253-D256 VanDerWaalsContact CG-OD2 3.27Å; R253-D256 WeakPolarHBondContact CG-OD2 3.3Å; R253-D256 PolarHBondContact N-OD2 2.85Å; R253-D256 PolarHBondContact O-N 3.3Å; D256-L271 CarbonylContact O-C 3.44Å; D256-L271 VanDerWaalsContact O-CA 3.3Å; D256-L271 WeakPolarHBondContact O-CA 3.27Å; D256-I272 PolarHBondContact O-N 3.09Å
257	I	89.7	Confident	86.3	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.4	-174.6	-63.1	161.2	0	0	0	110.7	I239 R253 W254 V260 L269 L271 H299	I239-I257 HydrophobicContact CB-CD1 4.42Å; I239-I257 HydrophobicContact CD1-CD1 3.87Å; I239-I257 HydrophobicContact CG1-CD1 4.19Å; R253-I257 WeakPolarHBondContact O-CD1 3.34Å; R253-I257 WeakPolarHBondContact O-CG1 3.46Å; R253-I257 PolarHBondContact O-N 2.86Å; W254-I257 HydrophobicContact CE3-CD1 3.68Å; W254-I257 HydrophobicContact CZ3-CD1 3.81Å; I257-V260 HydrophobicContact CG2-CG2 3.9Å; I257-L269 HydrophobicContact CD1-CD1 4.25Å; I257-L269 HydrophobicContact CG1-CD1 4.05Å; I257-L269 HydrophobicContact CG2-CD1 3.74Å; I257-L271 HydrophobicContact CG1-CD2 4.31Å; I257-H299 PolarHBondContact O-CE1 3.35Å
258	G	86.4	Confident	88	Confident	39 Å²	39	57 Å²	57	40%	0.402	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-60.3	170.3	0	0	0	0	0	111.3	E270	G258-E270 WeakPolarHBondContact CA-O 3.34Å; G258-E270 PolarHBondContact N-O 2.81Å
259	S	88.9	Confident	89.5	Confident	30 Å²	30	49.5 Å²	49.5	21%	0.21	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	162.1	-175.7	112.5	0	0	0	0	113.2	E270	S259-E270 VanDerWaalsContact CB-OE2 3.24Å; S259-E270 WeakPolarHBondContact CB-OE2 3.48Å; S259-E270 PolarHBondContact N-O 2.86Å; S259-E270 PolarHBondContact O-N 3.35Å; S259-E270 PolarHBondContact OG-OE2 3.16Å
260	V	92.8	Very high	90.4	Very high	6 Å²	6	50.7 Å²	50.7	4%	0.036	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	86.5	179	-163.3	0	0	0	0	110.6	I239 I257 I267 L268 L269 S292 F295 T296	I239-V260 HydrophobicContact CD1-CG2 4.17Å; I257-V260 HydrophobicContact CG2-CG2 3.9Å; V260-I267 HydrophobicContact CG1-CG2 4.21Å; V260-L268 CarbonylContact C-O 3.59Å; V260-L268 WeakPolarHBondContact CA-O 3.49Å; V260-L269 HydrophobicContact CG1-CD1 4.38Å; V260-L269 HydrophobicContact CG2-CD1 3.86Å; V260-S292 PolarHBondContact O-OG 3.28Å; V260-F295 HydrophobicContact CB-CB 4.34Å; V260-F295 HydrophobicContact CG1-CB 3.83Å; V260-F295 HydrophobicContact CG1-CD2 4.11Å; V260-F295 HydrophobicContact CG1-CG 4.46Å; V260-F295 HydrophobicContact CG2-CB 4.43Å; V260-T296 PolarHBondContact O-OG1 3.33Å
261	T	92.1	Very high	90.5	Very high	57 Å²	57	48.5 Å²	48.5	35%	0.35	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	179.8	-175.7	61.1	0	0	0	0	112.2	L268	T261-L268 PolarHBondContact N-O 2.89Å; T261-L268 PolarHBondContact O-N 2.82Å
262	H	93.3	Very high	90.3	Very high	62 Å²	62	48.6 Å²	48.6	29%	0.287	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	144.9	171.8	63.9	-71.7	0	0	0	110.3	S266 A288 K289 S292	H262-S266 CarbonylContact C-O 3.57Å; H262-S266 WeakPolarHBondContact CA-O 3.48Å; H262-S266 WeakPolarHBondContact CB-O 3.5Å; H262-A288 HydrophobicContact CB-CB 4.26Å; H262-K289 VanDerWaalsContact NE2-CE 3.26Å; H262-K289 WeakPolarHBondContact NE2-CE 3.08Å; H262-S292 PolarHBondContact ND1-OG 2.83Å
263	S	91.8	Very high	89.3	Confident	74 Å²	74	53.6 Å²	53.6	52%	0.517	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	114.6	175.8	-174.9	0	0	0	0	108.6	S265 S266	S263-S265 PolarHBondContact O-N 3.04Å; S263-S266 PolarHBondContact N-O 2.94Å; S263-S266 WeakPolarHBondContact O-CB 3.35Å; S263-S266 PolarHBondContact O-N 2.85Å
264	K	91.3	Very high	88	Confident	167 Å²	167	52.9 Å²	52.9	73%	0.726	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	-122.2	-170.2	-56.1	174.2	-175.8	173.3	0	110.4
265	S	91.6	Very high	86.6	Confident	38 Å²	38	62.3 Å²	62.3	27%	0.266	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	6	176.1	53.5	0	0	0	0	113.6	S263 T282	S263-S265 PolarHBondContact O-N 3.04Å; S265-T282 PolarHBondContact O-N 3.13Å; S265-T282 PolarHBondContact O-OG1 3.02Å
266	S	92.1	Very high	85.8	Confident	15 Å²	15	64.3 Å²	64.3	11%	0.105	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	144.4	178.8	-43.3	0	0	0	0	112.1	H262 S263 F280 H281	H262-S266 CarbonylContact C-O 3.57Å; H262-S266 WeakPolarHBondContact CA-O 3.48Å; H262-S266 WeakPolarHBondContact CB-O 3.5Å; S263-S266 PolarHBondContact N-O 2.94Å; S263-S266 WeakPolarHBondContact O-CB 3.35Å; S263-S266 PolarHBondContact O-N 2.85Å; S266-F280 CarbonylContact C-O 3.46Å; S266-F280 WeakPolarHBondContact CA-O 3.38Å; S266-H281 PolarHBondContact OG-CD2 2.83Å; S266-H281 PolarHBondContact OG-NE2 2.84Å; S266-H281 VanDerWaalsContact OG-NE2 3.12Å
267	I	93.9	Very high	85.6	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.01	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.9	170	-58.5	160.4	0	0	0	107.3	L232 V260 F280 T282 A288 I291	L232-I267 HydrophobicContact CD2-CD1 3.77Å; V260-I267 HydrophobicContact CG1-CG2 4.21Å; I267-F280 PolarHBondContact N-O 3.25Å; I267-F280 PolarHBondContact O-N 3.42Å; I267-T282 HydrophobicContact CD1-CG2 3.57Å; I267-T282 HydrophobicContact CG1-CG2 4.07Å; I267-A288 HydrophobicContact CG1-CB 4.32Å; I267-I291 HydrophobicContact CD1-CB 3.75Å; I267-I291 HydrophobicContact CD1-CD1 4.05Å; I267-I291 HydrophobicContact CD1-CG2 3.56Å
268	L	91.8	Very high	85.4	Confident	39 Å²	39	66.3 Å²	66.3	20%	0.204	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.8	178.5	-173.9	74.7	0	0	0	109.2	V260 T261 E270 T277 L279	V260-L268 CarbonylContact C-O 3.59Å; V260-L268 WeakPolarHBondContact CA-O 3.49Å; T261-L268 PolarHBondContact N-O 2.89Å; T261-L268 PolarHBondContact O-N 2.82Å; L268-E270 HydrophobicContact CD2-CG 4.34Å; L268-T277 HydrophobicContact CD1-CG2 4.39Å; L268-L279 HydrophobicContact CD1-CD1 3.99Å
269	L	91.2	Very high	85.6	Confident	3 Å²	3	67 Å²	67	2%	0.016	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	117	174.7	-173.4	70.3	0	0	0	108.7	I239 Y252 I257 V260 L271 T277 A278	I239-L269 HydrophobicContact CD1-CD1 3.71Å; Y252-L269 HydrophobicContact CD1-CD2 4.04Å; Y252-L269 HydrophobicContact CD2-CD2 3.45Å; Y252-L269 VanDerWaalsContact CD2-CD2 3.45Å; Y252-L269 HydrophobicContact CE1-CD2 4.36Å; Y252-L269 HydrophobicContact CE2-CD2 3.82Å; Y252-L269 HydrophobicContact CG-CD2 3.56Å; I257-L269 HydrophobicContact CD1-CD1 4.25Å; I257-L269 HydrophobicContact CG1-CD1 4.05Å; I257-L269 HydrophobicContact CG2-CD1 3.74Å; V260-L269 HydrophobicContact CG1-CD1 4.38Å; V260-L269 HydrophobicContact CG2-CD1 3.86Å; L269-L271 HydrophobicContact CD2-CD2 4.14Å; L269-L271 HydrophobicContact CG-CD2 4.24Å; L269-T277 CarbonylContact O-C 3.5Å; L269-T277 VanDerWaalsContact O-CA 3.32Å; L269-T277 WeakPolarHBondContact O-CA 3.39Å; L269-A278 HydrophobicContact CB-CB 4.19Å; L269-A278 HydrophobicContact CD2-CB 4.45Å; L269-A278 PolarHBondContact N-O 3.34Å; L269-A278 PolarHBondContact O-N 2.72Å
270	E	89.4	Confident	85.7	Confident	72 Å²	72	66.2 Å²	66.2	34%	0.336	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.3	176.1	-69.9	162.3	-169.5	0	0	108.7	G258 S259 L268 T277	G258-E270 WeakPolarHBondContact CA-O 3.34Å; G258-E270 PolarHBondContact N-O 2.81Å; S259-E270 VanDerWaalsContact CB-OE2 3.24Å; S259-E270 WeakPolarHBondContact CB-OE2 3.48Å; S259-E270 PolarHBondContact N-O 2.86Å; S259-E270 PolarHBondContact O-N 3.35Å; S259-E270 PolarHBondContact OG-OE2 3.16Å; L268-E270 HydrophobicContact CD2-CG 4.34Å; E270-T277 HydrophobicContact CG-CG2 4.23Å
271	L	88.3	Confident	85.7	Confident	30 Å²	30	68.7 Å²	68.7	16%	0.157	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	158	177.4	-57.7	-178.9	0	0	0	110.6	Y252 D256 I257 L269 K274	Y252-L271 HydrophobicContact CD1-CD1 4.09Å; Y252-L271 HydrophobicContact CD1-CD2 3.76Å; Y252-L271 HydrophobicContact CE1-CD1 4.08Å; Y252-L271 HydrophobicContact CE1-CD2 4.4Å; Y252-L271 HydrophobicContact CG-CD2 4.37Å; D256-L271 CarbonylContact O-C 3.44Å; D256-L271 VanDerWaalsContact O-CA 3.3Å; D256-L271 WeakPolarHBondContact O-CA 3.27Å; I257-L271 HydrophobicContact CG1-CD2 4.31Å; L269-L271 HydrophobicContact CD2-CD2 4.14Å; L269-L271 HydrophobicContact CG-CD2 4.24Å; L271-K274 HydrophobicContact CB-CB 4.5Å
272	I	83.8	Confident	85.7	Confident	91 Å²	91	66.4 Å²	66.4	47%	0.467	34%	0.339	S	S	.	.	S	Bend	trans	-80.7	-52.8	-177.7	-57.7	-170.3	0	0	0	111.4	N255 D256 K274	N255-I272 WeakPolarHBondContact O-CD1 3.42Å; D256-I272 PolarHBondContact O-N 3.09Å; I272-K274 VanDerWaalsContact C-N 3.3Å; I272-K274 PolarHBondContact O-N 2.91Å
273	D	70.3	Confident	85.5	Confident	149 Å²	149	68.7 Å²	68.7	80%	0.797	35%	0.353	S	S	*	.	S	Bend	trans	-88.6	5.3	-171	-62.2	-25.9	0	0	0	113.6
274	K	62.4	Low	85.4	Confident	108 Å²	108	67.9 Å²	67.9	47%	0.47	34%	0.343	S	S	.	.			trans	-145.5	140.1	-177	-58.6	-163.2	-177.9	-170	0	112.2	L271 I272 E276	L271-K274 HydrophobicContact CB-CB 4.5Å; I272-K274 VanDerWaalsContact C-N 3.3Å; I272-K274 PolarHBondContact O-N 2.91Å; K274-E276 HydrophobicContact CB-CB 3.95Å; K274-E276 HydrophobicContact CB-CG 4.27Å; K274-E276 HydrophobicContact CD-CB 4.06Å; K274-E276 HydrophobicContact CD-CG 3.89Å; K274-E276 WeakPolarHBondContact CD-OE1 3.28Å; K274-E276 WeakPolarHBondContact CD-OE2 3.35Å; K274-E276 IonicContact NZ-OE1 2.71Å; K274-E276 PolarHBondContact NZ-OE1 3.48Å; K274-E276 IonicContact NZ-OE2 2.71Å; K274-E276 PolarHBondContact NZ-OE2 3.29Å; K274-E276 PolarHBondContact O-N 2.95Å; K274-E276 VanDerWaalsContact O-N 3.14Å
275	E	61.5	Low	85.4	Confident	201 Å²	201	64.6 Å²	64.6	94%	0.939	33%	0.332	S	S	*	.	S	Bend	trans	-71.3	4.1	164.6	-58.2	-174.9	149.4	0	0	113	T277	E275-T277 PolarHBondContact O-N 3.41Å; E275-T277 VanDerWaalsContact O-N 3.1Å
276	E	71.5	Confident	85.3	Confident	113 Å²	113	66.8 Å²	66.8	53%	0.528	34%	0.338	S	S	.	.			trans	-69.9	96.2	171.3	-73.2	176.5	-157.1	0	0	111.1	K274	K274-E276 HydrophobicContact CB-CB 3.95Å; K274-E276 HydrophobicContact CB-CG 4.27Å; K274-E276 HydrophobicContact CD-CB 4.06Å; K274-E276 HydrophobicContact CD-CG 3.89Å; K274-E276 WeakPolarHBondContact CD-OE1 3.28Å; K274-E276 WeakPolarHBondContact CD-OE2 3.35Å; K274-E276 IonicContact NZ-OE1 2.71Å; K274-E276 PolarHBondContact NZ-OE1 3.48Å; K274-E276 IonicContact NZ-OE2 2.71Å; K274-E276 PolarHBondContact NZ-OE2 3.29Å; K274-E276 PolarHBondContact O-N 2.95Å; K274-E276 VanDerWaalsContact O-N 3.14Å
277	T	82.8	Confident	85.2	Confident	81 Å²	81	67 Å²	67	50%	0.497	34%	0.338	S	S	.	.			trans	-83.6	123.9	167.5	63	0	0	0	0	111.2	L268 L269 E270 E275	L268-T277 HydrophobicContact CD1-CG2 4.39Å; L269-T277 CarbonylContact O-C 3.5Å; L269-T277 VanDerWaalsContact O-CA 3.32Å; L269-T277 WeakPolarHBondContact O-CA 3.39Å; E270-T277 HydrophobicContact CG-CG2 4.23Å; E275-T277 PolarHBondContact O-N 3.41Å; E275-T277 VanDerWaalsContact O-N 3.1Å
278	A	87	Confident	85.1	Confident	16 Å²	16	66.9 Å²	66.9	13%	0.132	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	130.2	172.2	0	0	0	0	0	110.7	L269 F280	L269-A278 HydrophobicContact CB-CB 4.19Å; L269-A278 HydrophobicContact CD2-CB 4.45Å; L269-A278 PolarHBondContact N-O 3.34Å; L269-A278 PolarHBondContact O-N 2.72Å; A278-F280 HydrophobicContact CB-CE2 3.73Å; A278-F280 HydrophobicContact CB-CZ 3.79Å
279	L	89.7	Confident	85.2	Confident	53 Å²	53	69 Å²	69	28%	0.277	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.6	-175	-176.7	68.8	0	0	0	110	N225 L268	N225-L279 WeakPolarHBondContact OD1-CB 3.32Å; N225-L279 WeakPolarHBondContact OD1-CD2 3.47Å; N225-L279 WeakPolarHBondContact OD1-CG 3.49Å; N225-L279 PolarHBondContact OD1-O 2.91Å; L268-L279 HydrophobicContact CD1-CD1 3.99Å
280	F	91.8	Very high	85.2	Confident	13 Å²	13	69.8 Å²	69.8	6%	0.057	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	130.9	-178.6	-53.6	-78.1	0	0	0	110.6	V222 K223 L232 V241 Y252 S266 I267 A278	V222-F280 HydrophobicContact CB-CB 4.26Å; V222-F280 HydrophobicContact CG1-CB 4.43Å; V222-F280 HydrophobicContact CG2-CB 4.32Å; V222-F280 HydrophobicContact CG2-CD1 4.29Å; K223-F280 CarbonylContact O-C 3.58Å; L232-F280 HydrophobicContact CD1-CD2 4.13Å; L232-F280 HydrophobicContact CD1-CE2 4.08Å; L232-F280 HydrophobicContact CD1-CG 4.42Å; L232-F280 HydrophobicContact CD1-CZ 4.34Å; L232-F280 HydrophobicContact CD2-CB 4.5Å; L232-F280 HydrophobicContact CD2-CD2 4.25Å; L232-F280 HydrophobicContact CD2-CG 4.42Å; V241-F280 HydrophobicContact CG1-CE1 3.95Å; V241-F280 HydrophobicContact CG2-CE1 3.7Å; V241-F280 HydrophobicContact CG2-CE2 4.47Å; V241-F280 HydrophobicContact CG2-CZ 3.55Å; Y252-F280 HydrophobicContact CE2-CZ 4.41Å; S266-F280 CarbonylContact C-O 3.46Å; S266-F280 WeakPolarHBondContact CA-O 3.38Å; I267-F280 PolarHBondContact N-O 3.25Å; I267-F280 PolarHBondContact O-N 3.42Å; A278-F280 HydrophobicContact CB-CE2 3.73Å; A278-F280 HydrophobicContact CB-CZ 3.79Å
281	H	92.5	Very high	85.4	Confident	59 Å²	59	66.6 Å²	66.6	27%	0.273	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.6	179.7	-63.1	90.3	0	0	0	110.7	V222 K223 D224 N225 S266	V222-H281 CarbonylContact C-O 3.58Å; V222-H281 VanDerWaalsContact CA-O 3.31Å; V222-H281 WeakPolarHBondContact CA-O 3.43Å; V222-H281 WeakPolarHBondContact CB-O 3.31Å; K223-H281 HydrophobicContact CB-CB 4.2Å; K223-H281 PolarHBondContact N-O 2.92Å; K223-H281 PolarHBondContact O-N 2.9Å; D224-H281 PolarHBondContact O-ND1 3.09Å; D224-H281 VanDerWaalsContact O-ND1 3.11Å; N225-H281 PolarHBondContact OD1-CE1 3.46Å; S266-H281 PolarHBondContact OG-CD2 2.83Å; S266-H281 PolarHBondContact OG-NE2 2.84Å; S266-H281 VanDerWaalsContact OG-NE2 3.12Å
282	T	92.6	Very high	85.7	Confident	9 Å²	9	65.5 Å²	65.5	6%	0.055	33%	0.328	C	S	.	.			trans	-102.5	167	168.9	68.4	0	0	0	0	110	V222 S265 I267 D284 A288 I291	V222-T282 HydrophobicContact CG1-CG2 4.28Å; S265-T282 PolarHBondContact O-N 3.13Å; S265-T282 PolarHBondContact O-OG1 3.02Å; I267-T282 HydrophobicContact CD1-CG2 3.57Å; I267-T282 HydrophobicContact CG1-CG2 4.07Å; T282-D284 VanDerWaalsContact C-N 3.3Å; T282-D284 PolarHBondContact O-N 3.43Å; T282-D284 PolarHBondContact OG1-O 3.24Å; T282-A288 HydrophobicContact CG2-CB 4.34Å; T282-A288 WeakPolarHBondContact OG1-CB 3.49Å; T282-A288 PolarHBondContact OG1-N 3.25Å; T282-I291 HydrophobicContact CG2-CD1 4.06Å
283	D	87.9	Confident	86.1	Confident	110 Å²	110	65.6 Å²	65.6	59%	0.588	32%	0.323	S	S	*	.	S	Bend	trans	-71.8	-20.9	-179.1	-62	-51.7	0	0	0	113.7	K223	K223-D283 IonicContact NZ-OD1 2.63Å; K223-D283 PolarHBondContact NZ-OD1 3.4Å
284	D	89.3	Confident	87.3	Confident	56 Å²	56	58.8 Å²	58.8	30%	0.299	29%	0.286	S	S	.	.	S	Bend	trans	-153.8	161	179.7	76.5	85.3	0	0	0	114.9	T282 E286 N287 A288	T282-D284 VanDerWaalsContact C-N 3.3Å; T282-D284 PolarHBondContact O-N 3.43Å; T282-D284 PolarHBondContact OG1-O 3.24Å; D284-E286 VanDerWaalsContact C-N 3.34Å; D284-E286 PolarHBondContact O-N 2.97Å; D284-E286 VanDerWaalsContact OD1-CA 3.3Å; D284-E286 WeakPolarHBondContact OD1-CA 3.31Å; D284-E286 WeakPolarHBondContact OD1-CB 3.43Å; D284-E286 PolarHBondContact OD1-N 3.23Å; D284-N287 PolarHBondContact O-N 2.83Å; D284-N287 PolarHBondContact OD1-N 3.46Å; D284-N287 WeakPolarHBondContact OD2-CB 3.48Å; D284-N287 PolarHBondContact OD2-ND2 3.43Å; D284-A288 PolarHBondContact O-N 2.94Å; D284-A288 VanDerWaalsContact O-N 3.1Å
285	I	92.2	Very high	88.8	Confident	98 Å²	98	53.7 Å²	53.7	50%	0.503	26%	0.264	S	S	.	.	H	α-helix	trans	-69	-27.6	-175	-57.3	179.4	0	0	0	112.6	K289	I285-K289 VanDerWaalsContact O-CB 3.24Å; I285-K289 WeakPolarHBondContact O-CB 3.5Å; I285-K289 PolarHBondContact O-N 3.05Å
286	E	89.4	Confident	90.4	Very high	84 Å²	84	47.2 Å²	47.2	39%	0.393	24%	0.239	S	C	.	.	H	α-helix	trans	-75.1	-37.2	176	-60.5	-146.4	149.7	0	0	111.6	R74 K88 L89 D284 K289 Y290	R74-E286 IonicContact NH1-OE2 3.7Å; K88-E286 IonicContact NZ-OE1 3.48Å; K88-E286 PolarHBondContact NZ-OE1 3.18Å; K88-E286 IonicContact NZ-OE2 2.87Å; L89-E286 WeakPolarHBondContact CD2-OE2 3.46Å; D284-E286 VanDerWaalsContact C-N 3.34Å; D284-E286 PolarHBondContact O-N 2.97Å; D284-E286 VanDerWaalsContact OD1-CA 3.3Å; D284-E286 WeakPolarHBondContact OD1-CA 3.31Å; D284-E286 WeakPolarHBondContact OD1-CB 3.43Å; D284-E286 PolarHBondContact OD1-N 3.23Å; E286-K289 PolarHBondContact O-N 2.85Å; E286-Y290 VanDerWaalsContact O-CB 3.31Å; E286-Y290 WeakPolarHBondContact O-CB 3.17Å; E286-Y290 PolarHBondContact O-N 2.73Å
287	N	89.8	Confident	91.4	Very high	20 Å²	20	44.8 Å²	44.8	11%	0.107	23%	0.231	C	C	.	.	H	α-helix	trans	-68.3	-44.4	174.6	-86.4	-38.1	0	0	0	112.2	Q72 R74 D284 K289 Y290 I291	Q72-N287 PolarHBondContact OE1-ND2 3.02Å; Q72-N287 VanDerWaalsContact OE1-ND2 3.11Å; Q72-N287 PolarHBondContact OE1-OD1 2.83Å; R74-N287 VanDerWaalsContact NH2-CG 3.34Å; R74-N287 PolarHBondContact NH2-OD1 3.03Å; D284-N287 PolarHBondContact O-N 2.83Å; D284-N287 PolarHBondContact OD1-N 3.46Å; D284-N287 WeakPolarHBondContact OD2-CB 3.48Å; D284-N287 PolarHBondContact OD2-ND2 3.43Å; N287-K289 VanDerWaalsContact C-N 3.3Å; N287-K289 PolarHBondContact O-N 3.35Å; N287-Y290 PolarHBondContact O-N 3.42Å; N287-I291 VanDerWaalsContact O-CG1 3.29Å; N287-I291 WeakPolarHBondContact O-CG1 3.17Å; N287-I291 PolarHBondContact O-N 3.16Å
288	A	92.7	Very high	91.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-54	-46.6	171.5	0	0	0	0	0	112.4	H262 I267 T282 D284 S292	H262-A288 HydrophobicContact CB-CB 4.26Å; I267-A288 HydrophobicContact CG1-CB 4.32Å; T282-A288 HydrophobicContact CG2-CB 4.34Å; T282-A288 WeakPolarHBondContact OG1-CB 3.49Å; T282-A288 PolarHBondContact OG1-N 3.25Å; D284-A288 PolarHBondContact O-N 2.94Å; D284-A288 VanDerWaalsContact O-N 3.1Å; A288-S292 WeakPolarHBondContact O-CB 3.47Å; A288-S292 PolarHBondContact O-N 3.02Å
289	K	92.5	Very high	92.1	Very high	82 Å²	82	41.1 Å²	41.1	36%	0.357	21%	0.206	S	C	.	.	H	α-helix	trans	-65.7	-37.7	178.4	174.5	171.7	-86.9	168.1	0	113	H262 I285 E286 N287 R293	H262-K289 VanDerWaalsContact NE2-CE 3.26Å; H262-K289 WeakPolarHBondContact NE2-CE 3.08Å; I285-K289 VanDerWaalsContact O-CB 3.24Å; I285-K289 WeakPolarHBondContact O-CB 3.5Å; I285-K289 PolarHBondContact O-N 3.05Å; E286-K289 PolarHBondContact O-N 2.85Å; N287-K289 VanDerWaalsContact C-N 3.3Å; N287-K289 PolarHBondContact O-N 3.35Å; K289-R293 WeakPolarHBondContact O-CB 3.38Å; K289-R293 WeakPolarHBondContact O-CD 3.31Å; K289-R293 WeakPolarHBondContact O-CG 3.07Å; K289-R293 PolarHBondContact O-N 2.8Å
290	Y	92.4	Very high	92.3	Very high	21 Å²	21	43.8 Å²	43.8	8%	0.082	22%	0.215	C	C	.	.	H	α-helix	trans	-68.1	-48.7	176.4	170.6	-105.5	0	0	0	111.4	R74 W75 F220 E286 N287 R293 L294	R74-Y290 WeakPolarHBondContact CA-OH 3.39Å; R74-Y290 HydrophobicContact CB-CD2 4.43Å; R74-Y290 HydrophobicContact CB-CE2 3.85Å; R74-Y290 HydrophobicContact CG-CD1 4.43Å; R74-Y290 HydrophobicContact CG-CD2 4.31Å; R74-Y290 HydrophobicContact CG-CE1 4.19Å; R74-Y290 HydrophobicContact CG-CE2 4.05Å; R74-Y290 HydrophobicContact CG-CG 4.5Å; W75-Y290 VanDerWaalsContact CD1-OH 3.24Å; W75-Y290 PolarHBondContact N-OH 3.46Å; F220-Y290 AromaticContact CE1-CE1 3.93Å; F220-Y290 HydrophobicContact CE1-CE1 3.93Å; F220-Y290 HydrophobicContact CZ-CE1 4.26Å; E286-Y290 VanDerWaalsContact O-CB 3.31Å; E286-Y290 WeakPolarHBondContact O-CB 3.17Å; E286-Y290 PolarHBondContact O-N 2.73Å; N287-Y290 PolarHBondContact O-N 3.42Å; Y290-R293 PolarHBondContact O-N 3.38Å; Y290-L294 HydrophobicContact CE1-CD2 4.34Å; Y290-L294 PolarHBondContact O-N 3.25Å
291	I	93.7	Very high	92.3	Very high	4 Å²	4	44 Å²	44	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-66.2	-46.5	-176.9	-62.1	163.3	0	0	0	110.7	F220 L232 I267 T282 N287 R293 L294 F295	F220-I291 HydrophobicContact CB-CD1 3.67Å; F220-I291 HydrophobicContact CB-CG1 4.34Å; F220-I291 HydrophobicContact CD1-CD1 3.86Å; F220-I291 HydrophobicContact CD1-CG1 3.83Å; F220-I291 HydrophobicContact CD2-CD1 4.5Å; F220-I291 HydrophobicContact CD2-CG1 4.27Å; F220-I291 HydrophobicContact CD2-CG2 4.25Å; F220-I291 HydrophobicContact CE1-CG1 4.25Å; F220-I291 HydrophobicContact CG-CD1 3.73Å; F220-I291 HydrophobicContact CG-CG1 3.85Å; L232-I291 HydrophobicContact CD2-CG2 4.36Å; I267-I291 HydrophobicContact CD1-CB 3.75Å; I267-I291 HydrophobicContact CD1-CD1 4.05Å; I267-I291 HydrophobicContact CD1-CG2 3.56Å; T282-I291 HydrophobicContact CG2-CD1 4.06Å; N287-I291 VanDerWaalsContact O-CG1 3.29Å; N287-I291 WeakPolarHBondContact O-CG1 3.17Å; N287-I291 PolarHBondContact O-N 3.16Å; I291-R293 VanDerWaalsContact C-N 3.27Å; I291-R293 PolarHBondContact O-N 3Å; I291-L294 PolarHBondContact O-N 3.22Å; I291-F295 HydrophobicContact CG2-CD1 3.79Å; I291-F295 HydrophobicContact CG2-CD2 4.24Å; I291-F295 HydrophobicContact CG2-CE1 3.5Å; I291-F295 VanDerWaalsContact CG2-CE1 3.5Å; I291-F295 HydrophobicContact CG2-CE2 4.01Å; I291-F295 HydrophobicContact CG2-CG 4.18Å; I291-F295 HydrophobicContact CG2-CZ 3.63Å; I291-F295 VanDerWaalsContact O-CB 3.32Å; I291-F295 WeakPolarHBondContact O-CB 3.37Å; I291-F295 VanDerWaalsContact O-CD1 3.27Å; I291-F295 WeakPolarHBondContact O-CD1 3.37Å; I291-F295 WeakPolarHBondContact O-CG 3.43Å; I291-F295 PolarHBondContact O-N 3.08Å
292	S	94	Very high	92.3	Very high	7 Å²	7	41.4 Å²	41.4	5%	0.049	20%	0.204	C	C	.	.	H	α-helix	trans	-55.7	-39.4	174.2	159.5	0	0	0	0	112.4	V260 H262 A288 T296	V260-S292 PolarHBondContact O-OG 3.28Å; H262-S292 PolarHBondContact ND1-OG 2.83Å; A288-S292 WeakPolarHBondContact O-CB 3.47Å; A288-S292 PolarHBondContact O-N 3.02Å; S292-T296 VanDerWaalsContact O-CB 3.28Å; S292-T296 WeakPolarHBondContact O-CB 3.15Å; S292-T296 PolarHBondContact O-N 3.34Å; S292-T296 PolarHBondContact O-OG1 2.91Å
293	R	92.9	Very high	92.1	Very high	93 Å²	93	45.9 Å²	45.9	35%	0.351	22%	0.222	S	C	.	.	H	α-helix	trans	-69.3	-46.8	175.6	-76.4	173.8	176.4	171.3	0.5	113.1	E77 K289 Y290 I291 F295 T296 T297	E77-R293 WeakPolarHBondContact OE1-CD 3.36Å; E77-R293 IonicContact OE1-CZ 2.73Å; E77-R293 IonicContact OE1-NE 2.6Å; E77-R293 IonicContact OE1-NH1 3.63Å; E77-R293 PolarHBondContact OE1-NH1 2.96Å; E77-R293 IonicContact OE2-NH1 2.93Å; E77-R293 PolarHBondContact OE2-NH1 2.82Å; K289-R293 WeakPolarHBondContact O-CB 3.38Å; K289-R293 WeakPolarHBondContact O-CD 3.31Å; K289-R293 WeakPolarHBondContact O-CG 3.07Å; K289-R293 PolarHBondContact O-N 2.8Å; Y290-R293 PolarHBondContact O-N 3.38Å; I291-R293 VanDerWaalsContact C-N 3.27Å; I291-R293 PolarHBondContact O-N 3Å; R293-F295 VanDerWaalsContact C-N 3.29Å; R293-F295 PolarHBondContact O-N 3.35Å; R293-T296 PolarHBondContact O-N 3.4Å; R293-T297 WeakPolarHBondContact O-CB 3.25Å; R293-T297 PolarHBondContact O-N 2.71Å; R293-T297 PolarHBondContact O-OG1 2.75Å
294	L	93.9	Very high	92	Very high	7 Å²	7	47 Å²	47	4%	0.037	22%	0.224	C	C	.	.	H	α-helix	trans	-59	-44.4	177.5	177.8	61.2	0	0	0	110.6	W75 M100 F220 Y290 I291 T297 R298	W75-L294 HydrophobicContact CG-CD1 4.37Å; M100-L294 HydrophobicContact CE-CD1 3.84Å; F220-L294 HydrophobicContact CE2-CD2 3.95Å; F220-L294 HydrophobicContact CZ-CD2 3.6Å; Y290-L294 HydrophobicContact CE1-CD2 4.34Å; Y290-L294 PolarHBondContact O-N 3.25Å; I291-L294 PolarHBondContact O-N 3.22Å; L294-T297 PolarHBondContact O-N 3.44Å; L294-R298 PolarHBondContact O-N 3.24Å
295	F	94.9	Very high	91.9	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-67.8	-43.8	-179.9	-75.1	24.9	0	0	0	111.4	F220 L232 I234 I239 V260 I291 R293 T297 R298 H299	F220-F295 AromaticContact CD2-CE1 3.96Å; F220-F295 HydrophobicContact CD2-CE1 3.96Å; F220-F295 HydrophobicContact CD2-CZ 4.19Å; F220-F295 AromaticContact CE2-CE1 3.85Å; F220-F295 HydrophobicContact CE2-CE1 3.85Å; L232-F295 HydrophobicContact CD1-CE2 4.28Å; L232-F295 HydrophobicContact CD2-CE2 3.67Å; L232-F295 HydrophobicContact CD2-CZ 4.06Å; L232-F295 HydrophobicContact CG-CE2 3.69Å; L232-F295 HydrophobicContact CG-CZ 3.89Å; I234-F295 HydrophobicContact CB-CD1 4.09Å; I234-F295 HydrophobicContact CB-CE1 3.58Å; I234-F295 HydrophobicContact CB-CE2 4.48Å; I234-F295 HydrophobicContact CB-CZ 3.79Å; I234-F295 HydrophobicContact CD1-CB 4.1Å; I234-F295 HydrophobicContact CD1-CD1 3.41Å; I234-F295 VanDerWaalsContact CD1-CD1 3.41Å; I234-F295 HydrophobicContact CD1-CD2 4.43Å; I234-F295 HydrophobicContact CD1-CE1 3.86Å; I234-F295 HydrophobicContact CD1-CG 3.73Å; I234-F295 HydrophobicContact CG1-CD1 4.36Å; I234-F295 HydrophobicContact CG1-CE1 4.34Å; I234-F295 HydrophobicContact CG2-CD1 4.03Å; I234-F295 HydrophobicContact CG2-CE1 3.39Å; I234-F295 HydrophobicContact CG2-CZ 3.98Å; I239-F295 HydrophobicContact CD1-CB 4.48Å; I239-F295 HydrophobicContact CD1-CD2 3.42Å; I239-F295 VanDerWaalsContact CD1-CD2 3.42Å; I239-F295 HydrophobicContact CD1-CE2 3.92Å; I239-F295 HydrophobicContact CD1-CG 4.28Å; I239-F295 HydrophobicContact CG1-CD2 3.79Å; I239-F295 HydrophobicContact CG1-CE2 3.89Å; I239-F295 HydrophobicContact CG2-CD2 4.48Å; I239-F295 HydrophobicContact CG2-CE2 3.87Å; V260-F295 HydrophobicContact CB-CB 4.34Å; V260-F295 HydrophobicContact CG1-CB 3.83Å; V260-F295 HydrophobicContact CG1-CD2 4.11Å; V260-F295 HydrophobicContact CG1-CG 4.46Å; V260-F295 HydrophobicContact CG2-CB 4.43Å; I291-F295 HydrophobicContact CG2-CD1 3.79Å; I291-F295 HydrophobicContact CG2-CD2 4.24Å; I291-F295 HydrophobicContact CG2-CE1 3.5Å; I291-F295 VanDerWaalsContact CG2-CE1 3.5Å; I291-F295 HydrophobicContact CG2-CE2 4.01Å; I291-F295 HydrophobicContact CG2-CG 4.18Å; I291-F295 HydrophobicContact CG2-CZ 3.63Å; I291-F295 VanDerWaalsContact O-CB 3.32Å; I291-F295 WeakPolarHBondContact O-CB 3.37Å; I291-F295 VanDerWaalsContact O-CD1 3.27Å; I291-F295 WeakPolarHBondContact O-CD1 3.37Å; I291-F295 WeakPolarHBondContact O-CG 3.43Å; I291-F295 PolarHBondContact O-N 3.08Å; R293-F295 VanDerWaalsContact C-N 3.29Å; R293-F295 PolarHBondContact O-N 3.35Å; F295-T297 VanDerWaalsContact C-N 3.29Å; F295-T297 PolarHBondContact O-N 2.96Å; F295-R298 PolarHBondContact O-N 2.89Å; F295-H299 VanDerWaalsContact O-CB 3.28Å; F295-H299 WeakPolarHBondContact O-CB 3.44Å; F295-H299 PolarHBondContact O-N 2.98Å
296	T	93.9	Very high	91.4	Very high	65 Å²	65	49.7 Å²	49.7	40%	0.399	23%	0.233	S	C	.	.	H	α-helix	trans	-59.8	-39.9	172.6	-61.7	0	0	0	0	111.8	V260 S292 R293 K300	V260-T296 PolarHBondContact O-OG1 3.33Å; S292-T296 VanDerWaalsContact O-CB 3.28Å; S292-T296 WeakPolarHBondContact O-CB 3.15Å; S292-T296 PolarHBondContact O-N 3.34Å; S292-T296 PolarHBondContact O-OG1 2.91Å; R293-T296 PolarHBondContact O-N 3.4Å; T296-K300 VanDerWaalsContact O-CB 3.28Å; T296-K300 WeakPolarHBondContact O-CB 3.36Å; T296-K300 PolarHBondContact O-N 3.44Å
297	T	93.4	Very high	90.8	Very high	62 Å²	62	46.3 Å²	46.3	38%	0.38	22%	0.217	S	C	.	.	H	α-helix	trans	-67	-45.5	179.7	-55.2	0	0	0	0	111.3	M100 F101 R293 L294 F295 K300 F301	M100-T297 HydrophobicContact CE-CG2 4.3Å; F101-T297 HydrophobicContact CE1-CG2 4.34Å; F101-T297 HydrophobicContact CZ-CG2 4.06Å; R293-T297 WeakPolarHBondContact O-CB 3.25Å; R293-T297 PolarHBondContact O-N 2.71Å; R293-T297 PolarHBondContact O-OG1 2.75Å; L294-T297 PolarHBondContact O-N 3.44Å; F295-T297 VanDerWaalsContact C-N 3.29Å; F295-T297 PolarHBondContact O-N 2.96Å; T297-K300 PolarHBondContact O-N 2.81Å; T297-F301 WeakPolarHBondContact O-CB 3.23Å; T297-F301 PolarHBondContact O-N 2.82Å
298	R	92.8	Very high	89.5	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.015	22%	0.216	C	C	.	.	H	α-helix	trans	-66.1	-43.7	174.4	-83.9	-175.1	175.7	146.5	8.9	112.6	M100 F101 E218 I234 W254 L294 F295 K300 F301 Y302	M100-R298 VanDerWaalsContact O-CZ 3.29Å; M100-R298 PolarHBondContact O-NE 2.96Å; M100-R298 PolarHBondContact O-NH2 3.12Å; F101-R298 HydrophobicContact CD1-CG 3.8Å; F101-R298 HydrophobicContact CE1-CB 4.5Å; F101-R298 HydrophobicContact CE1-CG 3.75Å; E218-R298 IonicContact OE2-CZ 2.66Å; E218-R298 IonicContact OE2-NH1 2.97Å; E218-R298 PolarHBondContact OE2-NH1 3.46Å; E218-R298 IonicContact OE2-NH2 3.42Å; E218-R298 PolarHBondContact OE2-NH2 2.76Å; I234-R298 HydrophobicContact CD1-CB 3.73Å; I234-R298 HydrophobicContact CD1-CG 4.25Å; W254-R298 HydrophobicContact CZ2-CB 4.31Å; L294-R298 PolarHBondContact O-N 3.24Å; F295-R298 PolarHBondContact O-N 2.89Å; R298-K300 PolarHBondContact O-N 2.82Å; R298-F301 PolarHBondContact O-N 2.92Å; R298-Y302 HydrophobicContact CB-CD2 4.18Å; R298-Y302 HydrophobicContact CB-CE2 3.87Å; R298-Y302 HydrophobicContact CG-CE2 4.05Å; R298-Y302 WeakPolarHBondContact O-CD2 3.25Å; R298-Y302 PolarHBondContact O-N 2.98Å
299	H	92.4	Very high	87.8	Confident	16 Å²	16	49.6 Å²	49.6	7%	0.074	24%	0.239	C	C	.	.	H	α-helix	trans	-56	-50	173.8	-176.5	-168.9	0	0	0	111.1	W254 I257 F295 F301 Y302 K303	W254-H299 HydrophobicContact CD2-CB 4.37Å; W254-H299 HydrophobicContact CE3-CB 3.57Å; W254-H299 AromaticContact CE3-CD2 3.67Å; W254-H299 AromaticContact CE3-CG 3.61Å; W254-H299 HydrophobicContact CH2-CB 4.28Å; W254-H299 HydrophobicContact CZ3-CB 3.53Å; W254-H299 AromaticContact CZ3-CG 3.98Å; W254-H299 PolarHBondContact O-NE2 2.81Å; I257-H299 PolarHBondContact O-CE1 3.35Å; F295-H299 VanDerWaalsContact O-CB 3.28Å; F295-H299 WeakPolarHBondContact O-CB 3.44Å; F295-H299 PolarHBondContact O-N 2.98Å; H299-F301 VanDerWaalsContact C-N 3.34Å; H299-F301 PolarHBondContact O-N 2.78Å; H299-Y302 PolarHBondContact O-N 2.88Å; H299-K303 PolarHBondContact NE2-NZ 3.47Å; H299-K303 WeakPolarHBondContact O-CB 3.47Å; H299-K303 PolarHBondContact O-N 3.28Å
300	K	92.1	Very high	85.6	Confident	109 Å²	109	51.7 Å²	51.7	47%	0.474	25%	0.25	S	C	.	.	H	α-helix	trans	-54.8	-48.3	175	178.8	-176	173.7	-169.8	0	111.3	T296 T297 R298 Q304	T296-K300 VanDerWaalsContact O-CB 3.28Å; T296-K300 WeakPolarHBondContact O-CB 3.36Å; T296-K300 PolarHBondContact O-N 3.44Å; T297-K300 PolarHBondContact O-N 2.81Å; R298-K300 PolarHBondContact O-N 2.82Å; K300-Q304 VanDerWaalsContact O-CB 3.28Å; K300-Q304 WeakPolarHBondContact O-CB 3.15Å; K300-Q304 WeakPolarHBondContact O-CG 3.33Å; K300-Q304 PolarHBondContact O-N 2.89Å
301	F	92.8	Very high	83	Confident	18 Å²	18	55.8 Å²	55.8	8%	0.079	28%	0.279	C	S	.	.	H	α-helix	trans	-60.9	-54.8	179.7	179.4	-89.4	0	0	0	113	H60 Y61 F101 T297 R298 H299 K303 Q304 N305 I307	H60-F301 HydrophobicContact CB-CE2 4.3Å; H60-F301 AromaticContact CD2-CE2 3.94Å; H60-F301 VanDerWaalsContact O-CE2 3.27Å; H60-F301 WeakPolarHBondContact O-CE2 3.24Å; Y61-F301 HydrophobicContact CD1-CE1 4.5Å; Y61-F301 AromaticContact CD1-CZ 3.82Å; Y61-F301 HydrophobicContact CD1-CZ 3.82Å; Y61-F301 HydrophobicContact CE1-CE1 4.43Å; Y61-F301 AromaticContact CE1-CZ 3.83Å; Y61-F301 HydrophobicContact CE1-CZ 3.83Å; F101-F301 HydrophobicContact CB-CD1 3.77Å; F101-F301 HydrophobicContact CB-CE1 3.45Å; F101-F301 VanDerWaalsContact CB-CE1 3.45Å; F101-F301 HydrophobicContact CB-CE2 4.27Å; F101-F301 HydrophobicContact CB-CG 4.31Å; F101-F301 HydrophobicContact CB-CZ 3.73Å; F101-F301 HydrophobicContact CD1-CB 3.64Å; F101-F301 AromaticContact CD1-CD1 3.48Å; F101-F301 HydrophobicContact CD1-CD1 3.48Å; F101-F301 VanDerWaalsContact CD1-CD1 3.48Å; F101-F301 AromaticContact CD1-CD2 3.9Å; F101-F301 HydrophobicContact CD1-CD2 3.9Å; F101-F301 HydrophobicContact CD1-CE1 4.09Å; F101-F301 HydrophobicContact CD1-CE2 4.44Å; F101-F301 AromaticContact CD1-CG 3.38Å; F101-F301 HydrophobicContact CD1-CG 3.38Å; F101-F301 HydrophobicContact CD2-CD2 4.07Å; F101-F301 HydrophobicContact CD2-CE2 4.07Å; F101-F301 HydrophobicContact CD2-CG 4.38Å; F101-F301 HydrophobicContact CD2-CZ 4.37Å; F101-F301 HydrophobicContact CE1-CB 3.53Å; F101-F301 HydrophobicContact CE1-CD1 4.26Å; F101-F301 HydrophobicContact CE1-CD2 4.07Å; F101-F301 AromaticContact CE1-CG 3.7Å; F101-F301 HydrophobicContact CE1-CG 3.7Å; F101-F301 HydrophobicContact CE2-CD2 4.24Å; F101-F301 HydrophobicContact CG-CB 4.48Å; F101-F301 AromaticContact CG-CD1 3.72Å; F101-F301 HydrophobicContact CG-CD1 3.72Å; F101-F301 AromaticContact CG-CD2 3.91Å; F101-F301 HydrophobicContact CG-CD2 3.91Å; F101-F301 AromaticContact CG-CE1 3.84Å; F101-F301 HydrophobicContact CG-CE1 3.84Å; F101-F301 HydrophobicContact CG-CE2 4.01Å; F101-F301 AromaticContact CG-CG 3.77Å; F101-F301 HydrophobicContact CG-CG 3.77Å; F101-F301 AromaticContact CG-CZ 3.98Å; F101-F301 HydrophobicContact CG-CZ 3.98Å; F101-F301 HydrophobicContact CZ-CB 4.29Å; F101-F301 HydrophobicContact CZ-CD2 4.24Å; F101-F301 HydrophobicContact CZ-CG 4.33Å; T297-F301 WeakPolarHBondContact O-CB 3.23Å; T297-F301 PolarHBondContact O-N 2.82Å; R298-F301 PolarHBondContact O-N 2.92Å; H299-F301 VanDerWaalsContact C-N 3.34Å; H299-F301 PolarHBondContact O-N 2.78Å; F301-K303 VanDerWaalsContact C-N 3.34Å; F301-K303 PolarHBondContact O-N 3.19Å; F301-Q304 PolarHBondContact O-N 3.28Å; F301-N305 WeakPolarHBondContact CD2-ND2 3.27Å; F301-N305 WeakPolarHBondContact CE2-ND2 3.19Å; F301-N305 WeakPolarHBondContact O-CB 3.48Å; F301-N305 PolarHBondContact O-N 3.43Å; F301-N305 PolarHBondContact O-ND2 3.48Å; F301-I307 HydrophobicContact CD1-CD1 4.28Å; F301-I307 HydrophobicContact CE1-CD1 3.57Å; F301-I307 HydrophobicContact CZ-CD1 4.3Å
302	Y	91.9	Very high	80.1	Confident	3 Å²	3	60.2 Å²	60.2	1%	0.012	31%	0.31	C	S	.	.	H	α-helix	trans	-68.3	-33.8	-175.7	-63.7	-61.5	0	0	0	112.2	F101 Y102 F236 W254 R298 H299 K306 I307	F101-Y302 HydrophobicContact CB-CE1 4.5Å; Y102-Y302 PolarHBondContact N-OH 3.06Å; Y102-Y302 WeakPolarHBondContact O-CE1 3.31Å; Y102-Y302 PolarHBondContact O-OH 3.05Å; F236-Y302 HydrophobicContact CB-CE1 3.89Å; W254-Y302 AromaticContact CD1-CD2 3.9Å; W254-Y302 AromaticContact CE2-CD2 3.71Å; W254-Y302 HydrophobicContact CZ2-CD2 4.09Å; W254-Y302 HydrophobicContact CZ2-CE2 4.39Å; W254-Y302 AromaticContact NE1-CD2 3.17Å; W254-Y302 AromaticContact NE1-CE2 3.91Å; W254-Y302 AromaticContact NE1-CG 3.73Å; R298-Y302 HydrophobicContact CB-CD2 4.18Å; R298-Y302 HydrophobicContact CB-CE2 3.87Å; R298-Y302 HydrophobicContact CG-CE2 4.05Å; R298-Y302 WeakPolarHBondContact O-CD2 3.25Å; R298-Y302 PolarHBondContact O-N 2.98Å; H299-Y302 PolarHBondContact O-N 2.88Å; Y302-K306 PolarHBondContact O-N 2.9Å; Y302-K306 VanDerWaalsContact O-N 3.11Å; Y302-I307 HydrophobicContact CD1-CB 4.1Å; Y302-I307 HydrophobicContact CD1-CD1 3.87Å; Y302-I307 HydrophobicContact CD1-CG2 4.06Å; Y302-I307 HydrophobicContact CE1-CD1 4.34Å; Y302-I307 PolarHBondContact O-N 2.56Å
303	K	87.9	Confident	77.2	Confident	103 Å²	103	67.6 Å²	67.6	45%	0.448	35%	0.349	S	S	.	.	H	α-helix	trans	-70.6	-37.7	175.9	-162.8	172.3	-148.9	140.3	0	112.6	H299 F301	H299-K303 PolarHBondContact NE2-NZ 3.47Å; H299-K303 WeakPolarHBondContact O-CB 3.47Å; H299-K303 PolarHBondContact O-N 3.28Å; F301-K303 VanDerWaalsContact C-N 3.34Å; F301-K303 PolarHBondContact O-N 3.19Å
304	Q	87.9	Confident	74.3	Confident	134 Å²	134	66.7 Å²	66.7	63%	0.626	36%	0.357	S	S	*	.	H	α-helix	trans	-70.7	-41.6	175.7	-75.7	-179.6	-33.4	0	0	112.4	K300 F301 K306	K300-Q304 VanDerWaalsContact O-CB 3.28Å; K300-Q304 WeakPolarHBondContact O-CB 3.15Å; K300-Q304 WeakPolarHBondContact O-CG 3.33Å; K300-Q304 PolarHBondContact O-N 2.89Å; F301-Q304 PolarHBondContact O-N 3.28Å; Q304-K306 VanDerWaalsContact C-N 3.35Å
305	N	85.2	Confident	71.4	Confident	67 Å²	67	71.9 Å²	71.9	36%	0.358	39%	0.391	S	S	.	.	H	α-helix	trans	-85.7	-1.1	-177.7	-67.3	-64.3	0	0	0	114.4	F301 I307	F301-N305 WeakPolarHBondContact CD2-ND2 3.27Å; F301-N305 WeakPolarHBondContact CE2-ND2 3.19Å; F301-N305 WeakPolarHBondContact O-CB 3.48Å; F301-N305 PolarHBondContact O-N 3.43Å; F301-N305 PolarHBondContact O-ND2 3.48Å; N305-I307 HydrophobicContact CB-CD1 3.65Å; N305-I307 HydrophobicContact CB-CG1 3.82Å; N305-I307 PolarHBondContact O-N 3.21Å; N305-I307 VanDerWaalsContact O-N 3.14Å
306	K	83.1	Confident	68.6	Low	144 Å²	144	76.8 Å²	76.8	63%	0.626	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	24.5	179.8	-59.4	-173.5	179.6	-176.2	0	115.1	Y302 Q304 C308 T309	Y302-K306 PolarHBondContact O-N 2.9Å; Y302-K306 VanDerWaalsContact O-N 3.11Å; Q304-K306 VanDerWaalsContact C-N 3.35Å; K306-C308 PolarHBondContact O-N 3.33Å; K306-C308 VanDerWaalsContact O-N 3.09Å; K306-T309 PolarHBondContact O-N 3.2Å; K306-T309 PolarHBondContact O-OG1 3.37Å
307	I	77.3	Confident	65.7	Low	12 Å²	12	79.6 Å²	79.6	6%	0.062	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.3	-178	-67.5	166.1	0	0	0	111.9	P104 W108 F301 Y302 N305	P104-I307 HydrophobicContact CG-CG2 3.74Å; W108-I307 HydrophobicContact CD2-CG1 4.34Å; W108-I307 HydrophobicContact CE3-CG1 3.91Å; W108-I307 HydrophobicContact CH2-CB 4.32Å; W108-I307 HydrophobicContact CH2-CG1 3.79Å; W108-I307 HydrophobicContact CZ2-CB 4.47Å; W108-I307 HydrophobicContact CZ2-CG1 4.23Å; W108-I307 HydrophobicContact CZ3-CG1 3.61Å; F301-I307 HydrophobicContact CD1-CD1 4.28Å; F301-I307 HydrophobicContact CE1-CD1 3.57Å; F301-I307 HydrophobicContact CZ-CD1 4.3Å; Y302-I307 HydrophobicContact CD1-CB 4.1Å; Y302-I307 HydrophobicContact CD1-CD1 3.87Å; Y302-I307 HydrophobicContact CD1-CG2 4.06Å; Y302-I307 HydrophobicContact CE1-CD1 4.34Å; Y302-I307 PolarHBondContact O-N 2.56Å; N305-I307 HydrophobicContact CB-CD1 3.65Å; N305-I307 HydrophobicContact CB-CG1 3.82Å; N305-I307 PolarHBondContact O-N 3.21Å; N305-I307 VanDerWaalsContact O-N 3.14Å
308	C	61.9	Low	62.9	Low	11 Å²	11	84.3 Å²	84.3	7%	0.074	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126	11.9	-170.6	-49	0	0	0	0	113.8	F236 M237 N255 K306 E310	F236-C308 PolarHBondContact O-SG 3.2Å; M237-C308 HydrophobicContact CE-CB 3.65Å; M237-C308 VanDerWaalsContact CE-SG 3.53Å; N255-C308 PolarHBondContact ND2-O 2.61Å; K306-C308 PolarHBondContact O-N 3.33Å; K306-C308 VanDerWaalsContact O-N 3.09Å; C308-E310 PolarHBondContact O-N 2.9Å
309	T	55.8	Low	59.8	Low	79 Å²	79	95.6 Å²	95.6	49%	0.485	51%	0.506	S	S	.	.			trans	-83.5	106.4	166	53.9	0	0	0	0	108.1	K306	K306-T309 PolarHBondContact O-N 3.2Å; K306-T309 PolarHBondContact O-OG1 3.37Å
310	E	46.6	Very low	56.8	Low	126 Å²	126	105.3 Å²	105.3	59%	0.589	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-55.1	142.6	167.3	-73.4	-176.9	-138.8	0	0	109.4	R253 C308 S312	R253-E310 IonicContact NH1-OE1 3.97Å; R253-E310 PolarHBondContact NH1-OE1 2.84Å; C308-E310 PolarHBondContact O-N 2.9Å; E310-S312 PolarHBondContact O-N 2.76Å
311	P	39.2	Very low	53.8	Low	107 Å²	107	109.1 Å²	109.1	70%	0.695	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-60.5	125.4	166.1	27.9	-32.8	0	0	0	107.7	N313	P311-N313 PolarHBondContact O-N 2.86Å
312	S	31.1	Very low	50.8	Low	97 Å²	97	113.9 Å²	113.9	68%	0.678	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-57.3	116.9	179.3	54.5	0	0	0	0	109.8	E310 S314	E310-S312 PolarHBondContact O-N 2.76Å; S312-S314 PolarHBondContact O-N 3.18Å
313	N	33.5	Very low	47.6	Very low	161 Å²	161	118.4 Å²	118.4	86%	0.861	62%	0.622	S	S	*	*			trans	-73	55.2	175.3	-84.7	-46.2	0	0	0	112	P311	P311-N313 PolarHBondContact O-N 2.86Å
314	S	31.8	Very low	44.7	Very low	74 Å²	74	124.9 Å²	124.9	52%	0.517	64%	0.644	S	S	.	*	S	Bend	trans	-97.3	133.7	155.1	56	0	0	0	0	107.6	S312	S312-S314 PolarHBondContact O-N 3.18Å
315	P	34.8	Very low	41.8	Very low	117 Å²	117	123.6 Å²	123.6	76%	0.76	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-60	129.7	176.1	25.7	-33.5	0	0	0	109.4
316	P	35.8	Very low	39	Very low	103 Å²	103	131.3 Å²	131.3	67%	0.669	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-61.8	132.7	178.8	25.4	-33.5	0	0	0	109	I318	P316-I318 PolarHBondContact O-N 3.45Å
317	P	33.1	Very low	36.2	Very low	125 Å²	125	129.5 Å²	129.5	81%	0.812	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-59.2	117.8	179	23.4	-32.8	0	0	0	108.9	R319	P317-R319 VanDerWaalsContact C-N 3.33Å; P317-R319 PolarHBondContact O-N 3.35Å
318	I	33.5	Very low	33.6	Very low	161 Å²	161	134.1 Å²	134.1	83%	0.826	71%	0.713	S	S	*	*			trans	-67.5	86.6	-164.3	-56	175.5	0	0	0	110.7	P316	P316-I318 PolarHBondContact O-N 3.45Å
319	R	28.3	Very low	31.9	Very low	240 Å²	240	141.6 Å²	141.6	91%	0.906	75%	0.752	S	S	*	*			trans	-97.1	92.8	169.1	-156.7	169.5	-164.5	172.3	5.7	109.7	P317 Q321	P317-R319 VanDerWaalsContact C-N 3.33Å; P317-R319 PolarHBondContact O-N 3.35Å; R319-Q321 PolarHBondContact O-N 2.88Å
320	R	28.7	Very low	30.9	Very low	220 Å²	220	143 Å²	143	83%	0.83	76%	0.762	S	S	*	*			trans	-42.6	121.4	179.1	-57.4	173.8	-176.4	175.9	-0.7	111.5	P322	R320-P322 WeakPolarHBondContact O-CD 3.29Å
321	Q	29.5	Very low	29.9	Very low	190 Å²	190	148.1 Å²	148.1	89%	0.888	78%	0.776	S	S	*	*			trans	-78.5	133.5	153	-75.4	-174	-11.7	0	0	108.8	R319	R319-Q321 PolarHBondContact O-N 2.88Å
322	P	29.2	Very low	29.1	Very low	117 Å²	117	151.3 Å²	151.3	76%	0.76	78%	0.781	S	S	*	*			trans	-94.4	127.5	149	-13.2	31.2	0	0	0	110.6	R320	R320-P322 WeakPolarHBondContact O-CD 3.29Å
323	T	26.3	Very low	28.7	Very low	98 Å²	98	155.1 Å²	155.1	60%	0.601	79%	0.788	S	S	*	*			trans	-46	164.2	150.4	35.7	0	0	0	0	113
324	W	26.7	Very low	28.8	Very low	240 Å²	240	152.4 Å²	152.4	91%	0.909	78%	0.78	S	S	*	*			cis	-155	-166.2	15.1	-118.8	-37.3	0	0	0	112.4
325	S	26.2	Very low	28.4	Very low	107 Å²	107	159.4 Å²	159.4	75%	0.748	80%	0.796	S	S	*	*			trans	-85.4	137.6	-167.7	-49.3	0	0	0	0	116.8
326	R	26.2	Very low	28	Very low	228 Å²	228	161.2 Å²	161.2	86%	0.86	80%	0.798	S	S	*	*			trans	81.8	130.7	140.9	-155	-177.3	-122.3	-100.9	2.8	120.6
327	S	24.2	Very low	27.5	Very low	106 Å²	106	163.3 Å²	163.3	74%	0.741	80%	0.803	S	S	*	*			trans	103.6	135.1	149.8	72	0	0	0	0	122
328	S	23.7	Very low	27.6	Very low	109 Å²	109	162.6 Å²	162.6	76%	0.762	80%	0.798	S	S	*	*			trans	57.3	106.6	159.9	38.3	0	0	0	0	123
329	L	24.9	Very low	28	Very low	169 Å²	169	159.6 Å²	159.6	89%	0.885	79%	0.789	S	S	*	*				16.1	156.5	124.2	-73.2	169.5	0	0	0	121.7
330	P	35.8	Very low	27.7	Very low	107 Å²	107	155.5 Å²	155.5	70%	0.695	78%	0.782	S	S	*	*			cis	-138	171.5	-4.2	41.2	-24.1	0	0	0	117
331	R	24.6	Very low	27.7	Very low	234 Å²	234	152.2 Å²	152.2	88%	0.883	78%	0.776	S	S	*	*			trans	42.6	137.1	147.4	-100.6	-177	175.3	-177.4	-2	120.4
332	Q	23.5	Very low	27.6	Very low	175 Å²	175	148.3 Å²	148.3	82%	0.818	77%	0.765	S	S	*	*			cis	-152.4	-177.9	35.1	-66.6	-161	28.3	0	0	114.5
333	Q	23.4	Very low	27.4	Very low	176 Å²	176	150 Å²	150	82%	0.822	76%	0.763	S	S	*	*			trans	-71.6	175.4	166	-83.9	175.9	-28.5	0	0	112.8
334	P	34.1	Very low	27.3	Very low	105 Å²	105	149.7 Å²	149.7	68%	0.682	76%	0.764	S	S	*	*			cis	-140.3	158.2	20	40.1	-20.7	0	0	0	120.2
335	Y	24.6	Very low	27.1	Very low	221 Å²	221	142.5 Å²	142.5	87%	0.867	75%	0.751	S	S	*	*			trans	65.3	178.3	153.3	-70.9	-174.6	0	0	0	116.4
336	I	25.7	Very low	27.1	Very low	155 Å²	155	144.2 Å²	144.2	80%	0.795	75%	0.747	S	S	*	*			cis	-140.2	-139.5	11.5	-158.1	162.3	0	0	0	114.1
337	L	25.6	Very low	27.2	Very low	146 Å²	146	141.2 Å²	141.2	76%	0.764	74%	0.742	S	S	*	*			trans	-151.7	171.7	-167.6	-82.5	166.2	0	0	0	108.3
338	P	34.1	Very low	27.3	Very low	111 Å²	111	144.2 Å²	144.2	72%	0.721	74%	0.738	S	S	*	*			cis	-125.4	-122	-45.4	32.3	-10.1	0	0	0	112.3
339	P	42.2	Very low	27.5	Very low	98 Å²	98	142.8 Å²	142.8	64%	0.636	73%	0.729	S	S	*	*				-128.7	-161	-97.5	37.4	-16.1	0	0	0	116.4
340	M	23.5	Very low	27.5	Very low	153 Å²	153	141.7 Å²	141.7	75%	0.754	72%	0.719	S	S	*	*			trans	89	137.9	167.6	-55.2	-68.2	96.4	0	0	116
341	H	27.6	Very low	27.1	Very low	151 Å²	151	141.3 Å²	141.3	70%	0.699	72%	0.715	S	S	*	*			cis	67.6	135.3	41.8	-120.3	53	0	0	0	110.4
342	V	27.1	Very low	27.3	Very low	108 Å²	108	138 Å²	138	66%	0.655	71%	0.709	S	S	*	*			cis	-140.4	171	34.3	170.9	0	0	0	0	111.4
343	Q	25.2	Very low	27.4	Very low	154 Å²	154	135.8 Å²	135.8	72%	0.72	71%	0.707	S	S	*	*			trans	-40.6	-178.2	156.6	-54.3	151.1	-59.5	0	0	114.1
344	S	24.5	Very low	27.6	Very low	90 Å²	90	132.1 Å²	132.1	63%	0.629	70%	0.702	S	S	*	*			cis	-163	172.6	31.3	-44.6	0	0	0	0	113.2
345	S	23.1	Very low	27.3	Very low	90 Å²	90	136 Å²	136	63%	0.629	71%	0.711	S	S	*	*				47.2	149	126.4	-61.6	0	0	0	0	122.1
346	E	25.3	Very low	27.3	Very low	143 Å²	143	132.3 Å²	132.3	67%	0.668	71%	0.706	S	S	*	*			cis	-170.5	175.5	3.2	-125.5	140.5	-134.9	0	0	113
347	H	28.4	Very low	27.4	Very low	164 Å²	164	130.4 Å²	130.4	76%	0.759	71%	0.706	S	S	*	*			trans	64.4	149.8	154.8	-61.2	-40.7	0	0	0	119.5
