A0A3Q0KPZ8_SCHMA Loading...

Run and tbc1 domain containing, putative AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KPZ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,102 aa.

						>A0A3Q0KPZ8_SCHMA|A0A3Q0KPZ8
MMDKENTFFSFIPMNWKFNDNNLLRKRKELIHELKLNVKTLMEYASVCRSIPEDSTHVISFCTLVHECLRIGLKTSPFSFYQNISTYSLLHKISNQCETSLKIINKFENRFNEIENSHSNNSEKFNHHHHHPHHQNQQQQQSNFQKIFHYSENNKNKIDKENEKKFYSKLRFNNNSSNIEWIHFALVEKLLETIVQHICSRAKEFYSSDSIMANKCDVNVFLSLIRGPCAINYSSTIHKDSYWLNLHANELIERQRFTSITNQNQTVYSPLNVSQKIKSPIVYPENLNFIENKKIDKTIKRRIRNPSTLSDSSLTDNNVDSLYQTRKSTLLYGKNNVMLGDDQNSLGYFELISSTNDLLLKWTSNDLLLQASYGNVYHCHDNDNNNEYNIDQKMSNDSMYESNNPEVPDQYLNLQSSQLMKNNKRVDYGFHLGILSVSMKKIEYVHLHQDASSEYCIILIGFDGIPHPPIRLHGGFNAVYNFLICLDQGLQPNACLNPSTTELDKVIEKDQVKGTRSNENQKIKSKFWNLIDFRSKTNDTKNDDDHDGDISDHDDVNNKNGTNSIQSLNNEINDKKSKLTESLVIYNERFKNIGTKGVIFKVMHFEIPTNQQSDVFIEQDSKHVQVNSSTEPTDDNELRQTDTIDNQNNPISEEEASINPMNIIVTIKLQLVLRTFKAWFTYTHHMNNVRKLLSSLVIHSDVKCTSSFDQYEKLTKEKWNELFVNIPDKKNFDPRCIYECIYYGGCVSELRNEVWPYLLGVYNWTMSEEEKKTINENLKLHYNEKLKEWTKIKKIIRVMELNETKNTTLLSQVNNGQTADKLTPNSSCLIDYKESILKQFSHALDSVKKDVVRCDRNNCVYSKFDSHGDRNLATIERILLTYVWEYLDDEYTQGMCDIVAPLLALKLEHSNTTSSSSLRMNENPSINKQMDDNSKDLLNDIEIGTYTLFKYLMENHLKKLFAKETATFYMDQKFDYIKSLIQILDPQLIGHLQKFSDFTHFYFCYRWFLLYFKREFNYQDIFQIWEVILCAEHIVSKDFSLFIALALIQNYRDVISSNHMELTDILKFFNEIAEHHNVEDILNLARHFAKIVQKLTNKTNEN
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	35.8	Very low	35.6	Very low	230 Å²	230	166 Å²	166	100%	1.133	82%	0.816	S	S	*	*				0	75.4	0	-67.9	171.7	159.2	0	0	107.7
2	M	29.2	Very low	35.2	Very low	179 Å²	179	162.7 Å²	162.7	88%	0.882	80%	0.802	S	S	*	*			cis	60.8	88.9	29.7	-59.8	163.7	165.8	0	0	112.6
3	D	38.4	Very low	34.9	Very low	124 Å²	124	159.2 Å²	159.2	66%	0.663	80%	0.799	S	S	*	*				-168.2	129.3	104.2	-115.4	-1.8	0	0	0	113.8
4	K	38	Very low	34.3	Very low	152 Å²	152	160.5 Å²	160.5	66%	0.661	80%	0.804	S	S	*	*			trans	66.3	68.2	144.8	-62.7	157.2	-172.1	152.9	0	119.6	N6	K4-N6 HydrophobicContact CB-CB 4.39Å; K4-N6 PolarHBondContact O-N 3.48Å
5	E	39.5	Very low	33.9	Very low	200 Å²	200	157.1 Å²	157.1	94%	0.935	79%	0.79	S	S	*	*			trans	-63.3	82.9	135	-66	177.4	147.8	0	0	109.1
6	N	34.8	Very low	33.6	Very low	131 Å²	131	163.8 Å²	163.8	70%	0.701	80%	0.803	S	S	*	*			trans	-159.1	72.7	-178	-103.7	-35	0	0	0	112.7	K4	K4-N6 HydrophobicContact CB-CB 4.39Å; K4-N6 PolarHBondContact O-N 3.48Å
7	T	40.4	Very low	33.3	Very low	120 Å²	120	165.4 Å²	165.4	74%	0.736	81%	0.805	S	S	*	*	S	Bend	trans	-152.8	-4.4	169.9	6.2	0	0	0	0	116.1
8	F	35.9	Very low	33	Very low	209 Å²	209	165.3 Å²	165.3	92%	0.917	80%	0.8	S	S	*	*	S	Bend	trans	-102.3	0.9	179.6	-105.1	-90.6	0	0	0	115.2
9	F	35.4	Very low	33.3	Very low	182 Å²	182	161.7 Å²	161.7	80%	0.798	79%	0.785	S	S	*	*	S	Bend	trans	-110.1	18	179.7	-88	-76.7	0	0	0	114.3
10	S	32.6	Very low	33.7	Very low	92 Å²	92	160.3 Å²	160.3	64%	0.643	78%	0.781	S	S	*	*			trans	-90.7	3.9	-174.2	56.1	0	0	0	0	116	I12	S10-I12 VanDerWaalsContact C-N 3.33Å; S10-I12 PolarHBondContact O-N 2.82Å
11	F	31.4	Very low	34.5	Very low	207 Å²	207	159.2 Å²	159.2	91%	0.908	78%	0.779	S	S	*	*			trans	-95.1	53.7	170.2	-84.7	-82.2	0	0	0	112
12	I	30.9	Very low	35.8	Very low	126 Å²	126	152.4 Å²	152.4	65%	0.646	75%	0.748	S	S	*	*			trans	-92.4	120.8	166	-62.5	173.2	0	0	0	107.7	S10 M14	S10-I12 VanDerWaalsContact C-N 3.33Å; S10-I12 PolarHBondContact O-N 2.82Å; I12-M14 PolarHBondContact O-N 3.44Å
13	P	31.8	Very low	37.6	Very low	117 Å²	117	146.6 Å²	146.6	76%	0.76	72%	0.72	S	S	*	*			trans	-66	96.4	170.4	-20	33.3	0	0	0	110.7	N15	P13-N15 PolarHBondContact O-N 3.22Å
14	M	26.4	Very low	39.1	Very low	178 Å²	178	144.4 Å²	144.4	88%	0.877	71%	0.707	S	S	*	*			trans	-58	98.3	163.7	-81.1	-174.2	162.9	0	0	109.7	I12	I12-M14 PolarHBondContact O-N 3.44Å
15	N	28.1	Very low	40.9	Very low	110 Å²	110	144.5 Å²	144.5	59%	0.588	70%	0.704	S	S	*	*			trans	-170.4	49.4	144.5	-105.2	-35.2	0	0	0	115.4	P13 K17	P13-N15 PolarHBondContact O-N 3.22Å; N15-K17 PolarHBondContact O-N 2.99Å
16	W	29.2	Very low	42.8	Very low	264 Å²	264	139.4 Å²	139.4	100%	1	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	48.4	163	-84.9	56.2	0	0	0	112.2
17	K	28.8	Very low	45	Very low	191 Å²	191	134 Å²	134	83%	0.83	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.3	13.9	175	-88.5	-168.7	174.3	-179.8	0	114.1	N15	N15-K17 PolarHBondContact O-N 2.99Å
18	F	26.9	Very low	47	Very low	163 Å²	163	135 Å²	135	72%	0.715	64%	0.643	S	S	*	*	S	Bend	trans	-125.2	82.8	178.3	-97.2	-89.2	0	0	0	110.9
19	N	39.7	Very low	49.4	Very low	98 Å²	98	129.3 Å²	129.3	52%	0.524	62%	0.619	S	S	.	*			trans	179.2	14.2	141.5	-99.3	-18.2	0	0	0	118.8	N21 N22 L23	N19-N21 PolarHBondContact O-N 3.1Å; N19-N22 HydrophobicContact CB-CB 4.17Å; N19-N22 PolarHBondContact O-N 3.46Å; N19-N22 WeakPolarHBondContact OD1-CB 3.32Å; N19-N22 PolarHBondContact OD1-ND2 3.42Å; N19-L23 PolarHBondContact O-N 2.92Å; N19-L23 VanDerWaalsContact O-N 3.16Å
20	D	40.5	Very low	51.8	Low	133 Å²	133	121.3 Å²	121.3	71%	0.711	58%	0.584	S	S	*	*	H	α-helix	trans	-50.6	-37.3	177.2	-56.6	-9.5	0	0	0	112.8	N22 L24	D20-N22 PolarHBondContact O-N 3.45Å; D20-L24 WeakPolarHBondContact O-CB 3.24Å; D20-L24 PolarHBondContact O-N 3.45Å; D20-L24 VanDerWaalsContact O-N 3.12Å
21	N	50.1	Low	54.5	Low	138 Å²	138	117.6 Å²	117.6	74%	0.738	56%	0.557	S	S	*	*	H	α-helix	trans	-63.6	-36.3	174.4	-72.2	-25.9	0	0	0	114	N19 R25	N19-N21 PolarHBondContact O-N 3.1Å; N21-R25 WeakPolarHBondContact O-CB 3.37Å; N21-R25 PolarHBondContact O-N 3.32Å
22	N	62.9	Low	57.2	Low	87 Å²	87	114 Å²	114	47%	0.465	54%	0.543	S	S	.	.	H	α-helix	trans	-76.6	-35.4	179.7	-95.6	-27.9	0	0	0	112.1	N19 D20 R25 K26	N19-N22 HydrophobicContact CB-CB 4.17Å; N19-N22 PolarHBondContact O-N 3.46Å; N19-N22 WeakPolarHBondContact OD1-CB 3.32Å; N19-N22 PolarHBondContact OD1-ND2 3.42Å; D20-N22 PolarHBondContact O-N 3.45Å; N22-R25 PolarHBondContact O-N 3.02Å; N22-K26 WeakPolarHBondContact O-CB 3.38Å; N22-K26 PolarHBondContact O-N 3.1Å
23	L	67.6	Low	59.9	Low	57 Å²	57	112.8 Å²	112.8	30%	0.298	53%	0.534	S	S	.	.	H	α-helix	trans	-67.2	-42.2	174.2	-156.1	89.9	0	0	0	111	N19 R25 K26 R27 I71 D209	N19-L23 PolarHBondContact O-N 2.92Å; N19-L23 VanDerWaalsContact O-N 3.16Å; L23-R25 VanDerWaalsContact C-N 3.33Å; L23-R25 PolarHBondContact O-N 3.34Å; L23-K26 PolarHBondContact O-N 3.39Å; L23-R27 WeakPolarHBondContact O-CG 3.47Å; L23-R27 PolarHBondContact O-N 3.32Å; L23-I71 HydrophobicContact CD1-CG2 4.37Å; L23-D209 HydrophobicContact CD2-CB 3.48Å; L23-D209 VanDerWaalsContact CD2-CB 3.48Å; L23-D209 VanDerWaalsContact CD2-O 3.28Å; L23-D209 WeakPolarHBondContact CD2-O 3.45Å
24	L	71.1	Confident	62.6	Low	77 Å²	77	107.2 Å²	107.2	40%	0.403	50%	0.498	S	S	.	.	H	α-helix	trans	-62.5	-39.3	175.1	-175	65.9	0	0	0	112.3	D20 K28	D20-L24 WeakPolarHBondContact O-CB 3.24Å; D20-L24 PolarHBondContact O-N 3.45Å; D20-L24 VanDerWaalsContact O-N 3.12Å; L24-K28 PolarHBondContact O-N 3.46Å
25	R	75.4	Confident	65.7	Low	154 Å²	154	103.8 Å²	103.8	58%	0.581	48%	0.478	S	S	*	.	H	α-helix	trans	-63.4	-52	174.5	-179.6	175.6	175.1	165.1	3.1	111.4	N21 N22 L23 R27 K28 E29	N21-R25 WeakPolarHBondContact O-CB 3.37Å; N21-R25 PolarHBondContact O-N 3.32Å; N22-R25 PolarHBondContact O-N 3.02Å; L23-R25 VanDerWaalsContact C-N 3.33Å; L23-R25 PolarHBondContact O-N 3.34Å; R25-R27 VanDerWaalsContact C-N 3.26Å; R25-R27 PolarHBondContact O-N 3.49Å; R25-K28 PolarHBondContact O-N 3.21Å; R25-E29 HydrophobicContact CG-CG 4.45Å; R25-E29 WeakPolarHBondContact CG-OE1 3.4Å; R25-E29 IonicContact CZ-OE1 2.9Å; R25-E29 IonicContact NE-OE1 2.68Å; R25-E29 PolarHBondContact NE-OE1 3.11Å; R25-E29 IonicContact NH2-OE1 3.86Å; R25-E29 PolarHBondContact NH2-OE1 3.47Å; R25-E29 WeakPolarHBondContact O-CG 3.48Å; R25-E29 PolarHBondContact O-N 2.94Å
26	K	78.7	Confident	68.6	Low	94 Å²	94	103.5 Å²	103.5	41%	0.409	48%	0.476	S	S	.	.	H	α-helix	trans	-60	-34	-179.9	-166	175.2	-178.7	180	0	112.8	N22 L23 L30 I71	N22-K26 WeakPolarHBondContact O-CB 3.38Å; N22-K26 PolarHBondContact O-N 3.1Å; L23-K26 PolarHBondContact O-N 3.39Å; K26-L30 PolarHBondContact O-N 3.27Å; K26-I71 HydrophobicContact CB-CD1 4.38Å; K26-I71 HydrophobicContact CD-CD1 3.72Å; K26-I71 HydrophobicContact CG-CD1 3.74Å
27	R	81.5	Confident	71.4	Confident	16 Å²	16	92 Å²	92	6%	0.06	43%	0.434	C	S	.	.	H	α-helix	trans	-62.5	-47.2	172.1	-78.1	174.5	44.6	-163.3	-7.6	112.9	L23 R25 E29 I31 I71 D209 I211 N214 D217	L23-R27 WeakPolarHBondContact O-CG 3.47Å; L23-R27 PolarHBondContact O-N 3.32Å; R25-R27 VanDerWaalsContact C-N 3.26Å; R25-R27 PolarHBondContact O-N 3.49Å; R27-E29 VanDerWaalsContact C-N 3.35Å; R27-I31 WeakPolarHBondContact O-CB 3.19Å; R27-I31 VanDerWaalsContact O-CG1 3.31Å; R27-I31 WeakPolarHBondContact O-CG1 3.34Å; R27-I31 PolarHBondContact O-N 3.25Å; R27-I71 HydrophobicContact CG-CG2 4.38Å; R27-D209 WeakPolarHBondContact CD-O 3.24Å; R27-D209 PolarHBondContact NH1-O 3.2Å; R27-I211 HydrophobicContact CB-CG1 4.39Å; R27-I211 HydrophobicContact CG-CD1 4.39Å; R27-I211 HydrophobicContact CG-CG1 3.73Å; R27-N214 VanDerWaalsContact NH2-CG 3.32Å; R27-N214 PolarHBondContact NH2-ND2 2.78Å; R27-N214 VanDerWaalsContact NH2-ND2 3.1Å; R27-D217 IonicContact CZ-OD2 3.88Å; R27-D217 IonicContact NE-OD2 3.81Å; R27-D217 PolarHBondContact NE-OD2 3.4Å; R27-D217 IonicContact NH2-OD1 3.64Å; R27-D217 IonicContact NH2-OD2 2.72Å; R27-D217 PolarHBondContact NH2-OD2 2.86Å
28	K	82.5	Confident	74.4	Confident	143 Å²	143	83.5 Å²	83.5	62%	0.622	40%	0.398	S	S	*	.	H	α-helix	trans	-64.8	-40.6	177.6	-71.5	-179.6	178.6	-177.5	0	111.6	L24 R25 H32	L24-K28 PolarHBondContact O-N 3.46Å; R25-K28 PolarHBondContact O-N 3.21Å; K28-H32 VanDerWaalsContact O-CB 3.29Å; K28-H32 WeakPolarHBondContact O-CB 3.34Å; K28-H32 PolarHBondContact O-N 3.41Å
29	E	86.3	Confident	77.4	Confident	89 Å²	89	81.4 Å²	81.4	42%	0.416	39%	0.389	S	S	.	.	H	α-helix	trans	-61.7	-51.6	177.1	-72.4	166.9	168	0	0	111.1	R25 R27 I31 H32 E33	R25-E29 HydrophobicContact CG-CG 4.45Å; R25-E29 WeakPolarHBondContact CG-OE1 3.4Å; R25-E29 IonicContact CZ-OE1 2.9Å; R25-E29 IonicContact NE-OE1 2.68Å; R25-E29 PolarHBondContact NE-OE1 3.11Å; R25-E29 IonicContact NH2-OE1 3.86Å; R25-E29 PolarHBondContact NH2-OE1 3.47Å; R25-E29 WeakPolarHBondContact O-CG 3.48Å; R25-E29 PolarHBondContact O-N 2.94Å; R27-E29 VanDerWaalsContact C-N 3.35Å; E29-I31 PolarHBondContact O-N 3.18Å; E29-H32 WeakPolarHBondContact O-CB 3.32Å; E29-H32 PolarHBondContact O-N 3.18Å; E29-H32 VanDerWaalsContact O-N 3.14Å; E29-E33 WeakPolarHBondContact O-CB 3.31Å; E29-E33 PolarHBondContact O-N 2.92Å
30	L	86.3	Confident	79.7	Confident	13 Å²	13	79 Å²	79	7%	0.068	38%	0.378	C	S	.	.	H	α-helix	trans	-64.2	-38.6	177.7	-77.1	176.1	0	0	0	114	K26 H32 E33 L34 L64 E67 I71	K26-L30 PolarHBondContact O-N 3.27Å; L30-H32 VanDerWaalsContact C-N 3.28Å; L30-H32 PolarHBondContact O-N 2.85Å; L30-E33 PolarHBondContact O-N 2.88Å; L30-L34 VanDerWaalsContact O-CB 3.24Å; L30-L34 WeakPolarHBondContact O-CB 3.38Å; L30-L34 PolarHBondContact O-N 2.85Å; L30-L64 HydrophobicContact CD2-CD2 4.3Å; L30-E67 HydrophobicContact CD1-CB 4.06Å; L30-E67 HydrophobicContact CD2-CB 3.98Å; L30-I71 HydrophobicContact CD1-CD1 3.39Å; L30-I71 HydrophobicContact CD1-CG1 4.12Å
31	I	87.7	Confident	81.9	Confident	15 Å²	15	72.7 Å²	72.7	8%	0.077	34%	0.344	C	S	.	.	H	α-helix	trans	-67	-32.7	175.7	-68.7	169.9	0	0	0	110.8	R27 E29 K35 I211 D217 V220	R27-I31 WeakPolarHBondContact O-CB 3.19Å; R27-I31 VanDerWaalsContact O-CG1 3.31Å; R27-I31 WeakPolarHBondContact O-CG1 3.34Å; R27-I31 PolarHBondContact O-N 3.25Å; E29-I31 PolarHBondContact O-N 3.18Å; I31-K35 HydrophobicContact CG2-CD 4.47Å; I31-K35 WeakPolarHBondContact O-CB 3.47Å; I31-K35 VanDerWaalsContact O-CG 3.23Å; I31-K35 WeakPolarHBondContact O-CG 3.39Å; I31-K35 PolarHBondContact O-N 3.42Å; I31-K35 VanDerWaalsContact O-N 3.13Å; I31-I211 HydrophobicContact CG1-CD1 4.47Å; I31-D217 HydrophobicContact CD1-CB 3.8Å; I31-V220 HydrophobicContact CG2-CG1 3.8Å
32	H	88.7	Confident	83.7	Confident	132 Å²	132	69 Å²	69	61%	0.611	32%	0.323	S	S	*	.	H	α-helix	trans	-71.1	-43.4	174.2	-177.8	-82.2	0	0	0	111.9	K28 E29 L30 K35 L36	K28-H32 VanDerWaalsContact O-CB 3.29Å; K28-H32 WeakPolarHBondContact O-CB 3.34Å; K28-H32 PolarHBondContact O-N 3.41Å; E29-H32 WeakPolarHBondContact O-CB 3.32Å; E29-H32 PolarHBondContact O-N 3.18Å; E29-H32 VanDerWaalsContact O-N 3.14Å; L30-H32 VanDerWaalsContact C-N 3.28Å; L30-H32 PolarHBondContact O-N 2.85Å; H32-K35 WeakPolarHBondContact O-CB 3.17Å; H32-K35 PolarHBondContact O-N 2.93Å; H32-L36 PolarHBondContact O-N 3.05Å
33	E	87.3	Confident	84.8	Confident	100 Å²	100	69.5 Å²	69.5	47%	0.467	32%	0.323	S	S	.	.	H	α-helix	trans	-64.9	-43.5	177.6	-164	174.8	-174.8	0	0	111.6	E29 L30 K35 L36 N37 L64	E29-E33 WeakPolarHBondContact O-CB 3.31Å; E29-E33 PolarHBondContact O-N 2.92Å; L30-E33 PolarHBondContact O-N 2.88Å; E33-K35 VanDerWaalsContact C-N 3.33Å; E33-K35 PolarHBondContact O-N 2.71Å; E33-L36 PolarHBondContact O-N 3.19Å; E33-N37 WeakPolarHBondContact O-CB 3.24Å; E33-N37 PolarHBondContact O-N 3.22Å; E33-L64 HydrophobicContact CB-CD2 4.21Å; E33-L64 HydrophobicContact CG-CD1 4.07Å; E33-L64 HydrophobicContact CG-CD2 3.65Å