348	Y	27.6	Very low	27.5	Very low	169 Å²	169	131 Å²	131	66%	0.663	71%	0.708	S	S	*	*			cis	-122.3	-137.3	4.3	-177.5	-115.3	0	0	0	112.4	E350	Y348-E350 HydrophobicContact CE1-CB 4.44Å; Y348-E350 HydrophobicContact CE1-CG 4.33Å; Y348-E350 WeakPolarHBondContact CE1-OE2 3.27Å; Y348-E350 PolarHBondContact OH-OE2 3.05Å
349	S	26.8	Very low	27	Very low	80 Å²	80	135.1 Å²	135.1	56%	0.559	72%	0.715	S	S	*	*			trans	-154.6	-177	-152.8	-52.3	0	0	0	0	112.8
350	E	25.1	Very low	26.9	Very low	146 Å²	146	136.2 Å²	136.2	68%	0.682	72%	0.723	S	S	*	*			trans	75	143.6	163.2	-62.5	-177.8	135.6	0	0	117	Y348	Y348-E350 HydrophobicContact CE1-CB 4.44Å; Y348-E350 HydrophobicContact CE1-CG 4.33Å; Y348-E350 WeakPolarHBondContact CE1-OE2 3.27Å; Y348-E350 PolarHBondContact OH-OE2 3.05Å
351	T	28.2	Very low	27	Very low	98 Å²	98	132 Å²	132	60%	0.601	72%	0.719	S	S	*	*			cis	-159.8	157.6	2.1	2.8	0	0	0	0	111.9
352	H	27.1	Very low	26.9	Very low	164 Å²	164	131.5 Å²	131.5	76%	0.759	72%	0.721	S	S	*	*			trans	63.8	155.2	155.7	-58.9	-43	0	0	0	118.3
353	T	26.8	Very low	26.9	Very low	129 Å²	129	133.5 Å²	133.5	79%	0.791	72%	0.723	S	S	*	*			cis	-154.6	168.4	-8.6	6.5	0	0	0	0	111.2
354	S	27.2	Very low	26.9	Very low	100 Å²	100	134.6 Å²	134.6	70%	0.699	73%	0.728	S	S	*	*			trans	-68.6	151.8	-179.6	52.9	0	0	0	0	117.5
355	Q	27.8	Very low	27	Very low	186 Å²	186	134.1 Å²	134.1	87%	0.869	73%	0.73	S	S	*	*				-175.4	163.4	113.9	-104.9	179.9	-16	0	0	114.6
356	D	25.1	Very low	27.1	Very low	144 Å²	144	137.2 Å²	137.2	77%	0.77	74%	0.738	S	S	*	*			trans	-82	160.7	-174.1	-48	-98.8	0	0	0	115.4
357	S	26.7	Very low	27.2	Very low	114 Å²	114	140 Å²	140	80%	0.797	74%	0.744	S	S	*	*				-179.8	108.7	127.7	-80.9	0	0	0	0	115.6
358	I	27.7	Very low	27	Very low	159 Å²	159	136.8 Å²	136.8	82%	0.815	74%	0.739	S	S	*	*				32.2	137.5	127.5	-47	-180	0	0	0	121.5
359	F	24.8	Very low	26.9	Very low	197 Å²	197	135.5 Å²	135.5	86%	0.864	74%	0.744	S	S	*	*			trans	-44.4	-178.3	160.1	-70.6	-94.4	0	0	0	116.9
360	P	39.3	Very low	27	Very low	122 Å²	122	135.7 Å²	135.7	79%	0.792	75%	0.745	S	S	*	*			cis	-118.8	-167.6	-8.8	15.8	11.1	0	0	0	111.4
361	G	26.6	Very low	27.1	Very low	65 Å²	65	137.3 Å²	137.3	67%	0.67	75%	0.752	S	S	*	*			cis	114.5	85.4	4.4	0	0	0	0	0	113.5
362	N	24	Very low	27	Very low	139 Å²	139	139.2 Å²	139.2	74%	0.743	76%	0.759	S	S	*	*			trans	-175.8	154	169.5	-122.2	35.9	0	0	0	107.9
363	E	27.1	Very low	27.1	Very low	150 Å²	150	136.5 Å²	136.5	70%	0.701	76%	0.758	S	S	*	*			cis	-161.6	170.2	-19.6	-140	173.6	172.6	0	0	109.1
364	E	26.3	Very low	27.2	Very low	178 Å²	178	137.1 Å²	137.1	83%	0.832	76%	0.756	S	S	*	*			trans	64.8	149.4	156.4	-65.2	-160.9	125.8	0	0	124.8
365	A	25.5	Very low	27.2	Very low	79 Å²	79	138.2 Å²	138.2	65%	0.653	75%	0.754	S	S	*	*			trans	82.6	100.8	138.6	0	0	0	0	0	124.8
366	L	26.6	Very low	27.1	Very low	155 Å²	155	135.6 Å²	135.6	81%	0.812	75%	0.745	S	S	*	*				64.9	126.4	116.9	-60.8	169.4	0	0	0	123.4
367	Y	26.4	Very low	27.1	Very low	202 Å²	202	134.3 Å²	134.3	79%	0.792	74%	0.738	S	S	*	*			trans	82.9	108.7	133.7	-90.8	-119.3	0	0	0	123.5
368	C	25.1	Very low	27	Very low	96 Å²	96	138 Å²	138	65%	0.649	74%	0.736	S	S	*	*				79.1	150.8	124.6	-75.2	0	0	0	0	124
369	N	25	Very low	27	Very low	143 Å²	143	136.7 Å²	136.7	77%	0.765	73%	0.73	S	S	*	*			trans	59.8	102.7	159.1	-66.8	3.1	0	0	0	117.7
370	S	28.9	Very low	27	Very low	84 Å²	84	134.7 Å²	134.7	59%	0.587	73%	0.728	S	S	*	*				74.1	129	67.6	76.6	0	0	0	0	115
371	H	26.9	Very low	26.3	Very low	179 Å²	179	132.2 Å²	132.2	83%	0.829	73%	0.725	S	S	*	*				-161.3	164.9	119.9	-107.5	-69.1	0	0	0	112.3
372	N	27	Very low	26.2	Very low	139 Å²	139	135.3 Å²	135.3	74%	0.743	73%	0.731	S	S	*	*			trans	-83.3	-177.6	-166.9	-57.9	-38.6	0	0	0	114
373	S	29	Very low	26.2	Very low	107 Å²	107	134.3 Å²	134.3	75%	0.748	73%	0.73	S	S	*	*			trans	101.6	145.4	136.4	80.3	0	0	0	0	118.6
374	L	28.7	Very low	26.1	Very low	142 Å²	142	132.5 Å²	132.5	74%	0.743	73%	0.729	S	S	*	*			cis	-162.7	167.9	-19.5	-110.2	177.3	0	0	0	109.8
375	D	26.1	Very low	26.1	Very low	122 Å²	122	131.7 Å²	131.7	65%	0.652	73%	0.731	S	S	*	*			trans	69.4	129.1	140.4	-72.9	-21.5	0	0	0	126
376	L	26.2	Very low	26	Very low	132 Å²	132	131.4 Å²	131.4	69%	0.691	74%	0.735	S	S	*	*			trans	74.8	106.9	130.7	-90.1	74.8	0	0	0	124.2
377	N	25.9	Very low	26.1	Very low	116 Å²	116	129.6 Å²	129.6	62%	0.62	74%	0.735	S	S	*	*				75.1	131.6	108.4	-82.1	-5	0	0	0	124.9
378	Y	24.3	Very low	26	Very low	191 Å²	191	125.9 Å²	125.9	75%	0.749	73%	0.733	S	S	*	*			trans	84	123.2	132.1	-77.6	-45.7	0	0	0	124.3
379	L	27.1	Very low	26	Very low	132 Å²	132	126.9 Å²	126.9	69%	0.691	74%	0.74	S	S	*	*			trans	74.2	120.4	132.2	-77.3	162.1	0	0	0	123.2
380	N	25.3	Very low	26	Very low	156 Å²	156	124.3 Å²	124.3	83%	0.834	73%	0.733	S	S	*	*			trans	43.8	133.3	131.5	-70.3	1.7	0	0	0	123
381	G	23.9	Very low	25.8	Very low	70 Å²	70	125.8 Å²	125.8	72%	0.722	74%	0.739	S	S	*	*			trans	143.2	82.8	170.6	0	0	0	0	0	110.6
382	T	25.4	Very low	25.7	Very low	129 Å²	129	124.9 Å²	124.9	79%	0.791	73%	0.734	S	S	*	*				68.7	131.6	58.9	-31.4	0	0	0	0	114
383	V	24.5	Very low	25.9	Very low	119 Å²	119	122.7 Å²	122.7	72%	0.721	73%	0.73	S	S	*	*			trans	97.4	125.6	159.5	-164	0	0	0	0	119.9
384	T	24	Very low	25.8	Very low	111 Å²	111	124.4 Å²	124.4	68%	0.681	73%	0.729	S	S	*	*			trans	68	123.2	154	49.1	0	0	0	0	126.7
385	N	25.7	Very low	25.8	Very low	162 Å²	162	124.5 Å²	124.5	87%	0.866	73%	0.731	S	S	*	*				46.9	145.5	115.4	-55.6	-3	0	0	0	124.5
386	G	24.5	Very low	25.9	Very low	72 Å²	72	122.8 Å²	122.8	74%	0.742	73%	0.728	S	S	*	*			trans	111	107.6	164.9	0	0	0	0	0	112.6
387	S	27.7	Very low	26.1	Very low	118 Å²	118	124.5 Å²	124.5	83%	0.825	74%	0.737	S	S	*	*			cis	83.2	147.5	20.4	-156.2	0	0	0	0	116.5
388	V	25.7	Very low	26.1	Very low	124 Å²	124	124.2 Å²	124.2	75%	0.752	74%	0.744	S	S	*	*			trans	94.4	119.2	163.3	-171.9	0	0	0	0	118.9
389	C	24.5	Very low	26.2	Very low	116 Å²	116	120.6 Å²	120.6	78%	0.784	75%	0.745	S	S	*	*			trans	72.3	154.1	153	-75.8	0	0	0	0	122
390	S	25.6	Very low	26.2	Very low	89 Å²	89	119.4 Å²	119.4	62%	0.622	75%	0.748	S	S	*	*			cis	178.7	157.7	-19.4	55.7	0	0	0	0	113.8
391	V	24	Very low	26.5	Very low	116 Å²	116	119 Å²	119	70%	0.703	74%	0.741	S	S	*	*			trans	64.1	139.3	133.9	159.7	0	0	0	0	118.9
392	H	25.2	Very low	26.6	Very low	159 Å²	159	120.4 Å²	120.4	74%	0.736	74%	0.74	S	S	*	*			cis	-167	152.2	-2.5	-113	-3.2	0	0	0	112.2
393	S	29.6	Very low	26.7	Very low	94 Å²	94	122 Å²	122	66%	0.657	74%	0.736	S	S	*	*			trans	56.7	171.1	134.8	-49.9	0	0	0	0	121.5
394	I	28.3	Very low	26.9	Very low	142 Å²	142	124 Å²	124	73%	0.728	74%	0.741	S	S	*	*			cis	-153.1	157.6	6.3	-2.5	175.8	0	0	0	112
395	N	28.6	Very low	26.9	Very low	145 Å²	145	127 Å²	127	78%	0.775	75%	0.748	S	S	*	*			trans	66.1	154	145.1	-73.2	-4.1	0	0	0	122.5
396	S	28.3	Very low	26.9	Very low	86 Å²	86	123.7 Å²	123.7	60%	0.601	74%	0.743	S	S	*	*			cis	-174.2	138.7	-18	52.5	0	0	0	0	114.9
397	L	29.4	Very low	27	Very low	167 Å²	167	125.6 Å²	125.6	87%	0.874	75%	0.745	S	S	*	*			trans	60.6	148.3	147.5	-57.8	170.1	0	0	0	119.2
398	S	25.9	Very low	27.7	Very low	110 Å²	110	125.3 Å²	125.3	77%	0.769	74%	0.74	S	S	*	*			cis	-153.7	141.2	36	44.6	0	0	0	0	111.1
399	C	27.4	Very low	27.7	Very low	115 Å²	115	125.6 Å²	125.6	78%	0.777	74%	0.742	S	S	*	*				81.7	135.4	76.5	-137.5	0	0	0	0	113
400	S	26.9	Very low	27.8	Very low	108 Å²	108	124.8 Å²	124.8	76%	0.755	74%	0.738	S	S	*	*			cis	-135.5	-104	34.2	63.8	0	0	0	0	119.1
401	Q	30.5	Very low	27.8	Very low	146 Å²	146	125.4 Å²	125.4	68%	0.682	74%	0.742	S	S	*	*			trans	-146.7	-176.8	-145.8	-65.8	-177.9	-2.5	0	0	111.7	F403	Q401-F403 HydrophobicContact CG-CE2 4.37Å
402	S	27.6	Very low	28	Very low	100 Å²	100	126.4 Å²	126.4	70%	0.699	74%	0.743	S	S	*	*			cis	-158.5	131.4	23.3	41.4	0	0	0	0	116.5
403	F	27.7	Very low	28	Very low	162 Å²	162	126.4 Å²	126.4	71%	0.711	75%	0.748	S	S	*	*			trans	49.9	156.6	135.4	-63	-73.2	0	0	0	122.5	Q401	Q401-F403 HydrophobicContact CG-CE2 4.37Å
404	I	27.8	Very low	27.8	Very low	161 Å²	161	127.8 Å²	127.8	83%	0.826	76%	0.758	S	S	*	*			cis	-135.2	167.8	23	-61.7	166.7	0	0	0	112.1
405	Q	24.8	Very low	28.1	Very low	176 Å²	176	128.7 Å²	128.7	82%	0.822	76%	0.762	S	S	*	*			trans	-67.2	179.2	172	-59	168.7	-87.8	0	0	113.2
406	A	25.5	Very low	28.5	Very low	92 Å²	92	127.6 Å²	127.6	76%	0.76	76%	0.763	S	S	*	*			cis	-155.8	-178.1	18	0	0	0	0	0	114
407	S	25.8	Very low	28.4	Very low	111 Å²	111	126.6 Å²	126.6	78%	0.776	77%	0.766	S	S	*	*			trans	-88.4	-176.3	171.5	-42.8	0	0	0	0	111.5
408	P	43.3	Very low	28.3	Very low	113 Å²	113	124.1 Å²	124.1	73%	0.734	76%	0.762	S	S	*	*			cis	-147	-179.2	9.6	38.5	-14.4	0	0	0	119.5
409	V	25.8	Very low	28.4	Very low	130 Å²	130	125.7 Å²	125.7	79%	0.788	76%	0.762	S	S	*	*			trans	69.3	142.6	159.7	-135	0	0	0	0	122.7
410	S	26.7	Very low	28.5	Very low	99 Å²	99	125.9 Å²	125.9	69%	0.692	76%	0.755	S	S	*	*			trans	93.8	93.6	143.4	66.5	0	0	0	0	122.7
411	S	25.5	Very low	28.5	Very low	101 Å²	101	129.6 Å²	129.6	71%	0.706	76%	0.762	S	S	*	*				57.8	136	122.1	65.3	0	0	0	0	124.8
412	N	26.8	Very low	28.4	Very low	138 Å²	138	133.8 Å²	133.8	74%	0.738	77%	0.772	S	S	*	*			trans	93.5	109	145.1	-63.3	-22.1	0	0	0	121.7
413	L	26.6	Very low	28.4	Very low	159 Å²	159	133.3 Å²	133.3	83%	0.832	77%	0.773	S	S	*	*				41.8	117.1	123	-64.4	163.8	0	0	0	120.3
414	S	25	Very low	28.4	Very low	123 Å²	123	133.3 Å²	133.3	86%	0.86	78%	0.781	S	S	*	*				-174.5	169.3	111.7	35.1	0	0	0	0	114
415	I	34.7	Very low	28.5	Very low	161 Å²	161	135.7 Å²	135.7	83%	0.826	78%	0.781	S	S	*	*			trans	-118.6	149.2	-179	-70.7	164.7	0	0	0	104.9
416	P	36.1	Very low	28.9	Very low	122 Å²	122	134.9 Å²	134.9	79%	0.792	78%	0.781	S	S	*	*			cis	-143.9	167	38.4	27.2	-1.5	0	0	0	119.7
417	G	26.9	Very low	29.2	Very low	64 Å²	64	135.6 Å²	135.6	66%	0.66	78%	0.777	S	S	*	*				61.8	129.3	119.5	0	0	0	0	0	124.7
418	S	26.9	Very low	29.5	Very low	115 Å²	115	135.2 Å²	135.2	80%	0.804	78%	0.775	S	S	*	*			trans	72.6	144.6	152.3	78.8	0	0	0	0	118.2
419	D	27.1	Very low	29.2	Very low	143 Å²	143	139 Å²	139	77%	0.765	78%	0.782	S	S	*	*			cis	-159	170.3	-15.6	-134.3	-39.1	0	0	0	113.8
420	I	29.7	Very low	29.5	Very low	120 Å²	120	142.8 Å²	142.8	62%	0.615	78%	0.783	S	S	*	*			trans	56.7	113.7	156.7	-60.4	159.6	0	0	0	119.4
421	M	28.3	Very low	29.9	Very low	185 Å²	185	145.9 Å²	145.9	91%	0.911	79%	0.785	S	S	*	*				-156	155.8	111.9	-94.4	-53.6	159.8	0	0	110
422	R	28.1	Very low	30.1	Very low	235 Å²	235	146.4 Å²	146.4	89%	0.887	79%	0.789	S	S	*	*			trans	-121.7	149.8	-168.9	-82.7	-173	170.6	100.9	-3.1	114.2
423	A	26.5	Very low	30.3	Very low	89 Å²	89	146.3 Å²	146.3	74%	0.736	79%	0.794	S	S	*	*			trans	-150.7	138.4	136.5	0	0	0	0	0	111.4
424	D	27.5	Very low	30.5	Very low	162 Å²	162	146.4 Å²	146.4	87%	0.866	79%	0.793	S	S	*	*			trans	43.6	91.4	152.4	-54.9	-16.8	0	0	0	122.2
425	Y	31.1	Very low	30.9	Very low	212 Å²	212	148.2 Å²	148.2	83%	0.831	79%	0.792	S	S	*	*			trans	-151.8	138.3	139.2	-161.3	-100.4	0	0	0	111.2	P427	Y425-P427 HydrophobicContact CD1-CB 4.42Å; Y425-P427 HydrophobicContact CE1-CB 4.4Å
426	I	32.4	Very low	30.7	Very low	158 Å²	158	146.3 Å²	146.3	81%	0.81	79%	0.787	S	S	*	*			trans	-114.1	108.3	176.8	-60.7	178.6	0	0	0	109.4
427	P	32.2	Very low	30.6	Very low	107 Å²	107	146.1 Å²	146.1	70%	0.695	79%	0.786	S	S	*	*			trans	-94	127.7	178.3	33.8	-30.9	0	0	0	112.3	Y425	Y425-P427 HydrophobicContact CD1-CB 4.42Å; Y425-P427 HydrophobicContact CE1-CB 4.4Å
428	S	31.4	Very low	30.8	Very low	103 Å²	103	148.9 Å²	148.9	72%	0.72	80%	0.795	S	S	*	*			trans	-122.9	71.7	175.7	64.7	0	0	0	0	112.9
429	H	37.6	Very low	31	Very low	192 Å²	192	154.3 Å²	154.3	89%	0.889	80%	0.8	S	S	*	*			trans	-153.1	137.1	155.4	-101.1	-70.7	0	0	0	112.5
430	R	31.7	Very low	31.5	Very low	211 Å²	211	158.3 Å²	158.3	80%	0.796	80%	0.804	S	S	*	*			trans	-132	144.9	171.3	-76.4	-179.6	178.6	-151.9	8.2	106.5
431	H	35.6	Very low	32.1	Very low	163 Å²	163	158.5 Å²	158.5	76%	0.755	81%	0.813	S	S	*	*			cis	-134.7	166.1	-2.9	-68.8	113.9	0	0	0	110.1
432	S	30.3	Very low	32.5	Very low	112 Å²	112	156 Å²	156	78%	0.783	81%	0.809	S	S	*	*			trans	-79.1	144.1	171	52.6	0	0	0	0	113.8
433	T	30	Very low	33.1	Very low	137 Å²	137	149.2 Å²	149.2	84%	0.84	80%	0.795	S	S	*	*			trans	-112.9	140.3	159.9	46	0	0	0	0	110.5
434	I	31.9	Very low	34.4	Very low	160 Å²	160	149.7 Å²	149.7	82%	0.821	79%	0.785	S	S	*	*			trans	-86.2	139.7	-172.5	-66.4	170.6	0	0	0	111.1
435	I	33.1	Very low	35.3	Very low	161 Å²	161	150.2 Å²	150.2	83%	0.826	78%	0.776	S	S	*	*			trans	-81.1	140.3	-179.9	-60.6	171.2	0	0	0	110.5
436	V	30.9	Very low	36.2	Very low	121 Å²	121	145.2 Å²	145.2	73%	0.733	76%	0.76	S	S	*	*			trans	-113.8	140.2	174.6	-175.7	0	0	0	0	107.4
437	P	32.4	Very low	37.8	Very low	118 Å²	118	140.6 Å²	140.6	77%	0.766	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-60.5	141.9	-168.5	20.8	-34.5	0	0	0	114.6	Y439	P437-Y439 PolarHBondContact O-N 3.4Å
438	S	31.3	Very low	38.9	Very low	122 Å²	122	138.6 Å²	138.6	85%	0.853	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-70.4	122.7	180	36.4	0	0	0	0	112.4
439	Y	31.5	Very low	40	Very low	230 Å²	230	137.7 Å²	137.7	90%	0.902	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-69.6	145.8	173.2	-125.8	-107.5	0	0	0	110.9	P437	P437-Y439 PolarHBondContact O-N 3.4Å
440	R	39	Very low	40.4	Very low	226 Å²	226	136.4 Å²	136.4	85%	0.853	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-78	145.9	171.9	-75	-170.6	176.4	-143	1	110.7
441	P	41.2	Very low	41.1	Very low	124 Å²	124	132.7 Å²	132.7	81%	0.805	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-58.9	142.4	166.1	-22.1	33.5	0	0	0	111.9
442	T	36.1	Very low	41.6	Very low	133 Å²	133	132.2 Å²	132.2	82%	0.816	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-69.7	152.1	165.4	23.8	0	0	0	0	111
443	P	41.6	Very low	42.1	Very low	92 Å²	92	136.3 Å²	136.3	60%	0.597	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-70.7	156	175	31.5	-35.4	0	0	0	111.5
444	D	53.7	Low	42.5	Very low	99 Å²	99	140.7 Å²	140.7	53%	0.529	70%	0.695	S	S	.	*	P	Polyproline II helix	trans	-75.7	158.1	-178.8	57.3	5.2	0	0	0	113.8	E446 T447 V448	D444-E446 VanDerWaalsContact C-N 3.29Å; D444-E446 PolarHBondContact O-N 3.27Å; D444-T447 PolarHBondContact O-N 3.14Å; D444-T447 VanDerWaalsContact O-N 3.07Å; D444-T447 WeakPolarHBondContact OD1-CB 3.45Å; D444-T447 PolarHBondContact OD1-N 2.89Å; D444-T447 PolarHBondContact OD1-OG1 2.8Å; D444-V448 PolarHBondContact O-N 2.82Å; D444-V448 VanDerWaalsContact O-N 3.15Å
445	Y	46.6	Very low	42.4	Very low	173 Å²	173	136.2 Å²	136.2	68%	0.678	69%	0.688	S	S	*	*	H	α-helix	trans	-59.3	-37.5	-176.7	177.9	-112.1	0	0	0	112.7	T447 V448 M449	Y445-T447 PolarHBondContact O-N 2.87Å; Y445-V448 PolarHBondContact O-N 2.74Å; Y445-M449 HydrophobicContact CD1-CG 4.23Å; Y445-M449 HydrophobicContact CD2-CG 4.02Å; Y445-M449 HydrophobicContact CE1-CG 3.93Å; Y445-M449 HydrophobicContact CE2-CG 3.68Å; Y445-M449 HydrophobicContact CE2-SD 3.88Å; Y445-M449 HydrophobicContact CG-CG 4.28Å; Y445-M449 WeakPolarHBondContact O-CB 3.49Å; Y445-M449 VanDerWaalsContact O-CG 3.3Å; Y445-M449 WeakPolarHBondContact O-CG 3.43Å; Y445-M449 PolarHBondContact O-N 3.24Å
446	E	50.1	Low	42.2	Very low	107 Å²	107	136.7 Å²	136.7	50%	0.5	69%	0.691	S	S	.	*	H	α-helix	trans	-56.7	-46.4	172.2	-95.6	-119	85.1	0	0	112.4	D444 V448 M449 R450	D444-E446 VanDerWaalsContact C-N 3.29Å; D444-E446 PolarHBondContact O-N 3.27Å; E446-V448 VanDerWaalsContact C-N 3.34Å; E446-V448 PolarHBondContact O-N 3.15Å; E446-M449 PolarHBondContact O-N 3.37Å; E446-R450 WeakPolarHBondContact O-CB 3.2Å; E446-R450 WeakPolarHBondContact O-CG 3.24Å; E446-R450 PolarHBondContact O-N 3.48Å; E446-R450 IonicContact OE1-CZ 2.91Å; E446-R450 IonicContact OE1-NE 3.68Å; E446-R450 PolarHBondContact OE1-NE 2.95Å; E446-R450 IonicContact OE1-NH2 2.85Å; E446-R450 PolarHBondContact OE1-NH2 3.39Å; E446-R450 IonicContact OE2-CZ 3.75Å; E446-R450 IonicContact OE2-NE 2.64Å; E446-R450 IonicContact OE2-NH2 2.65Å; E446-R450 PolarHBondContact OE2-NH2 3.31Å
447	T	65.9	Low	42	Very low	61 Å²	61	138.3 Å²	138.3	37%	0.374	70%	0.695	S	S	.	*	H	α-helix	trans	-64.6	-39.4	178.1	-65	0	0	0	0	111.6	D444 Y445 Q451	D444-T447 PolarHBondContact O-N 3.14Å; D444-T447 VanDerWaalsContact O-N 3.07Å; D444-T447 WeakPolarHBondContact OD1-CB 3.45Å; D444-T447 PolarHBondContact OD1-N 2.89Å; D444-T447 PolarHBondContact OD1-OG1 2.8Å; Y445-T447 PolarHBondContact O-N 2.87Å; T447-Q451 WeakPolarHBondContact O-CG 3.43Å; T447-Q451 PolarHBondContact O-N 3.1Å; T447-Q451 VanDerWaalsContact O-N 3.09Å
448	V	54.3	Low	41.9	Very low	65 Å²	65	141 Å²	141	39%	0.394	70%	0.697	S	S	.	*	H	α-helix	trans	-64.4	-47.8	176	178	0	0	0	0	111	D444 Y445 E446 R450 Q451 M452	D444-V448 PolarHBondContact O-N 2.82Å; D444-V448 VanDerWaalsContact O-N 3.15Å; Y445-V448 PolarHBondContact O-N 2.74Å; E446-V448 VanDerWaalsContact C-N 3.34Å; E446-V448 PolarHBondContact O-N 3.15Å; V448-R450 PolarHBondContact O-N 2.77Å; V448-Q451 WeakPolarHBondContact O-CB 3.37Å; V448-Q451 PolarHBondContact O-N 3.5Å; V448-Q451 VanDerWaalsContact O-N 3.13Å; V448-M452 WeakPolarHBondContact O-CB 3.44Å; V448-M452 PolarHBondContact O-N 3.37Å
449	M	55.6	Low	41.6	Very low	85 Å²	85	139 Å²	139	42%	0.419	69%	0.687	S	S	.	*	H	α-helix	trans	-67.4	-35.6	-179.6	-66.9	-61.4	-83.1	0	0	112.4	Y445 E446 Q451 M452 K453	Y445-M449 HydrophobicContact CD1-CG 4.23Å; Y445-M449 HydrophobicContact CD2-CG 4.02Å; Y445-M449 HydrophobicContact CE1-CG 3.93Å; Y445-M449 HydrophobicContact CE2-CG 3.68Å; Y445-M449 HydrophobicContact CE2-SD 3.88Å; Y445-M449 HydrophobicContact CG-CG 4.28Å; Y445-M449 WeakPolarHBondContact O-CB 3.49Å; Y445-M449 VanDerWaalsContact O-CG 3.3Å; Y445-M449 WeakPolarHBondContact O-CG 3.43Å; Y445-M449 PolarHBondContact O-N 3.24Å; E446-M449 PolarHBondContact O-N 3.37Å; M449-Q451 VanDerWaalsContact C-N 3.31Å; M449-Q451 PolarHBondContact O-N 3.07Å; M449-M452 PolarHBondContact O-N 3.41Å; M449-K453 WeakPolarHBondContact O-CB 3.35Å; M449-K453 PolarHBondContact O-N 2.93Å; M449-K453 VanDerWaalsContact O-N 3.1Å
450	R	46.5	Very low	41.3	Very low	164 Å²	164	135.4 Å²	135.4	62%	0.619	68%	0.684	S	S	*	*	H	α-helix	trans	-68.5	-25.5	172.6	-70.1	173.5	-171.4	-152.2	8.8	113.1	E446 V448	E446-R450 WeakPolarHBondContact O-CB 3.2Å; E446-R450 WeakPolarHBondContact O-CG 3.24Å; E446-R450 PolarHBondContact O-N 3.48Å; E446-R450 IonicContact OE1-CZ 2.91Å; E446-R450 IonicContact OE1-NE 3.68Å; E446-R450 PolarHBondContact OE1-NE 2.95Å; E446-R450 IonicContact OE1-NH2 2.85Å; E446-R450 PolarHBondContact OE1-NH2 3.39Å; E446-R450 IonicContact OE2-CZ 3.75Å; E446-R450 IonicContact OE2-NE 2.64Å; E446-R450 IonicContact OE2-NH2 2.65Å; E446-R450 PolarHBondContact OE2-NH2 3.31Å; V448-R450 PolarHBondContact O-N 2.77Å
451	Q	45.7	Very low	40.7	Very low	134 Å²	134	129.8 Å²	129.8	63%	0.626	68%	0.68	S	S	*	*	H	α-helix	trans	-76.8	-45	168.9	-74.7	-178.9	-1.9	0	0	111.9	T447 V448 M449 K453 R454	T447-Q451 WeakPolarHBondContact O-CG 3.43Å; T447-Q451 PolarHBondContact O-N 3.1Å; T447-Q451 VanDerWaalsContact O-N 3.09Å; V448-Q451 WeakPolarHBondContact O-CB 3.37Å; V448-Q451 PolarHBondContact O-N 3.5Å; V448-Q451 VanDerWaalsContact O-N 3.13Å; M449-Q451 VanDerWaalsContact C-N 3.31Å; M449-Q451 PolarHBondContact O-N 3.07Å; Q451-K453 VanDerWaalsContact C-N 3.29Å; Q451-K453 PolarHBondContact O-N 3.27Å; Q451-R454 PolarHBondContact O-N 3.27Å
452	M	46.1	Very low	40	Very low	153 Å²	153	132.1 Å²	132.1	75%	0.754	68%	0.679	S	S	*	*	H	α-helix	trans	-64.4	-32.7	-175.5	-161.1	168.3	-174.6	0	0	112.6	V448 M449 R454	V448-M452 WeakPolarHBondContact O-CB 3.44Å; V448-M452 PolarHBondContact O-N 3.37Å; M449-M452 PolarHBondContact O-N 3.41Å; M452-R454 PolarHBondContact O-N 2.75Å
453	K	39.7	Very low	39.5	Very low	197 Å²	197	130.2 Å²	130.2	86%	0.857	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	18.7	-179.7	-148.5	171	-172.2	174.2	0	114.9	M449 Q451	M449-K453 WeakPolarHBondContact O-CB 3.35Å; M449-K453 PolarHBondContact O-N 2.93Å; M449-K453 VanDerWaalsContact O-N 3.1Å; Q451-K453 VanDerWaalsContact C-N 3.29Å; Q451-K453 PolarHBondContact O-N 3.27Å
454	R	40.3	Very low	38.7	Very low	230 Å²	230	137.5 Å²	137.5	87%	0.868	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.2	14.5	-168.5	-120.8	-176.8	-165.7	-158.2	4.8	117.2	Q451 M452	Q451-R454 PolarHBondContact O-N 3.27Å; M452-R454 PolarHBondContact O-N 2.75Å
455	G	28.5	Very low	37.5	Very low	65 Å²	65	137.3 Å²	137.3	67%	0.67	69%	0.694	S	S	*	*			trans	-148.6	76	-173.2	0	0	0	0	0	117
456	L	29.7	Very low	36.8	Very low	171 Å²	171	135 Å²	135	90%	0.895	69%	0.693	S	S	*	*			trans	-156.5	93.6	152.9	-149.4	99.8	0	0	0	113.1
457	L	25.9	Very low	35.8	Very low	156 Å²	156	138.2 Å²	138.2	82%	0.817	70%	0.7	S	S	*	*			trans	-154	125.2	152.5	-93.6	-171.4	0	0	0	111.2
458	H	30.6	Very low	34.2	Very low	173 Å²	173	142.6 Å²	142.6	80%	0.801	72%	0.721	S	S	*	*			trans	48	109.5	158	-72.1	-49.1	0	0	0	123.7
459	A	25.6	Very low	33.2	Very low	80 Å²	80	144.2 Å²	144.2	66%	0.661	73%	0.727	S	S	*	*				96.6	126.4	101.8	0	0	0	0	0	121.9
460	D	25	Very low	31.9	Very low	156 Å²	156	145.8 Å²	145.8	83%	0.834	74%	0.737	S	S	*	*			trans	63.2	98	134.2	-66.2	7.9	0	0	0	123.3
461	S	26.8	Very low	31.2	Very low	108 Å²	108	143.3 Å²	143.3	76%	0.755	74%	0.735	S	S	*	*				101.3	157.6	111.6	-153.5	0	0	0	0	119.9
462	Q	25.3	Very low	30.3	Very low	172 Å²	172	144.4 Å²	144.4	80%	0.804	74%	0.744	S	S	*	*			trans	56.2	92.5	174.5	-50.7	-162.3	12.9	0	0	116.4
463	S	27	Very low	29.6	Very low	94 Å²	94	142.1 Å²	142.1	66%	0.657	74%	0.735	S	S	*	*				90.3	146.8	56	78.1	0	0	0	0	114.5
464	R	24.7	Very low	29.2	Very low	244 Å²	244	137.4 Å²	137.4	92%	0.921	72%	0.722	S	S	*	*			trans	67.8	158.8	170.5	-65.9	-178.7	-179.2	-165.6	0.2	113
465	S	28	Very low	28.8	Very low	95 Å²	95	134.7 Å²	134.7	66%	0.664	72%	0.719	S	S	*	*			cis	-179.9	150	-9.7	156	0	0	0	0	106.2
466	L	31.8	Very low	28.9	Very low	125 Å²	125	135.6 Å²	135.6	65%	0.654	72%	0.72	S	S	*	*			cis	-161.5	171.9	-13.3	-100.2	173.5	0	0	0	106.7
467	R	30	Very low	29.1	Very low	175 Å²	175	137.7 Å²	137.7	66%	0.66	72%	0.718	S	S	*	*			trans	14.4	143.5	139.6	-64.1	161.1	-180	171.3	3.2	119.8	L469	R467-L469 HydrophobicContact CB-CD1 3.95Å; R467-L469 HydrophobicContact CB-CG 3.92Å; R467-L469 HydrophobicContact CG-CD1 4.03Å; R467-L469 HydrophobicContact CG-CG 4.11Å
468	N	30.7	Very low	29.3	Very low	153 Å²	153	135.1 Å²	135.1	82%	0.818	71%	0.709	S	S	*	*				-169.2	155.9	101.9	-88.6	-16.9	0	0	0	113.1
469	L	33.5	Very low	29.3	Very low	98 Å²	98	135.1 Å²	135.1	51%	0.513	71%	0.709	S	S	.	*				-179	163.1	-53.9	-110.1	-175.5	0	0	0	109.7	R467	R467-L469 HydrophobicContact CB-CD1 3.95Å; R467-L469 HydrophobicContact CB-CG 3.92Å; R467-L469 HydrophobicContact CG-CD1 4.03Å; R467-L469 HydrophobicContact CG-CG 4.11Å
470	N	28.4	Very low	30.1	Very low	119 Å²	119	135.5 Å²	135.5	64%	0.636	71%	0.705	S	S	*	*			trans	72.7	159	137.9	-79.9	0.3	0	0	0	121.7
471	I	31.8	Very low	30.4	Very low	111 Å²	111	136.3 Å²	136.3	57%	0.569	70%	0.704	S	S	*	*			cis	-160.9	168.4	-20.8	-126	169.8	0	0	0	109.6
472	I	27.5	Very low	30.3	Very low	158 Å²	158	139.4 Å²	139.4	81%	0.81	71%	0.706	S	S	*	*			trans	154.3	140.9	137.7	-82.1	173.1	0	0	0	109.8
473	N	31.8	Very low	30.6	Very low	105 Å²	105	138.3 Å²	138.3	56%	0.561	71%	0.705	S	S	*	*			cis	174.3	165.6	-39.7	-114.4	23.4	0	0	0	109.1
474	T	30.8	Very low	30.6	Very low	98 Å²	98	141 Å²	141	60%	0.601	72%	0.717	S	S	*	*			cis	-118.4	-111.8	-7.5	-38.4	0	0	0	0	111.8
475	H	31.8	Very low	30.8	Very low	172 Å²	172	139.9 Å²	139.9	80%	0.796	72%	0.715	S	S	*	*			cis	-143.5	-177.5	0.2	-83.6	-81.3	0	0	0	111.4
476	A	30.7	Very low	30.8	Very low	84 Å²	84	140.7 Å²	140.7	69%	0.694	72%	0.72	S	S	*	*			trans	-146	-163.6	-165.6	0	0	0	0	0	113.6
477	Y	32.6	Very low	30.7	Very low	215 Å²	215	143.6 Å²	143.6	84%	0.843	73%	0.73	S	S	*	*			trans	90.5	122.6	-179.5	-66.7	-86.5	0	0	0	117.3
478	T	30.5	Very low	31.8	Very low	103 Å²	103	140 Å²	140	63%	0.632	73%	0.73	S	S	*	*			cis	-164.6	136.4	-13.3	0.7	0	0	0	0	113.9
479	Q	30.8	Very low	31.7	Very low	172 Å²	172	140.7 Å²	140.7	80%	0.804	73%	0.728	S	S	*	*			trans	43.7	165.8	130.5	-83.8	-164	-42.6	0	0	125.5
480	P	42.5	Very low	31.4	Very low	88 Å²	88	142.4 Å²	142.4	57%	0.571	74%	0.735	S	S	*	*			cis	-143.3	-176.7	-26.1	39	-19.6	0	0	0	117.3
481	E	30.6	Very low	31.4	Very low	174 Å²	174	146.9 Å²	146.9	81%	0.813	74%	0.743	S	S	*	*			trans	72.3	152.8	151	-77.9	160	-166	0	0	121.3
482	E	25.8	Very low	31.1	Very low	173 Å²	173	147.1 Å²	147.1	81%	0.808	75%	0.746	S	S	*	*			cis	-139.9	-155.5	2.2	-143.2	-167.6	167.4	0	0	114.3
483	L	32.1	Very low	31.1	Very low	149 Å²	149	150.6 Å²	150.6	78%	0.78	75%	0.748	S	S	*	*			trans	-117.5	167.3	-159.6	-70.7	155.6	0	0	0	115.2
484	V	27	Very low	30.9	Very low	149 Å²	149	154 Å²	154	90%	0.903	76%	0.761	S	S	*	*				168.4	161	123.4	156	0	0	0	0	112.4
485	Y	28.3	Very low	31.8	Very low	222 Å²	222	154.3 Å²	154.3	87%	0.871	76%	0.764	S	S	*	*			trans	-114	147.4	-165.1	-141	-106	0	0	0	111.9
486	S	27.5	Very low	31.7	Very low	112 Å²	112	155.8 Å²	155.8	78%	0.783	76%	0.764	S	S	*	*				165.7	129.3	128.6	62.7	0	0	0	0	115.4
487	Q	29.6	Very low	31.5	Very low	185 Å²	185	157.7 Å²	157.7	86%	0.864	77%	0.767	S	S	*	*			trans	-108.9	-179.8	148	-98.4	-163.6	-0.4	0	0	107.2
488	P	53.5	Low	31.6	Very low	101 Å²	101	153.3 Å²	153.3	66%	0.656	76%	0.763	S	S	*	*			cis	-143.4	-153.8	21.8	29.7	-1.3	0	0	0	115.2
489	E	28.5	Very low	32.3	Very low	166 Å²	166	154.2 Å²	154.2	78%	0.776	77%	0.771	S	S	*	*			trans	86.2	153.7	157.3	-62.1	-178.7	-179	0	0	120.2
490	M	26.5	Very low	32.3	Very low	135 Å²	135	157.2 Å²	157.2	67%	0.665	78%	0.776	S	S	*	*				-170.4	139	-53.2	-122.3	-153.3	-59	0	0	110.2
491	R	29.5	Very low	31.8	Very low	212 Å²	212	157.1 Å²	157.1	80%	0.8	78%	0.783	S	S	*	*			trans	64.2	160.7	160.4	-64.3	-176.4	-176.8	-148.2	3	116.3
492	D	26	Very low	32.6	Very low	117 Å²	117	154.4 Å²	154.4	63%	0.626	78%	0.781	S	S	*	*			cis	-158	165.9	-16.6	-117.8	-38.8	0	0	0	110.8
493	R	26.5	Very low	32.9	Very low	230 Å²	230	155.7 Å²	155.7	87%	0.868	79%	0.787	S	S	*	*			trans	71.1	126.2	155.8	-72.9	172.5	-179.6	-161.4	-1.8	122.4
494	H	27.8	Very low	32.7	Very low	178 Å²	178	152.7 Å²	152.7	82%	0.824	79%	0.791	S	S	*	*			trans	-77.8	-166.5	151.4	-51.2	-60.9	0	0	0	110.3
495	P	49	Very low	32.6	Very low	104 Å²	104	149.3 Å²	149.3	68%	0.675	79%	0.787	S	S	*	*			cis	-148.7	-165.8	12.6	26.3	4.3	0	0	0	118.2
496	Y	29.8	Very low	32.7	Very low	202 Å²	202	150.2 Å²	150.2	79%	0.792	79%	0.791	S	S	*	*			trans	92.3	97.4	160.5	-73.6	-85.9	0	0	0	122.6
497	T	26.4	Very low	32.8	Very low	124 Å²	124	148.4 Å²	148.4	76%	0.761	79%	0.79	S	S	*	*				75.6	148.3	111.4	-55.4	0	0	0	0	123.1
498	V	35.4	Very low	32.9	Very low	123 Å²	123	148.3 Å²	148.3	75%	0.745	79%	0.789	S	S	*	*			trans	-101.7	152.4	-172.3	-177.9	0	0	0	0	112.2
499	P	44.5	Very low	31.7	Very low	123 Å²	123	152.2 Å²	152.2	80%	0.799	80%	0.795	S	S	*	*			trans	-139	179.9	133.8	34	-17.6	0	0	0	115.5
500	Y	31.8	Very low	31.7	Very low	234 Å²	234	151.8 Å²	151.8	92%	0.918	80%	0.798	S	S	*	*			trans	-82.9	167.3	-169.1	-94.8	-123.7	0	0	0	116.4
501	A	32.3	Very low	31.7	Very low	87 Å²	87	151.4 Å²	151.4	72%	0.719	80%	0.803	S	S	*	*			trans	-83.5	171.3	168.4	0	0	0	0	0	113
502	P	46.4	Very low	31.7	Very low	117 Å²	117	146.3 Å²	146.3	76%	0.76	80%	0.799	S	S	*	*				-159	170.2	91.3	41.7	-21.9	0	0	0	119.7
503	Q	32.6	Very low	32.5	Very low	200 Å²	200	146.8 Å²	146.8	94%	0.935	81%	0.809	S	S	*	*			trans	59.9	129.7	147.8	-76.6	-175.2	9.7	0	0	125.4
504	G	28.1	Very low	32.6	Very low	85 Å²	85	140.9 Å²	140.9	88%	0.876	80%	0.803	S	S	*	*				122.6	121.1	120.4	0	0	0	0	0	120.1
505	G	25	Very low	32.7	Very low	79 Å²	79	138.6 Å²	138.6	81%	0.814	80%	0.796	S	S	*	*			trans	170.3	128.8	167.5	0	0	0	0	0	117.9
506	Y	30.1	Very low	31.7	Very low	241 Å²	241	140.5 Å²	140.5	95%	0.945	80%	0.797	S	S	*	*			trans	-63.9	171.9	-173	-73.9	-102.6	0	0	0	118.7
507	G	28.7	Very low	31.5	Very low	74 Å²	74	139 Å²	139	76%	0.763	80%	0.799	S	S	*	*			trans	-153.2	-101.4	179.9	0	0	0	0	0	117.5
508	H	32.6	Very low	31.7	Very low	183 Å²	183	140 Å²	140	85%	0.847	80%	0.8	S	S	*	*			trans	88.1	142	168.9	-113.4	-58	0	0	0	123.1
509	K	28.7	Very low	32.1	Very low	183 Å²	183	139.2 Å²	139.2	80%	0.796	80%	0.797	S	S	*	*			trans	78.1	144	162.3	-60.2	176.7	178.9	178.2	0	117.1
510	L	27.8	Very low	31.3	Very low	157 Å²	157	141.9 Å²	141.9	82%	0.822	80%	0.796	S	S	*	*			cis	-120.5	137.2	21	-100.3	85.6	0	0	0	113
511	V	27.7	Very low	31.1	Very low	127 Å²	127	137.4 Å²	137.4	77%	0.77	79%	0.788	S	S	*	*				91.9	130.2	83.8	170	0	0	0	0	115
512	S	28.5	Very low	30.8	Very low	104 Å²	104	138.6 Å²	138.6	73%	0.727	79%	0.791	S	S	*	*			trans	-108.9	-176.8	-177.4	-44.1	0	0	0	0	112.4
513	P	43.5	Very low	29.8	Very low	128 Å²	128	139.5 Å²	139.5	83%	0.831	79%	0.794	S	S	*	*				-145.3	-179.8	91	38.8	-21.8	0	0	0	116.1
514	S	28.5	Very low	29.8	Very low	106 Å²	106	136 Å²	136	74%	0.741	79%	0.787	S	S	*	*			trans	-72.7	-176.4	-179.1	-38.9	0	0	0	0	113.1
515	D	28.8	Very low	30.7	Very low	129 Å²	129	137.6 Å²	137.6	69%	0.69	78%	0.781	S	S	*	*			cis	-174.4	174.9	39.7	-147.5	7.8	0	0	0	115.4
516	Q	27.5	Very low	31	Very low	145 Å²	145	138.5 Å²	138.5	68%	0.678	78%	0.775	S	S	*	*			trans	70	124.7	148.9	-81.1	167	62.3	0	0	125.1
517	M	26.4	Very low	31.4	Very low	171 Å²	171	135.9 Å²	135.9	84%	0.842	77%	0.772	S	S	*	*				64.5	147.7	122.6	-139.4	103.9	84.8	0	0	123.1
518	N	30.6	Very low	32.4	Very low	145 Å²	145	138.2 Å²	138.2	78%	0.775	77%	0.774	S	S	*	*			trans	-130.3	125.6	174.2	-178.1	3.9	0	0	0	107.6
519	P	44.3	Very low	32.6	Very low	106 Å²	106	132.9 Å²	132.9	69%	0.688	77%	0.768	S	S	*	*				-158.3	149.9	108.8	39.1	-19.1	0	0	0	119.2
520	K	27.4	Very low	32.9	Very low	178 Å²	178	128.9 Å²	128.9	77%	0.774	77%	0.769	S	S	*	*			trans	57.8	121.7	136.2	-70.5	-175.8	177.1	178.5	0	124.4
521	N	27.7	Very low	33.3	Very low	140 Å²	140	126.6 Å²	126.6	75%	0.749	77%	0.766	S	S	*	*				99.7	129.8	121.6	-73.6	13.1	0	0	0	124.4
522	S	26.5	Very low	34	Very low	112 Å²	112	125.6 Å²	125.6	78%	0.783	77%	0.765	S	S	*	*			trans	74.7	155.5	157.3	81.6	0	0	0	0	117.8
523	T	24.7	Very low	34.3	Very low	136 Å²	136	127.5 Å²	127.5	83%	0.834	77%	0.765	S	S	*	*			cis	-141.4	-179.7	15.1	-27.3	0	0	0	0	114
524	V	33.6	Very low	33.9	Very low	128 Å²	128	126.3 Å²	126.3	78%	0.776	76%	0.76	S	S	*	*			trans	-100.3	150.5	-167	160.8	0	0	0	0	111.2
525	P	47	Very low	34.5	Very low	117 Å²	117	129 Å²	129	76%	0.76	76%	0.76	S	S	*	*				-153.9	142.4	98.9	40.5	-19.8	0	0	0	121.1
526	S	30.8	Very low	35.1	Very low	99 Å²	99	129 Å²	129	69%	0.692	77%	0.765	S	S	*	*			trans	64.2	105.9	134	67.3	0	0	0	0	125.2
527	Q	37.5	Very low	35.7	Very low	185 Å²	185	128 Å²	128	86%	0.864	77%	0.769	S	S	*	*				59.1	154.7	125.7	-76.5	-167.7	-2.6	0	0	122.1
528	P	50.4	Low	35.8	Very low	124 Å²	124	124.9 Å²	124.9	81%	0.805	76%	0.764	S	S	*	*			cis	-73.4	-173.8	-1.1	-22.2	37.9	0	0	0	115.5
529	G	36.2	Very low	36.5	Very low	70 Å²	70	124.5 Å²	124.5	72%	0.722	77%	0.767	S	S	*	*			cis	99.3	130.3	-3	0	0	0	0	0	115.1
530	A	35.6	Very low	37	Very low	100 Å²	100	124.4 Å²	124.4	83%	0.826	77%	0.766	S	S	*	*			cis	-140.4	-127.9	-14.4	0	0	0	0	0	106.8
531	S	36.9	Very low	37.5	Very low	108 Å²	108	124.1 Å²	124.1	76%	0.755	77%	0.768	S	S	*	*			cis	-178.8	151.1	-17.7	35.5	0	0	0	0	105.1
532	S	40.8	Very low	38	Very low	107 Å²	107	124.3 Å²	124.3	75%	0.748	77%	0.768	S	S	*	*			cis	-172.4	169.4	-6.5	49.1	0	0	0	0	106.8
533	I	34.8	Very low	38.1	Very low	144 Å²	144	123.1 Å²	123.1	74%	0.738	77%	0.765	S	S	*	*			cis	-120	-108.2	17.3	-41.7	175.6	0	0	0	111.2
534	S	35.6	Very low	38.4	Very low	102 Å²	102	123.7 Å²	123.7	71%	0.713	76%	0.763	S	S	*	*			cis	-157.6	176.6	-1.4	60.8	0	0	0	0	110.9
535	H	41.9	Very low	38.2	Very low	163 Å²	163	124.8 Å²	124.8	76%	0.755	76%	0.762	S	S	*	*			trans	-152.8	161.8	-172.9	-26.7	-70.8	0	0	0	112.2
536	T	40.6	Very low	37.3	Very low	128 Å²	128	126.8 Å²	126.8	79%	0.785	76%	0.761	S	S	*	*			cis	-119.1	-115.7	-9.7	-37.7	0	0	0	0	109.9
537	V	39.8	Very low	37.4	Very low	125 Å²	125	129.3 Å²	129.3	76%	0.758	77%	0.765	S	S	*	*			cis	-160.3	163.7	-8.7	-121.3	0	0	0	0	104.8
538	S	30.2	Very low	37	Very low	106 Å²	106	129 Å²	129	74%	0.741	76%	0.764	S	S	*	*			cis	-168.5	158	-2.8	44.4	0	0	0	0	109.6
539	T	44	Very low	36	Very low	136 Å²	136	126.7 Å²	126.7	83%	0.834	76%	0.763	S	S	*	*			trans	-137	167.1	165.6	46.8	0	0	0	0	110.4
540	P	54.5	Low	35.6	Very low	105 Å²	105	129.7 Å²	129.7	68%	0.682	77%	0.767	S	S	*	*				-143.2	145.3	123.2	35.7	-21.4	0	0	0	116.3
541	E	38	Very low	35.3	Very low	172 Å²	172	132.5 Å²	132.5	80%	0.804	76%	0.763	S	S	*	*			trans	51.4	144.8	132.5	-59.3	176.3	84.6	0	0	121.5
542	L	38.3	Very low	35	Very low	143 Å²	143	133.2 Å²	133.2	75%	0.749	76%	0.759	S	S	*	*			cis	-151.3	-155.5	-5.1	-114.5	168.8	0	0	0	107.8
543	A	29.7	Very low	34.5	Very low	87 Å²	87	138.5 Å²	138.5	72%	0.719	76%	0.764	S	S	*	*			cis	-157	-171.7	17.5	0	0	0	0	0	113.1
544	N	31.2	Very low	34.1	Very low	149 Å²	149	135.8 Å²	135.8	80%	0.797	76%	0.757	S	S	*	*			trans	-83.3	166.8	176.1	-52.7	-39	0	0	0	112.1
545	M	28.1	Very low	33.7	Very low	151 Å²	151	136.8 Å²	136.8	74%	0.744	76%	0.759	S	S	*	*			cis	-145.9	163.5	26.7	-82.1	-177.9	65.9	0	0	114.8
546	Q	27.8	Very low	33.2	Very low	159 Å²	159	133.3 Å²	133.3	74%	0.743	76%	0.759	S	S	*	*			trans	-5.7	151.4	143	-75.5	162.2	-41.1	0	0	118.8
547	L	33.8	Very low	32.8	Very low	151 Å²	151	135.6 Å²	135.6	79%	0.791	76%	0.76	S	S	*	*			cis	-158.5	176.6	49.2	-126.8	133.1	0	0	0	114.5
548	Q	29.5	Very low	32.2	Very low	179 Å²	179	136.6 Å²	136.6	84%	0.836	76%	0.759	S	S	*	*			trans	-77.7	160.6	173.4	-61.7	156.8	-49.2	0	0	112.7
549	G	28.9	Very low	32.3	Very low	76 Å²	76	139.8 Å²	139.8	78%	0.784	77%	0.767	S	S	*	*			trans	-169.4	136	168.4	0	0	0	0	0	112.5
550	T	28.1	Very low	31.6	Very low	132 Å²	132	143.3 Å²	143.3	81%	0.81	77%	0.765	S	S	*	*			trans	-137.6	153.8	-170.9	-33.9	0	0	0	0	111.7
551	Q	30	Very low	30.4	Very low	160 Å²	160	144.9 Å²	144.9	75%	0.748	77%	0.767	S	S	*	*			trans	82.3	120.3	163.1	-55.1	-165.5	10.2	0	0	120.9
552	N	29.5	Very low	29.9	Very low	122 Å²	122	141.3 Å²	141.3	65%	0.652	76%	0.76	S	S	*	*				60.6	150.3	121.4	-52.7	-13.5	0	0	0	123.9
553	Y	29.5	Very low	29.5	Very low	219 Å²	219	141.3 Å²	141.3	86%	0.859	76%	0.76	S	S	*	*			trans	67.2	157.6	170	-62.4	-86.8	0	0	0	117
554	S	27.4	Very low	29.7	Very low	86 Å²	86	147.3 Å²	147.3	60%	0.601	77%	0.77	S	S	*	*			cis	-170.4	153.9	-32.2	-176	0	0	0	0	111.1
555	T	28.1	Very low	29.6	Very low	123 Å²	123	150.9 Å²	150.9	76%	0.755	77%	0.773	S	S	*	*			trans	41.4	103.3	151.3	47.9	0	0	0	0	121.5
556	A	30.5	Very low	30.2	Very low	91 Å²	91	148.6 Å²	148.6	75%	0.752	77%	0.769	S	S	*	*				71.1	159.5	116.5	0	0	0	0	0	123.7
557	H	31.2	Very low	30.7	Very low	175 Å²	175	146.6 Å²	146.6	81%	0.81	77%	0.77	S	S	*	*			trans	87.7	151.2	163.7	-90.8	-89.4	0	0	0	122.3
558	M	29.2	Very low	30.9	Very low	146 Å²	146	144.7 Å²	144.7	72%	0.719	77%	0.767	S	S	*	*			trans	-82.8	156.5	-163.5	-47.9	170.4	-77.2	0	0	113.7
559	L	30.8	Very low	31.4	Very low	174 Å²	174	141.9 Å²	141.9	91%	0.911	76%	0.764	S	S	*	*				-176.5	-176.7	110.4	-100.2	168.2	0	0	0	114.6
560	R	29.7	Very low	31.9	Very low	210 Å²	210	148.9 Å²	148.9	79%	0.792	77%	0.768	S	S	*	*			trans	-109.1	153.7	-166.3	-117.3	179.9	175.5	170.8	-2.3	112.4
561	N	29.5	Very low	32.2	Very low	138 Å²	138	148.4 Å²	148.4	74%	0.738	77%	0.767	S	S	*	*			trans	68.9	160.3	150.7	-64.5	3.5	0	0	0	117
562	C	28	Very low	32.3	Very low	96 Å²	96	152.4 Å²	152.4	65%	0.649	78%	0.775	S	S	*	*			cis	-156	149.9	6.9	-131.5	0	0	0	0	113.8
563	L	30.2	Very low	33.4	Very low	144 Å²	144	151.8 Å²	151.8	75%	0.754	78%	0.778	S	S	*	*			trans	47.8	133.3	142.4	-65.7	167.8	0	0	0	124.4
564	F	32.2	Very low	33.4	Very low	213 Å²	213	152.8 Å²	152.8	93%	0.934	78%	0.78	S	S	*	*			trans	-145.2	160.8	132.2	-111.3	-82.8	0	0	0	111.1
565	R	29.8	Very low	34.2	Very low	223 Å²	223	154.7 Å²	154.7	84%	0.842	79%	0.791	S	S	*	*			trans	-165.4	175.9	-170	-135.7	-166.4	178.6	-168.9	2.6	107.9
566	P	40.8	Very low	34.3	Very low	104 Å²	104	153 Å²	153	68%	0.675	79%	0.789	S	S	*	*			cis	-123.9	-142.3	-19.1	42.4	-22.2	0	0	0	109.4
567	P	38.3	Very low	34.4	Very low	116 Å²	116	155.2 Å²	155.2	75%	0.753	79%	0.794	S	S	*	*			cis	-124	-127.1	-16.9	30.6	-4.2	0	0	0	114.6
568	P	37	Very low	34.3	Very low	112 Å²	112	152.2 Å²	152.2	73%	0.727	79%	0.792	S	S	*	*				-129	-155.5	-121.5	45.9	-25.5	0	0	0	114
569	P	39.8	Very low	34.7	Very low	119 Å²	119	150.2 Å²	150.2	77%	0.773	79%	0.788	S	S	*	*			cis	-122.3	-172.7	-26.5	36.1	-17.9	0	0	0	113.8
570	Y	40.3	Very low	35.9	Very low	224 Å²	224	148 Å²	148	88%	0.878	79%	0.785	S	S	*	*			trans	-83.7	155.3	173.1	-78.5	-82.2	0	0	0	114.2
571	P	34.1	Very low	36.1	Very low	122 Å²	122	143.9 Å²	143.9	79%	0.792	78%	0.778	S	S	*	*				-139	-176.8	111.3	38	-25.8	0	0	0	115.4
572	R	33.1	Very low	36.6	Very low	243 Å²	243	144.9 Å²	144.9	92%	0.917	78%	0.783	S	S	*	*			trans	-99	171.2	-175.9	-82.1	-147.1	-170.4	-158.4	8.1	113.2
573	P	52.8	Low	36.9	Very low	110 Å²	110	144 Å²	144	71%	0.714	78%	0.783	S	S	*	*			trans	-101	174.5	-149.2	39.2	-38.5	0	0	0	117.9
574	R	29.6	Very low	37	Very low	239 Å²	239	142 Å²	142	90%	0.902	78%	0.781	S	S	*	*			trans	82.2	164.8	179.2	-52.3	-171.2	-174.7	-173.8	3.6	114.6
575	P	44.3	Very low	37.4	Very low	126 Å²	126	139.4 Å²	139.4	82%	0.818	77%	0.771	S	S	*	*			cis	-133.7	173.5	1	42.1	-26.1	0	0	0	117.6
576	A	28.9	Very low	37.5	Very low	88 Å²	88	138.2 Å²	138.2	73%	0.727	77%	0.767	S	S	*	*			trans	-164.1	157.3	159.3	0	0	0	0	0	106.8
577	T	32.1	Very low	37.3	Very low	138 Å²	138	140.4 Å²	140.4	85%	0.847	77%	0.767	S	S	*	*			cis	-168.7	154.7	-14.8	21.5	0	0	0	0	106.1
578	S	30.7	Very low	37	Very low	111 Å²	111	142.5 Å²	142.5	78%	0.776	77%	0.765	S	S	*	*			cis	-149.4	-173.7	-2.4	63.8	0	0	0	0	110.5
579	T	36.4	Very low	36.6	Very low	104 Å²	104	146.6 Å²	146.6	64%	0.638	77%	0.767	S	S	*	*			trans	-89.2	177.2	169.3	33	0	0	0	0	111.8	D581	T579-D581 WeakPolarHBondContact CB-OD1 3.35Å; T579-D581 WeakPolarHBondContact CG2-OD1 3.47Å
580	P	56.8	Low	35.9	Very low	129 Å²	129	146.3 Å²	146.3	84%	0.838	76%	0.763	S	S	*	*			cis	-117.6	158.3	10	7.8	18.2	0	0	0	116.7
581	D	34.3	Very low	35.1	Very low	122 Å²	122	141.4 Å²	141.4	65%	0.652	76%	0.762	S	S	*	*			cis	-153.3	-129.3	-12.2	-138.5	62	0	0	0	111.3	T579	T579-D581 WeakPolarHBondContact CB-OD1 3.35Å; T579-D581 WeakPolarHBondContact CG2-OD1 3.47Å
582	L	39.4	Very low	34.6	Very low	159 Å²	159	138.8 Å²	138.8	83%	0.832	76%	0.757	S	S	*	*			cis	-154.6	-150.6	3.8	-139.9	-172.2	0	0	0	111.1
583	A	34.9	Very low	34.3	Very low	79 Å²	79	132.4 Å²	132.4	65%	0.653	75%	0.75	S	S	*	*			trans	-82.9	157.9	-166.8	0	0	0	0	0	116.3
584	S	32.5	Very low	33.5	Very low	101 Å²	101	132.5 Å²	132.5	71%	0.706	75%	0.753	S	S	*	*			cis	-168.4	140.9	-15	52.3	0	0	0	0	114.9
585	H	38.8	Very low	34.1	Very low	158 Å²	158	126.5 Å²	126.5	73%	0.731	74%	0.744	S	S	*	*			trans	70.9	127.4	136.5	-82.1	-31.2	0	0	0	126
586	R	33.2	Very low	33.4	Very low	199 Å²	199	126.9 Å²	126.9	75%	0.751	74%	0.74	S	S	*	*			trans	74.7	148.3	136.5	-68.9	-177.8	-175.5	-150.3	1.5	119.3
587	H	36.9	Very low	33.5	Very low	149 Å²	149	129.2 Å²	129.2	69%	0.69	74%	0.739	S	S	*	*			cis	-167.7	146.4	-26.5	-117.8	-14.1	0	0	0	112.3
588	K	31.8	Very low	33.2	Very low	160 Å²	160	127.8 Å²	127.8	70%	0.696	73%	0.73	S	S	*	*			trans	61.8	129.1	144.2	-71.1	-167.5	176.6	-173	0	123.6
589	Y	27.6	Very low	33.1	Very low	198 Å²	198	128 Å²	128	78%	0.776	73%	0.727	S	S	*	*				84.9	115.7	129.5	-88.8	-120.8	0	0	0	123.5
590	V	24.6	Very low	32.9	Very low	113 Å²	113	133.2 Å²	133.2	69%	0.685	74%	0.735	S	S	*	*				73.9	132.4	122.7	169.3	0	0	0	0	121.8
591	S	24.3	Very low	31.6	Very low	122 Å²	122	135.9 Å²	135.9	85%	0.853	73%	0.733	S	S	*	*			trans	61.6	149.6	160.1	-70.7	0	0	0	0	119.4
592	G	23.7	Very low	31.2	Very low	67 Å²	67	135.3 Å²	135.3	69%	0.691	73%	0.734	S	S	*	*			trans	153.7	91.9	165.3	0	0	0	0	0	115.4
593	S	25.9	Very low	30.7	Very low	109 Å²	109	135.9 Å²	135.9	76%	0.762	73%	0.733	S	S	*	*			trans	5.4	132.1	137.9	53.8	0	0	0	0	119.4
594	S	36.2	Very low	30.4	Very low	112 Å²	112	140.2 Å²	140.2	78%	0.783	74%	0.744	S	S	*	*			trans	-57.7	138.3	142.5	-171.8	0	0	0	0	108.8
595	P	42.6	Very low	30.3	Very low	112 Å²	112	139.7 Å²	139.7	73%	0.727	74%	0.74	S	S	*	*				-139.1	134.8	99.7	36.7	-24.3	0	0	0	115.2
596	D	29	Very low	29.8	Very low	134 Å²	134	138.4 Å²	138.4	72%	0.717	74%	0.743	S	S	*	*				9.1	158.8	124.8	-147.1	0	0	0	0	122.1
597	L	32.1	Very low	29.6	Very low	137 Å²	137	137.6 Å²	137.6	72%	0.717	75%	0.745	S	S	*	*			trans	83	115	159.3	-57.1	-176.6	0	0	0	122.6
598	V	25.6	Very low	29.3	Very low	109 Å²	109	135.4 Å²	135.4	66%	0.661	74%	0.742	S	S	*	*				87.1	92.7	121.4	172.9	0	0	0	0	120.5
599	T	29	Very low	29.2	Very low	115 Å²	115	135.5 Å²	135.5	71%	0.706	74%	0.743	S	S	*	*			trans	73	170	141.7	73.5	0	0	0	0	117.4
600	R	32	Very low	29.3	Very low	214 Å²	214	132.6 Å²	132.6	81%	0.808	74%	0.736	S	S	*	*			cis	-158.4	168.2	20.1	-138.7	154.6	-162.7	-166	8.1	110.8
601	K	29.5	Very low	29.9	Very low	185 Å²	185	134.2 Å²	134.2	80%	0.804	74%	0.736	S	S	*	*			trans	24	143.6	139.4	-80.4	-172.9	176.8	-170.2	0	120.4
602	V	26.8	Very low	30.2	Very low	110 Å²	110	134.8 Å²	134.8	67%	0.667	73%	0.73	S	S	*	*			cis	-168.2	167.1	-4.4	96.4	0	0	0	0	111
603	Q	27.9	Very low	30.5	Very low	171 Å²	171	135.7 Å²	135.7	80%	0.799	73%	0.725	S	S	*	*			trans	1.8	135.6	164.8	-58.8	156.8	-62.2	0	0	121.6
604	L	29.3	Very low	30.8	Very low	170 Å²	170	135.4 Å²	135.4	89%	0.89	72%	0.724	S	S	*	*			trans	-168.2	146.7	131.3	-89.9	171.4	0	0	0	106.7
605	S	30.2	Very low	31.5	Very low	89 Å²	89	135.1 Å²	135.1	62%	0.622	72%	0.719	S	S	*	*			cis	-172.6	143.6	-28.1	48.8	0	0	0	0	111
606	V	28.1	Very low	30.9	Very low	131 Å²	131	135.3 Å²	135.3	79%	0.794	72%	0.718	S	S	*	*			trans	62.7	107.4	150.9	174.8	0	0	0	0	119.6
607	K	29.3	Very low	30.9	Very low	183 Å²	183	134.8 Å²	134.8	80%	0.796	72%	0.719	S	S	*	*				-177.9	121	107.2	-118.5	163	-178.2	177.8	0	115.4
608	T	30.2	Very low	30.8	Very low	102 Å²	102	135.3 Å²	135.3	63%	0.626	72%	0.718	S	S	*	*			trans	49.6	140.4	134.6	54.3	0	0	0	0	122.2
609	F	29.1	Very low	31.1	Very low	163 Å²	163	137.6 Å²	137.6	72%	0.715	72%	0.721	S	S	*	*			cis	-149	135.4	-0.8	-96.1	-66.6	0	0	0	106.8
610	Q	30.9	Very low	31.2	Very low	137 Å²	137	136.6 Å²	136.6	64%	0.64	72%	0.719	S	S	*	*				61.3	147.6	95.2	-67.8	-165.6	-85.1	0	0	116.4
611	E	36.5	Very low	31.1	Very low	147 Å²	147	133.5 Å²	133.5	69%	0.687	72%	0.717	S	S	*	*			cis	-152.6	146.4	15.7	-141.5	155.2	-154.4	0	0	114.2
612	D	29.5	Very low	31.1	Very low	134 Å²	134	131.4 Å²	131.4	72%	0.717	71%	0.711	S	S	*	*			trans	57.9	154.2	140.8	-83.1	35.7	0	0	0	126.4
613	S	31.8	Very low	31.2	Very low	85 Å²	85	133.6 Å²	133.6	59%	0.594	71%	0.713	S	S	*	*			cis	-170.1	132.9	-24.1	53.2	0	0	0	0	109.5
614	S	31.8	Very low	31.1	Very low	104 Å²	104	131.2 Å²	131.2	73%	0.727	71%	0.71	S	S	*	*				102.1	168.5	78.7	82.9	0	0	0	0	113.6
615	P	49.3	Very low	31	Very low	106 Å²	106	128.1 Å²	128.1	69%	0.688	70%	0.703	S	S	*	*			cis	-147.2	-170.8	-36.7	32.5	-9	0	0	0	117.7
616	V	30.5	Very low	30.9	Very low	116 Å²	116	132.3 Å²	132.3	70%	0.703	71%	0.713	S	S	*	*			trans	73.4	124.5	152	-118.5	0	0	0	0	123.9
617	V	28.4	Very low	31.9	Very low	122 Å²	122	130.8 Å²	130.8	74%	0.739	71%	0.706	S	S	*	*				166.4	118.1	101.7	169	0	0	0	0	113.2
618	H	30.6	Very low	31.8	Very low	148 Å²	148	129.4 Å²	129.4	69%	0.685	71%	0.706	S	S	*	*			trans	33.7	157.7	138.7	-66.2	-122.4	0	0	0	123.2
619	Q	31.5	Very low	31.6	Very low	158 Å²	158	130.6 Å²	130.6	74%	0.738	71%	0.714	S	S	*	*			cis	-162.8	149.5	-14.5	-120.2	178.6	-51	0	0	113.2
620	S	31.1	Very low	31.4	Very low	94 Å²	94	127 Å²	127	66%	0.657	71%	0.714	S	S	*	*			trans	38.1	135.5	133.7	-65.5	0	0	0	0	126.9
621	L	31.5	Very low	31.2	Very low	148 Å²	148	126 Å²	126	78%	0.775	72%	0.718	S	S	*	*			trans	91.5	107.9	137.5	-70.6	163.9	0	0	0	123.7
622	Q	27.9	Very low	30.8	Very low	142 Å²	142	127.1 Å²	127.1	66%	0.664	72%	0.72	S	S	*	*				75.5	113.6	113.2	-160.2	162.1	10.5	0	0	123.4
623	E	29.1	Very low	30.8	Very low	155 Å²	155	128.5 Å²	128.5	72%	0.724	72%	0.722	S	S	*	*			trans	75.9	140.9	140.7	-82.8	169.2	-135.4	0	0	126.3
624	V	27.5	Very low	30.6	Very low	121 Å²	121	132.7 Å²	132.7	73%	0.733	73%	0.732	S	S	*	*			trans	78.2	117.5	140.6	168.3	0	0	0	0	121.4
625	S	25.5	Very low	30.3	Very low	106 Å²	106	130.9 Å²	130.9	74%	0.741	73%	0.729	S	S	*	*			trans	49	129	152.5	69	0	0	0	0	123.5
626	E	28.5	Very low	29.3	Very low	176 Å²	176	131.4 Å²	131.4	82%	0.822	73%	0.731	S	S	*	*			trans	-22.9	165.9	132.5	-96.3	178.5	-156.4	0	0	117.9
627	P	50	Low	29.3	Very low	100 Å²	100	132.1 Å²	132.1	65%	0.649	74%	0.735	S	S	*	*			cis	-141.1	-165.5	4	26.7	0.1	0	0	0	115.8
628	L	26.7	Very low	29.2	Very low	154 Å²	154	132.1 Å²	132.1	81%	0.806	73%	0.731	S	S	*	*			trans	96.8	149.1	149.3	-66.1	177.1	0	0	0	122.6
629	T	26.6	Very low	29.2	Very low	127 Å²	127	132.7 Å²	132.7	78%	0.779	73%	0.732	S	S	*	*			trans	66.8	80.2	157.6	42	0	0	0	0	121.3
630	A	25.1	Very low	29.2	Very low	88 Å²	88	134.7 Å²	134.7	73%	0.727	73%	0.732	S	S	*	*				60.2	147.3	104	0	0	0	0	0	123.4
631	T	25.3	Very low	29.1	Very low	116 Å²	116	138 Å²	138	71%	0.712	74%	0.737	S	S	*	*			trans	92.9	107.5	151.5	-30.3	0	0	0	0	119
632	K	27.7	Very low	29	Very low	170 Å²	170	135.9 Å²	135.9	74%	0.739	74%	0.735	S	S	*	*			trans	23.6	136.1	138.3	-40.6	171.8	-172	173.9	0	118.3
633	H	29.6	Very low	29.1	Very low	162 Å²	162	136.2 Å²	136.2	75%	0.75	74%	0.74	S	S	*	*				-164.1	-178.1	66.1	-103.5	-76.9	0	0	0	115.1
634	H	27.8	Very low	29.2	Very low	173 Å²	173	136.8 Å²	136.8	80%	0.801	74%	0.743	S	S	*	*			trans	-75.3	163.1	-169.6	-77.5	-108.9	0	0	0	117.3
635	G	26.5	Very low	29.4	Very low	66 Å²	66	136.3 Å²	136.3	68%	0.68	74%	0.74	S	S	*	*			trans	162.8	71.7	160.3	0	0	0	0	0	113.2
636	T	27.5	Very low	29.5	Very low	118 Å²	118	138.5 Å²	138.5	72%	0.724	74%	0.74	S	S	*	*				44.3	147.6	83.2	60.4	0	0	0	0	116.9
637	V	30.7	Very low	29.4	Very low	130 Å²	130	135.8 Å²	135.8	79%	0.788	73%	0.731	S	S	*	*			trans	86.1	133.5	173.7	-179.1	0	0	0	0	114.3
638	N	25.9	Very low	28.5	Very low	123 Å²	123	135.2 Å²	135.2	66%	0.658	73%	0.73	S	S	*	*			cis	-172.2	161.9	-24	-120.6	-43.3	0	0	0	112.6
639	K	30.6	Very low	28.6	Very low	160 Å²	160	136.3 Å²	136.3	70%	0.696	73%	0.733	S	S	*	*			trans	66.4	147.4	143	-75.6	172.3	-179.7	175.2	0	123.8
640	R	32.2	Very low	28.8	Very low	199 Å²	199	136.3 Å²	136.3	75%	0.751	73%	0.733	S	S	*	*			trans	77.1	118.7	149.8	-76.9	162.9	-178.3	175.8	-3.7	117
641	H	28.5	Very low	29.1	Very low	165 Å²	165	143.2 Å²	143.2	76%	0.764	74%	0.74	S	S	*	*				81.7	118.8	75.8	-71.8	10.9	0	0	0	111.6
642	S	28.9	Very low	29.3	Very low	103 Å²	103	140.7 Å²	140.7	72%	0.72	74%	0.736	S	S	*	*				70.7	130.8	88.6	-46.3	0	0	0	0	112.5
643	L	31.3	Very low	29.4	Very low	148 Å²	148	140.2 Å²	140.2	78%	0.775	74%	0.739	S	S	*	*			cis	-161.2	-166.5	-3	-148.3	126.7	0	0	0	108.4
644	E	30.8	Very low	29.3	Very low	167 Å²	167	140.5 Å²	140.5	78%	0.78	74%	0.741	S	S	*	*			trans	75.4	148.7	157	-73.7	-177.1	-148.1	0	0	120.1
645	V	31.7	Very low	29.4	Very low	111 Å²	111	136.5 Å²	136.5	67%	0.673	74%	0.738	S	S	*	*			cis	-166.2	166.7	-23.2	77.7	0	0	0	0	112.1
646	M	27.2	Very low	29.7	Very low	152 Å²	152	141 Å²	141	75%	0.749	74%	0.743	S	S	*	*			trans	69.2	158.7	162.6	-77.8	-179	170.6	0	0	118.9
647	N	26.1	Very low	29.8	Very low	119 Å²	119	141 Å²	141	64%	0.636	74%	0.743	S	S	*	*			cis	-151.4	138.9	-1.5	-121.1	-12.6	0	0	0	110
648	S	31.3	Very low	29.8	Very low	89 Å²	89	141.8 Å²	141.8	62%	0.622	74%	0.742	S	S	*	*				66	146.5	94.8	92.5	0	0	0	0	117.1
649	M	30.4	Very low	29.8	Very low	177 Å²	177	144.9 Å²	144.9	87%	0.872	75%	0.749	S	S	*	*			cis	-176	-160.6	-9.2	-114.7	-166.7	-159.3	0	0	109.7
650	V	29.9	Very low	29.7	Very low	127 Å²	127	142 Å²	142	77%	0.77	75%	0.749	S	S	*	*			trans	88.8	130.9	163.4	178.7	0	0	0	0	116.3
651	R	31.7	Very low	29.5	Very low	233 Å²	233	139.7 Å²	139.7	88%	0.879	75%	0.751	S	S	*	*			cis	-155.6	153.2	-12.9	-108.4	175.5	-160.5	-125	6.5	107.9
652	G	29.3	Very low	29.5	Very low	62 Å²	62	138.7 Å²	138.7	64%	0.639	75%	0.752	S	S	*	*				99.1	145.6	80.1	0	0	0	0	0	110.4
653	M	29.2	Very low	29.4	Very low	161 Å²	161	142 Å²	142	79%	0.793	76%	0.759	S	S	*	*			cis	-148	149	10.9	-75.6	160.4	65.1	0	0	108.5
654	E	28.9	Very low	29.8	Very low	168 Å²	168	140.4 Å²	140.4	79%	0.785	76%	0.758	S	S	*	*				73.4	126	55	-54.1	149.5	62.1	0	0	113.2
655	A	29.8	Very low	29.7	Very low	89 Å²	89	141.7 Å²	141.7	74%	0.736	77%	0.766	S	S	*	*			cis	-155.8	-150.1	-6.3	0	0	0	0	0	108.9
656	M	31.1	Very low	29.5	Very low	161 Å²	161	141 Å²	141	79%	0.793	77%	0.772	S	S	*	*			cis	-173	169.3	4.2	-151	-171.3	-64.6	0	0	112.5
657	T	30.6	Very low	29.4	Very low	117 Å²	117	144.5 Å²	144.5	72%	0.718	78%	0.777	S	S	*	*			trans	74.6	148.5	158.3	68.9	0	0	0	0	122.5
658	L	29.9	Very low	29.5	Very low	146 Å²	146	148.9 Å²	148.9	76%	0.764	78%	0.784	S	S	*	*			cis	-168.7	164.1	-17.3	-110.2	174.8	0	0	0	114.5
659	K	26.8	Very low	29.3	Very low	188 Å²	188	150.9 Å²	150.9	82%	0.817	79%	0.788	S	S	*	*			trans	75.5	149.6	161.7	-69.2	166.8	-177.3	177.8	0	119.7
660	S	27.6	Very low	29.2	Very low	100 Å²	100	148 Å²	148	70%	0.699	78%	0.781	S	S	*	*			cis	-174.4	140.5	-12.4	52.1	0	0	0	0	117.2
661	L	29.7	Very low	29	Very low	151 Å²	151	149.9 Å²	149.9	79%	0.791	79%	0.785	S	S	*	*			trans	77.1	129.4	141	-65.7	165.7	0	0	0	127.2
662	N	27.2	Very low	28.9	Very low	144 Å²	144	149.8 Å²	149.8	77%	0.77	79%	0.785	S	S	*	*			trans	78.3	140.4	140.5	-60.1	-8.8	0	0	0	124.8
663	I	26.4	Very low	28.9	Very low	172 Å²	172	152.1 Å²	152.1	88%	0.882	78%	0.779	S	S	*	*			trans	-154.9	139.4	-173.2	-44.5	175.9	0	0	0	114
664	P	39.9	Very low	28.9	Very low	115 Å²	115	148.4 Å²	148.4	75%	0.747	76%	0.76	S	S	*	*			trans	-146.3	144.6	174.8	39.3	-20.4	0	0	0	121.5
665	M	28.4	Very low	29.3	Very low	194 Å²	194	141.7 Å²	141.7	96%	0.956	74%	0.736	S	S	*	*			trans	62	-179.8	154.2	-62	-161	172.4	0	0	119.7
666	A	27.6	Very low	29.8	Very low	95 Å²	95	143.3 Å²	143.3	79%	0.785	74%	0.739	S	S	*	*			cis	-150.8	-154.4	12.4	0	0	0	0	0	115.2
667	R	25.8	Very low	29.9	Very low	226 Å²	226	139.5 Å²	139.5	85%	0.853	73%	0.728	S	S	*	*			trans	-153.7	147.2	-174.6	-83.5	-180	166.3	176	-3.2	117.2
668	R	28.1	Very low	30.2	Very low	212 Å²	212	141.6 Å²	141.6	80%	0.8	73%	0.73	S	S	*	*			trans	60.9	139	141.3	-86.9	-174	171.4	161.5	-2.5	125.9
669	N	26.9	Very low	30.3	Very low	130 Å²	130	142.5 Å²	142.5	70%	0.695	73%	0.73	S	S	*	*			trans	94.4	125.3	135.7	-71.8	12.7	0	0	0	126.2
670	T	27.8	Very low	30.4	Very low	118 Å²	118	137.5 Å²	137.5	72%	0.724	72%	0.723	S	S	*	*			trans	62.1	125	131.8	60.3	0	0	0	0	128.1
671	L	25.9	Very low	30.4	Very low	166 Å²	166	136.6 Å²	136.6	87%	0.869	73%	0.73	S	S	*	*				59.9	139.8	129.3	-77.9	162.4	0	0	0	127.1
672	R	29.8	Very low	30.2	Very low	230 Å²	230	132.7 Å²	132.7	87%	0.868	73%	0.726	S	S	*	*			trans	99.5	-167.5	144.5	-121.8	171.5	178.8	169.1	-0.3	122.5
673	E	28.8	Very low	30.2	Very low	112 Å²	112	134 Å²	134	52%	0.523	73%	0.727	S	S	.	*				-151.9	167.6	-127.8	-155.8	-159.8	148.2	0	0	116.2	Q690	E673-Q690 HydrophobicContact CG-CG 4.31Å
674	Q	30.9	Very low	30.1	Very low	83 Å²	83	133.7 Å²	133.7	39%	0.388	72%	0.722	S	S	.	*			trans	82	160.4	161	-57.4	-136.1	-17.7	0	0	122	L688 P689	Q674-L688 VanDerWaalsContact NE2-CD2 3.34Å; Q674-P689 WeakPolarHBondContact CA-O 3.48Å; Q674-P689 WeakPolarHBondContact CB-O 3.42Å; Q674-P689 WeakPolarHBondContact CG-O 3.48Å; Q674-P689 PolarHBondContact OE1-O 3.38Å
675	G	36.5	Very low	29.4	Very low	27 Å²	27	134.4 Å²	134.4	28%	0.278	72%	0.724	S	S	.	*			trans	-158.7	151.8	-175.7	0	0	0	0	0	116.1	P689	G675-P689 PolarHBondContact N-O 2.75Å; G675-P689 WeakPolarHBondContact O-CG 3.14Å
676	P	39.9	Very low	29.3	Very low	123 Å²	123	134.2 Å²	134.2	80%	0.799	72%	0.721	S	S	*	*			trans	-88.1	167.6	177.7	38	-37.4	0	0	0	112.7
677	S	33.3	Very low	29.1	Very low	80 Å²	80	133.1 Å²	133.1	56%	0.559	72%	0.719	S	S	*	*			cis	-165.8	-158.5	-15.6	46.6	0	0	0	0	109.1
678	E	38.2	Very low	29.4	Very low	162 Å²	162	129.3 Å²	129.3	76%	0.757	71%	0.714	S	S	*	*			trans	62.9	153.9	-178.2	-69.4	70.8	-89.1	0	0	115.1
679	E	31.9	Very low	29.7	Very low	165 Å²	165	123 Å²	123	77%	0.771	70%	0.701	S	S	*	*			cis	-156.9	165.6	-16.6	-108.3	-69.4	90.7	0	0	105.6
680	A	28.8	Very low	30	Very low	82 Å²	82	123.5 Å²	123.5	68%	0.678	70%	0.699	S	S	*	*			cis	-139.2	175.2	11.7	0	0	0	0	0	113.4
681	G	26.6	Very low	30.3	Very low	81 Å²	81	127.4 Å²	127.4	84%	0.835	70%	0.702	S	S	*	*			trans	-73.1	127.9	-168.4	0	0	0	0	0	116.9
682	G	26	Very low	30.6	Very low	69 Å²	69	127.2 Å²	127.2	71%	0.711	70%	0.696	S	S	*	*			trans	165.3	77.5	167.7	0	0	0	0	0	116.4
683	H	26.2	Very low	30.9	Very low	171 Å²	171	122.3 Å²	122.3	79%	0.792	68%	0.683	S	S	*	*			trans	68.8	129.1	169	-75.3	-97.9	0	0	0	120.7
684	E	25.3	Very low	31	Very low	167 Å²	167	124.6 Å²	124.6	78%	0.78	69%	0.691	S	S	*	*			trans	71.1	117.4	142.4	-72.5	174.9	-151.2	0	0	123.4
685	V	25.4	Very low	31.1	Very low	130 Å²	130	129.4 Å²	129.4	79%	0.788	71%	0.711	S	S	*	*			trans	80.1	115.4	152.7	-174	0	0	0	0	120.1
686	H	25.9	Very low	31	Very low	190 Å²	190	134 Å²	134	88%	0.88	73%	0.733	S	S	*	*			trans	-30.3	149.6	170.7	-44.7	-94.1	0	0	0	119.3
687	G	24.2	Very low	30.6	Very low	72 Å²	72	135.7 Å²	135.7	74%	0.742	74%	0.735	S	S	*	*			cis	144.4	107.6	-11	0	0	0	0	0	116.8
688	L	31.1	Very low	30.8	Very low	145 Å²	145	136.7 Å²	136.7	76%	0.759	74%	0.742	S	S	*	*			trans	-162.1	142.6	172.3	-67.1	174.6	0	0	0	112.8	Q674	Q674-L688 VanDerWaalsContact NE2-CD2 3.34Å
689	P	34.6	Very low	30.7	Very low	80 Å²	80	136.5 Å²	136.5	52%	0.519	75%	0.746	S	S	.	*			trans	-153.3	168.8	141.7	26.6	-2	0	0	0	118.6	Q674 G675	Q674-P689 WeakPolarHBondContact CA-O 3.48Å; Q674-P689 WeakPolarHBondContact CB-O 3.42Å; Q674-P689 WeakPolarHBondContact CG-O 3.48Å; Q674-P689 PolarHBondContact OE1-O 3.38Å; G675-P689 PolarHBondContact N-O 2.75Å; G675-P689 WeakPolarHBondContact O-CG 3.14Å
690	Q	33.4	Very low	31.1	Very low	140 Å²	140	132.5 Å²	132.5	65%	0.654	74%	0.741	S	S	*	*			trans	-130.6	170.1	-161.5	-157.4	-165.1	17	0	0	117.4	E673	E673-Q690 HydrophobicContact CG-CG 4.31Å
691	Y	34.4	Very low	31.4	Very low	201 Å²	201	134.8 Å²	134.8	79%	0.788	75%	0.747	S	S	*	*			trans	-148.1	-118.3	160.4	-110.9	-47.8	0	0	0	121.9
692	H	32.2	Very low	31.6	Very low	161 Å²	161	138.1 Å²	138.1	75%	0.745	74%	0.742	S	S	*	*			trans	-157	-179.2	-147.6	-109.3	28.6	0	0	0	116.2
693	H	35.1	Very low	31.9	Very low	127 Å²	127	142 Å²	142	59%	0.588	75%	0.746	S	S	*	*			cis	-166.6	171.3	18.1	-148.9	21.3	0	0	0	116.9
694	K	30.3	Very low	32.3	Very low	160 Å²	160	140.3 Å²	140.3	70%	0.696	74%	0.742	S	S	*	*			trans	47.8	110.8	150.9	-84.6	173.1	-177.4	137.5	0	128
695	K	34.8	Very low	32.5	Very low	184 Å²	184	140.2 Å²	140.2	80%	0.8	74%	0.741	S	S	*	*				77.1	106.2	122.3	-76.6	-166.7	175.3	-168.9	0	128.9
696	T	32.9	Very low	32.6	Very low	123 Å²	123	138.7 Å²	138.7	76%	0.755	74%	0.736	S	S	*	*				70.3	125.1	124.7	44	0	0	0	0	130.3
697	L	33.1	Very low	32.7	Very low	160 Å²	160	134.3 Å²	134.3	84%	0.838	73%	0.727	S	S	*	*			trans	98.8	126.3	133.3	-70.8	170.7	0	0	0	127.9
698	S	35.7	Very low	32.7	Very low	100 Å²	100	137.5 Å²	137.5	70%	0.699	73%	0.727	S	S	*	*			trans	73.6	124	135.4	-63.7	0	0	0	0	129.4
699	D	37.3	Very low	32.5	Very low	159 Å²	159	135.2 Å²	135.2	85%	0.85	72%	0.723	S	S	*	*				37.9	154.6	128	-74.6	15.5	0	0	0	125.2
700	A	39.1	Very low	32.2	Very low	81 Å²	81	139.7 Å²	139.7	67%	0.669	74%	0.737	S	S	*	*			cis	-174.2	-169.4	-8.9	0	0	0	0	0	113.5
701	T	35.7	Very low	31.9	Very low	129 Å²	129	141.4 Å²	141.4	79%	0.791	75%	0.745	S	S	*	*			trans	116.8	141.2	141.5	-11	0	0	0	0	123.6
702	M	31.7	Very low	31.7	Very low	151 Å²	151	140 Å²	140	74%	0.744	75%	0.746	S	S	*	*			trans	98.3	152.8	151.8	-71.6	-51.7	-70.2	0	0	124.1	I704	M702-I704 HydrophobicContact CE-CD1 4.29Å
703	L	31.9	Very low	31.4	Very low	152 Å²	152	140.2 Å²	140.2	80%	0.796	75%	0.747	S	S	*	*			trans	-139.6	171.8	-164.7	-78.4	161.6	0	0	0	111.1
704	I	35.1	Very low	31.1	Very low	135 Å²	135	143 Å²	143	69%	0.692	76%	0.76	S	S	*	*				171.9	127.8	125.1	-90	166.3	0	0	0	113.8	M702	M702-I704 HydrophobicContact CE-CD1 4.29Å
705	H	28	Very low	30.9	Very low	164 Å²	164	139.7 Å²	139.7	76%	0.759	76%	0.762	S	S	*	*			trans	23.2	155.5	143.4	-57.3	-57.2	0	0	0	124
706	S	28.8	Very low	31.3	Very low	99 Å²	99	136.1 Å²	136.1	69%	0.692	76%	0.758	S	S	*	*			cis	-173.1	174.3	-8.3	-99.6	0	0	0	0	112.4
707	S	27.7	Very low	31	Very low	97 Å²	97	139.1 Å²	139.1	68%	0.678	76%	0.764	S	S	*	*			trans	98.4	121.6	144.6	-86.5	0	0	0	0	124.5
708	D	24.9	Very low	30.8	Very low	139 Å²	139	135 Å²	135	74%	0.743	75%	0.753	S	S	*	*				84.7	133.4	123.9	-53	-29.7	0	0	0	127.7
709	S	25.5	Very low	30.4	Very low	98 Å²	98	136.8 Å²	136.8	69%	0.685	76%	0.759	S	S	*	*			trans	70.7	125.3	138.2	59.7	0	0	0	0	126.7
710	E	28.6	Very low	30.5	Very low	173 Å²	173	134.1 Å²	134.1	81%	0.808	75%	0.75	S	S	*	*				85.2	116.7	129.9	-71.6	164	-163.1	0	0	125.1
711	E	27.3	Very low	29.8	Very low	177 Å²	177	138.1 Å²	138.1	83%	0.827	76%	0.755	S	S	*	*				65.4	158.2	127.6	-60.4	-167.7	154.3	0	0	127.1
712	E	29.4	Very low	29.5	Very low	171 Å²	171	138.7 Å²	138.7	80%	0.799	75%	0.752	S	S	*	*			trans	78.2	118.4	159.9	-77.1	178.5	172.1	0	0	126.8
713	E	27.5	Very low	29.5	Very low	166 Å²	166	137 Å²	137	78%	0.776	75%	0.752	S	S	*	*			trans	58.5	135.7	130.9	-72.2	-164.7	155.5	0	0	129.6
714	E	27.4	Very low	29.2	Very low	186 Å²	186	135.7 Å²	135.7	87%	0.869	75%	0.75	S	S	*	*			trans	65.2	176.9	140.6	-67.3	-122.8	114.9	0	0	123.3
715	A	25.6	Very low	28.7	Very low	89 Å²	89	137.4 Å²	137.4	74%	0.736	76%	0.76	S	S	*	*			trans	-134.5	-145.7	-154.5	0	0	0	0	0	110
716	P	44.4	Very low	28.5	Very low	109 Å²	109	138.9 Å²	138.9	71%	0.708	76%	0.759	S	S	*	*			cis	-139.5	178.9	-10.1	44.1	-26	0	0	0	116.6
717	E	26.8	Very low	28.5	Very low	187 Å²	187	139.7 Å²	139.7	87%	0.874	75%	0.751	S	S	*	*			trans	57.7	158	149	-74.2	-161.8	156.9	0	0	122.7
718	A	27.5	Very low	28.3	Very low	74 Å²	74	142.4 Å²	142.4	61%	0.612	75%	0.751	S	S	*	*			cis	-173.8	-147.9	-22.9	0	0	0	0	0	111.2
719	V	28.3	Very low	28.4	Very low	136 Å²	136	140.3 Å²	140.3	82%	0.824	74%	0.743	S	S	*	*			trans	80	151.5	157.7	-111.9	0	0	0	0	118.4
720	P	40	Very low	28.4	Very low	103 Å²	103	143 Å²	143	67%	0.669	75%	0.745	S	S	*	*				-139.1	-164.4	-86.6	47.2	-32	0	0	0	115.9
721	Q	24.2	Very low	28.3	Very low	166 Å²	166	144.1 Å²	144.1	78%	0.776	74%	0.743	S	S	*	*			trans	147.4	122.7	136.4	-74.9	-155.2	23.5	0	0	111.5
722	I	28.3	Very low	28.3	Very low	140 Å²	140	140.4 Å²	140.4	72%	0.718	74%	0.737	S	S	*	*				88.7	136.3	59.5	-79	172.4	0	0	0	112.5
723	P	32.8	Very low	28.1	Very low	116 Å²	116	136.1 Å²	136.1	75%	0.753	73%	0.73	S	S	*	*			cis	-143.3	-175.6	-17.6	40.2	-19.5	0	0	0	117.9
724	V	24.3	Very low	28.3	Very low	124 Å²	124	137 Å²	137	75%	0.752	74%	0.735	S	S	*	*			trans	-42.8	149.1	168.2	175.6	0	0	0	0	118.3	R726	V724-R726 HydrophobicContact CG1-CB 4.5Å
725	L	25.7	Very low	28.6	Very low	172 Å²	172	136.1 Å²	136.1	90%	0.901	74%	0.735	S	S	*	*			trans	-132.9	168.3	147.6	-122.1	176.5	0	0	0	110.9
726	R	23.9	Very low	29.2	Very low	195 Å²	195	141 Å²	141	74%	0.736	74%	0.742	S	S	*	*			trans	-162.2	167.8	-158.2	-154.4	-164.5	-165.5	-141.4	14.6	114	V724	V724-R726 HydrophobicContact CG1-CB 4.5Å
727	E	27.4	Very low	28.7	Very low	115 Å²	115	140.5 Å²	140.5	54%	0.537	75%	0.747	S	S	.	*			trans	81.8	151.2	158.9	-51.5	-142.2	146.6	0	0	118
728	K	24.4	Very low	29	Very low	154 Å²	154	135 Å²	135	67%	0.67	73%	0.734	S	S	*	*			cis	-168.6	159.7	-13	-112	-178.1	-173.6	144.5	0	113
729	V	26.9	Very low	29.2	Very low	96 Å²	96	139.7 Å²	139.7	58%	0.582	75%	0.748	S	S	*	*			trans	59.5	109.7	137.4	176.3	0	0	0	0	123.2	Y731	V729-Y731 HydrophobicContact CG1-CD2 4.15Å; V729-Y731 HydrophobicContact CG1-CE2 4.17Å
730	E	25.2	Very low	29.3	Very low	154 Å²	154	137.7 Å²	137.7	72%	0.72	75%	0.745	S	S	*	*				42.6	171.9	119.4	-49.2	178.3	124.3	0	0	125.6
731	Y	26.6	Very low	28.8	Very low	197 Å²	197	144.6 Å²	144.6	77%	0.773	76%	0.758	S	S	*	*			trans	80.7	146.2	168.6	-62.3	-88.9	0	0	0	117.9	V729	V729-Y731 HydrophobicContact CG1-CD2 4.15Å; V729-Y731 HydrophobicContact CG1-CE2 4.17Å
732	S	27.4	Very low	29.2	Very low	99 Å²	99	144.3 Å²	144.3	69%	0.692	76%	0.761	S	S	*	*			cis	-167.2	164.1	-25.2	-163	0	0	0	0	112.7
733	A	25.7	Very low	29.6	Very low	80 Å²	80	143.1 Å²	143.1	66%	0.661	76%	0.762	S	S	*	*			trans	34.3	81	146.5	0	0	0	0	0	120.6
734	Q	31.5	Very low	29.6	Very low	186 Å²	186	145.2 Å²	145.2	87%	0.869	77%	0.767	S	S	*	*	S	Bend	trans	-146	18.3	146.3	-132.3	174.6	13.8	0	0	117.9
735	L	33.6	Very low	29.9	Very low	167 Å²	167	151 Å²	151	87%	0.874	78%	0.775	S	S	*	*	S	Bend	trans	-129.5	29.3	165.9	-142.4	80.9	0	0	0	114.3
736	Q	38	Very low	30.7	Very low	190 Å²	190	147.9 Å²	147.9	89%	0.888	77%	0.765	S	S	*	*	S	Bend	trans	-114.9	24.1	172.5	-156.2	173.8	0.4	0	0	112
737	A	33.6	Very low	31.3	Very low	99 Å²	99	144.6 Å²	144.6	82%	0.818	77%	0.769	S	S	*	*	S	Bend	trans	-132.1	-4.5	-175	0	0	0	0	0	114.9
738	A	33.1	Very low	31.7	Very low	71 Å²	71	144.2 Å²	144.2	59%	0.587	78%	0.777	S	S	*	*	S	Bend	trans	-147.8	130.3	170.6	0	0	0	0	0	108.7
739	L	33.3	Very low	31.9	Very low	174 Å²	174	144.9 Å²	144.9	91%	0.911	78%	0.782	S	S	*	*			cis	-123.4	123	9.2	-69.9	162.7	0	0	0	111.5
740	A	29.1	Very low	32.1	Very low	93 Å²	93	150 Å²	150	77%	0.769	79%	0.792	S	S	*	*			trans	-87.8	124.5	163.2	0	0	0	0	0	110
741	R	29.6	Very low	33	Very low	248 Å²	248	148.2 Å²	148.2	94%	0.936	79%	0.794	S	S	*	*			trans	-170.9	108.3	152.9	-103.6	151.5	-161.8	-154.2	4.2	113.9
742	I	31.9	Very low	33	Very low	161 Å²	161	141.9 Å²	141.9	83%	0.826	79%	0.789	S	S	*	*			trans	-29.3	146.6	139.1	-72	159.3	0	0	0	111.8
743	P	37.3	Very low	33.6	Very low	115 Å²	115	143.1 Å²	143.1	75%	0.747	79%	0.794	S	S	*	*			cis	-141.7	-179.9	34.8	33.4	-10.7	0	0	0	118.7
744	N	32.8	Very low	33.7	Very low	159 Å²	159	150 Å²	150	85%	0.85	80%	0.803	S	S	*	*			trans	-73.7	139.5	156.2	-57.4	-57	0	0	0	111.8
745	R	30.6	Very low	33.5	Very low	246 Å²	246	150.2 Å²	150.2	93%	0.928	80%	0.801	S	S	*	*			trans	-177.5	163.9	134.5	-103.8	179.4	179.3	-164.1	-1.3	112.4
746	P	42.7	Very low	33.1	Very low	106 Å²	106	147.1 Å²	147.1	69%	0.688	79%	0.794	S	S	*	*			trans	-96.6	169.5	-162	38.8	-38.4	0	0	0	115.1
747	P	37.5	Very low	32.5	Very low	126 Å²	126	144.2 Å²	144.2	82%	0.818	79%	0.789	S	S	*	*			trans	-81.3	136	168.4	32.8	-33.6	0	0	0	112.9
748	P	35.3	Very low	32	Very low	108 Å²	108	143.7 Å²	143.7	70%	0.701	78%	0.779	S	S	*	*			trans	-108.4	139	172.8	37.1	-30.2	0	0	0	115.1
749	E	27.6	Very low	31.6	Very low	167 Å²	167	148 Å²	148	78%	0.78	79%	0.792	S	S	*	*			trans	57.5	122.5	130.4	-59.7	-157.5	117.5	0	0	126.2
750	Y	31.3	Very low	31.4	Very low	203 Å²	203	143.1 Å²	143.1	80%	0.796	78%	0.784	S	S	*	*				68.1	170	127.8	-83.9	-105.2	0	0	0	121.6
751	P	44.4	Very low	31.2	Very low	117 Å²	117	143.4 Å²	143.4	76%	0.76	79%	0.786	S	S	*	*			cis	-116.9	162.6	-4.8	38.5	-23.8	0	0	0	114.9
752	G	27.1	Very low	31.2	Very low	64 Å²	64	138.9 Å²	138.9	66%	0.66	78%	0.78	S	S	*	*				93.3	157.2	74.1	0	0	0	0	0	111.4
753	P	39.1	Very low	31	Very low	125 Å²	125	140.7 Å²	140.7	81%	0.812	78%	0.776	S	S	*	*			cis	-105.6	167.4	4.3	11.4	14.1	0	0	0	113.1
754	R	28.3	Very low	30.5	Very low	224 Å²	224	141.2 Å²	141.2	85%	0.845	77%	0.769	S	S	*	*				73.6	126.3	56.5	-80.9	-173.6	173.5	-170.6	-1.2	117.5
755	K	27.4	Very low	30.2	Very low	191 Å²	191	138.7 Å²	138.7	83%	0.83	76%	0.756	S	S	*	*			trans	75.8	154	157.8	-69.7	179	178.6	-173.4	0	116.6
756	S	26.2	Very low	30.2	Very low	103 Å²	103	135.2 Å²	135.2	72%	0.72	75%	0.75	S	S	*	*			cis	-170.5	155	0.2	32.8	0	0	0	0	115.3
757	V	24	Very low	29.4	Very low	129 Å²	129	133.3 Å²	133.3	78%	0.782	75%	0.749	S	S	*	*			trans	70.2	100.3	136.1	172.9	0	0	0	0	122.1
758	S	23.8	Very low	28.9	Very low	87 Å²	87	133.2 Å²	133.2	61%	0.608	75%	0.746	S	S	*	*				72	145.8	117.4	94.4	0	0	0	0	126.6
759	N	24.7	Very low	28.5	Very low	161 Å²	161	136 Å²	136	86%	0.861	75%	0.754	S	S	*	*			trans	73.9	152.4	133.2	-65.9	-8.1	0	0	0	123.6
760	G	28.5	Very low	28.5	Very low	73 Å²	73	135.7 Å²	135.7	75%	0.753	76%	0.757	S	S	*	*			trans	93.4	100.9	168.2	0	0	0	0	0	114.2
761	A	25.6	Very low	29.2	Very low	98 Å²	98	131.3 Å²	131.3	81%	0.81	75%	0.754	S	S	*	*			cis	74.1	106.5	14	0	0	0	0	0	117.2
762	L	28.9	Very low	28.4	Very low	153 Å²	153	129.6 Å²	129.6	80%	0.801	75%	0.75	S	S	*	*			trans	-173.3	109.1	141.9	-94.7	168.5	0	0	0	107
763	R	27.3	Very low	28.5	Very low	200 Å²	200	133.2 Å²	133.2	76%	0.755	76%	0.759	S	S	*	*				65.7	131.7	105.3	-71.4	-172.9	-175.1	-83.6	-3.4	115
764	Q	28.5	Very low	28	Very low	125 Å²	125	131.1 Å²	131.1	58%	0.584	75%	0.752	S	S	*	*			cis	-160.6	-177.1	-1.7	-126	173.1	-75	0	0	107.9
765	D	26.6	Very low	28.1	Very low	107 Å²	107	132.3 Å²	132.3	57%	0.572	76%	0.756	S	S	*	*			cis	-158.6	-177	10.5	-142.2	3	0	0	0	107.9
766	Q	28.8	Very low	28.1	Very low	172 Å²	172	127 Å²	127	80%	0.804	75%	0.749	S	S	*	*			cis	-155.3	-139.7	-3.5	-157	177.9	97.2	0	0	107.2
767	G	26.3	Very low	28.2	Very low	66 Å²	66	133.7 Å²	133.7	68%	0.68	76%	0.758	S	S	*	*			trans	109.5	20.2	137.9	0	0	0	0	0	120.2
768	T	27.2	Very low	28.4	Very low	124 Å²	124	133.5 Å²	133.5	76%	0.761	76%	0.757	S	S	*	*			trans	-29.8	124.2	174	-52.1	0	0	0	0	119.4
769	L	27.2	Very low	28.8	Very low	166 Å²	166	136.7 Å²	136.7	87%	0.869	77%	0.766	S	S	*	*			trans	50.7	148.5	142.7	-59.2	170.7	0	0	0	124.8
770	L	26.9	Very low	29.1	Very low	161 Å²	161	139.3 Å²	139.3	84%	0.843	76%	0.764	S	S	*	*			trans	-70.2	178	155.5	-79	164.4	0	0	0	112.7
771	P	46.2	Very low	29.3	Very low	111 Å²	111	144.8 Å²	144.8	72%	0.721	77%	0.77	S	S	*	*			cis	-136.8	-174.1	-17.1	33.4	-11.8	0	0	0	115.5
772	A	29.3	Very low	29.4	Very low	82 Å²	82	142.9 Å²	142.9	68%	0.678	76%	0.759	S	S	*	*			trans	76.7	114.7	137.3	0	0	0	0	0	124.4
773	V	28.1	Very low	30.6	Very low	140 Å²	140	140.5 Å²	140.5	85%	0.848	75%	0.753	S	S	*	*				90.6	124.6	122.2	172.3	0	0	0	0	122.3
774	A	28.7	Very low	30.7	Very low	80 Å²	80	136.8 Å²	136.8	66%	0.661	76%	0.758	S	S	*	*			trans	90.6	131.3	144.9	0	0	0	0	0	124.4
775	R	29.4	Very low	30.9	Very low	249 Å²	249	139.8 Å²	139.8	94%	0.94	77%	0.769	S	S	*	*			trans	73.6	149.3	148.4	-70.1	166.7	175.4	175.7	-0.8	119.3
776	A	28.5	Very low	31	Very low	81 Å²	81	138.9 Å²	138.9	67%	0.669	78%	0.776	S	S	*	*			cis	-174.2	168.5	-21.6	0	0	0	0	0	113.8
777	R	27.6	Very low	31	Very low	243 Å²	243	137.8 Å²	137.8	92%	0.917	78%	0.775	S	S	*	*			trans	83.6	162.3	148.5	-77.6	172	175.4	177.3	-2.1	122.1
778	V	29.3	Very low	31	Very low	125 Å²	125	139 Å²	139	76%	0.758	77%	0.773	S	S	*	*			trans	83.8	99.9	168.5	-166.2	0	0	0	0	114.7
779	L	32.5	Very low	31	Very low	153 Å²	153	139.9 Å²	139.9	80%	0.801	78%	0.778	S	S	*	*				69.4	136.6	74.2	-85.6	77.3	0	0	0	114.1
780	R	30.3	Very low	31	Very low	217 Å²	217	136.7 Å²	136.7	82%	0.819	77%	0.77	S	S	*	*			cis	-125.8	-169.4	2.9	-55.5	178.2	176.3	155.3	-1.4	109.1
781	H	32.5	Very low	31	Very low	188 Å²	188	140.6 Å²	140.6	87%	0.87	77%	0.773	S	S	*	*			cis	-148	-151.5	1.1	-141.7	-7.1	0	0	0	108.6
782	G	28.4	Very low	30.1	Very low	58 Å²	58	139.3 Å²	139.3	60%	0.598	77%	0.772	S	S	*	*			cis	-177.1	159.8	-1.6	0	0	0	0	0	111.2
783	P	53.7	Low	30	Very low	102 Å²	102	142.7 Å²	142.7	66%	0.662	77%	0.774	S	S	*	*			trans	-144.7	165.1	-145.8	42.1	-23.9	0	0	0	120.6
784	S	28.4	Very low	30	Very low	123 Å²	123	143.2 Å²	143.2	86%	0.86	77%	0.767	S	S	*	*			trans	174.8	131.7	132.7	-76.4	0	0	0	0	110
785	K	33.6	Very low	29.8	Very low	187 Å²	187	147.4 Å²	147.4	81%	0.813	78%	0.778	S	S	*	*			cis	99.6	88.5	-0.4	-156.7	-153.2	172.7	-170.2	0	119.3
786	A	28	Very low	29.7	Very low	88 Å²	88	139.2 Å²	139.2	73%	0.727	76%	0.763	S	S	*	*			trans	-140.6	136.3	152.4	0	0	0	0	0	107.4
787	L	28.9	Very low	29.8	Very low	149 Å²	149	141 Å²	141	78%	0.78	77%	0.765	S	S	*	*				70.6	140.4	56.6	-63.7	172.4	0	0	0	113.1
788	S	26.3	Very low	29.7	Very low	92 Å²	92	137 Å²	137	64%	0.643	76%	0.762	S	S	*	*			cis	179	179.4	-18.9	49.3	0	0	0	0	110
789	V	27.1	Very low	29.5	Very low	142 Å²	142	134.5 Å²	134.5	86%	0.861	76%	0.762	S	S	*	*			trans	79.1	171.2	161.6	-179	0	0	0	0	116.1
790	S	27.3	Very low	29.2	Very low	99 Å²	99	131.6 Å²	131.6	69%	0.692	76%	0.76	S	S	*	*			trans	-147.7	150.6	-149.1	58.7	0	0	0	0	114.8
791	R	27.9	Very low	29.1	Very low	243 Å²	243	126.6 Å²	126.6	92%	0.917	76%	0.758	S	S	*	*			trans	66.5	152.1	145.9	-167.9	173.9	-177.8	170.3	1.6	118.6
792	A	26.8	Very low	28.9	Very low	84 Å²	84	125.6 Å²	125.6	69%	0.694	76%	0.758	S	S	*	*			trans	78.4	141.6	176.9	0	0	0	0	0	114.5
793	E	26.4	Very low	28.9	Very low	154 Å²	154	126.2 Å²	126.2	72%	0.72	77%	0.765	S	S	*	*			cis	-158.5	171.5	-4.2	-128.2	-178.1	115.7	0	0	113.4
794	Q	27.8	Very low	28.2	Very low	150 Å²	150	127.5 Å²	127.5	70%	0.701	77%	0.773	S	S	*	*			trans	49.7	114.1	153.8	-63.3	171.1	28.6	0	0	120.6
795	L	26.1	Very low	28.1	Very low	169 Å²	169	126.6 Å²	126.6	89%	0.885	77%	0.767	S	S	*	*				-173.2	144.6	96.9	-99.8	165.6	0	0	0	112.7
796	A	26.8	Very low	27.9	Very low	77 Å²	77	125.1 Å²	125.1	64%	0.636	77%	0.766	S	S	*	*			trans	-100.4	171.2	153.7	0	0	0	0	0	107.5
797	V	29.5	Very low	27.7	Very low	118 Å²	118	125.7 Å²	125.7	72%	0.715	77%	0.765	S	S	*	*				177.1	138.6	67.8	162.8	0	0	0	0	107.2
798	N	27.2	Very low	27.7	Very low	158 Å²	158	127 Å²	127	85%	0.845	77%	0.767	S	S	*	*			trans	46.5	171.6	158.6	-57	-14.8	0	0	0	121.2
799	G	24.7	Very low	28.2	Very low	74 Å²	74	128.4 Å²	128.4	76%	0.763	77%	0.774	S	S	*	*			trans	-92.2	-152.1	166.8	0	0	0	0	0	112.3
800	A	26	Very low	28	Very low	91 Å²	91	127.9 Å²	127.9	75%	0.752	77%	0.766	S	S	*	*			cis	-166.7	166.9	2.4	0	0	0	0	0	110.6
801	S	28.8	Very low	28.2	Very low	113 Å²	113	130.1 Å²	130.1	79%	0.79	77%	0.77	S	S	*	*			trans	65.1	167.1	161.7	74.7	0	0	0	0	116.9
802	L	28.3	Very low	28.1	Very low	166 Å²	166	123.5 Å²	123.5	87%	0.869	76%	0.756	S	S	*	*			cis	-131	147.6	2.6	-72.7	161.9	0	0	0	109.6
803	G	26.4	Very low	28.2	Very low	71 Å²	71	124.8 Å²	124.8	73%	0.732	76%	0.76	S	S	*	*				104.6	176.2	100.9	0	0	0	0	0	112.3
804	P	39.4	Very low	28.2	Very low	130 Å²	130	123.4 Å²	123.4	84%	0.844	76%	0.762	S	S	*	*			cis	-124.4	-159.7	0.1	43.4	-28.2	0	0	0	114.3
805	S	26.5	Very low	28.1	Very low	103 Å²	103	125 Å²	125	72%	0.72	77%	0.767	S	S	*	*			trans	-45.2	169.9	178.1	-39	0	0	0	0	117.4
806	I	29	Very low	28.2	Very low	157 Å²	157	122.9 Å²	122.9	81%	0.805	75%	0.752	S	S	*	*			cis	-158.9	152.4	39.3	-2.4	171.3	0	0	0	115
807	S	24.7	Very low	28.2	Very low	100 Å²	100	128.7 Å²	128.7	70%	0.699	76%	0.758	S	S	*	*			trans	30.5	124.7	148.4	62.1	0	0	0	0	124
808	E	27.6	Very low	27.9	Very low	175 Å²	175	128.7 Å²	128.7	82%	0.818	76%	0.758	S	S	*	*				20.5	151.9	109.2	-110.4	-179.3	-130.1	0	0	121.3
809	P	37	Very low	27.9	Very low	122 Å²	122	129.9 Å²	129.9	79%	0.792	76%	0.756	S	S	*	*				-143.5	165.1	68.1	41.1	-24.6	0	0	0	118.9
810	D	24.1	Very low	28	Very low	132 Å²	132	136 Å²	136	71%	0.706	76%	0.761	S	S	*	*			trans	-92.1	146.9	166.8	172.8	38.5	0	0	0	112.2
811	L	30.5	Very low	27.8	Very low	145 Å²	145	139.3 Å²	139.3	76%	0.759	76%	0.761	S	S	*	*			trans	-163.3	140.3	164.2	-69.3	-175.2	0	0	0	109.5
812	T	27.5	Very low	28.5	Very low	104 Å²	104	139.2 Å²	139.2	64%	0.638	76%	0.758	S	S	*	*			cis	-168.5	134	-11.9	18.1	0	0	0	0	110.6
813	S	27.8	Very low	28.4	Very low	111 Å²	111	136.8 Å²	136.8	78%	0.776	75%	0.75	S	S	*	*			trans	61.6	165	149.2	73.7	0	0	0	0	118.8
814	V	25.6	Very low	28.6	Very low	125 Å²	125	140.9 Å²	140.9	76%	0.758	75%	0.747	S	S	*	*			cis	-140.9	153.1	19.4	176.9	0	0	0	0	111.8
815	K	26.2	Very low	28	Very low	184 Å²	184	142 Å²	142	80%	0.8	74%	0.741	S	S	*	*			trans	-20.5	161.3	154.1	-74.2	173.4	-177.7	175.3	0	118.6
816	E	28.8	Very low	28.4	Very low	125 Å²	125	148.3 Å²	148.3	58%	0.584	75%	0.749	S	S	*	*			cis	-162.1	163.2	18.5	-134.6	-167.5	172.6	0	0	116.4
817	R	25.9	Very low	29	Very low	198 Å²	198	146.1 Å²	146.1	75%	0.747	75%	0.745	S	S	*	*			trans	71.9	115.1	144.4	-83.9	179.1	171.3	128.5	-4.2	125
818	V	25.1	Very low	29.2	Very low	119 Å²	119	147.6 Å²	147.6	72%	0.721	75%	0.75	S	S	*	*				106.8	97.6	119.1	168.2	0	0	0	0	121.5
819	K	26.5	Very low	29.4	Very low	183 Å²	183	145 Å²	145	80%	0.796	75%	0.751	S	S	*	*				22	139.1	121.7	-59.6	-175.1	174.3	-174.2	0	118.4
820	K	27.1	Very low	29.2	Very low	202 Å²	202	147.4 Å²	147.4	88%	0.878	75%	0.752	S	S	*	*			cis	-150.1	156.3	48.6	-83.3	-174.3	174.5	-178.2	0	116.5
821	E	21.9	Very low	29.4	Very low	160 Å²	160	147.5 Å²	147.5	75%	0.748	75%	0.749	S	S	*	*			trans	-68.4	-177.9	167	-76.2	174.5	114.8	0	0	114.6
822	P	42.5	Very low	29.3	Very low	112 Å²	112	149.2 Å²	149.2	73%	0.727	75%	0.751	S	S	*	*			cis	-143	150.4	18.9	28.8	-3.1	0	0	0	121.8
823	V	26.6	Very low	29.5	Very low	114 Å²	114	148 Å²	148	69%	0.691	75%	0.747	S	S	*	*				53.5	131.9	122.4	-172.4	0	0	0	0	118.6
824	K	29.6	Very low	29.8	Very low	157 Å²	157	148.7 Å²	148.7	68%	0.683	74%	0.742	S	S	*	*				-169	164.4	53.3	-148.3	161.2	179.5	-101.1	0	116.1
825	E	28.2	Very low	30.3	Very low	154 Å²	154	149.4 Å²	149.4	72%	0.72	74%	0.737	S	S	*	*			trans	77.3	165.5	152.2	-112.6	106.2	-107.6	0	0	122.8
826	R	33.5	Very low	30.7	Very low	235 Å²	235	146.1 Å²	146.1	89%	0.887	73%	0.728	S	S	*	*			trans	-133.2	-179.4	-172.4	-78.2	-178.2	172.6	176.1	-2.8	108.9
827	P	43.2	Very low	31	Very low	112 Å²	112	143.3 Å²	143.3	73%	0.727	72%	0.722	S	S	*	*			cis	-144	167.7	12.5	43	-22.9	0	0	0	120
828	V	29.1	Very low	31.9	Very low	130 Å²	130	139 Å²	139	79%	0.788	71%	0.713	S	S	*	*			trans	32.4	126.7	138	-176	0	0	0	0	122.6
829	S	31.5	Very low	32.7	Very low	121 Å²	121	138.3 Å²	138.3	85%	0.846	70%	0.704	S	S	*	*				-179.7	171.4	127.7	-78	0	0	0	0	113
830	E	32	Very low	33.4	Very low	173 Å²	173	137.1 Å²	137.1	81%	0.808	70%	0.701	S	S	*	*			trans	-125.9	167.3	-158.4	-58.6	175.5	122.5	0	0	116.5
831	M	29.3	Very low	34	Very low	133 Å²	133	136 Å²	136	66%	0.655	69%	0.691	S	S	*	*			trans	51.7	116.2	148.1	-73.2	164	51.2	0	0	122
832	F	27.1	Very low	34.9	Very low	181 Å²	181	132.3 Å²	132.3	79%	0.794	67%	0.674	S	S	*	*				164.6	125.5	104.9	-94	-68.5	0	0	0	113.9
833	S	32.8	Very low	34.8	Very low	80 Å²	80	133 Å²	133	56%	0.559	67%	0.669	S	S	*	*			trans	-168.5	133.7	141.6	-176.2	0	0	0	0	107.1	D836	S833-D836 PolarHBondContact OG-OD2 3.21Å
834	L	33.9	Very low	35.3	Very low	125 Å²	125	134.5 Å²	134.5	65%	0.654	67%	0.67	S	S	*	*			trans	-131.8	-20.6	-178	-115.3	157.6	0	0	0	113.4	D836	L834-D836 PolarHBondContact O-N 3.02Å
835	E	36	Very low	35.9	Very low	140 Å²	140	130.3 Å²	130.3	65%	0.654	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-44.8	174.9	-81.6	70	-167.7	0	0	113.5	S837 I838	E835-S837 PolarHBondContact O-N 2.71Å; E835-S837 VanDerWaalsContact O-N 3.15Å; E835-I838 PolarHBondContact O-N 3.29Å
836	D	34.8	Very low	36.6	Very low	114 Å²	114	129.1 Å²	129.1	61%	0.61	65%	0.647	S	S	*	*	H	α-helix	trans	-60.9	-31.2	-170.6	-61.7	-59.6	0	0	0	113.1	S833 L834 I838	S833-D836 PolarHBondContact OG-OD2 3.21Å; L834-D836 PolarHBondContact O-N 3.02Å; D836-I838 VanDerWaalsContact C-N 3.29Å; D836-I838 PolarHBondContact O-N 2.9Å
837	S	35.5	Very low	36.8	Very low	67 Å²	67	122.3 Å²	122.3	47%	0.469	63%	0.628	S	S	.	*	H	α-helix	trans	-72.4	-20.1	-179.2	-172.4	0	0	0	0	113.4	E835 R841	E835-S837 PolarHBondContact O-N 2.71Å; E835-S837 VanDerWaalsContact O-N 3.15Å; S837-R841 WeakPolarHBondContact O-CB 3.46Å
838	I	44.3	Very low	36.6	Very low	107 Å²	107	121.5 Å²	121.5	55%	0.549	62%	0.617	S	S	.	*	H	α-helix	trans	-77.4	-40.8	-175.2	-58.4	176.2	0	0	0	110.6	E835 D836 R841 E842	E835-I838 PolarHBondContact O-N 3.29Å; D836-I838 VanDerWaalsContact C-N 3.29Å; D836-I838 PolarHBondContact O-N 2.9Å; I838-R841 WeakPolarHBondContact O-CB 3.16Å; I838-R841 PolarHBondContact O-N 2.71Å; I838-E842 PolarHBondContact O-N 3.3Å
839	I	42.3	Very low	37.1	Very low	105 Å²	105	121 Å²	121	54%	0.538	61%	0.606	S	S	.	*	H	α-helix	trans	-69.9	-42.1	-174	-58.4	176.8	0	0	0	111.6	R841 E842 M843	I839-R841 VanDerWaalsContact C-N 3.27Å; I839-R841 PolarHBondContact O-N 3.43Å; I839-E842 PolarHBondContact O-N 2.75Å; I839-M843 PolarHBondContact O-N 2.84Å; I839-M843 VanDerWaalsContact O-N 3.09Å
840	E	39.4	Very low	37.5	Very low	157 Å²	157	122.1 Å²	122.1	73%	0.734	60%	0.596	S	S	*	*	H	α-helix	trans	-63.2	-36.2	173	-69.6	-160.4	133.1	0	0	111.7	M843 M844	E840-M843 PolarHBondContact O-N 3.43Å; E840-M844 WeakPolarHBondContact O-CB 3.27Å; E840-M844 PolarHBondContact O-N 3.07Å
841	R	40.7	Very low	37.7	Very low	180 Å²	180	121.2 Å²	121.2	68%	0.679	59%	0.591	S	S	*	*	H	α-helix	trans	-67.8	-41.7	179.4	-151.5	173.9	-159.2	141	-1	111.9	S837 I838 I839 M844 T845	S837-R841 WeakPolarHBondContact O-CB 3.46Å; I838-R841 WeakPolarHBondContact O-CB 3.16Å; I838-R841 PolarHBondContact O-N 2.71Å; I839-R841 VanDerWaalsContact C-N 3.27Å; I839-R841 PolarHBondContact O-N 3.43Å; R841-M844 PolarHBondContact O-N 3.05Å; R841-T845 PolarHBondContact O-N 3.03Å; R841-T845 PolarHBondContact O-OG1 3.12Å
842	E	41	Very low	38.1	Very low	82 Å²	82	122.9 Å²	122.9	38%	0.383	60%	0.595	S	S	.	*	H	α-helix	trans	-60.6	-41.6	170.4	-90.4	-151.4	118.9	0	0	112.9	I838 I839 M844 T845 R846	I838-E842 PolarHBondContact O-N 3.3Å; I839-E842 PolarHBondContact O-N 2.75Å; E842-M844 VanDerWaalsContact C-N 3.32Å; E842-T845 WeakPolarHBondContact CA-OG1 3.33Å; E842-T845 PolarHBondContact O-OG1 2.87Å; E842-T845 VanDerWaalsContact O-OG1 3.1Å; E842-R846 WeakPolarHBondContact O-CB 3.39Å; E842-R846 WeakPolarHBondContact O-CG 3.36Å; E842-R846 PolarHBondContact O-N 2.99Å; E842-R846 IonicContact OE1-CZ 2.75Å; E842-R846 IonicContact OE1-NH1 3.12Å; E842-R846 PolarHBondContact OE1-NH1 2.83Å; E842-R846 IonicContact OE1-NH2 2.78Å; E842-R846 PolarHBondContact OE1-NH2 2.9Å; E842-R846 IonicContact OE2-CZ 3.79Å; E842-R846 IonicContact OE2-NH1 3.96Å; E842-R846 PolarHBondContact OE2-NH1 3.02Å; E842-R846 IonicContact OE2-NH2 3.68Å
843	M	39.2	Very low	38.4	Very low	126 Å²	126	120.6 Å²	120.6	62%	0.621	59%	0.589	S	S	*	*	H	α-helix	trans	-68.7	-33.6	177	-73.9	-153.2	176.3	0	0	112	I839 E840 N847	I839-M843 PolarHBondContact O-N 2.84Å; I839-M843 VanDerWaalsContact O-N 3.09Å; E840-M843 PolarHBondContact O-N 3.43Å; M843-N847 PolarHBondContact O-N 2.78Å; M843-N847 PolarHBondContact O-ND2 3.03Å
844	M	38.6	Very low	38.5	Very low	146 Å²	146	120.9 Å²	120.9	72%	0.719	60%	0.596	S	S	*	*	H	α-helix	trans	-68.6	-45	175.5	-162.3	67	173.1	0	0	111.7	E840 R841 E842 N847 L848	E840-M844 WeakPolarHBondContact O-CB 3.27Å; E840-M844 PolarHBondContact O-N 3.07Å; R841-M844 PolarHBondContact O-N 3.05Å; E842-M844 VanDerWaalsContact C-N 3.32Å; M844-N847 PolarHBondContact O-N 3.01Å; M844-L848 WeakPolarHBondContact O-CB 3.38Å; M844-L848 PolarHBondContact O-N 3.06Å; M844-L848 VanDerWaalsContact O-N 3.07Å
845	T	41.5	Very low	38.7	Very low	68 Å²	68	117.7 Å²	117.7	42%	0.417	59%	0.593	S	S	.	*	H	α-helix	trans	-66.7	-48.1	178.5	51.6	0	0	0	0	112.3	R841 E842 N847 L848 E849	R841-T845 PolarHBondContact O-N 3.03Å; R841-T845 PolarHBondContact O-OG1 3.12Å; E842-T845 WeakPolarHBondContact CA-OG1 3.33Å; E842-T845 PolarHBondContact O-OG1 2.87Å; E842-T845 VanDerWaalsContact O-OG1 3.1Å; T845-N847 PolarHBondContact O-N 2.81Å; T845-N847 VanDerWaalsContact O-N 3.11Å; T845-L848 PolarHBondContact O-N 3.27Å; T845-E849 WeakPolarHBondContact O-CG 3.39Å; T845-E849 PolarHBondContact O-N 3.38Å
846	R	42.4	Very low	38.5	Very low	129 Å²	129	118.7 Å²	118.7	49%	0.487	60%	0.602	S	S	.	*	H	α-helix	trans	-59.5	-25.2	178.5	-75.6	-177.4	175.4	116.8	10.8	113.9	E842 K850	E842-R846 WeakPolarHBondContact O-CB 3.39Å; E842-R846 WeakPolarHBondContact O-CG 3.36Å; E842-R846 PolarHBondContact O-N 2.99Å; E842-R846 IonicContact OE1-CZ 2.75Å; E842-R846 IonicContact OE1-NH1 3.12Å; E842-R846 PolarHBondContact OE1-NH1 2.83Å; E842-R846 IonicContact OE1-NH2 2.78Å; E842-R846 PolarHBondContact OE1-NH2 2.9Å; E842-R846 IonicContact OE2-CZ 3.79Å; E842-R846 IonicContact OE2-NH1 3.96Å; E842-R846 PolarHBondContact OE2-NH1 3.02Å; E842-R846 IonicContact OE2-NH2 3.68Å; R846-K850 WeakPolarHBondContact O-CD 3.32Å; R846-K850 VanDerWaalsContact O-CG 3.28Å; R846-K850 WeakPolarHBondContact O-CG 3.32Å
847	N	37.9	Very low	38.5	Very low	92 Å²	92	120.1 Å²	120.1	49%	0.492	61%	0.609	S	S	.	*	H	α-helix	trans	-85.5	-34.5	173.6	-75.4	-53.8	0	0	0	112.6	M843 M844 T845 K850 Q851	M843-N847 PolarHBondContact O-N 2.78Å; M843-N847 PolarHBondContact O-ND2 3.03Å; M844-N847 PolarHBondContact O-N 3.01Å; T845-N847 PolarHBondContact O-N 2.81Å; T845-N847 VanDerWaalsContact O-N 3.11Å; N847-K850 PolarHBondContact O-N 3.38Å; N847-Q851 PolarHBondContact O-N 3.4Å; N847-Q851 VanDerWaalsContact O-N 3.16Å
848	L	38.2	Very low	38.4	Very low	96 Å²	96	122.3 Å²	122.3	50%	0.503	62%	0.622	S	S	.	*	H	α-helix	trans	-66.8	-37.7	174.4	-173	62.5	0	0	0	112.2	M844 T845 Q851 K852	M844-L848 WeakPolarHBondContact O-CB 3.38Å; M844-L848 PolarHBondContact O-N 3.06Å; M844-L848 VanDerWaalsContact O-N 3.07Å; T845-L848 PolarHBondContact O-N 3.27Å; L848-Q851 PolarHBondContact O-N 3.42Å; L848-K852 PolarHBondContact O-N 2.85Å
849	E	39.6	Very low	38.1	Very low	119 Å²	119	125.7 Å²	125.7	56%	0.556	64%	0.635	S	S	*	*	H	α-helix	trans	-65.6	-42.4	173.9	-70.3	178.5	138.8	0	0	112.2	T845 Q851 K852 M853	T845-E849 WeakPolarHBondContact O-CG 3.39Å; T845-E849 PolarHBondContact O-N 3.38Å; E849-Q851 PolarHBondContact O-N 3.22Å; E849-K852 PolarHBondContact O-N 3.16Å; E849-K852 VanDerWaalsContact O-N 3.13Å; E849-M853 WeakPolarHBondContact O-CB 3.39Å; E849-M853 VanDerWaalsContact O-CG 3.31Å; E849-M853 WeakPolarHBondContact O-CG 3.43Å; E849-M853 PolarHBondContact O-N 2.67Å
850	K	41.5	Very low	37.7	Very low	145 Å²	145	131 Å²	131	63%	0.63	65%	0.649	S	S	*	*	H	α-helix	trans	-60.5	-30.3	173.3	-75.6	172.5	-175.5	174.9	0	112.8	R846 N847	R846-K850 WeakPolarHBondContact O-CD 3.32Å; R846-K850 VanDerWaalsContact O-CG 3.28Å; R846-K850 WeakPolarHBondContact O-CG 3.32Å; N847-K850 PolarHBondContact O-N 3.38Å
851	Q	35.5	Very low	37.6	Very low	153 Å²	153	131.9 Å²	131.9	72%	0.715	65%	0.645	S	S	*	*	H	α-helix	trans	-78.6	-37.4	172.4	-71.7	-173.8	-9.7	0	0	112.8	N847 L848 E849 A854	N847-Q851 PolarHBondContact O-N 3.4Å; N847-Q851 VanDerWaalsContact O-N 3.16Å; L848-Q851 PolarHBondContact O-N 3.42Å; E849-Q851 PolarHBondContact O-N 3.22Å; Q851-A854 WeakPolarHBondContact O-CB 3.48Å; Q851-A854 PolarHBondContact O-N 3.24Å
852	K	38.8	Very low	37.4	Very low	169 Å²	169	127 Å²	127	74%	0.735	64%	0.637	S	S	*	*	H	α-helix	trans	-68.1	-32.4	174.5	-78.1	-173.8	173.7	-176.5	0	113.6	L848 E849 A854	L848-K852 PolarHBondContact O-N 2.85Å; E849-K852 PolarHBondContact O-N 3.16Å; E849-K852 VanDerWaalsContact O-N 3.13Å; K852-A854 PolarHBondContact O-N 2.9Å
853	M	33.2	Very low	37.2	Very low	133 Å²	133	127.5 Å²	127.5	66%	0.655	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-8.1	177	-73.1	-89.2	-171.1	0	0	113.8	E849 G855 R861	E849-M853 WeakPolarHBondContact O-CB 3.39Å; E849-M853 VanDerWaalsContact O-CG 3.31Å; E849-M853 WeakPolarHBondContact O-CG 3.43Å; E849-M853 PolarHBondContact O-N 2.67Å; M853-G855 VanDerWaalsContact C-N 3.3Å; M853-G855 PolarHBondContact O-N 2.87Å; M853-R861 PolarHBondContact SD-NH1 3.01Å
854	A	35.2	Very low	37.2	Very low	86 Å²	86	125.9 Å²	125.9	71%	0.711	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	9.6	-171.1	0	0	0	0	0	115.3	Q851 K852	Q851-A854 WeakPolarHBondContact O-CB 3.48Å; Q851-A854 PolarHBondContact O-N 3.24Å; K852-A854 PolarHBondContact O-N 2.9Å
855	G	36.3	Very low	37.3	Very low	57 Å²	57	123.8 Å²	123.8	59%	0.588	63%	0.625	S	S	*	*	S	Bend	trans	-158.1	79.8	-175.9	0	0	0	0	0	115.1	M853	M853-G855 VanDerWaalsContact C-N 3.3Å; M853-G855 PolarHBondContact O-N 2.87Å
856	L	33.4	Very low	37.2	Very low	162 Å²	162	121.2 Å²	121.2	85%	0.848	61%	0.611	S	S	*	*	S	Bend	trans	177.6	167.7	144.2	-94.5	162.1	0	0	0	108.7
857	D	34.2	Very low	36.9	Very low	144 Å²	144	116.8 Å²	116.8	77%	0.77	60%	0.601	S	S	*	*			trans	-65.1	149.5	-153.3	-70.9	-70.2	0	0	0	118	Q859	D857-Q859 PolarHBondContact O-N 3.23Å
858	P	32.8	Very low	37	Very low	112 Å²	112	113.1 Å²	113.1	73%	0.727	58%	0.582	S	S	*	*			trans	-89	-6	-165.6	-5.1	25.5	0	0	0	115	R860	P858-R860 PolarHBondContact O-N 3.12Å
859	Q	37.8	Very low	37	Very low	179 Å²	179	112.8 Å²	112.8	84%	0.836	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	11.5	-150.6	-146.7	179.4	14.7	0	0	116.5	D857	D857-Q859 PolarHBondContact O-N 3.23Å
860	R	34.1	Very low	36.7	Very low	217 Å²	217	109.7 Å²	109.7	82%	0.819	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.2	-13.4	-175.9	-72.9	-170.8	174.7	-168.4	-2.3	117.2	P858	P858-R860 PolarHBondContact O-N 3.12Å
861	R	37.4	Very low	36.4	Very low	174 Å²	174	108.6 Å²	108.6	66%	0.657	58%	0.581	S	S	*	*	H	α-helix	trans	-78	-39.1	-170.4	-70.9	-177.7	173.9	167.7	-2.1	116.6	M853 L863 M864 L865	M853-R861 PolarHBondContact SD-NH1 3.01Å; R861-L863 VanDerWaalsContact C-N 3.35Å; R861-L863 PolarHBondContact O-N 3.09Å; R861-M864 PolarHBondContact O-N 3.09Å; R861-L865 PolarHBondContact O-N 3.39Å
862	P	36.8	Very low	36.1	Very low	78 Å²	78	104.5 Å²	104.5	51%	0.506	57%	0.569	S	S	.	*	H	α-helix	trans	-64.1	-39.4	-178.9	-23.8	34.6	0	0	0	113.3	M864 L865 A866 L1184	P862-M864 VanDerWaalsContact C-N 3.3Å; P862-M864 PolarHBondContact O-N 3.16Å; P862-L865 PolarHBondContact O-N 2.83Å; P862-A866 PolarHBondContact O-N 3.13Å; P862-A866 VanDerWaalsContact O-N 3.16Å; P862-L1184 HydrophobicContact CB-CD2 4.01Å
863	L	37.4	Very low	35.6	Very low	92 Å²	92	103.1 Å²	103.1	48%	0.482	57%	0.574	S	S	.	*	H	α-helix	trans	-58.9	-39	179.7	-116.1	151.3	0	0	0	112.9	R861 R1183	R861-L863 VanDerWaalsContact C-N 3.35Å; R861-L863 PolarHBondContact O-N 3.09Å; L863-R1183 WeakPolarHBondContact CD2-O 3.3Å; L863-R1183 WeakPolarHBondContact CG-O 3.41Å
864	M	39.2	Very low	35.3	Very low	92 Å²	92	100.5 Å²	100.5	45%	0.453	57%	0.574	S	S	.	*	H	α-helix	trans	-72.5	-40.9	178.6	-140.3	160.2	79.1	0	0	110.7	E164 R861 P862 A866 L868	E164-M864 VanDerWaalsContact CD-CE 3.4Å; E164-M864 WeakPolarHBondContact OE1-CE 3.49Å; E164-M864 WeakPolarHBondContact OE2-CE 3.42Å; R861-M864 PolarHBondContact O-N 3.09Å; P862-M864 VanDerWaalsContact C-N 3.3Å; P862-M864 PolarHBondContact O-N 3.16Å; M864-A866 VanDerWaalsContact C-N 3.33Å; M864-A866 PolarHBondContact O-N 2.84Å; M864-L868 WeakPolarHBondContact O-CB 3.49Å; M864-L868 WeakPolarHBondContact O-CD1 3.3Å; M864-L868 WeakPolarHBondContact O-CG 3.32Å; M864-L868 PolarHBondContact O-N 2.84Å; M864-L868 VanDerWaalsContact O-N 3.11Å
865	L	40.8	Very low	35.1	Very low	103 Å²	103	106.1 Å²	106.1	54%	0.539	58%	0.577	S	S	.	*	H	α-helix	trans	-65.9	-29.7	179.5	-123	78.3	0	0	0	114.2	R861 P862 L868 N869	R861-L865 PolarHBondContact O-N 3.39Å; P862-L865 PolarHBondContact O-N 2.83Å; L865-L868 HydrophobicContact CD1-CD1 4.14Å; L865-L868 PolarHBondContact O-N 3.11Å; L865-N869 PolarHBondContact O-ND2 3.26Å
866	A	38.5	Very low	34.7	Very low	14 Å²	14	109.7 Å²	109.7	12%	0.116	59%	0.587	C	S	.	*	H	α-helix	trans	-74.8	-44.1	179.7	0	0	0	0	0	112.4	P862 M864 L868 N869 L1184 I1185	P862-A866 PolarHBondContact O-N 3.13Å; P862-A866 VanDerWaalsContact O-N 3.16Å; M864-A866 VanDerWaalsContact C-N 3.33Å; M864-A866 PolarHBondContact O-N 2.84Å; A866-L868 PolarHBondContact O-N 2.87Å; A866-N869 PolarHBondContact O-N 3.49Å; A866-L1184 VanDerWaalsContact CB-O 3.24Å; A866-L1184 WeakPolarHBondContact CB-O 3.14Å; A866-I1185 WeakPolarHBondContact CB-OXT 3.36Å
867	A	37.3	Very low	34.6	Very low	35 Å²	35	106.8 Å²	106.8	29%	0.289	58%	0.578	S	S	.	*	H	α-helix	trans	-61	-27.4	170.1	0	0	0	0	0	112.7	N869	A867-N869 VanDerWaalsContact C-N 3.27Å; A867-N869 PolarHBondContact O-N 3.04Å
868	L	38.8	Very low	34.2	Very low	15 Å²	15	103.5 Å²	103.5	8%	0.079	58%	0.577	C	S	.	*	T	Hydrogen-bonded Turn	trans	-77	1.8	174.6	-71.1	163.1	0	0	0	114.5	F150 F161 M864 L865 A866	F150-L868 VanDerWaalsContact CE1-CA 3.5Å; F150-L868 HydrophobicContact CE1-CB 3.92Å; F150-L868 HydrophobicContact CE1-CD2 3.51Å; F150-L868 HydrophobicContact CE1-CG 4.26Å; F150-L868 VanDerWaalsContact CE1-O 3.32Å; F150-L868 WeakPolarHBondContact CE1-O 3.35Å; F150-L868 HydrophobicContact CZ-CD2 4.19Å; F150-L868 WeakPolarHBondContact CZ-O 3.36Å; F161-L868 HydrophobicContact CB-CD2 3.71Å; F161-L868 HydrophobicContact CD2-CD2 3.71Å; F161-L868 HydrophobicContact CG-CD2 4.13Å; M864-L868 WeakPolarHBondContact O-CB 3.49Å; M864-L868 WeakPolarHBondContact O-CD1 3.3Å; M864-L868 WeakPolarHBondContact O-CG 3.32Å; M864-L868 PolarHBondContact O-N 2.84Å; M864-L868 VanDerWaalsContact O-N 3.11Å; L865-L868 HydrophobicContact CD1-CD1 4.14Å; L865-L868 PolarHBondContact O-N 3.11Å; A866-L868 PolarHBondContact O-N 2.87Å