34	L	89.7	Confident	85.5	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.8	-39.2	172.5	-173.3	67.2	0	0	0	111.9	L30 V38 F61 L64 V65 F221 L224	L30-L34 VanDerWaalsContact O-CB 3.24Å; L30-L34 WeakPolarHBondContact O-CB 3.38Å; L30-L34 PolarHBondContact O-N 2.85Å; L34-V38 HydrophobicContact CD1-CG2 4.21Å; L34-V38 HydrophobicContact CG-CG2 4.32Å; L34-V38 VanDerWaalsContact O-CB 3.28Å; L34-V38 WeakPolarHBondContact O-CB 3.09Å; L34-V38 WeakPolarHBondContact O-CG2 3.46Å; L34-V38 PolarHBondContact O-N 3.49Å; L34-F61 HydrophobicContact CD1-CD2 4.02Å; L34-F61 HydrophobicContact CD1-CE2 3.81Å; L34-L64 HydrophobicContact CD1-CB 4.08Å; L34-V65 HydrophobicContact CD1-CG2 4.32Å; L34-F221 HydrophobicContact CD2-CD2 3.53Å; L34-F221 HydrophobicContact CD2-CE2 3.76Å; L34-L224 HydrophobicContact CD2-CB 4.16Å; L34-L224 HydrophobicContact CD2-CD1 3.96Å; L34-L224 HydrophobicContact CG-CB 4.43Å; L34-L224 HydrophobicContact CG-CD1 4.21Å
35	K	89.9	Confident	86.1	Confident	105 Å²	105	68 Å²	68	46%	0.457	31%	0.314	S	S	.	.	H	α-helix	trans	-61.4	-44.8	173.6	-80.8	169.8	179.6	-175.6	0	112.4	I31 H32 E33 K39 L224	I31-K35 HydrophobicContact CG2-CD 4.47Å; I31-K35 WeakPolarHBondContact O-CB 3.47Å; I31-K35 VanDerWaalsContact O-CG 3.23Å; I31-K35 WeakPolarHBondContact O-CG 3.39Å; I31-K35 PolarHBondContact O-N 3.42Å; I31-K35 VanDerWaalsContact O-N 3.13Å; H32-K35 WeakPolarHBondContact O-CB 3.17Å; H32-K35 PolarHBondContact O-N 2.93Å; E33-K35 VanDerWaalsContact C-N 3.33Å; E33-K35 PolarHBondContact O-N 2.71Å; K35-K39 WeakPolarHBondContact O-CB 3.39Å; K35-K39 PolarHBondContact O-N 3.17Å; K35-L224 HydrophobicContact CG-CD1 3.74Å; K35-L224 HydrophobicContact CG-CD2 3.73Å; K35-L224 HydrophobicContact CG-CG 4.39Å
36	L	89.1	Confident	86.3	Confident	104 Å²	104	65.3 Å²	65.3	55%	0.545	32%	0.319	S	S	.	.	H	α-helix	trans	-64.8	-46.9	178.9	-174.9	65	0	0	0	110.7	H32 E33 K39 T40	H32-L36 PolarHBondContact O-N 3.05Å; E33-L36 PolarHBondContact O-N 3.19Å; L36-K39 WeakPolarHBondContact O-CB 3.31Å; L36-K39 PolarHBondContact O-N 3.04Å; L36-T40 PolarHBondContact O-N 2.88Å; L36-T40 PolarHBondContact O-OG1 3.47Å
37	N	89.7	Confident	86.2	Confident	22 Å²	22	66.6 Å²	66.6	12%	0.118	34%	0.335	C	S	.	.	H	α-helix	trans	-65.8	-43.4	-179	-164.5	-88	0	0	0	112.5	E33 K39 T40 L41 S60 F61 L64	E33-N37 WeakPolarHBondContact O-CB 3.24Å; E33-N37 PolarHBondContact O-N 3.22Å; N37-K39 VanDerWaalsContact C-N 3.32Å; N37-K39 PolarHBondContact O-N 3.35Å; N37-T40 PolarHBondContact O-N 2.88Å; N37-L41 WeakPolarHBondContact O-CB 3.43Å; N37-L41 PolarHBondContact O-N 3.3Å; N37-S60 PolarHBondContact ND2-OG 2.87Å; N37-F61 VanDerWaalsContact OD1-CA 3.26Å; N37-F61 WeakPolarHBondContact OD1-CA 3.46Å; N37-F61 WeakPolarHBondContact OD1-CB 3.4Å; N37-F61 PolarHBondContact OD1-N 3.18Å; N37-L64 HydrophobicContact CB-CD1 3.44Å; N37-L64 VanDerWaalsContact CB-CD1 3.44Å
38	V	90.9	Very high	85.5	Confident	13 Å²	13	67.8 Å²	67.8	8%	0.079	35%	0.345	C	S	.	.	H	α-helix	trans	-61.5	-40.7	173	169.7	0	0	0	0	110.9	L34 L41 M42 F61 L224 P228	L34-V38 HydrophobicContact CD1-CG2 4.21Å; L34-V38 HydrophobicContact CG-CG2 4.32Å; L34-V38 VanDerWaalsContact O-CB 3.28Å; L34-V38 WeakPolarHBondContact O-CB 3.09Å; L34-V38 WeakPolarHBondContact O-CG2 3.46Å; L34-V38 PolarHBondContact O-N 3.49Å; V38-L41 PolarHBondContact O-N 2.89Å; V38-M42 HydrophobicContact CG1-CE 4.47Å; V38-M42 HydrophobicContact CG1-CG 4.21Å; V38-M42 WeakPolarHBondContact O-CB 3.16Å; V38-M42 VanDerWaalsContact O-CG 3.27Å; V38-M42 WeakPolarHBondContact O-CG 3.26Å; V38-M42 PolarHBondContact O-N 3.36Å; V38-F61 HydrophobicContact CG2-CD2 3.93Å; V38-F61 HydrophobicContact CG2-CE2 3.64Å; V38-L224 HydrophobicContact CG2-CB 4.45Å; V38-P228 HydrophobicContact CG1-CG 4.31Å; V38-P228 HydrophobicContact CG2-CG 4.01Å
39	K	90.3	Very high	84.8	Confident	119 Å²	119	73.2 Å²	73.2	52%	0.517	36%	0.362	S	S	.	.	H	α-helix	trans	-57.7	-53.1	174.2	178.4	-175.2	166.2	-175.6	0	111	K35 L36 N37 L41 M42 E43	K35-K39 WeakPolarHBondContact O-CB 3.39Å; K35-K39 PolarHBondContact O-N 3.17Å; L36-K39 WeakPolarHBondContact O-CB 3.31Å; L36-K39 PolarHBondContact O-N 3.04Å; N37-K39 VanDerWaalsContact C-N 3.32Å; N37-K39 PolarHBondContact O-N 3.35Å; K39-L41 VanDerWaalsContact C-N 3.3Å; K39-L41 PolarHBondContact O-N 2.86Å; K39-M42 PolarHBondContact O-N 2.86Å; K39-E43 WeakPolarHBondContact CE-OE1 3.3Å; K39-E43 HydrophobicContact CG-CG 4.5Å; K39-E43 IonicContact NZ-OE1 2.74Å; K39-E43 WeakPolarHBondContact O-CG 3.26Å; K39-E43 PolarHBondContact O-N 2.89Å
40	T	87.4	Confident	84.1	Confident	49 Å²	49	71.4 Å²	71.4	30%	0.301	36%	0.359	S	S	.	.	H	α-helix	trans	-61.5	-38.1	179.3	-53.4	0	0	0	0	112.2	L36 N37 E43 Y44	L36-T40 PolarHBondContact O-N 2.88Å; L36-T40 PolarHBondContact O-OG1 3.47Å; N37-T40 PolarHBondContact O-N 2.88Å; T40-E43 PolarHBondContact O-N 3.1Å; T40-Y44 WeakPolarHBondContact O-CB 3.26Å; T40-Y44 PolarHBondContact O-N 3.39Å
41	L	86.8	Confident	83.7	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-68.7	-37	176.7	-173.1	64.7	0	0	0	112.3	N37 V38 K39 A45 I51 H57 V58 F61 P228 I231	N37-L41 WeakPolarHBondContact O-CB 3.43Å; N37-L41 PolarHBondContact O-N 3.3Å; V38-L41 PolarHBondContact O-N 2.89Å; K39-L41 VanDerWaalsContact C-N 3.3Å; K39-L41 PolarHBondContact O-N 2.86Å; L41-A45 WeakPolarHBondContact O-CB 3.38Å; L41-A45 PolarHBondContact O-N 2.84Å; L41-I51 HydrophobicContact CD1-CD1 3.66Å; L41-I51 HydrophobicContact CG-CD1 4.31Å; L41-H57 HydrophobicContact CD1-CB 3.86Å; L41-V58 HydrophobicContact CD1-CG2 3.89Å; L41-F61 HydrophobicContact CD2-CB 4.09Å; L41-F61 HydrophobicContact CD2-CD2 4.37Å; L41-F61 HydrophobicContact CD2-CG 4.06Å; L41-P228 HydrophobicContact CD2-CB 4.06Å; L41-P228 HydrophobicContact CD2-CG 4.09Å; L41-I231 HydrophobicContact CG-CD1 4.48Å
42	M	87.9	Confident	83.1	Confident	59 Å²	59	71.9 Å²	71.9	29%	0.291	36%	0.363	S	S	.	.	H	α-helix	trans	-69.2	-39.4	172.7	-68.2	-52.5	100	0	0	111.8	V38 K39 Y44 A45 S46 P228 I231	V38-M42 HydrophobicContact CG1-CE 4.47Å; V38-M42 HydrophobicContact CG1-CG 4.21Å; V38-M42 WeakPolarHBondContact O-CB 3.16Å; V38-M42 VanDerWaalsContact O-CG 3.27Å; V38-M42 WeakPolarHBondContact O-CG 3.26Å; V38-M42 PolarHBondContact O-N 3.36Å; K39-M42 PolarHBondContact O-N 2.86Å; M42-Y44 VanDerWaalsContact C-N 3.34Å; M42-A45 WeakPolarHBondContact O-CB 3.41Å; M42-A45 PolarHBondContact O-N 3.17Å; M42-S46 PolarHBondContact O-N 2.76Å; M42-P228 HydrophobicContact CE-CB 4.4Å; M42-P228 HydrophobicContact CE-CG 3.77Å; M42-I231 HydrophobicContact CE-CD1 3.42Å; M42-I231 VanDerWaalsContact CE-CD1 3.42Å; M42-I231 HydrophobicContact CE-CG1 4.35Å; M42-I231 HydrophobicContact SD-CD1 4.3Å
43	E	86.4	Confident	82.6	Confident	98 Å²	98	66.5 Å²	66.5	46%	0.458	34%	0.338	S	S	.	.	H	α-helix	trans	-61.4	-44.6	174.1	-74	170.1	160.1	0	0	110.2	K39 T40 A45 S46 V47	K39-E43 WeakPolarHBondContact CE-OE1 3.3Å; K39-E43 HydrophobicContact CG-CG 4.5Å; K39-E43 IonicContact NZ-OE1 2.74Å; K39-E43 WeakPolarHBondContact O-CG 3.26Å; K39-E43 PolarHBondContact O-N 2.89Å; T40-E43 PolarHBondContact O-N 3.1Å; E43-A45 PolarHBondContact O-N 2.65Å; E43-S46 PolarHBondContact O-N 3.16Å; E43-S46 PolarHBondContact O-OG 3.4Å; E43-V47 PolarHBondContact O-N 3.11Å
44	Y	82	Confident	81.9	Confident	74 Å²	74	64.2 Å²	64.2	29%	0.29	33%	0.33	S	S	.	.	H	α-helix	trans	-63.1	-40.3	173.8	-169.8	-133.3	0	0	0	112.5	T40 M42 S46 V47 C48 I51 H57	T40-Y44 WeakPolarHBondContact O-CB 3.26Å; T40-Y44 PolarHBondContact O-N 3.39Å; M42-Y44 VanDerWaalsContact C-N 3.34Å; Y44-S46 VanDerWaalsContact C-N 3.28Å; Y44-S46 PolarHBondContact O-N 3.15Å; Y44-V47 PolarHBondContact O-N 3.07Å; Y44-C48 PolarHBondContact O-N 3.01Å; Y44-C48 VanDerWaalsContact O-N 3.15Å; Y44-I51 HydrophobicContact CD1-CD1 3.9Å; Y44-I51 HydrophobicContact CD1-CG1 4.12Å; Y44-I51 HydrophobicContact CD1-CG2 4.15Å; Y44-I51 HydrophobicContact CE1-CG1 4.41Å; Y44-I51 HydrophobicContact CE1-CG2 3.99Å; Y44-H57 AromaticContact CD1-ND1 4Å
45	A	82.8	Confident	81.3	Confident	28 Å²	28	65 Å²	65	23%	0.231	34%	0.335	C	S	.	.	H	α-helix	trans	-62.4	-32	173.9	0	0	0	0	0	113.3	L41 M42 E43 V47 C48 I51 I231	L41-A45 WeakPolarHBondContact O-CB 3.38Å; L41-A45 PolarHBondContact O-N 2.84Å; M42-A45 WeakPolarHBondContact O-CB 3.41Å; M42-A45 PolarHBondContact O-N 3.17Å; E43-A45 PolarHBondContact O-N 2.65Å; A45-V47 VanDerWaalsContact C-N 3.29Å; A45-V47 PolarHBondContact O-N 3.25Å; A45-C48 VanDerWaalsContact O-O 3.06Å; A45-I51 HydrophobicContact CB-CD1 3.81Å; A45-I51 HydrophobicContact CB-CG1 4.43Å; A45-I231 HydrophobicContact CB-CD1 3.53Å; A45-I231 HydrophobicContact CB-CG1 4.16Å
46	S	81.4	Confident	80.8	Confident	98 Å²	98	65.1 Å²	65.1	69%	0.685	34%	0.344	S	S	*	.	H	α-helix	trans	-71.4	-24.8	-179.6	76.4	0	0	0	0	113.1	M42 E43 Y44	M42-S46 PolarHBondContact O-N 2.76Å; E43-S46 PolarHBondContact O-N 3.16Å; E43-S46 PolarHBondContact O-OG 3.4Å; Y44-S46 VanDerWaalsContact C-N 3.28Å; Y44-S46 PolarHBondContact O-N 3.15Å
47	V	76.1	Confident	80.6	Confident	122 Å²	122	63.1 Å²	63.1	74%	0.739	33%	0.332	S	S	*	.	H	α-helix	trans	-92.2	-32.4	179.4	-178.5	0	0	0	0	111.8	E43 Y44 A45	E43-V47 PolarHBondContact O-N 3.11Å; Y44-V47 PolarHBondContact O-N 3.07Å; A45-V47 VanDerWaalsContact C-N 3.29Å; A45-V47 PolarHBondContact O-N 3.25Å
48	C	67.4	Low	80.4	Confident	40 Å²	40	62 Å²	62	27%	0.27	33%	0.327	S	S	.	.			trans	-107.7	128	-174.4	-63.5	0	0	0	0	112.7	Y44 A45 S50	Y44-C48 PolarHBondContact O-N 3.01Å; Y44-C48 VanDerWaalsContact O-N 3.15Å; A45-C48 VanDerWaalsContact O-O 3.06Å; C48-S50 PolarHBondContact O-N 2.91Å
49	R	66.8	Low	80	Confident	258 Å²	258	64.5 Å²	64.5	97%	0.974	34%	0.339	S	S	*	.	S	Bend	trans	-57.5	-23.3	175.4	-74.1	-175.2	177.2	173.9	-0.1	114.4
50	S	71	Confident	79.8	Confident	51 Å²	51	61 Å²	61	36%	0.357	33%	0.329	S	S	.	.	S	Bend	trans	-151.9	142	173.6	61.1	0	0	0	0	108.7	C48 N232 S234	C48-S50 PolarHBondContact O-N 2.91Å; S50-N232 WeakPolarHBondContact CA-O 3.2Å; S50-S234 WeakPolarHBondContact CB-OG 3.21Å; S50-S234 PolarHBondContact OG-OG 3.24Å
51	I	78.2	Confident	79.9	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.6	176.1	-67.8	-169.9	0	0	0	110.2	L41 Y44 A45 E53 S55 V58 I231 N232 Y233 S234	L41-I51 HydrophobicContact CD1-CD1 3.66Å; L41-I51 HydrophobicContact CG-CD1 4.31Å; Y44-I51 HydrophobicContact CD1-CD1 3.9Å; Y44-I51 HydrophobicContact CD1-CG1 4.12Å; Y44-I51 HydrophobicContact CD1-CG2 4.15Å; Y44-I51 HydrophobicContact CE1-CG1 4.41Å; Y44-I51 HydrophobicContact CE1-CG2 3.99Å; A45-I51 HydrophobicContact CB-CD1 3.81Å; A45-I51 HydrophobicContact CB-CG1 4.43Å; I51-E53 PolarHBondContact O-N 2.8Å; I51-S55 WeakPolarHBondContact CG2-OG 3.5Å; I51-V58 HydrophobicContact CG2-CG2 3.59Å; I51-I231 HydrophobicContact CB-CG2 4.22Å; I51-I231 HydrophobicContact CD1-CD1 3.96Å; I51-I231 HydrophobicContact CD1-CG2 4.11Å; I51-I231 HydrophobicContact CG1-CG2 4.07Å; I51-N232 PolarHBondContact N-O 2.94Å; I51-Y233 HydrophobicContact CB-CD1 3.87Å; I51-Y233 HydrophobicContact CB-CE1 4.04Å; I51-Y233 HydrophobicContact CG2-CD1 3.89Å; I51-Y233 HydrophobicContact CG2-CE1 3.94Å; I51-Y233 CarbonylContact O-C 3.55Å; I51-Y233 VanDerWaalsContact O-CA 3.28Å; I51-Y233 WeakPolarHBondContact O-CA 3.43Å; I51-S234 PolarHBondContact O-N 2.94Å
52	P	76.1	Confident	79.9	Confident	37 Å²	37	58.6 Å²	58.6	24%	0.24	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	127.4	168.8	-27.9	36.8	0	0	0	112.8	D54 S55 T236	P52-D54 PolarHBondContact O-N 3.26Å; P52-S55 VanDerWaalsContact O-CB 3.27Å; P52-S55 WeakPolarHBondContact O-CB 3.2Å; P52-S55 PolarHBondContact O-N 2.86Å; P52-S55 PolarHBondContact O-OG 3.12Å; P52-T236 HydrophobicContact CB-CG2 3.72Å
53	E	78.3	Confident	79.7	Confident	19 Å²	19	58.3 Å²	58.3	9%	0.089	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-35.4	175.5	-75.1	178.9	-147.6	0	0	113.1	I51 S55 H183 V187 S234 S235	I51-E53 PolarHBondContact O-N 2.8Å; E53-S55 PolarHBondContact O-N 3.18Å; E53-H183 PolarHBondContact O-NE2 3.14Å; E53-V187 HydrophobicContact CG-CG1 4.44Å; E53-V187 HydrophobicContact CG-CG2 3.7Å; E53-V187 VanDerWaalsContact OE1-CG1 3.32Å; E53-V187 WeakPolarHBondContact OE1-CG1 3.38Å; E53-S234 PolarHBondContact N-O 3.09Å; E53-S235 VanDerWaalsContact OE1-CA 3.32Å; E53-S235 WeakPolarHBondContact OE1-CA 3.27Å; E53-S235 PolarHBondContact OE1-N 3.3Å
54	D	71	Confident	79.8	Confident	53 Å²	53	54 Å²	54	28%	0.283	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-6	178.6	-53.1	34.6	0	0	0	114	P52 T56 F166 T236	P52-D54 PolarHBondContact O-N 3.26Å; D54-T56 PolarHBondContact O-N 3.31Å; D54-F166 HydrophobicContact CB-CD2 4.41Å; D54-F166 HydrophobicContact CB-CE2 3.68Å; D54-F166 HydrophobicContact CB-CZ 4.12Å; D54-F166 VanDerWaalsContact CG-CD2 3.48Å; D54-F166 WeakPolarHBondContact OD2-CD2 3.25Å; D54-F166 VanDerWaalsContact OD2-CE2 3.27Å; D54-F166 WeakPolarHBondContact OD2-CE2 3.45Å; D54-T236 HydrophobicContact CB-CG2 4Å; D54-T236 VanDerWaalsContact CG-CG2 3.47Å; D54-T236 WeakPolarHBondContact OD1-CB 3.27Å; D54-T236 WeakPolarHBondContact OD1-CG2 3.41Å; D54-T236 PolarHBondContact OD1-OG1 3.09Å; D54-T236 PolarHBondContact OD2-OG1 2.77Å
55	S	77.7	Confident	80	Confident	15 Å²	15	50.5 Å²	50.5	11%	0.105	28%	0.282	C	S	.	.			trans	-63.9	139.9	-171.4	62.5	0	0	0	0	111.9	I51 P52 E53 H57 V58 I59	I51-S55 WeakPolarHBondContact CG2-OG 3.5Å; P52-S55 VanDerWaalsContact O-CB 3.27Å; P52-S55 WeakPolarHBondContact O-CB 3.2Å; P52-S55 PolarHBondContact O-N 2.86Å; P52-S55 PolarHBondContact O-OG 3.12Å; E53-S55 PolarHBondContact O-N 3.18Å; S55-H57 PolarHBondContact O-N 2.88Å; S55-H57 VanDerWaalsContact O-N 3.14Å; S55-V58 PolarHBondContact O-N 3.25Å; S55-V58 VanDerWaalsContact OG-CG2 3.23Å; S55-V58 WeakPolarHBondContact OG-CG2 3.46Å; S55-I59 PolarHBondContact O-N 2.93Å