869	N	38.3	Very low	34	Very low	90 Å²	90	109.8 Å²	109.8	48%	0.481	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-134.1	24	-175.4	-75.9	-88.7	0	0	0	114.1	L865 A866 A867 L871	L865-N869 PolarHBondContact O-ND2 3.26Å; A866-N869 PolarHBondContact O-N 3.49Å; A867-N869 VanDerWaalsContact C-N 3.27Å; A867-N869 PolarHBondContact O-N 3.04Å; N869-L871 VanDerWaalsContact C-N 3.27Å; N869-L871 PolarHBondContact O-N 2.97Å; N869-L871 VanDerWaalsContact O-N 3.09Å
870	G	33.3	Very low	33.6	Very low	53 Å²	53	109.8 Å²	109.8	55%	0.546	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	69	8.7	166.9	0	0	0	0	0	117.6	D149 S872	D149-G870 WeakPolarHBondContact O-CA 3.44Å; D149-G870 PolarHBondContact O-N 3.14Å; D149-G870 VanDerWaalsContact O-N 3.16Å; G870-S872 PolarHBondContact O-N 3.05Å
871	L	35.5	Very low	33.3	Very low	123 Å²	123	107.2 Å²	107.2	64%	0.644	59%	0.589	S	S	*	*			trans	-81.5	-4.3	-171.8	-71.4	172.6	0	0	0	115.4	N869 I1185	N869-L871 VanDerWaalsContact C-N 3.27Å; N869-L871 PolarHBondContact O-N 2.97Å; N869-L871 VanDerWaalsContact O-N 3.09Å; L871-I1185 HydrophobicContact CB-CG2 3.86Å; L871-I1185 VanDerWaalsContact O-CG2 3.27Å; L871-I1185 WeakPolarHBondContact O-CG2 3.42Å
872	S	28.1	Very low	33.2	Very low	67 Å²	67	103.2 Å²	103.2	47%	0.469	59%	0.588	S	S	.	*			trans	-99.4	117	-179.5	59.4	0	0	0	0	113	G870 A874	G870-S872 PolarHBondContact O-N 3.05Å; S872-A874 PolarHBondContact O-N 2.75Å
873	V	30.1	Very low	32.9	Very low	140 Å²	140	111 Å²	111	85%	0.848	61%	0.607	S	S	*	*			trans	-82.1	84.3	-178.5	-176.2	0	0	0	0	111.3	R875	V873-R875 PolarHBondContact O-N 2.83Å
874	A	26.4	Very low	32.6	Very low	78 Å²	78	115.8 Å²	115.8	65%	0.645	63%	0.627	S	S	*	*			trans	-70.6	94.8	173.9	0	0	0	0	0	112	S872 V876	S872-A874 PolarHBondContact O-N 2.75Å; A874-V876 PolarHBondContact O-N 3.37Å; A874-V876 VanDerWaalsContact O-N 3.16Å
875	R	30	Very low	32.5	Very low	204 Å²	204	119.4 Å²	119.4	77%	0.77	65%	0.649	S	S	*	*			trans	-68.1	110	170.7	-87.3	-174.9	174.2	143.4	-0.8	111.2	V873	V873-R875 PolarHBondContact O-N 2.83Å
876	V	28.1	Very low	32.3	Very low	131 Å²	131	119 Å²	119	79%	0.794	66%	0.66	S	S	*	*			trans	-53.4	129.5	171.1	179.9	0	0	0	0	110.9	A874 G878	A874-V876 PolarHBondContact O-N 3.37Å; A874-V876 VanDerWaalsContact O-N 3.16Å; V876-G878 PolarHBondContact O-N 3.47Å
877	P	31.5	Very low	32.6	Very low	102 Å²	102	123.9 Å²	123.9	66%	0.662	69%	0.689	S	S	*	*			trans	-74.6	113.2	173.2	29.4	-32.3	0	0	0	110.7
878	G	26.1	Very low	33.3	Very low	74 Å²	74	133.1 Å²	133.1	76%	0.763	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-62.7	145	169.1	0	0	0	0	0	111.8	V876	V876-G878 PolarHBondContact O-N 3.47Å
879	R	28.4	Very low	34.4	Very low	245 Å²	245	135.9 Å²	135.9	93%	0.925	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-67.4	151.1	-175.6	-148.6	175.1	-172.5	179.2	3	112
880	E	29.8	Very low	36.1	Very low	178 Å²	178	135 Å²	135	83%	0.832	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-63.4	149.2	-166.1	-57.8	156	110	0	0	114.9
881	D	26.9	Very low	38	Very low	164 Å²	164	136.1 Å²	136.1	88%	0.877	73%	0.725	S	S	*	*			trans	-125.8	139.2	139.6	-158.6	-9.9	0	0	0	108.2
882	S	35.3	Very low	39.8	Very low	90 Å²	90	133.9 Å²	133.9	63%	0.629	71%	0.714	S	S	*	*			trans	-94.8	114.6	-147.1	59.4	0	0	0	0	115.1
883	R	30.9	Very low	42.3	Very low	240 Å²	240	133.6 Å²	133.6	91%	0.906	71%	0.707	S	S	*	*			trans	-166.9	115.7	152	-94.1	126.2	-150.2	-118.8	4.6	113.7
884	Q	31.8	Very low	44.8	Very low	193 Å²	193	128.2 Å²	128.2	90%	0.902	67%	0.671	S	S	*	*			trans	58.2	105.8	156.7	-67.1	-179.4	-20.3	0	0	118.5
885	D	36.3	Very low	47.6	Very low	169 Å²	169	124.9 Å²	124.9	90%	0.904	64%	0.643	S	S	*	*			trans	-59.1	138.9	169.3	-84.2	-69.7	0	0	0	114.5
886	A	37.3	Very low	50.2	Low	94 Å²	94	122.4 Å²	122.4	78%	0.777	63%	0.633	S	S	*	*			trans	-130.2	63.5	165.7	0	0	0	0	0	110.7
887	T	44.5	Very low	53	Low	117 Å²	117	118.8 Å²	118.8	72%	0.718	62%	0.617	S	S	*	*			trans	34.6	89.6	161.1	56.4	0	0	0	0	116.7	V889	T887-V889 PolarHBondContact O-N 3.35Å
888	R	51.8	Low	55.7	Low	229 Å²	229	114.5 Å²	114.5	86%	0.864	59%	0.589	S	S	*	*			trans	-67.2	97.4	161.9	-72.3	-174.2	179.2	-176.6	1.5	109.6
889	V	62.1	Low	58.6	Low	73 Å²	73	114 Å²	114	44%	0.442	57%	0.566	S	S	.	*			trans	-69.7	126.5	175.1	-177.8	0	0	0	0	109.1	T887 D893 R894	T887-V889 PolarHBondContact O-N 3.35Å; V889-D893 HydrophobicContact CG1-CB 3.69Å; V889-R894 HydrophobicContact CB-CG 4.19Å; V889-R894 HydrophobicContact CG1-CG 3.95Å
890	P	73.6	Confident	61.4	Low	72 Å²	72	107.5 Å²	107.5	47%	0.468	54%	0.544	S	S	.	.			trans	-54.3	148.7	178.1	-27.9	35.7	0	0	0	113.1	D892 D893 R894	P890-D892 PolarHBondContact O-N 3.24Å; P890-D892 VanDerWaalsContact O-N 3.15Å; P890-D893 PolarHBondContact O-N 3.39Å; P890-R894 WeakPolarHBondContact O-CG 3.29Å; P890-R894 PolarHBondContact O-N 2.85Å
891	I	72.6	Confident	64	Low	75 Å²	75	102.4 Å²	102.4	39%	0.385	52%	0.519	S	S	.	.	H	α-helix	trans	-54.3	-35.9	175.6	-64.9	174.5	0	0	0	110.8	R894 L895 L1179 R1183	I891-R894 PolarHBondContact O-N 2.92Å; I891-L895 WeakPolarHBondContact O-CB 3.21Å; I891-L895 PolarHBondContact O-N 3.33Å; I891-L1179 HydrophobicContact CG2-CD2 4.05Å; I891-R1183 HydrophobicContact CG2-CG 4.42Å
892	D	74.1	Confident	66.8	Low	76 Å²	76	96 Å²	96	41%	0.406	49%	0.485	S	S	.	.	H	α-helix	trans	-59.8	-44.6	174.9	-85.9	41.6	0	0	0	113.8	P890 R896 R1183	P890-D892 PolarHBondContact O-N 3.24Å; P890-D892 VanDerWaalsContact O-N 3.15Å; D892-R896 VanDerWaalsContact O-CB 3.26Å; D892-R896 WeakPolarHBondContact O-CB 3.34Å; D892-R896 PolarHBondContact O-N 3.01Å; D892-R1183 IonicContact OD1-CZ 3.31Å; D892-R1183 IonicContact OD1-NE 3.45Å; D892-R1183 PolarHBondContact OD1-NE 3.4Å; D892-R1183 IonicContact OD1-NH2 2.8Å; D892-R1183 PolarHBondContact OD1-NH2 2.82Å; D892-R1183 IonicContact OD2-NH2 2.69Å; D892-R1183 PolarHBondContact OD2-NH2 3.22Å
893	D	81.7	Confident	68.9	Low	61 Å²	61	98.8 Å²	98.8	33%	0.326	49%	0.488	S	S	.	.	H	α-helix	trans	-77.6	-31.9	178.7	-66.6	-43.4	0	0	0	111.4	V889 P890 R896 A897	V889-D893 HydrophobicContact CG1-CB 3.69Å; P890-D893 PolarHBondContact O-N 3.39Å; D893-R896 PolarHBondContact O-N 3.23Å; D893-R896 IonicContact OD1-CZ 2.79Å; D893-R896 VanDerWaalsContact OD1-CZ 3.32Å; D893-R896 IonicContact OD1-NH1 3.86Å; D893-R896 PolarHBondContact OD1-NH1 2.98Å; D893-R896 IonicContact OD1-NH2 2.75Å; D893-A897 VanDerWaalsContact O-CB 3.22Å; D893-A897 WeakPolarHBondContact O-CB 3.24Å; D893-A897 PolarHBondContact O-N 3.42Å
894	R	81.3	Confident	71.1	Confident	27 Å²	27	92.4 Å²	92.4	10%	0.102	47%	0.468	C	S	.	.	H	α-helix	trans	-61.4	-47.7	169.2	-65.5	171.3	99.1	-155.8	5.1	110.6	V889 P890 I891 A897 L898 C1138 L1139 N1142 E1143 L1179	V889-R894 HydrophobicContact CB-CG 4.19Å; V889-R894 HydrophobicContact CG1-CG 3.95Å; P890-R894 WeakPolarHBondContact O-CG 3.29Å; P890-R894 PolarHBondContact O-N 2.85Å; I891-R894 PolarHBondContact O-N 2.92Å; R894-A897 PolarHBondContact O-N 2.96Å; R894-L898 WeakPolarHBondContact O-CG 3.34Å; R894-L898 PolarHBondContact O-N 3.37Å; R894-C1138 PolarHBondContact NH2-O 2.99Å; R894-L1139 PolarHBondContact NH1-O 3.33Å; R894-N1142 PolarHBondContact NH1-OD1 2.89Å; R894-N1142 VanDerWaalsContact NH1-OD1 3.12Å; R894-E1143 PolarHBondContact NH2-O 3.22Å; R894-L1179 HydrophobicContact CB-CD1 4.36Å
895	L	85.3	Confident	72.8	Confident	8 Å²	8	85.1 Å²	85.1	4%	0.042	45%	0.445	C	S	.	.	H	α-helix	trans	-63.9	-45.5	175.8	-179.3	62	0	0	0	111.5	I891 A897 L898 K899 V1176 L1179 Q1180	I891-L895 WeakPolarHBondContact O-CB 3.21Å; I891-L895 PolarHBondContact O-N 3.33Å; L895-A897 VanDerWaalsContact C-N 3.32Å; L895-A897 PolarHBondContact O-N 3.33Å; L895-L898 PolarHBondContact O-N 2.87Å; L895-K899 HydrophobicContact CD1-CD 4.42Å; L895-K899 HydrophobicContact CD1-CG 4.22Å; L895-K899 HydrophobicContact CG-CD 4.47Å; L895-K899 WeakPolarHBondContact O-CB 3.2Å; L895-K899 WeakPolarHBondContact O-CG 3.48Å; L895-K899 PolarHBondContact O-N 3.24Å; L895-V1176 HydrophobicContact CD1-CB 4.43Å; L895-V1176 HydrophobicContact CD1-CG1 4.08Å; L895-V1176 HydrophobicContact CD1-CG2 4.42Å; L895-L1179 HydrophobicContact CB-CD1 3.91Å; L895-L1179 HydrophobicContact CD1-CB 3.92Å; L895-L1179 HydrophobicContact CD1-CD1 4.23Å; L895-Q1180 HydrophobicContact CD1-CG 4.37Å; L895-Q1180 HydrophobicContact CD2-CG 4.21Å
896	R	85	Confident	74.8	Confident	152 Å²	152	81 Å²	81	57%	0.574	42%	0.421	S	S	*	.	H	α-helix	trans	-61.3	-40.5	178.1	-164.7	-175.3	-58.5	131.5	11.9	111.3	D892 D893 K900	D892-R896 VanDerWaalsContact O-CB 3.26Å; D892-R896 WeakPolarHBondContact O-CB 3.34Å; D892-R896 PolarHBondContact O-N 3.01Å; D893-R896 PolarHBondContact O-N 3.23Å; D893-R896 IonicContact OD1-CZ 2.79Å; D893-R896 VanDerWaalsContact OD1-CZ 3.32Å; D893-R896 IonicContact OD1-NH1 3.86Å; D893-R896 PolarHBondContact OD1-NH1 2.98Å; D893-R896 IonicContact OD1-NH2 2.75Å; R896-K900 WeakPolarHBondContact O-CB 3.4Å; R896-K900 PolarHBondContact O-N 3.12Å
897	A	86.3	Confident	77.1	Confident	56 Å²	56	76.9 Å²	76.9	46%	0.463	39%	0.386	S	S	.	.	H	α-helix	trans	-66.3	-42.2	176.3	0	0	0	0	0	112.9	D893 R894 L895 K901	D893-A897 VanDerWaalsContact O-CB 3.22Å; D893-A897 WeakPolarHBondContact O-CB 3.24Å; D893-A897 PolarHBondContact O-N 3.42Å; R894-A897 PolarHBondContact O-N 2.96Å; L895-A897 VanDerWaalsContact C-N 3.32Å; L895-A897 PolarHBondContact O-N 3.33Å; A897-K901 PolarHBondContact O-N 3.17Å
898	L	88.1	Confident	79.2	Confident	11 Å²	11	76.6 Å²	76.6	6%	0.058	38%	0.375	C	S	.	.	H	α-helix	trans	-66	-43.8	176.4	-69.9	175.5	0	0	0	112	R894 L895 L902 L1139 V1145 Y1172 L1175 V1176 L1179	R894-L898 WeakPolarHBondContact O-CG 3.34Å; R894-L898 PolarHBondContact O-N 3.37Å; L895-L898 PolarHBondContact O-N 2.87Å; L898-L902 WeakPolarHBondContact O-CB 3.43Å; L898-L902 PolarHBondContact O-N 2.97Å; L898-L1139 HydrophobicContact CD1-CD2 4.42Å; L898-V1145 HydrophobicContact CD2-CG1 4.37Å; L898-Y1172 HydrophobicContact CD2-CD1 3.94Å; L898-Y1172 HydrophobicContact CD2-CE1 3.58Å; L898-L1175 HydrophobicContact CD1-CB 4.21Å; L898-V1176 HydrophobicContact CB-CG2 3.73Å; L898-L1179 HydrophobicContact CD1-CD1 4Å
899	K	87.9	Confident	80.9	Confident	64 Å²	64	69.4 Å²	69.4	28%	0.278	36%	0.357	S	S	.	.	H	α-helix	trans	-63.3	-47.4	174.1	-74.7	-164.6	175.8	-163.7	0	112.1	L895 K901 L902 E903 V1176	L895-K899 HydrophobicContact CD1-CD 4.42Å; L895-K899 HydrophobicContact CD1-CG 4.22Å; L895-K899 HydrophobicContact CG-CD 4.47Å; L895-K899 WeakPolarHBondContact O-CB 3.2Å; L895-K899 WeakPolarHBondContact O-CG 3.48Å; L895-K899 PolarHBondContact O-N 3.24Å; K899-K901 PolarHBondContact O-N 2.99Å; K899-L902 CarbonylContact O-C 3.59Å; K899-L902 WeakPolarHBondContact O-CA 3.28Å; K899-L902 WeakPolarHBondContact O-CB 3.22Å; K899-L902 PolarHBondContact O-N 3.06Å; K899-E903 WeakPolarHBondContact O-CB 3.36Å; K899-E903 WeakPolarHBondContact O-CG 3.47Å; K899-E903 PolarHBondContact O-N 3.33Å; K899-V1176 HydrophobicContact CD-CG1 4.34Å; K899-V1176 VanDerWaalsContact CE-CG1 3.44Å; K899-V1176 HydrophobicContact CG-CG1 3.88Å; K899-V1176 HydrophobicContact CG-CG2 4.06Å
900	K	87.3	Confident	82.3	Confident	108 Å²	108	67.4 Å²	67.4	47%	0.47	34%	0.343	S	S	.	.	H	α-helix	trans	-55.4	-47.2	176.9	-177.9	174	-177.3	-179.4	0	112.2	R896 L902 E903 E904	R896-K900 WeakPolarHBondContact O-CB 3.4Å; R896-K900 PolarHBondContact O-N 3.12Å; K900-L902 VanDerWaalsContact C-N 3.26Å; K900-L902 PolarHBondContact O-N 3.04Å; K900-E903 PolarHBondContact O-N 2.96Å; K900-E904 WeakPolarHBondContact CE-OE1 3.47Å; K900-E904 WeakPolarHBondContact CE-OE2 3.48Å; K900-E904 HydrophobicContact CG-CG 4.12Å; K900-E904 VanDerWaalsContact CG-OE2 3.26Å; K900-E904 WeakPolarHBondContact CG-OE2 3.38Å; K900-E904 IonicContact NZ-OE1 2.61Å; K900-E904 WeakPolarHBondContact O-CB 3.36Å; K900-E904 WeakPolarHBondContact O-CG 3.16Å; K900-E904 PolarHBondContact O-N 3.26Å
901	K	84.3	Confident	83.3	Confident	71 Å²	71	64.6 Å²	64.6	31%	0.309	32%	0.323	S	S	.	.	H	α-helix	trans	-58.2	-36.1	174.1	-82.4	-167.5	170	-166.3	0	113.5	A897 K899 M906 V907 E910 Y1172	A897-K901 PolarHBondContact O-N 3.17Å; K899-K901 PolarHBondContact O-N 2.99Å; K901-M906 HydrophobicContact CG-CE 4.12Å; K901-M906 PolarHBondContact O-N 3.07Å; K901-V907 HydrophobicContact CB-CG1 4.44Å; K901-E910 IonicContact NZ-OE2 2.67Å; K901-E910 PolarHBondContact NZ-OE2 3.35Å; K901-Y1172 HydrophobicContact CB-CE1 4.1Å; K901-Y1172 HydrophobicContact CD-CE1 4.04Å
902	L	85.3	Confident	84.2	Confident	30 Å²	30	66.7 Å²	66.7	16%	0.157	33%	0.331	C	S	.	.	H	α-helix	trans	-76.9	-34.5	-178.2	-172.5	64.9	0	0	0	112.8	L898 K899 K900 K1169 Q1173	L898-L902 WeakPolarHBondContact O-CB 3.43Å; L898-L902 PolarHBondContact O-N 2.97Å; K899-L902 CarbonylContact O-C 3.59Å; K899-L902 WeakPolarHBondContact O-CA 3.28Å; K899-L902 WeakPolarHBondContact O-CB 3.22Å; K899-L902 PolarHBondContact O-N 3.06Å; K900-L902 VanDerWaalsContact C-N 3.26Å; K900-L902 PolarHBondContact O-N 3.04Å; L902-K1169 HydrophobicContact CD1-CD 4.08Å; L902-K1169 VanDerWaalsContact CD1-CE 3.45Å; L902-K1169 HydrophobicContact CD1-CG 3.42Å; L902-K1169 VanDerWaalsContact CD1-CG 3.42Å; L902-Q1173 HydrophobicContact CD1-CG 4.47Å; L902-Q1173 HydrophobicContact CD2-CG 4.03Å
903	E	80.1	Confident	85.2	Confident	149 Å²	149	69.7 Å²	69.7	70%	0.696	34%	0.343	S	S	*	.	H	α-helix	trans	-82.9	-43.2	-178.5	-71.5	162.2	-164.9	0	0	112.1	K899 K900 G905	K899-E903 WeakPolarHBondContact O-CB 3.36Å; K899-E903 WeakPolarHBondContact O-CG 3.47Å; K899-E903 PolarHBondContact O-N 3.33Å; K900-E903 PolarHBondContact O-N 2.96Å; E903-G905 PolarHBondContact O-N 2.69Å; E903-G905 VanDerWaalsContact O-N 3.13Å
904	E	76.9	Confident	85.8	Confident	106 Å²	106	67.1 Å²	67.1	50%	0.495	33%	0.329	S	S	.	.	S	Bend	trans	-74.5	4.6	177.7	-65.9	-178.4	148.4	0	0	113.6	K900 M906	K900-E904 WeakPolarHBondContact CE-OE1 3.47Å; K900-E904 WeakPolarHBondContact CE-OE2 3.48Å; K900-E904 HydrophobicContact CG-CG 4.12Å; K900-E904 VanDerWaalsContact CG-OE2 3.26Å; K900-E904 WeakPolarHBondContact CG-OE2 3.38Å; K900-E904 IonicContact NZ-OE1 2.61Å; K900-E904 WeakPolarHBondContact O-CB 3.36Å; K900-E904 WeakPolarHBondContact O-CG 3.16Å; K900-E904 PolarHBondContact O-N 3.26Å; E904-M906 HydrophobicContact CB-CE 4.34Å; E904-M906 HydrophobicContact CB-CG 4.13Å; E904-M906 PolarHBondContact O-N 2.86Å; E904-M906 WeakPolarHBondContact OE2-CE 3.4Å
905	G	67	Low	86.5	Confident	40 Å²	40	68.8 Å²	68.8	41%	0.412	34%	0.343	S	S	.	.	S	Bend	trans	69.9	-3	178.3	0	0	0	0	0	115.6	E903 V907 F908	E903-G905 PolarHBondContact O-N 2.69Å; E903-G905 VanDerWaalsContact O-N 3.13Å; G905-V907 PolarHBondContact O-N 3.45Å; G905-F908 PolarHBondContact O-N 2.87Å
906	M	78.1	Confident	86.9	Confident	83 Å²	83	72 Å²	72	41%	0.409	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.7	-174.3	-66.7	-164.8	-66.8	0	0	114.1	K901 E904 F908 T909 E910	K901-M906 HydrophobicContact CG-CE 4.12Å; K901-M906 PolarHBondContact O-N 3.07Å; E904-M906 HydrophobicContact CB-CE 4.34Å; E904-M906 HydrophobicContact CB-CG 4.13Å; E904-M906 PolarHBondContact O-N 2.86Å; E904-M906 WeakPolarHBondContact OE2-CE 3.4Å; M906-F908 PolarHBondContact O-N 3.34Å; M906-F908 VanDerWaalsContact O-N 3.17Å; M906-T909 PolarHBondContact O-N 3.33Å; M906-E910 WeakPolarHBondContact O-CB 3.28Å; M906-E910 PolarHBondContact O-N 3.04Å
907	V	86.2	Confident	87.3	Confident	6 Å²	6	69.9 Å²	69.9	4%	0.036	36%	0.356	C	S	.	.	H	α-helix	trans	-55.4	-25.8	172.7	-69.1	0	0	0	0	114.3	K901 G905 Y911 I1165 Y1168 Y1172	K901-V907 HydrophobicContact CB-CG1 4.44Å; G905-V907 PolarHBondContact O-N 3.45Å; V907-Y911 VanDerWaalsContact O-CB 3.28Å; V907-Y911 WeakPolarHBondContact O-CB 3.32Å; V907-Y911 PolarHBondContact O-N 2.98Å; V907-Y911 VanDerWaalsContact O-N 3.13Å; V907-I1165 HydrophobicContact CG2-CD1 4.48Å; V907-I1165 VanDerWaalsContact O-CD1 3.29Å; V907-I1165 WeakPolarHBondContact O-CD1 3.49Å; V907-Y1168 HydrophobicContact CB-CD1 4.44Å; V907-Y1172 HydrophobicContact CG1-CD1 4.24Å; V907-Y1172 HydrophobicContact CG1-CD2 3.79Å; V907-Y1172 HydrophobicContact CG1-CE1 4.31Å; V907-Y1172 HydrophobicContact CG1-CE2 3.88Å; V907-Y1172 HydrophobicContact CG1-CG 3.99Å
908	F	87.6	Confident	87.6	Confident	111 Å²	111	70 Å²	70	49%	0.487	35%	0.346	S	S	.	.	H	α-helix	trans	-69.4	-56.7	174	177	-94.6	0	0	0	111.2	G905 M906 E910 Y911 E912 I1165	G905-F908 PolarHBondContact O-N 2.87Å; M906-F908 PolarHBondContact O-N 3.34Å; M906-F908 VanDerWaalsContact O-N 3.17Å; F908-E910 VanDerWaalsContact C-N 3.26Å; F908-E910 PolarHBondContact O-N 3.11Å; F908-Y911 PolarHBondContact O-N 3.18Å; F908-Y911 VanDerWaalsContact O-N 3.13Å; F908-E912 HydrophobicContact CE1-CG 4.05Å; F908-E912 HydrophobicContact CE2-CG 4.11Å; F908-E912 HydrophobicContact CZ-CG 3.83Å; F908-E912 PolarHBondContact O-N 2.77Å; F908-E912 VanDerWaalsContact O-N 3.08Å; F908-I1165 HydrophobicContact CB-CD1 4.38Å; F908-I1165 HydrophobicContact CD2-CB 4.48Å; F908-I1165 HydrophobicContact CD2-CG1 4.13Å
909	T	88.4	Confident	87.6	Confident	79 Å²	79	74.1 Å²	74.1	49%	0.485	38%	0.381	S	S	.	.	H	α-helix	trans	-60.7	-37.4	179.6	-48.2	0	0	0	0	111.7	M906 Q913	M906-T909 PolarHBondContact O-N 3.33Å; T909-Q913 VanDerWaalsContact O-CG 3.23Å; T909-Q913 WeakPolarHBondContact O-CG 3.42Å; T909-Q913 PolarHBondContact O-N 3.49Å
910	E	91.4	Very high	87.7	Confident	30 Å²	30	78 Å²	78	14%	0.14	41%	0.405	C	S	.	.	H	α-helix	trans	-64.5	-43	175.3	-170.2	-174.3	83.1	0	0	112.1	K901 M906 F908 Q913 I914 P1148 Y1168 Y1172	K901-E910 IonicContact NZ-OE2 2.67Å; K901-E910 PolarHBondContact NZ-OE2 3.35Å; M906-E910 WeakPolarHBondContact O-CB 3.28Å; M906-E910 PolarHBondContact O-N 3.04Å; F908-E910 VanDerWaalsContact C-N 3.26Å; F908-E910 PolarHBondContact O-N 3.11Å; E910-Q913 PolarHBondContact O-N 3.02Å; E910-I914 WeakPolarHBondContact O-CG1 3.48Å; E910-P1148 HydrophobicContact CG-CB 3.79Å; E910-P1148 HydrophobicContact CG-CG 3.96Å; E910-Y1168 VanDerWaalsContact OE1-CE1 3.31Å; E910-Y1168 WeakPolarHBondContact OE1-CE1 3.38Å; E910-Y1168 PolarHBondContact OE1-OH 3.39Å; E910-Y1172 PolarHBondContact OE1-OH 2.86Å; E910-Y1172 VanDerWaalsContact OE1-OH 3.11Å
911	Y	94.1	Very high	87.8	Confident	13 Å²	13	73.4 Å²	73.4	5%	0.051	39%	0.389	C	S	.	.	H	α-helix	trans	-65.5	-47.3	179.2	178	-101.2	0	0	0	112.8	V907 F908 Q913 I914 L1151 R1155 I1162 Q1163 T1164 I1165 Y1168	V907-Y911 VanDerWaalsContact O-CB 3.28Å; V907-Y911 WeakPolarHBondContact O-CB 3.32Å; V907-Y911 PolarHBondContact O-N 2.98Å; V907-Y911 VanDerWaalsContact O-N 3.13Å; F908-Y911 PolarHBondContact O-N 3.18Å; F908-Y911 VanDerWaalsContact O-N 3.13Å; Y911-Q913 PolarHBondContact O-N 2.78Å; Y911-I914 PolarHBondContact O-N 2.82Å; Y911-I914 VanDerWaalsContact O-N 3.1Å; Y911-L1151 HydrophobicContact CD2-CD2 4.37Å; Y911-L1151 HydrophobicContact CE2-CD2 4.38Å; Y911-R1155 VanDerWaalsContact CE2-NH2 3.29Å; Y911-R1155 PolarHBondContact OH-NH2 2.92Å; Y911-I1162 HydrophobicContact CE2-CG2 3.9Å; Y911-I1162 PolarHBondContact OH-O 2.6Å; Y911-Q1163 PolarHBondContact OH-O 3.08Å; Y911-T1164 PolarHBondContact OH-N 3.2Å; Y911-I1165 HydrophobicContact CD1-CB 4.36Å; Y911-I1165 HydrophobicContact CG-CD1 4.31Å; Y911-Y1168 AromaticContact CD2-CD1 3.98Å; Y911-Y1168 HydrophobicContact CD2-CD1 3.98Å; Y911-Y1168 AromaticContact CD2-CD2 3.95Å; Y911-Y1168 HydrophobicContact CD2-CD2 3.95Å; Y911-Y1168 AromaticContact CD2-CG 3.57Å; Y911-Y1168 HydrophobicContact CD2-CG 3.57Å; Y911-Y1168 HydrophobicContact CE2-CG 4.39Å; Y911-Y1168 HydrophobicContact CG-CD1 4.27Å; Y911-Y1168 HydrophobicContact CG-CG 4.27Å
912	E	92.4	Very high	88.3	Confident	120 Å²	120	73.7 Å²	73.7	56%	0.561	40%	0.396	S	S	*	.	H	α-helix	trans	-65.6	-24.5	-178.8	-66.5	-63.4	126.3	0	0	112.7	F908 I914	F908-E912 HydrophobicContact CE1-CG 4.05Å; F908-E912 HydrophobicContact CE2-CG 4.11Å; F908-E912 HydrophobicContact CZ-CG 3.83Å; F908-E912 PolarHBondContact O-N 2.77Å; F908-E912 VanDerWaalsContact O-N 3.08Å; E912-I914 VanDerWaalsContact C-N 3.32Å; E912-I914 PolarHBondContact O-N 3.35Å
913	Q	93.9	Very high	88.8	Confident	138 Å²	138	76 Å²	76	65%	0.645	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-10.7	174.8	-75.1	176.6	8.6	0	0	114.3	T909 E910 Y911 P915	T909-Q913 VanDerWaalsContact O-CG 3.23Å; T909-Q913 WeakPolarHBondContact O-CG 3.42Å; T909-Q913 PolarHBondContact O-N 3.49Å; E910-Q913 PolarHBondContact O-N 3.02Å; Y911-Q913 PolarHBondContact O-N 2.78Å; Q913-P915 WeakPolarHBondContact O-CD 3.17Å
914	I	95.5	Very high	89.5	Confident	7 Å²	7	71.9 Å²	71.9	4%	0.036	39%	0.393	C	S	.	.	S	Bend	trans	-87	119.1	179.2	-58.9	163.8	0	0	0	108.6	E910 Y911 E912 N916 P1148 L1151 R1152 R1155 Y1168	E910-I914 WeakPolarHBondContact O-CG1 3.48Å; Y911-I914 PolarHBondContact O-N 2.82Å; Y911-I914 VanDerWaalsContact O-N 3.1Å; E912-I914 VanDerWaalsContact C-N 3.32Å; E912-I914 PolarHBondContact O-N 3.35Å; I914-N916 PolarHBondContact O-N 3.35Å; I914-P1148 HydrophobicContact CD1-CB 3.74Å; I914-P1148 HydrophobicContact CG1-CB 4.22Å; I914-L1151 HydrophobicContact CD1-CB 4.27Å; I914-L1151 HydrophobicContact CD1-CD2 3.88Å; I914-L1151 HydrophobicContact CD1-CG 4.33Å; I914-L1151 HydrophobicContact CG2-CG 4.45Å; I914-R1152 HydrophobicContact CG2-CB 4.19Å; I914-R1155 PolarHBondContact O-NH1 2.79Å; I914-Y1168 HydrophobicContact CD1-CE2 4.41Å
915	P	95.6	Very high	90.5	Very high	63 Å²	63	67.8 Å²	67.8	41%	0.409	38%	0.375	S	S	.	.			trans	-53.3	137.4	175.9	-26.8	35.3	0	0	0	111.5	Q913 K917 R1155	Q913-P915 WeakPolarHBondContact O-CD 3.17Å; P915-K917 VanDerWaalsContact C-N 3.3Å; P915-K917 PolarHBondContact O-N 3.39Å; P915-R1155 WeakPolarHBondContact O-CD 3.4Å; P915-R1155 PolarHBondContact O-NH1 3.43Å
916	N	93.5	Very high	91.8	Very high	75 Å²	75	66.2 Å²	66.2	40%	0.401	36%	0.358	S	S	.	.	S	Bend	trans	-73.6	-21.8	-178.3	-85	-52.5	0	0	0	113.4	I914 R1155 F1160	I914-N916 PolarHBondContact O-N 3.35Å; N916-R1155 PolarHBondContact OD1-NH1 2.94Å; N916-R1155 PolarHBondContact OD1-NH2 3.03Å; N916-F1160 HydrophobicContact CB-CD1 3.77Å; N916-F1160 HydrophobicContact CB-CE1 3.7Å; N916-F1160 PolarHBondContact O-N 2.73Å
917	K	93.8	Very high	92.6	Very high	108 Å²	108	66.2 Å²	66.2	47%	0.47	36%	0.363	S	S	.	.	S	Bend	trans	-153.2	161.4	178	62.3	176.5	-177.9	173.7	0	110.6	P915 Y943 M1159	P915-K917 VanDerWaalsContact C-N 3.3Å; P915-K917 PolarHBondContact O-N 3.39Å; K917-Y943 WeakPolarHBondContact CA-OH 3.33Å; K917-M1159 HydrophobicContact CB-CB 3.73Å
918	K	92.7	Very high	93.1	Very high	59 Å²	59	69.1 Å²	69.1	26%	0.257	38%	0.378	S	S	.	.			trans	-55.6	130.9	168.4	-177.9	165.7	-171	178.6	0	110.3	N920 G921 Y943 E945 E1156	K918-N920 PolarHBondContact O-N 2.92Å; K918-G921 PolarHBondContact O-N 3.14Å; K918-Y943 HydrophobicContact CB-CE1 3.96Å; K918-Y943 HydrophobicContact CB-CE2 4.31Å; K918-Y943 PolarHBondContact N-OH 3.2Å; K918-E945 IonicContact NZ-OE1 2.73Å; K918-E945 PolarHBondContact NZ-OE1 3.04Å; K918-E1156 WeakPolarHBondContact CA-OE1 3.44Å; K918-E1156 WeakPolarHBondContact CD-OE2 3.33Å; K918-E1156 WeakPolarHBondContact CG-OE2 3.39Å
919	A	88.4	Confident	93.5	Very high	97 Å²	97	69.2 Å²	69.2	80%	0.802	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-45.6	-175.7	0	0	0	0	0	112.2
920	N	89.9	Confident	93.7	Very high	144 Å²	144	70 Å²	70	77%	0.77	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	38	-178.2	-59	-2.7	0	0	0	111.4	K918	K918-N920 PolarHBondContact O-N 2.92Å
921	G	89.3	Confident	93.9	Very high	13 Å²	13	68.5 Å²	68.5	13%	0.134	38%	0.381	C	S	.	.			trans	-71.9	126	-180	0	0	0	0	0	112	K918 F923	K918-G921 PolarHBondContact O-N 3.14Å; G921-F923 WeakPolarHBondContact O-CD1 3.38Å; G921-F923 VanDerWaalsContact O-CE1 3.25Å; G921-F923 WeakPolarHBondContact O-CE1 3.39Å
922	V	95.1	Very high	93.9	Very high	77 Å²	77	69.3 Å²	69.3	47%	0.467	39%	0.39	S	S	.	.			trans	-90.6	147.8	176.5	-177	0	0	0	0	109.5	Y943 E944	V922-Y943 CarbonylContact O-C 3.45Å; V922-Y943 WeakPolarHBondContact O-CA 3.48Å; V922-E944 HydrophobicContact CB-CB 4.2Å; V922-E944 HydrophobicContact CG1-CB 3.97Å; V922-E944 PolarHBondContact O-N 3.3Å
923	F	94.8	Very high	94.1	Very high	77 Å²	77	70.3 Å²	70.3	34%	0.338	40%	0.395	S	S	.	.			trans	-154.8	32.1	-175.6	42.5	-110.1	0	0	0	112.6	G921 T925 A926 T927 V941	G921-F923 WeakPolarHBondContact O-CD1 3.38Å; G921-F923 VanDerWaalsContact O-CE1 3.25Å; G921-F923 WeakPolarHBondContact O-CE1 3.39Å; F923-T925 PolarHBondContact O-N 3.29Å; F923-A926 HydrophobicContact CB-CB 4.43Å; F923-A926 PolarHBondContact O-N 3.46Å; F923-A926 VanDerWaalsContact O-N 3.16Å; F923-T927 HydrophobicContact CD2-CG2 3.42Å; F923-T927 VanDerWaalsContact CD2-CG2 3.42Å; F923-T927 HydrophobicContact CE2-CG2 3.82Å; F923-T927 HydrophobicContact CG-CG2 4.44Å; F923-T927 PolarHBondContact O-N 3.47Å; F923-T927 PolarHBondContact O-OG1 2.74Å; F923-V941 HydrophobicContact CB-CG2 4.06Å; F923-V941 HydrophobicContact CG-CG2 4.46Å
924	S	95.6	Very high	94.2	Very high	63 Å²	63	65.4 Å²	65.4	44%	0.441	37%	0.37	S	S	.	.	H	α-helix	trans	-46.7	-58.9	-175.2	21.3	0	0	0	0	114	A926 T927 L928 E944	S924-A926 VanDerWaalsContact C-N 3.28Å; S924-A926 PolarHBondContact O-N 3.48Å; S924-T927 PolarHBondContact O-N 3.07Å; S924-T927 VanDerWaalsContact O-N 3.15Å; S924-T927 PolarHBondContact O-OG1 3.46Å; S924-T927 VanDerWaalsContact O-OG1 3.06Å; S924-L928 PolarHBondContact O-N 2.94Å; S924-E944 WeakPolarHBondContact CA-OE2 3.35Å; S924-E944 WeakPolarHBondContact CB-OE2 3.49Å; S924-E944 PolarHBondContact N-OE2 2.73Å; S924-E944 VanDerWaalsContact OG-CD 3.31Å; S924-E944 PolarHBondContact OG-OE2 3.39Å
925	T	96.6	Very high	94.2	Very high	20 Å²	20	65.5 Å²	65.5	12%	0.123	37%	0.372	C	S	.	.	H	α-helix	trans	-63.3	-34.5	-178.3	-56.1	0	0	0	0	112	F923 T927 L928 N931 E944 T958 Y960	F923-T925 PolarHBondContact O-N 3.29Å; T925-T927 VanDerWaalsContact C-N 3.32Å; T925-L928 HydrophobicContact CG2-CD1 4.43Å; T925-N931 PolarHBondContact O-ND2 3.05Å; T925-E944 VanDerWaalsContact CB-OE1 3.25Å; T925-E944 WeakPolarHBondContact CB-OE1 3.37Å; T925-E944 PolarHBondContact N-OE2 3.1Å; T925-E944 VanDerWaalsContact OG1-CD 3.31Å; T925-E944 PolarHBondContact OG1-OE1 3.17Å; T925-E944 PolarHBondContact OG1-OE2 2.96Å; T925-T958 HydrophobicContact CG2-CG2 4.46Å; T925-Y960 HydrophobicContact CG2-CD2 4.09Å; T925-Y960 HydrophobicContact CG2-CG 4.49Å
926	A	95.7	Very high	94.2	Very high	7 Å²	7	65 Å²	65	6%	0.058	36%	0.362	C	S	.	.	H	α-helix	trans	-73.6	-23	179	0	0	0	0	0	113.4	F923 S924 V941 Y960	F923-A926 HydrophobicContact CB-CB 4.43Å; F923-A926 PolarHBondContact O-N 3.46Å; F923-A926 VanDerWaalsContact O-N 3.16Å; S924-A926 VanDerWaalsContact C-N 3.28Å; S924-A926 PolarHBondContact O-N 3.48Å; A926-V941 HydrophobicContact CB-CB 3.78Å; A926-V941 HydrophobicContact CB-CG1 3.96Å; A926-V941 HydrophobicContact CB-CG2 4.33Å; A926-Y960 HydrophobicContact CB-CE2 3.56Å
927	T	94.6	Very high	94.2	Very high	84 Å²	84	64.4 Å²	64.4	52%	0.515	36%	0.358	S	S	.	.	H	α-helix	trans	-95.6	-1.5	178.8	41.8	0	0	0	0	114.3	F923 S924 T925	F923-T927 HydrophobicContact CD2-CG2 3.42Å; F923-T927 VanDerWaalsContact CD2-CG2 3.42Å; F923-T927 HydrophobicContact CE2-CG2 3.82Å; F923-T927 HydrophobicContact CG-CG2 4.44Å; F923-T927 PolarHBondContact O-N 3.47Å; F923-T927 PolarHBondContact O-OG1 2.74Å; S924-T927 PolarHBondContact O-N 3.07Å; S924-T927 VanDerWaalsContact O-N 3.15Å; S924-T927 PolarHBondContact O-OG1 3.46Å; S924-T927 VanDerWaalsContact O-OG1 3.06Å; T925-T927 VanDerWaalsContact C-N 3.32Å
928	L	96.3	Very high	94.1	Very high	66 Å²	66	67.5 Å²	67.5	35%	0.346	37%	0.367	S	S	.	.	S	Bend	trans	-60.5	136.8	169.8	-64.8	174.6	0	0	0	110.6	S924 T925 E930 N931 A932 T958	S924-L928 PolarHBondContact O-N 2.94Å; T925-L928 HydrophobicContact CG2-CD1 4.43Å; L928-E930 VanDerWaalsContact C-N 3.25Å; L928-E930 HydrophobicContact CB-CG 4.06Å; L928-E930 PolarHBondContact O-N 2.62Å; L928-E930 VanDerWaalsContact O-N 3.16Å; L928-N931 PolarHBondContact O-N 3.14Å; L928-A932 PolarHBondContact O-N 2.97Å; L928-T958 HydrophobicContact CD1-CG2 3.76Å
929	P	94.9	Very high	94.2	Very high	114 Å²	114	71 Å²	71	74%	0.74	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-54.8	-37.3	-176.7	-29.3	36	0	0	0	114.2	N931 A932	P929-N931 PolarHBondContact O-N 3.05Å; P929-A932 WeakPolarHBondContact O-CB 3.41Å; P929-A932 PolarHBondContact O-N 2.98Å
930	E	93.8	Very high	94.6	Very high	94 Å²	94	66.7 Å²	66.7	44%	0.439	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-61.6	-21.2	175.8	61.8	177.4	-114.6	0	0	114.5	L928 R934 T958	L928-E930 VanDerWaalsContact C-N 3.25Å; L928-E930 HydrophobicContact CB-CG 4.06Å; L928-E930 PolarHBondContact O-N 2.62Å; L928-E930 VanDerWaalsContact O-N 3.16Å; E930-R934 PolarHBondContact O-NH1 2.62Å; E930-T958 WeakPolarHBondContact OE1-CG2 3.47Å; E930-T958 PolarHBondContact OE1-OG1 2.74Å
931	N	96.4	Very high	94.9	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-103.5	-8.9	-177.5	-74.2	-25.7	0	0	0	113.4	T925 L928 P929 E933 R934 T958 Y960	T925-N931 PolarHBondContact O-ND2 3.05Å; L928-N931 PolarHBondContact O-N 3.14Å; P929-N931 PolarHBondContact O-N 3.05Å; N931-E933 PolarHBondContact O-N 3.19Å; N931-R934 PolarHBondContact O-N 3.19Å; N931-R934 VanDerWaalsContact O-N 3.08Å; N931-R934 WeakPolarHBondContact OD1-CD 3.34Å; N931-R934 PolarHBondContact OD1-NH1 3.08Å; N931-T958 PolarHBondContact ND2-OG1 3.25Å; N931-Y960 HydrophobicContact CB-CD1 3.53Å; N931-Y960 HydrophobicContact CB-CE1 3.85Å; N931-Y960 HydrophobicContact CB-CG 4Å; N931-Y960 VanDerWaalsContact ND2-CB 3.3Å; N931-Y960 WeakPolarHBondContact ND2-CB 3.37Å
932	A	94.1	Very high	95.4	Very high	30 Å²	30	59.8 Å²	59.8	25%	0.248	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-61.5	-31.6	175	0	0	0	0	0	112.6	L928 P929	L928-A932 PolarHBondContact O-N 2.97Å; P929-A932 WeakPolarHBondContact O-CB 3.41Å; P929-A932 PolarHBondContact O-N 2.98Å
933	E	95.3	Very high	95.5	Very high	141 Å²	141	56.2 Å²	56.2	66%	0.659	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-82.5	-17.2	175.9	-60.5	-165.3	162.6	0	0	113.5	N931 S935 L984 H986	N931-E933 PolarHBondContact O-N 3.19Å; E933-S935 PolarHBondContact O-N 3.32Å; E933-L984 WeakPolarHBondContact O-CD1 3.38Å; E933-H986 PolarHBondContact O-NE2 3.3Å
934	R	96.6	Very high	95.7	Very high	34 Å²	34	54.4 Å²	54.4	13%	0.128	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-78.4	-7	173.5	-66.8	-173.4	171.4	93.1	12.6	112.7	E930 N931 E955 N956 Y960 Q981 T987	E930-R934 PolarHBondContact O-NH1 2.62Å; N931-R934 PolarHBondContact O-N 3.19Å; N931-R934 VanDerWaalsContact O-N 3.08Å; N931-R934 WeakPolarHBondContact OD1-CD 3.34Å; N931-R934 PolarHBondContact OD1-NH1 3.08Å; R934-E955 PolarHBondContact NH2-O 3Å; R934-N956 PolarHBondContact NE-ND2 3.26Å; R934-Y960 HydrophobicContact CB-CD1 3.85Å; R934-Y960 HydrophobicContact CB-CE1 3.88Å; R934-Y960 HydrophobicContact CG-CD1 4.48Å; R934-Q981 PolarHBondContact O-NE2 3.11Å; R934-T987 HydrophobicContact CB-CG2 4.22Å; R934-T987 HydrophobicContact CG-CG2 4.23Å
935	S	96.1	Very high	95.7	Very high	10 Å²	10	56.4 Å²	56.4	7%	0.07	28%	0.281	C	S	.	.			trans	-108.4	123.7	-179.2	-60.3	0	0	0	0	111.6	E933 I937 Y960 N962	E933-S935 PolarHBondContact O-N 3.32Å; S935-I937 VanDerWaalsContact C-N 3.32Å; S935-I937 PolarHBondContact O-N 3.5Å; S935-Y960 PolarHBondContact OG-OH 3.1Å; S935-Y960 VanDerWaalsContact OG-OH 3.09Å; S935-N962 WeakPolarHBondContact CB-ND2 3.41Å; S935-N962 PolarHBondContact OG-ND2 2.98Å
936	R	95.1	Very high	95.8	Very high	52 Å²	52	56.6 Å²	56.6	20%	0.196	28%	0.281	C	S	.	.	S	Bend	trans	-68.6	-30.3	-179.3	178.4	178.4	-71.7	-84.7	1	112.9	G982 P983 L984 T1015 K1016 S1120	R936-G982 PolarHBondContact NE-O 3.14Å; R936-G982 PolarHBondContact NH2-O 2.96Å; R936-G982 VanDerWaalsContact NH2-O 3.09Å; R936-P983 PolarHBondContact NH2-O 3.26Å; R936-L984 HydrophobicContact CB-CD1 4.44Å; R936-L984 HydrophobicContact CB-CD2 4.04Å; R936-L984 HydrophobicContact CB-CG 4.35Å; R936-L984 HydrophobicContact CG-CD2 4.22Å; R936-T1015 PolarHBondContact NH1-O 2.94Å; R936-T1015 VanDerWaalsContact NH1-O 3.08Å; R936-K1016 WeakPolarHBondContact CD-O 3.48Å; R936-K1016 PolarHBondContact NE-O 2.9Å; R936-K1016 VanDerWaalsContact NE-O 3.13Å; R936-S1120 WeakPolarHBondContact CD-O 3.16Å; R936-S1120 WeakPolarHBondContact CD-OG 3.38Å
937	I	94.3	Very high	95.9	Very high	62 Å²	62	57.8 Å²	57.8	32%	0.318	29%	0.285	S	S	.	.	S	Bend	trans	-130.7	124.4	170.9	-60.9	-165.3	0	0	0	105.2	S935 E939 V940 A1121	S935-I937 VanDerWaalsContact C-N 3.32Å; S935-I937 PolarHBondContact O-N 3.5Å; I937-E939 VanDerWaalsContact C-N 3.27Å; I937-E939 HydrophobicContact CG2-CB 4.29Å; I937-E939 WeakPolarHBondContact CG2-OE2 3.38Å; I937-E939 PolarHBondContact O-N 2.78Å; I937-V940 HydrophobicContact CB-CB 4.33Å; I937-V940 HydrophobicContact CB-CG2 4.35Å; I937-V940 HydrophobicContact CG2-CB 4.26Å; I937-V940 HydrophobicContact CG2-CG2 3.86Å; I937-V940 PolarHBondContact O-N 3.23Å; I937-A1121 HydrophobicContact CD1-CB 3.76Å; I937-A1121 HydrophobicContact CG1-CB 4.17Å
938	R	91.6	Very high	96.1	Very high	174 Å²	174	53.8 Å²	53.8	66%	0.657	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-25.7	-171.8	-69.9	179.4	171.6	-177.7	-3.6	112.2	V940	R938-V940 VanDerWaalsContact C-N 3.3Å
939	E	93.1	Very high	96.2	Very high	132 Å²	132	56.1 Å²	56.1	62%	0.617	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-7.3	-177.6	-55	69.4	-151.7	0	0	112.5	I937 F1160	I937-E939 VanDerWaalsContact C-N 3.27Å; I937-E939 HydrophobicContact CG2-CB 4.29Å; I937-E939 WeakPolarHBondContact CG2-OE2 3.38Å; I937-E939 PolarHBondContact O-N 2.78Å; E939-F1160 WeakPolarHBondContact O-CE2 3.47Å
940	V	96.9	Very high	96.3	Very high	6 Å²	6	51.1 Å²	51.1	4%	0.036	24%	0.236	C	C	.	.			trans	-122.4	98.6	-177.8	-179.7	0	0	0	0	108.9	I937 R938 N962 A1121 V1123 F1160	I937-V940 HydrophobicContact CB-CB 4.33Å; I937-V940 HydrophobicContact CB-CG2 4.35Å; I937-V940 HydrophobicContact CG2-CB 4.26Å; I937-V940 HydrophobicContact CG2-CG2 3.86Å; I937-V940 PolarHBondContact O-N 3.23Å; R938-V940 VanDerWaalsContact C-N 3.3Å; V940-N962 PolarHBondContact O-ND2 3.26Å; V940-N962 PolarHBondContact O-OD1 2.86Å; V940-A1121 HydrophobicContact CG1-CB 4.28Å; V940-V1123 HydrophobicContact CG1-CB 4.34Å; V940-V1123 HydrophobicContact CG1-CG1 3.5Å; V940-V1123 HydrophobicContact CG1-CG2 3.83Å; V940-V1123 HydrophobicContact CG2-CG2 4.44Å; V940-F1160 HydrophobicContact CG2-CD2 4.11Å
941	V	97.8	Very high	96.5	Very high	11 Å²	11	52.1 Å²	52.1	7%	0.067	24%	0.243	C	C	.	.			trans	-127.4	158.8	-176.6	-69.4	0	0	0	0	111.2	F923 A926 M1159	F923-V941 HydrophobicContact CB-CG2 4.06Å; F923-V941 HydrophobicContact CG-CG2 4.46Å; A926-V941 HydrophobicContact CB-CB 3.78Å; A926-V941 HydrophobicContact CB-CG1 3.96Å; A926-V941 HydrophobicContact CB-CG2 4.33Å; V941-M1159 HydrophobicContact CG2-CE 3.59Å; V941-M1159 HydrophobicContact CG2-SD 3.96Å; V941-M1159 PolarHBondContact N-SD 2.96Å; V941-M1159 WeakPolarHBondContact O-CE 3.45Å; V941-M1159 WeakPolarHBondContact O-CG 3.38Å
942	P	98.2	Very high	96.5	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.006	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-66.4	155.7	165.6	31.4	-36.3	0	0	0	111	R947 Y960 A963 S964	P942-R947 HydrophobicContact CB-CB 3.87Å; P942-R947 HydrophobicContact CG-CB 3.94Å; P942-Y960 HydrophobicContact CG-CE2 3.92Å; P942-A963 WeakPolarHBondContact CB-O 3.45Å; P942-S964 WeakPolarHBondContact CA-OG 3.43Å; P942-S964 WeakPolarHBondContact CB-OG 3.39Å
943	Y	98.4	Very high	96.6	Very high	2 Å²	2	56 Å²	56	1%	0.008	27%	0.266	C	S	.	.			trans	-76.5	157.8	162	-49.7	-67.5	0	0	0	109.6	K917 K918 V922 E945 N946 R947 R1155 E1156 Q1157 M1159	K917-Y943 WeakPolarHBondContact CA-OH 3.33Å; K918-Y943 HydrophobicContact CB-CE1 3.96Å; K918-Y943 HydrophobicContact CB-CE2 4.31Å; K918-Y943 PolarHBondContact N-OH 3.2Å; V922-Y943 CarbonylContact O-C 3.45Å; V922-Y943 WeakPolarHBondContact O-CA 3.48Å; Y943-E945 WeakPolarHBondContact CB-OE2 3.31Å; Y943-N946 PolarHBondContact O-OD1 3.34Å; Y943-R947 PolarHBondContact O-N 2.9Å; Y943-R1155 WeakPolarHBondContact CE2-O 3.42Å; Y943-R1155 PolarHBondContact OH-O 2.81Å; Y943-E1156 VanDerWaalsContact CE2-O 3.3Å; Y943-E1156 WeakPolarHBondContact CE2-O 3.43Å; Y943-Q1157 WeakPolarHBondContact CD2-O 3.39Å; Y943-M1159 HydrophobicContact CD1-CE 4.05Å; Y943-M1159 HydrophobicContact CE1-CB 4.38Å; Y943-M1159 HydrophobicContact CE1-CE 3.71Å; Y943-M1159 PolarHBondContact OH-N 3.49Å
944	E	97.8	Very high	96.4	Very high	40 Å²	40	58.7 Å²	58.7	19%	0.187	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-65.3	-44.9	-175.8	-163	70.6	-126.8	0	0	111.8	V922 S924 T925 N946 R947	V922-E944 HydrophobicContact CB-CB 4.2Å; V922-E944 HydrophobicContact CG1-CB 3.97Å; V922-E944 PolarHBondContact O-N 3.3Å; S924-E944 WeakPolarHBondContact CA-OE2 3.35Å; S924-E944 WeakPolarHBondContact CB-OE2 3.49Å; S924-E944 PolarHBondContact N-OE2 2.73Å; S924-E944 VanDerWaalsContact OG-CD 3.31Å; S924-E944 PolarHBondContact OG-OE2 3.39Å; T925-E944 VanDerWaalsContact CB-OE1 3.25Å; T925-E944 WeakPolarHBondContact CB-OE1 3.37Å; T925-E944 PolarHBondContact N-OE2 3.1Å; T925-E944 VanDerWaalsContact OG1-CD 3.31Å; T925-E944 PolarHBondContact OG1-OE1 3.17Å; T925-E944 PolarHBondContact OG1-OE2 2.96Å; E944-N946 PolarHBondContact O-N 3.48Å; E944-R947 WeakPolarHBondContact OE1-CD 3.45Å; E944-R947 IonicContact OE1-CZ 3.01Å; E944-R947 IonicContact OE1-NE 3.79Å; E944-R947 PolarHBondContact OE1-NE 3.29Å
945	E	97	Very high	96.1	Very high	105 Å²	105	64.2 Å²	64.2	49%	0.491	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-66.2	-11.9	-173.4	63.5	-96.3	-137.2	0	0	114.9	K918 Y943	K918-E945 IonicContact NZ-OE1 2.73Å; K918-E945 PolarHBondContact NZ-OE1 3.04Å; Y943-E945 WeakPolarHBondContact CB-OE2 3.31Å
946	N	97.9	Very high	96.1	Very high	23 Å²	23	63.8 Å²	63.8	12%	0.123	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-144.2	18.8	-179.8	80.6	-33.5	0	0	0	114.5	Y943 E944 S964 H965 Q1157	Y943-N946 PolarHBondContact O-OD1 3.34Å; E944-N946 PolarHBondContact O-N 3.48Å; N946-S964 WeakPolarHBondContact O-CA 3.33Å; N946-H965 PolarHBondContact ND2-O 2.99Å; N946-H965 PolarHBondContact O-N 3.32Å; N946-Q1157 PolarHBondContact ND2-O 3.5Å; N946-Q1157 PolarHBondContact OD1-O 2.83Å
947	R	98.2	Very high	96.1	Very high	33 Å²	33	66.2 Å²	66.2	13%	0.125	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	152.5	167.8	72	-179.2	179.5	107.6	2.8	109.8	P942 Y943 E944 E949 T958 A963	P942-R947 HydrophobicContact CB-CB 3.87Å; P942-R947 HydrophobicContact CG-CB 3.94Å; Y943-R947 PolarHBondContact O-N 2.9Å; E944-R947 WeakPolarHBondContact OE1-CD 3.45Å; E944-R947 IonicContact OE1-CZ 3.01Å; E944-R947 IonicContact OE1-NE 3.79Å; E944-R947 PolarHBondContact OE1-NE 3.29Å; R947-E949 HydrophobicContact CG-CG 3.97Å; R947-E949 IonicContact CZ-OE1 2.69Å; R947-E949 VanDerWaalsContact CZ-OE1 3.23Å; R947-E949 IonicContact NE-OE1 2.74Å; R947-E949 PolarHBondContact NE-OE1 3.01Å; R947-E949 IonicContact NH2-OE1 2.62Å; R947-E949 PolarHBondContact NH2-OE1 3.35Å; R947-E949 PolarHBondContact O-N 3.29Å; R947-T958 PolarHBondContact NH1-O 3.11Å; R947-T958 VanDerWaalsContact NH1-O 3.07Å; R947-A963 WeakPolarHBondContact CA-O 3.39Å
948	V	98.5	Very high	96.2	Very high	0 Å²	0	65 Å²	65	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	113.5	166.2	-170.4	0	0	0	0	108	L950 I961 A963 I978 M994 Q998	V948-L950 HydrophobicContact CG1-CD2 4.45Å; V948-I961 HydrophobicContact CB-CG2 4.19Å; V948-A963 HydrophobicContact CB-CB 4.05Å; V948-A963 HydrophobicContact CG2-CB 3.65Å; V948-A963 PolarHBondContact N-O 2.83Å; V948-I978 HydrophobicContact CG2-CD1 4.28Å; V948-I978 HydrophobicContact CG2-CG1 4Å; V948-I978 HydrophobicContact CG2-CG2 3.82Å; V948-M994 HydrophobicContact CB-CG 4.4Å; V948-M994 HydrophobicContact CG1-CG 3.73Å; V948-M994 HydrophobicContact CG1-SD 4.44Å; V948-Q998 HydrophobicContact CG1-CG 3.73Å
949	E	98	Very high	96.4	Very high	114 Å²	114	56.8 Å²	56.8	53%	0.533	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	127.3	174.8	-51.3	-164.2	135.4	0	0	109.4	R947	R947-E949 HydrophobicContact CG-CG 3.97Å; R947-E949 IonicContact CZ-OE1 2.69Å; R947-E949 VanDerWaalsContact CZ-OE1 3.23Å; R947-E949 IonicContact NE-OE1 2.74Å; R947-E949 PolarHBondContact NE-OE1 3.01Å; R947-E949 IonicContact NH2-OE1 2.62Å; R947-E949 PolarHBondContact NH2-OE1 3.35Å; R947-E949 PolarHBondContact O-N 3.29Å
950	L	98.1	Very high	96.7	Very high	9 Å²	9	50.5 Å²	50.5	5%	0.047	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-96.6	154.2	171.1	-53	-175.1	0	0	0	110.3	V948 P952 G959 I961 D990 M994 E997	V948-L950 HydrophobicContact CG1-CD2 4.45Å; L950-P952 VanDerWaalsContact O-CD 3.27Å; L950-P952 WeakPolarHBondContact O-CD 3.5Å; L950-G959 WeakPolarHBondContact CB-O 3.25Å; L950-G959 PolarHBondContact N-O 3.01Å; L950-G959 WeakPolarHBondContact O-CA 3.47Å; L950-I961 HydrophobicContact CD1-CB 4.04Å; L950-I961 HydrophobicContact CD1-CG2 4.01Å; L950-I961 HydrophobicContact CD2-CG2 4.02Å; L950-I961 HydrophobicContact CG-CB 4.45Å; L950-I961 HydrophobicContact CG-CG2 3.91Å; L950-D990 HydrophobicContact CD1-CB 3.93Å; L950-M994 HydrophobicContact CD2-CB 3.65Å; L950-M994 HydrophobicContact CD2-CG 4.01Å; L950-E997 WeakPolarHBondContact CA-OE2 3.41Å
951	I	97.4	Very high	96.8	Very high	115 Å²	115	50.5 Å²	50.5	59%	0.59	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-60.5	120.9	168.7	-60.5	174.8	0	0	0	108.8	Q993 E997	I951-Q993 PolarHBondContact O-NE2 2.86Å; I951-E997 WeakPolarHBondContact CB-OE1 3.41Å; I951-E997 HydrophobicContact CD1-CG 4.39Å; I951-E997 WeakPolarHBondContact CD1-OE1 3.06Å; I951-E997 WeakPolarHBondContact CG1-OE1 3.32Å; I951-E997 PolarHBondContact N-OE2 2.89Å
952	P	97.1	Very high	96.8	Very high	85 Å²	85	50 Å²	50	55%	0.552	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-55.5	146.2	-176.3	-30.6	37.7	0	0	0	114.2	L950 N957	L950-P952 VanDerWaalsContact O-CD 3.27Å; L950-P952 WeakPolarHBondContact O-CD 3.5Å; P952-N957 WeakPolarHBondContact CB-O 3.33Å
953	T	94.5	Very high	96.8	Very high	28 Å²	28	50 Å²	50	17%	0.172	25%	0.249	C	C	.	.			trans	-129.9	163.2	175.5	76.3	0	0	0	0	110.5	E955 N956 N957	T953-E955 PolarHBondContact O-N 3.42Å; T953-E955 VanDerWaalsContact O-N 3.09Å; T953-N956 PolarHBondContact N-O 3.42Å; T953-N956 CarbonylContact O-C 3.6Å; T953-N956 PolarHBondContact O-N 3.26Å; T953-N956 PolarHBondContact OG1-N 2.94Å; T953-N956 VanDerWaalsContact OG1-N 3.08Å; T953-N957 WeakPolarHBondContact O-CA 3.5Å; T953-N957 PolarHBondContact O-N 3.43Å; T953-N957 VanDerWaalsContact O-N 3.12Å; T953-N957 PolarHBondContact O-OD1 3.01Å
954	K	92.2	Very high	96.8	Very high	197 Å²	197	49.9 Å²	49.9	86%	0.857	25%	0.248	S	C	*	.	S	Bend	trans	-57.8	-24.9	178.7	-172.3	178.3	178.6	-176.5	0	113.6
955	E	90.3	Very high	96.9	Very high	149 Å²	149	49.6 Å²	49.6	70%	0.696	25%	0.247	S	C	*	.	S	Bend	trans	-92.9	-29.5	177.2	-69.6	165.7	-138.4	0	0	111.8	R934 T953	R934-E955 PolarHBondContact NH2-O 3Å; T953-E955 PolarHBondContact O-N 3.42Å; T953-E955 VanDerWaalsContact O-N 3.09Å
956	N	95.9	Very high	96.9	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.011	22%	0.223	C	C	.	.			trans	-126.7	74.3	179.9	-168.9	-11.4	0	0	0	110.2	R934 T953 T958 G959 Y960 D990	R934-N956 PolarHBondContact NE-ND2 3.26Å; T953-N956 PolarHBondContact N-O 3.42Å; T953-N956 CarbonylContact O-C 3.6Å; T953-N956 PolarHBondContact O-N 3.26Å; T953-N956 PolarHBondContact OG1-N 2.94Å; T953-N956 VanDerWaalsContact OG1-N 3.08Å; N956-T958 PolarHBondContact O-N 3.04Å; N956-G959 PolarHBondContact O-N 2.89Å; N956-G959 PolarHBondContact OD1-N 2.82Å; N956-Y960 PolarHBondContact ND2-N 3.33Å; N956-Y960 PolarHBondContact ND2-O 2.94Å; N956-Y960 PolarHBondContact OD1-N 3.41Å; N956-D990 PolarHBondContact ND2-OD1 3.35Å
957	N	95.6	Very high	96.9	Very high	102 Å²	102	47.6 Å²	47.6	55%	0.545	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-22	-172.1	-59	-67.3	0	0	0	113.3	P952 T953	P952-N957 WeakPolarHBondContact CB-O 3.33Å; T953-N957 WeakPolarHBondContact O-CA 3.5Å; T953-N957 PolarHBondContact O-N 3.43Å; T953-N957 VanDerWaalsContact O-N 3.12Å; T953-N957 PolarHBondContact O-OD1 3.01Å
958	T	95.3	Very high	96.8	Very high	37 Å²	37	46.2 Å²	46.2	23%	0.227	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	1.6	179.9	42.4	0	0	0	0	113.6	T925 L928 E930 N931 R947 N956 Y960	T925-T958 HydrophobicContact CG2-CG2 4.46Å; L928-T958 HydrophobicContact CD1-CG2 3.76Å; E930-T958 WeakPolarHBondContact OE1-CG2 3.47Å; E930-T958 PolarHBondContact OE1-OG1 2.74Å; N931-T958 PolarHBondContact ND2-OG1 3.25Å; R947-T958 PolarHBondContact NH1-O 3.11Å; R947-T958 VanDerWaalsContact NH1-O 3.07Å; N956-T958 PolarHBondContact O-N 3.04Å; T958-Y960 PolarHBondContact O-N 2.73Å
959	G	97.1	Very high	96.5	Very high	2 Å²	2	51 Å²	51	2%	0.021	26%	0.26	C	S	.	.			trans	58	31.6	-179.7	0	0	0	0	0	112.6	L950 N956	L950-G959 WeakPolarHBondContact CB-O 3.25Å; L950-G959 PolarHBondContact N-O 3.01Å; L950-G959 WeakPolarHBondContact O-CA 3.47Å; N956-G959 PolarHBondContact O-N 2.89Å; N956-G959 PolarHBondContact OD1-N 2.82Å
960	Y	98.4	Very high	96.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.2	-168	176.7	-100.8	0	0	0	112.4	T925 A926 N931 R934 S935 P942 N956 T958 N962	T925-Y960 HydrophobicContact CG2-CD2 4.09Å; T925-Y960 HydrophobicContact CG2-CG 4.49Å; A926-Y960 HydrophobicContact CB-CE2 3.56Å; N931-Y960 HydrophobicContact CB-CD1 3.53Å; N931-Y960 HydrophobicContact CB-CE1 3.85Å; N931-Y960 HydrophobicContact CB-CG 4Å; N931-Y960 VanDerWaalsContact ND2-CB 3.3Å; N931-Y960 WeakPolarHBondContact ND2-CB 3.37Å; R934-Y960 HydrophobicContact CB-CD1 3.85Å; R934-Y960 HydrophobicContact CB-CE1 3.88Å; R934-Y960 HydrophobicContact CG-CD1 4.48Å; S935-Y960 PolarHBondContact OG-OH 3.1Å; S935-Y960 VanDerWaalsContact OG-OH 3.09Å; P942-Y960 HydrophobicContact CG-CE2 3.92Å; N956-Y960 PolarHBondContact ND2-N 3.33Å; N956-Y960 PolarHBondContact ND2-O 2.94Å; N956-Y960 PolarHBondContact OD1-N 3.41Å; T958-Y960 PolarHBondContact O-N 2.73Å; Y960-N962 HydrophobicContact CE1-CB 4.43Å
961	I	98.6	Very high	95.3	Very high	6 Å²	6	48.2 Å²	48.2	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	145.3	161.3	-175.3	163.9	0	0	0	108.8	V948 L950 A963 D990 F991 M994	V948-I961 HydrophobicContact CB-CG2 4.19Å; L950-I961 HydrophobicContact CD1-CB 4.04Å; L950-I961 HydrophobicContact CD1-CG2 4.01Å; L950-I961 HydrophobicContact CD2-CG2 4.02Å; L950-I961 HydrophobicContact CG-CB 4.45Å; L950-I961 HydrophobicContact CG-CG2 3.91Å; I961-A963 HydrophobicContact CG1-CB 4.46Å; I961-A963 HydrophobicContact CG2-CB 4.04Å; I961-A963 PolarHBondContact O-N 3.47Å; I961-D990 HydrophobicContact CD1-CB 4.05Å; I961-F991 HydrophobicContact CD1-CB 4.27Å; I961-M994 HydrophobicContact CD1-CB 4.15Å; I961-M994 HydrophobicContact CD1-CG 4.48Å; I961-M994 HydrophobicContact CD1-SD 3.87Å; I961-M994 HydrophobicContact CG2-CG 4.3Å; I961-M994 HydrophobicContact CG2-SD 4.15Å
962	N	98.5	Very high	94.6	Very high	1 Å²	1	46 Å²	46	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	73.9	177	-168.3	-40	0	0	0	110.9	S935 V940 Y960 T980 Q981 R1158	S935-N962 WeakPolarHBondContact CB-ND2 3.41Å; S935-N962 PolarHBondContact OG-ND2 2.98Å; V940-N962 PolarHBondContact O-ND2 3.26Å; V940-N962 PolarHBondContact O-OD1 2.86Å; Y960-N962 HydrophobicContact CE1-CB 4.43Å; N962-T980 PolarHBondContact O-OG1 3.09Å; N962-Q981 HydrophobicContact CB-CG 4.25Å; N962-Q981 PolarHBondContact O-N 3.27Å; N962-R1158 PolarHBondContact OD1-NH1 3.1Å; N962-R1158 PolarHBondContact OD1-NH2 3Å
963	A	98.7	Very high	94.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	142.7	-178.2	0	0	0	0	0	110.6	P942 R947 V948 I961 I978 A979 T980 M994	P942-A963 WeakPolarHBondContact CB-O 3.45Å; R947-A963 WeakPolarHBondContact CA-O 3.39Å; V948-A963 HydrophobicContact CB-CB 4.05Å; V948-A963 HydrophobicContact CG2-CB 3.65Å; V948-A963 PolarHBondContact N-O 2.83Å; I961-A963 HydrophobicContact CG1-CB 4.46Å; I961-A963 HydrophobicContact CG2-CB 4.04Å; I961-A963 PolarHBondContact O-N 3.47Å; A963-I978 HydrophobicContact CB-CG2 3.93Å; A963-A979 CarbonylContact C-O 3.55Å; A963-A979 WeakPolarHBondContact CA-O 3.37Å; A963-T980 WeakPolarHBondContact CB-OG1 3.15Å; A963-M994 HydrophobicContact CB-SD 3.67Å
964	S	98.8	Very high	94	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.3	177.4	-53.4	0	0	0	0	110.6	P942 N946 I966 I978 A979 R1158	P942-S964 WeakPolarHBondContact CA-OG 3.43Å; P942-S964 WeakPolarHBondContact CB-OG 3.39Å; N946-S964 WeakPolarHBondContact O-CA 3.33Å; S964-I966 PolarHBondContact O-N 2.77Å; S964-I978 WeakPolarHBondContact O-CA 3.38Å; S964-A979 PolarHBondContact N-O 2.93Å; S964-A979 PolarHBondContact O-N 3.28Å; S964-R1158 WeakPolarHBondContact OG-CD 3.24Å; S964-R1158 WeakPolarHBondContact OG-CG 3.18Å; S964-R1158 PolarHBondContact OG-NH1 2.83Å
965	H	98.6	Very high	94.1	Very high	33 Å²	33	38.3 Å²	38.3	15%	0.153	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	119.4	163.1	-71.9	-56.1	0	0	0	109.8	N946 H976 Y977 I978 Q998	N946-H965 PolarHBondContact ND2-O 2.99Å; N946-H965 PolarHBondContact O-N 3.32Å; H965-H976 AromaticContact CE1-NE2 3.94Å; H965-H976 AromaticContact CG-NE2 3.7Å; H965-H976 AromaticContact ND1-CE1 3.82Å; H965-H976 AromaticContact ND1-NE2 3.13Å; H965-H976 PolarHBondContact ND1-NE2 3.25Å; H965-H976 VanDerWaalsContact ND1-NE2 3.13Å; H965-Y977 WeakPolarHBondContact CA-O 3.46Å; H965-I978 WeakPolarHBondContact ND1-CG1 3.33Å; H965-Q998 PolarHBondContact CE1-OE1 3.45Å; H965-Q998 VanDerWaalsContact CE1-OE1 3.25Å
966	I	98.3	Very high	94.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.1	171.5	-44.9	-58.7	0	0	0	107.5	S964 V968 H976 Y977 A979 L1154 Q1157 R1158	S964-I966 PolarHBondContact O-N 2.77Å; I966-V968 HydrophobicContact CG2-CG2 4.13Å; I966-H976 WeakPolarHBondContact O-CA 3.42Å; I966-Y977 HydrophobicContact CB-CD2 4.35Å; I966-Y977 PolarHBondContact N-O 3.27Å; I966-Y977 PolarHBondContact O-N 2.96Å; I966-A979 HydrophobicContact CD1-CB 4.11Å; I966-A979 HydrophobicContact CG1-CB 3.72Å; I966-L1154 HydrophobicContact CG2-CD2 3.58Å; I966-Q1157 HydrophobicContact CD1-CB 3.81Å; I966-R1158 HydrophobicContact CD1-CB 3.79Å
967	K	96.8	Very high	94.5	Very high	87 Å²	87	32.7 Å²	32.7	38%	0.378	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.3	175.8	-67.5	-174	179.9	-174.6	0	110.1	W975 H976 F1153 Q1157	K967-W975 CarbonylContact C-O 3.01Å; K967-W975 WeakPolarHBondContact CA-O 3.47Å; K967-H976 VanDerWaalsContact CE-NE2 3.34Å; K967-H976 WeakPolarHBondContact CE-NE2 3.39Å; K967-H976 HydrophobicContact CG-CB 4.44Å; K967-F1153 WeakPolarHBondContact O-CE1 3.39Å; K967-Q1157 PolarHBondContact O-NE2 2.99Å; K967-Q1157 PolarHBondContact O-OE1 2.75Å
968	V	95.5	Very high	94.7	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	137	-178	-165.8	0	0	0	0	108.7	I966 V970 W975 L1134 M1150 F1153 L1154	I966-V968 HydrophobicContact CG2-CG2 4.13Å; V968-V970 HydrophobicContact CG1-CG2 3.89Å; V968-W975 HydrophobicContact CB-CB 4.35Å; V968-W975 PolarHBondContact N-O 3.16Å; V968-W975 PolarHBondContact O-N 3.17Å; V968-L1134 HydrophobicContact CB-CD1 4.27Å; V968-L1134 HydrophobicContact CB-CD2 4.04Å; V968-L1134 HydrophobicContact CG1-CD1 4.28Å; V968-L1134 HydrophobicContact CG1-CD2 4.13Å; V968-L1134 HydrophobicContact CG2-CD1 3.75Å; V968-L1134 HydrophobicContact CG2-CD2 4.34Å; V968-M1150 HydrophobicContact CG1-CE 4.04Å; V968-M1150 HydrophobicContact CG1-SD 3.76Å; V968-F1153 HydrophobicContact CB-CE1 4.13Å; V968-F1153 HydrophobicContact CG1-CD1 4.08Å; V968-F1153 HydrophobicContact CG1-CE1 3.85Å; V968-F1153 HydrophobicContact CG2-CD1 4.27Å; V968-F1153 HydrophobicContact CG2-CE1 3.96Å; V968-L1154 HydrophobicContact CG2-CD2 4.22Å
969	V	92.9	Very high	94.8	Very high	102 Å²	102	26.1 Å²	26.1	62%	0.618	17%	0.165	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.3	172.7	-177.8	0	0	0	0	108.4	A973	V969-A973 WeakPolarHBondContact CA-O 3.35Å
970	V	89.9	Confident	94.9	Very high	12 Å²	12	26 Å²	26	7%	0.073	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	127.8	-179.7	-176.2	0	0	0	0	107.6	V968 G972 A973 Y1137 E1143 M1150	V968-V970 HydrophobicContact CG1-CG2 3.89Å; V970-G972 PolarHBondContact O-N 2.8Å; V970-A973 PolarHBondContact N-O 3.25Å; V970-A973 VanDerWaalsContact N-O 3.15Å; V970-A973 WeakPolarHBondContact O-CB 3.48Å; V970-A973 PolarHBondContact O-N 3.06Å; V970-Y1137 HydrophobicContact CB-CD1 3.94Å; V970-Y1137 HydrophobicContact CB-CE1 3.9Å; V970-Y1137 HydrophobicContact CG1-CD1 3.74Å; V970-Y1137 HydrophobicContact CG1-CE1 3.83Å; V970-E1143 HydrophobicContact CG1-CB 4.4Å; V970-E1143 HydrophobicContact CG1-CG 4.02Å; V970-M1150 HydrophobicContact CG2-CE 3.9Å
971	G	80.4	Confident	94.9	Very high	52 Å²	52	26.2 Å²	26.2	54%	0.536	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	17.3	-179.2	0	0	0	0	0	116	E1143	G971-E1143 WeakPolarHBondContact CA-OE1 3.36Å; G971-E1143 PolarHBondContact N-OE1 3.08Å
972	G	83.1	Confident	94.9	Very high	69 Å²	69	26 Å²	26	71%	0.711	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.8	-8.4	-172.1	0	0	0	0	0	115.7	V970	V970-G972 PolarHBondContact O-N 2.8Å
973	A	87	Confident	94.9	Very high	31 Å²	31	26 Å²	26	26%	0.256	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	127	173.8	0	0	0	0	0	111.7	V969 V970 Y1137	V969-A973 WeakPolarHBondContact CA-O 3.35Å; V970-A973 PolarHBondContact N-O 3.25Å; V970-A973 VanDerWaalsContact N-O 3.15Å; V970-A973 WeakPolarHBondContact O-CB 3.48Å; V970-A973 PolarHBondContact O-N 3.06Å; A973-Y1137 HydrophobicContact CB-CE1 4.19Å; A973-Y1137 WeakPolarHBondContact CB-OH 3.39Å
974	E	91.6	Very high	94.8	Very high	83 Å²	83	27 Å²	27	39%	0.388	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	115.4	172.2	-175	179	-166.8	0	0	110.5	R1111	E974-R1111 IonicContact OE1-NH1 3.59Å; E974-R1111 PolarHBondContact OE1-NH1 2.93Å; E974-R1111 IonicContact OE2-CZ 3.23Å; E974-R1111 IonicContact OE2-NE 3.36Å; E974-R1111 IonicContact OE2-NH1 2.67Å; E974-R1111 PolarHBondContact OE2-NH1 3Å
975	W	94.4	Very high	94.7	Very high	33 Å²	33	31 Å²	31	13%	0.125	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122	173.8	-66.5	79.4	0	0	0	109.7	K967 V968 Y977 R1098 E1133 L1134 Y1137	K967-W975 CarbonylContact C-O 3.01Å; K967-W975 WeakPolarHBondContact CA-O 3.47Å; V968-W975 HydrophobicContact CB-CB 4.35Å; V968-W975 PolarHBondContact N-O 3.16Å; V968-W975 PolarHBondContact O-N 3.17Å; W975-Y977 HydrophobicContact CB-CE2 3.91Å; W975-Y977 HydrophobicContact CE3-CE2 4.49Å; W975-Y977 AromaticContact CE3-CZ 3.94Å; W975-R1098 VanDerWaalsContact CE3-NH1 3.25Å; W975-E1133 HydrophobicContact CH2-CG 4.19Å; W975-E1133 HydrophobicContact CZ3-CG 3.78Å; W975-L1134 HydrophobicContact CB-CD2 3.93Å; W975-L1134 HydrophobicContact CD2-CD2 3.9Å; W975-L1134 HydrophobicContact CE3-CD2 4.39Å; W975-L1134 HydrophobicContact CG-CD2 3.66Å; W975-Y1137 HydrophobicContact CH2-CD2 4.42Å; W975-Y1137 HydrophobicContact CH2-CG 4.48Å; W975-Y1137 HydrophobicContact CZ2-CD1 4.07Å; W975-Y1137 AromaticContact CZ2-CD2 3.53Å; W975-Y1137 HydrophobicContact CZ2-CD2 3.53Å; W975-Y1137 HydrophobicContact CZ2-CE2 4.07Å; W975-Y1137 AromaticContact CZ2-CG 3.51Å; W975-Y1137 HydrophobicContact CZ2-CG 3.51Å; W975-Y1137 AromaticContact NE1-CD1 3.71Å; W975-Y1137 AromaticContact NE1-CE1 3.84Å
976	H	96.9	Very high	94.7	Very high	34 Å²	34	34 Å²	34	16%	0.157	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.4	178.5	-170.9	-164.1	0	0	0	110.9	H965 I966 K967 P1114 I1115	H965-H976 AromaticContact CE1-NE2 3.94Å; H965-H976 AromaticContact CG-NE2 3.7Å; H965-H976 AromaticContact ND1-CE1 3.82Å; H965-H976 AromaticContact ND1-NE2 3.13Å; H965-H976 PolarHBondContact ND1-NE2 3.25Å; H965-H976 VanDerWaalsContact ND1-NE2 3.13Å; I966-H976 WeakPolarHBondContact O-CA 3.42Å; K967-H976 VanDerWaalsContact CE-NE2 3.34Å; K967-H976 WeakPolarHBondContact CE-NE2 3.39Å; K967-H976 HydrophobicContact CG-CB 4.44Å; H976-P1114 HydrophobicContact CB-CB 4.42Å; H976-P1114 WeakPolarHBondContact O-CA 3.42Å; H976-I1115 PolarHBondContact O-N 3.39Å
977	Y	98.5	Very high	94.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	160.6	175.3	-48.5	-100.4	0	0	0	110.8	H965 I966 W975 I1115 V1117 I1130 E1133 L1134	H965-Y977 WeakPolarHBondContact CA-O 3.46Å; I966-Y977 HydrophobicContact CB-CD2 4.35Å; I966-Y977 PolarHBondContact N-O 3.27Å; I966-Y977 PolarHBondContact O-N 2.96Å; W975-Y977 HydrophobicContact CB-CE2 3.91Å; W975-Y977 HydrophobicContact CE3-CE2 4.49Å; W975-Y977 AromaticContact CE3-CZ 3.94Å; Y977-I1115 CarbonylContact C-O 3.59Å; Y977-I1115 WeakPolarHBondContact CA-O 3.44Å; Y977-I1115 HydrophobicContact CD1-CD1 4.07Å; Y977-I1115 HydrophobicContact CD1-CG1 3.63Å; Y977-I1115 HydrophobicContact CE1-CD1 4.28Å; Y977-I1115 HydrophobicContact CE1-CG1 4.18Å; Y977-V1117 HydrophobicContact CD1-CG2 3.92Å; Y977-I1130 HydrophobicContact CD1-CD1 4.03Å; Y977-I1130 HydrophobicContact CD1-CG1 3.82Å; Y977-I1130 HydrophobicContact CD2-CD1 4.48Å; Y977-I1130 HydrophobicContact CD2-CG2 4.14Å; Y977-I1130 HydrophobicContact CE1-CG1 3.98Å; Y977-I1130 HydrophobicContact CE1-CG2 4.48Å; Y977-I1130 HydrophobicContact CE2-CG2 3.91Å; Y977-I1130 HydrophobicContact CG-CD1 3.94Å; Y977-I1130 HydrophobicContact CG-CG1 4.14Å; Y977-E1133 WeakPolarHBondContact CE1-OE2 3.35Å; Y977-E1133 PolarHBondContact OH-OE2 2.93Å; Y977-E1133 VanDerWaalsContact OH-OE2 3.1Å; Y977-L1134 HydrophobicContact CE2-CD1 4.38Å; Y977-L1134 HydrophobicContact CE2-CD2 4.32Å; Y977-L1134 HydrophobicContact CE2-CG 4.42Å
978	I	98.8	Very high	94.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	107.9	160.3	-71.3	167.2	0	0	0	107.9	V948 A963 S964 H965 M994 Q998 V1000 P1114 I1115 V1116 V1117	V948-I978 HydrophobicContact CG2-CD1 4.28Å; V948-I978 HydrophobicContact CG2-CG1 4Å; V948-I978 HydrophobicContact CG2-CG2 3.82Å; A963-I978 HydrophobicContact CB-CG2 3.93Å; S964-I978 WeakPolarHBondContact O-CA 3.38Å; H965-I978 WeakPolarHBondContact ND1-CG1 3.33Å; I978-M994 HydrophobicContact CG2-CE 3.91Å; I978-M994 HydrophobicContact CG2-SD 3.69Å; I978-Q998 HydrophobicContact CD1-CB 3.7Å; I978-Q998 HydrophobicContact CD1-CG 3.8Å; I978-V1000 HydrophobicContact CD1-CG2 4.19Å; I978-P1114 HydrophobicContact CD1-CB 4.05Å; I978-P1114 HydrophobicContact CD1-CG 3.64Å; I978-P1114 HydrophobicContact CG1-CB 3.94Å; I978-P1114 HydrophobicContact CG1-CG 4.06Å; I978-I1115 PolarHBondContact N-O 3.42Å; I978-V1116 HydrophobicContact CB-CG2 3.99Å; I978-V1116 HydrophobicContact CD1-CG2 4.37Å; I978-V1116 HydrophobicContact CG2-CG2 4.18Å; I978-V1116 WeakPolarHBondContact O-CA 3.36Å; I978-V1117 PolarHBondContact O-N 3.02Å
979	A	98.8	Very high	94.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	112.9	174.9	0	0	0	0	0	109.2	A963 S964 I966 T1126 I1130	A963-A979 CarbonylContact C-O 3.55Å; A963-A979 WeakPolarHBondContact CA-O 3.37Å; S964-A979 PolarHBondContact N-O 2.93Å; S964-A979 PolarHBondContact O-N 3.28Å; I966-A979 HydrophobicContact CD1-CB 4.11Å; I966-A979 HydrophobicContact CG1-CB 3.72Å; A979-T1126 HydrophobicContact CB-CG2 3.82Å; A979-I1130 HydrophobicContact CB-CD1 4.25Å
980	T	98.8	Very high	95.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	159.7	-170.6	-171	0	0	0	0	112.7	N962 A963 F991 M994 V1116 V1117 H1118 G1122	N962-T980 PolarHBondContact O-OG1 3.09Å; A963-T980 WeakPolarHBondContact CB-OG1 3.15Å; T980-F991 HydrophobicContact CG2-CD2 4.48Å; T980-F991 HydrophobicContact CG2-CE2 3.98Å; T980-M994 HydrophobicContact CG2-CE 4.29Å; T980-V1116 HydrophobicContact CG2-CG1 3.57Å; T980-V1117 PolarHBondContact N-O 2.83Å; T980-V1117 VanDerWaalsContact N-O 3.16Å; T980-H1118 HydrophobicContact CG2-CB 3.69Å; T980-H1118 VanDerWaalsContact O-CA 3.32Å; T980-H1118 WeakPolarHBondContact O-CA 3.42Å; T980-H1118 WeakPolarHBondContact O-CB 3.45Å; T980-G1122 WeakPolarHBondContact O-CA 3.27Å
981	Q	98.1	Very high	95.5	Very high	5 Å²	5	27 Å²	27	2%	0.023	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-69.8	160.2	173.4	71	179.8	15.3	0	0	112.7	R934 N962 P983 S1120	R934-Q981 PolarHBondContact O-NE2 3.11Å; N962-Q981 HydrophobicContact CB-CG 4.25Å; N962-Q981 PolarHBondContact O-N 3.27Å; Q981-P983 WeakPolarHBondContact O-CD 3.39Å; Q981-S1120 CarbonylContact C-O 3.52Å; Q981-S1120 WeakPolarHBondContact CA-O 3.48Å; Q981-S1120 WeakPolarHBondContact CB-O 3.5Å
982	G	98.3	Very high	96.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-67.5	118.5	166.4	0	0	0	0	0	110.1	R936 H1118 C1119 S1120	R936-G982 PolarHBondContact NE-O 3.14Å; R936-G982 PolarHBondContact NH2-O 2.96Å; R936-G982 VanDerWaalsContact NH2-O 3.09Å; G982-H1118 WeakPolarHBondContact CA-ND1 3.4Å; G982-C1119 WeakPolarHBondContact CA-O 3.27Å; G982-C1119 PolarHBondContact N-O 3.11Å; G982-S1120 PolarHBondContact N-O 3.14Å
983	P	98.3	Very high	97.1	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.013	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-49.2	143.2	-169.7	-34.1	38.8	0	0	0	114.5	R936 Q981 F991 H1018 Y1020	R936-P983 PolarHBondContact NH2-O 3.26Å; Q981-P983 WeakPolarHBondContact O-CD 3.39Å; P983-F991 HydrophobicContact CB-CB 4.41Å; P983-F991 HydrophobicContact CG-CB 3.91Å; P983-F991 HydrophobicContact CG-CD1 4.16Å; P983-F991 HydrophobicContact CG-CD2 3.47Å; P983-F991 VanDerWaalsContact CG-CD2 3.47Å; P983-F991 HydrophobicContact CG-CE2 3.95Å; P983-F991 HydrophobicContact CG-CG 3.57Å; P983-F991 HydrophobicContact CG-CZ 4.5Å; P983-H1018 WeakPolarHBondContact O-CB 3.31Å; P983-H1018 PolarHBondContact O-N 3.02Å; P983-Y1020 HydrophobicContact CB-CD1 4.14Å; P983-Y1020 HydrophobicContact CG-CD1 3.62Å; P983-Y1020 HydrophobicContact CG-CE1 4.03Å; P983-Y1020 HydrophobicContact CG-CG 4.07Å
984	L	97.7	Very high	97.6	Very high	21 Å²	21	20.2 Å²	20.2	11%	0.11	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-85.7	158.7	169.4	-64.4	163.8	0	0	0	108.9	E933 R936 H986 T987 C988	E933-L984 WeakPolarHBondContact O-CD1 3.38Å; R936-L984 HydrophobicContact CB-CD1 4.44Å; R936-L984 HydrophobicContact CB-CD2 4.04Å; R936-L984 HydrophobicContact CB-CG 4.35Å; R936-L984 HydrophobicContact CG-CD2 4.22Å; L984-H986 PolarHBondContact O-N 3.19Å; L984-T987 HydrophobicContact CB-CG2 4.05Å; L984-T987 HydrophobicContact CD1-CG2 4.18Å; L984-T987 PolarHBondContact N-OG1 3.07Å; L984-T987 PolarHBondContact O-N 2.83Å; L984-C988 PolarHBondContact O-N 3.05Å; L984-C988 PolarHBondContact O-SG 2.98Å
985	P	96.9	Very high	97.9	Very high	84 Å²	84	16.4 Å²	16.4	55%	0.545	8%	0.084	S	C	.	.	S	Bend	trans	-53.8	-42.1	-178.3	-22.9	32.2	0	0	0	112.8	H1018	P985-H1018 HydrophobicContact CG-CB 4.46Å
986	H	96.7	Very high	98.1	Very high	95 Å²	95	16.6 Å²	16.6	44%	0.44	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-22.5	177.6	54.5	-67.2	0	0	0	114.2	E933 L984 H989	E933-H986 PolarHBondContact O-NE2 3.3Å; L984-H986 PolarHBondContact O-N 3.19Å; H986-H989 PolarHBondContact O-CE1 3.33Å; H986-H989 PolarHBondContact O-ND1 2.93Å
987	T	97.9	Very high	98.1	Very high	4 Å²	4	18 Å²	18	3%	0.025	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	10.9	-179.9	78.9	0	0	0	0	114.1	R934 L984 H989 D990 F991	R934-T987 HydrophobicContact CB-CG2 4.22Å; R934-T987 HydrophobicContact CG-CG2 4.23Å; L984-T987 HydrophobicContact CB-CG2 4.05Å; L984-T987 HydrophobicContact CD1-CG2 4.18Å; L984-T987 PolarHBondContact N-OG1 3.07Å; L984-T987 PolarHBondContact O-N 2.83Å; T987-H989 VanDerWaalsContact C-N 3.26Å; T987-H989 PolarHBondContact O-N 3.47Å; T987-D990 WeakPolarHBondContact CA-OD2 3.4Å; T987-D990 WeakPolarHBondContact CB-OD2 3.43Å; T987-D990 PolarHBondContact O-N 3.31Å; T987-F991 PolarHBondContact O-N 3.41Å
988	C	98.3	Very high	98	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.02	10%	0.102	C	C	.	.	H	α-helix	trans	-66.6	-28.1	176.2	-71	0	0	0	0	112.6	L984 W992 Y1033	L984-C988 PolarHBondContact O-N 3.05Å; L984-C988 PolarHBondContact O-SG 2.98Å; C988-W992 PolarHBondContact O-N 3.16Å; C988-Y1033 HydrophobicContact CB-CD1 3.72Å; C988-Y1033 HydrophobicContact CB-CE1 4.29Å; C988-Y1033 HydrophobicContact CB-CG 4.45Å
989	H	97.6	Very high	97.8	Very high	47 Å²	47	21.5 Å²	21.5	22%	0.218	11%	0.114	C	C	.	.	H	α-helix	trans	-74.3	-43.6	175.3	70.7	-91	0	0	0	111.5	H986 T987 F991 W992 Q993	H986-H989 PolarHBondContact O-CE1 3.33Å; H986-H989 PolarHBondContact O-ND1 2.93Å; T987-H989 VanDerWaalsContact C-N 3.26Å; T987-H989 PolarHBondContact O-N 3.47Å; H989-F991 VanDerWaalsContact C-N 3.26Å; H989-F991 PolarHBondContact O-N 2.7Å; H989-W992 PolarHBondContact O-N 3.09Å; H989-Q993 WeakPolarHBondContact O-CB 3.39Å; H989-Q993 PolarHBondContact O-N 3.44Å
990	D	98.3	Very high	97.8	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.011	11%	0.114	C	C	.	.	H	α-helix	trans	-54.7	-43.5	171.5	-57.7	-62.4	0	0	0	111.1	L950 N956 I961 T987 Q993 M994	L950-D990 HydrophobicContact CD1-CB 3.93Å; N956-D990 PolarHBondContact ND2-OD1 3.35Å; I961-D990 HydrophobicContact CD1-CB 4.05Å; T987-D990 WeakPolarHBondContact CA-OD2 3.4Å; T987-D990 WeakPolarHBondContact CB-OD2 3.43Å; T987-D990 PolarHBondContact O-N 3.31Å; D990-Q993 WeakPolarHBondContact O-CB 3.4Å; D990-Q993 PolarHBondContact O-N 3.05Å; D990-M994 WeakPolarHBondContact O-CB 3.34Å; D990-M994 PolarHBondContact O-N 2.84Å
991	F	98.8	Very high	97.6	Very high	1 Å²	1	22.6 Å²	22.6	0%	0.004	12%	0.12	C	C	.	.	H	α-helix	trans	-64.5	-42.2	179.6	179.7	-88.3	0	0	0	112.9	I961 T980 P983 T987 H989 M994 V995 I1003 Y1020 V1116	I961-F991 HydrophobicContact CD1-CB 4.27Å; T980-F991 HydrophobicContact CG2-CD2 4.48Å; T980-F991 HydrophobicContact CG2-CE2 3.98Å; P983-F991 HydrophobicContact CB-CB 4.41Å; P983-F991 HydrophobicContact CG-CB 3.91Å; P983-F991 HydrophobicContact CG-CD1 4.16Å; P983-F991 HydrophobicContact CG-CD2 3.47Å; P983-F991 VanDerWaalsContact CG-CD2 3.47Å; P983-F991 HydrophobicContact CG-CE2 3.95Å; P983-F991 HydrophobicContact CG-CG 3.57Å; P983-F991 HydrophobicContact CG-CZ 4.5Å; T987-F991 PolarHBondContact O-N 3.41Å; H989-F991 VanDerWaalsContact C-N 3.26Å; H989-F991 PolarHBondContact O-N 2.7Å; F991-M994 HydrophobicContact CD2-CE 3.99Å; F991-M994 HydrophobicContact CE2-CE 4.02Å; F991-M994 WeakPolarHBondContact O-CB 3.37Å; F991-M994 PolarHBondContact O-N 3.46Å; F991-V995 HydrophobicContact CD1-CG2 4.24Å; F991-V995 HydrophobicContact CE1-CG2 3.82Å; F991-V995 HydrophobicContact CZ-CG2 4.12Å; F991-V995 WeakPolarHBondContact O-CG2 3.37Å; F991-V995 PolarHBondContact O-N 2.67Å; F991-I1003 HydrophobicContact CE1-CD1 3.99Å; F991-I1003 HydrophobicContact CZ-CD1 4.09Å; F991-I1003 HydrophobicContact CZ-CG2 4.18Å; F991-Y1020 AromaticContact CD1-CD2 3.87Å; F991-Y1020 HydrophobicContact CD1-CD2 3.87Å; F991-Y1020 HydrophobicContact CD1-CE2 4.06Å; F991-Y1020 HydrophobicContact CD1-CG 4.37Å; F991-Y1020 AromaticContact CE1-CD2 3.57Å; F991-Y1020 HydrophobicContact CE1-CD2 3.57Å; F991-Y1020 AromaticContact CE1-CE2 3.28Å; F991-Y1020 HydrophobicContact CE1-CE2 3.28Å; F991-Y1020 HydrophobicContact CE1-CG 4.34Å; F991-Y1020 AromaticContact CE1-CZ 3.84Å; F991-Y1020 HydrophobicContact CZ-CD2 4.38Å; F991-Y1020 AromaticContact CZ-CE2 3.77Å; F991-Y1020 HydrophobicContact CZ-CE2 3.77Å; F991-Y1020 AromaticContact CZ-CZ 3.84Å; F991-V1116 HydrophobicContact CE2-CG1 3.97Å; F991-V1116 HydrophobicContact CZ-CG1 4.13Å
992	W	98.5	Very high	97.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-73.5	-29	176	-75.9	114.7	0	0	0	113	C988 H989 V995 W996 I1003 Y1020 W1021 Y1033 F1036 V1038 L1054 V1056 V1067	C988-W992 PolarHBondContact O-N 3.16Å; H989-W992 PolarHBondContact O-N 3.09Å; W992-V995 HydrophobicContact CE3-CB 4.05Å; W992-V995 HydrophobicContact CE3-CG1 3.87Å; W992-V995 HydrophobicContact CE3-CG2 4.43Å; W992-V995 HydrophobicContact CZ3-CB 4.39Å; W992-V995 HydrophobicContact CZ3-CG1 3.82Å; W992-W996 WeakPolarHBondContact O-CB 3.47Å; W992-W996 PolarHBondContact O-N 2.82Å; W992-I1003 HydrophobicContact CH2-CD1 4.03Å; W992-I1003 HydrophobicContact CZ3-CD1 4.15Å; W992-Y1020 AromaticContact CE2-CD2 3.87Å; W992-Y1020 AromaticContact CZ2-CD2 3.61Å; W992-Y1020 HydrophobicContact CZ2-CD2 3.61Å; W992-Y1020 AromaticContact CZ2-CE2 3.98Å; W992-Y1020 HydrophobicContact CZ2-CE2 3.98Å; W992-Y1020 AromaticContact NE1-CD2 3.87Å; W992-Y1020 PolarHBondContact NE1-O 3.23Å; W992-W1021 HydrophobicContact CZ2-CB 4.42Å; W992-Y1033 AromaticContact CD1-CD2 3.57Å; W992-Y1033 AromaticContact CD1-CG 3.67Å; W992-Y1033 AromaticContact NE1-CD2 3.54Å; W992-Y1033 AromaticContact NE1-CE2 3.89Å; W992-Y1033 AromaticContact NE1-CG 3.99Å; W992-F1036 HydrophobicContact CB-CB 3.96Å; W992-F1036 HydrophobicContact CB-CD2 3.83Å; W992-F1036 HydrophobicContact CB-CG 3.99Å; W992-V1038 HydrophobicContact CD2-CG2 3.72Å; W992-V1038 VanDerWaalsContact CE2-CG2 3.49Å; W992-V1038 HydrophobicContact CE3-CG2 4.19Å; W992-V1038 HydrophobicContact CG-CG2 4.14Å; W992-V1038 HydrophobicContact CH2-CG1 4.13Å; W992-V1038 HydrophobicContact CH2-CG2 4.27Å; W992-V1038 HydrophobicContact CZ2-CB 4.45Å; W992-V1038 HydrophobicContact CZ2-CG1 3.87Å; W992-V1038 HydrophobicContact CZ2-CG2 3.78Å; W992-V1038 HydrophobicContact CZ3-CG2 4.44Å; W992-L1054 HydrophobicContact CH2-CD1 3.71Å; W992-L1054 HydrophobicContact CZ2-CD1 4.19Å; W992-V1056 HydrophobicContact CE3-CG1 4.31Å; W992-V1056 HydrophobicContact CE3-CG2 3.99Å; W992-V1056 HydrophobicContact CH2-CG2 4.17Å; W992-V1056 HydrophobicContact CZ3-CG2 3.52Å; W992-V1067 HydrophobicContact CZ3-CG1 4.48Å
993	Q	98.3	Very high	97.7	Very high	11 Å²	11	22.5 Å²	22.5	5%	0.051	12%	0.12	C	C	.	.	H	α-helix	trans	-62.4	-48.8	168.2	-173.5	171.5	-15.9	0	0	110.8	I951 H989 D990 V995 W996 E997 F1036	I951-Q993 PolarHBondContact O-NE2 2.86Å; H989-Q993 WeakPolarHBondContact O-CB 3.39Å; H989-Q993 PolarHBondContact O-N 3.44Å; D990-Q993 WeakPolarHBondContact O-CB 3.4Å; D990-Q993 PolarHBondContact O-N 3.05Å; Q993-V995 PolarHBondContact O-N 3.3Å; Q993-W996 PolarHBondContact O-N 3.48Å; Q993-W996 VanDerWaalsContact O-N 3.14Å; Q993-E997 VanDerWaalsContact CG-CD 3.49Å; Q993-E997 HydrophobicContact CG-CG 4.25Å; Q993-E997 WeakPolarHBondContact CG-OE1 3.37Å; Q993-E997 PolarHBondContact NE2-OE1 3.24Å; Q993-E997 WeakPolarHBondContact O-CB 3.46Å; Q993-E997 WeakPolarHBondContact O-CG 3.39Å; Q993-E997 PolarHBondContact O-N 3.25Å; Q993-F1036 VanDerWaalsContact CA-CE2 3.45Å; Q993-F1036 HydrophobicContact CB-CE2 3.78Å; Q993-F1036 HydrophobicContact CB-CZ 4.31Å; Q993-F1036 HydrophobicContact CG-CE2 4.36Å
994	M	98.6	Very high	97.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-54.6	-50.8	174.9	-168.6	-163.3	67.2	0	0	112.2	V948 L950 I961 A963 I978 T980 D990 F991 W996 Q998 V1116	V948-M994 HydrophobicContact CB-CG 4.4Å; V948-M994 HydrophobicContact CG1-CG 3.73Å; V948-M994 HydrophobicContact CG1-SD 4.44Å; L950-M994 HydrophobicContact CD2-CB 3.65Å; L950-M994 HydrophobicContact CD2-CG 4.01Å; I961-M994 HydrophobicContact CD1-CB 4.15Å; I961-M994 HydrophobicContact CD1-CG 4.48Å; I961-M994 HydrophobicContact CD1-SD 3.87Å; I961-M994 HydrophobicContact CG2-CG 4.3Å; I961-M994 HydrophobicContact CG2-SD 4.15Å; A963-M994 HydrophobicContact CB-SD 3.67Å; I978-M994 HydrophobicContact CG2-CE 3.91Å; I978-M994 HydrophobicContact CG2-SD 3.69Å; T980-M994 HydrophobicContact CG2-CE 4.29Å; D990-M994 WeakPolarHBondContact O-CB 3.34Å; D990-M994 PolarHBondContact O-N 2.84Å; F991-M994 HydrophobicContact CD2-CE 3.99Å; F991-M994 HydrophobicContact CE2-CE 4.02Å; F991-M994 WeakPolarHBondContact O-CB 3.37Å; F991-M994 PolarHBondContact O-N 3.46Å; M994-W996 VanDerWaalsContact C-N 3.3Å; M994-W996 PolarHBondContact O-N 2.94Å; M994-Q998 HydrophobicContact CG-CG 4.48Å; M994-Q998 VanDerWaalsContact O-CB 3.23Å; M994-Q998 WeakPolarHBondContact O-CB 3.01Å; M994-Q998 VanDerWaalsContact O-CG 3.32Å; M994-Q998 WeakPolarHBondContact O-CG 3.27Å; M994-Q998 PolarHBondContact O-N 3.39Å; M994-V1116 HydrophobicContact CE-CG1 4.07Å; M994-V1116 HydrophobicContact CE-CG2 3.66Å
995	V	98.4	Very high	97.7	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.012	11%	0.114	C	C	.	.	H	α-helix	trans	-60.5	-39.6	177.6	165.8	0	0	0	0	111.4	F991 W992 Q993 V1000 I1003 R1065 V1067 V1116	F991-V995 HydrophobicContact CD1-CG2 4.24Å; F991-V995 HydrophobicContact CE1-CG2 3.82Å; F991-V995 HydrophobicContact CZ-CG2 4.12Å; F991-V995 WeakPolarHBondContact O-CG2 3.37Å; F991-V995 PolarHBondContact O-N 2.67Å; W992-V995 HydrophobicContact CE3-CB 4.05Å; W992-V995 HydrophobicContact CE3-CG1 3.87Å; W992-V995 HydrophobicContact CE3-CG2 4.43Å; W992-V995 HydrophobicContact CZ3-CB 4.39Å; W992-V995 HydrophobicContact CZ3-CG1 3.82Å; Q993-V995 PolarHBondContact O-N 3.3Å; V995-V1000 HydrophobicContact CB-CB 4.41Å; V995-V1000 HydrophobicContact CG1-CB 4.07Å; V995-V1000 HydrophobicContact CG1-CG1 4.34Å; V995-V1000 PolarHBondContact O-N 3.28Å; V995-V1000 VanDerWaalsContact O-N 3.16Å; V995-I1003 HydrophobicContact CG2-CD1 4.01Å; V995-I1003 HydrophobicContact CG2-CG1 4.47Å; V995-R1065 PolarHBondContact O-NH1 2.83Å; V995-V1067 HydrophobicContact CG1-CG1 4.35Å; V995-V1067 HydrophobicContact CG1-CG2 4.12Å; V995-V1116 HydrophobicContact CG2-CG2 4.33Å
996	W	97.6	Very high	97.7	Very high	37 Å²	37	17.4 Å²	17.4	14%	0.14	9%	0.088	C	C	.	.	H	α-helix	trans	-69.4	-55.3	178.9	-170.1	-94.4	0	0	0	112.3	W992 Q993 M994 Q998 G999 F1036 V1056 H1058 Q1063 R1065	W992-W996 WeakPolarHBondContact O-CB 3.47Å; W992-W996 PolarHBondContact O-N 2.82Å; Q993-W996 PolarHBondContact O-N 3.48Å; Q993-W996 VanDerWaalsContact O-N 3.14Å; M994-W996 VanDerWaalsContact C-N 3.3Å; M994-W996 PolarHBondContact O-N 2.94Å; W996-Q998 PolarHBondContact O-N 2.9Å; W996-G999 PolarHBondContact O-N 3.08Å; W996-F1036 HydrophobicContact CB-CD1 4.19Å; W996-F1036 HydrophobicContact CB-CE1 3.46Å; W996-F1036 VanDerWaalsContact CB-CE1 3.46Å; W996-F1036 HydrophobicContact CB-CZ 3.84Å; W996-F1036 AromaticContact CD1-CE1 3.88Å; W996-F1036 HydrophobicContact CD2-CD1 4.31Å; W996-F1036 AromaticContact CD2-CE1 3.82Å; W996-F1036 HydrophobicContact CD2-CE1 3.82Å; W996-F1036 HydrophobicContact CE3-CD1 4.35Å; W996-F1036 HydrophobicContact CE3-CE1 4.31Å; W996-F1036 HydrophobicContact CG-CD1 4.24Å; W996-F1036 AromaticContact CG-CE1 3.41Å; W996-F1036 HydrophobicContact CG-CE1 3.41Å; W996-F1036 VanDerWaalsContact CG-CE1 3.41Å; W996-F1036 HydrophobicContact CG-CZ 4.08Å; W996-V1056 HydrophobicContact CE3-CG1 4.04Å; W996-V1056 HydrophobicContact CZ3-CG1 4.27Å; W996-H1058 HydrophobicContact CD2-CB 4.05Å; W996-H1058 HydrophobicContact CE3-CB 4.31Å; W996-H1058 HydrophobicContact CH2-CB 3.87Å; W996-H1058 HydrophobicContact CZ2-CB 3.55Å; W996-H1058 HydrophobicContact CZ3-CB 4.23Å; W996-Q1063 HydrophobicContact CH2-CB 3.9Å; W996-Q1063 WeakPolarHBondContact CH2-O 3.44Å; W996-Q1063 HydrophobicContact CZ2-CB 3.83Å; W996-R1065 HydrophobicContact CH2-CB 4.38Å; W996-R1065 HydrophobicContact CZ3-CB 3.83Å; W996-R1065 PolarHBondContact O-NH1 3.06Å; W996-R1065 PolarHBondContact O-NH2 3.2Å
997	E	96.8	Very high	97.6	Very high	63 Å²	63	12.9 Å²	12.9	29%	0.294	7%	0.067	S	C	.	.	H	α-helix	trans	-63.5	-41.3	-175.2	-70.9	173.9	-178.1	0	0	112.1	L950 I951 Q993 G999	L950-E997 WeakPolarHBondContact CA-OE2 3.41Å; I951-E997 WeakPolarHBondContact CB-OE1 3.41Å; I951-E997 HydrophobicContact CD1-CG 4.39Å; I951-E997 WeakPolarHBondContact CD1-OE1 3.06Å; I951-E997 WeakPolarHBondContact CG1-OE1 3.32Å; I951-E997 PolarHBondContact N-OE2 2.89Å; Q993-E997 VanDerWaalsContact CG-CD 3.49Å; Q993-E997 HydrophobicContact CG-CG 4.25Å; Q993-E997 WeakPolarHBondContact CG-OE1 3.37Å; Q993-E997 PolarHBondContact NE2-OE1 3.24Å; Q993-E997 WeakPolarHBondContact O-CB 3.46Å; Q993-E997 WeakPolarHBondContact O-CG 3.39Å; Q993-E997 PolarHBondContact O-N 3.25Å; E997-G999 PolarHBondContact O-N 3.45Å
998	Q	97	Very high	97.3	Very high	49 Å²	49	14.2 Å²	14.2	23%	0.229	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	13.3	-177.8	-59.8	-66.5	-28.5	0	0	113.9	V948 H965 I978 M994 W996 V1000 P1114	V948-Q998 HydrophobicContact CG1-CG 3.73Å; H965-Q998 PolarHBondContact CE1-OE1 3.45Å; H965-Q998 VanDerWaalsContact CE1-OE1 3.25Å; I978-Q998 HydrophobicContact CD1-CB 3.7Å; I978-Q998 HydrophobicContact CD1-CG 3.8Å; M994-Q998 HydrophobicContact CG-CG 4.48Å; M994-Q998 VanDerWaalsContact O-CB 3.23Å; M994-Q998 WeakPolarHBondContact O-CB 3.01Å; M994-Q998 VanDerWaalsContact O-CG 3.32Å; M994-Q998 WeakPolarHBondContact O-CG 3.27Å; M994-Q998 PolarHBondContact O-N 3.39Å; W996-Q998 PolarHBondContact O-N 2.9Å; Q998-V1000 HydrophobicContact CB-CG2 3.97Å; Q998-V1000 PolarHBondContact O-N 2.89Å; Q998-V1000 VanDerWaalsContact O-N 3.08Å; Q998-P1114 HydrophobicContact CB-CG 4.31Å; Q998-P1114 WeakPolarHBondContact O-CD 3.34Å
999	G	95.1	Very high	97	Very high	26 Å²	26	16.2 Å²	16.2	27%	0.268	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	11.3	175.5	0	0	0	0	0	115.5	W996 E997 N1001 P1113	W996-G999 PolarHBondContact O-N 3.08Å; E997-G999 PolarHBondContact O-N 3.45Å; G999-N1001 PolarHBondContact O-N 3.41Å; G999-P1113 VanDerWaalsContact O-CB 3.24Å; G999-P1113 WeakPolarHBondContact O-CB 3.38Å
1000	V	96.9	Very high	96.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.103	C	C	.	.			trans	-60.8	131.3	-170.5	177.9	0	0	0	0	111.6	I978 V995 Q998 V1002 I1003 R1065 P1114 V1116	I978-V1000 HydrophobicContact CD1-CG2 4.19Å; V995-V1000 HydrophobicContact CB-CB 4.41Å; V995-V1000 HydrophobicContact CG1-CB 4.07Å; V995-V1000 HydrophobicContact CG1-CG1 4.34Å; V995-V1000 PolarHBondContact O-N 3.28Å; V995-V1000 VanDerWaalsContact O-N 3.16Å; Q998-V1000 HydrophobicContact CB-CG2 3.97Å; Q998-V1000 PolarHBondContact O-N 2.89Å; Q998-V1000 VanDerWaalsContact O-N 3.08Å; V1000-V1002 VanDerWaalsContact CG1-O 3.28Å; V1000-V1002 WeakPolarHBondContact CG1-O 3.48Å; V1000-I1003 HydrophobicContact CG1-CG1 4.34Å; V1000-R1065 PolarHBondContact O-NH1 3.17Å; V1000-R1065 VanDerWaalsContact O-NH1 3.08Å; V1000-P1114 HydrophobicContact CG2-CG 4.32Å; V1000-V1116 HydrophobicContact CB-CG2 4.33Å; V1000-V1116 HydrophobicContact CG1-CB 4.31Å; V1000-V1116 HydrophobicContact CG1-CG2 3.73Å; V1000-V1116 HydrophobicContact CG2-CG2 3.74Å
1001	N	96.4	Very high	96.1	Very high	23 Å²	23	19.8 Å²	19.8	12%	0.123	10%	0.104	C	C	.	.			trans	-109.4	-18.7	173.7	-70.1	-28.9	0	0	0	113.4	G999 R1065 V1067 W1068 T1101	G999-N1001 PolarHBondContact O-N 3.41Å; N1001-R1065 WeakPolarHBondContact OD1-CD 3.41Å; N1001-V1067 WeakPolarHBondContact O-CA 3.46Å; N1001-W1068 PolarHBondContact O-N 2.93Å; N1001-T1101 HydrophobicContact CB-CG2 4.03Å
1002	V	98.2	Very high	95.4	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.012	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	132.6	-172	-169.2	0	0	0	0	111.1	V1000 W1068 L1070 V1097 T1101 I1115 V1116	V1000-V1002 VanDerWaalsContact CG1-O 3.28Å; V1000-V1002 WeakPolarHBondContact CG1-O 3.48Å; V1002-W1068 CarbonylContact C-O 3.55Å; V1002-W1068 WeakPolarHBondContact CA-O 3.21Å; V1002-L1070 HydrophobicContact CG1-CD1 3.97Å; V1002-L1070 HydrophobicContact CG1-CD2 4.5Å; V1002-V1097 HydrophobicContact CG1-CG1 4.26Å; V1002-V1097 HydrophobicContact CG2-CG1 3.91Å; V1002-T1101 HydrophobicContact CG2-CG2 4.35Å; V1002-T1101 WeakPolarHBondContact CG2-OG1 3.28Å; V1002-I1115 HydrophobicContact CB-CB 4.2Å; V1002-I1115 HydrophobicContact CB-CG2 3.85Å; V1002-I1115 HydrophobicContact CG1-CG2 4.46Å; V1002-I1115 HydrophobicContact CG2-CG2 4.32Å; V1002-V1116 PolarHBondContact O-N 3.27Å
1003	I	98.8	Very high	94.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120.8	176.2	-54.7	170.7	0	0	0	108.9	F991 W992 V995 V1000 Y1020 V1067 W1068 L1070 V1116	F991-I1003 HydrophobicContact CE1-CD1 3.99Å; F991-I1003 HydrophobicContact CZ-CD1 4.09Å; F991-I1003 HydrophobicContact CZ-CG2 4.18Å; W992-I1003 HydrophobicContact CH2-CD1 4.03Å; W992-I1003 HydrophobicContact CZ3-CD1 4.15Å; V995-I1003 HydrophobicContact CG2-CD1 4.01Å; V995-I1003 HydrophobicContact CG2-CG1 4.47Å; V1000-I1003 HydrophobicContact CG1-CG1 4.34Å; I1003-Y1020 HydrophobicContact CD1-CE2 4.47Å; I1003-Y1020 WeakPolarHBondContact CG2-OH 3.44Å; I1003-V1067 HydrophobicContact CD1-CG1 3.63Å; I1003-V1067 HydrophobicContact CG1-CG1 3.84Å; I1003-W1068 PolarHBondContact N-O 3.03Å; I1003-L1070 PolarHBondContact O-N 3.48Å; I1003-V1116 CarbonylContact C-O 3.6Å; I1003-V1116 WeakPolarHBondContact CA-O 3.24Å; I1003-V1116 HydrophobicContact CG1-CB 4.27Å; I1003-V1116 HydrophobicContact CG2-CB 4.35Å; I1003-V1116 HydrophobicContact CG2-CG1 4.16Å
1004	A	98.6	Very high	94.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	108.9	173.6	0	0	0	0	0	110.4	Y1090 I1094 V1116 V1117 H1118	A1004-Y1090 WeakPolarHBondContact CA-OH 3.33Å; A1004-I1094 HydrophobicContact CB-CD1 3.78Å; A1004-I1094 HydrophobicContact CB-CG1 4.27Å; A1004-V1116 PolarHBondContact N-O 2.86Å; A1004-V1117 HydrophobicContact CB-CG1 4.25Å; A1004-V1117 HydrophobicContact CB-CG2 4.3Å; A1004-V1117 WeakPolarHBondContact O-CA 3.29Å; A1004-H1118 PolarHBondContact O-N 3.26Å
1005	M	98.4	Very high	93.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	106.9	178.4	176.8	167.7	-174.9	0	0	110.8	T1007 Y1020 W1021 L1070 Q1071 Y1072 Y1090 H1118	M1005-T1007 HydrophobicContact CE-CG2 3.7Å; M1005-T1007 WeakPolarHBondContact CE-O 3.49Å; M1005-T1007 HydrophobicContact CG-CG2 4.13Å; M1005-T1007 PolarHBondContact O-N 3.2Å; M1005-Y1020 HydrophobicContact SD-CE1 4.36Å; M1005-W1021 HydrophobicContact CE-CH2 3.77Å; M1005-W1021 HydrophobicContact CE-CZ3 4.12Å; M1005-W1021 HydrophobicContact SD-CH2 3.38Å; M1005-W1021 WeakPolarHBondContact SD-CH2 3.24Å; M1005-W1021 HydrophobicContact SD-CZ2 4.11Å; M1005-W1021 HydrophobicContact SD-CZ3 3.76Å; M1005-L1070 PolarHBondContact N-O 3.07Å; M1005-Q1071 HydrophobicContact CB-CB 4.33Å; M1005-Q1071 HydrophobicContact CB-CG 4.25Å; M1005-Q1071 HydrophobicContact CG-CG 4.02Å; M1005-Q1071 CarbonylContact O-C 3.6Å; M1005-Q1071 WeakPolarHBondContact O-CA 3.12Å; M1005-Q1071 HydrophobicContact SD-CG 4.2Å; M1005-Y1072 PolarHBondContact O-N 2.94Å; M1005-Y1090 PolarHBondContact N-OH 3.16Å; M1005-H1118 WeakPolarHBondContact CB-NE2 3.35Å; M1005-H1118 VanDerWaalsContact CG-CE1 3.43Å; M1005-H1118 WeakPolarHBondContact CG-CE1 3.3Å; M1005-H1118 WeakPolarHBondContact CG-NE2 3.42Å
1006	V	96.9	Very high	93.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.23	C	C	.	.			trans	-99.2	44.8	-173.1	-153.5	0	0	0	0	111.7	Y1072 W1075 Y1090 V1117 H1118 C1119 R1125 V1129	V1006-Y1072 HydrophobicContact CG1-CD1 4.45Å; V1006-W1075 HydrophobicContact CG1-CE3 3.78Å; V1006-W1075 HydrophobicContact CG1-CZ3 3.92Å; V1006-Y1090 HydrophobicContact CG2-CE1 4.48Å; V1006-V1117 HydrophobicContact CG2-CG1 4.18Å; V1006-H1118 PolarHBondContact N-O 3.26Å; V1006-C1119 HydrophobicContact CB-CB 4.34Å; V1006-R1125 HydrophobicContact CB-CB 4.02Å; V1006-R1125 HydrophobicContact CG1-CB 3.8Å; V1006-R1125 WeakPolarHBondContact O-CD 3.37Å; V1006-R1125 PolarHBondContact O-NH1 3.46Å; V1006-V1129 HydrophobicContact CB-CG2 4.47Å; V1006-V1129 HydrophobicContact CG1-CG2 3.95Å; V1006-V1129 HydrophobicContact CG2-CB 4.41Å; V1006-V1129 HydrophobicContact CG2-CG2 3.64Å
1007	T	93.3	Very high	93.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-167.1	155.3	-174.1	-159.3	0	0	0	0	111	M1005 E1011 K1016 Q1071 R1125	M1005-T1007 HydrophobicContact CE-CG2 3.7Å; M1005-T1007 WeakPolarHBondContact CE-O 3.49Å; M1005-T1007 HydrophobicContact CG-CG2 4.13Å; M1005-T1007 PolarHBondContact O-N 3.2Å; T1007-E1011 WeakPolarHBondContact CA-OE1 3.36Å; T1007-E1011 PolarHBondContact OG1-OE1 3.33Å; T1007-K1016 HydrophobicContact CG2-CB 4.32Å; T1007-K1016 VanDerWaalsContact OG1-CB 3.31Å; T1007-K1016 WeakPolarHBondContact OG1-CB 3.41Å; T1007-Q1071 PolarHBondContact O-NE2 2.89Å; T1007-R1125 PolarHBondContact OG1-NH1 2.77Å; T1007-R1125 VanDerWaalsContact OG1-NH1 3.12Å
1008	A	92.2	Very high	93.6	Very high	33 Å²	33	39 Å²	39	27%	0.273	23%	0.226	S	C	.	.			trans	-77.5	167.8	162.6	0	0	0	0	0	110.8	E1010 E1011	A1008-E1010 VanDerWaalsContact C-N 3.27Å; A1008-E1010 PolarHBondContact O-N 3.26Å; A1008-E1011 HydrophobicContact CB-CG 3.88Å; A1008-E1011 PolarHBondContact N-OE1 2.61Å
1009	E	91.8	Very high	93.5	Very high	45 Å²	45	39 Å²	39	21%	0.21	22%	0.224	C	C	.	.	S	Bend	trans	-56.9	-44.7	170.6	-75.6	155.3	-123.3	0	0	110.5	K1016 S1017 R1019 W1021 K1023	E1009-K1016 PolarHBondContact O-N 2.88Å; E1009-S1017 PolarHBondContact O-N 2.63Å; E1009-S1017 VanDerWaalsContact O-N 3.14Å; E1009-S1017 VanDerWaalsContact O-O 3.09Å; E1009-R1019 HydrophobicContact CG-CB 4.49Å; E1009-R1019 WeakPolarHBondContact OE1-CD 3.37Å; E1009-R1019 IonicContact OE1-CZ 3.25Å; E1009-R1019 IonicContact OE1-NE 3.17Å; E1009-R1019 IonicContact OE1-NH1 2.75Å; E1009-R1019 PolarHBondContact OE1-NH1 3.04Å; E1009-R1019 WeakPolarHBondContact OE2-CD 3.15Å; E1009-W1021 HydrophobicContact CG-CH2 4.25Å; E1009-K1023 IonicContact OE1-NZ 2.99Å; E1009-K1023 IonicContact OE2-NZ 2.72Å; E1009-K1023 PolarHBondContact OE2-NZ 3.05Å
1010	E	91.1	Very high	93.6	Very high	115 Å²	115	37.8 Å²	37.8	54%	0.537	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	143.2	180	-45.3	-156.8	116.8	0	0	110.9	A1008 R1014 T1015	A1008-E1010 VanDerWaalsContact C-N 3.27Å; A1008-E1010 PolarHBondContact O-N 3.26Å; E1010-R1014 WeakPolarHBondContact CA-O 3.44Å; E1010-T1015 HydrophobicContact CG-CG2 4.33Å; E1010-T1015 PolarHBondContact OE1-OG1 2.83Å
1011	E	87.6	Confident	93.6	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.037	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	128.6	-179	-63	167.2	-162.9	0	0	109	T1007 A1008 G1013 R1014 K1016 R1125	T1007-E1011 WeakPolarHBondContact CA-OE1 3.36Å; T1007-E1011 PolarHBondContact OG1-OE1 3.33Å; A1008-E1011 HydrophobicContact CB-CG 3.88Å; A1008-E1011 PolarHBondContact N-OE1 2.61Å; E1011-G1013 PolarHBondContact O-N 2.76Å; E1011-R1014 PolarHBondContact N-O 3.3Å; E1011-R1014 PolarHBondContact O-N 2.92Å; E1011-K1016 HydrophobicContact CB-CG 4.02Å; E1011-K1016 HydrophobicContact CG-CG 3.88Å; E1011-K1016 VanDerWaalsContact OE2-CE 3.27Å; E1011-K1016 WeakPolarHBondContact OE2-CE 3.4Å; E1011-K1016 IonicContact OE2-NZ 2.84Å; E1011-R1125 VanDerWaalsContact CD-NH1 3.3Å; E1011-R1125 IonicContact OE1-CZ 3.18Å; E1011-R1125 IonicContact OE1-NH1 2.7Å; E1011-R1125 PolarHBondContact OE1-NH1 3.48Å; E1011-R1125 IonicContact OE1-NH2 3.47Å; E1011-R1125 IonicContact OE2-CZ 3.99Å; E1011-R1125 IonicContact OE2-NH1 3.72Å; E1011-R1125 PolarHBondContact OE2-NH1 3.03Å; E1011-R1125 IonicContact OE2-NH2 3.08Å; E1011-R1125 PolarHBondContact OE2-NH2 2.82Å
1012	G	82.4	Confident	93.5	Very high	53 Å²	53	37.2 Å²	37.2	55%	0.546	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	32.2	-176.2	0	0	0	0	0	113.9	R1014 H1077	G1012-R1014 VanDerWaalsContact C-N 3.27Å; G1012-R1014 PolarHBondContact O-N 3.29Å; G1012-H1077 PolarHBondContact N-CD2 3.21Å; G1012-H1077 PolarHBondContact N-NE2 2.87Å
1013	G	83.8	Confident	92.9	Very high	75 Å²	75	42.1 Å²	42.1	77%	0.773	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.6	13.5	-175.1	0	0	0	0	0	115	E1011	E1011-G1013 PolarHBondContact O-N 2.76Å
1014	R	87.1	Confident	92.1	Very high	193 Å²	193	46.3 Å²	46.3	73%	0.728	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	121.3	176.3	-58.2	-175.7	-174.3	-173.2	1.9	110.3	E1010 E1011 G1012 K1016	E1010-R1014 WeakPolarHBondContact CA-O 3.44Å; E1011-R1014 PolarHBondContact N-O 3.3Å; E1011-R1014 PolarHBondContact O-N 2.92Å; G1012-R1014 VanDerWaalsContact C-N 3.27Å; G1012-R1014 PolarHBondContact O-N 3.29Å; R1014-K1016 PolarHBondContact O-N 2.88Å
1015	T	92.4	Very high	90.6	Very high	69 Å²	69	50.1 Å²	50.1	42%	0.423	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	119	177.2	-40.5	0	0	0	0	111.1	R936 E1010	R936-T1015 PolarHBondContact NH1-O 2.94Å; R936-T1015 VanDerWaalsContact NH1-O 3.08Å; E1010-T1015 HydrophobicContact CG-CG2 4.33Å; E1010-T1015 PolarHBondContact OE1-OG1 2.83Å