56	T	80.7	Confident	80.2	Confident	108 Å²	108	49.7 Å²	49.7	66%	0.663	27%	0.274	S	S	*	.	H	α-helix	trans	-53.9	-35.9	178.9	49.1	0	0	0	0	112.3	D54 S60	D54-T56 PolarHBondContact O-N 3.31Å; T56-S60 WeakPolarHBondContact O-CB 3.22Å; T56-S60 PolarHBondContact O-N 3.05Å
57	H	84.3	Confident	80.3	Confident	62 Å²	62	47.1 Å²	47.1	29%	0.287	25%	0.251	S	S	.	.	H	α-helix	trans	-61.6	-43.8	173.9	-57.2	106.2	0	0	0	112.8	L41 Y44 S55 F61	L41-H57 HydrophobicContact CD1-CB 3.86Å; Y44-H57 AromaticContact CD1-ND1 4Å; S55-H57 PolarHBondContact O-N 2.88Å; S55-H57 VanDerWaalsContact O-N 3.14Å; H57-F61 WeakPolarHBondContact O-CB 3.49Å; H57-F61 PolarHBondContact O-N 2.99Å
58	V	85.2	Confident	80.7	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-69.7	-42.3	178.1	169.8	0	0	0	0	111.7	L41 I51 S55 F61 C62 L186 Y233	L41-V58 HydrophobicContact CD1-CG2 3.89Å; I51-V58 HydrophobicContact CG2-CG2 3.59Å; S55-V58 PolarHBondContact O-N 3.25Å; S55-V58 VanDerWaalsContact OG-CG2 3.23Å; S55-V58 WeakPolarHBondContact OG-CG2 3.46Å; V58-F61 PolarHBondContact O-N 2.85Å; V58-C62 PolarHBondContact O-N 3.12Å; V58-C62 PolarHBondContact O-SG 3.31Å; V58-L186 HydrophobicContact CG1-CD2 4.08Å; V58-Y233 HydrophobicContact CG2-CD1 3.88Å; V58-Y233 HydrophobicContact CG2-CE1 3.44Å; V58-Y233 VanDerWaalsContact CG2-CE1 3.44Å
59	I	83.1	Confident	81.5	Confident	65 Å²	65	39.5 Å²	39.5	33%	0.333	20%	0.203	S	C	.	.	H	α-helix	trans	-61.7	-46.4	175.8	-63	171.9	0	0	0	109.9	S55 F61 C62 T63	S55-I59 PolarHBondContact O-N 2.93Å; I59-F61 PolarHBondContact O-N 3.5Å; I59-C62 PolarHBondContact O-N 2.92Å; I59-T63 PolarHBondContact O-N 3.2Å
60	S	84.4	Confident	82.2	Confident	44 Å²	44	32.1 Å²	32.1	31%	0.308	18%	0.175	S	C	.	.	H	α-helix	trans	-63.8	-38.6	177.4	-180	0	0	0	0	112.8	N37 T56 C62 T63 L64	N37-S60 PolarHBondContact ND2-OG 2.87Å; T56-S60 WeakPolarHBondContact O-CB 3.22Å; T56-S60 PolarHBondContact O-N 3.05Å; S60-C62 VanDerWaalsContact C-N 3.34Å; S60-C62 PolarHBondContact O-N 3.12Å; S60-T63 PolarHBondContact O-N 3.24Å; S60-T63 PolarHBondContact O-OG1 2.73Å; S60-L64 WeakPolarHBondContact O-CG 3.21Å; S60-L64 PolarHBondContact O-N 2.66Å; S60-L64 VanDerWaalsContact O-N 3.14Å
61	F	89.6	Confident	82.6	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.3	-44.6	171.8	174.7	-101.9	0	0	0	111.6	L34 N37 V38 L41 H57 V58 I59 T63 L64 V65 L186 L191 I225 P228	L34-F61 HydrophobicContact CD1-CD2 4.02Å; L34-F61 HydrophobicContact CD1-CE2 3.81Å; N37-F61 VanDerWaalsContact OD1-CA 3.26Å; N37-F61 WeakPolarHBondContact OD1-CA 3.46Å; N37-F61 WeakPolarHBondContact OD1-CB 3.4Å; N37-F61 PolarHBondContact OD1-N 3.18Å; V38-F61 HydrophobicContact CG2-CD2 3.93Å; V38-F61 HydrophobicContact CG2-CE2 3.64Å; L41-F61 HydrophobicContact CD2-CB 4.09Å; L41-F61 HydrophobicContact CD2-CD2 4.37Å; L41-F61 HydrophobicContact CD2-CG 4.06Å; H57-F61 WeakPolarHBondContact O-CB 3.49Å; H57-F61 PolarHBondContact O-N 2.99Å; V58-F61 PolarHBondContact O-N 2.85Å; I59-F61 PolarHBondContact O-N 3.5Å; F61-T63 PolarHBondContact O-N 2.83Å; F61-L64 PolarHBondContact O-N 2.71Å; F61-V65 HydrophobicContact CD1-CG2 4.35Å; F61-V65 HydrophobicContact CD2-CG2 4.43Å; F61-V65 HydrophobicContact CE1-CG2 3.84Å; F61-V65 HydrophobicContact CE2-CG2 3.92Å; F61-V65 HydrophobicContact CZ-CG2 3.6Å; F61-V65 WeakPolarHBondContact O-CG2 3.25Å; F61-V65 PolarHBondContact O-N 2.74Å; F61-L186 HydrophobicContact CD1-CD2 3.71Å; F61-L186 HydrophobicContact CE1-CD1 3.99Å; F61-L186 HydrophobicContact CE1-CD2 3.91Å; F61-L191 HydrophobicContact CE1-CD2 4.32Å; F61-I225 HydrophobicContact CZ-CG1 4.21Å; F61-P228 HydrophobicContact CD1-CB 4.36Å; F61-P228 HydrophobicContact CD2-CG 4.18Å; F61-P228 HydrophobicContact CE1-CB 3.76Å; F61-P228 HydrophobicContact CE1-CG 4.25Å; F61-P228 HydrophobicContact CE2-CB 4.04Å; F61-P228 HydrophobicContact CE2-CG 3.58Å; F61-P228 HydrophobicContact CZ-CB 3.58Å; F61-P228 HydrophobicContact CZ-CG 3.61Å
62	C	87.7	Confident	82.3	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.9	-35.1	179.7	-66.7	0	0	0	0	112.8	V58 I59 S60 H66 I179 I182	V58-C62 PolarHBondContact O-N 3.12Å; V58-C62 PolarHBondContact O-SG 3.31Å; I59-C62 PolarHBondContact O-N 2.92Å; S60-C62 VanDerWaalsContact C-N 3.34Å; S60-C62 PolarHBondContact O-N 3.12Å; C62-H66 WeakPolarHBondContact O-CB 3.23Å; C62-H66 PolarHBondContact O-N 3.21Å; C62-I179 HydrophobicContact CB-CG2 3.81Å; C62-I182 HydrophobicContact CB-CG2 4.2Å
63	T	84.4	Confident	82.3	Confident	53 Å²	53	30.7 Å²	30.7	33%	0.325	17%	0.166	S	C	.	.	H	α-helix	trans	-67.5	-38	173.6	60.2	0	0	0	0	112.3	I59 S60 F61 H66 E67 I179	I59-T63 PolarHBondContact O-N 3.2Å; S60-T63 PolarHBondContact O-N 3.24Å; S60-T63 PolarHBondContact O-OG1 2.73Å; F61-T63 PolarHBondContact O-N 2.83Å; T63-H66 WeakPolarHBondContact O-CB 3.42Å; T63-H66 PolarHBondContact O-N 3.07Å; T63-E67 PolarHBondContact O-N 2.86Å; T63-I179 HydrophobicContact CG2-CD1 3.87Å
64	L	86.9	Confident	81.9	Confident	8 Å²	8	35.1 Å²	35.1	4%	0.042	19%	0.185	C	C	.	.	H	α-helix	trans	-68.5	-39.8	176.4	-67.4	170.9	0	0	0	112.6	L30 E33 L34 N37 S60 F61 H66 E67 C68	L30-L64 HydrophobicContact CD2-CD2 4.3Å; E33-L64 HydrophobicContact CB-CD2 4.21Å; E33-L64 HydrophobicContact CG-CD1 4.07Å; E33-L64 HydrophobicContact CG-CD2 3.65Å; L34-L64 HydrophobicContact CD1-CB 4.08Å; N37-L64 HydrophobicContact CB-CD1 3.44Å; N37-L64 VanDerWaalsContact CB-CD1 3.44Å; S60-L64 WeakPolarHBondContact O-CG 3.21Å; S60-L64 PolarHBondContact O-N 2.66Å; S60-L64 VanDerWaalsContact O-N 3.14Å; F61-L64 PolarHBondContact O-N 2.71Å; L64-H66 VanDerWaalsContact C-N 3.33Å; L64-E67 PolarHBondContact O-N 3.22Å; L64-C68 WeakPolarHBondContact O-CB 3.47Å; L64-C68 PolarHBondContact O-N 3.43Å; L64-C68 PolarHBondContact O-SG 3.36Å
65	V	87.4	Confident	81.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63	-40.8	172.2	172.8	0	0	0	0	110.9	L34 F61 C68 L69 I182 L191 F221 I225	L34-V65 HydrophobicContact CD1-CG2 4.32Å; F61-V65 HydrophobicContact CD1-CG2 4.35Å; F61-V65 HydrophobicContact CD2-CG2 4.43Å; F61-V65 HydrophobicContact CE1-CG2 3.84Å; F61-V65 HydrophobicContact CE2-CG2 3.92Å; F61-V65 HydrophobicContact CZ-CG2 3.6Å; F61-V65 WeakPolarHBondContact O-CG2 3.25Å; F61-V65 PolarHBondContact O-N 2.74Å; V65-C68 PolarHBondContact O-N 2.94Å; V65-L69 HydrophobicContact CG1-CD1 4.06Å; V65-L69 HydrophobicContact CG1-CG 4.48Å; V65-L69 WeakPolarHBondContact O-CG 3.48Å; V65-L69 PolarHBondContact O-N 2.97Å; V65-I182 HydrophobicContact CB-CG2 4.19Å; V65-I182 HydrophobicContact CG1-CD1 4.49Å; V65-I182 HydrophobicContact CG1-CG2 3.87Å; V65-L191 HydrophobicContact CG1-CD1 4.49Å; V65-L191 HydrophobicContact CG1-CD2 4.45Å; V65-F221 HydrophobicContact CG1-CZ 4.37Å; V65-I225 HydrophobicContact CG1-CD1 4.43Å; V65-I225 HydrophobicContact CG2-CD1 4.21Å; V65-I225 HydrophobicContact CG2-CG1 4.38Å
66	H	86.8	Confident	80.2	Confident	10 Å²	10	40.2 Å²	40.2	5%	0.046	22%	0.221	C	C	.	.	H	α-helix	trans	-56.3	-52.1	173.4	-179.1	87.5	0	0	0	111.7	C62 T63 L64 C68 L69 R70 T86 N178 I179 I182	C62-H66 WeakPolarHBondContact O-CB 3.23Å; C62-H66 PolarHBondContact O-N 3.21Å; T63-H66 WeakPolarHBondContact O-CB 3.42Å; T63-H66 PolarHBondContact O-N 3.07Å; L64-H66 VanDerWaalsContact C-N 3.33Å; H66-C68 PolarHBondContact O-N 3.38Å; H66-L69 PolarHBondContact O-N 3.4Å; H66-R70 WeakPolarHBondContact O-CB 3.16Å; H66-R70 PolarHBondContact O-N 2.97Å; H66-T86 VanDerWaalsContact CE1-CG2 3.5Å; H66-T86 WeakPolarHBondContact CE1-CG2 3.46Å; H66-T86 PolarHBondContact CE1-OG1 3.49Å; H66-T86 VanDerWaalsContact CE1-OG1 3.25Å; H66-T86 PolarHBondContact ND1-OG1 3.15Å; H66-T86 VanDerWaalsContact ND1-OG1 3.11Å; H66-N178 PolarHBondContact ND1-O 3.48Å; H66-I179 HydrophobicContact CB-CG1 4.4Å; H66-I182 HydrophobicContact CB-CD1 3.71Å
67	E	83.1	Confident	78.6	Confident	45 Å²	45	40.4 Å²	40.4	21%	0.21	22%	0.224	C	C	.	.	H	α-helix	trans	-61.9	-40.9	179.5	-74.4	-57.9	133.2	0	0	112.6	L30 T63 L64 L69 R70 I71	L30-E67 HydrophobicContact CD1-CB 4.06Å; L30-E67 HydrophobicContact CD2-CB 3.98Å; T63-E67 PolarHBondContact O-N 2.86Å; L64-E67 PolarHBondContact O-N 3.22Å; E67-L69 VanDerWaalsContact C-N 3.33Å; E67-L69 PolarHBondContact O-N 3.42Å; E67-R70 PolarHBondContact O-N 3.37Å; E67-R70 VanDerWaalsContact O-N 3.14Å; E67-R70 IonicContact OE1-CZ 3.8Å; E67-R70 IonicContact OE1-NE 2.78Å; E67-R70 PolarHBondContact OE1-NE 2.84Å; E67-R70 IonicContact OE1-NH1 3.46Å; E67-R70 IonicContact OE1-NH2 3.19Å; E67-R70 PolarHBondContact OE1-NH2 3.31Å; E67-R70 IonicContact OE2-CZ 3.46Å; E67-R70 IonicContact OE2-NE 2.65Å; E67-R70 PolarHBondContact OE2-NE 3.26Å; E67-R70 IonicContact OE2-NH2 3.41Å; E67-R70 PolarHBondContact OE2-NH2 3.03Å; E67-I71 PolarHBondContact O-N 2.68Å
68	C	85.2	Confident	76.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.2	-38.2	177.3	-68.9	0	0	0	0	112.8	L64 V65 H66 R70 I211 F221	L64-C68 WeakPolarHBondContact O-CB 3.47Å; L64-C68 PolarHBondContact O-N 3.43Å; L64-C68 PolarHBondContact O-SG 3.36Å; V65-C68 PolarHBondContact O-N 2.94Å; H66-C68 PolarHBondContact O-N 3.38Å; C68-R70 VanDerWaalsContact C-N 3.34Å; C68-I211 HydrophobicContact CB-CD1 4.12Å; C68-F221 HydrophobicContact CB-CD2 4.06Å; C68-F221 HydrophobicContact CB-CE2 3.25Å; C68-F221 HydrophobicContact CB-CZ 3.69Å
69	L	84.3	Confident	74.6	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-74.7	-21.6	175	-70.8	175.6	0	0	0	113.1	V65 H66 E67 T86 W181 I182 V195 I198 Y206 M212 F221	V65-L69 HydrophobicContact CG1-CD1 4.06Å; V65-L69 HydrophobicContact CG1-CG 4.48Å; V65-L69 WeakPolarHBondContact O-CG 3.48Å; V65-L69 PolarHBondContact O-N 2.97Å; H66-L69 PolarHBondContact O-N 3.4Å; E67-L69 VanDerWaalsContact C-N 3.33Å; E67-L69 PolarHBondContact O-N 3.42Å; L69-T86 HydrophobicContact CB-CG2 4.01Å; L69-W181 HydrophobicContact CD1-CH2 4.07Å; L69-W181 HydrophobicContact CD1-CZ2 4.23Å; L69-I182 HydrophobicContact CD1-CD1 4.47Å; L69-V195 HydrophobicContact CD2-CG2 4.5Å; L69-I198 HydrophobicContact CD2-CD1 4.31Å; L69-Y206 VanDerWaalsContact O-CE1 3.24Å; L69-Y206 WeakPolarHBondContact O-CE1 3.44Å; L69-Y206 PolarHBondContact O-OH 3.14Å; L69-M212 HydrophobicContact CD2-CE 4.35Å; L69-M212 HydrophobicContact CD2-CG 4.45Å; L69-M212 HydrophobicContact CD2-SD 3.86Å; L69-F221 HydrophobicContact CD2-CE1 4.24Å; L69-F221 HydrophobicContact CD2-CZ 4.41Å; L69-F221 HydrophobicContact CG-CZ 4.4Å
70	R	81.5	Confident	72.4	Confident	103 Å²	103	55.3 Å²	55.3	39%	0.389	30%	0.297	S	S	.	.	H	α-helix	trans	-82.6	-31.2	-179.9	-167.1	173.2	71.2	166.2	5.5	113.2	H66 E67 C68 G72 L73 T86	H66-R70 WeakPolarHBondContact O-CB 3.16Å; H66-R70 PolarHBondContact O-N 2.97Å; E67-R70 PolarHBondContact O-N 3.37Å; E67-R70 VanDerWaalsContact O-N 3.14Å; E67-R70 IonicContact OE1-CZ 3.8Å; E67-R70 IonicContact OE1-NE 2.78Å; E67-R70 PolarHBondContact OE1-NE 2.84Å; E67-R70 IonicContact OE1-NH1 3.46Å; E67-R70 IonicContact OE1-NH2 3.19Å; E67-R70 PolarHBondContact OE1-NH2 3.31Å; E67-R70 IonicContact OE2-CZ 3.46Å; E67-R70 IonicContact OE2-NE 2.65Å; E67-R70 PolarHBondContact OE2-NE 3.26Å; E67-R70 IonicContact OE2-NH2 3.41Å; E67-R70 PolarHBondContact OE2-NH2 3.03Å; C68-R70 VanDerWaalsContact C-N 3.34Å; R70-G72 PolarHBondContact O-N 2.6Å; R70-L73 PolarHBondContact O-N 2.92Å; R70-T86 HydrophobicContact CB-CG2 4.44Å
71	I	79.1	Confident	70	Confident	11 Å²	11	64 Å²	64	6%	0.056	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	123.6	-176.9	-72.8	-164.5	0	0	0	112.5	L23 K26 R27 L30 E67 L73 S210	L23-I71 HydrophobicContact CD1-CG2 4.37Å; K26-I71 HydrophobicContact CB-CD1 4.38Å; K26-I71 HydrophobicContact CD-CD1 3.72Å; K26-I71 HydrophobicContact CG-CD1 3.74Å; R27-I71 HydrophobicContact CG-CG2 4.38Å; L30-I71 HydrophobicContact CD1-CD1 3.39Å; L30-I71 HydrophobicContact CD1-CG1 4.12Å; E67-I71 PolarHBondContact O-N 2.68Å; I71-L73 VanDerWaalsContact C-N 3.32Å; I71-S210 VanDerWaalsContact O-CB 3.27Å; I71-S210 WeakPolarHBondContact O-CB 3.38Å
72	G	72.4	Confident	67.8	Low	19 Å²	19	71.9 Å²	71.9	20%	0.196	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	15.2	174.1	0	0	0	0	0	114.5	R70 K74 Y206 S207	R70-G72 PolarHBondContact O-N 2.6Å; G72-K74 PolarHBondContact O-N 3.26Å; G72-Y206 CarbonylContact O-C 3.53Å; G72-Y206 VanDerWaalsContact O-CA 3.29Å; G72-Y206 WeakPolarHBondContact O-CA 3.48Å; G72-S207 PolarHBondContact O-N 3.08Å; G72-S207 PolarHBondContact O-OG 3.11Å
73	L	76.1	Confident	66	Low	29 Å²	29	78.5 Å²	78.5	15%	0.152	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-65.5	128.2	170.7	-171.2	67.3	0	0	0	109.7	R70 I71 T75 I84 L89 F205 Y206	R70-L73 PolarHBondContact O-N 2.92Å; I71-L73 VanDerWaalsContact C-N 3.32Å; L73-T75 PolarHBondContact O-N 3.23Å; L73-I84 HydrophobicContact CD2-CG2 3.62Å; L73-L89 HydrophobicContact CD1-CD1 4.19Å; L73-L89 HydrophobicContact CD1-CD2 4.13Å; L73-F205 HydrophobicContact CD1-CB 4.15Å; L73-Y206 HydrophobicContact CB-CD1 4.3Å; L73-Y206 HydrophobicContact CB-CE1 4.04Å; L73-Y206 HydrophobicContact CD1-CD1 4.33Å; L73-Y206 HydrophobicContact CD1-CD2 4.45Å; L73-Y206 HydrophobicContact CD1-CE1 3.93Å; L73-Y206 HydrophobicContact CD1-CE2 4.05Å
74	K	69.7	Low	64.6	Low	111 Å²	111	79.4 Å²	79.4	48%	0.483	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-68.1	126.2	-178.7	-70.4	174.2	-175.6	150.3	0	110.6	G72 K203 E204 F205 Y206	G72-K74 PolarHBondContact O-N 3.26Å; K74-K203 PolarHBondContact NZ-O 3.43Å; K74-E204 PolarHBondContact NZ-O 2.86Å; K74-F205 WeakPolarHBondContact CB-O 3.44Å; K74-F205 PolarHBondContact N-O 3.34Å; K74-Y206 WeakPolarHBondContact CE-O 3.42Å; K74-Y206 PolarHBondContact NZ-O 3.43Å