1016	K	94.6	Very high	89.6	Confident	53 Å²	53	52.7 Å²	52.7	23%	0.23	31%	0.309	C	S	.	.			trans	-95.7	-36.9	179.6	-59.5	-65.8	-174.7	164.1	0	112.2	R936 T1007 E1009 E1011 R1014 S1120	R936-K1016 WeakPolarHBondContact CD-O 3.48Å; R936-K1016 PolarHBondContact NE-O 2.9Å; R936-K1016 VanDerWaalsContact NE-O 3.13Å; T1007-K1016 HydrophobicContact CG2-CB 4.32Å; T1007-K1016 VanDerWaalsContact OG1-CB 3.31Å; T1007-K1016 WeakPolarHBondContact OG1-CB 3.41Å; E1009-K1016 PolarHBondContact O-N 2.88Å; E1011-K1016 HydrophobicContact CB-CG 4.02Å; E1011-K1016 HydrophobicContact CG-CG 3.88Å; E1011-K1016 VanDerWaalsContact OE2-CE 3.27Å; E1011-K1016 WeakPolarHBondContact OE2-CE 3.4Å; E1011-K1016 IonicContact OE2-NZ 2.84Å; R1014-K1016 PolarHBondContact O-N 2.88Å; K1016-S1120 WeakPolarHBondContact O-CA 3.49Å; K1016-S1120 PolarHBondContact O-OG 2.99Å
1017	S	97	Very high	88.2	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.007	35%	0.351	C	S	.	.	S	Bend	trans	-146.5	142.6	176.8	-176.1	0	0	0	0	109.5	E1009	E1009-S1017 PolarHBondContact O-N 2.63Å; E1009-S1017 VanDerWaalsContact O-N 3.14Å; E1009-S1017 VanDerWaalsContact O-O 3.09Å
1018	H	96.9	Very high	87.4	Confident	73 Å²	73	69 Å²	69	34%	0.338	38%	0.382	S	S	.	.			trans	-71.3	159.9	167	-166.6	70.2	0	0	0	110.8	P983 P985 Y1020	P983-H1018 WeakPolarHBondContact O-CB 3.31Å; P983-H1018 PolarHBondContact O-N 3.02Å; P985-H1018 HydrophobicContact CG-CB 4.46Å; H1018-Y1020 WeakPolarHBondContact O-CD1 3.33Å; H1018-Y1020 PolarHBondContact O-N 2.71Å; H1018-Y1020 VanDerWaalsContact O-N 3.09Å
1019	R	95.2	Very high	87.1	Confident	50 Å²	50	70 Å²	70	19%	0.189	39%	0.387	C	S	.	.			trans	-81.1	81.9	176.4	-174.6	75	-167.1	-163.4	6.6	110.5	E1009 W1021 P1022 K1023 Y1033	E1009-R1019 HydrophobicContact CG-CB 4.49Å; E1009-R1019 WeakPolarHBondContact OE1-CD 3.37Å; E1009-R1019 IonicContact OE1-CZ 3.25Å; E1009-R1019 IonicContact OE1-NE 3.17Å; E1009-R1019 IonicContact OE1-NH1 2.75Å; E1009-R1019 PolarHBondContact OE1-NH1 3.04Å; E1009-R1019 WeakPolarHBondContact OE2-CD 3.15Å; R1019-W1021 VanDerWaalsContact C-N 3.26Å; R1019-W1021 WeakPolarHBondContact CG-O 3.45Å; R1019-W1021 PolarHBondContact NE-O 3.01Å; R1019-W1021 VanDerWaalsContact NH1-CZ2 3.25Å; R1019-W1021 VanDerWaalsContact NH2-CE2 3.28Å; R1019-W1021 PolarHBondContact O-N 2.8Å; R1019-P1022 PolarHBondContact NH2-O 3.09Å; R1019-K1023 VanDerWaalsContact CD-CE 3.5Å; R1019-Y1033 PolarHBondContact O-OH 2.84Å
1020	Y	96.9	Very high	87.1	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	39%	0.387	C	S	.	.			trans	-80.9	6.8	-179.4	65.7	-93	0	0	0	114.8	P983 F991 W992 I1003 M1005 H1018 Y1033 H1069 H1118	P983-Y1020 HydrophobicContact CB-CD1 4.14Å; P983-Y1020 HydrophobicContact CG-CD1 3.62Å; P983-Y1020 HydrophobicContact CG-CE1 4.03Å; P983-Y1020 HydrophobicContact CG-CG 4.07Å; F991-Y1020 AromaticContact CD1-CD2 3.87Å; F991-Y1020 HydrophobicContact CD1-CD2 3.87Å; F991-Y1020 HydrophobicContact CD1-CE2 4.06Å; F991-Y1020 HydrophobicContact CD1-CG 4.37Å; F991-Y1020 AromaticContact CE1-CD2 3.57Å; F991-Y1020 HydrophobicContact CE1-CD2 3.57Å; F991-Y1020 AromaticContact CE1-CE2 3.28Å; F991-Y1020 HydrophobicContact CE1-CE2 3.28Å; F991-Y1020 HydrophobicContact CE1-CG 4.34Å; F991-Y1020 AromaticContact CE1-CZ 3.84Å; F991-Y1020 HydrophobicContact CZ-CD2 4.38Å; F991-Y1020 AromaticContact CZ-CE2 3.77Å; F991-Y1020 HydrophobicContact CZ-CE2 3.77Å; F991-Y1020 AromaticContact CZ-CZ 3.84Å; W992-Y1020 AromaticContact CE2-CD2 3.87Å; W992-Y1020 AromaticContact CZ2-CD2 3.61Å; W992-Y1020 HydrophobicContact CZ2-CD2 3.61Å; W992-Y1020 AromaticContact CZ2-CE2 3.98Å; W992-Y1020 HydrophobicContact CZ2-CE2 3.98Å; W992-Y1020 AromaticContact NE1-CD2 3.87Å; W992-Y1020 PolarHBondContact NE1-O 3.23Å; I1003-Y1020 HydrophobicContact CD1-CE2 4.47Å; I1003-Y1020 WeakPolarHBondContact CG2-OH 3.44Å; M1005-Y1020 HydrophobicContact SD-CE1 4.36Å; H1018-Y1020 WeakPolarHBondContact O-CD1 3.33Å; H1018-Y1020 PolarHBondContact O-N 2.71Å; H1018-Y1020 VanDerWaalsContact O-N 3.09Å; Y1020-Y1033 VanDerWaalsContact C-CZ 3.45Å; Y1020-Y1033 VanDerWaalsContact C-OH 3.22Å; Y1020-Y1033 WeakPolarHBondContact O-CE2 3.49Å; Y1020-Y1033 PolarHBondContact O-OH 3.3Å; Y1020-H1069 AromaticContact CE2-CD2 3.88Å; Y1020-H1069 AromaticContact CZ-CD2 3.77Å; Y1020-H1069 AromaticContact CZ-NE2 3.62Å; Y1020-H1069 PolarHBondContact OH-CD2 2.83Å; Y1020-H1069 VanDerWaalsContact OH-CD2 3.23Å; Y1020-H1069 PolarHBondContact OH-NE2 3.21Å; Y1020-H1069 VanDerWaalsContact OH-NE2 3.14Å; Y1020-H1118 AromaticContact CE1-CE1 3.83Å; Y1020-H1118 AromaticContact CE1-NE2 3.42Å; Y1020-H1118 WeakPolarHBondContact CE1-NE2 3.21Å; Y1020-H1118 AromaticContact CZ-NE2 3.52Å; Y1020-H1118 PolarHBondContact OH-CD2 3.43Å; Y1020-H1118 PolarHBondContact OH-NE2 2.91Å
1021	W	96.4	Very high	87.3	Confident	1 Å²	1	65.4 Å²	65.4	0%	0.004	37%	0.374	C	S	.	.	S	Bend	trans	-140	139.7	178.5	72.2	116.8	0	0	0	111.6	W992 M1005 E1009 R1019 Y1033 L1054 H1069	W992-W1021 HydrophobicContact CZ2-CB 4.42Å; M1005-W1021 HydrophobicContact CE-CH2 3.77Å; M1005-W1021 HydrophobicContact CE-CZ3 4.12Å; M1005-W1021 HydrophobicContact SD-CH2 3.38Å; M1005-W1021 WeakPolarHBondContact SD-CH2 3.24Å; M1005-W1021 HydrophobicContact SD-CZ2 4.11Å; M1005-W1021 HydrophobicContact SD-CZ3 3.76Å; E1009-W1021 HydrophobicContact CG-CH2 4.25Å; R1019-W1021 VanDerWaalsContact C-N 3.26Å; R1019-W1021 WeakPolarHBondContact CG-O 3.45Å; R1019-W1021 PolarHBondContact NE-O 3.01Å; R1019-W1021 VanDerWaalsContact NH1-CZ2 3.25Å; R1019-W1021 VanDerWaalsContact NH2-CE2 3.28Å; R1019-W1021 PolarHBondContact O-N 2.8Å; W1021-Y1033 PolarHBondContact N-OH 3.38Å; W1021-L1054 HydrophobicContact CB-CD1 3.9Å; W1021-L1054 HydrophobicContact CB-CD2 4.3Å; W1021-L1054 HydrophobicContact CG-CD1 4.37Å; W1021-H1069 AromaticContact CD2-CE1 3.97Å; W1021-H1069 AromaticContact CD2-NE2 3.66Å; W1021-H1069 AromaticContact CE2-CE1 3.36Å; W1021-H1069 AromaticContact CE2-ND1 3.98Å; W1021-H1069 AromaticContact CE2-NE2 3.53Å; W1021-H1069 AromaticContact CE3-NE2 3.8Å; W1021-H1069 AromaticContact CH2-CE1 3.95Å; W1021-H1069 AromaticContact CH2-NE2 3.92Å; W1021-H1069 AromaticContact CZ2-CE1 3.36Å; W1021-H1069 WeakPolarHBondContact CZ2-CE1 3.42Å; W1021-H1069 AromaticContact CZ2-NE2 3.69Å; W1021-H1069 AromaticContact CZ3-NE2 3.95Å; W1021-H1069 AromaticContact NE1-CE1 3.61Å; W1021-H1069 AromaticContact NE1-ND1 3.75Å; W1021-H1069 AromaticContact NE1-NE2 4Å
1022	P	93.6	Very high	87.8	Confident	11 Å²	11	68.8 Å²	68.8	7%	0.071	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-66.9	153.7	-173.3	22.9	-28.3	0	0	0	113.4	R1019 S1029 A1031 T1040	R1019-P1022 PolarHBondContact NH2-O 3.09Å; P1022-S1029 VanDerWaalsContact CG-O 3.25Å; P1022-S1029 WeakPolarHBondContact CG-O 3.29Å; P1022-A1031 HydrophobicContact CB-CB 4.15Å; P1022-A1031 HydrophobicContact CG-CB 4.31Å; P1022-T1040 WeakPolarHBondContact CG-OG1 3.39Å; P1022-T1040 PolarHBondContact O-OG1 2.89Å
1023	K	86.1	Confident	88.4	Confident	104 Å²	104	68 Å²	68	45%	0.452	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-84.7	125.8	178.2	-70.9	179.4	-179.9	178.9	0	109.7	E1009 R1019 S1026	E1009-K1023 IonicContact OE1-NZ 2.99Å; E1009-K1023 IonicContact OE2-NZ 2.72Å; E1009-K1023 PolarHBondContact OE2-NZ 3.05Å; R1019-K1023 VanDerWaalsContact CD-CE 3.5Å; K1023-S1026 WeakPolarHBondContact O-CB 3.46Å; K1023-S1026 PolarHBondContact O-N 3.07Å; K1023-S1026 PolarHBondContact O-OG 3.33Å
1024	L	81.9	Confident	89	Confident	89 Å²	89	67 Å²	67	47%	0.466	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	142.3	175	-174.1	66.3	0	0	0	109.8	S1026 T1040 R1043	L1024-S1026 PolarHBondContact O-N 3.14Å; L1024-T1040 HydrophobicContact CB-CG2 3.96Å; L1024-T1040 HydrophobicContact CD1-CG2 4.17Å; L1024-R1043 HydrophobicContact CD2-CB 4.05Å
1025	G	66.6	Low	89.4	Confident	79 Å²	79	62.3 Å²	62.3	81%	0.814	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	0.2	-178.6	0	0	0	0	0	116
1026	S	76.8	Confident	89.7	Confident	55 Å²	55	59.3 Å²	59.3	39%	0.385	33%	0.331	S	S	.	.	S	Bend	trans	-75.2	158.9	168.6	67.7	0	0	0	0	111.6	K1023 L1024 H1028	K1023-S1026 WeakPolarHBondContact O-CB 3.46Å; K1023-S1026 PolarHBondContact O-N 3.07Å; K1023-S1026 PolarHBondContact O-OG 3.33Å; L1024-S1026 PolarHBondContact O-N 3.14Å; S1026-H1028 PolarHBondContact O-N 3.33Å; S1026-H1028 PolarHBondContact OG-O 3.47Å
1027	K	68.9	Low	89.8	Confident	202 Å²	202	60.6 Å²	60.6	88%	0.878	34%	0.337	S	S	*	.	S	Bend	trans	-52	-25.8	-180	-73.9	-170.1	176	-174.1	0	113.9
1028	H	75.3	Confident	89.9	Confident	141 Å²	141	60.5 Å²	60.5	65%	0.653	34%	0.337	S	S	*	.			trans	-129.4	94.6	174.9	-51.9	-57.8	0	0	0	109.1	S1026 S1030	S1026-H1028 PolarHBondContact O-N 3.33Å; S1026-H1028 PolarHBondContact OG-O 3.47Å; H1028-S1030 PolarHBondContact O-N 3.06Å
1029	S	86.3	Confident	89.8	Confident	54 Å²	54	58.3 Å²	58.3	38%	0.378	33%	0.329	S	S	.	.	S	Bend	trans	-65.9	-0.8	174.8	56.2	0	0	0	0	113.9	P1022 T1039 T1040	P1022-S1029 VanDerWaalsContact CG-O 3.25Å; P1022-S1029 WeakPolarHBondContact CG-O 3.29Å; S1029-T1039 WeakPolarHBondContact O-CA 3.18Å; S1029-T1040 PolarHBondContact O-N 3.45Å
1030	S	92.5	Very high	89.9	Confident	32 Å²	32	56.2 Å²	56.2	22%	0.224	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.9	173.7	70	0	0	0	0	112.5	H1028 K1037 V1038 T1039	H1028-S1030 PolarHBondContact O-N 3.06Å; S1030-K1037 VanDerWaalsContact CB-CE 3.47Å; S1030-K1037 WeakPolarHBondContact OG-CE 3.46Å; S1030-V1038 CarbonylContact C-O 3.56Å; S1030-V1038 WeakPolarHBondContact CA-O 3.24Å; S1030-T1039 VanDerWaalsContact CB-OG1 3.31Å; S1030-T1039 WeakPolarHBondContact CB-OG1 3.13Å
1031	A	95.4	Very high	89.7	Confident	30 Å²	30	62.2 Å²	62.2	25%	0.248	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	154.1	171.5	0	0	0	0	0	110.1	P1022 Y1033 V1038	P1022-A1031 HydrophobicContact CB-CB 4.15Å; P1022-A1031 HydrophobicContact CG-CB 4.31Å; A1031-Y1033 HydrophobicContact CB-CE2 3.76Å; A1031-V1038 PolarHBondContact N-O 2.82Å; A1031-V1038 PolarHBondContact O-N 2.85Å
1032	T	96.8	Very high	89.5	Confident	80 Å²	80	66 Å²	66	49%	0.491	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.3	-179.3	-57.3	0	0	0	0	110	G1034 F1036 L1059	T1032-G1034 WeakPolarHBondContact CG2-O 3.35Å; T1032-F1036 CarbonylContact C-O 3.54Å; T1032-F1036 WeakPolarHBondContact CA-O 3.5Å; T1032-L1059 HydrophobicContact CG2-CD1 3.71Å
1033	Y	96.3	Very high	89.5	Confident	35 Å²	35	69.9 Å²	69.9	14%	0.137	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	98	179.1	-54.5	-83.6	0	0	0	108	C988 W992 R1019 Y1020 W1021 A1031 K1035 F1036 V1038	C988-Y1033 HydrophobicContact CB-CD1 3.72Å; C988-Y1033 HydrophobicContact CB-CE1 4.29Å; C988-Y1033 HydrophobicContact CB-CG 4.45Å; W992-Y1033 AromaticContact CD1-CD2 3.57Å; W992-Y1033 AromaticContact CD1-CG 3.67Å; W992-Y1033 AromaticContact NE1-CD2 3.54Å; W992-Y1033 AromaticContact NE1-CE2 3.89Å; W992-Y1033 AromaticContact NE1-CG 3.99Å; R1019-Y1033 PolarHBondContact O-OH 2.84Å; Y1020-Y1033 VanDerWaalsContact C-CZ 3.45Å; Y1020-Y1033 VanDerWaalsContact C-OH 3.22Å; Y1020-Y1033 WeakPolarHBondContact O-CE2 3.49Å; Y1020-Y1033 PolarHBondContact O-OH 3.3Å; W1021-Y1033 PolarHBondContact N-OH 3.38Å; A1031-Y1033 HydrophobicContact CB-CE2 3.76Å; Y1033-K1035 PolarHBondContact O-N 2.85Å; Y1033-F1036 PolarHBondContact N-O 3.32Å; Y1033-F1036 PolarHBondContact O-N 3.22Å; Y1033-F1036 VanDerWaalsContact O-N 3.1Å; Y1033-V1038 HydrophobicContact CD2-CB 4.32Å; Y1033-V1038 HydrophobicContact CD2-CG2 3.8Å; Y1033-V1038 HydrophobicContact CE2-CB 4.14Å; Y1033-V1038 HydrophobicContact CE2-CG2 4.06Å
1034	G	95.3	Very high	89.8	Confident	54 Å²	54	68.7 Å²	68.7	56%	0.557	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	-119.8	-170.7	0	0	0	0	0	111.8	T1032 F1036	T1032-G1034 WeakPolarHBondContact CG2-O 3.35Å; G1034-F1036 VanDerWaalsContact C-N 3.27Å; G1034-F1036 PolarHBondContact O-N 3.38Å
1035	K	96.4	Very high	90.3	Very high	95 Å²	95	68.7 Å²	68.7	41%	0.413	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	1.5	-178.3	-62.4	169.2	-178.6	172.2	0	114.4	Y1033 L1059 L1060	Y1033-K1035 PolarHBondContact O-N 2.85Å; K1035-L1059 WeakPolarHBondContact O-CB 3.49Å; K1035-L1059 WeakPolarHBondContact O-CG 3.43Å; K1035-L1059 PolarHBondContact O-N 2.87Å; K1035-L1060 HydrophobicContact CD-CD1 3.77Å; K1035-L1060 HydrophobicContact CG-CD1 4.2Å; K1035-L1060 HydrophobicContact CG-CG 4.49Å
1036	F	98	Very high	91.3	Very high	6 Å²	6	67.5 Å²	67.5	3%	0.026	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	120.7	-170.6	-55.9	-77.9	0	0	0	112.4	W992 Q993 W996 T1032 Y1033 G1034 V1056 K1057 H1058	W992-F1036 HydrophobicContact CB-CB 3.96Å; W992-F1036 HydrophobicContact CB-CD2 3.83Å; W992-F1036 HydrophobicContact CB-CG 3.99Å; Q993-F1036 VanDerWaalsContact CA-CE2 3.45Å; Q993-F1036 HydrophobicContact CB-CE2 3.78Å; Q993-F1036 HydrophobicContact CB-CZ 4.31Å; Q993-F1036 HydrophobicContact CG-CE2 4.36Å; W996-F1036 HydrophobicContact CB-CD1 4.19Å; W996-F1036 HydrophobicContact CB-CE1 3.46Å; W996-F1036 VanDerWaalsContact CB-CE1 3.46Å; W996-F1036 HydrophobicContact CB-CZ 3.84Å; W996-F1036 AromaticContact CD1-CE1 3.88Å; W996-F1036 HydrophobicContact CD2-CD1 4.31Å; W996-F1036 AromaticContact CD2-CE1 3.82Å; W996-F1036 HydrophobicContact CD2-CE1 3.82Å; W996-F1036 HydrophobicContact CE3-CD1 4.35Å; W996-F1036 HydrophobicContact CE3-CE1 4.31Å; W996-F1036 HydrophobicContact CG-CD1 4.24Å; W996-F1036 AromaticContact CG-CE1 3.41Å; W996-F1036 HydrophobicContact CG-CE1 3.41Å; W996-F1036 VanDerWaalsContact CG-CE1 3.41Å; W996-F1036 HydrophobicContact CG-CZ 4.08Å; T1032-F1036 CarbonylContact C-O 3.54Å; T1032-F1036 WeakPolarHBondContact CA-O 3.5Å; Y1033-F1036 PolarHBondContact N-O 3.32Å; Y1033-F1036 PolarHBondContact O-N 3.22Å; Y1033-F1036 VanDerWaalsContact O-N 3.1Å; G1034-F1036 VanDerWaalsContact C-N 3.27Å; G1034-F1036 PolarHBondContact O-N 3.38Å; F1036-V1056 HydrophobicContact CB-CG1 4.34Å; F1036-V1056 HydrophobicContact CD1-CG1 4.38Å; F1036-K1057 WeakPolarHBondContact CA-O 3.41Å; F1036-H1058 HydrophobicContact CD1-CB 4.09Å; F1036-H1058 AromaticContact CD1-CD2 3.93Å; F1036-H1058 HydrophobicContact CE1-CB 3.93Å; F1036-H1058 AromaticContact CE1-CD2 3.34Å; F1036-H1058 WeakPolarHBondContact CE1-CD2 3.45Å; F1036-H1058 AromaticContact CE1-CG 3.84Å; F1036-H1058 AromaticContact CZ-CD2 3.83Å
1037	K	97.7	Very high	91.9	Very high	80 Å²	80	67.5 Å²	67.5	35%	0.348	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	111.9	171.3	-179	172.3	-178.6	173.4	0	109.8	S1030 K1057 L1059	S1030-K1037 VanDerWaalsContact CB-CE 3.47Å; S1030-K1037 WeakPolarHBondContact OG-CE 3.46Å; K1037-K1057 PolarHBondContact N-O 2.89Å; K1037-K1057 PolarHBondContact O-N 2.63Å; K1037-L1059 HydrophobicContact CB-CD2 3.87Å; K1037-L1059 HydrophobicContact CB-CG 4.3Å
1038	V	98	Very high	93	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	130.9	-179.6	-176.3	0	0	0	0	108.4	W992 S1030 A1031 Y1033 L1054 K1055 V1056	W992-V1038 HydrophobicContact CD2-CG2 3.72Å; W992-V1038 VanDerWaalsContact CE2-CG2 3.49Å; W992-V1038 HydrophobicContact CE3-CG2 4.19Å; W992-V1038 HydrophobicContact CG-CG2 4.14Å; W992-V1038 HydrophobicContact CH2-CG1 4.13Å; W992-V1038 HydrophobicContact CH2-CG2 4.27Å; W992-V1038 HydrophobicContact CZ2-CB 4.45Å; W992-V1038 HydrophobicContact CZ2-CG1 3.87Å; W992-V1038 HydrophobicContact CZ2-CG2 3.78Å; W992-V1038 HydrophobicContact CZ3-CG2 4.44Å; S1030-V1038 CarbonylContact C-O 3.56Å; S1030-V1038 WeakPolarHBondContact CA-O 3.24Å; A1031-V1038 PolarHBondContact N-O 2.82Å; A1031-V1038 PolarHBondContact O-N 2.85Å; Y1033-V1038 HydrophobicContact CD2-CB 4.32Å; Y1033-V1038 HydrophobicContact CD2-CG2 3.8Å; Y1033-V1038 HydrophobicContact CE2-CB 4.14Å; Y1033-V1038 HydrophobicContact CE2-CG2 4.06Å; V1038-L1054 HydrophobicContact CG1-CB 4.24Å; V1038-L1054 HydrophobicContact CG1-CD1 4.25Å; V1038-L1054 HydrophobicContact CG1-CD2 4.4Å; V1038-K1055 CarbonylContact C-O 3.58Å; V1038-V1056 HydrophobicContact CG2-CG1 4.47Å; V1038-V1056 HydrophobicContact CG2-CG2 4.42Å
1039	T	96.1	Very high	94	Very high	27 Å²	27	53.5 Å²	53.5	17%	0.166	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.8	-179.8	-51.7	0	0	0	0	110.2	S1029 S1030 K1041 K1055	S1029-T1039 WeakPolarHBondContact O-CA 3.18Å; S1030-T1039 VanDerWaalsContact CB-OG1 3.31Å; S1030-T1039 WeakPolarHBondContact CB-OG1 3.13Å; T1039-K1041 PolarHBondContact O-N 2.99Å; T1039-K1055 PolarHBondContact N-O 3.29Å; T1039-K1055 PolarHBondContact O-N 3.41Å
1040	T	96.3	Very high	94.4	Very high	5 Å²	5	51 Å²	51	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	122.6	175.7	-61.1	0	0	0	0	109.2	P1022 L1024 S1029 T1052 L1054	P1022-T1040 WeakPolarHBondContact CG-OG1 3.39Å; P1022-T1040 PolarHBondContact O-OG1 2.89Å; L1024-T1040 HydrophobicContact CB-CG2 3.96Å; L1024-T1040 HydrophobicContact CD1-CG2 4.17Å; S1029-T1040 PolarHBondContact O-N 3.45Å; T1040-T1052 HydrophobicContact CG2-CG2 3.63Å; T1040-L1054 HydrophobicContact CG2-CD2 4.21Å; T1040-L1054 VanDerWaalsContact OG1-CD2 3.25Å; T1040-L1054 WeakPolarHBondContact OG1-CD2 3.4Å
1041	K	93.6	Very high	94.6	Very high	126 Å²	126	49.5 Å²	49.5	55%	0.548	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-49.2	-177	-70.5	-61.2	-168	173.2	0	112.5	T1039 G1053 K1055	T1039-K1041 PolarHBondContact O-N 2.99Å; K1041-G1053 PolarHBondContact N-O 3.17Å; K1041-K1055 HydrophobicContact CG-CB 4.1Å
1042	F	91.8	Very high	94.7	Very high	81 Å²	81	48.1 Å²	48.1	36%	0.355	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	163.6	177.5	59.5	-95.3	0	0	0	109.8	T1052 G1053 W1068	F1042-T1052 WeakPolarHBondContact O-CA 3.49Å; F1042-T1052 WeakPolarHBondContact O-CG2 3.41Å; F1042-G1053 PolarHBondContact O-N 2.92Å; F1042-W1068 HydrophobicContact CE2-CE3 4.36Å; F1042-W1068 HydrophobicContact CE2-CH2 4.34Å; F1042-W1068 AromaticContact CE2-CZ3 3.79Å; F1042-W1068 HydrophobicContact CE2-CZ3 3.79Å; F1042-W1068 HydrophobicContact CZ-CE3 4.18Å; F1042-W1068 AromaticContact CZ-CH2 3.75Å; F1042-W1068 HydrophobicContact CZ-CH2 3.75Å; F1042-W1068 HydrophobicContact CZ-CZ2 4.45Å; F1042-W1068 AromaticContact CZ-CZ3 3.59Å; F1042-W1068 HydrophobicContact CZ-CZ3 3.59Å
1043	R	92.7	Very high	94.7	Very high	92 Å²	92	44.4 Å²	44.4	35%	0.347	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	118.2	168	178.4	174.9	173.6	-79.6	2.6	109	L1024 D1045 A1050 T1051 T1052	L1024-R1043 HydrophobicContact CD2-CB 4.05Å; R1043-D1045 IonicContact CZ-OD2 3.32Å; R1043-D1045 IonicContact NH1-OD2 2.65Å; R1043-D1045 PolarHBondContact NH1-OD2 2.98Å; R1043-D1045 IonicContact NH2-OD2 3.56Å; R1043-D1045 PolarHBondContact NH2-OD2 2.84Å; R1043-A1050 HydrophobicContact CG-CB 4.47Å; R1043-T1051 CarbonylContact C-O 3.59Å; R1043-T1051 WeakPolarHBondContact CA-O 3.42Å; R1043-T1052 HydrophobicContact CB-CG2 4.29Å; R1043-T1052 WeakPolarHBondContact CG-OG1 3.44Å
1044	T	92.7	Very high	94.8	Very high	80 Å²	80	42.8 Å²	42.8	49%	0.491	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	143.4	166.7	-50	0	0	0	0	108.1	A1050 T1051	T1044-A1050 CarbonylContact O-C 3.56Å; T1044-A1050 VanDerWaalsContact O-CA 3.3Å; T1044-A1050 WeakPolarHBondContact O-CA 3.05Å; T1044-A1050 WeakPolarHBondContact O-CB 3.27Å; T1044-T1051 PolarHBondContact N-O 3Å; T1044-T1051 PolarHBondContact O-N 3.43Å
1045	D	92.7	Very high	94.9	Very high	89 Å²	89	43.1 Å²	43.1	48%	0.476	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.8	177	-157	-41.2	0	0	0	108.5	R1043 G1047 A1050	R1043-D1045 IonicContact CZ-OD2 3.32Å; R1043-D1045 IonicContact NH1-OD2 2.65Å; R1043-D1045 PolarHBondContact NH1-OD2 2.98Å; R1043-D1045 IonicContact NH2-OD2 3.56Å; R1043-D1045 PolarHBondContact NH2-OD2 2.84Å; D1045-G1047 PolarHBondContact OD1-N 2.94Å; D1045-A1050 HydrophobicContact CB-CB 4.43Å
1046	S	88.5	Confident	95	Very high	54 Å²	54	38.7 Å²	38.7	38%	0.378	20%	0.204	S	C	.	.			trans	-106.1	12.5	-178.1	-54.2	0	0	0	0	111.4	C1048 Y1049	S1046-C1048 VanDerWaalsContact C-N 3.32Å; S1046-C1048 PolarHBondContact O-N 3.45Å; S1046-Y1049 WeakPolarHBondContact CA-O 3.13Å; S1046-Y1049 WeakPolarHBondContact CB-O 3.46Å; S1046-Y1049 PolarHBondContact N-O 2.76Å; S1046-Y1049 WeakPolarHBondContact OG-CE2 3.25Å
1047	G	89.8	Confident	95	Very high	54 Å²	54	41.7 Å²	41.7	56%	0.557	22%	0.217	S	C	*	.	S	Bend	trans	81.9	-68.1	-179.1	0	0	0	0	0	112.9	D1045 Y1049 T1073	D1045-G1047 PolarHBondContact OD1-N 2.94Å; G1047-Y1049 VanDerWaalsContact C-N 3.34Å; G1047-T1073 PolarHBondContact O-OG1 3.46Å; G1047-T1073 VanDerWaalsContact O-OG1 3.05Å
1048	C	90.9	Very high	94.9	Very high	22 Å²	22	39.2 Å²	39.2	15%	0.149	21%	0.207	C	C	.	.	S	Bend	trans	-77.1	-21.4	179.5	56.2	0	0	0	0	113.3	S1046 Y1072 T1073 D1074 G1086	S1046-C1048 VanDerWaalsContact C-N 3.32Å; S1046-C1048 PolarHBondContact O-N 3.45Å; C1048-Y1072 HydrophobicContact CB-CE2 4.42Å; C1048-Y1072 VanDerWaalsContact O-CD2 3.27Å; C1048-Y1072 WeakPolarHBondContact O-CD2 2.81Å; C1048-Y1072 WeakPolarHBondContact O-CE2 3.5Å; C1048-T1073 VanDerWaalsContact C-OG1 3.23Å; C1048-T1073 PolarHBondContact O-N 3.46Å; C1048-T1073 PolarHBondContact O-OG1 3.07Å; C1048-T1073 VanDerWaalsContact O-OG1 3.07Å; C1048-D1074 HydrophobicContact CB-CB 4.19Å; C1048-D1074 PolarHBondContact O-N 3.18Å; C1048-G1086 VanDerWaalsContact SG-CA 3.57Å
1049	Y	95.6	Very high	94.9	Very high	28 Å²	28	43 Å²	43	11%	0.11	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	170.4	170.4	64.3	-94.3	0	0	0	111.8	S1046 G1047 Q1071 T1073 S1089 Y1090 E1093	S1046-Y1049 WeakPolarHBondContact CA-O 3.13Å; S1046-Y1049 WeakPolarHBondContact CB-O 3.46Å; S1046-Y1049 PolarHBondContact N-O 2.76Å; S1046-Y1049 WeakPolarHBondContact OG-CE2 3.25Å; G1047-Y1049 VanDerWaalsContact C-N 3.34Å; Y1049-Q1071 CarbonylContact C-O 3.55Å; Y1049-Q1071 WeakPolarHBondContact CA-O 3.47Å; Y1049-Q1071 WeakPolarHBondContact CB-O 3.27Å; Y1049-T1073 WeakPolarHBondContact CA-OG1 3.24Å; Y1049-T1073 PolarHBondContact N-OG1 2.93Å; Y1049-S1089 VanDerWaalsContact CE1-O 3.29Å; Y1049-S1089 WeakPolarHBondContact CE1-O 3.33Å; Y1049-S1089 PolarHBondContact OH-O 2.78Å; Y1049-Y1090 VanDerWaalsContact CB-CD2 3.49Å; Y1049-Y1090 HydrophobicContact CD1-CD2 4.15Å; Y1049-Y1090 HydrophobicContact CD1-CG 4.45Å; Y1049-Y1090 HydrophobicContact CD2-CD2 4.27Å; Y1049-Y1090 AromaticContact CG-CD2 3.73Å; Y1049-Y1090 HydrophobicContact CG-CD2 3.73Å; Y1049-Y1090 HydrophobicContact CG-CG 4.45Å; Y1049-E1093 HydrophobicContact CD2-CG 4.31Å; Y1049-E1093 HydrophobicContact CE2-CB 3.84Å; Y1049-E1093 HydrophobicContact CE2-CG 3.67Å
1050	A	95.9	Very high	94.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	130.4	175.6	0	0	0	0	0	113.4	R1043 T1044 D1045 Q1071	R1043-A1050 HydrophobicContact CG-CB 4.47Å; T1044-A1050 CarbonylContact O-C 3.56Å; T1044-A1050 VanDerWaalsContact O-CA 3.3Å; T1044-A1050 WeakPolarHBondContact O-CA 3.05Å; T1044-A1050 WeakPolarHBondContact O-CB 3.27Å; D1045-A1050 HydrophobicContact CB-CB 4.43Å; A1050-Q1071 PolarHBondContact N-O 3.46Å; A1050-Q1071 PolarHBondContact O-N 3.36Å
1051	T	97.3	Very high	94.7	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.012	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.5	-177	-63.2	0	0	0	0	110.7	R1043 T1044 W1068 L1070 E1093	R1043-T1051 CarbonylContact C-O 3.59Å; R1043-T1051 WeakPolarHBondContact CA-O 3.42Å; T1044-T1051 PolarHBondContact N-O 3Å; T1044-T1051 PolarHBondContact O-N 3.43Å; T1051-W1068 HydrophobicContact CG2-CE3 3.7Å; T1051-W1068 HydrophobicContact CG2-CZ3 4.1Å; T1051-L1070 HydrophobicContact CG2-CD1 4.25Å; T1051-L1070 HydrophobicContact CG2-CG 4.26Å; T1051-E1093 VanDerWaalsContact CB-OE1 3.24Å; T1051-E1093 WeakPolarHBondContact CB-OE1 3.48Å; T1051-E1093 WeakPolarHBondContact CG2-OE1 3.41Å; T1051-E1093 PolarHBondContact OG1-OE1 3.36Å
1052	T	96.9	Very high	94.8	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.7	-174.4	-52	0	0	0	0	110.7	T1040 F1042 R1043 L1054 H1069	T1040-T1052 HydrophobicContact CG2-CG2 3.63Å; F1042-T1052 WeakPolarHBondContact O-CA 3.49Å; F1042-T1052 WeakPolarHBondContact O-CG2 3.41Å; R1043-T1052 HydrophobicContact CB-CG2 4.29Å; R1043-T1052 WeakPolarHBondContact CG-OG1 3.44Å; T1052-L1054 HydrophobicContact CG2-CD2 3.68Å; T1052-L1054 HydrophobicContact CG2-CG 4.32Å; T1052-H1069 WeakPolarHBondContact CB-O 3.28Å; T1052-H1069 PolarHBondContact N-O 3.12Å; T1052-H1069 PolarHBondContact O-N 3.49Å
1053	G	96.9	Very high	94.9	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	115.7	173.4	0	0	0	0	0	111.4	K1041 F1042	K1041-G1053 PolarHBondContact N-O 3.17Å; F1042-G1053 PolarHBondContact O-N 2.92Å
1054	L	97.8	Very high	95.1	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.4	178.8	-54.2	178.9	0	0	0	110.5	W992 W1021 V1038 T1040 T1052 T1066 V1067 H1069	W992-L1054 HydrophobicContact CH2-CD1 3.71Å; W992-L1054 HydrophobicContact CZ2-CD1 4.19Å; W1021-L1054 HydrophobicContact CB-CD1 3.9Å; W1021-L1054 HydrophobicContact CB-CD2 4.3Å; W1021-L1054 HydrophobicContact CG-CD1 4.37Å; V1038-L1054 HydrophobicContact CG1-CB 4.24Å; V1038-L1054 HydrophobicContact CG1-CD1 4.25Å; V1038-L1054 HydrophobicContact CG1-CD2 4.4Å; T1040-L1054 HydrophobicContact CG2-CD2 4.21Å; T1040-L1054 VanDerWaalsContact OG1-CD2 3.25Å; T1040-L1054 WeakPolarHBondContact OG1-CD2 3.4Å; T1052-L1054 HydrophobicContact CG2-CD2 3.68Å; T1052-L1054 HydrophobicContact CG2-CG 4.32Å; L1054-T1066 CarbonylContact O-C 3.56Å; L1054-T1066 WeakPolarHBondContact O-CA 3.32Å; L1054-V1067 WeakPolarHBondContact CA-O 3.41Å; L1054-V1067 VanDerWaalsContact CB-O 3.31Å; L1054-V1067 WeakPolarHBondContact CB-O 3.3Å; L1054-V1067 PolarHBondContact N-O 2.95Å; L1054-V1067 PolarHBondContact O-N 2.96Å; L1054-H1069 HydrophobicContact CD1-CB 3.71Å; L1054-H1069 HydrophobicContact CG-CB 4.22Å
1055	K	97.3	Very high	95.1	Very high	61 Å²	61	46.3 Å²	46.3	27%	0.265	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	113	167	-164.5	-173.5	-168.3	-157.8	0	108.8	V1038 T1039 K1041 E1064	V1038-K1055 CarbonylContact C-O 3.58Å; T1039-K1055 PolarHBondContact N-O 3.29Å; T1039-K1055 PolarHBondContact O-N 3.41Å; K1041-K1055 HydrophobicContact CG-CB 4.1Å; K1055-E1064 VanDerWaalsContact CE-OE1 3.27Å; K1055-E1064 WeakPolarHBondContact CE-OE1 3.38Å; K1055-E1064 VanDerWaalsContact CE-OE2 3.31Å; K1055-E1064 WeakPolarHBondContact CE-OE2 3.31Å; K1055-E1064 IonicContact NZ-OE1 2.68Å; K1055-E1064 PolarHBondContact NZ-OE1 3.36Å; K1055-E1064 IonicContact NZ-OE2 2.69Å; K1055-E1064 PolarHBondContact NZ-OE2 2.94Å
1056	V	97.9	Very high	95.3	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	122.5	178.1	-174.2	0	0	0	0	108.5	W992 W996 F1036 V1038 E1064 R1065 V1067	W992-V1056 HydrophobicContact CE3-CG1 4.31Å; W992-V1056 HydrophobicContact CE3-CG2 3.99Å; W992-V1056 HydrophobicContact CH2-CG2 4.17Å; W992-V1056 HydrophobicContact CZ3-CG2 3.52Å; W996-V1056 HydrophobicContact CE3-CG1 4.04Å; W996-V1056 HydrophobicContact CZ3-CG1 4.27Å; F1036-V1056 HydrophobicContact CB-CG1 4.34Å; F1036-V1056 HydrophobicContact CD1-CG1 4.38Å; V1038-V1056 HydrophobicContact CG2-CG1 4.47Å; V1038-V1056 HydrophobicContact CG2-CG2 4.42Å; V1056-E1064 CarbonylContact O-C 3.54Å; V1056-E1064 VanDerWaalsContact O-CA 3.25Å; V1056-E1064 WeakPolarHBondContact O-CA 3.48Å; V1056-R1065 PolarHBondContact N-O 3.32Å; V1056-R1065 PolarHBondContact O-N 3.4Å; V1056-V1067 HydrophobicContact CG2-CB 4.16Å; V1056-V1067 HydrophobicContact CG2-CG2 3.74Å
1057	K	97.6	Very high	95.7	Very high	69 Å²	69	43.1 Å²	43.1	30%	0.3	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.6	171.9	-178.5	174.9	-178.8	87.2	0	109.6	F1036 K1037 L1059 G1062 Q1063 E1064	F1036-K1057 WeakPolarHBondContact CA-O 3.41Å; K1037-K1057 PolarHBondContact N-O 2.89Å; K1037-K1057 PolarHBondContact O-N 2.63Å; K1057-L1059 PolarHBondContact O-N 3.23Å; K1057-G1062 PolarHBondContact NZ-O 2.69Å; K1057-Q1063 WeakPolarHBondContact CA-O 3.49Å; K1057-E1064 HydrophobicContact CB-CG 3.88Å; K1057-E1064 HydrophobicContact CD-CG 4.16Å; K1057-E1064 HydrophobicContact CG-CG 3.78Å
1058	H	97.6	Very high	96.1	Very high	29 Å²	29	42.8 Å²	42.8	13%	0.134	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	120.9	166.4	178.6	-134.3	0	0	0	108.6	W996 F1036 L1060 S1061 G1062 Q1063	W996-H1058 HydrophobicContact CD2-CB 4.05Å; W996-H1058 HydrophobicContact CE3-CB 4.31Å; W996-H1058 HydrophobicContact CH2-CB 3.87Å; W996-H1058 HydrophobicContact CZ2-CB 3.55Å; W996-H1058 HydrophobicContact CZ3-CB 4.23Å; F1036-H1058 HydrophobicContact CD1-CB 4.09Å; F1036-H1058 AromaticContact CD1-CD2 3.93Å; F1036-H1058 HydrophobicContact CE1-CB 3.93Å; F1036-H1058 AromaticContact CE1-CD2 3.34Å; F1036-H1058 WeakPolarHBondContact CE1-CD2 3.45Å; F1036-H1058 AromaticContact CE1-CG 3.84Å; F1036-H1058 AromaticContact CZ-CD2 3.83Å; H1058-L1060 PolarHBondContact O-N 2.91Å; H1058-S1061 PolarHBondContact ND1-N 2.84Å; H1058-S1061 PolarHBondContact ND1-OG 3.17Å; H1058-G1062 WeakPolarHBondContact O-CA 3.3Å; H1058-G1062 PolarHBondContact O-N 3.33Å; H1058-Q1063 PolarHBondContact N-O 2.72Å
1059	L	96.6	Very high	96.5	Very high	78 Å²	78	41.8 Å²	41.8	41%	0.408	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-28.5	-169.6	-68.3	175.6	0	0	0	113.1	T1032 K1035 K1037 K1057	T1032-L1059 HydrophobicContact CG2-CD1 3.71Å; K1035-L1059 WeakPolarHBondContact O-CB 3.49Å; K1035-L1059 WeakPolarHBondContact O-CG 3.43Å; K1035-L1059 PolarHBondContact O-N 2.87Å; K1037-L1059 HydrophobicContact CB-CD2 3.87Å; K1037-L1059 HydrophobicContact CB-CG 4.3Å; K1057-L1059 PolarHBondContact O-N 3.23Å
1060	L	94.4	Very high	96.6	Very high	128 Å²	128	40.4 Å²	40.4	67%	0.67	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-40.9	-177.7	-54.4	179.8	0	0	0	113.2	K1035 H1058	K1035-L1060 HydrophobicContact CD-CD1 3.77Å; K1035-L1060 HydrophobicContact CG-CD1 4.2Å; K1035-L1060 HydrophobicContact CG-CG 4.49Å; H1058-L1060 PolarHBondContact O-N 2.91Å
1061	S	95.1	Very high	96.7	Very high	57 Å²	57	41 Å²	41	40%	0.399	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-5.6	176.9	66.2	0	0	0	0	113.7	H1058 Q1063	H1058-S1061 PolarHBondContact ND1-N 2.84Å; H1058-S1061 PolarHBondContact ND1-OG 3.17Å; S1061-Q1063 PolarHBondContact O-N 3.41Å; S1061-Q1063 PolarHBondContact OG-OE1 2.93Å
1062	G	94.1	Very high	96.7	Very high	31 Å²	31	41 Å²	41	32%	0.32	21%	0.211	S	C	.	.			trans	68.1	-10.2	-176	0	0	0	0	0	115.4	K1057 H1058	K1057-G1062 PolarHBondContact NZ-O 2.69Å; H1058-G1062 WeakPolarHBondContact O-CA 3.3Å; H1058-G1062 PolarHBondContact O-N 3.33Å
1063	Q	95.4	Very high	96.5	Very high	117 Å²	117	43.7 Å²	43.7	55%	0.547	23%	0.228	S	C	.	.			trans	-63	153.1	-178	-69.7	166.1	-33.7	0	0	112.3	W996 K1057 H1058 S1061	W996-Q1063 HydrophobicContact CH2-CB 3.9Å; W996-Q1063 WeakPolarHBondContact CH2-O 3.44Å; W996-Q1063 HydrophobicContact CZ2-CB 3.83Å; K1057-Q1063 WeakPolarHBondContact CA-O 3.49Å; H1058-Q1063 PolarHBondContact N-O 2.72Å; S1061-Q1063 PolarHBondContact O-N 3.41Å; S1061-Q1063 PolarHBondContact OG-OE1 2.93Å
1064	E	95.8	Very high	96.2	Very high	97 Å²	97	47.2 Å²	47.2	45%	0.453	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.5	-175.9	-55.3	-177.1	109.7	0	0	111.1	K1055 V1056 K1057	K1055-E1064 VanDerWaalsContact CE-OE1 3.27Å; K1055-E1064 WeakPolarHBondContact CE-OE1 3.38Å; K1055-E1064 VanDerWaalsContact CE-OE2 3.31Å; K1055-E1064 WeakPolarHBondContact CE-OE2 3.31Å; K1055-E1064 IonicContact NZ-OE1 2.68Å; K1055-E1064 PolarHBondContact NZ-OE1 3.36Å; K1055-E1064 IonicContact NZ-OE2 2.69Å; K1055-E1064 PolarHBondContact NZ-OE2 2.94Å; V1056-E1064 CarbonylContact O-C 3.54Å; V1056-E1064 VanDerWaalsContact O-CA 3.25Å; V1056-E1064 WeakPolarHBondContact O-CA 3.48Å; K1057-E1064 HydrophobicContact CB-CG 3.88Å; K1057-E1064 HydrophobicContact CD-CG 4.16Å; K1057-E1064 HydrophobicContact CG-CG 3.78Å
1065	R	93.8	Very high	95.9	Very high	52 Å²	52	47.8 Å²	47.8	20%	0.196	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144.5	176.4	-165.5	-170	-61.9	159.6	3.3	110	V995 W996 V1000 N1001 V1056	V995-R1065 PolarHBondContact O-NH1 2.83Å; W996-R1065 HydrophobicContact CH2-CB 4.38Å; W996-R1065 HydrophobicContact CZ3-CB 3.83Å; W996-R1065 PolarHBondContact O-NH1 3.06Å; W996-R1065 PolarHBondContact O-NH2 3.2Å; V1000-R1065 PolarHBondContact O-NH1 3.17Å; V1000-R1065 VanDerWaalsContact O-NH1 3.08Å; N1001-R1065 WeakPolarHBondContact OD1-CD 3.41Å; V1056-R1065 PolarHBondContact N-O 3.32Å; V1056-R1065 PolarHBondContact O-N 3.4Å
1066	T	95.5	Very high	95.5	Very high	75 Å²	75	47.1 Å²	47.1	46%	0.46	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	128.4	166.4	-58	0	0	0	0	109.1	L1054	L1054-T1066 CarbonylContact O-C 3.56Å; L1054-T1066 WeakPolarHBondContact O-CA 3.32Å
1067	V	98	Very high	94.4	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.1	175	-179.9	0	0	0	0	108.2	W992 V995 N1001 I1003 L1054 V1056	W992-V1067 HydrophobicContact CZ3-CG1 4.48Å; V995-V1067 HydrophobicContact CG1-CG1 4.35Å; V995-V1067 HydrophobicContact CG1-CG2 4.12Å; N1001-V1067 WeakPolarHBondContact O-CA 3.46Å; I1003-V1067 HydrophobicContact CD1-CG1 3.63Å; I1003-V1067 HydrophobicContact CG1-CG1 3.84Å; L1054-V1067 WeakPolarHBondContact CA-O 3.41Å; L1054-V1067 VanDerWaalsContact CB-O 3.31Å; L1054-V1067 WeakPolarHBondContact CB-O 3.3Å; L1054-V1067 PolarHBondContact N-O 2.95Å; L1054-V1067 PolarHBondContact O-N 2.96Å; V1056-V1067 HydrophobicContact CG2-CB 4.16Å; V1056-V1067 HydrophobicContact CG2-CG2 3.74Å
1068	W	98.1	Very high	93.4	Very high	47 Å²	47	57 Å²	57	18%	0.178	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124.3	178.4	-63.7	81.7	0	0	0	109.6	N1001 V1002 I1003 F1042 T1051 L1070 V1097	N1001-W1068 PolarHBondContact O-N 2.93Å; V1002-W1068 CarbonylContact C-O 3.55Å; V1002-W1068 WeakPolarHBondContact CA-O 3.21Å; I1003-W1068 PolarHBondContact N-O 3.03Å; F1042-W1068 HydrophobicContact CE2-CE3 4.36Å; F1042-W1068 HydrophobicContact CE2-CH2 4.34Å; F1042-W1068 AromaticContact CE2-CZ3 3.79Å; F1042-W1068 HydrophobicContact CE2-CZ3 3.79Å; F1042-W1068 HydrophobicContact CZ-CE3 4.18Å; F1042-W1068 AromaticContact CZ-CH2 3.75Å; F1042-W1068 HydrophobicContact CZ-CH2 3.75Å; F1042-W1068 HydrophobicContact CZ-CZ2 4.45Å; F1042-W1068 AromaticContact CZ-CZ3 3.59Å; F1042-W1068 HydrophobicContact CZ-CZ3 3.59Å; T1051-W1068 HydrophobicContact CG2-CE3 3.7Å; T1051-W1068 HydrophobicContact CG2-CZ3 4.1Å; W1068-L1070 HydrophobicContact CB-CD1 3.77Å; W1068-V1097 HydrophobicContact CB-CG1 3.51Å; W1068-V1097 HydrophobicContact CD2-CG1 3.78Å; W1068-V1097 HydrophobicContact CE3-CG1 4.24Å; W1068-V1097 HydrophobicContact CE3-CG2 4.35Å; W1068-V1097 HydrophobicContact CG-CG1 3.45Å; W1068-V1097 VanDerWaalsContact CG-CG1 3.45Å
1069	H	98.4	Very high	92.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	103.8	-179.1	172.6	-68.9	0	0	0	110	Y1020 W1021 T1052 L1054	Y1020-H1069 AromaticContact CE2-CD2 3.88Å; Y1020-H1069 AromaticContact CZ-CD2 3.77Å; Y1020-H1069 AromaticContact CZ-NE2 3.62Å; Y1020-H1069 PolarHBondContact OH-CD2 2.83Å; Y1020-H1069 VanDerWaalsContact OH-CD2 3.23Å; Y1020-H1069 PolarHBondContact OH-NE2 3.21Å; Y1020-H1069 VanDerWaalsContact OH-NE2 3.14Å; W1021-H1069 AromaticContact CD2-CE1 3.97Å; W1021-H1069 AromaticContact CD2-NE2 3.66Å; W1021-H1069 AromaticContact CE2-CE1 3.36Å; W1021-H1069 AromaticContact CE2-ND1 3.98Å; W1021-H1069 AromaticContact CE2-NE2 3.53Å; W1021-H1069 AromaticContact CE3-NE2 3.8Å; W1021-H1069 AromaticContact CH2-CE1 3.95Å; W1021-H1069 AromaticContact CH2-NE2 3.92Å; W1021-H1069 AromaticContact CZ2-CE1 3.36Å; W1021-H1069 WeakPolarHBondContact CZ2-CE1 3.42Å; W1021-H1069 AromaticContact CZ2-NE2 3.69Å; W1021-H1069 AromaticContact CZ3-NE2 3.95Å; W1021-H1069 AromaticContact NE1-CE1 3.61Å; W1021-H1069 AromaticContact NE1-ND1 3.75Å; W1021-H1069 AromaticContact NE1-NE2 4Å; T1052-H1069 WeakPolarHBondContact CB-O 3.28Å; T1052-H1069 PolarHBondContact N-O 3.12Å; T1052-H1069 PolarHBondContact O-N 3.49Å; L1054-H1069 HydrophobicContact CD1-CB 3.71Å; L1054-H1069 HydrophobicContact CG-CB 4.22Å
1070	L	98.4	Very high	92.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	107.4	-175.2	-68.4	63.3	0	0	0	108.5	V1002 I1003 M1005 T1051 W1068 Y1090 E1093 I1094 V1097	V1002-L1070 HydrophobicContact CG1-CD1 3.97Å; V1002-L1070 HydrophobicContact CG1-CD2 4.5Å; I1003-L1070 PolarHBondContact O-N 3.48Å; M1005-L1070 PolarHBondContact N-O 3.07Å; T1051-L1070 HydrophobicContact CG2-CD1 4.25Å; T1051-L1070 HydrophobicContact CG2-CG 4.26Å; W1068-L1070 HydrophobicContact CB-CD1 3.77Å; L1070-Y1090 HydrophobicContact CB-CE2 3.95Å; L1070-Y1090 PolarHBondContact O-OH 3.27Å; L1070-E1093 HydrophobicContact CD2-CB 4.5Å; L1070-E1093 HydrophobicContact CD2-CG 3.74Å; L1070-E1093 HydrophobicContact CG-CG 4.24Å; L1070-I1094 HydrophobicContact CD2-CB 4.25Å; L1070-I1094 HydrophobicContact CD2-CG1 3.62Å; L1070-V1097 HydrophobicContact CD1-CG1 4.31Å; L1070-V1097 HydrophobicContact CD1-CG2 4.48Å; L1070-V1097 HydrophobicContact CD2-CB 4.43Å; L1070-V1097 HydrophobicContact CD2-CG2 4.29Å
1071	Q	98	Very high	92.5	Very high	13 Å²	13	49.4 Å²	49.4	6%	0.061	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	115.6	-179.1	-174	173.4	17.4	0	0	111.2	M1005 T1007 Y1049 A1050 T1073	M1005-Q1071 HydrophobicContact CB-CB 4.33Å; M1005-Q1071 HydrophobicContact CB-CG 4.25Å; M1005-Q1071 HydrophobicContact CG-CG 4.02Å; M1005-Q1071 CarbonylContact O-C 3.6Å; M1005-Q1071 WeakPolarHBondContact O-CA 3.12Å; M1005-Q1071 HydrophobicContact SD-CG 4.2Å; T1007-Q1071 PolarHBondContact O-NE2 2.89Å; Y1049-Q1071 CarbonylContact C-O 3.55Å; Y1049-Q1071 WeakPolarHBondContact CA-O 3.47Å; Y1049-Q1071 WeakPolarHBondContact CB-O 3.27Å; A1050-Q1071 PolarHBondContact N-O 3.46Å; A1050-Q1071 PolarHBondContact O-N 3.36Å; Q1071-T1073 HydrophobicContact CG-CG2 4.22Å
1072	Y	97.3	Very high	92.2	Very high	1 Å²	1	55.9 Å²	55.9	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	122.4	167.1	-172.6	-104.7	0	0	0	109.5	M1005 V1006 C1048 D1074 W1075 P1081 F1087 Y1090	M1005-Y1072 PolarHBondContact O-N 2.94Å; V1006-Y1072 HydrophobicContact CG1-CD1 4.45Å; C1048-Y1072 HydrophobicContact CB-CE2 4.42Å; C1048-Y1072 VanDerWaalsContact O-CD2 3.27Å; C1048-Y1072 WeakPolarHBondContact O-CD2 2.81Å; C1048-Y1072 WeakPolarHBondContact O-CE2 3.5Å; Y1072-D1074 HydrophobicContact CE1-CB 4.33Å; Y1072-W1075 HydrophobicContact CD1-CB 4.07Å; Y1072-W1075 HydrophobicContact CD1-CE3 4.18Å; Y1072-W1075 HydrophobicContact CE1-CB 3.97Å; Y1072-W1075 HydrophobicContact CE1-CE3 4.09Å; Y1072-P1081 HydrophobicContact CE1-CG 3.73Å; Y1072-P1081 VanDerWaalsContact OH-CB 3.29Å; Y1072-P1081 WeakPolarHBondContact OH-CB 3.43Å; Y1072-P1081 WeakPolarHBondContact OH-CG 3.39Å; Y1072-F1087 HydrophobicContact CD1-CD2 4.47Å; Y1072-F1087 HydrophobicContact CD2-CD2 4.35Å; Y1072-F1087 HydrophobicContact CE1-CD2 4.1Å; Y1072-F1087 HydrophobicContact CE2-CB 4.23Å; Y1072-F1087 AromaticContact CE2-CD2 3.99Å; Y1072-F1087 HydrophobicContact CE2-CD2 3.99Å; Y1072-F1087 AromaticContact CZ-CD2 3.85Å; Y1072-Y1090 AromaticContact CD2-CD1 3.9Å; Y1072-Y1090 HydrophobicContact CD2-CD1 3.9Å; Y1072-Y1090 HydrophobicContact CD2-CD2 4.18Å; Y1072-Y1090 AromaticContact CD2-CG 3.68Å; Y1072-Y1090 HydrophobicContact CD2-CG 3.68Å; Y1072-Y1090 HydrophobicContact CG-CD1 4.13Å; Y1072-Y1090 HydrophobicContact CG-CE1 4.37Å; Y1072-Y1090 HydrophobicContact CG-CG 4.25Å
1073	T	92.6	Very high	92	Very high	57 Å²	57	57.6 Å²	57.6	35%	0.35	30%	0.297	S	S	.	.			trans	-103.9	-22.6	-170.7	35.3	0	0	0	0	113.5	G1047 C1048 Y1049 Q1071 W1075	G1047-T1073 PolarHBondContact O-OG1 3.46Å; G1047-T1073 VanDerWaalsContact O-OG1 3.05Å; C1048-T1073 VanDerWaalsContact C-OG1 3.23Å; C1048-T1073 PolarHBondContact O-N 3.46Å; C1048-T1073 PolarHBondContact O-OG1 3.07Å; C1048-T1073 VanDerWaalsContact O-OG1 3.07Å; Y1049-T1073 WeakPolarHBondContact CA-OG1 3.24Å; Y1049-T1073 PolarHBondContact N-OG1 2.93Å; Q1071-T1073 HydrophobicContact CG-CG2 4.22Å; T1073-W1075 PolarHBondContact O-N 2.99Å
1074	D	91.1	Very high	91.9	Very high	76 Å²	76	53 Å²	53	41%	0.406	28%	0.277	S	S	.	.			trans	-90.2	18.9	-170.7	-155.2	50.8	0	0	0	115.3	C1048 Y1072 P1076	C1048-D1074 HydrophobicContact CB-CB 4.19Å; C1048-D1074 PolarHBondContact O-N 3.18Å; Y1072-D1074 HydrophobicContact CE1-CB 4.33Å; D1074-P1076 VanDerWaalsContact O-CD 3.23Å; D1074-P1076 WeakPolarHBondContact O-CD 3.14Å
1075	W	91.6	Very high	91.8	Very high	12 Å²	12	51.7 Å²	51.7	5%	0.045	27%	0.271	C	S	.	.			trans	-80.4	116.2	176.2	-154.1	-53.8	0	0	0	111.4	V1006 Y1072 T1073 G1079 C1080 P1081 F1087 R1125 V1128 Q1167 F1170	V1006-W1075 HydrophobicContact CG1-CE3 3.78Å; V1006-W1075 HydrophobicContact CG1-CZ3 3.92Å; Y1072-W1075 HydrophobicContact CD1-CB 4.07Å; Y1072-W1075 HydrophobicContact CD1-CE3 4.18Å; Y1072-W1075 HydrophobicContact CE1-CB 3.97Å; Y1072-W1075 HydrophobicContact CE1-CE3 4.09Å; T1073-W1075 PolarHBondContact O-N 2.99Å; W1075-G1079 PolarHBondContact NE1-O 3.36Å; W1075-C1080 HydrophobicContact CZ2-CB 4.24Å; W1075-P1081 HydrophobicContact CD2-CG 4.11Å; W1075-P1081 HydrophobicContact CE3-CG 4.21Å; W1075-P1081 HydrophobicContact CG-CG 4.33Å; W1075-F1087 HydrophobicContact CE3-CE2 4.46Å; W1075-F1087 HydrophobicContact CZ3-CD2 4.49Å; W1075-F1087 AromaticContact CZ3-CE2 3.89Å; W1075-F1087 HydrophobicContact CZ3-CE2 3.89Å; W1075-F1087 HydrophobicContact CZ3-CZ 4.49Å; W1075-R1125 VanDerWaalsContact CD1-CZ 3.43Å; W1075-R1125 VanDerWaalsContact CD1-NH2 3.28Å; W1075-R1125 HydrophobicContact CD2-CG 3.79Å; W1075-R1125 HydrophobicContact CE3-CB 4.13Å; W1075-R1125 HydrophobicContact CE3-CG 3.88Å; W1075-R1125 VanDerWaalsContact CG-CZ 3.48Å; W1075-R1125 HydrophobicContact CH2-CB 4.02Å; W1075-R1125 HydrophobicContact CH2-CG 3.78Å; W1075-R1125 HydrophobicContact CZ2-CB 4.45Å; W1075-R1125 HydrophobicContact CZ2-CG 3.7Å; W1075-R1125 HydrophobicContact CZ3-CB 3.84Å; W1075-R1125 HydrophobicContact CZ3-CG 3.86Å; W1075-V1128 HydrophobicContact CH2-CB 4.02Å; W1075-V1128 HydrophobicContact CH2-CG1 3.96Å; W1075-V1128 HydrophobicContact CH2-CG2 4.01Å; W1075-V1128 HydrophobicContact CZ3-CG1 4.37Å; W1075-Q1167 HydrophobicContact CZ2-CG 4.15Å; W1075-F1170 HydrophobicContact CH2-CD1 4.46Å
1076	P	87.5	Confident	91.8	Very high	48 Å²	48	49.4 Å²	49.4	31%	0.312	26%	0.264	S	S	.	.			trans	-65.8	160.3	-177.9	26	-34.8	0	0	0	113.7	D1074 H1078 C1080 R1125	D1074-P1076 VanDerWaalsContact O-CD 3.23Å; D1074-P1076 WeakPolarHBondContact O-CD 3.14Å; P1076-H1078 WeakPolarHBondContact CG-O 3.37Å; P1076-H1078 PolarHBondContact O-N 3.23Å; P1076-C1080 VanDerWaalsContact CG-O 3.24Å; P1076-C1080 WeakPolarHBondContact CG-O 3.04Å; P1076-R1125 PolarHBondContact O-NH2 3Å
1077	H	76.2	Confident	91.9	Very high	110 Å²	110	45.9 Å²	45.9	51%	0.509	24%	0.242	S	C	.	.	S	Bend	trans	-64.7	-23.4	179.2	-63.4	-3.6	0	0	0	113.3	G1012	G1012-H1077 PolarHBondContact N-CD2 3.21Å; G1012-H1077 PolarHBondContact N-NE2 2.87Å
1078	H	75.3	Confident	91.8	Very high	169 Å²	169	45.9 Å²	45.9	78%	0.782	24%	0.242	S	C	*	.	S	Bend	trans	-132.1	143.1	175.9	-58.3	-71.6	0	0	0	109.5	P1076	P1076-H1078 WeakPolarHBondContact CG-O 3.37Å; P1076-H1078 PolarHBondContact O-N 3.23Å
1079	G	87.3	Confident	91.7	Very high	47 Å²	47	45.1 Å²	45.1	49%	0.485	24%	0.244	S	C	.	.	S	Bend	trans	72.5	-140	179.6	0	0	0	0	0	114.4	W1075	W1075-G1079 PolarHBondContact NE1-O 3.36Å
1080	C	91.6	Very high	91.6	Very high	20 Å²	20	45.1 Å²	45.1	14%	0.135	24%	0.244	C	C	.	.			trans	-132.6	163.7	-175.5	-64.7	0	0	0	0	109.3	W1075 P1076 A1166 Q1167 F1170	W1075-C1080 HydrophobicContact CZ2-CB 4.24Å; P1076-C1080 VanDerWaalsContact CG-O 3.24Å; P1076-C1080 WeakPolarHBondContact CG-O 3.04Å; C1080-A1166 PolarHBondContact SG-O 3.28Å; C1080-Q1167 VanDerWaalsContact SG-CA 3.58Å; C1080-F1170 HydrophobicContact CB-CB 3.77Å; C1080-F1170 HydrophobicContact CB-CD1 4.42Å; C1080-F1170 HydrophobicContact CB-CD2 3.71Å; C1080-F1170 HydrophobicContact CB-CE2 4.4Å; C1080-F1170 HydrophobicContact CB-CG 3.71Å
1081	P	91.3	Very high	91.6	Very high	7 Å²	7	45.3 Å²	45.3	5%	0.045	25%	0.245	C	C	.	.			trans	-54	143.6	177.1	-24.2	33.9	0	0	0	112.5	Y1072 W1075 F1170	Y1072-P1081 HydrophobicContact CE1-CG 3.73Å; Y1072-P1081 VanDerWaalsContact OH-CB 3.29Å; Y1072-P1081 WeakPolarHBondContact OH-CB 3.43Å; Y1072-P1081 WeakPolarHBondContact OH-CG 3.39Å; W1075-P1081 HydrophobicContact CD2-CG 4.11Å; W1075-P1081 HydrophobicContact CE3-CG 4.21Å; W1075-P1081 HydrophobicContact CG-CG 4.33Å; P1081-F1170 HydrophobicContact CB-CE2 4.01Å; P1081-F1170 HydrophobicContact CB-CZ 3.93Å; P1081-F1170 HydrophobicContact CG-CE1 4.36Å; P1081-F1170 HydrophobicContact CG-CE2 4.22Å; P1081-F1170 HydrophobicContact CG-CZ 3.8Å; P1081-F1170 VanDerWaalsContact O-CE2 3.25Å; P1081-F1170 WeakPolarHBondContact O-CE2 3.26Å
1082	E	87.9	Confident	91.5	Very high	194 Å²	194	49.1 Å²	49.1	91%	0.907	26%	0.263	S	S	*	.	S	Bend	trans	-80.7	-34.7	167.9	-64.9	-176.2	177.3	0	0	110.3	V1084	E1082-V1084 PolarHBondContact O-N 3.4Å; E1082-V1084 VanDerWaalsContact O-N 3.12Å
1083	D	90.5	Very high	91.5	Very high	66 Å²	66	51 Å²	51	35%	0.353	27%	0.272	S	S	.	.			trans	-79	90.6	171.8	-176.1	15.2	0	0	0	111.9	Q1085 G1086 F1087	D1083-Q1085 PolarHBondContact O-N 2.95Å; D1083-Q1085 WeakPolarHBondContact OD1-CA 3.47Å; D1083-Q1085 WeakPolarHBondContact OD1-CB 3.41Å; D1083-Q1085 PolarHBondContact OD1-N 3.19Å; D1083-G1086 PolarHBondContact OD1-N 3.06Å; D1083-G1086 WeakPolarHBondContact OD2-CA 3.42Å; D1083-G1086 PolarHBondContact OD2-N 3.01Å; D1083-F1087 PolarHBondContact O-N 2.96Å
1084	V	94.6	Very high	91.6	Very high	22 Å²	22	48.3 Å²	48.3	13%	0.133	26%	0.255	C	S	.	.	H	α-helix	trans	-65.1	-29.8	170.9	-173.9	0	0	0	0	111.4	E1082 F1087 L1088 F1170 Q1173 V1174 Q1177	E1082-V1084 PolarHBondContact O-N 3.4Å; E1082-V1084 VanDerWaalsContact O-N 3.12Å; V1084-F1087 PolarHBondContact O-N 3.31Å; V1084-L1088 PolarHBondContact O-N 3.14Å; V1084-F1170 HydrophobicContact CG2-CE2 4.01Å; V1084-Q1173 HydrophobicContact CG2-CB 4.38Å; V1084-V1174 HydrophobicContact CG1-CB 4.39Å; V1084-V1174 HydrophobicContact CG1-CG2 3.9Å; V1084-Q1177 HydrophobicContact CB-CB 4.5Å; V1084-Q1177 HydrophobicContact CB-CG 4.46Å; V1084-Q1177 HydrophobicContact CG1-CB 3.64Å; V1084-Q1177 HydrophobicContact CG1-CG 4.01Å
1085	Q	93.6	Very high	91.8	Very high	68 Å²	68	45.9 Å²	45.9	32%	0.318	24%	0.241	S	C	.	.	H	α-helix	trans	-74.2	-44.3	-177	-175.1	56.7	42.7	0	0	111.5	D1083 F1087 L1088 S1089 N1181	D1083-Q1085 PolarHBondContact O-N 2.95Å; D1083-Q1085 WeakPolarHBondContact OD1-CA 3.47Å; D1083-Q1085 WeakPolarHBondContact OD1-CB 3.41Å; D1083-Q1085 PolarHBondContact OD1-N 3.19Å; Q1085-F1087 PolarHBondContact O-N 2.93Å; Q1085-L1088 WeakPolarHBondContact O-CB 3.36Å; Q1085-L1088 PolarHBondContact O-N 2.92Å; Q1085-S1089 PolarHBondContact O-N 3.36Å; Q1085-N1181 PolarHBondContact OE1-ND2 3.32Å
1086	G	93.7	Very high	91.9	Very high	5 Å²	5	48.2 Å²	48.2	5%	0.052	26%	0.259	C	S	.	.	H	α-helix	trans	-61.4	-27.8	172.8	0	0	0	0	0	113.4	C1048 D1083 Y1090	C1048-G1086 VanDerWaalsContact SG-CA 3.57Å; D1083-G1086 PolarHBondContact OD1-N 3.06Å; D1083-G1086 WeakPolarHBondContact OD2-CA 3.42Å; D1083-G1086 PolarHBondContact OD2-N 3.01Å; G1086-Y1090 PolarHBondContact O-N 3.1Å
1087	F	96.4	Very high	92.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-74.4	-38.5	170	-171.2	-98	0	0	0	112.7	Y1072 W1075 D1083 V1084 Q1085 Y1090 L1091 V1128 V1129 F1170 V1174	Y1072-F1087 HydrophobicContact CD1-CD2 4.47Å; Y1072-F1087 HydrophobicContact CD2-CD2 4.35Å; Y1072-F1087 HydrophobicContact CE1-CD2 4.1Å; Y1072-F1087 HydrophobicContact CE2-CB 4.23Å; Y1072-F1087 AromaticContact CE2-CD2 3.99Å; Y1072-F1087 HydrophobicContact CE2-CD2 3.99Å; Y1072-F1087 AromaticContact CZ-CD2 3.85Å; W1075-F1087 HydrophobicContact CE3-CE2 4.46Å; W1075-F1087 HydrophobicContact CZ3-CD2 4.49Å; W1075-F1087 AromaticContact CZ3-CE2 3.89Å; W1075-F1087 HydrophobicContact CZ3-CE2 3.89Å; W1075-F1087 HydrophobicContact CZ3-CZ 4.49Å; D1083-F1087 PolarHBondContact O-N 2.96Å; V1084-F1087 PolarHBondContact O-N 3.31Å; Q1085-F1087 PolarHBondContact O-N 2.93Å; F1087-Y1090 HydrophobicContact CE2-CD1 4.42Å; F1087-Y1090 WeakPolarHBondContact O-CB 3.44Å; F1087-Y1090 PolarHBondContact O-N 2.89Å; F1087-L1091 HydrophobicContact CD1-CD1 4.24Å; F1087-L1091 HydrophobicContact CD1-CG 4.47Å; F1087-L1091 HydrophobicContact CE1-CD1 3.89Å; F1087-L1091 HydrophobicContact CE1-CD2 4.36Å; F1087-L1091 HydrophobicContact CE1-CG 4.18Å; F1087-L1091 HydrophobicContact CZ-CD2 4.41Å; F1087-L1091 PolarHBondContact O-N 3.25Å; F1087-V1128 HydrophobicContact CE1-CG1 4.1Å; F1087-V1128 HydrophobicContact CZ-CG1 3.78Å; F1087-V1129 HydrophobicContact CE2-CG2 3.87Å; F1087-V1129 HydrophobicContact CZ-CG2 3.62Å; F1087-F1170 HydrophobicContact CB-CE1 4.23Å; F1087-F1170 HydrophobicContact CB-CZ 3.85Å; F1087-F1170 AromaticContact CD1-CE1 3.66Å; F1087-F1170 HydrophobicContact CD1-CE1 3.66Å; F1087-F1170 HydrophobicContact CD1-CZ 4.1Å; F1087-F1170 HydrophobicContact CD2-CE1 4.11Å; F1087-F1170 HydrophobicContact CD2-CZ 4.43Å; F1087-F1170 AromaticContact CE1-CE1 3.96Å; F1087-F1170 HydrophobicContact CE1-CE1 3.96Å; F1087-F1170 HydrophobicContact CE2-CE1 4.4Å; F1087-F1170 AromaticContact CG-CE1 3.72Å; F1087-F1170 HydrophobicContact CG-CE1 3.72Å; F1087-F1170 AromaticContact CG-CZ 3.87Å; F1087-F1170 HydrophobicContact CG-CZ 3.87Å; F1087-F1170 HydrophobicContact CZ-CE1 4.33Å; F1087-V1174 HydrophobicContact CD1-CG1 4.23Å; F1087-V1174 HydrophobicContact CD1-CG2 3.6Å; F1087-V1174 HydrophobicContact CE1-CG1 4.44Å; F1087-V1174 HydrophobicContact CE1-CG2 4.05Å
1088	L	96.4	Very high	93	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-60.3	-47.4	171.7	-77.6	168.9	0	0	0	111.3	V1084 Q1085 Y1090 L1091 E1092 I1136 V1174 Q1177 F1178	V1084-L1088 PolarHBondContact O-N 3.14Å; Q1085-L1088 WeakPolarHBondContact O-CB 3.36Å; Q1085-L1088 PolarHBondContact O-N 2.92Å; L1088-Y1090 PolarHBondContact O-N 2.84Å; L1088-L1091 CarbonylContact O-C 3.53Å; L1088-L1091 WeakPolarHBondContact O-CA 3.47Å; L1088-L1091 WeakPolarHBondContact O-CB 3.45Å; L1088-L1091 PolarHBondContact O-N 3.43Å; L1088-E1092 WeakPolarHBondContact O-CG 3.37Å; L1088-E1092 PolarHBondContact O-N 3.13Å; L1088-I1136 HydrophobicContact CD2-CD1 3.8Å; L1088-V1174 HydrophobicContact CD2-CG1 3.65Å; L1088-V1174 HydrophobicContact CG-CG1 4.24Å; L1088-Q1177 HydrophobicContact CD1-CB 4Å; L1088-Q1177 HydrophobicContact CD1-CG 3.73Å; L1088-F1178 HydrophobicContact CD2-CB 4.02Å; L1088-F1178 HydrophobicContact CD2-CD2 4.22Å
1089	S	95.8	Very high	93.7	Very high	31 Å²	31	42.1 Å²	42.1	22%	0.217	22%	0.219	C	C	.	.	H	α-helix	trans	-69.9	-14.6	178.6	-61.3	0	0	0	0	114.9	Y1049 Q1085 E1092 E1093	Y1049-S1089 VanDerWaalsContact CE1-O 3.29Å; Y1049-S1089 WeakPolarHBondContact CE1-O 3.33Å; Y1049-S1089 PolarHBondContact OH-O 2.78Å; Q1085-S1089 PolarHBondContact O-N 3.36Å; S1089-E1092 WeakPolarHBondContact CA-OE2 3.44Å; S1089-E1092 WeakPolarHBondContact CB-OE2 3.44Å; S1089-E1092 PolarHBondContact OG-OE2 2.95Å; S1089-E1093 PolarHBondContact O-N 2.93Å
1090	Y	97.5	Very high	93.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-76.1	-35.8	164.9	176	-113.7	0	0	0	112.7	A1004 M1005 V1006 Y1049 L1070 Y1072 G1086 F1087 L1088 I1094 V1129	A1004-Y1090 WeakPolarHBondContact CA-OH 3.33Å; M1005-Y1090 PolarHBondContact N-OH 3.16Å; V1006-Y1090 HydrophobicContact CG2-CE1 4.48Å; Y1049-Y1090 VanDerWaalsContact CB-CD2 3.49Å; Y1049-Y1090 HydrophobicContact CD1-CD2 4.15Å; Y1049-Y1090 HydrophobicContact CD1-CG 4.45Å; Y1049-Y1090 HydrophobicContact CD2-CD2 4.27Å; Y1049-Y1090 AromaticContact CG-CD2 3.73Å; Y1049-Y1090 HydrophobicContact CG-CD2 3.73Å; Y1049-Y1090 HydrophobicContact CG-CG 4.45Å; L1070-Y1090 HydrophobicContact CB-CE2 3.95Å; L1070-Y1090 PolarHBondContact O-OH 3.27Å; Y1072-Y1090 AromaticContact CD2-CD1 3.9Å; Y1072-Y1090 HydrophobicContact CD2-CD1 3.9Å; Y1072-Y1090 HydrophobicContact CD2-CD2 4.18Å; Y1072-Y1090 AromaticContact CD2-CG 3.68Å; Y1072-Y1090 HydrophobicContact CD2-CG 3.68Å; Y1072-Y1090 HydrophobicContact CG-CD1 4.13Å; Y1072-Y1090 HydrophobicContact CG-CE1 4.37Å; Y1072-Y1090 HydrophobicContact CG-CG 4.25Å; G1086-Y1090 PolarHBondContact O-N 3.1Å; F1087-Y1090 HydrophobicContact CE2-CD1 4.42Å; F1087-Y1090 WeakPolarHBondContact O-CB 3.44Å; F1087-Y1090 PolarHBondContact O-N 2.89Å; L1088-Y1090 PolarHBondContact O-N 2.84Å; Y1090-I1094 HydrophobicContact CD1-CD1 3.93Å; Y1090-I1094 HydrophobicContact CE1-CD1 3.5Å; Y1090-I1094 VanDerWaalsContact CE1-CD1 3.5Å; Y1090-I1094 HydrophobicContact CE2-CD1 4.25Å; Y1090-I1094 HydrophobicContact CG-CD1 4.46Å; Y1090-I1094 WeakPolarHBondContact O-CG1 3.41Å; Y1090-I1094 PolarHBondContact O-N 3.28Å; Y1090-V1129 HydrophobicContact CE1-CG2 4.15Å
1091	L	97.4	Very high	93.6	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-69.5	-39.1	172.1	-60.8	177.9	0	0	0	111.3	F1087 L1088 I1094 Q1095 V1129 I1136 V1174	F1087-L1091 HydrophobicContact CD1-CD1 4.24Å; F1087-L1091 HydrophobicContact CD1-CG 4.47Å; F1087-L1091 HydrophobicContact CE1-CD1 3.89Å; F1087-L1091 HydrophobicContact CE1-CD2 4.36Å; F1087-L1091 HydrophobicContact CE1-CG 4.18Å; F1087-L1091 HydrophobicContact CZ-CD2 4.41Å; F1087-L1091 PolarHBondContact O-N 3.25Å; L1088-L1091 CarbonylContact O-C 3.53Å; L1088-L1091 WeakPolarHBondContact O-CA 3.47Å; L1088-L1091 WeakPolarHBondContact O-CB 3.45Å; L1088-L1091 PolarHBondContact O-N 3.43Å; L1091-I1094 HydrophobicContact CD2-CD1 4.39Å; L1091-I1094 WeakPolarHBondContact O-CB 3.47Å; L1091-I1094 PolarHBondContact O-N 2.9Å; L1091-Q1095 WeakPolarHBondContact O-CG 3.24Å; L1091-Q1095 PolarHBondContact O-N 3.49Å; L1091-V1129 HydrophobicContact CD2-CB 4.43Å; L1091-V1129 HydrophobicContact CD2-CG1 3.92Å; L1091-V1129 HydrophobicContact CD2-CG2 4.38Å; L1091-I1136 HydrophobicContact CD1-CD1 3.75Å; L1091-V1174 HydrophobicContact CD1-CG1 4.33Å
1092	E	95.5	Very high	93.2	Very high	92 Å²	92	45.1 Å²	45.1	43%	0.43	22%	0.22	S	C	.	.	H	α-helix	trans	-58.7	-45.8	173.7	-67.6	156.1	-166.8	0	0	111.2	L1088 S1089 Q1095 S1096	L1088-E1092 WeakPolarHBondContact O-CG 3.37Å; L1088-E1092 PolarHBondContact O-N 3.13Å; S1089-E1092 WeakPolarHBondContact CA-OE2 3.44Å; S1089-E1092 WeakPolarHBondContact CB-OE2 3.44Å; S1089-E1092 PolarHBondContact OG-OE2 2.95Å; E1092-Q1095 PolarHBondContact O-N 2.93Å; E1092-S1096 WeakPolarHBondContact O-CB 3.39Å; E1092-S1096 PolarHBondContact O-N 3.4Å
1093	E	96.9	Very high	92.8	Very high	41 Å²	41	38.7 Å²	38.7	19%	0.192	20%	0.196	C	C	.	.	H	α-helix	trans	-63.3	-42.2	173.9	177.3	75.1	155.7	0	0	112.2	Y1049 T1051 L1070 S1089 Q1095 S1096 V1097	Y1049-E1093 HydrophobicContact CD2-CG 4.31Å; Y1049-E1093 HydrophobicContact CE2-CB 3.84Å; Y1049-E1093 HydrophobicContact CE2-CG 3.67Å; T1051-E1093 VanDerWaalsContact CB-OE1 3.24Å; T1051-E1093 WeakPolarHBondContact CB-OE1 3.48Å; T1051-E1093 WeakPolarHBondContact CG2-OE1 3.41Å; T1051-E1093 PolarHBondContact OG1-OE1 3.36Å; L1070-E1093 HydrophobicContact CD2-CB 4.5Å; L1070-E1093 HydrophobicContact CD2-CG 3.74Å; L1070-E1093 HydrophobicContact CG-CG 4.24Å; S1089-E1093 PolarHBondContact O-N 2.93Å; E1093-Q1095 VanDerWaalsContact C-N 3.31Å; E1093-Q1095 PolarHBondContact O-N 3.44Å; E1093-S1096 PolarHBondContact O-N 2.71Å; E1093-V1097 HydrophobicContact CG-CG2 4.45Å; E1093-V1097 WeakPolarHBondContact O-CB 3.33Å; E1093-V1097 WeakPolarHBondContact O-CG2 3.35Å; E1093-V1097 PolarHBondContact O-N 2.88Å
1094	I	96.6	Very high	91.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.8	-44.5	173.7	-76.4	166.7	0	0	0	111.1	A1004 L1070 Y1090 L1091 R1098 I1115 V1129	A1004-I1094 HydrophobicContact CB-CD1 3.78Å; A1004-I1094 HydrophobicContact CB-CG1 4.27Å; L1070-I1094 HydrophobicContact CD2-CB 4.25Å; L1070-I1094 HydrophobicContact CD2-CG1 3.62Å; Y1090-I1094 HydrophobicContact CD1-CD1 3.93Å; Y1090-I1094 HydrophobicContact CE1-CD1 3.5Å; Y1090-I1094 VanDerWaalsContact CE1-CD1 3.5Å; Y1090-I1094 HydrophobicContact CE2-CD1 4.25Å; Y1090-I1094 HydrophobicContact CG-CD1 4.46Å; Y1090-I1094 WeakPolarHBondContact O-CG1 3.41Å; Y1090-I1094 PolarHBondContact O-N 3.28Å; L1091-I1094 HydrophobicContact CD2-CD1 4.39Å; L1091-I1094 WeakPolarHBondContact O-CB 3.47Å; L1091-I1094 PolarHBondContact O-N 2.9Å; I1094-R1098 VanDerWaalsContact O-CB 3.25Å; I1094-R1098 WeakPolarHBondContact O-CB 3.39Å; I1094-R1098 PolarHBondContact O-N 3.4Å; I1094-R1098 VanDerWaalsContact O-N 3.09Å; I1094-I1115 HydrophobicContact CG2-CD1 4.01Å; I1094-V1129 HydrophobicContact CD1-CG1 4.09Å
1095	Q	94.2	Very high	90.4	Very high	26 Å²	26	42.7 Å²	42.7	12%	0.121	22%	0.22	C	C	.	.	H	α-helix	trans	-67.5	-46.4	177.2	-71.8	-167.3	18.9	0	0	111.7	L1091 E1092 E1093 V1097 R1098 R1099 E1133	L1091-Q1095 WeakPolarHBondContact O-CG 3.24Å; L1091-Q1095 PolarHBondContact O-N 3.49Å; E1092-Q1095 PolarHBondContact O-N 2.93Å; E1093-Q1095 VanDerWaalsContact C-N 3.31Å; E1093-Q1095 PolarHBondContact O-N 3.44Å; Q1095-V1097 PolarHBondContact O-N 3.28Å; Q1095-R1098 WeakPolarHBondContact O-CB 3.39Å; Q1095-R1098 PolarHBondContact O-N 2.75Å; Q1095-R1098 VanDerWaalsContact O-N 3.16Å; Q1095-R1099 VanDerWaalsContact O-CG 3.31Å; Q1095-R1099 WeakPolarHBondContact O-CG 3.28Å; Q1095-R1099 PolarHBondContact O-N 3.15Å; Q1095-E1133 WeakPolarHBondContact CG-OE1 3.38Å
1096	S	93.9	Very high	88.5	Confident	60 Å²	60	46.7 Å²	46.7	42%	0.42	24%	0.239	S	C	.	.	H	α-helix	trans	-54.5	-53.9	179.1	179.6	0	0	0	0	111.4	E1092 E1093 R1098 R1099 H1100	E1092-S1096 WeakPolarHBondContact O-CB 3.39Å; E1092-S1096 PolarHBondContact O-N 3.4Å; E1093-S1096 PolarHBondContact O-N 2.71Å; S1096-R1098 VanDerWaalsContact C-N 3.3Å; S1096-R1098 PolarHBondContact O-N 2.7Å; S1096-R1099 PolarHBondContact O-N 2.84Å; S1096-H1100 WeakPolarHBondContact O-CB 3.37Å; S1096-H1100 PolarHBondContact O-N 2.84Å
1097	V	94.3	Very high	86.4	Confident	7 Å²	7	50.1 Å²	50.1	4%	0.042	28%	0.275	C	S	.	.	H	α-helix	trans	-65	-33.5	178.7	178.2	0	0	0	0	111.8	V1002 W1068 L1070 E1093 Q1095 T1101	V1002-V1097 HydrophobicContact CG1-CG1 4.26Å; V1002-V1097 HydrophobicContact CG2-CG1 3.91Å; W1068-V1097 HydrophobicContact CB-CG1 3.51Å; W1068-V1097 HydrophobicContact CD2-CG1 3.78Å; W1068-V1097 HydrophobicContact CE3-CG1 4.24Å; W1068-V1097 HydrophobicContact CE3-CG2 4.35Å; W1068-V1097 HydrophobicContact CG-CG1 3.45Å; W1068-V1097 VanDerWaalsContact CG-CG1 3.45Å; L1070-V1097 HydrophobicContact CD1-CG1 4.31Å; L1070-V1097 HydrophobicContact CD1-CG2 4.48Å; L1070-V1097 HydrophobicContact CD2-CB 4.43Å; L1070-V1097 HydrophobicContact CD2-CG2 4.29Å; E1093-V1097 HydrophobicContact CG-CG2 4.45Å; E1093-V1097 WeakPolarHBondContact O-CB 3.33Å; E1093-V1097 WeakPolarHBondContact O-CG2 3.35Å; E1093-V1097 PolarHBondContact O-N 2.88Å; Q1095-V1097 PolarHBondContact O-N 3.28Å; V1097-T1101 HydrophobicContact CG1-CG2 4.3Å; V1097-T1101 WeakPolarHBondContact O-CB 3.28Å; V1097-T1101 WeakPolarHBondContact O-CG2 3.47Å; V1097-T1101 PolarHBondContact O-N 2.94Å; V1097-T1101 PolarHBondContact O-OG1 2.97Å
1098	R	92	Very high	84.3	Confident	30 Å²	30	55.8 Å²	55.8	11%	0.113	30%	0.304	C	S	.	.	H	α-helix	trans	-66.7	-44.7	173.9	-169.3	-174.1	-47.7	-169.8	6	112.2	W975 I1094 Q1095 S1096 T1101 N1102 I1115 E1133	W975-R1098 VanDerWaalsContact CE3-NH1 3.25Å; I1094-R1098 VanDerWaalsContact O-CB 3.25Å; I1094-R1098 WeakPolarHBondContact O-CB 3.39Å; I1094-R1098 PolarHBondContact O-N 3.4Å; I1094-R1098 VanDerWaalsContact O-N 3.09Å; Q1095-R1098 WeakPolarHBondContact O-CB 3.39Å; Q1095-R1098 PolarHBondContact O-N 2.75Å; Q1095-R1098 VanDerWaalsContact O-N 3.16Å; S1096-R1098 VanDerWaalsContact C-N 3.3Å; S1096-R1098 PolarHBondContact O-N 2.7Å; R1098-T1101 PolarHBondContact O-N 3.32Å; R1098-T1101 PolarHBondContact O-OG1 3.4Å; R1098-N1102 VanDerWaalsContact O-CB 3.26Å; R1098-N1102 WeakPolarHBondContact O-CB 3.36Å; R1098-N1102 VanDerWaalsContact O-CG 3.32Å; R1098-N1102 PolarHBondContact O-N 3.08Å; R1098-I1115 HydrophobicContact CG-CG2 4.18Å; R1098-E1133 IonicContact CZ-OE1 3.98Å; R1098-E1133 VanDerWaalsContact CZ-OE1 3.31Å; R1098-E1133 IonicContact CZ-OE2 2.78Å; R1098-E1133 IonicContact NH1-OE1 3.2Å; R1098-E1133 IonicContact NH1-OE2 3.6Å; R1098-E1133 PolarHBondContact NH1-OE2 3.27Å; R1098-E1133 IonicContact NH2-OE1 3.65Å; R1098-E1133 PolarHBondContact NH2-OE1 3Å; R1098-E1133 IonicContact NH2-OE2 2.64Å; R1098-E1133 PolarHBondContact NH2-OE2 3.4Å
1099	R	89.8	Confident	82	Confident	162 Å²	162	66.4 Å²	66.4	61%	0.611	35%	0.35	S	S	*	.	H	α-helix	trans	-60	-49.8	175	-65.8	172.9	-151.1	167.4	4.3	110.3	Q1095 S1096 T1101 N1102 S1103	Q1095-R1099 VanDerWaalsContact O-CG 3.31Å; Q1095-R1099 WeakPolarHBondContact O-CG 3.28Å; Q1095-R1099 PolarHBondContact O-N 3.15Å; S1096-R1099 PolarHBondContact O-N 2.84Å; R1099-T1101 PolarHBondContact O-N 3.31Å; R1099-N1102 PolarHBondContact O-N 3.08Å; R1099-S1103 PolarHBondContact O-N 2.94Å; R1099-S1103 PolarHBondContact O-OG 2.68Å
1100	H	88.5	Confident	80.1	Confident	101 Å²	101	69 Å²	69	47%	0.468	37%	0.365	S	S	.	.	H	α-helix	trans	-60.2	-41.9	178.3	175.8	71.2	0	0	0	113.4	S1096 S1103	S1096-H1100 WeakPolarHBondContact O-CB 3.37Å; S1096-H1100 PolarHBondContact O-N 2.84Å; H1100-S1103 PolarHBondContact O-OG 3.24Å
1101	T	88.4	Confident	78.8	Confident	13 Å²	13	77.7 Å²	77.7	8%	0.08	40%	0.397	C	S	.	.	H	α-helix	trans	-78.1	-20.3	179.2	52.2	0	0	0	0	113.8	N1001 V1002 V1097 R1098 R1099	N1001-T1101 HydrophobicContact CB-CG2 4.03Å; V1002-T1101 HydrophobicContact CG2-CG2 4.35Å; V1002-T1101 WeakPolarHBondContact CG2-OG1 3.28Å; V1097-T1101 HydrophobicContact CG1-CG2 4.3Å; V1097-T1101 WeakPolarHBondContact O-CB 3.28Å; V1097-T1101 WeakPolarHBondContact O-CG2 3.47Å; V1097-T1101 PolarHBondContact O-N 2.94Å; V1097-T1101 PolarHBondContact O-OG1 2.97Å; R1098-T1101 PolarHBondContact O-N 3.32Å; R1098-T1101 PolarHBondContact O-OG1 3.4Å; R1099-T1101 PolarHBondContact O-N 3.31Å
1102	N	83.8	Confident	78.1	Confident	23 Å²	23	82.5 Å²	82.5	12%	0.123	42%	0.419	C	S	.	.	H	α-helix	trans	-85.5	-35.2	174.8	-79.3	-16.4	0	0	0	113.3	R1098 R1099 V1104 L1105 E1106 H1112	R1098-N1102 VanDerWaalsContact O-CB 3.26Å; R1098-N1102 WeakPolarHBondContact O-CB 3.36Å; R1098-N1102 VanDerWaalsContact O-CG 3.32Å; R1098-N1102 PolarHBondContact O-N 3.08Å; R1099-N1102 PolarHBondContact O-N 3.08Å; N1102-V1104 PolarHBondContact O-N 3.32Å; N1102-L1105 WeakPolarHBondContact O-CA 3.28Å; N1102-L1105 WeakPolarHBondContact O-CB 3.38Å; N1102-L1105 PolarHBondContact O-N 2.95Å; N1102-E1106 PolarHBondContact O-N 3.43Å; N1102-H1112 PolarHBondContact ND2-ND1 3.1Å
1103	S	79.4	Confident	77.9	Confident	60 Å²	60	79.3 Å²	79.3	42%	0.42	41%	0.407	S	S	.	.	H	α-helix	trans	-64.9	-28.9	178.6	61.7	0	0	0	0	112.8	R1099 H1100 L1105 E1106	R1099-S1103 PolarHBondContact O-N 2.94Å; R1099-S1103 PolarHBondContact O-OG 2.68Å; H1100-S1103 PolarHBondContact O-OG 3.24Å; S1103-L1105 PolarHBondContact O-N 3.01Å; S1103-E1106 WeakPolarHBondContact O-CB 3.37Å; S1103-E1106 PolarHBondContact O-N 2.93Å; S1103-E1106 VanDerWaalsContact O-N 3.17Å
1104	V	68.9	Low	77.8	Confident	114 Å²	114	77.7 Å²	77.7	69%	0.691	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-14.3	170	178.9	0	0	0	0	112.8	N1102	N1102-V1104 PolarHBondContact O-N 3.32Å
1105	L	65.1	Low	77.9	Confident	57 Å²	57	78 Å²	78	30%	0.298	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-1.6	176.9	-57.5	173.2	0	0	0	113.4	N1102 S1103 G1107 I1108 P1113	N1102-L1105 WeakPolarHBondContact O-CA 3.28Å; N1102-L1105 WeakPolarHBondContact O-CB 3.38Å; N1102-L1105 PolarHBondContact O-N 2.95Å; S1103-L1105 PolarHBondContact O-N 3.01Å; L1105-G1107 PolarHBondContact O-N 3.09Å; L1105-I1108 PolarHBondContact O-N 2.97Å; L1105-P1113 HydrophobicContact CD1-CG 3.98Å
1106	E	53.1	Low	78.1	Confident	152 Å²	152	76.7 Å²	76.7	71%	0.71	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	71.1	-179.1	-72.8	179.1	-173.6	0	0	112.4	N1102 S1103	N1102-E1106 PolarHBondContact O-N 3.43Å; S1103-E1106 WeakPolarHBondContact O-CB 3.37Å; S1103-E1106 PolarHBondContact O-N 2.93Å; S1103-E1106 VanDerWaalsContact O-N 3.17Å
1107	G	49.7	Very low	78.3	Confident	78 Å²	78	73.9 Å²	73.9	80%	0.804	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-168.4	-9.6	175.1	0	0	0	0	0	113.7	L1105	L1105-G1107 PolarHBondContact O-N 3.09Å
1108	I	53.2	Low	78.6	Confident	118 Å²	118	73.5 Å²	73.5	61%	0.605	37%	0.373	S	S	*	.	S	Bend	trans	-117.9	140.2	178.7	-49.5	177.6	0	0	0	108.4	L1105 T1110	L1105-I1108 PolarHBondContact O-N 2.97Å; I1108-T1110 HydrophobicContact CG2-CG2 3.76Å; I1108-T1110 PolarHBondContact O-N 3.17Å
1109	K	49	Very low	78.7	Confident	226 Å²	226	72.4 Å²	72.4	98%	0.983	37%	0.37	S	S	*	.	S	Bend	trans	-73.7	34.4	175	-64.6	-172.1	176.9	-175.3	0	113.6
1110	T	55.5	Low	79	Confident	86 Å²	86	65.9 Å²	65.9	53%	0.528	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-86.4	141.7	174.2	36.6	0	0	0	0	110.3	I1108	I1108-T1110 HydrophobicContact CG2-CG2 3.76Å; I1108-T1110 PolarHBondContact O-N 3.17Å
1111	R	68.9	Low	79.4	Confident	181 Å²	181	61.4 Å²	61.4	68%	0.683	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-60.7	149.4	167.1	-59	-171.1	-170.9	-145.6	4.1	109.6	E974	E974-R1111 IonicContact OE1-NH1 3.59Å; E974-R1111 PolarHBondContact OE1-NH1 2.93Å; E974-R1111 IonicContact OE2-CZ 3.23Å; E974-R1111 IonicContact OE2-NE 3.36Å; E974-R1111 IonicContact OE2-NH1 2.67Å; E974-R1111 PolarHBondContact OE2-NH1 3Å
1112	H	82.8	Confident	79.8	Confident	105 Å²	105	60.8 Å²	60.8	49%	0.486	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-57.6	137.7	172.9	-58.9	-65.1	0	0	0	110.4	N1102	N1102-H1112 PolarHBondContact ND2-ND1 3.1Å
1113	P	91.6	Very high	80.4	Confident	26 Å²	26	59.7 Å²	59.7	17%	0.169	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-67.9	149.5	178.6	28.7	-34.6	0	0	0	111	G999 L1105	G999-P1113 VanDerWaalsContact O-CB 3.24Å; G999-P1113 WeakPolarHBondContact O-CB 3.38Å; L1105-P1113 HydrophobicContact CD1-CG 3.98Å
1114	P	96.3	Very high	81.2	Confident	7 Å²	7	57 Å²	57	5%	0.045	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-62.6	147.1	174	24.7	-32.9	0	0	0	111.8	H976 I978 Q998 V1000	H976-P1114 HydrophobicContact CB-CB 4.42Å; H976-P1114 WeakPolarHBondContact O-CA 3.42Å; I978-P1114 HydrophobicContact CD1-CB 4.05Å; I978-P1114 HydrophobicContact CD1-CG 3.64Å; I978-P1114 HydrophobicContact CG1-CB 3.94Å; I978-P1114 HydrophobicContact CG1-CG 4.06Å; Q998-P1114 HydrophobicContact CB-CG 4.31Å; Q998-P1114 WeakPolarHBondContact O-CD 3.34Å; V1000-P1114 HydrophobicContact CG2-CG 4.32Å
1115	I	97.6	Very high	82.6	Confident	5 Å²	5	52.8 Å²	52.8	3%	0.026	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	145.3	160.4	75.3	145.8	0	0	0	110	H976 Y977 I978 V1002 I1094 R1098 V1117	H976-I1115 PolarHBondContact O-N 3.39Å; Y977-I1115 CarbonylContact C-O 3.59Å; Y977-I1115 WeakPolarHBondContact CA-O 3.44Å; Y977-I1115 HydrophobicContact CD1-CD1 4.07Å; Y977-I1115 HydrophobicContact CD1-CG1 3.63Å; Y977-I1115 HydrophobicContact CE1-CD1 4.28Å; Y977-I1115 HydrophobicContact CE1-CG1 4.18Å; I978-I1115 PolarHBondContact N-O 3.42Å; V1002-I1115 HydrophobicContact CB-CB 4.2Å; V1002-I1115 HydrophobicContact CB-CG2 3.85Å; V1002-I1115 HydrophobicContact CG1-CG2 4.46Å; V1002-I1115 HydrophobicContact CG2-CG2 4.32Å; I1094-I1115 HydrophobicContact CG2-CD1 4.01Å; R1098-I1115 HydrophobicContact CG-CG2 4.18Å; I1115-V1117 HydrophobicContact CD1-CG2 3.6Å; I1115-V1117 HydrophobicContact CG1-CG2 4.01Å
1116	V	98.8	Very high	84.2	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	128.5	173	170.8	0	0	0	0	108.9	I978 T980 F991 M994 V995 V1000 V1002 I1003 A1004	I978-V1116 HydrophobicContact CB-CG2 3.99Å; I978-V1116 HydrophobicContact CD1-CG2 4.37Å; I978-V1116 HydrophobicContact CG2-CG2 4.18Å; I978-V1116 WeakPolarHBondContact O-CA 3.36Å; T980-V1116 HydrophobicContact CG2-CG1 3.57Å; F991-V1116 HydrophobicContact CE2-CG1 3.97Å; F991-V1116 HydrophobicContact CZ-CG1 4.13Å; M994-V1116 HydrophobicContact CE-CG1 4.07Å; M994-V1116 HydrophobicContact CE-CG2 3.66Å; V995-V1116 HydrophobicContact CG2-CG2 4.33Å; V1000-V1116 HydrophobicContact CB-CG2 4.33Å; V1000-V1116 HydrophobicContact CG1-CB 4.31Å; V1000-V1116 HydrophobicContact CG1-CG2 3.73Å; V1000-V1116 HydrophobicContact CG2-CG2 3.74Å; V1002-V1116 PolarHBondContact O-N 3.27Å; I1003-V1116 CarbonylContact C-O 3.6Å; I1003-V1116 WeakPolarHBondContact CA-O 3.24Å; I1003-V1116 HydrophobicContact CG1-CB 4.27Å; I1003-V1116 HydrophobicContact CG2-CB 4.35Å; I1003-V1116 HydrophobicContact CG2-CG1 4.16Å; A1004-V1116 PolarHBondContact N-O 2.86Å
1117	V	98.8	Very high	86.3	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	120.9	175.2	-169.7	0	0	0	0	109.1	Y977 I978 T980 A1004 V1006 I1115 T1126 V1129 I1130	Y977-V1117 HydrophobicContact CD1-CG2 3.92Å; I978-V1117 PolarHBondContact O-N 3.02Å; T980-V1117 PolarHBondContact N-O 2.83Å; T980-V1117 VanDerWaalsContact N-O 3.16Å; A1004-V1117 HydrophobicContact CB-CG1 4.25Å; A1004-V1117 HydrophobicContact CB-CG2 4.3Å; A1004-V1117 WeakPolarHBondContact O-CA 3.29Å; V1006-V1117 HydrophobicContact CG2-CG1 4.18Å; I1115-V1117 HydrophobicContact CD1-CG2 3.6Å; I1115-V1117 HydrophobicContact CG1-CG2 4.01Å; V1117-T1126 HydrophobicContact CB-CG2 4.05Å; V1117-T1126 HydrophobicContact CG1-CG2 3.87Å; V1117-T1126 WeakPolarHBondContact O-CG2 3.48Å; V1117-V1129 HydrophobicContact CG1-CB 4.18Å; V1117-V1129 HydrophobicContact CG1-CG1 4Å; V1117-I1130 HydrophobicContact CB-CD1 4.1Å; V1117-I1130 HydrophobicContact CB-CG1 4.32Å; V1117-I1130 HydrophobicContact CG1-CG1 4.37Å; V1117-I1130 HydrophobicContact CG2-CD1 4.12Å; V1117-I1130 HydrophobicContact CG2-CG1 4.06Å
1118	H	98.6	Very high	88.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	154.5	-178.3	89.7	87.8	0	0	0	112.9	T980 G982 A1004 M1005 V1006 Y1020	T980-H1118 HydrophobicContact CG2-CB 3.69Å; T980-H1118 VanDerWaalsContact O-CA 3.32Å; T980-H1118 WeakPolarHBondContact O-CA 3.42Å; T980-H1118 WeakPolarHBondContact O-CB 3.45Å; G982-H1118 WeakPolarHBondContact CA-ND1 3.4Å; A1004-H1118 PolarHBondContact O-N 3.26Å; M1005-H1118 WeakPolarHBondContact CB-NE2 3.35Å; M1005-H1118 VanDerWaalsContact CG-CE1 3.43Å; M1005-H1118 WeakPolarHBondContact CG-CE1 3.3Å; M1005-H1118 WeakPolarHBondContact CG-NE2 3.42Å; V1006-H1118 PolarHBondContact N-O 3.26Å; Y1020-H1118 AromaticContact CE1-CE1 3.83Å; Y1020-H1118 AromaticContact CE1-NE2 3.42Å; Y1020-H1118 WeakPolarHBondContact CE1-NE2 3.21Å; Y1020-H1118 AromaticContact CZ-NE2 3.52Å; Y1020-H1118 PolarHBondContact OH-CD2 3.43Å; Y1020-H1118 PolarHBondContact OH-NE2 2.91Å
1119	C	96.1	Very high	90.8	Very high	6 Å²	6	33.5 Å²	33.5	4%	0.041	16%	0.158	C	C	.	.	S	Bend	trans	-132.6	-122.4	166.7	58	0	0	0	0	107.7	G982 V1006 G1122 R1125 T1126	G982-C1119 WeakPolarHBondContact CA-O 3.27Å; G982-C1119 PolarHBondContact N-O 3.11Å; V1006-C1119 HydrophobicContact CB-CB 4.34Å; C1119-G1122 PolarHBondContact SG-N 2.65Å; C1119-R1125 HydrophobicContact CB-CB 3.87Å; C1119-T1126 PolarHBondContact N-OG1 3.22Å; C1119-T1126 PolarHBondContact SG-OG1 3.41Å
1120	S	96	Very high	93.2	Very high	26 Å²	26	22.7 Å²	22.7	18%	0.182	11%	0.111	C	C	.	.	S	Bend	trans	-86.2	-65.3	169.2	-165.4	0	0	0	0	112	R936 Q981 G982 K1016	R936-S1120 WeakPolarHBondContact CD-O 3.16Å; R936-S1120 WeakPolarHBondContact CD-OG 3.38Å; Q981-S1120 CarbonylContact C-O 3.52Å; Q981-S1120 WeakPolarHBondContact CA-O 3.48Å; Q981-S1120 WeakPolarHBondContact CB-O 3.5Å; G982-S1120 PolarHBondContact N-O 3.14Å; K1016-S1120 WeakPolarHBondContact O-CA 3.49Å; K1016-S1120 PolarHBondContact O-OG 2.99Å
1121	A	95.1	Very high	95.2	Very high	6 Å²	6	18.6 Å²	18.6	5%	0.05	9%	0.086	C	C	.	.	S	Bend	trans	-92.3	-2.1	178.2	0	0	0	0	0	114.3	I937 V940 V1123 R1158	I937-A1121 HydrophobicContact CD1-CB 3.76Å; I937-A1121 HydrophobicContact CG1-CB 4.17Å; V940-A1121 HydrophobicContact CG1-CB 4.28Å; A1121-V1123 HydrophobicContact CB-CG2 4.11Å; A1121-R1158 PolarHBondContact O-NH2 3.46Å
1122	G	97	Very high	96.6	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.054	C	C	.	.	S	Bend	trans	73.8	23.8	178.9	0	0	0	0	0	115.2	T980 C1119 T1126 R1158	T980-G1122 WeakPolarHBondContact O-CA 3.27Å; C1119-G1122 PolarHBondContact SG-N 2.65Å; G1122-T1126 VanDerWaalsContact C-CB 3.46Å; G1122-T1126 WeakPolarHBondContact CA-OG1 3.25Å; G1122-T1126 WeakPolarHBondContact O-CG2 3.49Å; G1122-R1158 PolarHBondContact O-NE 3.14Å
1123	V	97.8	Very high	97.3	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.031	C	C	.	.	S	Bend	trans	-136.9	-46.5	-174.4	-61.7	0	0	0	0	114.4	V940 A1121 G1127 R1158 M1159 F1160 M1161 I1162 Q1163	V940-V1123 HydrophobicContact CG1-CB 4.34Å; V940-V1123 HydrophobicContact CG1-CG1 3.5Å; V940-V1123 HydrophobicContact CG1-CG2 3.83Å; V940-V1123 HydrophobicContact CG2-CG2 4.44Å; A1121-V1123 HydrophobicContact CB-CG2 4.11Å; V1123-G1127 WeakPolarHBondContact O-CA 3.42Å; V1123-G1127 PolarHBondContact O-N 3.39Å; V1123-R1158 HydrophobicContact CG1-CG 3.87Å; V1123-R1158 VanDerWaalsContact CG1-NE 3.29Å; V1123-M1159 WeakPolarHBondContact CG1-O 3.31Å; V1123-F1160 WeakPolarHBondContact CB-O 3.41Å; V1123-F1160 HydrophobicContact CG2-CB 4.18Å; V1123-M1161 HydrophobicContact CB-SD 4.35Å; V1123-M1161 HydrophobicContact CG1-SD 4.45Å; V1123-M1161 WeakPolarHBondContact O-CA 3.34Å; V1123-I1162 PolarHBondContact O-N 3.37Å; V1123-Q1163 HydrophobicContact CG2-CG 3.98Å
1124	G	96.4	Very high	97.6	Very high	3 Å²	3	3.8 Å²	3.8	3%	0.031	2%	0.022	C	C	.	.	H	α-helix	trans	-64.9	-82.8	-179.5	0	0	0	0	0	113.1	T1126 G1127 V1128 Q1167	G1124-T1126 VanDerWaalsContact C-N 3.28Å; G1124-T1126 PolarHBondContact O-N 2.66Å; G1124-G1127 PolarHBondContact O-N 2.91Å; G1124-G1127 VanDerWaalsContact O-N 3.09Å; G1124-V1128 PolarHBondContact O-N 2.8Å; G1124-V1128 VanDerWaalsContact O-N 3.13Å; G1124-Q1167 VanDerWaalsContact CA-OE1 3.23Å
1125	R	97.6	Very high	97.6	Very high	26 Å²	26	3.5 Å²	3.5	10%	0.098	2%	0.021	C	C	.	.	H	α-helix	trans	-65.3	-30.5	178.6	-55.1	-179.9	177.2	150.5	-2.3	113.2	V1006 T1007 E1011 W1075 P1076 C1119 G1127 V1128 V1129	V1006-R1125 HydrophobicContact CB-CB 4.02Å; V1006-R1125 HydrophobicContact CG1-CB 3.8Å; V1006-R1125 WeakPolarHBondContact O-CD 3.37Å; V1006-R1125 PolarHBondContact O-NH1 3.46Å; T1007-R1125 PolarHBondContact OG1-NH1 2.77Å; T1007-R1125 VanDerWaalsContact OG1-NH1 3.12Å; E1011-R1125 VanDerWaalsContact CD-NH1 3.3Å; E1011-R1125 IonicContact OE1-CZ 3.18Å; E1011-R1125 IonicContact OE1-NH1 2.7Å; E1011-R1125 PolarHBondContact OE1-NH1 3.48Å; E1011-R1125 IonicContact OE1-NH2 3.47Å; E1011-R1125 IonicContact OE2-CZ 3.99Å; E1011-R1125 IonicContact OE2-NH1 3.72Å; E1011-R1125 PolarHBondContact OE2-NH1 3.03Å; E1011-R1125 IonicContact OE2-NH2 3.08Å; E1011-R1125 PolarHBondContact OE2-NH2 2.82Å; W1075-R1125 VanDerWaalsContact CD1-CZ 3.43Å; W1075-R1125 VanDerWaalsContact CD1-NH2 3.28Å; W1075-R1125 HydrophobicContact CD2-CG 3.79Å; W1075-R1125 HydrophobicContact CE3-CB 4.13Å; W1075-R1125 HydrophobicContact CE3-CG 3.88Å; W1075-R1125 VanDerWaalsContact CG-CZ 3.48Å; W1075-R1125 HydrophobicContact CH2-CB 4.02Å; W1075-R1125 HydrophobicContact CH2-CG 3.78Å; W1075-R1125 HydrophobicContact CZ2-CB 4.45Å; W1075-R1125 HydrophobicContact CZ2-CG 3.7Å; W1075-R1125 HydrophobicContact CZ3-CB 3.84Å; W1075-R1125 HydrophobicContact CZ3-CG 3.86Å; P1076-R1125 PolarHBondContact O-NH2 3Å; C1119-R1125 HydrophobicContact CB-CB 3.87Å; R1125-G1127 VanDerWaalsContact C-N 3.33Å; R1125-V1128 PolarHBondContact O-N 3.39Å; R1125-V1129 PolarHBondContact O-N 3.11Å
1126	T	98.5	Very high	97.5	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-58.6	-44.3	169.8	-63.6	0	0	0	0	111.5	A979 V1117 C1119 G1122 G1124 V1128 V1129 I1130 M1161	A979-T1126 HydrophobicContact CB-CG2 3.82Å; V1117-T1126 HydrophobicContact CB-CG2 4.05Å; V1117-T1126 HydrophobicContact CG1-CG2 3.87Å; V1117-T1126 WeakPolarHBondContact O-CG2 3.48Å; C1119-T1126 PolarHBondContact N-OG1 3.22Å; C1119-T1126 PolarHBondContact SG-OG1 3.41Å; G1122-T1126 VanDerWaalsContact C-CB 3.46Å; G1122-T1126 WeakPolarHBondContact CA-OG1 3.25Å; G1122-T1126 WeakPolarHBondContact O-CG2 3.49Å; G1124-T1126 VanDerWaalsContact C-N 3.28Å; G1124-T1126 PolarHBondContact O-N 2.66Å; T1126-V1128 VanDerWaalsContact C-N 3.34Å; T1126-V1129 PolarHBondContact O-N 3.07Å; T1126-I1130 HydrophobicContact CG2-CD1 3.99Å; T1126-I1130 WeakPolarHBondContact O-CG1 3.28Å; T1126-I1130 PolarHBondContact O-N 2.99Å; T1126-M1161 HydrophobicContact CG2-SD 4.43Å
1127	G	98.3	Very high	97.2	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-66.5	-33.7	175.3	0	0	0	0	0	113	V1123 G1124 R1125 L1131	V1123-G1127 WeakPolarHBondContact O-CA 3.42Å; V1123-G1127 PolarHBondContact O-N 3.39Å; G1124-G1127 PolarHBondContact O-N 2.91Å; G1124-G1127 VanDerWaalsContact O-N 3.09Å; R1125-G1127 VanDerWaalsContact C-N 3.33Å; G1127-L1131 WeakPolarHBondContact O-CB 3.42Å; G1127-L1131 PolarHBondContact O-N 2.89Å
1128	V	98.5	Very high	96.9	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-63.7	-50.6	173	176.2	0	0	0	0	111	W1075 F1087 G1124 R1125 T1126 I1130 L1131 S1132 I1162 Q1167 F1170 V1171	W1075-V1128 HydrophobicContact CH2-CB 4.02Å; W1075-V1128 HydrophobicContact CH2-CG1 3.96Å; W1075-V1128 HydrophobicContact CH2-CG2 4.01Å; W1075-V1128 HydrophobicContact CZ3-CG1 4.37Å; F1087-V1128 HydrophobicContact CE1-CG1 4.1Å; F1087-V1128 HydrophobicContact CZ-CG1 3.78Å; G1124-V1128 PolarHBondContact O-N 2.8Å; G1124-V1128 VanDerWaalsContact O-N 3.13Å; R1125-V1128 PolarHBondContact O-N 3.39Å; T1126-V1128 VanDerWaalsContact C-N 3.34Å; V1128-I1130 PolarHBondContact O-N 2.93Å; V1128-L1131 PolarHBondContact O-N 3.1Å; V1128-S1132 VanDerWaalsContact O-CB 3.23Å; V1128-S1132 WeakPolarHBondContact O-CB 3.42Å; V1128-S1132 PolarHBondContact O-N 2.97Å; V1128-S1132 PolarHBondContact O-OG 2.76Å; V1128-I1162 HydrophobicContact CG2-CD1 4.25Å; V1128-I1162 HydrophobicContact CG2-CG1 4.14Å; V1128-Q1167 HydrophobicContact CG2-CB 3.68Å; V1128-Q1167 HydrophobicContact CG2-CG 4.15Å; V1128-F1170 HydrophobicContact CG1-CD1 3.87Å; V1128-F1170 HydrophobicContact CG1-CE1 4.3Å; V1128-V1171 HydrophobicContact CB-CG2 4.22Å; V1128-V1171 HydrophobicContact CG1-CG2 3.81Å; V1128-V1171 HydrophobicContact CG2-CG2 4.19Å
1129	V	98.5	Very high	96.6	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-59.2	-50.4	178.4	166.1	0	0	0	0	111.6	V1006 F1087 Y1090 L1091 I1094 V1117 R1125 T1126 S1132 E1133	V1006-V1129 HydrophobicContact CB-CG2 4.47Å; V1006-V1129 HydrophobicContact CG1-CG2 3.95Å; V1006-V1129 HydrophobicContact CG2-CB 4.41Å; V1006-V1129 HydrophobicContact CG2-CG2 3.64Å; F1087-V1129 HydrophobicContact CE2-CG2 3.87Å; F1087-V1129 HydrophobicContact CZ-CG2 3.62Å; Y1090-V1129 HydrophobicContact CE1-CG2 4.15Å; L1091-V1129 HydrophobicContact CD2-CB 4.43Å; L1091-V1129 HydrophobicContact CD2-CG1 3.92Å; L1091-V1129 HydrophobicContact CD2-CG2 4.38Å; I1094-V1129 HydrophobicContact CD1-CG1 4.09Å; V1117-V1129 HydrophobicContact CG1-CB 4.18Å; V1117-V1129 HydrophobicContact CG1-CG1 4Å; R1125-V1129 PolarHBondContact O-N 3.11Å; T1126-V1129 PolarHBondContact O-N 3.07Å; V1129-S1132 PolarHBondContact O-N 2.66Å; V1129-E1133 WeakPolarHBondContact O-CB 3.3Å; V1129-E1133 PolarHBondContact O-N 2.97Å
1130	I	98.5	Very high	96.3	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-65.7	-42.1	-177.7	-67.6	176.4	0	0	0	111.3	Y977 A979 V1117 T1126 V1128 L1134 L1154 M1161	Y977-I1130 HydrophobicContact CD1-CD1 4.03Å; Y977-I1130 HydrophobicContact CD1-CG1 3.82Å; Y977-I1130 HydrophobicContact CD2-CD1 4.48Å; Y977-I1130 HydrophobicContact CD2-CG2 4.14Å; Y977-I1130 HydrophobicContact CE1-CG1 3.98Å; Y977-I1130 HydrophobicContact CE1-CG2 4.48Å; Y977-I1130 HydrophobicContact CE2-CG2 3.91Å; Y977-I1130 HydrophobicContact CG-CD1 3.94Å; Y977-I1130 HydrophobicContact CG-CG1 4.14Å; A979-I1130 HydrophobicContact CB-CD1 4.25Å; V1117-I1130 HydrophobicContact CB-CD1 4.1Å; V1117-I1130 HydrophobicContact CB-CG1 4.32Å; V1117-I1130 HydrophobicContact CG1-CG1 4.37Å; V1117-I1130 HydrophobicContact CG2-CD1 4.12Å; V1117-I1130 HydrophobicContact CG2-CG1 4.06Å; T1126-I1130 HydrophobicContact CG2-CD1 3.99Å; T1126-I1130 WeakPolarHBondContact O-CG1 3.28Å; T1126-I1130 PolarHBondContact O-N 2.99Å; V1128-I1130 PolarHBondContact O-N 2.93Å; I1130-L1134 HydrophobicContact CG2-CD1 3.77Å; I1130-L1134 WeakPolarHBondContact O-CB 3.15Å; I1130-L1134 WeakPolarHBondContact O-CD1 3.4Å; I1130-L1134 WeakPolarHBondContact O-CG 3.34Å; I1130-L1134 PolarHBondContact O-N 3.02Å; I1130-L1134 VanDerWaalsContact O-N 3.15Å; I1130-L1154 HydrophobicContact CG2-CD1 4.08Å; I1130-L1154 HydrophobicContact CG2-CD2 3.69Å; I1130-M1161 HydrophobicContact CB-CE 4.39Å; I1130-M1161 HydrophobicContact CD1-CE 4.09Å
1131	L	98.4	Very high	95.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-69.8	-43.7	178.2	-173.2	62.7	0	0	0	111.7	G1127 V1128 E1133 L1134 M1135 V1147 M1150 L1151 L1154 I1162 Y1168 V1171	G1127-L1131 WeakPolarHBondContact O-CB 3.42Å; G1127-L1131 PolarHBondContact O-N 2.89Å; V1128-L1131 PolarHBondContact O-N 3.1Å; L1131-E1133 PolarHBondContact O-N 3.18Å; L1131-L1134 PolarHBondContact O-N 2.94Å; L1131-M1135 HydrophobicContact CD1-CG 3.7Å; L1131-M1135 HydrophobicContact CD1-SD 4.15Å; L1131-M1135 HydrophobicContact CG-CG 4.02Å; L1131-M1135 VanDerWaalsContact O-CB 3.3Å; L1131-M1135 WeakPolarHBondContact O-CB 3.21Å; L1131-M1135 WeakPolarHBondContact O-CG 3.45Å; L1131-M1135 PolarHBondContact O-N 3.22Å; L1131-V1147 HydrophobicContact CD2-CG1 3.82Å; L1131-V1147 HydrophobicContact CG-CG1 4.43Å; L1131-M1150 HydrophobicContact CD1-CB 3.7Å; L1131-M1150 HydrophobicContact CD1-CG 3.4Å; L1131-M1150 VanDerWaalsContact CD1-CG 3.4Å; L1131-L1151 HydrophobicContact CD2-CB 4.03Å; L1131-L1151 HydrophobicContact CD2-CD1 4.3Å; L1131-L1154 HydrophobicContact CB-CD1 3.9Å; L1131-L1154 HydrophobicContact CD1-CD1 3.96Å; L1131-L1154 HydrophobicContact CG-CD1 4.48Å; L1131-I1162 HydrophobicContact CB-CD1 4.15Å; L1131-I1162 HydrophobicContact CD2-CD1 3.46Å; L1131-I1162 VanDerWaalsContact CD2-CD1 3.46Å; L1131-I1162 HydrophobicContact CG-CD1 4.45Å; L1131-Y1168 HydrophobicContact CD2-CE2 4.38Å; L1131-V1171 HydrophobicContact CD2-CG1 4.05Å; L1131-V1171 HydrophobicContact CD2-CG2 4.33Å; L1131-V1171 HydrophobicContact CG-CG1 4.09Å
1132	S	98.3	Very high	95.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.4	-45.8	177.2	-75.2	0	0	0	0	111.8	V1128 V1129 M1135 I1136	V1128-S1132 VanDerWaalsContact O-CB 3.23Å; V1128-S1132 WeakPolarHBondContact O-CB 3.42Å; V1128-S1132 PolarHBondContact O-N 2.97Å; V1128-S1132 PolarHBondContact O-OG 2.76Å; V1129-S1132 PolarHBondContact O-N 2.66Å; S1132-M1135 PolarHBondContact O-N 2.91Å; S1132-I1136 VanDerWaalsContact O-CB 3.28Å; S1132-I1136 WeakPolarHBondContact O-CB 3.48Å; S1132-I1136 WeakPolarHBondContact O-CG1 3.28Å; S1132-I1136 PolarHBondContact O-N 3.27Å
1133	E	97.3	Very high	95.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.5	-45.1	179.2	-169.7	176	-147.8	0	0	112.2	W975 Y977 Q1095 R1098 V1129 L1131 I1136 Y1137	W975-E1133 HydrophobicContact CH2-CG 4.19Å; W975-E1133 HydrophobicContact CZ3-CG 3.78Å; Y977-E1133 WeakPolarHBondContact CE1-OE2 3.35Å; Y977-E1133 PolarHBondContact OH-OE2 2.93Å; Y977-E1133 VanDerWaalsContact OH-OE2 3.1Å; Q1095-E1133 WeakPolarHBondContact CG-OE1 3.38Å; R1098-E1133 IonicContact CZ-OE1 3.98Å; R1098-E1133 VanDerWaalsContact CZ-OE1 3.31Å; R1098-E1133 IonicContact CZ-OE2 2.78Å; R1098-E1133 IonicContact NH1-OE1 3.2Å; R1098-E1133 IonicContact NH1-OE2 3.6Å; R1098-E1133 PolarHBondContact NH1-OE2 3.27Å; R1098-E1133 IonicContact NH2-OE1 3.65Å; R1098-E1133 PolarHBondContact NH2-OE1 3Å; R1098-E1133 IonicContact NH2-OE2 2.64Å; R1098-E1133 PolarHBondContact NH2-OE2 3.4Å; V1129-E1133 WeakPolarHBondContact O-CB 3.3Å; V1129-E1133 PolarHBondContact O-N 2.97Å; L1131-E1133 PolarHBondContact O-N 3.18Å; E1133-I1136 PolarHBondContact O-N 3.24Å; E1133-Y1137 PolarHBondContact O-N 3.22Å
1134	L	96.8	Very high	94.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.7	-41	176.7	-70.2	167.5	0	0	0	112.7	V968 W975 Y977 I1130 L1131 Y1137 C1138 M1150 L1154	V968-L1134 HydrophobicContact CB-CD1 4.27Å; V968-L1134 HydrophobicContact CB-CD2 4.04Å; V968-L1134 HydrophobicContact CG1-CD1 4.28Å; V968-L1134 HydrophobicContact CG1-CD2 4.13Å; V968-L1134 HydrophobicContact CG2-CD1 3.75Å; V968-L1134 HydrophobicContact CG2-CD2 4.34Å; W975-L1134 HydrophobicContact CB-CD2 3.93Å; W975-L1134 HydrophobicContact CD2-CD2 3.9Å; W975-L1134 HydrophobicContact CE3-CD2 4.39Å; W975-L1134 HydrophobicContact CG-CD2 3.66Å; Y977-L1134 HydrophobicContact CE2-CD1 4.38Å; Y977-L1134 HydrophobicContact CE2-CD2 4.32Å; Y977-L1134 HydrophobicContact CE2-CG 4.42Å; I1130-L1134 HydrophobicContact CG2-CD1 3.77Å; I1130-L1134 WeakPolarHBondContact O-CB 3.15Å; I1130-L1134 WeakPolarHBondContact O-CD1 3.4Å; I1130-L1134 WeakPolarHBondContact O-CG 3.34Å; I1130-L1134 PolarHBondContact O-N 3.02Å; I1130-L1134 VanDerWaalsContact O-N 3.15Å; L1131-L1134 PolarHBondContact O-N 2.94Å; L1134-Y1137 PolarHBondContact O-N 3.39Å; L1134-C1138 PolarHBondContact O-N 3.44Å; L1134-C1138 PolarHBondContact O-SG 2.88Å; L1134-M1150 HydrophobicContact CD1-CG 4.49Å; L1134-M1150 HydrophobicContact CD1-SD 4.1Å; L1134-L1154 HydrophobicContact CD1-CD2 4.03Å
1135	M	96.2	Very high	93.9	Very high	1 Å²	1	28 Å²	28	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-76.3	-28.5	-179.9	-64	-47.1	-56.2	0	0	112.5	L1131 S1132 C1138 L1139 V1145 V1147 M1150 L1175	L1131-M1135 HydrophobicContact CD1-CG 3.7Å; L1131-M1135 HydrophobicContact CD1-SD 4.15Å; L1131-M1135 HydrophobicContact CG-CG 4.02Å; L1131-M1135 VanDerWaalsContact O-CB 3.3Å; L1131-M1135 WeakPolarHBondContact O-CB 3.21Å; L1131-M1135 WeakPolarHBondContact O-CG 3.45Å; L1131-M1135 PolarHBondContact O-N 3.22Å; S1132-M1135 PolarHBondContact O-N 2.91Å; M1135-C1138 HydrophobicContact CE-CB 4.28Å; M1135-C1138 WeakPolarHBondContact O-CB 3.46Å; M1135-C1138 PolarHBondContact O-N 2.93Å; M1135-L1139 WeakPolarHBondContact O-CG 3.43Å; M1135-L1139 PolarHBondContact O-N 2.59Å; M1135-V1145 HydrophobicContact CE-CB 4.04Å; M1135-V1145 HydrophobicContact CE-CG1 3.7Å; M1135-V1145 HydrophobicContact CE-CG2 4.18Å; M1135-V1147 HydrophobicContact CE-CG2 4.13Å; M1135-V1147 HydrophobicContact CG-CG2 4.43Å; M1135-M1150 HydrophobicContact SD-CB 3.56Å; M1135-M1150 VanDerWaalsContact SD-CB 3.56Å; M1135-M1150 HydrophobicContact SD-CE 4.48Å; M1135-M1150 HydrophobicContact SD-CG 3.74Å; M1135-L1175 HydrophobicContact CB-CD1 3.71Å; M1135-L1175 HydrophobicContact CB-CD2 3.53Å; M1135-L1175 HydrophobicContact CB-CG 4.25Å; M1135-L1175 HydrophobicContact CG-CD1 4.3Å
1136	I	95.3	Very high	93.5	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.026	14%	0.143	C	C	.	.	H	α-helix	trans	-63.2	-48.6	167.5	-76.6	168.6	0	0	0	109.8	L1088 L1091 S1132 E1133 C1138 L1139 E1140 V1174 L1175 F1178	L1088-I1136 HydrophobicContact CD2-CD1 3.8Å; L1091-I1136 HydrophobicContact CD1-CD1 3.75Å; S1132-I1136 VanDerWaalsContact O-CB 3.28Å; S1132-I1136 WeakPolarHBondContact O-CB 3.48Å; S1132-I1136 WeakPolarHBondContact O-CG1 3.28Å; S1132-I1136 PolarHBondContact O-N 3.27Å; E1133-I1136 PolarHBondContact O-N 3.24Å; I1136-C1138 VanDerWaalsContact C-N 3.25Å; I1136-C1138 PolarHBondContact O-N 2.83Å; I1136-L1139 WeakPolarHBondContact O-CA 3.38Å; I1136-L1139 WeakPolarHBondContact O-CB 3.49Å; I1136-L1139 PolarHBondContact O-N 2.92Å; I1136-E1140 HydrophobicContact CG2-CG 4.33Å; I1136-E1140 WeakPolarHBondContact O-CG 3.47Å; I1136-E1140 PolarHBondContact O-N 3.24Å; I1136-V1174 HydrophobicContact CD1-CG1 4.27Å; I1136-L1175 HydrophobicContact CG1-CD2 3.86Å; I1136-F1178 HydrophobicContact CD1-CD2 4.21Å; I1136-F1178 HydrophobicContact CD1-CG 4.39Å; I1136-F1178 HydrophobicContact CG1-CB 4.36Å; I1136-F1178 HydrophobicContact CG1-CD1 4.29Å; I1136-F1178 HydrophobicContact CG1-CD2 4.18Å; I1136-F1178 HydrophobicContact CG1-CG 4Å; I1136-F1178 HydrophobicContact CG2-CD1 4.38Å; I1136-F1178 HydrophobicContact CG2-CD2 4.06Å; I1136-F1178 HydrophobicContact CG2-CE1 4.01Å; I1136-F1178 HydrophobicContact CG2-CE2 3.67Å; I1136-F1178 HydrophobicContact CG2-CG 4.4Å; I1136-F1178 HydrophobicContact CG2-CZ 3.65Å