75	T	60.4	Low	63.5	Low	98 Å²	98	79.9 Å²	79.9	60%	0.601	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-89.7	151.8	175.5	74.8	0	0	0	0	110.1	L73 I84	L73-T75 PolarHBondContact O-N 3.23Å; T75-I84 HydrophobicContact CG2-CD1 3.3Å
76	S	52.6	Low	62.9	Low	78 Å²	78	80 Å²	80	55%	0.545	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-78.3	133.4	167.3	-175.4	0	0	0	0	108.7	F78	S76-F78 PolarHBondContact O-N 2.77Å
77	P	46.8	Very low	62.2	Low	111 Å²	111	81.9 Å²	81.9	72%	0.721	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	1.2	-173.9	26.9	-34.8	0	0	0	115.3
78	F	44.3	Very low	61.7	Low	177 Å²	177	82.5 Å²	82.5	78%	0.776	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-0.9	-175.9	-78.6	-79.2	0	0	0	115.7	S76 F80	S76-F78 PolarHBondContact O-N 2.77Å; F78-F80 PolarHBondContact O-N 3.23Å
79	S	41	Very low	61.2	Low	85 Å²	85	82.8 Å²	82.8	59%	0.594	42%	0.421	S	S	*	.			trans	-99.1	85.4	-179.9	-63.5	0	0	0	0	112.2
80	F	37.7	Very low	60.7	Low	179 Å²	179	82.9 Å²	82.9	79%	0.785	42%	0.422	S	S	*	.			trans	-68	129.2	164	-68.6	-91.6	0	0	0	109.4	F78	F78-F80 PolarHBondContact O-N 3.23Å
81	Y	33.9	Very low	60.4	Low	226 Å²	226	82.7 Å²	82.7	89%	0.886	43%	0.425	S	S	*	.	S	Bend	trans	61.8	69.8	176.8	-59.8	-85.4	0	0	0	117.7
82	Q	42.3	Very low	60.1	Low	165 Å²	165	88.4 Å²	88.4	77%	0.771	45%	0.45	S	S	*	.			trans	-151.8	128.9	153.8	-111.5	164.4	15.5	0	0	111.8	I84	Q82-I84 PolarHBondContact O-N 3.02Å
83	N	49.7	Very low	60.3	Low	140 Å²	140	87.6 Å²	87.6	75%	0.749	44%	0.441	S	S	*	.			trans	-67.6	117.6	172.6	-80.9	-25.1	0	0	0	109.3	S85	N83-S85 PolarHBondContact O-N 2.85Å; N83-S85 VanDerWaalsContact O-N 3.16Å
84	I	56.5	Low	60	Low	72 Å²	72	86.6 Å²	86.6	37%	0.369	44%	0.436	S	S	.	.			trans	-72.2	114.2	-175.3	-60.6	169.5	0	0	0	109.9	L73 T75 Q82	L73-I84 HydrophobicContact CD2-CG2 3.62Å; T75-I84 HydrophobicContact CG2-CD1 3.3Å; Q82-I84 PolarHBondContact O-N 3.02Å
85	S	63.9	Low	60.1	Low	17 Å²	17	88.3 Å²	88.3	12%	0.119	45%	0.451	C	S	.	.			trans	-74.1	142.5	174.6	71.4	0	0	0	0	111.6	N83 Y87 S88 N178	N83-S85 PolarHBondContact O-N 2.85Å; N83-S85 VanDerWaalsContact O-N 3.16Å; S85-Y87 PolarHBondContact O-N 3.47Å; S85-S88 WeakPolarHBondContact O-CB 3.42Å; S85-S88 PolarHBondContact O-N 2.77Å; S85-S88 WeakPolarHBondContact OG-CB 3.05Å; S85-S88 PolarHBondContact OG-N 3.34Å; S85-S88 PolarHBondContact OG-OG 3.01Å; S85-N178 WeakPolarHBondContact CB-OD1 3.49Å
86	T	72.9	Confident	60.6	Low	2 Å²	2	88 Å²	88	1%	0.012	44%	0.442	C	S	.	.	S	Bend	trans	-67	-21.8	165.7	55.7	0	0	0	0	111.5	H66 L69 R70 S88 L89 L90 N178 W181	H66-T86 VanDerWaalsContact CE1-CG2 3.5Å; H66-T86 WeakPolarHBondContact CE1-CG2 3.46Å; H66-T86 PolarHBondContact CE1-OG1 3.49Å; H66-T86 VanDerWaalsContact CE1-OG1 3.25Å; H66-T86 PolarHBondContact ND1-OG1 3.15Å; H66-T86 VanDerWaalsContact ND1-OG1 3.11Å; L69-T86 HydrophobicContact CB-CG2 4.01Å; R70-T86 HydrophobicContact CB-CG2 4.44Å; T86-S88 VanDerWaalsContact C-N 3.33Å; T86-S88 PolarHBondContact O-N 2.88Å; T86-L89 WeakPolarHBondContact O-CB 3.45Å; T86-L89 PolarHBondContact O-N 3.13Å; T86-L90 PolarHBondContact O-N 2.92Å; T86-L90 VanDerWaalsContact O-N 3.11Å; T86-N178 PolarHBondContact OG1-O 3.36Å; T86-W181 PolarHBondContact OG1-NE1 3.37Å
87	Y	73.8	Confident	61.7	Low	50 Å²	50	84.7 Å²	84.7	20%	0.196	42%	0.419	C	S	.	.	H	α-helix	trans	-60.6	-39.2	170.9	-172.3	-99	0	0	0	112.2	S85 L89 L90 H91 F107 W181	S85-Y87 PolarHBondContact O-N 3.47Å; Y87-L89 PolarHBondContact O-N 3.3Å; Y87-L90 WeakPolarHBondContact O-CB 3.49Å; Y87-L90 PolarHBondContact O-N 3.39Å; Y87-L90 VanDerWaalsContact O-N 3.14Å; Y87-H91 PolarHBondContact O-N 3.26Å; Y87-F107 HydrophobicContact CE2-CD1 4.07Å; Y87-F107 HydrophobicContact CE2-CE1 4.02Å; Y87-W181 HydrophobicContact CD2-CB 4.21Å; Y87-W181 AromaticContact CD2-CD1 3.92Å; Y87-W181 HydrophobicContact CD2-CG 4.2Å
88	S	71.8	Confident	63.2	Low	58 Å²	58	85.6 Å²	85.6	41%	0.406	41%	0.414	S	S	.	.	H	α-helix	trans	-64	-22.9	172.1	-60.9	0	0	0	0	113.7	S85 T86 K92	S85-S88 WeakPolarHBondContact O-CB 3.42Å; S85-S88 PolarHBondContact O-N 2.77Å; S85-S88 WeakPolarHBondContact OG-CB 3.05Å; S85-S88 PolarHBondContact OG-N 3.34Å; S85-S88 PolarHBondContact OG-OG 3.01Å; T86-S88 VanDerWaalsContact C-N 3.33Å; T86-S88 PolarHBondContact O-N 2.88Å; S88-K92 WeakPolarHBondContact O-CG 3.23Å; S88-K92 PolarHBondContact O-N 3Å
89	L	74	Confident	64.7	Low	6 Å²	6	78.5 Å²	78.5	3%	0.031	39%	0.385	C	S	.	.	H	α-helix	trans	-77.7	-41.9	171.6	179.1	64.6	0	0	0	110.8	L73 T86 Y87 H91 K92 I93 I198 F205 Y206	L73-L89 HydrophobicContact CD1-CD1 4.19Å; L73-L89 HydrophobicContact CD1-CD2 4.13Å; T86-L89 WeakPolarHBondContact O-CB 3.45Å; T86-L89 PolarHBondContact O-N 3.13Å; Y87-L89 PolarHBondContact O-N 3.3Å; L89-H91 VanDerWaalsContact C-N 3.3Å; L89-H91 PolarHBondContact O-N 3.43Å; L89-K92 PolarHBondContact O-N 3.18Å; L89-K92 VanDerWaalsContact O-N 3.08Å; L89-I93 HydrophobicContact CD1-CD1 3.84Å; L89-I93 HydrophobicContact CD1-CG1 4.43Å; L89-I93 HydrophobicContact CG-CD1 3.91Å; L89-I93 WeakPolarHBondContact O-CG1 3.15Å; L89-I93 PolarHBondContact O-N 2.83Å; L89-I198 HydrophobicContact CD2-CD1 4.32Å; L89-I198 HydrophobicContact CD2-CG1 4.46Å; L89-I198 HydrophobicContact CD2-CG2 4.23Å; L89-F205 HydrophobicContact CD1-CB 4.01Å; L89-F205 HydrophobicContact CD1-CD1 3.87Å; L89-F205 HydrophobicContact CD1-CD2 4.27Å; L89-F205 HydrophobicContact CD1-CE1 4.47Å; L89-F205 HydrophobicContact CD1-CG 3.76Å; L89-Y206 HydrophobicContact CD2-CE2 4.13Å; L89-Y206 WeakPolarHBondContact CD2-OH 3.13Å
90	L	75	Confident	66.3	Low	4 Å²	4	74.5 Å²	74.5	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-55.9	-45.9	174.5	-168.3	73.1	0	0	0	111	T86 Y87 K92 I93 S94 I103 I104 W181 I194	T86-L90 PolarHBondContact O-N 2.92Å; T86-L90 VanDerWaalsContact O-N 3.11Å; Y87-L90 WeakPolarHBondContact O-CB 3.49Å; Y87-L90 PolarHBondContact O-N 3.39Å; Y87-L90 VanDerWaalsContact O-N 3.14Å; L90-K92 VanDerWaalsContact C-N 3.27Å; L90-K92 PolarHBondContact O-N 3.49Å; L90-I93 PolarHBondContact O-N 3.19Å; L90-I93 VanDerWaalsContact O-N 3.07Å; L90-S94 PolarHBondContact O-N 2.76Å; L90-I103 HydrophobicContact CD2-CG2 4.33Å; L90-I104 HydrophobicContact CD2-CD1 4.3Å; L90-I104 HydrophobicContact CD2-CG1 3.87Å; L90-I104 HydrophobicContact CG-CD1 4.13Å; L90-I104 HydrophobicContact CG-CG1 4.24Å; L90-W181 HydrophobicContact CD1-CE3 4.03Å; L90-W181 HydrophobicContact CD1-CH2 4.46Å; L90-W181 HydrophobicContact CD1-CZ3 3.93Å; L90-W181 HydrophobicContact CD2-CB 4.28Å; L90-W181 HydrophobicContact CD2-CD2 3.98Å; L90-W181 HydrophobicContact CD2-CE3 3.9Å; L90-W181 HydrophobicContact CD2-CG 4.17Å; L90-W181 HydrophobicContact CG-CE3 4.49Å; L90-I194 HydrophobicContact CD1-CD1 4.44Å; L90-I194 HydrophobicContact CD1-CG2 3.92Å
91	H	73.8	Confident	68.2	Low	99 Å²	99	69.4 Å²	69.4	46%	0.458	34%	0.337	S	S	.	.	H	α-helix	trans	-70.5	-16.8	179	-155.7	-51.8	0	0	0	114.1	Y87 L89 S94	Y87-H91 PolarHBondContact O-N 3.26Å; L89-H91 VanDerWaalsContact C-N 3.3Å; L89-H91 PolarHBondContact O-N 3.43Å; H91-S94 PolarHBondContact O-OG 3.17Å; H91-S94 VanDerWaalsContact O-OG 3.07Å
92	K	74	Confident	70.2	Confident	131 Å²	131	63.4 Å²	63.4	57%	0.57	32%	0.316	S	S	*	.	H	α-helix	trans	-81.8	-25.3	169.3	-75.5	173.2	-178.8	178.9	0	112.7	S88 L89 L90 F205	S88-K92 WeakPolarHBondContact O-CG 3.23Å; S88-K92 PolarHBondContact O-N 3Å; L89-K92 PolarHBondContact O-N 3.18Å; L89-K92 VanDerWaalsContact O-N 3.08Å; L90-K92 VanDerWaalsContact C-N 3.27Å; L90-K92 PolarHBondContact O-N 3.49Å; K92-F205 HydrophobicContact CB-CE1 4.3Å; K92-F205 HydrophobicContact CD-CE1 4.4Å
93	I	75.3	Confident	71.8	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-96.4	-18.7	-176	-67.4	173.3	0	0	0	111.9	L89 L90 N95 Q96 C97 I198 F205	L89-I93 HydrophobicContact CD1-CD1 3.84Å; L89-I93 HydrophobicContact CD1-CG1 4.43Å; L89-I93 HydrophobicContact CG-CD1 3.91Å; L89-I93 WeakPolarHBondContact O-CG1 3.15Å; L89-I93 PolarHBondContact O-N 2.83Å; L90-I93 PolarHBondContact O-N 3.19Å; L90-I93 VanDerWaalsContact O-N 3.07Å; I93-N95 VanDerWaalsContact C-N 3.26Å; I93-N95 PolarHBondContact O-N 3.34Å; I93-N95 VanDerWaalsContact O-N 3.16Å; I93-Q96 WeakPolarHBondContact O-CA 3.41Å; I93-Q96 PolarHBondContact O-N 3.45Å; I93-C97 HydrophobicContact CG2-CB 3.76Å; I93-C97 PolarHBondContact O-N 2.94Å; I93-C97 VanDerWaalsContact O-N 3.11Å; I93-I198 HydrophobicContact CD1-CB 4.44Å; I93-I198 HydrophobicContact CD1-CG1 3.51Å; I93-F205 HydrophobicContact CD1-CE2 4.45Å; I93-F205 HydrophobicContact CG1-CE2 4.29Å; I93-F205 HydrophobicContact CG1-CZ 4.38Å
94	S	71.6	Confident	73	Confident	8 Å²	8	49.3 Å²	49.3	6%	0.056	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-46.9	-43.9	177.7	64.1	0	0	0	0	114.1	L90 H91 Q96 S100	L90-S94 PolarHBondContact O-N 2.76Å; H91-S94 PolarHBondContact O-OG 3.17Å; H91-S94 VanDerWaalsContact O-OG 3.07Å; S94-Q96 PolarHBondContact O-N 3.2Å; S94-Q96 VanDerWaalsContact O-N 3.08Å; S94-S100 WeakPolarHBondContact CA-OG 3.05Å
95	N	70.7	Confident	73.9	Confident	148 Å²	148	49.4 Å²	49.4	79%	0.791	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-64.7	-10.3	178.7	-67.5	-15.5	0	0	0	114.5	I93	I93-N95 VanDerWaalsContact C-N 3.26Å; I93-N95 PolarHBondContact O-N 3.34Å; I93-N95 VanDerWaalsContact O-N 3.16Å
96	Q	70.4	Confident	74.1	Confident	91 Å²	91	53 Å²	53	43%	0.425	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-128.2	-9.5	-170.7	-62.3	174.6	-13.3	0	0	113.3	I93 S94 H197 R201	I93-Q96 WeakPolarHBondContact O-CA 3.41Å; I93-Q96 PolarHBondContact O-N 3.45Å; S94-Q96 PolarHBondContact O-N 3.2Å; S94-Q96 VanDerWaalsContact O-N 3.08Å; Q96-H197 PolarHBondContact O-CE1 3.01Å; Q96-H197 VanDerWaalsContact O-CE1 3.27Å; Q96-R201 VanDerWaalsContact OE1-NE 3.09Å
97	C	76.1	Confident	73.9	Confident	9 Å²	9	54 Å²	54	6%	0.061	27%	0.265	C	S	.	.			trans	-139.8	101.7	-173.3	-179.6	0	0	0	0	110.5	I93 T99 S100 L101	I93-C97 HydrophobicContact CG2-CB 3.76Å; I93-C97 PolarHBondContact O-N 2.94Å; I93-C97 VanDerWaalsContact O-N 3.11Å; C97-T99 PolarHBondContact O-N 3.18Å; C97-T99 PolarHBondContact SG-OG1 3.37Å; C97-S100 WeakPolarHBondContact CB-OG 3.32Å; C97-S100 PolarHBondContact O-N 3.43Å; C97-S100 PolarHBondContact O-OG 2.93Å; C97-L101 PolarHBondContact O-N 3.31Å; C97-L101 VanDerWaalsContact O-N 3.14Å
98	E	78.6	Confident	73.6	Confident	130 Å²	130	55.3 Å²	55.3	61%	0.607	27%	0.273	S	S	*	.	H	α-helix	trans	-55.9	-34.6	-175.9	-165.3	-162.9	147.7	0	0	113.2	L101 K102	E98-L101 PolarHBondContact O-N 3.17Å; E98-K102 WeakPolarHBondContact O-CG 3.15Å; E98-K102 PolarHBondContact O-N 2.88Å; E98-K102 WeakPolarHBondContact OE1-CE 3.35Å; E98-K102 IonicContact OE1-NZ 3.14Å; E98-K102 PolarHBondContact OE1-NZ 3.43Å
99	T	76.4	Confident	73.2	Confident	28 Å²	28	57.2 Å²	57.2	17%	0.172	28%	0.278	C	S	.	.	H	α-helix	trans	-67.3	-35.5	175.4	40	0	0	0	0	112.8	C97 K102 I103 L190 T193	C97-T99 PolarHBondContact O-N 3.18Å; C97-T99 PolarHBondContact SG-OG1 3.37Å; T99-K102 PolarHBondContact O-N 3.49Å; T99-I103 PolarHBondContact O-N 3.39Å; T99-I103 VanDerWaalsContact O-N 3.15Å; T99-L190 HydrophobicContact CG2-CD2 4.02Å; T99-T193 HydrophobicContact CG2-CG2 4.29Å
100	S	75	Confident	72.4	Confident	0 Å²	0	61 Å²	61	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-69.9	-35.9	172.9	67.1	0	0	0	0	112.5	S94 C97 I103 I104	S94-S100 WeakPolarHBondContact CA-OG 3.05Å; C97-S100 WeakPolarHBondContact CB-OG 3.32Å; C97-S100 PolarHBondContact O-N 3.43Å; C97-S100 PolarHBondContact O-OG 2.93Å; S100-I103 PolarHBondContact O-N 2.94Å; S100-I104 WeakPolarHBondContact O-CG1 3.27Å; S100-I104 PolarHBondContact O-N 3.19Å
101	L	76.6	Confident	71.4	Confident	72 Å²	72	63.6 Å²	63.6	38%	0.377	30%	0.304	S	S	.	.	H	α-helix	trans	-65.7	-39.7	172.3	-173.8	65.6	0	0	0	111.9	C97 E98 I103 I104 N105	C97-L101 PolarHBondContact O-N 3.31Å; C97-L101 VanDerWaalsContact O-N 3.14Å; E98-L101 PolarHBondContact O-N 3.17Å; L101-I103 VanDerWaalsContact C-N 3.31Å; L101-I103 PolarHBondContact O-N 3.14Å; L101-I104 PolarHBondContact O-N 3.19Å; L101-N105 WeakPolarHBondContact O-CB 3.27Å; L101-N105 PolarHBondContact O-N 3.24Å; L101-N105 PolarHBondContact O-OD1 3.22Å
102	K	76.9	Confident	70.2	Confident	101 Å²	101	62.6 Å²	62.6	44%	0.439	30%	0.302	S	S	.	.	H	α-helix	trans	-59.3	-39.9	173.3	-77.7	170.6	-177.5	166.3	0	112.3	E98 T99 K106	E98-K102 WeakPolarHBondContact O-CG 3.15Å; E98-K102 PolarHBondContact O-N 2.88Å; E98-K102 WeakPolarHBondContact OE1-CE 3.35Å; E98-K102 IonicContact OE1-NZ 3.14Å; E98-K102 PolarHBondContact OE1-NZ 3.43Å; T99-K102 PolarHBondContact O-N 3.49Å; K102-K106 WeakPolarHBondContact O-CB 3.45Å; K102-K106 WeakPolarHBondContact O-CG 3.29Å; K102-K106 PolarHBondContact O-N 3.03Å
103	I	74.8	Confident	68.9	Low	1 Å²	1	61.8 Å²	61.8	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-67.5	-48.8	174.6	-67.9	-166.6	0	0	0	111.2	L90 T99 S100 L101 N105 K106 F107 F184 A185 L190 I194	L90-I103 HydrophobicContact CD2-CG2 4.33Å; T99-I103 PolarHBondContact O-N 3.39Å; T99-I103 VanDerWaalsContact O-N 3.15Å; S100-I103 PolarHBondContact O-N 2.94Å; L101-I103 VanDerWaalsContact C-N 3.31Å; L101-I103 PolarHBondContact O-N 3.14Å; I103-N105 VanDerWaalsContact C-N 3.35Å; I103-N105 PolarHBondContact O-N 3.1Å; I103-K106 PolarHBondContact O-N 3.42Å; I103-F107 WeakPolarHBondContact O-CB 3.42Å; I103-F107 PolarHBondContact O-N 3.44Å; I103-F184 HydrophobicContact CG2-CD1 4.13Å; I103-A185 HydrophobicContact CD1-CB 3.36Å; I103-L190 HydrophobicContact CD1-CB 4.04Å; I103-L190 HydrophobicContact CD1-CD1 4.16Å; I103-L190 HydrophobicContact CG1-CD1 3.83Å; I103-I194 HydrophobicContact CD1-CD1 3.36Å; I103-I194 HydrophobicContact CG1-CD1 4.16Å