1137	Y	93.7	Very high	93.3	Very high	31 Å²	31	30.1 Å²	30.1	12%	0.122	14%	0.144	C	C	.	.	H	α-helix	trans	-57.1	-40	175.2	-178.6	-103.6	0	0	0	112.2	V970 A973 W975 E1133 L1134 L1139 E1140 H1141	V970-Y1137 HydrophobicContact CB-CD1 3.94Å; V970-Y1137 HydrophobicContact CB-CE1 3.9Å; V970-Y1137 HydrophobicContact CG1-CD1 3.74Å; V970-Y1137 HydrophobicContact CG1-CE1 3.83Å; A973-Y1137 HydrophobicContact CB-CE1 4.19Å; A973-Y1137 WeakPolarHBondContact CB-OH 3.39Å; W975-Y1137 HydrophobicContact CH2-CD2 4.42Å; W975-Y1137 HydrophobicContact CH2-CG 4.48Å; W975-Y1137 HydrophobicContact CZ2-CD1 4.07Å; W975-Y1137 AromaticContact CZ2-CD2 3.53Å; W975-Y1137 HydrophobicContact CZ2-CD2 3.53Å; W975-Y1137 HydrophobicContact CZ2-CE2 4.07Å; W975-Y1137 AromaticContact CZ2-CG 3.51Å; W975-Y1137 HydrophobicContact CZ2-CG 3.51Å; W975-Y1137 AromaticContact NE1-CD1 3.71Å; W975-Y1137 AromaticContact NE1-CE1 3.84Å; E1133-Y1137 PolarHBondContact O-N 3.22Å; L1134-Y1137 PolarHBondContact O-N 3.39Å; Y1137-L1139 VanDerWaalsContact C-N 3.31Å; Y1137-L1139 PolarHBondContact O-N 2.89Å; Y1137-E1140 PolarHBondContact O-N 3.41Å; Y1137-H1141 AromaticContact CD2-CE1 3.48Å; Y1137-H1141 VanDerWaalsContact CD2-CE1 3.48Å; Y1137-H1141 WeakPolarHBondContact CD2-CE1 3.32Å; Y1137-H1141 AromaticContact CD2-ND1 3.32Å; Y1137-H1141 VanDerWaalsContact CD2-ND1 3.32Å; Y1137-H1141 WeakPolarHBondContact CD2-ND1 3.34Å; Y1137-H1141 AromaticContact CE2-CD2 3.89Å; Y1137-H1141 AromaticContact CE2-CE1 3.11Å; Y1137-H1141 WeakPolarHBondContact CE2-CE1 3.24Å; Y1137-H1141 AromaticContact CE2-CG 3.73Å; Y1137-H1141 AromaticContact CE2-ND1 3.2Å; Y1137-H1141 WeakPolarHBondContact CE2-ND1 3.42Å; Y1137-H1141 AromaticContact CE2-NE2 3.55Å; Y1137-H1141 AromaticContact CG-ND1 3.99Å; Y1137-H1141 AromaticContact CZ-CD2 3.9Å; Y1137-H1141 AromaticContact CZ-CE1 3.9Å; Y1137-H1141 AromaticContact CZ-CG 3.76Å; Y1137-H1141 AromaticContact CZ-ND1 3.73Å; Y1137-H1141 WeakPolarHBondContact O-CB 3.27Å; Y1137-H1141 PolarHBondContact O-N 2.87Å; Y1137-H1141 PolarHBondContact O-ND1 2.79Å; Y1137-H1141 VanDerWaalsContact O-ND1 3.16Å
1138	C	92.5	Very high	93.2	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.027	15%	0.152	C	C	.	.	H	α-helix	trans	-63.5	-33.4	173.3	-64.2	0	0	0	0	113.3	R894 L1134 M1135 I1136 N1142 E1143 V1145	R894-C1138 PolarHBondContact NH2-O 2.99Å; L1134-C1138 PolarHBondContact O-N 3.44Å; L1134-C1138 PolarHBondContact O-SG 2.88Å; M1135-C1138 HydrophobicContact CE-CB 4.28Å; M1135-C1138 WeakPolarHBondContact O-CB 3.46Å; M1135-C1138 PolarHBondContact O-N 2.93Å; I1136-C1138 VanDerWaalsContact C-N 3.25Å; I1136-C1138 PolarHBondContact O-N 2.83Å; C1138-N1142 PolarHBondContact O-N 2.87Å; C1138-E1143 HydrophobicContact CB-CB 4.06Å; C1138-E1143 PolarHBondContact O-N 2.84Å; C1138-V1145 HydrophobicContact CB-CG2 3.76Å
1139	L	91.3	Very high	93	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-68.9	-54.4	175.4	-72.1	165.4	0	0	0	110.4	R894 L898 M1135 I1136 Y1137 H1141 N1142 V1145 L1175 F1178 L1179	R894-L1139 PolarHBondContact NH1-O 3.33Å; L898-L1139 HydrophobicContact CD1-CD2 4.42Å; M1135-L1139 WeakPolarHBondContact O-CG 3.43Å; M1135-L1139 PolarHBondContact O-N 2.59Å; I1136-L1139 WeakPolarHBondContact O-CA 3.38Å; I1136-L1139 WeakPolarHBondContact O-CB 3.49Å; I1136-L1139 PolarHBondContact O-N 2.92Å; Y1137-L1139 VanDerWaalsContact C-N 3.31Å; Y1137-L1139 PolarHBondContact O-N 2.89Å; L1139-H1141 VanDerWaalsContact C-N 3.32Å; L1139-H1141 PolarHBondContact O-N 2.78Å; L1139-N1142 PolarHBondContact O-N 3.09Å; L1139-V1145 HydrophobicContact CD2-CG1 4.42Å; L1139-V1145 HydrophobicContact CD2-CG2 3.77Å; L1139-V1145 HydrophobicContact CG-CG2 3.99Å; L1139-L1175 HydrophobicContact CD1-CB 4.07Å; L1139-L1175 HydrophobicContact CD1-CD2 3.55Å; L1139-L1175 HydrophobicContact CD1-CG 4.35Å; L1139-F1178 HydrophobicContact CB-CD1 4.35Å; L1139-F1178 HydrophobicContact CB-CE1 4.15Å; L1139-F1178 HydrophobicContact CD1-CD1 4.02Å; L1139-L1179 HydrophobicContact CB-CD2 4.35Å; L1139-L1179 HydrophobicContact CD1-CD2 4.37Å; L1139-L1179 HydrophobicContact CD1-CG 4.12Å; L1139-L1179 HydrophobicContact CD2-CD1 3.92Å; L1139-L1179 HydrophobicContact CD2-CD2 3.99Å; L1139-L1179 HydrophobicContact CD2-CG 4.06Å; L1139-L1179 HydrophobicContact CG-CD2 4.49Å
1140	E	90.6	Very high	93	Very high	77 Å²	77	36.1 Å²	36.1	36%	0.36	18%	0.179	S	C	.	.	H	α-helix	trans	-52.7	-45.8	178.3	-67.2	169.4	163.2	0	0	112.8	I1136 Y1137 N1142 F1178	I1136-E1140 HydrophobicContact CG2-CG 4.33Å; I1136-E1140 WeakPolarHBondContact O-CG 3.47Å; I1136-E1140 PolarHBondContact O-N 3.24Å; Y1137-E1140 PolarHBondContact O-N 3.41Å; E1140-N1142 VanDerWaalsContact C-N 3.3Å; E1140-N1142 PolarHBondContact O-N 2.88Å; E1140-F1178 HydrophobicContact CG-CE1 4.06Å; E1140-F1178 HydrophobicContact CG-CZ 3.68Å
1141	H	88.2	Confident	93	Very high	71 Å²	71	36.1 Å²	36.1	33%	0.329	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	5.2	-173.8	-67.5	69	0	0	0	113.4	Y1137 L1139 E1143	Y1137-H1141 AromaticContact CD2-CE1 3.48Å; Y1137-H1141 VanDerWaalsContact CD2-CE1 3.48Å; Y1137-H1141 WeakPolarHBondContact CD2-CE1 3.32Å; Y1137-H1141 AromaticContact CD2-ND1 3.32Å; Y1137-H1141 VanDerWaalsContact CD2-ND1 3.32Å; Y1137-H1141 WeakPolarHBondContact CD2-ND1 3.34Å; Y1137-H1141 AromaticContact CE2-CD2 3.89Å; Y1137-H1141 AromaticContact CE2-CE1 3.11Å; Y1137-H1141 WeakPolarHBondContact CE2-CE1 3.24Å; Y1137-H1141 AromaticContact CE2-CG 3.73Å; Y1137-H1141 AromaticContact CE2-ND1 3.2Å; Y1137-H1141 WeakPolarHBondContact CE2-ND1 3.42Å; Y1137-H1141 AromaticContact CE2-NE2 3.55Å; Y1137-H1141 AromaticContact CG-ND1 3.99Å; Y1137-H1141 AromaticContact CZ-CD2 3.9Å; Y1137-H1141 AromaticContact CZ-CE1 3.9Å; Y1137-H1141 AromaticContact CZ-CG 3.76Å; Y1137-H1141 AromaticContact CZ-ND1 3.73Å; Y1137-H1141 WeakPolarHBondContact O-CB 3.27Å; Y1137-H1141 PolarHBondContact O-N 2.87Å; Y1137-H1141 PolarHBondContact O-ND1 2.79Å; Y1137-H1141 VanDerWaalsContact O-ND1 3.16Å; L1139-H1141 VanDerWaalsContact C-N 3.32Å; L1139-H1141 PolarHBondContact O-N 2.78Å; H1141-E1143 HydrophobicContact CB-CG 4.18Å; H1141-E1143 PolarHBondContact O-N 2.96Å
1142	N	86.6	Confident	92.9	Very high	97 Å²	97	42 Å²	42	52%	0.519	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	24.6	-177.5	-65.4	-73.1	0	0	0	115.1	R894 C1138 L1139 E1140	R894-N1142 PolarHBondContact NH1-OD1 2.89Å; R894-N1142 VanDerWaalsContact NH1-OD1 3.12Å; C1138-N1142 PolarHBondContact O-N 2.87Å; L1139-N1142 PolarHBondContact O-N 3.09Å; E1140-N1142 VanDerWaalsContact C-N 3.3Å; E1140-N1142 PolarHBondContact O-N 2.88Å
1143	E	89.2	Confident	92.8	Very high	74 Å²	74	46.4 Å²	46.4	35%	0.346	22%	0.221	S	C	.	.			trans	-69.3	167.1	173.9	-70	-70.9	173.5	0	0	112.6	R894 V970 G971 C1138 H1141 V1145	R894-E1143 PolarHBondContact NH2-O 3.22Å; V970-E1143 HydrophobicContact CG1-CB 4.4Å; V970-E1143 HydrophobicContact CG1-CG 4.02Å; G971-E1143 WeakPolarHBondContact CA-OE1 3.36Å; G971-E1143 PolarHBondContact N-OE1 3.08Å; C1138-E1143 HydrophobicContact CB-CB 4.06Å; C1138-E1143 PolarHBondContact O-N 2.84Å; H1141-E1143 HydrophobicContact CB-CG 4.18Å; H1141-E1143 PolarHBondContact O-N 2.96Å; E1143-V1145 PolarHBondContact O-N 3.44Å; E1143-V1145 VanDerWaalsContact O-N 3.07Å
1144	K	85.3	Confident	92.9	Very high	157 Å²	157	46.4 Å²	46.4	68%	0.683	22%	0.221	S	C	*	.			trans	-69.8	105.3	-179	-159	-167.1	-168.1	-162.4	0	111.3	E1146	K1144-E1146 HydrophobicContact CD-CG 4.29Å; K1144-E1146 WeakPolarHBondContact CE-OE1 3.3Å; K1144-E1146 HydrophobicContact CG-CG 4.38Å; K1144-E1146 IonicContact NZ-OE1 3.7Å; K1144-E1146 PolarHBondContact NZ-OE1 2.86Å; K1144-E1146 PolarHBondContact O-N 3.19Å
1145	V	82.9	Confident	92.9	Very high	39 Å²	39	46.5 Å²	46.5	24%	0.236	22%	0.221	C	C	.	.			trans	-80.2	90.4	-177.4	168.2	0	0	0	0	111.1	L898 M1135 C1138 L1139 E1143 V1147	L898-V1145 HydrophobicContact CD2-CG1 4.37Å; M1135-V1145 HydrophobicContact CE-CB 4.04Å; M1135-V1145 HydrophobicContact CE-CG1 3.7Å; M1135-V1145 HydrophobicContact CE-CG2 4.18Å; C1138-V1145 HydrophobicContact CB-CG2 3.76Å; L1139-V1145 HydrophobicContact CD2-CG1 4.42Å; L1139-V1145 HydrophobicContact CD2-CG2 3.77Å; L1139-V1145 HydrophobicContact CG-CG2 3.99Å; E1143-V1145 PolarHBondContact O-N 3.44Å; E1143-V1145 VanDerWaalsContact O-N 3.07Å; V1145-V1147 HydrophobicContact CG1-CG2 4.46Å
1146	E	88.9	Confident	93	Very high	71 Å²	71	49.7 Å²	49.7	33%	0.332	24%	0.236	S	C	.	.			trans	-117.1	82.5	171.2	-68.3	-172	175.3	0	0	111.6	K1144 P1148 T1149 M1150	K1144-E1146 HydrophobicContact CD-CG 4.29Å; K1144-E1146 WeakPolarHBondContact CE-OE1 3.3Å; K1144-E1146 HydrophobicContact CG-CG 4.38Å; K1144-E1146 IonicContact NZ-OE1 3.7Å; K1144-E1146 PolarHBondContact NZ-OE1 2.86Å; K1144-E1146 PolarHBondContact O-N 3.19Å; E1146-P1148 VanDerWaalsContact C-CD 3.47Å; E1146-T1149 WeakPolarHBondContact CB-OG1 3.48Å; E1146-T1149 PolarHBondContact O-N 3.31Å; E1146-T1149 VanDerWaalsContact O-N 3.12Å; E1146-T1149 WeakPolarHBondContact OE2-CB 3.39Å; E1146-T1149 PolarHBondContact OE2-OG1 2.79Å; E1146-M1150 PolarHBondContact O-N 3.47Å
1147	V	94.6	Very high	93.1	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-46.8	-46.4	175	-168	0	0	0	0	113.7	L1131 M1135 V1145 L1151 Y1168 V1171 Y1172 L1175	L1131-V1147 HydrophobicContact CD2-CG1 3.82Å; L1131-V1147 HydrophobicContact CG-CG1 4.43Å; M1135-V1147 HydrophobicContact CE-CG2 4.13Å; M1135-V1147 HydrophobicContact CG-CG2 4.43Å; V1145-V1147 HydrophobicContact CG1-CG2 4.46Å; V1147-L1151 WeakPolarHBondContact O-CB 3.18Å; V1147-L1151 PolarHBondContact O-N 3.05Å; V1147-Y1168 HydrophobicContact CG1-CE2 3.78Å; V1147-V1171 HydrophobicContact CG1-CG1 4.28Å; V1147-Y1172 HydrophobicContact CB-CE2 3.92Å; V1147-Y1172 HydrophobicContact CG1-CD2 4.42Å; V1147-Y1172 HydrophobicContact CG1-CE2 3.8Å; V1147-Y1172 HydrophobicContact CG2-CE1 4.39Å; V1147-Y1172 HydrophobicContact CG2-CE2 4.07Å; V1147-L1175 HydrophobicContact CG2-CD1 3.85Å
1148	P	95.6	Very high	93.3	Very high	27 Å²	27	49.4 Å²	49.4	18%	0.175	24%	0.235	C	C	.	.	H	α-helix	trans	-70	-35.1	179.5	27.3	-36.8	0	0	0	113.5	E910 I914 E1146 L1151 R1152 Y1168	E910-P1148 HydrophobicContact CG-CB 3.79Å; E910-P1148 HydrophobicContact CG-CG 3.96Å; I914-P1148 HydrophobicContact CD1-CB 3.74Å; I914-P1148 HydrophobicContact CG1-CB 4.22Å; E1146-P1148 VanDerWaalsContact C-CD 3.47Å; P1148-L1151 PolarHBondContact O-N 3.1Å; P1148-R1152 WeakPolarHBondContact O-CB 3.43Å; P1148-R1152 PolarHBondContact O-N 3.09Å; P1148-Y1168 WeakPolarHBondContact CA-OH 3.3Å; P1148-Y1168 WeakPolarHBondContact CD-OH 3.48Å
1149	T	95.5	Very high	93.6	Very high	72 Å²	72	49.5 Å²	49.5	44%	0.442	24%	0.236	S	C	.	.	H	α-helix	trans	-66.8	-44.2	177.6	-55.5	0	0	0	0	110.3	E1146 R1152 F1153	E1146-T1149 WeakPolarHBondContact CB-OG1 3.48Å; E1146-T1149 PolarHBondContact O-N 3.31Å; E1146-T1149 VanDerWaalsContact O-N 3.12Å; E1146-T1149 WeakPolarHBondContact OE2-CB 3.39Å; E1146-T1149 PolarHBondContact OE2-OG1 2.79Å; T1149-R1152 PolarHBondContact O-N 3.44Å; T1149-F1153 PolarHBondContact O-N 3.31Å
1150	M	97.3	Very high	93.9	Very high	26 Å²	26	52 Å²	52	13%	0.128	25%	0.247	C	C	.	.	H	α-helix	trans	-64.9	-41.4	174.2	-172.6	62.5	73.6	0	0	111.7	V968 V970 L1131 L1134 M1135 E1146 R1152 F1153 L1154	V968-M1150 HydrophobicContact CG1-CE 4.04Å; V968-M1150 HydrophobicContact CG1-SD 3.76Å; V970-M1150 HydrophobicContact CG2-CE 3.9Å; L1131-M1150 HydrophobicContact CD1-CB 3.7Å; L1131-M1150 HydrophobicContact CD1-CG 3.4Å; L1131-M1150 VanDerWaalsContact CD1-CG 3.4Å; L1134-M1150 HydrophobicContact CD1-CG 4.49Å; L1134-M1150 HydrophobicContact CD1-SD 4.1Å; M1135-M1150 HydrophobicContact SD-CB 3.56Å; M1135-M1150 VanDerWaalsContact SD-CB 3.56Å; M1135-M1150 HydrophobicContact SD-CE 4.48Å; M1135-M1150 HydrophobicContact SD-CG 3.74Å; E1146-M1150 PolarHBondContact O-N 3.47Å; M1150-R1152 PolarHBondContact O-N 3.14Å; M1150-F1153 WeakPolarHBondContact O-CB 2.97Å; M1150-F1153 PolarHBondContact O-N 2.92Å; M1150-F1153 HydrophobicContact SD-CD1 4.42Å; M1150-L1154 WeakPolarHBondContact O-CG 3.49Å; M1150-L1154 PolarHBondContact O-N 3.31Å
1151	L	98	Very high	94.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.7	-39.2	176	-177.5	56.5	0	0	0	112.5	Y911 I914 L1131 V1147 P1148 F1153 L1154 R1155 M1161 I1162 Y1168	Y911-L1151 HydrophobicContact CD2-CD2 4.37Å; Y911-L1151 HydrophobicContact CE2-CD2 4.38Å; I914-L1151 HydrophobicContact CD1-CB 4.27Å; I914-L1151 HydrophobicContact CD1-CD2 3.88Å; I914-L1151 HydrophobicContact CD1-CG 4.33Å; I914-L1151 HydrophobicContact CG2-CG 4.45Å; L1131-L1151 HydrophobicContact CD2-CB 4.03Å; L1131-L1151 HydrophobicContact CD2-CD1 4.3Å; V1147-L1151 WeakPolarHBondContact O-CB 3.18Å; V1147-L1151 PolarHBondContact O-N 3.05Å; P1148-L1151 PolarHBondContact O-N 3.1Å; L1151-F1153 VanDerWaalsContact C-N 3.33Å; L1151-F1153 PolarHBondContact O-N 3.45Å; L1151-L1154 PolarHBondContact O-N 2.74Å; L1151-R1155 HydrophobicContact CD1-CG 4.34Å; L1151-R1155 WeakPolarHBondContact O-CG 3.26Å; L1151-R1155 PolarHBondContact O-N 2.96Å; L1151-M1161 HydrophobicContact CD1-CB 4.28Å; L1151-M1161 WeakPolarHBondContact CD1-O 3.29Å; L1151-I1162 HydrophobicContact CD1-CB 4.11Å; L1151-I1162 HydrophobicContact CD1-CD1 4.04Å; L1151-I1162 HydrophobicContact CD1-CG1 4Å; L1151-I1162 HydrophobicContact CD2-CB 4.22Å; L1151-I1162 HydrophobicContact CD2-CD1 4.31Å; L1151-Y1168 HydrophobicContact CB-CE2 4.4Å; L1151-Y1168 HydrophobicContact CD2-CD2 3.56Å; L1151-Y1168 HydrophobicContact CD2-CE2 3.47Å; L1151-Y1168 VanDerWaalsContact CD2-CE2 3.47Å
1152	R	97.1	Very high	94.7	Very high	124 Å²	124	45 Å²	45	47%	0.468	21%	0.214	S	C	.	.	H	α-helix	trans	-58.2	-46.8	170.8	179.2	176.7	-80.3	151.6	-2.8	110.6	I914 P1148 T1149 M1150 L1154 R1155 E1156	I914-R1152 HydrophobicContact CG2-CB 4.19Å; P1148-R1152 WeakPolarHBondContact O-CB 3.43Å; P1148-R1152 PolarHBondContact O-N 3.09Å; T1149-R1152 PolarHBondContact O-N 3.44Å; M1150-R1152 PolarHBondContact O-N 3.14Å; R1152-L1154 VanDerWaalsContact C-N 3.33Å; R1152-L1154 PolarHBondContact O-N 3.45Å; R1152-R1155 PolarHBondContact O-N 3.42Å; R1152-E1156 PolarHBondContact O-N 3.03Å
1153	F	96.8	Very high	95	Very high	92 Å²	92	44.5 Å²	44.5	40%	0.404	21%	0.209	S	C	.	.	H	α-helix	trans	-62.3	-35.8	178.4	-173.5	-105.6	0	0	0	113.4	K967 V968 T1149 M1150 L1151	K967-F1153 WeakPolarHBondContact O-CE1 3.39Å; V968-F1153 HydrophobicContact CB-CE1 4.13Å; V968-F1153 HydrophobicContact CG1-CD1 4.08Å; V968-F1153 HydrophobicContact CG1-CE1 3.85Å; V968-F1153 HydrophobicContact CG2-CD1 4.27Å; V968-F1153 HydrophobicContact CG2-CE1 3.96Å; T1149-F1153 PolarHBondContact O-N 3.31Å; M1150-F1153 WeakPolarHBondContact O-CB 2.97Å; M1150-F1153 PolarHBondContact O-N 2.92Å; M1150-F1153 HydrophobicContact SD-CD1 4.42Å; L1151-F1153 VanDerWaalsContact C-N 3.33Å; L1151-F1153 PolarHBondContact O-N 3.45Å
1154	L	98.2	Very high	95.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-67	-39	170.8	-66.5	176.6	0	0	0	112.1	I966 V968 I1130 L1131 L1134 M1150 L1151 R1152 Q1157 R1158 M1161	I966-L1154 HydrophobicContact CG2-CD2 3.58Å; V968-L1154 HydrophobicContact CG2-CD2 4.22Å; I1130-L1154 HydrophobicContact CG2-CD1 4.08Å; I1130-L1154 HydrophobicContact CG2-CD2 3.69Å; L1131-L1154 HydrophobicContact CB-CD1 3.9Å; L1131-L1154 HydrophobicContact CD1-CD1 3.96Å; L1131-L1154 HydrophobicContact CG-CD1 4.48Å; L1134-L1154 HydrophobicContact CD1-CD2 4.03Å; M1150-L1154 WeakPolarHBondContact O-CG 3.49Å; M1150-L1154 PolarHBondContact O-N 3.31Å; L1151-L1154 PolarHBondContact O-N 2.74Å; R1152-L1154 VanDerWaalsContact C-N 3.33Å; R1152-L1154 PolarHBondContact O-N 3.45Å; L1154-Q1157 CarbonylContact O-C 3.59Å; L1154-Q1157 PolarHBondContact O-N 2.84Å; L1154-Q1157 VanDerWaalsContact O-N 3.12Å; L1154-R1158 PolarHBondContact O-N 2.88Å; L1154-M1161 HydrophobicContact CB-CB 4.37Å; L1154-M1161 HydrophobicContact CB-CE 4.34Å; L1154-M1161 HydrophobicContact CD1-CE 4.43Å
1155	R	98.1	Very high	95.7	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-71.9	-27	179.7	-73.9	-176	177.2	-177.6	-5.6	114.3	Y911 I914 P915 N916 Y943 L1151 R1152 Q1157 R1158 M1161 I1162	Y911-R1155 VanDerWaalsContact CE2-NH2 3.29Å; Y911-R1155 PolarHBondContact OH-NH2 2.92Å; I914-R1155 PolarHBondContact O-NH1 2.79Å; P915-R1155 WeakPolarHBondContact O-CD 3.4Å; P915-R1155 PolarHBondContact O-NH1 3.43Å; N916-R1155 PolarHBondContact OD1-NH1 2.94Å; N916-R1155 PolarHBondContact OD1-NH2 3.03Å; Y943-R1155 WeakPolarHBondContact CE2-O 3.42Å; Y943-R1155 PolarHBondContact OH-O 2.81Å; L1151-R1155 HydrophobicContact CD1-CG 4.34Å; L1151-R1155 WeakPolarHBondContact O-CG 3.26Å; L1151-R1155 PolarHBondContact O-N 2.96Å; R1152-R1155 PolarHBondContact O-N 3.42Å; R1155-Q1157 PolarHBondContact O-N 2.86Å; R1155-R1158 WeakPolarHBondContact CA-O 3.33Å; R1155-R1158 CarbonylContact O-C 3.59Å; R1155-M1161 HydrophobicContact CG-CB 3.96Å; R1155-M1161 PolarHBondContact NE-O 3.21Å; R1155-M1161 PolarHBondContact NH2-O 2.91Å; R1155-I1162 PolarHBondContact NH2-O 2.55Å
1156	E	97.4	Very high	96.2	Very high	69 Å²	69	38.9 Å²	38.9	32%	0.322	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-19	168.2	-72	-60.4	128.3	0	0	113	K918 Y943 R1152	K918-E1156 WeakPolarHBondContact CA-OE1 3.44Å; K918-E1156 WeakPolarHBondContact CD-OE2 3.33Å; K918-E1156 WeakPolarHBondContact CG-OE2 3.39Å; Y943-E1156 VanDerWaalsContact CE2-O 3.3Å; Y943-E1156 WeakPolarHBondContact CE2-O 3.43Å; R1152-E1156 PolarHBondContact O-N 3.03Å
1157	Q	98	Very high	96.5	Very high	29 Å²	29	36.5 Å²	36.5	14%	0.136	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-26.7	177.1	-66.5	-174.2	69.4	0	0	113.9	Y943 N946 I966 K967 L1154 R1155	Y943-Q1157 WeakPolarHBondContact CD2-O 3.39Å; N946-Q1157 PolarHBondContact ND2-O 3.5Å; N946-Q1157 PolarHBondContact OD1-O 2.83Å; I966-Q1157 HydrophobicContact CD1-CB 3.81Å; K967-Q1157 PolarHBondContact O-NE2 2.99Å; K967-Q1157 PolarHBondContact O-OE1 2.75Å; L1154-Q1157 CarbonylContact O-C 3.59Å; L1154-Q1157 PolarHBondContact O-N 2.84Å; L1154-Q1157 VanDerWaalsContact O-N 3.12Å; R1155-Q1157 PolarHBondContact O-N 2.86Å
1158	R	98.3	Very high	96.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-149.6	123.1	166.8	-172.4	173.1	176	76.1	4	110.3	N962 S964 I966 A1121 G1122 V1123 L1154 R1155 M1161	N962-R1158 PolarHBondContact OD1-NH1 3.1Å; N962-R1158 PolarHBondContact OD1-NH2 3Å; S964-R1158 WeakPolarHBondContact OG-CD 3.24Å; S964-R1158 WeakPolarHBondContact OG-CG 3.18Å; S964-R1158 PolarHBondContact OG-NH1 2.83Å; I966-R1158 HydrophobicContact CD1-CB 3.79Å; A1121-R1158 PolarHBondContact O-NH2 3.46Å; G1122-R1158 PolarHBondContact O-NE 3.14Å; V1123-R1158 HydrophobicContact CG1-CG 3.87Å; V1123-R1158 VanDerWaalsContact CG1-NE 3.29Å; L1154-R1158 PolarHBondContact O-N 2.88Å; R1155-R1158 WeakPolarHBondContact CA-O 3.33Å; R1155-R1158 CarbonylContact O-C 3.59Å; R1158-M1161 HydrophobicContact CB-CG 4.03Å; R1158-M1161 HydrophobicContact CB-SD 4.43Å; R1158-M1161 WeakPolarHBondContact O-CG 3.46Å
1159	M	97.6	Very high	96.5	Very high	7 Å²	7	39.3 Å²	39.3	3%	0.034	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	150.3	178.6	57	179.6	73.4	0	0	113.2	K917 V941 Y943 V1123 M1161	K917-M1159 HydrophobicContact CB-CB 3.73Å; V941-M1159 HydrophobicContact CG2-CE 3.59Å; V941-M1159 HydrophobicContact CG2-SD 3.96Å; V941-M1159 PolarHBondContact N-SD 2.96Å; V941-M1159 WeakPolarHBondContact O-CE 3.45Å; V941-M1159 WeakPolarHBondContact O-CG 3.38Å; Y943-M1159 HydrophobicContact CD1-CE 4.05Å; Y943-M1159 HydrophobicContact CE1-CB 4.38Å; Y943-M1159 HydrophobicContact CE1-CE 3.71Å; Y943-M1159 PolarHBondContact OH-N 3.49Å; V1123-M1159 WeakPolarHBondContact CG1-O 3.31Å; M1159-M1161 PolarHBondContact O-N 3.18Å; M1159-M1161 VanDerWaalsContact O-N 3.11Å
1160	F	97.6	Very high	96.6	Very high	58 Å²	58	35.9 Å²	35.9	25%	0.254	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	19.7	174.2	-52.2	-75.7	0	0	0	116.4	N916 E939 V940 V1123 I1162 Q1163	N916-F1160 HydrophobicContact CB-CD1 3.77Å; N916-F1160 HydrophobicContact CB-CE1 3.7Å; N916-F1160 PolarHBondContact O-N 2.73Å; E939-F1160 WeakPolarHBondContact O-CE2 3.47Å; V940-F1160 HydrophobicContact CG2-CD2 4.11Å; V1123-F1160 WeakPolarHBondContact CB-O 3.41Å; V1123-F1160 HydrophobicContact CG2-CB 4.18Å; F1160-I1162 CarbonylContact O-C 3.6Å; F1160-I1162 PolarHBondContact O-N 2.97Å; F1160-Q1163 HydrophobicContact CB-CG 4.37Å; F1160-Q1163 WeakPolarHBondContact O-CG 3.44Å
1161	M	98.1	Very high	96.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-54.4	127.3	170.1	-72.1	-76.6	-85	0	0	109.5	V1123 T1126 I1130 L1151 L1154 R1155 R1158 M1159	V1123-M1161 HydrophobicContact CB-SD 4.35Å; V1123-M1161 HydrophobicContact CG1-SD 4.45Å; V1123-M1161 WeakPolarHBondContact O-CA 3.34Å; T1126-M1161 HydrophobicContact CG2-SD 4.43Å; I1130-M1161 HydrophobicContact CB-CE 4.39Å; I1130-M1161 HydrophobicContact CD1-CE 4.09Å; L1151-M1161 HydrophobicContact CD1-CB 4.28Å; L1151-M1161 WeakPolarHBondContact CD1-O 3.29Å; L1154-M1161 HydrophobicContact CB-CB 4.37Å; L1154-M1161 HydrophobicContact CB-CE 4.34Å; L1154-M1161 HydrophobicContact CD1-CE 4.43Å; R1155-M1161 HydrophobicContact CG-CB 3.96Å; R1155-M1161 PolarHBondContact NE-O 3.21Å; R1155-M1161 PolarHBondContact NH2-O 2.91Å; R1158-M1161 HydrophobicContact CB-CG 4.03Å; R1158-M1161 HydrophobicContact CB-SD 4.43Å; R1158-M1161 WeakPolarHBondContact O-CG 3.46Å; M1159-M1161 PolarHBondContact O-N 3.18Å; M1159-M1161 VanDerWaalsContact O-N 3.11Å
1162	I	97.7	Very high	96.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	55.5	106.1	-164.4	-57.3	-172.5	0	0	0	112.1	Y911 V1123 V1128 L1131 L1151 R1155 F1160 Q1167 Y1168 V1171	Y911-I1162 HydrophobicContact CE2-CG2 3.9Å; Y911-I1162 PolarHBondContact OH-O 2.6Å; V1123-I1162 PolarHBondContact O-N 3.37Å; V1128-I1162 HydrophobicContact CG2-CD1 4.25Å; V1128-I1162 HydrophobicContact CG2-CG1 4.14Å; L1131-I1162 HydrophobicContact CB-CD1 4.15Å; L1131-I1162 HydrophobicContact CD2-CD1 3.46Å; L1131-I1162 VanDerWaalsContact CD2-CD1 3.46Å; L1131-I1162 HydrophobicContact CG-CD1 4.45Å; L1151-I1162 HydrophobicContact CD1-CB 4.11Å; L1151-I1162 HydrophobicContact CD1-CD1 4.04Å; L1151-I1162 HydrophobicContact CD1-CG1 4Å; L1151-I1162 HydrophobicContact CD2-CB 4.22Å; L1151-I1162 HydrophobicContact CD2-CD1 4.31Å; R1155-I1162 PolarHBondContact NH2-O 2.55Å; F1160-I1162 CarbonylContact O-C 3.6Å; F1160-I1162 PolarHBondContact O-N 2.97Å; I1162-Q1167 HydrophobicContact CG2-CB 3.71Å; I1162-Y1168 HydrophobicContact CD1-CD2 4.3Å; I1162-Y1168 HydrophobicContact CG2-CD2 4.4Å; I1162-V1171 HydrophobicContact CD1-CG2 3.82Å
1163	Q	94	Very high	96.3	Very high	87 Å²	87	32.3 Å²	32.3	41%	0.407	16%	0.16	S	C	.	.			trans	-95.4	-12.7	-170.1	-78.1	-171.6	-30.8	0	0	115.4	Y911 V1123 F1160	Y911-Q1163 PolarHBondContact OH-O 3.08Å; V1123-Q1163 HydrophobicContact CG2-CG 3.98Å; F1160-Q1163 HydrophobicContact CB-CG 4.37Å; F1160-Q1163 WeakPolarHBondContact O-CG 3.44Å
1164	T	94.3	Very high	96.3	Very high	57 Å²	57	28 Å²	28	35%	0.35	14%	0.14	S	C	.	.	S	Bend	trans	-140.3	152.5	-178.8	70.6	0	0	0	0	112	Y911 A1166 Q1167 Y1168	Y911-T1164 PolarHBondContact OH-N 3.2Å; T1164-A1166 PolarHBondContact O-N 3.33Å; T1164-Q1167 WeakPolarHBondContact O-CB 3.32Å; T1164-Q1167 PolarHBondContact O-N 3.41Å; T1164-Q1167 WeakPolarHBondContact OG1-CG 3.5Å; T1164-Q1167 PolarHBondContact OG1-N 2.71Å; T1164-Y1168 PolarHBondContact O-N 2.87Å
1165	I	93.7	Very high	96.2	Very high	55 Å²	55	28 Å²	28	28%	0.282	14%	0.14	S	C	.	.	H	α-helix	trans	-57.1	-32.5	171	-178.6	57.8	0	0	0	112.3	V907 F908 Y911 Q1167 Y1168 K1169	V907-I1165 HydrophobicContact CG2-CD1 4.48Å; V907-I1165 VanDerWaalsContact O-CD1 3.29Å; V907-I1165 WeakPolarHBondContact O-CD1 3.49Å; F908-I1165 HydrophobicContact CB-CD1 4.38Å; F908-I1165 HydrophobicContact CD2-CB 4.48Å; F908-I1165 HydrophobicContact CD2-CG1 4.13Å; Y911-I1165 HydrophobicContact CD1-CB 4.36Å; Y911-I1165 HydrophobicContact CG-CD1 4.31Å; I1165-Q1167 VanDerWaalsContact C-N 3.34Å; I1165-Q1167 PolarHBondContact O-N 3.1Å; I1165-Y1168 HydrophobicContact CD1-CD1 4.33Å; I1165-Y1168 PolarHBondContact O-N 3.34Å; I1165-K1169 VanDerWaalsContact O-CB 3.23Å; I1165-K1169 WeakPolarHBondContact O-CB 3.4Å; I1165-K1169 PolarHBondContact O-N 2.81Å
1166	A	93.9	Very high	96	Very high	40 Å²	40	28.4 Å²	28.4	33%	0.331	14%	0.143	S	C	.	.	H	α-helix	trans	-63	-40	174.4	0	0	0	0	0	112	C1080 T1164 F1170	C1080-A1166 PolarHBondContact SG-O 3.28Å; T1164-A1166 PolarHBondContact O-N 3.33Å; A1166-F1170 VanDerWaalsContact O-CB 3.29Å; A1166-F1170 WeakPolarHBondContact O-CB 3.32Å; A1166-F1170 PolarHBondContact O-N 3.35Å
1167	Q	95.9	Very high	95.8	Very high	20 Å²	20	27.9 Å²	27.9	9%	0.093	14%	0.141	C	C	.	.	H	α-helix	trans	-67.2	-39.8	174.9	-72.9	166.7	14.4	0	0	111.6	W1075 C1080 G1124 V1128 I1162 T1164 I1165 F1170 V1171	W1075-Q1167 HydrophobicContact CZ2-CG 4.15Å; C1080-Q1167 VanDerWaalsContact SG-CA 3.58Å; G1124-Q1167 VanDerWaalsContact CA-OE1 3.23Å; V1128-Q1167 HydrophobicContact CG2-CB 3.68Å; V1128-Q1167 HydrophobicContact CG2-CG 4.15Å; I1162-Q1167 HydrophobicContact CG2-CB 3.71Å; T1164-Q1167 WeakPolarHBondContact O-CB 3.32Å; T1164-Q1167 PolarHBondContact O-N 3.41Å; T1164-Q1167 WeakPolarHBondContact OG1-CG 3.5Å; T1164-Q1167 PolarHBondContact OG1-N 2.71Å; I1165-Q1167 VanDerWaalsContact C-N 3.34Å; I1165-Q1167 PolarHBondContact O-N 3.1Å; Q1167-F1170 PolarHBondContact O-N 2.71Å; Q1167-V1171 PolarHBondContact O-N 2.95Å; Q1167-V1171 VanDerWaalsContact O-N 3.17Å
1168	Y	95.9	Very high	95.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-68	-44.1	176.7	-166.3	-114.7	0	0	0	112.5	V907 E910 Y911 I914 L1131 V1147 P1148 L1151 I1162 T1164 I1165 F1170 V1171 Y1172	V907-Y1168 HydrophobicContact CB-CD1 4.44Å; E910-Y1168 VanDerWaalsContact OE1-CE1 3.31Å; E910-Y1168 WeakPolarHBondContact OE1-CE1 3.38Å; E910-Y1168 PolarHBondContact OE1-OH 3.39Å; Y911-Y1168 AromaticContact CD2-CD1 3.98Å; Y911-Y1168 HydrophobicContact CD2-CD1 3.98Å; Y911-Y1168 AromaticContact CD2-CD2 3.95Å; Y911-Y1168 HydrophobicContact CD2-CD2 3.95Å; Y911-Y1168 AromaticContact CD2-CG 3.57Å; Y911-Y1168 HydrophobicContact CD2-CG 3.57Å; Y911-Y1168 HydrophobicContact CE2-CG 4.39Å; Y911-Y1168 HydrophobicContact CG-CD1 4.27Å; Y911-Y1168 HydrophobicContact CG-CG 4.27Å; I914-Y1168 HydrophobicContact CD1-CE2 4.41Å; L1131-Y1168 HydrophobicContact CD2-CE2 4.38Å; V1147-Y1168 HydrophobicContact CG1-CE2 3.78Å; P1148-Y1168 WeakPolarHBondContact CA-OH 3.3Å; P1148-Y1168 WeakPolarHBondContact CD-OH 3.48Å; L1151-Y1168 HydrophobicContact CB-CE2 4.4Å; L1151-Y1168 HydrophobicContact CD2-CD2 3.56Å; L1151-Y1168 HydrophobicContact CD2-CE2 3.47Å; L1151-Y1168 VanDerWaalsContact CD2-CE2 3.47Å; I1162-Y1168 HydrophobicContact CD1-CD2 4.3Å; I1162-Y1168 HydrophobicContact CG2-CD2 4.4Å; T1164-Y1168 PolarHBondContact O-N 2.87Å; I1165-Y1168 HydrophobicContact CD1-CD1 4.33Å; I1165-Y1168 PolarHBondContact O-N 3.34Å; Y1168-F1170 VanDerWaalsContact C-N 3.28Å; Y1168-F1170 PolarHBondContact O-N 3.48Å; Y1168-V1171 WeakPolarHBondContact O-CB 3.19Å; Y1168-V1171 PolarHBondContact O-N 3.11Å; Y1168-Y1172 HydrophobicContact CD1-CE2 4.41Å; Y1168-Y1172 HydrophobicContact CE1-CD2 4.26Å; Y1168-Y1172 AromaticContact CE1-CE2 3.74Å; Y1168-Y1172 HydrophobicContact CE1-CE2 3.74Å; Y1168-Y1172 AromaticContact CZ-CE2 3.85Å; Y1168-Y1172 PolarHBondContact O-N 3.08Å
1169	K	94.3	Very high	95.2	Very high	88 Å²	88	28 Å²	28	38%	0.383	14%	0.141	S	C	.	.	H	α-helix	trans	-60.2	-38.3	173.7	-168.5	176	-178.2	173.2	0	111.6	L902 I1165 Y1172 Q1173	L902-K1169 HydrophobicContact CD1-CD 4.08Å; L902-K1169 VanDerWaalsContact CD1-CE 3.45Å; L902-K1169 HydrophobicContact CD1-CG 3.42Å; L902-K1169 VanDerWaalsContact CD1-CG 3.42Å; I1165-K1169 VanDerWaalsContact O-CB 3.23Å; I1165-K1169 WeakPolarHBondContact O-CB 3.4Å; I1165-K1169 PolarHBondContact O-N 2.81Å; K1169-Y1172 WeakPolarHBondContact O-CB 3.3Å; K1169-Y1172 PolarHBondContact O-N 2.94Å; K1169-Q1173 WeakPolarHBondContact O-CG 3.31Å; K1169-Q1173 PolarHBondContact O-N 2.83Å; K1169-Q1173 PolarHBondContact O-OE1 2.71Å
1170	F	96.3	Very high	94.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.8	-36.8	176.1	-175.4	-101	0	0	0	112.7	W1075 C1080 P1081 V1084 F1087 V1128 A1166 Q1167 Y1168 Y1172 Q1173 V1174	W1075-F1170 HydrophobicContact CH2-CD1 4.46Å; C1080-F1170 HydrophobicContact CB-CB 3.77Å; C1080-F1170 HydrophobicContact CB-CD1 4.42Å; C1080-F1170 HydrophobicContact CB-CD2 3.71Å; C1080-F1170 HydrophobicContact CB-CE2 4.4Å; C1080-F1170 HydrophobicContact CB-CG 3.71Å; P1081-F1170 HydrophobicContact CB-CE2 4.01Å; P1081-F1170 HydrophobicContact CB-CZ 3.93Å; P1081-F1170 HydrophobicContact CG-CE1 4.36Å; P1081-F1170 HydrophobicContact CG-CE2 4.22Å; P1081-F1170 HydrophobicContact CG-CZ 3.8Å; P1081-F1170 VanDerWaalsContact O-CE2 3.25Å; P1081-F1170 WeakPolarHBondContact O-CE2 3.26Å; V1084-F1170 HydrophobicContact CG2-CE2 4.01Å; F1087-F1170 HydrophobicContact CB-CE1 4.23Å; F1087-F1170 HydrophobicContact CB-CZ 3.85Å; F1087-F1170 AromaticContact CD1-CE1 3.66Å; F1087-F1170 HydrophobicContact CD1-CE1 3.66Å; F1087-F1170 HydrophobicContact CD1-CZ 4.1Å; F1087-F1170 HydrophobicContact CD2-CE1 4.11Å; F1087-F1170 HydrophobicContact CD2-CZ 4.43Å; F1087-F1170 AromaticContact CE1-CE1 3.96Å; F1087-F1170 HydrophobicContact CE1-CE1 3.96Å; F1087-F1170 HydrophobicContact CE2-CE1 4.4Å; F1087-F1170 AromaticContact CG-CE1 3.72Å; F1087-F1170 HydrophobicContact CG-CE1 3.72Å; F1087-F1170 AromaticContact CG-CZ 3.87Å; F1087-F1170 HydrophobicContact CG-CZ 3.87Å; F1087-F1170 HydrophobicContact CZ-CE1 4.33Å; V1128-F1170 HydrophobicContact CG1-CD1 3.87Å; V1128-F1170 HydrophobicContact CG1-CE1 4.3Å; A1166-F1170 VanDerWaalsContact O-CB 3.29Å; A1166-F1170 WeakPolarHBondContact O-CB 3.32Å; A1166-F1170 PolarHBondContact O-N 3.35Å; Q1167-F1170 PolarHBondContact O-N 2.71Å; Y1168-F1170 VanDerWaalsContact C-N 3.28Å; Y1168-F1170 PolarHBondContact O-N 3.48Å; F1170-Y1172 VanDerWaalsContact C-N 3.31Å; F1170-Y1172 PolarHBondContact O-N 3.1Å; F1170-Q1173 PolarHBondContact O-N 3.06Å; F1170-Q1173 VanDerWaalsContact O-N 3.13Å; F1170-V1174 HydrophobicContact CD1-CG2 3.92Å; F1170-V1174 HydrophobicContact CE1-CG2 3.57Å; F1170-V1174 HydrophobicContact CE2-CG2 4.4Å; F1170-V1174 HydrophobicContact CG-CG2 4.48Å; F1170-V1174 HydrophobicContact CZ-CG2 3.84Å; F1170-V1174 VanDerWaalsContact O-CG2 3.3Å; F1170-V1174 WeakPolarHBondContact O-CG2 3.5Å; F1170-V1174 PolarHBondContact O-N 2.87Å
1171	V	97.1	Very high	94.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.1	-44.5	170.1	174.4	0	0	0	0	110.7	V1128 L1131 V1147 I1162 Q1167 Y1168 Q1173 V1174 L1175	V1128-V1171 HydrophobicContact CB-CG2 4.22Å; V1128-V1171 HydrophobicContact CG1-CG2 3.81Å; V1128-V1171 HydrophobicContact CG2-CG2 4.19Å; L1131-V1171 HydrophobicContact CD2-CG1 4.05Å; L1131-V1171 HydrophobicContact CD2-CG2 4.33Å; L1131-V1171 HydrophobicContact CG-CG1 4.09Å; V1147-V1171 HydrophobicContact CG1-CG1 4.28Å; I1162-V1171 HydrophobicContact CD1-CG2 3.82Å; Q1167-V1171 PolarHBondContact O-N 2.95Å; Q1167-V1171 VanDerWaalsContact O-N 3.17Å; Y1168-V1171 WeakPolarHBondContact O-CB 3.19Å; Y1168-V1171 PolarHBondContact O-N 3.11Å; V1171-Q1173 VanDerWaalsContact C-N 3.34Å; V1171-Q1173 PolarHBondContact O-N 3.15Å; V1171-V1174 PolarHBondContact O-N 2.96Å; V1171-L1175 HydrophobicContact CG1-CD1 3.9Å; V1171-L1175 HydrophobicContact CG1-CG 4.35Å; V1171-L1175 VanDerWaalsContact O-CG 3.29Å; V1171-L1175 WeakPolarHBondContact O-CG 3.35Å; V1171-L1175 PolarHBondContact O-N 2.77Å
1172	Y	95.3	Very high	93.3	Very high	3 Å²	3	31.3 Å²	31.3	1%	0.012	16%	0.163	C	C	.	.	H	α-helix	trans	-60.5	-40.8	174	-90.4	-92.4	0	0	0	112.8	L898 K901 V907 E910 V1147 Y1168 K1169 F1170 L1175 V1176	L898-Y1172 HydrophobicContact CD2-CD1 3.94Å; L898-Y1172 HydrophobicContact CD2-CE1 3.58Å; K901-Y1172 HydrophobicContact CB-CE1 4.1Å; K901-Y1172 HydrophobicContact CD-CE1 4.04Å; V907-Y1172 HydrophobicContact CG1-CD1 4.24Å; V907-Y1172 HydrophobicContact CG1-CD2 3.79Å; V907-Y1172 HydrophobicContact CG1-CE1 4.31Å; V907-Y1172 HydrophobicContact CG1-CE2 3.88Å; V907-Y1172 HydrophobicContact CG1-CG 3.99Å; E910-Y1172 PolarHBondContact OE1-OH 2.86Å; E910-Y1172 VanDerWaalsContact OE1-OH 3.11Å; V1147-Y1172 HydrophobicContact CB-CE2 3.92Å; V1147-Y1172 HydrophobicContact CG1-CD2 4.42Å; V1147-Y1172 HydrophobicContact CG1-CE2 3.8Å; V1147-Y1172 HydrophobicContact CG2-CE1 4.39Å; V1147-Y1172 HydrophobicContact CG2-CE2 4.07Å; Y1168-Y1172 HydrophobicContact CD1-CE2 4.41Å; Y1168-Y1172 HydrophobicContact CE1-CD2 4.26Å; Y1168-Y1172 AromaticContact CE1-CE2 3.74Å; Y1168-Y1172 HydrophobicContact CE1-CE2 3.74Å; Y1168-Y1172 AromaticContact CZ-CE2 3.85Å; Y1168-Y1172 PolarHBondContact O-N 3.08Å; K1169-Y1172 WeakPolarHBondContact O-CB 3.3Å; K1169-Y1172 PolarHBondContact O-N 2.94Å; F1170-Y1172 VanDerWaalsContact C-N 3.31Å; F1170-Y1172 PolarHBondContact O-N 3.1Å; Y1172-L1175 PolarHBondContact O-N 3.34Å; Y1172-V1176 WeakPolarHBondContact O-CB 3.44Å; Y1172-V1176 VanDerWaalsContact O-CG2 3.27Å; Y1172-V1176 WeakPolarHBondContact O-CG2 3.41Å; Y1172-V1176 PolarHBondContact O-N 2.82Å
1173	Q	95.1	Very high	91.5	Very high	72 Å²	72	35.2 Å²	35.2	34%	0.336	18%	0.178	S	C	.	.	H	α-helix	trans	-64	-42.2	175.3	-68.5	169.9	-86.5	0	0	112.1	L902 V1084 K1169 F1170 V1171 V1176 Q1177	L902-Q1173 HydrophobicContact CD1-CG 4.47Å; L902-Q1173 HydrophobicContact CD2-CG 4.03Å; V1084-Q1173 HydrophobicContact CG2-CB 4.38Å; K1169-Q1173 WeakPolarHBondContact O-CG 3.31Å; K1169-Q1173 PolarHBondContact O-N 2.83Å; K1169-Q1173 PolarHBondContact O-OE1 2.71Å; F1170-Q1173 PolarHBondContact O-N 3.06Å; F1170-Q1173 VanDerWaalsContact O-N 3.13Å; V1171-Q1173 VanDerWaalsContact C-N 3.34Å; V1171-Q1173 PolarHBondContact O-N 3.15Å; Q1173-V1176 PolarHBondContact O-N 2.91Å; Q1173-Q1177 WeakPolarHBondContact O-CB 3.21Å; Q1173-Q1177 PolarHBondContact O-N 2.84Å
1174	V	96.4	Very high	88.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-44.1	175.2	170.9	0	0	0	0	111.3	V1084 F1087 L1088 L1091 I1136 F1170 V1171 Q1177 F1178	V1084-V1174 HydrophobicContact CG1-CB 4.39Å; V1084-V1174 HydrophobicContact CG1-CG2 3.9Å; F1087-V1174 HydrophobicContact CD1-CG1 4.23Å; F1087-V1174 HydrophobicContact CD1-CG2 3.6Å; F1087-V1174 HydrophobicContact CE1-CG1 4.44Å; F1087-V1174 HydrophobicContact CE1-CG2 4.05Å; L1088-V1174 HydrophobicContact CD2-CG1 3.65Å; L1088-V1174 HydrophobicContact CG-CG1 4.24Å; L1091-V1174 HydrophobicContact CD1-CG1 4.33Å; I1136-V1174 HydrophobicContact CD1-CG1 4.27Å; F1170-V1174 HydrophobicContact CD1-CG2 3.92Å; F1170-V1174 HydrophobicContact CE1-CG2 3.57Å; F1170-V1174 HydrophobicContact CE2-CG2 4.4Å; F1170-V1174 HydrophobicContact CG-CG2 4.48Å; F1170-V1174 HydrophobicContact CZ-CG2 3.84Å; F1170-V1174 VanDerWaalsContact O-CG2 3.3Å; F1170-V1174 WeakPolarHBondContact O-CG2 3.5Å; F1170-V1174 PolarHBondContact O-N 2.87Å; V1171-V1174 PolarHBondContact O-N 2.96Å; V1174-Q1177 PolarHBondContact O-N 3.07Å; V1174-F1178 VanDerWaalsContact O-CB 3.28Å; V1174-F1178 WeakPolarHBondContact O-CB 3.45Å; V1174-F1178 PolarHBondContact O-N 2.63Å
1175	L	95.3	Very high	86	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-69.8	-36.5	178.4	-64.8	170.4	0	0	0	112.8	L898 M1135 I1136 L1139 V1147 V1171 Y1172 L1179	L898-L1175 HydrophobicContact CD1-CB 4.21Å; M1135-L1175 HydrophobicContact CB-CD1 3.71Å; M1135-L1175 HydrophobicContact CB-CD2 3.53Å; M1135-L1175 HydrophobicContact CB-CG 4.25Å; M1135-L1175 HydrophobicContact CG-CD1 4.3Å; I1136-L1175 HydrophobicContact CG1-CD2 3.86Å; L1139-L1175 HydrophobicContact CD1-CB 4.07Å; L1139-L1175 HydrophobicContact CD1-CD2 3.55Å; L1139-L1175 HydrophobicContact CD1-CG 4.35Å; V1147-L1175 HydrophobicContact CG2-CD1 3.85Å; V1171-L1175 HydrophobicContact CG1-CD1 3.9Å; V1171-L1175 HydrophobicContact CG1-CG 4.35Å; V1171-L1175 VanDerWaalsContact O-CG 3.29Å; V1171-L1175 WeakPolarHBondContact O-CG 3.35Å; V1171-L1175 PolarHBondContact O-N 2.77Å; Y1172-L1175 PolarHBondContact O-N 3.34Å; L1175-L1179 PolarHBondContact O-N 3.47Å; L1175-L1179 VanDerWaalsContact O-N 3.09Å
1176	V	93.3	Very high	85.6	Confident	11 Å²	11	36 Å²	36	7%	0.067	18%	0.181	C	C	.	.	H	α-helix	trans	-67.2	-43.8	173.9	163.8	0	0	0	0	111.1	L895 L898 K899 Y1172 Q1173 Q1180	L895-V1176 HydrophobicContact CD1-CB 4.43Å; L895-V1176 HydrophobicContact CD1-CG1 4.08Å; L895-V1176 HydrophobicContact CD1-CG2 4.42Å; L898-V1176 HydrophobicContact CB-CG2 3.73Å; K899-V1176 HydrophobicContact CD-CG1 4.34Å; K899-V1176 VanDerWaalsContact CE-CG1 3.44Å; K899-V1176 HydrophobicContact CG-CG1 3.88Å; K899-V1176 HydrophobicContact CG-CG2 4.06Å; Y1172-V1176 WeakPolarHBondContact O-CB 3.44Å; Y1172-V1176 VanDerWaalsContact O-CG2 3.27Å; Y1172-V1176 WeakPolarHBondContact O-CG2 3.41Å; Y1172-V1176 PolarHBondContact O-N 2.82Å; Q1173-V1176 PolarHBondContact O-N 2.91Å; V1176-Q1180 VanDerWaalsContact CG1-OE1 3.31Å; V1176-Q1180 WeakPolarHBondContact O-CG 3.31Å; V1176-Q1180 PolarHBondContact O-N 3.26Å
1177	Q	93.6	Very high	85.1	Confident	58 Å²	58	35.7 Å²	35.7	27%	0.271	17%	0.173	S	C	.	.	H	α-helix	trans	-67.6	-41.4	176.7	-172.3	62.1	49.1	0	0	111.4	V1084 L1088 Q1173 V1174 L1179 Q1180 N1181	V1084-Q1177 HydrophobicContact CB-CB 4.5Å; V1084-Q1177 HydrophobicContact CB-CG 4.46Å; V1084-Q1177 HydrophobicContact CG1-CB 3.64Å; V1084-Q1177 HydrophobicContact CG1-CG 4.01Å; L1088-Q1177 HydrophobicContact CD1-CB 4Å; L1088-Q1177 HydrophobicContact CD1-CG 3.73Å; Q1173-Q1177 WeakPolarHBondContact O-CB 3.21Å; Q1173-Q1177 PolarHBondContact O-N 2.84Å; V1174-Q1177 PolarHBondContact O-N 3.07Å; Q1177-L1179 PolarHBondContact O-N 2.95Å; Q1177-Q1180 CarbonylContact O-C 3.59Å; Q1177-Q1180 WeakPolarHBondContact O-CA 3.44Å; Q1177-Q1180 WeakPolarHBondContact O-CB 3.36Å; Q1177-Q1180 PolarHBondContact O-N 2.76Å; Q1177-N1181 PolarHBondContact NE2-OD1 3.43Å; Q1177-N1181 VanDerWaalsContact O-CG 3.27Å; Q1177-N1181 PolarHBondContact O-N 3.01Å; Q1177-N1181 PolarHBondContact O-OD1 2.81Å
1178	F	93.9	Very high	84.5	Confident	27 Å²	27	36.6 Å²	36.6	12%	0.118	18%	0.178	C	C	.	.	H	α-helix	trans	-54.6	-53.1	173.5	178.9	-99.7	0	0	0	111.1	L1088 I1136 L1139 E1140 V1174 Q1180 N1181 S1182	L1088-F1178 HydrophobicContact CD2-CB 4.02Å; L1088-F1178 HydrophobicContact CD2-CD2 4.22Å; I1136-F1178 HydrophobicContact CD1-CD2 4.21Å; I1136-F1178 HydrophobicContact CD1-CG 4.39Å; I1136-F1178 HydrophobicContact CG1-CB 4.36Å; I1136-F1178 HydrophobicContact CG1-CD1 4.29Å; I1136-F1178 HydrophobicContact CG1-CD2 4.18Å; I1136-F1178 HydrophobicContact CG1-CG 4Å; I1136-F1178 HydrophobicContact CG2-CD1 4.38Å; I1136-F1178 HydrophobicContact CG2-CD2 4.06Å; I1136-F1178 HydrophobicContact CG2-CE1 4.01Å; I1136-F1178 HydrophobicContact CG2-CE2 3.67Å; I1136-F1178 HydrophobicContact CG2-CG 4.4Å; I1136-F1178 HydrophobicContact CG2-CZ 3.65Å; L1139-F1178 HydrophobicContact CB-CD1 4.35Å; L1139-F1178 HydrophobicContact CB-CE1 4.15Å; L1139-F1178 HydrophobicContact CD1-CD1 4.02Å; E1140-F1178 HydrophobicContact CG-CE1 4.06Å; E1140-F1178 HydrophobicContact CG-CZ 3.68Å; V1174-F1178 VanDerWaalsContact O-CB 3.28Å; V1174-F1178 WeakPolarHBondContact O-CB 3.45Å; V1174-F1178 PolarHBondContact O-N 2.63Å; F1178-Q1180 PolarHBondContact O-N 2.82Å; F1178-N1181 CarbonylContact O-C 3.53Å; F1178-N1181 WeakPolarHBondContact O-CA 3.45Å; F1178-N1181 WeakPolarHBondContact O-CB 3.22Å; F1178-N1181 PolarHBondContact O-N 3.12Å; F1178-S1182 PolarHBondContact O-N 3.35Å; F1178-S1182 PolarHBondContact O-OG 3.11Å
1179	L	90.3	Very high	83.9	Confident	5 Å²	5	38.8 Å²	38.8	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-62.8	-27.2	176.1	-78.6	-170.7	0	0	0	114	I891 R894 L895 L898 L1139 L1175 Q1177 R1183	I891-L1179 HydrophobicContact CG2-CD2 4.05Å; R894-L1179 HydrophobicContact CB-CD1 4.36Å; L895-L1179 HydrophobicContact CB-CD1 3.91Å; L895-L1179 HydrophobicContact CD1-CB 3.92Å; L895-L1179 HydrophobicContact CD1-CD1 4.23Å; L898-L1179 HydrophobicContact CD1-CD1 4Å; L1139-L1179 HydrophobicContact CB-CD2 4.35Å; L1139-L1179 HydrophobicContact CD1-CD2 4.37Å; L1139-L1179 HydrophobicContact CD1-CG 4.12Å; L1139-L1179 HydrophobicContact CD2-CD1 3.92Å; L1139-L1179 HydrophobicContact CD2-CD2 3.99Å; L1139-L1179 HydrophobicContact CD2-CG 4.06Å; L1139-L1179 HydrophobicContact CG-CD2 4.49Å; L1175-L1179 PolarHBondContact O-N 3.47Å; L1175-L1179 VanDerWaalsContact O-N 3.09Å; Q1177-L1179 PolarHBondContact O-N 2.95Å; L1179-R1183 WeakPolarHBondContact O-CB 3.41Å; L1179-R1183 WeakPolarHBondContact O-CD 3.43Å; L1179-R1183 WeakPolarHBondContact O-CG 3.49Å; L1179-R1183 PolarHBondContact O-N 2.78Å
1180	Q	88.6	Confident	83.2	Confident	58 Å²	58	35.7 Å²	35.7	27%	0.271	18%	0.176	S	C	.	.	H	α-helix	trans	-73.7	-33.7	172.4	-76	178.8	-130.4	0	0	112	L895 V1176 Q1177 F1178 R1183 L1184	L895-Q1180 HydrophobicContact CD1-CG 4.37Å; L895-Q1180 HydrophobicContact CD2-CG 4.21Å; V1176-Q1180 VanDerWaalsContact CG1-OE1 3.31Å; V1176-Q1180 WeakPolarHBondContact O-CG 3.31Å; V1176-Q1180 PolarHBondContact O-N 3.26Å; Q1177-Q1180 CarbonylContact O-C 3.59Å; Q1177-Q1180 WeakPolarHBondContact O-CA 3.44Å; Q1177-Q1180 WeakPolarHBondContact O-CB 3.36Å; Q1177-Q1180 PolarHBondContact O-N 2.76Å; F1178-Q1180 PolarHBondContact O-N 2.82Å; Q1180-R1183 PolarHBondContact O-N 3.38Å; Q1180-L1184 WeakPolarHBondContact O-CG 3.23Å; Q1180-L1184 PolarHBondContact O-N 3.44Å
1181	N	87.4	Confident	82.4	Confident	32 Å²	32	38.1 Å²	38.1	17%	0.171	19%	0.188	C	C	.	.	H	α-helix	trans	-71.6	-42.4	173.1	-62.8	-1.3	0	0	0	111.2	Q1085 Q1177 F1178 R1183 L1184	Q1085-N1181 PolarHBondContact OE1-ND2 3.32Å; Q1177-N1181 PolarHBondContact NE2-OD1 3.43Å; Q1177-N1181 VanDerWaalsContact O-CG 3.27Å; Q1177-N1181 PolarHBondContact O-N 3.01Å; Q1177-N1181 PolarHBondContact O-OD1 2.81Å; F1178-N1181 CarbonylContact O-C 3.53Å; F1178-N1181 WeakPolarHBondContact O-CA 3.45Å; F1178-N1181 WeakPolarHBondContact O-CB 3.22Å; F1178-N1181 PolarHBondContact O-N 3.12Å; N1181-R1183 PolarHBondContact O-N 2.82Å; N1181-L1184 WeakPolarHBondContact O-CA 3.42Å; N1181-L1184 PolarHBondContact O-N 2.86Å
1182	S	77.3	Confident	81.3	Confident	44 Å²	44	40.8 Å²	40.8	31%	0.308	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-1.3	172	-45	0	0	0	0	114.2	F1178	F1178-S1182 PolarHBondContact O-N 3.35Å; F1178-S1182 PolarHBondContact O-OG 3.11Å
1183	R	59.6	Low	80.2	Confident	82 Å²	82	43.7 Å²	43.7	31%	0.309	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	5.4	170.2	-72.8	161.2	116.8	-121.4	8.6	112	L863 I891 D892 L1179 Q1180 N1181	L863-R1183 WeakPolarHBondContact CD2-O 3.3Å; L863-R1183 WeakPolarHBondContact CG-O 3.41Å; I891-R1183 HydrophobicContact CG2-CG 4.42Å; D892-R1183 IonicContact OD1-CZ 3.31Å; D892-R1183 IonicContact OD1-NE 3.45Å; D892-R1183 PolarHBondContact OD1-NE 3.4Å; D892-R1183 IonicContact OD1-NH2 2.8Å; D892-R1183 PolarHBondContact OD1-NH2 2.82Å; D892-R1183 IonicContact OD2-NH2 2.69Å; D892-R1183 PolarHBondContact OD2-NH2 3.22Å; L1179-R1183 WeakPolarHBondContact O-CB 3.41Å; L1179-R1183 WeakPolarHBondContact O-CD 3.43Å; L1179-R1183 WeakPolarHBondContact O-CG 3.49Å; L1179-R1183 PolarHBondContact O-N 2.78Å; Q1180-R1183 PolarHBondContact O-N 3.38Å; N1181-R1183 PolarHBondContact O-N 2.82Å
1184	L	38.8	Very low	79	Confident	86 Å²	86	41.3 Å²	41.3	45%	0.45	21%	0.206	S	C	.	.			trans	-114.4	18	172.7	-70.6	165.7	0	0	0	110.5	P862 A866 Q1180 N1181	P862-L1184 HydrophobicContact CB-CD2 4.01Å; A866-L1184 VanDerWaalsContact CB-O 3.24Å; A866-L1184 WeakPolarHBondContact CB-O 3.14Å; Q1180-L1184 WeakPolarHBondContact O-CG 3.23Å; Q1180-L1184 PolarHBondContact O-N 3.44Å; N1181-L1184 WeakPolarHBondContact O-CA 3.42Å; N1181-L1184 PolarHBondContact O-N 2.86Å
1185	I	33.6	Very low	77.4	Confident	93 Å²	93	45.1 Å²	45.1	48%	0.477	22%	0.224	S	C	.	.			trans	-127	0	177.1	-59.8	173.1	0	0	0	106.6	A866 L871	A866-I1185 WeakPolarHBondContact CB-OXT 3.36Å; L871-I1185 HydrophobicContact CB-CG2 3.86Å; L871-I1185 VanDerWaalsContact O-CG2 3.27Å; L871-I1185 WeakPolarHBondContact O-CG2 3.42Å

Retrieved 1,185 of 1,185 residues in 531.2 ms (Link to these results)

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