104	I	75.2	Confident	67.6	Low	7 Å²	7	63.1 Å²	63.1	4%	0.036	31%	0.306	C	S	.	.	H	α-helix	trans	-57.3	-49.2	179.3	-70	164.1	0	0	0	110.3	L90 S100 L101 K106 F107 E108	L90-I104 HydrophobicContact CD2-CD1 4.3Å; L90-I104 HydrophobicContact CD2-CG1 3.87Å; L90-I104 HydrophobicContact CG-CD1 4.13Å; L90-I104 HydrophobicContact CG-CG1 4.24Å; S100-I104 WeakPolarHBondContact O-CG1 3.27Å; S100-I104 PolarHBondContact O-N 3.19Å; L101-I104 PolarHBondContact O-N 3.19Å; I104-K106 PolarHBondContact O-N 2.91Å; I104-F107 PolarHBondContact O-N 2.78Å; I104-F107 VanDerWaalsContact O-N 3.15Å; I104-E108 HydrophobicContact CG2-CG 4.22Å; I104-E108 WeakPolarHBondContact CG2-OE1 3.44Å; I104-E108 WeakPolarHBondContact O-CB 3.12Å; I104-E108 WeakPolarHBondContact O-CG 3.27Å; I104-E108 PolarHBondContact O-N 3.41Å
105	N	74.3	Confident	66.1	Low	75 Å²	75	68 Å²	68	40%	0.401	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-41.5	178.6	-65.8	1.2	0	0	0	112.4	L101 I103 N109	L101-N105 WeakPolarHBondContact O-CB 3.27Å; L101-N105 PolarHBondContact O-N 3.24Å; L101-N105 PolarHBondContact O-OD1 3.22Å; I103-N105 VanDerWaalsContact C-N 3.35Å; I103-N105 PolarHBondContact O-N 3.1Å; N105-N109 VanDerWaalsContact O-CB 3.22Å; N105-N109 WeakPolarHBondContact O-CB 3.49Å; N105-N109 PolarHBondContact O-N 3.36Å; N105-N109 PolarHBondContact O-ND2 3.01Å
106	K	68.6	Low	64.7	Low	92 Å²	92	65.1 Å²	65.1	40%	0.4	31%	0.313	S	S	.	.	H	α-helix	trans	-65.6	-38.7	174.9	-82	-173	168.7	-166.3	0	112.2	K102 I103 I104 R110 F184 E188	K102-K106 WeakPolarHBondContact O-CB 3.45Å; K102-K106 WeakPolarHBondContact O-CG 3.29Å; K102-K106 PolarHBondContact O-N 3.03Å; I103-K106 PolarHBondContact O-N 3.42Å; I104-K106 PolarHBondContact O-N 2.91Å; K106-R110 WeakPolarHBondContact O-CB 3.38Å; K106-R110 WeakPolarHBondContact O-CG 3.27Å; K106-R110 PolarHBondContact O-N 2.93Å; K106-F184 HydrophobicContact CB-CE1 3.72Å; K106-F184 HydrophobicContact CB-CZ 3.88Å; K106-F184 HydrophobicContact CD-CE1 3.9Å; K106-F184 HydrophobicContact CD-CZ 4Å; K106-F184 HydrophobicContact CG-CE1 4.47Å; K106-E188 IonicContact NZ-OE1 2.77Å; K106-E188 PolarHBondContact NZ-OE1 3.43Å; K106-E188 IonicContact NZ-OE2 3.38Å; K106-E188 PolarHBondContact NZ-OE2 3.46Å
107	F	68.7	Low	63.3	Low	23 Å²	23	63.1 Å²	63.1	10%	0.101	31%	0.309	C	S	.	.	H	α-helix	trans	-70.2	-48.8	-178.5	-168.6	-97.5	0	0	0	111.2	Y87 I103 I104 R110 F111 E180	Y87-F107 HydrophobicContact CE2-CD1 4.07Å; Y87-F107 HydrophobicContact CE2-CE1 4.02Å; I103-F107 WeakPolarHBondContact O-CB 3.42Å; I103-F107 PolarHBondContact O-N 3.44Å; I104-F107 PolarHBondContact O-N 2.78Å; I104-F107 VanDerWaalsContact O-N 3.15Å; F107-R110 PolarHBondContact O-N 3.4Å; F107-F111 HydrophobicContact CD1-CD2 4.15Å; F107-F111 HydrophobicContact CD1-CE2 4.29Å; F107-F111 AromaticContact CE1-CD2 3.91Å; F107-F111 HydrophobicContact CE1-CD2 3.91Å; F107-F111 AromaticContact CE1-CE2 3.63Å; F107-F111 HydrophobicContact CE1-CE2 3.63Å; F107-F111 HydrophobicContact CE1-CZ 4.29Å; F107-F111 HydrophobicContact CE2-CD2 4.49Å; F107-F111 AromaticContact CE2-CE2 3.91Å; F107-F111 HydrophobicContact CE2-CE2 3.91Å; F107-F111 HydrophobicContact CZ-CD2 4.09Å; F107-F111 AromaticContact CZ-CE2 3.41Å; F107-F111 HydrophobicContact CZ-CE2 3.41Å; F107-F111 VanDerWaalsContact CZ-CE2 3.41Å; F107-F111 HydrophobicContact CZ-CZ 4.08Å; F107-F111 WeakPolarHBondContact O-CD2 3.46Å; F107-F111 PolarHBondContact O-N 3.08Å; F107-E180 HydrophobicContact CE2-CB 3.81Å; F107-E180 HydrophobicContact CZ-CB 3.98Å
108	E	68.2	Low	61.5	Low	77 Å²	77	70.3 Å²	70.3	36%	0.36	34%	0.342	S	S	.	.	H	α-helix	trans	-62.7	-41.8	175	-71.5	179.7	177	0	0	111.8	I104 F111 N112	I104-E108 HydrophobicContact CG2-CG 4.22Å; I104-E108 WeakPolarHBondContact CG2-OE1 3.44Å; I104-E108 WeakPolarHBondContact O-CB 3.12Å; I104-E108 WeakPolarHBondContact O-CG 3.27Å; I104-E108 PolarHBondContact O-N 3.41Å; E108-F111 PolarHBondContact O-N 3.4Å; E108-N112 VanDerWaalsContact O-CB 3.3Å; E108-N112 WeakPolarHBondContact O-CB 3.37Å; E108-N112 VanDerWaalsContact O-CG 3.24Å; E108-N112 PolarHBondContact O-N 2.82Å; E108-N112 PolarHBondContact O-ND2 3.01Å
109	N	63.2	Low	59.5	Low	99 Å²	99	67.1 Å²	67.1	53%	0.529	33%	0.333	S	S	.	.	H	α-helix	trans	-62.9	-44.1	174.7	-73.1	-18.3	0	0	0	112	N105 F111 N112 E113	N105-N109 VanDerWaalsContact O-CB 3.22Å; N105-N109 WeakPolarHBondContact O-CB 3.49Å; N105-N109 PolarHBondContact O-N 3.36Å; N105-N109 PolarHBondContact O-ND2 3.01Å; N109-F111 VanDerWaalsContact C-N 3.33Å; N109-F111 PolarHBondContact O-N 3.14Å; N109-N112 PolarHBondContact O-N 3.25Å; N109-E113 PolarHBondContact O-N 3.33Å
110	R	57.4	Low	57.4	Low	84 Å²	84	70.1 Å²	70.1	32%	0.317	35%	0.349	S	S	.	.	H	α-helix	trans	-63.2	-36.1	175.2	-81.5	-173.7	170.7	-141.5	-15.4	112.5	K106 F107 I114 E163 Y167	K106-R110 WeakPolarHBondContact O-CB 3.38Å; K106-R110 WeakPolarHBondContact O-CG 3.27Å; K106-R110 PolarHBondContact O-N 2.93Å; F107-R110 PolarHBondContact O-N 3.4Å; R110-I114 WeakPolarHBondContact O-CD1 3.46Å; R110-I114 WeakPolarHBondContact O-CG1 3.37Å; R110-E163 IonicContact CZ-OE1 2.59Å; R110-E163 IonicContact CZ-OE2 3.49Å; R110-E163 IonicContact NH1-OE1 2.6Å; R110-E163 PolarHBondContact NH1-OE1 2.9Å; R110-E163 IonicContact NH2-OE1 3.23Å; R110-E163 PolarHBondContact NH2-OE1 3.39Å; R110-E163 IonicContact NH2-OE2 2.94Å; R110-E163 PolarHBondContact NH2-OE2 2.85Å; R110-Y167 PolarHBondContact NH1-OH 3.17Å
111	F	53.9	Low	55.4	Low	60 Å²	60	78 Å²	78	26%	0.263	39%	0.39	S	S	.	.	H	α-helix	trans	-70	-45	174.2	-96.5	-104.7	0	0	0	112.4	F107 E108 N109 E113 I114 E115 R171	F107-F111 HydrophobicContact CD1-CD2 4.15Å; F107-F111 HydrophobicContact CD1-CE2 4.29Å; F107-F111 AromaticContact CE1-CD2 3.91Å; F107-F111 HydrophobicContact CE1-CD2 3.91Å; F107-F111 AromaticContact CE1-CE2 3.63Å; F107-F111 HydrophobicContact CE1-CE2 3.63Å; F107-F111 HydrophobicContact CE1-CZ 4.29Å; F107-F111 HydrophobicContact CE2-CD2 4.49Å; F107-F111 AromaticContact CE2-CE2 3.91Å; F107-F111 HydrophobicContact CE2-CE2 3.91Å; F107-F111 HydrophobicContact CZ-CD2 4.09Å; F107-F111 AromaticContact CZ-CE2 3.41Å; F107-F111 HydrophobicContact CZ-CE2 3.41Å; F107-F111 VanDerWaalsContact CZ-CE2 3.41Å; F107-F111 HydrophobicContact CZ-CZ 4.08Å; F107-F111 WeakPolarHBondContact O-CD2 3.46Å; F107-F111 PolarHBondContact O-N 3.08Å; E108-F111 PolarHBondContact O-N 3.4Å; N109-F111 VanDerWaalsContact C-N 3.33Å; N109-F111 PolarHBondContact O-N 3.14Å; F111-E113 PolarHBondContact O-N 2.94Å; F111-I114 WeakPolarHBondContact O-CB 3.48Å; F111-I114 PolarHBondContact O-N 3.18Å; F111-E115 PolarHBondContact O-N 3.39Å; F111-R171 VanDerWaalsContact CD1-NH2 3.33Å
112	N	47.6	Very low	53.3	Low	78 Å²	78	78.3 Å²	78.3	42%	0.417	40%	0.399	S	S	.	.	H	α-helix	trans	-67.1	-31.9	-179	-73.3	-30.1	0	0	0	112.9	E108 N109 I114 N116	E108-N112 VanDerWaalsContact O-CB 3.3Å; E108-N112 WeakPolarHBondContact O-CB 3.37Å; E108-N112 VanDerWaalsContact O-CG 3.24Å; E108-N112 PolarHBondContact O-N 2.82Å; E108-N112 PolarHBondContact O-ND2 3.01Å; N109-N112 PolarHBondContact O-N 3.25Å; N112-I114 PolarHBondContact O-N 3.38Å; N112-N116 VanDerWaalsContact O-CB 3.29Å; N112-N116 WeakPolarHBondContact O-CB 3.49Å; N112-N116 PolarHBondContact O-N 3.02Å; N112-N116 PolarHBondContact O-ND2 3.48Å
113	E	48.4	Very low	51.1	Low	113 Å²	113	82.5 Å²	82.5	53%	0.528	42%	0.42	S	S	.	.	H	α-helix	trans	-66.1	-25.6	171.9	-77.9	-172	-162	0	0	112.8	N109 F111 S117 K160	N109-E113 PolarHBondContact O-N 3.33Å; F111-E113 PolarHBondContact O-N 2.94Å; E113-S117 PolarHBondContact O-OG 3.17Å; E113-K160 IonicContact OE2-NZ 3.75Å
114	I	46.7	Very low	49.1	Very low	29 Å²	29	90.9 Å²	90.9	15%	0.149	46%	0.457	C	S	.	.	H	α-helix	trans	-80.2	-44.8	178.7	-66	169.2	0	0	0	110.7	R110 F111 N112 S117 H118 K164	R110-I114 WeakPolarHBondContact O-CD1 3.46Å; R110-I114 WeakPolarHBondContact O-CG1 3.37Å; F111-I114 WeakPolarHBondContact O-CB 3.48Å; F111-I114 PolarHBondContact O-N 3.18Å; N112-I114 PolarHBondContact O-N 3.38Å; I114-S117 PolarHBondContact O-OG 3.26Å; I114-H118 PolarHBondContact O-CD2 2.91Å; I114-H118 VanDerWaalsContact O-CD2 3.3Å; I114-K164 HydrophobicContact CG1-CG 4.26Å
115	E	39.9	Very low	46.9	Very low	110 Å²	110	100.4 Å²	100.4	51%	0.514	50%	0.498	S	S	.	.	H	α-helix	trans	-76.4	-37	-178.9	-67.6	-173.9	170.7	0	0	113.2	F111 S117 H118 S119	F111-E115 PolarHBondContact O-N 3.39Å; E115-S117 VanDerWaalsContact C-N 3.27Å; E115-S117 PolarHBondContact O-N 2.92Å; E115-H118 PolarHBondContact O-N 3.06Å; E115-S119 PolarHBondContact O-N 3.42Å; E115-S119 PolarHBondContact O-OG 3.27Å
116	N	41.7	Very low	44.8	Very low	89 Å²	89	103.8 Å²	103.8	48%	0.476	52%	0.516	S	S	.	.	H	α-helix	trans	-72	-17.9	177.1	-72.4	-67.4	0	0	0	113.5	N112 N120	N112-N116 VanDerWaalsContact O-CB 3.29Å; N112-N116 WeakPolarHBondContact O-CB 3.49Å; N112-N116 PolarHBondContact O-N 3.02Å; N112-N116 PolarHBondContact O-ND2 3.48Å; N116-N120 WeakPolarHBondContact O-CB 3.46Å; N116-N120 PolarHBondContact O-ND2 3.06Å
117	S	41.1	Very low	43.2	Very low	49 Å²	49	108.5 Å²	108.5	34%	0.343	54%	0.539	S	S	.	.	H	α-helix	trans	-88.3	-11.6	172.2	53.7	0	0	0	0	114.1	E113 I114 E115 K164	E113-S117 PolarHBondContact O-OG 3.17Å; I114-S117 PolarHBondContact O-OG 3.26Å; E115-S117 VanDerWaalsContact C-N 3.27Å; E115-S117 PolarHBondContact O-N 2.92Å; S117-K164 PolarHBondContact OG-NZ 3.11Å
118	H	38.5	Very low	41.5	Very low	160 Å²	160	115 Å²	115	74%	0.741	57%	0.569	S	S	*	*	H	α-helix	trans	-94.6	-12.7	171.9	-80.8	-60.3	0	0	0	114.4	I114 E115	I114-H118 PolarHBondContact O-CD2 2.91Å; I114-H118 VanDerWaalsContact O-CD2 3.3Å; E115-H118 PolarHBondContact O-N 3.06Å
119	S	37.1	Very low	39.9	Very low	62 Å²	62	118.9 Å²	118.9	43%	0.434	59%	0.587	S	S	.	*	H	α-helix	trans	-107.2	-25.6	-178.8	45.7	0	0	0	0	114.7	E115 S122	E115-S119 PolarHBondContact O-N 3.42Å; E115-S119 PolarHBondContact O-OG 3.27Å; S119-S122 PolarHBondContact O-OG 3.29Å
120	N	32.1	Very low	38.6	Very low	92 Å²	92	121.4 Å²	121.4	49%	0.492	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.1	10.1	-173.2	-75.7	-74.8	0	0	0	116.1	N116	N116-N120 WeakPolarHBondContact O-CB 3.46Å; N116-N120 PolarHBondContact O-ND2 3.06Å
121	N	32.3	Very low	37.6	Very low	164 Å²	164	125.6 Å²	125.6	88%	0.877	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	8.6	171.8	-81.8	-12.1	0	0	0	113.4
122	S	32.6	Very low	36.7	Very low	79 Å²	79	127 Å²	127	55%	0.552	63%	0.634	S	S	*	*	S	Bend	trans	-121.5	145.2	163.7	45.1	0	0	0	0	108.5	S119	S119-S122 PolarHBondContact O-OG 3.29Å
123	E	31	Very low	36.1	Very low	190 Å²	190	130.4 Å²	130.4	89%	0.888	65%	0.647	S	S	*	*	S	Bend	trans	74.9	45.9	172.1	-49.7	-171	165.5	0	0	119.4
124	K	31.5	Very low	35.4	Very low	177 Å²	177	132.1 Å²	132.1	77%	0.77	65%	0.654	S	S	*	*			trans	-141.9	84.2	153.3	-74	-169.3	-178.6	164.8	0	113.5
125	F	29.5	Very low	34.8	Very low	206 Å²	206	137.7 Å²	137.7	90%	0.904	68%	0.68	S	S	*	*			trans	-175.9	100.1	146.7	-92.9	-62.4	0	0	0	109.7
126	N	30.2	Very low	34.4	Very low	147 Å²	147	138.6 Å²	138.6	79%	0.786	69%	0.688	S	S	*	*			trans	172.3	85.2	144.5	-91.8	-24.4	0	0	0	113.9
127	H	36	Very low	33.8	Very low	190 Å²	190	142.6 Å²	142.6	88%	0.88	70%	0.704	S	S	*	*			trans	-151.7	98	145.2	-85.7	-34.6	0	0	0	105.9
128	H	32.1	Very low	33.2	Very low	159 Å²	159	148.6 Å²	148.6	74%	0.736	73%	0.727	S	S	*	*				46.9	94	88.2	-88.6	61.9	0	0	0	114.5
129	H	35.4	Very low	32.8	Very low	160 Å²	160	150.2 Å²	150.2	74%	0.741	74%	0.735	S	S	*	*				-173.6	140.3	106.9	-99.9	4	0	0	0	114.7
130	H	35	Very low	32.3	Very low	152 Å²	152	156 Å²	156	70%	0.704	76%	0.755	S	S	*	*			trans	34.7	110	154.9	-62	-48.1	0	0	0	123.8
131	H	36.4	Very low	32.1	Very low	171 Å²	171	160.4 Å²	160.4	79%	0.792	77%	0.773	S	S	*	*				43.2	153.1	101.4	-93.4	-23	0	0	0	121.5
132	P	35.4	Very low	31.9	Very low	91 Å²	91	158 Å²	158	59%	0.591	77%	0.768	S	S	*	*			cis	-140.1	-168	-46.3	26.1	-1.5	0	0	0	114
133	H	34.2	Very low	31.7	Very low	149 Å²	149	160.3 Å²	160.3	69%	0.69	77%	0.774	S	S	*	*			trans	107.2	130.2	148.5	-81.8	-70.8	0	0	0	122
134	H	34.6	Very low	31.5	Very low	148 Å²	148	161.1 Å²	161.1	69%	0.685	78%	0.776	S	S	*	*			trans	66.9	145.2	157.6	-59.8	-51.7	0	0	0	117.7
135	Q	33.8	Very low	31.5	Very low	146 Å²	146	161.8 Å²	161.8	68%	0.682	78%	0.781	S	S	*	*			cis	-161.8	159.6	-5.2	-122.9	164.6	1.7	0	0	110.1
136	N	31.4	Very low	31.5	Very low	130 Å²	130	159.7 Å²	159.7	70%	0.695	77%	0.772	S	S	*	*			trans	63.3	115.8	163.1	-53.3	-17.8	0	0	0	117.1
137	Q	28.7	Very low	31.5	Very low	172 Å²	172	159.3 Å²	159.3	80%	0.804	77%	0.768	S	S	*	*				70.8	137.6	61.4	-70.2	-163.1	-2.7	0	0	115.9
138	Q	29.5	Very low	31.1	Very low	175 Å²	175	159.8 Å²	159.8	82%	0.818	77%	0.768	S	S	*	*			trans	78.9	92.2	171.4	-53.3	-177.3	11	0	0	117.8
139	Q	30.7	Very low	30.9	Very low	195 Å²	195	160.9 Å²	160.9	91%	0.911	77%	0.773	S	S	*	*				-174.5	99.6	107.1	-96.8	170.6	19.4	0	0	111
140	Q	26.3	Very low	30.6	Very low	183 Å²	183	162.8 Å²	162.8	86%	0.855	78%	0.775	S	S	*	*			trans	-84.8	169.1	155.1	-70.8	177.9	-11.5	0	0	108.8
141	Q	27.1	Very low	30.2	Very low	185 Å²	185	160.6 Å²	160.6	86%	0.864	78%	0.777	S	S	*	*			trans	75.9	85.5	178.6	-50.5	178.5	-0.6	0	0	116.3
142	S	27.9	Very low	30	Very low	112 Å²	112	160 Å²	160	78%	0.783	78%	0.775	S	S	*	*			trans	165.9	88.3	135.7	44.8	0	0	0	0	112.2
143	N	29.1	Very low	29.8	Very low	128 Å²	128	161.4 Å²	161.4	68%	0.684	78%	0.777	S	S	*	*			trans	-155.6	15.7	164.6	-102.9	-30.5	0	0	0	115.9	Q145	N143-Q145 PolarHBondContact O-N 3.18Å; N143-Q145 VanDerWaalsContact O-N 3.17Å
144	F	27.3	Very low	29.8	Very low	208 Å²	208	159.9 Å²	159.9	91%	0.912	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	15.4	-179.7	-115.7	-80.5	0	0	0	115
145	Q	30.5	Very low	29.8	Very low	191 Å²	191	159.8 Å²	159.8	89%	0.893	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.8	24.7	-171.6	-102.3	171	-17.6	0	0	114.7	N143	N143-Q145 PolarHBondContact O-N 3.18Å; N143-Q145 VanDerWaalsContact O-N 3.17Å
146	K	29.4	Very low	29.9	Very low	161 Å²	161	158.1 Å²	158.1	70%	0.7	77%	0.767	S	S	*	*			trans	-125.5	15.5	176.1	-74.7	-174.8	176.8	175.4	0	115.5	F148	K146-F148 VanDerWaalsContact C-N 3.32Å
147	I	30.3	Very low	30.2	Very low	140 Å²	140	159 Å²	159	72%	0.718	77%	0.765	S	S	*	*	S	Bend	trans	-83.3	-7.2	-180	-65.1	174.7	0	0	0	112.6
148	F	27.9	Very low	30.7	Very low	199 Å²	199	155.8 Å²	155.8	87%	0.873	75%	0.752	S	S	*	*	S	Bend	trans	-108.7	61.5	171.6	-74.2	-81.4	0	0	0	112.6	K146	K146-F148 VanDerWaalsContact C-N 3.32Å
149	H	28.2	Very low	31.2	Very low	182 Å²	182	151.6 Å²	151.6	84%	0.843	74%	0.735	S	S	*	*			trans	-161.4	10.1	159.1	-108.5	-64.9	0	0	0	115.6	S151	H149-S151 VanDerWaalsContact C-N 3.27Å; H149-S151 PolarHBondContact O-N 3.14Å; H149-S151 VanDerWaalsContact O-N 3.08Å
150	Y	28.3	Very low	31.8	Very low	201 Å²	201	147.6 Å²	147.6	79%	0.788	72%	0.715	S	S	*	*			trans	-86.8	59.2	176.3	-101	-89.8	0	0	0	112.7
151	S	27.3	Very low	32.6	Very low	105 Å²	105	144.4 Å²	144.4	73%	0.734	70%	0.7	S	S	*	*			trans	-118.4	82.6	171.1	170.7	0	0	0	0	109.9	H149	H149-S151 VanDerWaalsContact C-N 3.27Å; H149-S151 PolarHBondContact O-N 3.14Å; H149-S151 VanDerWaalsContact O-N 3.08Å
152	E	31.5	Very low	33.1	Very low	160 Å²	160	139.3 Å²	139.3	75%	0.748	68%	0.679	S	S	*	*	S	Bend	trans	-177.7	-33.7	151.8	-106.6	161.7	-176.3	0	0	112.7	N154	E152-N154 PolarHBondContact O-N 3.15Å
153	N	31.7	Very low	33.7	Very low	119 Å²	119	137 Å²	137	64%	0.636	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-5.5	-167.3	-73	-30	0	0	0	117.4
154	N	33.2	Very low	34.4	Very low	118 Å²	118	134.6 Å²	134.6	63%	0.631	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-11.1	-179.6	-96	-2.4	0	0	0	115.1	E152 N156 K157	E152-N154 PolarHBondContact O-N 3.15Å; N154-N156 PolarHBondContact O-N 3.24Å; N154-K157 PolarHBondContact O-N 2.9Å
155	K	35.3	Very low	35.2	Very low	146 Å²	146	129.9 Å²	129.9	64%	0.635	62%	0.618	S	S	*	*	H	α-helix	trans	-58.1	-50	175.9	-74.8	178.1	174.7	173.4	0	111.3	K157 I158 D159	K155-K157 PolarHBondContact O-N 3.05Å; K155-I158 PolarHBondContact O-N 2.93Å; K155-D159 PolarHBondContact O-N 3.17Å
156	N	36.2	Very low	35.7	Very low	110 Å²	110	122.3 Å²	122.3	59%	0.588	58%	0.582	S	S	*	*	H	α-helix	trans	-58	-10.3	-177.6	-58.2	-5.2	0	0	0	115.9	N154 K160	N154-N156 PolarHBondContact O-N 3.24Å; N156-K160 WeakPolarHBondContact O-CG 3.44Å
157	K	37.2	Very low	36.4	Very low	150 Å²	150	116.9 Å²	116.9	65%	0.652	56%	0.558	S	S	*	*	H	α-helix	trans	-98	-37.6	176.1	-152.5	-179	-178	-167.5	0	112	N154 K155	N154-K157 PolarHBondContact O-N 2.9Å; K155-K157 PolarHBondContact O-N 3.05Å
158	I	40.1	Very low	36.8	Very low	103 Å²	103	112.6 Å²	112.6	53%	0.528	54%	0.541	S	S	.	.	H	α-helix	trans	-71.7	-37.7	176.1	-63.7	169.7	0	0	0	110.4	K155 K160 E161 N162	K155-I158 PolarHBondContact O-N 2.93Å; I158-K160 VanDerWaalsContact C-N 3.3Å; I158-K160 PolarHBondContact O-N 3Å; I158-E161 PolarHBondContact O-N 2.86Å; I158-N162 PolarHBondContact O-N 2.94Å; I158-N162 PolarHBondContact O-ND2 3.16Å
159	D	39.5	Very low	37.4	Very low	87 Å²	87	110.6 Å²	110.6	47%	0.465	53%	0.531	S	S	.	.	H	α-helix	trans	-58.1	-43.8	176.1	-60.1	-31.8	0	0	0	111	K155 E161 N162 E163	K155-D159 PolarHBondContact O-N 3.17Å; D159-E161 PolarHBondContact O-N 3.27Å; D159-N162 PolarHBondContact O-N 3.2Å; D159-E163 WeakPolarHBondContact O-CG 3.24Å; D159-E163 PolarHBondContact O-N 2.95Å
160	K	42.5	Very low	37.9	Very low	112 Å²	112	104.1 Å²	104.1	49%	0.487	50%	0.503	S	S	.	.	H	α-helix	trans	-64.6	-32.8	179	-73.2	-171.5	173.3	-148.4	0	114.3	E113 N156 I158 K164	E113-K160 IonicContact OE2-NZ 3.75Å; N156-K160 WeakPolarHBondContact O-CG 3.44Å; I158-K160 VanDerWaalsContact C-N 3.3Å; I158-K160 PolarHBondContact O-N 3Å; K160-K164 VanDerWaalsContact O-CG 3.31Å; K160-K164 WeakPolarHBondContact O-CG 3.17Å; K160-K164 PolarHBondContact O-N 3.26Å
161	E	43.9	Very low	38.2	Very low	116 Å²	116	99.2 Å²	99.2	54%	0.542	48%	0.483	S	S	.	.	H	α-helix	trans	-80.6	-26.9	179	-71.4	-170.8	175.5	0	0	113	I158 D159 K165	I158-E161 PolarHBondContact O-N 2.86Å; D159-E161 PolarHBondContact O-N 3.27Å; E161-K165 PolarHBondContact O-N 2.7Å
162	N	38.1	Very low	38.5	Very low	77 Å²	77	102.4 Å²	102.4	41%	0.412	48%	0.484	S	S	.	.	H	α-helix	trans	-80.4	-37.3	174.8	-69.3	-42	0	0	0	111.9	I158 D159 K164 K165 F166	I158-N162 PolarHBondContact O-N 2.94Å; I158-N162 PolarHBondContact O-ND2 3.16Å; D159-N162 PolarHBondContact O-N 3.2Å; N162-K164 VanDerWaalsContact C-N 3.32Å; N162-K164 PolarHBondContact O-N 3.44Å; N162-K165 PolarHBondContact O-N 3.29Å; N162-K165 VanDerWaalsContact O-N 3.15Å; N162-F166 PolarHBondContact O-N 3.42Å; N162-F166 VanDerWaalsContact O-N 3.13Å
163	E	40.2	Very low	38.5	Very low	64 Å²	64	101 Å²	101	30%	0.299	48%	0.481	S	S	.	.	H	α-helix	trans	-53.9	-48	166.8	-77.3	-167.3	127	0	0	111.2	R110 D159 K165 F166 Y167	R110-E163 IonicContact CZ-OE1 2.59Å; R110-E163 IonicContact CZ-OE2 3.49Å; R110-E163 IonicContact NH1-OE1 2.6Å; R110-E163 PolarHBondContact NH1-OE1 2.9Å; R110-E163 IonicContact NH2-OE1 3.23Å; R110-E163 PolarHBondContact NH2-OE1 3.39Å; R110-E163 IonicContact NH2-OE2 2.94Å; R110-E163 PolarHBondContact NH2-OE2 2.85Å; D159-E163 WeakPolarHBondContact O-CG 3.24Å; D159-E163 PolarHBondContact O-N 2.95Å; E163-K165 VanDerWaalsContact C-N 3.28Å; E163-K165 PolarHBondContact O-N 2.92Å; E163-F166 PolarHBondContact O-N 3.17Å; E163-F166 VanDerWaalsContact O-N 3.12Å; E163-Y167 HydrophobicContact CB-CD2 4.5Å; E163-Y167 HydrophobicContact CB-CE2 4.37Å; E163-Y167 WeakPolarHBondContact O-CD2 3.49Å; E163-Y167 PolarHBondContact O-N 3.28Å; E163-Y167 VanDerWaalsContact O-N 3.08Å
164	K	44.1	Very low	38.7	Very low	78 Å²	78	103.1 Å²	103.1	34%	0.339	49%	0.493	S	S	.	.	H	α-helix	trans	-54.7	-41	176.8	-78.4	-180	179.7	-166.7	0	112.7	I114 S117 K160 N162 S168	I114-K164 HydrophobicContact CG1-CG 4.26Å; S117-K164 PolarHBondContact OG-NZ 3.11Å; K160-K164 VanDerWaalsContact O-CG 3.31Å; K160-K164 WeakPolarHBondContact O-CG 3.17Å; K160-K164 PolarHBondContact O-N 3.26Å; N162-K164 VanDerWaalsContact C-N 3.32Å; N162-K164 PolarHBondContact O-N 3.44Å; K164-S168 VanDerWaalsContact O-CB 3.32Å; K164-S168 WeakPolarHBondContact O-CB 3.43Å; K164-S168 PolarHBondContact O-N 3.09Å; K164-S168 PolarHBondContact O-OG 3.46Å
165	K	44.2	Very low	39.1	Very low	108 Å²	108	103 Å²	103	47%	0.47	49%	0.492	S	S	.	.	H	α-helix	trans	-68.3	-37.8	178.2	-74.8	167.8	-175.1	156.2	0	112.3	E161 N162 E163 S168 K169	E161-K165 PolarHBondContact O-N 2.7Å; N162-K165 PolarHBondContact O-N 3.29Å; N162-K165 VanDerWaalsContact O-N 3.15Å; E163-K165 VanDerWaalsContact C-N 3.28Å; E163-K165 PolarHBondContact O-N 2.92Å; K165-S168 WeakPolarHBondContact CA-OG 3.4Å; K165-S168 PolarHBondContact O-N 3.41Å; K165-S168 PolarHBondContact O-OG 2.72Å; K165-K169 PolarHBondContact O-N 3.15Å; K165-K169 VanDerWaalsContact O-N 3.17Å
166	F	41.2	Very low	39.7	Very low	32 Å²	32	97.1 Å²	97.1	14%	0.14	47%	0.469	C	S	.	.	H	α-helix	trans	-67.6	-49.5	177.2	-179.7	-112.1	0	0	0	112.3	D54 N162 E163 S168 K169 L170	D54-F166 HydrophobicContact CB-CD2 4.41Å; D54-F166 HydrophobicContact CB-CE2 3.68Å; D54-F166 HydrophobicContact CB-CZ 4.12Å; D54-F166 VanDerWaalsContact CG-CD2 3.48Å; D54-F166 WeakPolarHBondContact OD2-CD2 3.25Å; D54-F166 VanDerWaalsContact OD2-CE2 3.27Å; D54-F166 WeakPolarHBondContact OD2-CE2 3.45Å; N162-F166 PolarHBondContact O-N 3.42Å; N162-F166 VanDerWaalsContact O-N 3.13Å; E163-F166 PolarHBondContact O-N 3.17Å; E163-F166 VanDerWaalsContact O-N 3.12Å; F166-S168 VanDerWaalsContact C-N 3.26Å; F166-S168 PolarHBondContact O-N 3.33Å; F166-K169 WeakPolarHBondContact O-CA 3.43Å; F166-K169 WeakPolarHBondContact O-CB 3.42Å; F166-K169 PolarHBondContact O-N 3.32Å; F166-L170 HydrophobicContact CD1-CD1 3.99Å; F166-L170 HydrophobicContact CE1-CD1 3.5Å; F166-L170 VanDerWaalsContact CE1-CD1 3.5Å; F166-L170 HydrophobicContact CZ-CD1 3.81Å; F166-L170 HydrophobicContact CZ-CG 4.45Å; F166-L170 PolarHBondContact O-N 3.02Å
167	Y	43.4	Very low	40.5	Very low	47 Å²	47	94.9 Å²	94.9	18%	0.184	46%	0.462	C	S	.	.	H	α-helix	trans	-64.4	-30.3	176.2	-65.6	-65.1	0	0	0	112.6	R110 E163 K169 L170 R171	R110-Y167 PolarHBondContact NH1-OH 3.17Å; E163-Y167 HydrophobicContact CB-CD2 4.5Å; E163-Y167 HydrophobicContact CB-CE2 4.37Å; E163-Y167 WeakPolarHBondContact O-CD2 3.49Å; E163-Y167 PolarHBondContact O-N 3.28Å; E163-Y167 VanDerWaalsContact O-N 3.08Å; Y167-K169 VanDerWaalsContact C-N 3.3Å; Y167-K169 PolarHBondContact O-N 2.94Å; Y167-L170 HydrophobicContact CD1-CD1 3.93Å; Y167-L170 HydrophobicContact CE1-CD1 4.4Å; Y167-L170 PolarHBondContact O-N 2.91Å; Y167-R171 PolarHBondContact O-N 3.26Å
168	S	39.5	Very low	41.6	Very low	51 Å²	51	89.1 Å²	89.1	36%	0.357	44%	0.439	S	S	.	.	H	α-helix	trans	-65.2	-30.3	170.4	79.2	0	0	0	0	113.5	K164 K165 F166 R171 F172	K164-S168 VanDerWaalsContact O-CB 3.32Å; K164-S168 WeakPolarHBondContact O-CB 3.43Å; K164-S168 PolarHBondContact O-N 3.09Å; K164-S168 PolarHBondContact O-OG 3.46Å; K165-S168 WeakPolarHBondContact CA-OG 3.4Å; K165-S168 PolarHBondContact O-N 3.41Å; K165-S168 PolarHBondContact O-OG 2.72Å; F166-S168 VanDerWaalsContact C-N 3.26Å; F166-S168 PolarHBondContact O-N 3.33Å; S168-R171 PolarHBondContact O-N 3.35Å; S168-F172 VanDerWaalsContact O-CD2 3.25Å; S168-F172 WeakPolarHBondContact O-CD2 3.27Å
169	K	39.6	Very low	43.3	Very low	156 Å²	156	86.5 Å²	86.5	68%	0.678	43%	0.425	S	S	*	.	H	α-helix	trans	-73.3	-34.1	174.7	-77.3	179.6	174.7	-178.8	0	112.5	K165 F166 Y167 R171 F172	K165-K169 PolarHBondContact O-N 3.15Å; K165-K169 VanDerWaalsContact O-N 3.17Å; F166-K169 WeakPolarHBondContact O-CA 3.43Å; F166-K169 WeakPolarHBondContact O-CB 3.42Å; F166-K169 PolarHBondContact O-N 3.32Å; Y167-K169 VanDerWaalsContact C-N 3.3Å; Y167-K169 PolarHBondContact O-N 2.94Å; K169-R171 VanDerWaalsContact C-N 3.28Å; K169-R171 PolarHBondContact O-N 3Å; K169-F172 PolarHBondContact O-N 2.67Å
170	L	38.2	Very low	44.8	Very low	46 Å²	46	83 Å²	83	24%	0.241	41%	0.406	C	S	.	.	H	α-helix	trans	-63	-33.6	173.1	-82.1	152.7	0	0	0	112.4	F166 Y167 F172 S176	F166-L170 HydrophobicContact CD1-CD1 3.99Å; F166-L170 HydrophobicContact CE1-CD1 3.5Å; F166-L170 VanDerWaalsContact CE1-CD1 3.5Å; F166-L170 HydrophobicContact CZ-CD1 3.81Å; F166-L170 HydrophobicContact CZ-CG 4.45Å; F166-L170 PolarHBondContact O-N 3.02Å; Y167-L170 HydrophobicContact CD1-CD1 3.93Å; Y167-L170 HydrophobicContact CE1-CD1 4.4Å; Y167-L170 PolarHBondContact O-N 2.91Å; L170-F172 VanDerWaalsContact C-N 3.25Å; L170-F172 PolarHBondContact O-N 3.32Å; L170-S176 WeakPolarHBondContact O-CB 3.22Å
171	R	36	Very low	46.7	Very low	98 Å²	98	77.8 Å²	77.8	37%	0.37	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.6	177.7	-72.3	-176.5	178	-161.2	-2.8	115.3	F111 Y167 S168 K169 N173	F111-R171 VanDerWaalsContact CD1-NH2 3.33Å; Y167-R171 PolarHBondContact O-N 3.26Å; S168-R171 PolarHBondContact O-N 3.35Å; K169-R171 VanDerWaalsContact C-N 3.28Å; K169-R171 PolarHBondContact O-N 3Å; R171-N173 PolarHBondContact O-N 2.95Å
172	F	33.2	Very low	48.6	Very low	173 Å²	173	72.3 Å²	72.3	76%	0.759	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-3.2	-177.1	-83.4	-82.6	0	0	0	115	S168 K169 L170	S168-F172 VanDerWaalsContact O-CD2 3.25Å; S168-F172 WeakPolarHBondContact O-CD2 3.27Å; K169-F172 PolarHBondContact O-N 2.67Å; L170-F172 VanDerWaalsContact C-N 3.25Å; L170-F172 PolarHBondContact O-N 3.32Å
173	N	31.9	Very low	50.8	Low	130 Å²	130	69 Å²	69	70%	0.695	34%	0.34	S	S	*	.	S	Bend	trans	-108.4	114.6	169.2	-97.2	-32.8	0	0	0	110.2	R171 N175 S176	R171-N173 PolarHBondContact O-N 2.95Å; N173-N175 PolarHBondContact O-N 3.44Å; N173-S176 WeakPolarHBondContact O-CB 3.39Å; N173-S176 PolarHBondContact O-N 2.86Å; N173-S176 VanDerWaalsContact O-N 3.09Å
174	N	34.6	Very low	52.8	Low	163 Å²	163	66.4 Å²	66.4	87%	0.872	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	27.8	-175.9	-80.3	-22.9	0	0	0	116.3
175	N	41.8	Very low	54.7	Low	116 Å²	116	62.7 Å²	62.7	62%	0.62	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.1	9.7	172.5	-73	-59.6	0	0	0	112.6	N173	N173-N175 PolarHBondContact O-N 3.44Å
176	S	48.3	Very low	56.7	Low	23 Å²	23	57.6 Å²	57.6	16%	0.161	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-32.9	-157.4	70.3	0	0	0	0	117.4	L170 N173 N178 I179 E180	L170-S176 WeakPolarHBondContact O-CB 3.22Å; N173-S176 WeakPolarHBondContact O-CB 3.39Å; N173-S176 PolarHBondContact O-N 2.86Å; N173-S176 VanDerWaalsContact O-N 3.09Å; S176-N178 PolarHBondContact O-N 3.17Å; S176-I179 PolarHBondContact O-N 2.91Å; S176-E180 WeakPolarHBondContact CB-OE1 3.38Å; S176-E180 PolarHBondContact O-N 3.41Å; S176-E180 PolarHBondContact OG-OE1 2.61Å
177	S	52.8	Low	58.7	Low	63 Å²	63	57.9 Å²	57.9	44%	0.441	29%	0.293	S	S	.	.	H	α-helix	trans	-54.2	-18.8	-175.6	61.1	0	0	0	0	114.4
178	N	61.8	Low	60.5	Low	28 Å²	28	58.9 Å²	58.9	15%	0.15	30%	0.3	C	S	.	.	H	α-helix	trans	-78.6	-20	-177.8	-69.2	-13.3	0	0	0	114.6	H66 S85 T86 S176 W181	H66-N178 PolarHBondContact ND1-O 3.48Å; S85-N178 WeakPolarHBondContact CB-OD1 3.49Å; T86-N178 PolarHBondContact OG1-O 3.36Å; S176-N178 PolarHBondContact O-N 3.17Å; N178-W181 PolarHBondContact O-NE1 3.22Å
179	I	74.4	Confident	62.7	Low	48 Å²	48	60.4 Å²	60.4	25%	0.246	30%	0.3	C	S	.	.	H	α-helix	trans	-111.7	-31.3	-176.4	-59.9	154.8	0	0	0	111	C62 T63 H66 S176 W181 I182 H183	C62-I179 HydrophobicContact CB-CG2 3.81Å; T63-I179 HydrophobicContact CG2-CD1 3.87Å; H66-I179 HydrophobicContact CB-CG1 4.4Å; S176-I179 PolarHBondContact O-N 2.91Å; I179-W181 VanDerWaalsContact C-N 3.29Å; I179-W181 PolarHBondContact O-N 3Å; I179-I182 WeakPolarHBondContact O-CA 3.34Å; I179-I182 WeakPolarHBondContact O-CB 3.29Å; I179-I182 PolarHBondContact O-N 3.2Å; I179-H183 PolarHBondContact O-N 2.85Å
180	E	70.4	Confident	64.9	Low	14 Å²	14	54.7 Å²	54.7	7%	0.065	28%	0.277	C	S	.	.	H	α-helix	trans	-54.4	-39.7	-175.6	-68.2	165.1	-161.1	0	0	113.1	F107 S176 I182 H183 F184	F107-E180 HydrophobicContact CE2-CB 3.81Å; F107-E180 HydrophobicContact CZ-CB 3.98Å; S176-E180 WeakPolarHBondContact CB-OE1 3.38Å; S176-E180 PolarHBondContact O-N 3.41Å; S176-E180 PolarHBondContact OG-OE1 2.61Å; E180-I182 VanDerWaalsContact C-N 3.34Å; E180-I182 PolarHBondContact O-N 2.94Å; E180-H183 PolarHBondContact O-N 2.9Å; E180-F184 WeakPolarHBondContact O-CB 3.41Å; E180-F184 PolarHBondContact O-N 3.22Å
181	W	83.1	Confident	67.2	Low	3 Å²	3	52.5 Å²	52.5	1%	0.011	27%	0.265	C	S	.	.	H	α-helix	trans	-68.7	-29.8	176.5	80.4	-93.8	0	0	0	113.4	L69 T86 Y87 L90 N178 I179 A185 I194	L69-W181 HydrophobicContact CD1-CH2 4.07Å; L69-W181 HydrophobicContact CD1-CZ2 4.23Å; T86-W181 PolarHBondContact OG1-NE1 3.37Å; Y87-W181 HydrophobicContact CD2-CB 4.21Å; Y87-W181 AromaticContact CD2-CD1 3.92Å; Y87-W181 HydrophobicContact CD2-CG 4.2Å; L90-W181 HydrophobicContact CD1-CE3 4.03Å; L90-W181 HydrophobicContact CD1-CH2 4.46Å; L90-W181 HydrophobicContact CD1-CZ3 3.93Å; L90-W181 HydrophobicContact CD2-CB 4.28Å; L90-W181 HydrophobicContact CD2-CD2 3.98Å; L90-W181 HydrophobicContact CD2-CE3 3.9Å; L90-W181 HydrophobicContact CD2-CG 4.17Å; L90-W181 HydrophobicContact CG-CE3 4.49Å; N178-W181 PolarHBondContact O-NE1 3.22Å; I179-W181 VanDerWaalsContact C-N 3.29Å; I179-W181 PolarHBondContact O-N 3Å; W181-A185 HydrophobicContact CE3-CB 4.41Å; W181-A185 WeakPolarHBondContact O-CB 3.11Å; W181-A185 PolarHBondContact O-N 2.82Å; W181-I194 HydrophobicContact CZ3-CG2 4.17Å
182	I	84.3	Confident	69.6	Low	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-73.8	-42.9	177.9	-61.2	174.7	0	0	0	109.6	C62 V65 H66 L69 I179 E180 A185 L186 L191	C62-I182 HydrophobicContact CB-CG2 4.2Å; V65-I182 HydrophobicContact CB-CG2 4.19Å; V65-I182 HydrophobicContact CG1-CD1 4.49Å; V65-I182 HydrophobicContact CG1-CG2 3.87Å; H66-I182 HydrophobicContact CB-CD1 3.71Å; L69-I182 HydrophobicContact CD1-CD1 4.47Å; I179-I182 WeakPolarHBondContact O-CA 3.34Å; I179-I182 WeakPolarHBondContact O-CB 3.29Å; I179-I182 PolarHBondContact O-N 3.2Å; E180-I182 VanDerWaalsContact C-N 3.34Å; E180-I182 PolarHBondContact O-N 2.94Å; I182-A185 PolarHBondContact O-N 2.91Å; I182-L186 WeakPolarHBondContact O-CB 3.35Å; I182-L186 PolarHBondContact O-N 2.59Å; I182-L191 HydrophobicContact CG2-CD1 4.12Å; I182-L191 HydrophobicContact CG2-CD2 4.24Å
183	H	83.4	Confident	72.1	Confident	9 Å²	9	44.6 Å²	44.6	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-59.6	-49.1	173.2	-177.6	-87.6	0	0	0	110.6	E53 I179 E180 A185 L186 V187	E53-H183 PolarHBondContact O-NE2 3.14Å; I179-H183 PolarHBondContact O-N 2.85Å; E180-H183 PolarHBondContact O-N 2.9Å; H183-A185 PolarHBondContact O-N 3.37Å; H183-L186 WeakPolarHBondContact O-CB 3.22Å; H183-L186 PolarHBondContact O-N 2.65Å; H183-L186 VanDerWaalsContact O-N 3.12Å; H183-V187 WeakPolarHBondContact O-CG2 3.36Å; H183-V187 PolarHBondContact O-N 2.98Å
184	F	81.9	Confident	74.7	Confident	9 Å²	9	38.5 Å²	38.5	4%	0.039	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-42.3	175.9	-163.2	-94.8	0	0	0	112.8	I103 K106 E180 L186 V187 E188	I103-F184 HydrophobicContact CG2-CD1 4.13Å; K106-F184 HydrophobicContact CB-CE1 3.72Å; K106-F184 HydrophobicContact CB-CZ 3.88Å; K106-F184 HydrophobicContact CD-CE1 3.9Å; K106-F184 HydrophobicContact CD-CZ 4Å; K106-F184 HydrophobicContact CG-CE1 4.47Å; E180-F184 WeakPolarHBondContact O-CB 3.41Å; E180-F184 PolarHBondContact O-N 3.22Å; F184-L186 VanDerWaalsContact C-N 3.3Å; F184-L186 PolarHBondContact O-N 2.89Å; F184-V187 PolarHBondContact O-N 3.39Å; F184-E188 HydrophobicContact CD1-CG 4.17Å; F184-E188 HydrophobicContact CE1-CG 3.81Å; F184-E188 HydrophobicContact CZ-CG 4.11Å; F184-E188 WeakPolarHBondContact O-CB 3.31Å; F184-E188 WeakPolarHBondContact O-CG 3.26Å; F184-E188 PolarHBondContact O-N 2.97Å
185	A	84.5	Confident	77.1	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.7	-31.5	175.9	0	0	0	0	0	113.4	I103 W181 I182 H183 K189 L190 L191 I194	I103-A185 HydrophobicContact CD1-CB 3.36Å; W181-A185 HydrophobicContact CE3-CB 4.41Å; W181-A185 WeakPolarHBondContact O-CB 3.11Å; W181-A185 PolarHBondContact O-N 2.82Å; I182-A185 PolarHBondContact O-N 2.91Å; H183-A185 PolarHBondContact O-N 3.37Å; A185-K189 PolarHBondContact O-N 2.91Å; A185-L190 PolarHBondContact O-N 2.88Å; A185-L191 HydrophobicContact CB-CB 3.94Å; A185-L191 HydrophobicContact CB-CD1 4.13Å; A185-L191 PolarHBondContact O-N 3.41Å; A185-I194 HydrophobicContact CB-CD1 4.47Å
186	L	86.6	Confident	79.2	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-72.3	-46.6	177.1	179.4	63.5	0	0	0	111.1	V58 F61 I182 H183 F184 K189 L191 P228 Y233	V58-L186 HydrophobicContact CG1-CD2 4.08Å; F61-L186 HydrophobicContact CD1-CD2 3.71Å; F61-L186 HydrophobicContact CE1-CD1 3.99Å; F61-L186 HydrophobicContact CE1-CD2 3.91Å; I182-L186 WeakPolarHBondContact O-CB 3.35Å; I182-L186 PolarHBondContact O-N 2.59Å; H183-L186 WeakPolarHBondContact O-CB 3.22Å; H183-L186 PolarHBondContact O-N 2.65Å; H183-L186 VanDerWaalsContact O-N 3.12Å; F184-L186 VanDerWaalsContact C-N 3.3Å; F184-L186 PolarHBondContact O-N 2.89Å; L186-K189 PolarHBondContact O-N 2.99Å; L186-K189 VanDerWaalsContact O-N 3.09Å; L186-L191 HydrophobicContact CB-CD2 4.24Å; L186-L191 HydrophobicContact CD1-CD2 4.19Å; L186-P228 HydrophobicContact CD1-CB 4.17Å; L186-Y233 HydrophobicContact CD1-CE2 3.74Å; L186-Y233 HydrophobicContact CD2-CE2 4.06Å; L186-Y233 HydrophobicContact CG-CD2 4.21Å; L186-Y233 HydrophobicContact CG-CE2 3.53Å
187	V	83	Confident	80.9	Confident	38 Å²	38	30 Å²	30	23%	0.23	16%	0.156	C	C	.	.	H	α-helix	trans	-62.3	-46	178.5	174.2	0	0	0	0	111.5	E53 H183 F184 K189	E53-V187 HydrophobicContact CG-CG1 4.44Å; E53-V187 HydrophobicContact CG-CG2 3.7Å; E53-V187 VanDerWaalsContact OE1-CG1 3.32Å; E53-V187 WeakPolarHBondContact OE1-CG1 3.38Å; H183-V187 WeakPolarHBondContact O-CG2 3.36Å; H183-V187 PolarHBondContact O-N 2.98Å; F184-V187 PolarHBondContact O-N 3.39Å; V187-K189 PolarHBondContact O-N 3.1Å
188	E	81.5	Confident	82.4	Confident	69 Å²	69	27.1 Å²	27.1	32%	0.322	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-0.4	176	-69.4	-94.3	174.8	0	0	113.5	K106 F184 L190	K106-E188 IonicContact NZ-OE1 2.77Å; K106-E188 PolarHBondContact NZ-OE1 3.43Å; K106-E188 IonicContact NZ-OE2 3.38Å; K106-E188 PolarHBondContact NZ-OE2 3.46Å; F184-E188 HydrophobicContact CD1-CG 4.17Å; F184-E188 HydrophobicContact CE1-CG 3.81Å; F184-E188 HydrophobicContact CZ-CG 4.11Å; F184-E188 WeakPolarHBondContact O-CB 3.31Å; F184-E188 WeakPolarHBondContact O-CG 3.26Å; F184-E188 PolarHBondContact O-N 2.97Å; E188-L190 HydrophobicContact CB-CD1 4.16Å; E188-L190 HydrophobicContact CB-CG 4.1Å; E188-L190 PolarHBondContact O-N 2.85Å
189	K	85	Confident	83.4	Confident	82 Å²	82	26.9 Å²	26.9	36%	0.357	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	26.6	-177.2	-50.7	-167.9	-179.4	-160.1	0	115.2	A185 L186 V187 C229 A230 I231 N232	A185-K189 PolarHBondContact O-N 2.91Å; L186-K189 PolarHBondContact O-N 2.99Å; L186-K189 VanDerWaalsContact O-N 3.09Å; V187-K189 PolarHBondContact O-N 3.1Å; K189-C229 WeakPolarHBondContact CD-O 3.43Å; K189-A230 PolarHBondContact NZ-O 3.37Å; K189-I231 WeakPolarHBondContact CE-O 3.45Å; K189-I231 PolarHBondContact NZ-O 2.87Å; K189-N232 PolarHBondContact NZ-OD1 3.5Å
190	L	85.3	Confident	83.7	Confident	37 Å²	37	29.1 Å²	29.1	19%	0.194	16%	0.155	C	C	.	.			trans	-96.8	-11.6	-180	-63.6	-179.5	0	0	0	113.6	T99 I103 A185 E188 E192 T193 I194	T99-L190 HydrophobicContact CG2-CD2 4.02Å; I103-L190 HydrophobicContact CD1-CB 4.04Å; I103-L190 HydrophobicContact CD1-CD1 4.16Å; I103-L190 HydrophobicContact CG1-CD1 3.83Å; A185-L190 PolarHBondContact O-N 2.88Å; E188-L190 HydrophobicContact CB-CD1 4.16Å; E188-L190 HydrophobicContact CB-CG 4.1Å; E188-L190 PolarHBondContact O-N 2.85Å; L190-E192 PolarHBondContact O-N 3.46Å; L190-T193 PolarHBondContact O-N 2.93Å; L190-I194 HydrophobicContact CB-CD1 4.37Å; L190-I194 PolarHBondContact O-N 2.95Å
191	L	87.4	Confident	84.2	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.3	-44.9	-175	-178.8	63.3	0	0	0	113	F61 V65 I182 A185 L186 T193 I194 V195 I225	F61-L191 HydrophobicContact CE1-CD2 4.32Å; V65-L191 HydrophobicContact CG1-CD1 4.49Å; V65-L191 HydrophobicContact CG1-CD2 4.45Å; I182-L191 HydrophobicContact CG2-CD1 4.12Å; I182-L191 HydrophobicContact CG2-CD2 4.24Å; A185-L191 HydrophobicContact CB-CB 3.94Å; A185-L191 HydrophobicContact CB-CD1 4.13Å; A185-L191 PolarHBondContact O-N 3.41Å; L186-L191 HydrophobicContact CB-CD2 4.24Å; L186-L191 HydrophobicContact CD1-CD2 4.19Å; L191-T193 PolarHBondContact O-N 3.42Å; L191-I194 PolarHBondContact O-N 3.2Å; L191-V195 HydrophobicContact CD1-CG2 4.03Å; L191-V195 HydrophobicContact CG-CG2 4.38Å; L191-V195 WeakPolarHBondContact O-CG2 3.41Å; L191-V195 PolarHBondContact O-N 2.93Å; L191-I225 HydrophobicContact CD2-CG2 4.37Å; L191-I225 HydrophobicContact CG-CG2 4.44Å
192	E	87.4	Confident	83.9	Confident	40 Å²	40	31.9 Å²	31.9	19%	0.187	17%	0.166	C	C	.	.	H	α-helix	trans	-59.3	-45.8	178.4	-178.9	175.3	-176	0	0	111.6	L190 I194 V195 Q196 R226 C229	L190-E192 PolarHBondContact O-N 3.46Å; E192-I194 VanDerWaalsContact C-N 3.33Å; E192-I194 PolarHBondContact O-N 2.9Å; E192-V195 PolarHBondContact O-N 3.22Å; E192-Q196 HydrophobicContact CG-CG 4.21Å; E192-Q196 WeakPolarHBondContact O-CB 3.34Å; E192-Q196 VanDerWaalsContact O-CG 3.29Å; E192-Q196 WeakPolarHBondContact O-CG 3.37Å; E192-Q196 PolarHBondContact O-N 3.43Å; E192-Q196 PolarHBondContact OE1-NE2 2.67Å; E192-R226 WeakPolarHBondContact OE1-CG 3.29Å; E192-R226 IonicContact OE1-CZ 2.74Å; E192-R226 IonicContact OE1-NE 3.2Å; E192-R226 PolarHBondContact OE1-NE 3.3Å; E192-R226 IonicContact OE1-NH2 3.61Å; E192-R226 PolarHBondContact OE1-NH2 3.21Å; E192-R226 WeakPolarHBondContact OE2-CG 3.44Å; E192-C229 HydrophobicContact CB-CB 4.46Å
193	T	85.8	Confident	83.4	Confident	65 Å²	65	40.9 Å²	40.9	40%	0.399	21%	0.205	S	C	.	.	H	α-helix	trans	-62.3	-40.4	-179.2	-46.8	0	0	0	0	112	T99 L190 L191 H197	T99-T193 HydrophobicContact CG2-CG2 4.29Å; L190-T193 PolarHBondContact O-N 2.93Å; L191-T193 PolarHBondContact O-N 3.42Å; T193-H197 PolarHBondContact O-N 3Å; T193-H197 VanDerWaalsContact O-N 3.14Å
194	I	84.9	Confident	83.2	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-68.8	-44.9	179.1	-67	168.6	0	0	0	110.4	L90 I103 W181 A185 L190 L191 E192 Q196 H197 I198	L90-I194 HydrophobicContact CD1-CD1 4.44Å; L90-I194 HydrophobicContact CD1-CG2 3.92Å; I103-I194 HydrophobicContact CD1-CD1 3.36Å; I103-I194 HydrophobicContact CG1-CD1 4.16Å; W181-I194 HydrophobicContact CZ3-CG2 4.17Å; A185-I194 HydrophobicContact CB-CD1 4.47Å; L190-I194 HydrophobicContact CB-CD1 4.37Å; L190-I194 PolarHBondContact O-N 2.95Å; L191-I194 PolarHBondContact O-N 3.2Å; E192-I194 VanDerWaalsContact C-N 3.33Å; E192-I194 PolarHBondContact O-N 2.9Å; I194-Q196 PolarHBondContact O-N 2.68Å; I194-H197 PolarHBondContact O-N 2.89Å; I194-I198 HydrophobicContact CG2-CD1 4.02Å; I194-I198 WeakPolarHBondContact O-CG1 3.41Å; I194-I198 PolarHBondContact O-N 3.22Å
195	V	85.7	Confident	82.8	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-42.2	176.6	175	0	0	0	0	111.3	L69 L191 E192 H197 I198 C199 F221 L222 I225	L69-V195 HydrophobicContact CD2-CG2 4.5Å; L191-V195 HydrophobicContact CD1-CG2 4.03Å; L191-V195 HydrophobicContact CG-CG2 4.38Å; L191-V195 WeakPolarHBondContact O-CG2 3.41Å; L191-V195 PolarHBondContact O-N 2.93Å; E192-V195 PolarHBondContact O-N 3.22Å; V195-H197 VanDerWaalsContact C-N 3.29Å; V195-H197 PolarHBondContact O-N 3.21Å; V195-I198 WeakPolarHBondContact O-CB 3.46Å; V195-I198 PolarHBondContact O-N 3.28Å; V195-I198 VanDerWaalsContact O-N 3.14Å; V195-C199 PolarHBondContact O-N 2.86Å; V195-C199 PolarHBondContact O-SG 2.9Å; V195-F221 HydrophobicContact CG1-CD1 3.98Å; V195-F221 HydrophobicContact CG1-CE1 3.6Å; V195-L222 HydrophobicContact CB-CD2 4.41Å; V195-L222 HydrophobicContact CG1-CD2 3.72Å; V195-I225 HydrophobicContact CG2-CD1 4.49Å
196	Q	86	Confident	82.7	Confident	80 Å²	80	46.9 Å²	46.9	37%	0.374	23%	0.233	S	C	.	.	H	α-helix	trans	-58.9	-38.5	174.7	-74	180	9.2	0	0	112.4	E192 I194 C199 S200 L222	E192-Q196 HydrophobicContact CG-CG 4.21Å; E192-Q196 WeakPolarHBondContact O-CB 3.34Å; E192-Q196 VanDerWaalsContact O-CG 3.29Å; E192-Q196 WeakPolarHBondContact O-CG 3.37Å; E192-Q196 PolarHBondContact O-N 3.43Å; E192-Q196 PolarHBondContact OE1-NE2 2.67Å; I194-Q196 PolarHBondContact O-N 2.68Å; Q196-C199 PolarHBondContact O-N 3.48Å; Q196-S200 PolarHBondContact O-N 3.3Å; Q196-S200 VanDerWaalsContact O-N 3.08Å; Q196-L222 HydrophobicContact CG-CD2 3.79Å
197	H	83.7	Confident	82.3	Confident	44 Å²	44	48.6 Å²	48.6	20%	0.204	25%	0.245	C	C	.	.	H	α-helix	trans	-70.3	-36.9	175	-163.3	104.1	0	0	0	112.5	Q96 T193 I194 V195 C199 S200 R201	Q96-H197 PolarHBondContact O-CE1 3.01Å; Q96-H197 VanDerWaalsContact O-CE1 3.27Å; T193-H197 PolarHBondContact O-N 3Å; T193-H197 VanDerWaalsContact O-N 3.14Å; I194-H197 PolarHBondContact O-N 2.89Å; V195-H197 VanDerWaalsContact C-N 3.29Å; V195-H197 PolarHBondContact O-N 3.21Å; H197-C199 VanDerWaalsContact C-N 3.33Å; H197-S200 PolarHBondContact O-N 3.15Å; H197-S200 PolarHBondContact O-OG 3.07Å; H197-R201 PolarHBondContact O-N 3.39Å
198	I	84	Confident	82	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.015	26%	0.263	C	S	.	.	H	α-helix	trans	-60.6	-44.2	171.4	-67.7	162.8	0	0	0	110.2	L69 L89 I93 I194 V195 R201 A202 Y206 M212	L69-I198 HydrophobicContact CD2-CD1 4.31Å; L89-I198 HydrophobicContact CD2-CD1 4.32Å; L89-I198 HydrophobicContact CD2-CG1 4.46Å; L89-I198 HydrophobicContact CD2-CG2 4.23Å; I93-I198 HydrophobicContact CD1-CB 4.44Å; I93-I198 HydrophobicContact CD1-CG1 3.51Å; I194-I198 HydrophobicContact CG2-CD1 4.02Å; I194-I198 WeakPolarHBondContact O-CG1 3.41Å; I194-I198 PolarHBondContact O-N 3.22Å; V195-I198 WeakPolarHBondContact O-CB 3.46Å; V195-I198 PolarHBondContact O-N 3.28Å; V195-I198 VanDerWaalsContact O-N 3.14Å; I198-R201 CarbonylContact O-C 3.51Å; I198-R201 PolarHBondContact O-N 3.08Å; I198-A202 WeakPolarHBondContact O-CA 3.2Å; I198-A202 PolarHBondContact O-N 3.38Å; I198-Y206 HydrophobicContact CG2-CE2 3.73Å; I198-M212 HydrophobicContact CG2-CG 4.46Å
199	C	82.8	Confident	81.6	Confident	23 Å²	23	51.2 Å²	51.2	16%	0.155	27%	0.267	C	S	.	.	H	α-helix	trans	-64.5	-39.8	-180	-66.4	0	0	0	0	113.1	V195 Q196 H197 R201 A202 V218	V195-C199 PolarHBondContact O-N 2.86Å; V195-C199 PolarHBondContact O-SG 2.9Å; Q196-C199 PolarHBondContact O-N 3.48Å; H197-C199 VanDerWaalsContact C-N 3.33Å; C199-R201 PolarHBondContact O-N 3.27Å; C199-A202 WeakPolarHBondContact O-CB 3.36Å; C199-A202 PolarHBondContact O-N 3.25Å; C199-V218 HydrophobicContact CB-CG1 4.04Å
200	S	82	Confident	81.3	Confident	95 Å²	95	47.3 Å²	47.3	66%	0.664	25%	0.25	S	C	*	.	H	α-helix	trans	-64.2	-29.7	179.2	72.3	0	0	0	0	112.7	Q196 H197	Q196-S200 PolarHBondContact O-N 3.3Å; Q196-S200 VanDerWaalsContact O-N 3.08Å; H197-S200 PolarHBondContact O-N 3.15Å; H197-S200 PolarHBondContact O-OG 3.07Å
201	R	79.2	Confident	81.2	Confident	70 Å²	70	45.6 Å²	45.6	26%	0.264	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	10.1	178.2	-48.6	-168.3	87.9	111.2	7.3	114.2	Q96 H197 I198 C199 K203 E204 F205	Q96-R201 VanDerWaalsContact OE1-NE 3.09Å; H197-R201 PolarHBondContact O-N 3.39Å; I198-R201 CarbonylContact O-C 3.51Å; I198-R201 PolarHBondContact O-N 3.08Å; C199-R201 PolarHBondContact O-N 3.27Å; R201-K203 PolarHBondContact O-N 2.92Å; R201-E204 IonicContact CZ-OE2 3.74Å; R201-E204 IonicContact NE-OE1 3.27Å; R201-E204 IonicContact NE-OE2 3.46Å; R201-E204 PolarHBondContact NE-OE2 3.11Å; R201-E204 IonicContact NH2-OE1 3.66Å; R201-E204 PolarHBondContact NH2-OE1 3.34Å; R201-E204 IonicContact NH2-OE2 2.91Å; R201-E204 WeakPolarHBondContact O-CB 3.38Å; R201-E204 PolarHBondContact O-N 3.04Å; R201-F205 HydrophobicContact CB-CD2 4.24Å; R201-F205 HydrophobicContact CB-CE2 3.94Å
202	A	76.7	Confident	80.9	Confident	5 Å²	5	45.7 Å²	45.7	4%	0.041	24%	0.241	C	C	.	.	H	α-helix	trans	-55.7	-30.8	-169.3	0	0	0	0	0	114.2	I198 C199 E204 F205 Y206 M212	I198-A202 WeakPolarHBondContact O-CA 3.2Å; I198-A202 PolarHBondContact O-N 3.38Å; C199-A202 WeakPolarHBondContact O-CB 3.36Å; C199-A202 PolarHBondContact O-N 3.25Å; A202-E204 VanDerWaalsContact C-N 3.25Å; A202-E204 PolarHBondContact O-N 2.99Å; A202-F205 PolarHBondContact O-N 2.97Å; A202-Y206 HydrophobicContact CB-CD2 4.33Å; A202-Y206 WeakPolarHBondContact O-CB 3.49Å; A202-Y206 PolarHBondContact O-N 3.13Å; A202-M212 HydrophobicContact CB-CB 4.08Å; A202-M212 WeakPolarHBondContact CB-O 3.38Å
203	K	75.2	Confident	80.6	Confident	189 Å²	189	45.5 Å²	45.5	82%	0.822	25%	0.246	S	C	*	.	H	α-helix	trans	-59.8	-31.7	175.6	-66.3	-177.8	178.9	179.6	0	113.8	K74 R201	K74-K203 PolarHBondContact NZ-O 3.43Å; R201-K203 PolarHBondContact O-N 2.92Å
204	E	77.8	Confident	80.5	Confident	102 Å²	102	44.7 Å²	44.7	48%	0.477	24%	0.24	S	C	.	.	H	α-helix	trans	-69.2	-54.8	179	-62.2	174.3	174.2	0	0	108.7	K74 R201 A202	K74-E204 PolarHBondContact NZ-O 2.86Å; R201-E204 IonicContact CZ-OE2 3.74Å; R201-E204 IonicContact NE-OE1 3.27Å; R201-E204 IonicContact NE-OE2 3.46Å; R201-E204 PolarHBondContact NE-OE2 3.11Å; R201-E204 IonicContact NH2-OE1 3.66Å; R201-E204 PolarHBondContact NH2-OE1 3.34Å; R201-E204 IonicContact NH2-OE2 2.91Å; R201-E204 WeakPolarHBondContact O-CB 3.38Å; R201-E204 PolarHBondContact O-N 3.04Å; A202-E204 VanDerWaalsContact C-N 3.25Å; A202-E204 PolarHBondContact O-N 2.99Å
205	F	75.1	Confident	80.3	Confident	39 Å²	39	53.2 Å²	53.2	17%	0.171	28%	0.276	C	S	.	.	H	α-helix	trans	-91.4	-21.7	-168.6	-55.2	-72.9	0	0	0	116	L73 K74 L89 K92 I93 R201 A202	L73-F205 HydrophobicContact CD1-CB 4.15Å; K74-F205 WeakPolarHBondContact CB-O 3.44Å; K74-F205 PolarHBondContact N-O 3.34Å; L89-F205 HydrophobicContact CD1-CB 4.01Å; L89-F205 HydrophobicContact CD1-CD1 3.87Å; L89-F205 HydrophobicContact CD1-CD2 4.27Å; L89-F205 HydrophobicContact CD1-CE1 4.47Å; L89-F205 HydrophobicContact CD1-CG 3.76Å; K92-F205 HydrophobicContact CB-CE1 4.3Å; K92-F205 HydrophobicContact CD-CE1 4.4Å; I93-F205 HydrophobicContact CD1-CE2 4.45Å; I93-F205 HydrophobicContact CG1-CE2 4.29Å; I93-F205 HydrophobicContact CG1-CZ 4.38Å; R201-F205 HydrophobicContact CB-CD2 4.24Å; R201-F205 HydrophobicContact CB-CE2 3.94Å; A202-F205 PolarHBondContact O-N 2.97Å
206	Y	82.4	Confident	80.3	Confident	3 Å²	3	57.4 Å²	57.4	1%	0.012	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-119.6	153.9	-171.4	-67.1	-96	0	0	0	114.1	L69 G72 L73 K74 L89 I198 A202 S210 M212	L69-Y206 VanDerWaalsContact O-CE1 3.24Å; L69-Y206 WeakPolarHBondContact O-CE1 3.44Å; L69-Y206 PolarHBondContact O-OH 3.14Å; G72-Y206 CarbonylContact O-C 3.53Å; G72-Y206 VanDerWaalsContact O-CA 3.29Å; G72-Y206 WeakPolarHBondContact O-CA 3.48Å; L73-Y206 HydrophobicContact CB-CD1 4.3Å; L73-Y206 HydrophobicContact CB-CE1 4.04Å; L73-Y206 HydrophobicContact CD1-CD1 4.33Å; L73-Y206 HydrophobicContact CD1-CD2 4.45Å; L73-Y206 HydrophobicContact CD1-CE1 3.93Å; L73-Y206 HydrophobicContact CD1-CE2 4.05Å; K74-Y206 WeakPolarHBondContact CE-O 3.42Å; K74-Y206 PolarHBondContact NZ-O 3.43Å; L89-Y206 HydrophobicContact CD2-CE2 4.13Å; L89-Y206 WeakPolarHBondContact CD2-OH 3.13Å; I198-Y206 HydrophobicContact CG2-CE2 3.73Å; A202-Y206 HydrophobicContact CB-CD2 4.33Å; A202-Y206 WeakPolarHBondContact O-CB 3.49Å; A202-Y206 PolarHBondContact O-N 3.13Å; Y206-S210 VanDerWaalsContact CB-OG 3.32Å; Y206-S210 WeakPolarHBondContact CB-OG 3.24Å; Y206-M212 HydrophobicContact CD1-CB 4.06Å; Y206-M212 HydrophobicContact CD1-CG 4.23Å; Y206-M212 HydrophobicContact CD2-CB 3.87Å; Y206-M212 HydrophobicContact CD2-CG 4.33Å; Y206-M212 HydrophobicContact CE1-CB 4.11Å; Y206-M212 HydrophobicContact CE1-CG 3.78Å; Y206-M212 HydrophobicContact CE2-CB 3.93Å; Y206-M212 HydrophobicContact CE2-CG 3.89Å; Y206-M212 HydrophobicContact CG-CB 3.95Å; Y206-M212 HydrophobicContact CG-CG 4.49Å
207	S	77.7	Confident	80.2	Confident	36 Å²	36	55.1 Å²	55.1	25%	0.252	30%	0.295	S	S	.	.			trans	-67.5	156.3	164.7	66.6	0	0	0	0	111.1	G72 D209 S210 A213	G72-S207 PolarHBondContact O-N 3.08Å; G72-S207 PolarHBondContact O-OG 3.11Å; S207-D209 PolarHBondContact O-N 3.02Å; S207-D209 VanDerWaalsContact O-N 3.08Å; S207-S210 WeakPolarHBondContact O-CB 3.41Å; S207-S210 PolarHBondContact O-N 3.29Å; S207-S210 PolarHBondContact O-OG 3.28Å; S207-A213 WeakPolarHBondContact O-CB 3.44Å
208	S	75.9	Confident	80.3	Confident	86 Å²	86	53.7 Å²	53.7	60%	0.601	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-28.3	175.6	44.7	0	0	0	0	113.4
209	D	72.8	Confident	80.4	Confident	76 Å²	76	58.5 Å²	58.5	41%	0.406	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	3.2	-169.6	-40.1	-45.7	0	0	0	112.2	L23 R27 S207	L23-D209 HydrophobicContact CD2-CB 3.48Å; L23-D209 VanDerWaalsContact CD2-CB 3.48Å; L23-D209 VanDerWaalsContact CD2-O 3.28Å; L23-D209 WeakPolarHBondContact CD2-O 3.45Å; R27-D209 WeakPolarHBondContact CD-O 3.24Å; R27-D209 PolarHBondContact NH1-O 3.2Å; S207-D209 PolarHBondContact O-N 3.02Å; S207-D209 VanDerWaalsContact O-N 3.08Å
210	S	80.7	Confident	80.7	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.323	C	S	.	.	S	Bend	trans	-69.3	161.3	172.3	64.5	0	0	0	0	113	I71 Y206 S207 M212 A213 N214	I71-S210 VanDerWaalsContact O-CB 3.27Å; I71-S210 WeakPolarHBondContact O-CB 3.38Å; Y206-S210 VanDerWaalsContact CB-OG 3.32Å; Y206-S210 WeakPolarHBondContact CB-OG 3.24Å; S207-S210 WeakPolarHBondContact O-CB 3.41Å; S207-S210 PolarHBondContact O-N 3.29Å; S207-S210 PolarHBondContact O-OG 3.28Å; S210-M212 PolarHBondContact O-N 3.44Å; S210-A213 WeakPolarHBondContact OG-CB 3.48Å; S210-A213 PolarHBondContact OG-N 2.74Å; S210-N214 PolarHBondContact O-N 3.41Å
211	I	81.3	Confident	81.1	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-37	168.1	-57.9	-179.4	0	0	0	109.6	R27 I31 C68 D217 V218 F221	R27-I211 HydrophobicContact CB-CG1 4.39Å; R27-I211 HydrophobicContact CG-CD1 4.39Å; R27-I211 HydrophobicContact CG-CG1 3.73Å; I31-I211 HydrophobicContact CG1-CD1 4.47Å; C68-I211 HydrophobicContact CB-CD1 4.12Å; I211-D217 HydrophobicContact CG2-CB 4.01Å; I211-V218 WeakPolarHBondContact O-CG2 3.2Å; I211-F221 HydrophobicContact CG2-CB 4.36Å
212	M	82.6	Confident	81.5	Confident	3 Å²	3	53 Å²	53	2%	0.015	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-25.4	-175.5	-62.7	-53.2	107.7	0	0	114.6	L69 I198 A202 Y206 S210 V218 F221	L69-M212 HydrophobicContact CD2-CE 4.35Å; L69-M212 HydrophobicContact CD2-CG 4.45Å; L69-M212 HydrophobicContact CD2-SD 3.86Å; I198-M212 HydrophobicContact CG2-CG 4.46Å; A202-M212 HydrophobicContact CB-CB 4.08Å; A202-M212 WeakPolarHBondContact CB-O 3.38Å; Y206-M212 HydrophobicContact CD1-CB 4.06Å; Y206-M212 HydrophobicContact CD1-CG 4.23Å; Y206-M212 HydrophobicContact CD2-CB 3.87Å; Y206-M212 HydrophobicContact CD2-CG 4.33Å; Y206-M212 HydrophobicContact CE1-CB 4.11Å; Y206-M212 HydrophobicContact CE1-CG 3.78Å; Y206-M212 HydrophobicContact CE2-CB 3.93Å; Y206-M212 HydrophobicContact CE2-CG 3.89Å; Y206-M212 HydrophobicContact CG-CB 3.95Å; Y206-M212 HydrophobicContact CG-CG 4.49Å; S210-M212 PolarHBondContact O-N 3.44Å; M212-V218 VanDerWaalsContact C-CG2 3.48Å; M212-V218 WeakPolarHBondContact O-CG2 3.41Å; M212-F221 HydrophobicContact CE-CD1 3.56Å; M212-F221 HydrophobicContact CE-CE1 3.5Å; M212-F221 VanDerWaalsContact CE-CE1 3.5Å; M212-F221 HydrophobicContact CE-CG 4.1Å; M212-F221 HydrophobicContact CE-CZ 4.03Å; M212-F221 HydrophobicContact SD-CD1 4.24Å; M212-F221 HydrophobicContact SD-CE1 4.06Å
213	A	81.1	Confident	82	Confident	35 Å²	35	56.3 Å²	56.3	29%	0.289	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-21.5	178.2	0	0	0	0	0	113.4	S207 S210 K215	S207-A213 WeakPolarHBondContact O-CB 3.44Å; S210-A213 WeakPolarHBondContact OG-CB 3.48Å; S210-A213 PolarHBondContact OG-N 2.74Å; A213-K215 PolarHBondContact O-N 3.05Å
214	N	83.3	Confident	82.7	Confident	49 Å²	49	48.6 Å²	48.6	26%	0.262	27%	0.274	S	S	.	.			trans	-83.2	112.2	-179.4	-171.6	-61.7	0	0	0	111.5	R27 S210 C216 D217 V218	R27-N214 VanDerWaalsContact NH2-CG 3.32Å; R27-N214 PolarHBondContact NH2-ND2 2.78Å; R27-N214 VanDerWaalsContact NH2-ND2 3.1Å; S210-N214 PolarHBondContact O-N 3.41Å; N214-C216 PolarHBondContact O-N 3.23Å; N214-C216 WeakPolarHBondContact OD1-CB 3.07Å; N214-C216 PolarHBondContact OD1-N 2.91Å; N214-D217 HydrophobicContact CB-CB 4.2Å; N214-D217 PolarHBondContact O-N 2.92Å; N214-D217 VanDerWaalsContact O-N 3.15Å; N214-D217 PolarHBondContact OD1-N 3.38Å; N214-V218 WeakPolarHBondContact O-CG2 3.42Å; N214-V218 PolarHBondContact O-N 3.41Å
215	K	81.3	Confident	83.3	Confident	179 Å²	179	43.8 Å²	43.8	78%	0.778	25%	0.252	S	S	*	.	H	α-helix	trans	-50.7	-34.9	-177.3	-68.3	-175.8	176.4	-176.9	0	114.8	A213 N219	A213-K215 PolarHBondContact O-N 3.05Å; K215-N219 VanDerWaalsContact O-CG 3.24Å; K215-N219 PolarHBondContact O-ND2 2.73Å
216	C	84.2	Confident	83.8	Confident	89 Å²	89	47.9 Å²	47.9	60%	0.601	27%	0.266	S	S	*	.	H	α-helix	trans	-76.2	-48.5	-179.1	-63.7	0	0	0	0	111	N214 N219 V220	N214-C216 PolarHBondContact O-N 3.23Å; N214-C216 WeakPolarHBondContact OD1-CB 3.07Å; N214-C216 PolarHBondContact OD1-N 2.91Å; C216-N219 PolarHBondContact O-N 3.19Å; C216-V220 PolarHBondContact O-N 3.08Å
217	D	84.8	Confident	84.1	Confident	31 Å²	31	49 Å²	49	17%	0.166	28%	0.278	C	S	.	.	H	α-helix	trans	-66.5	-39.3	-178.5	-69.4	9.2	0	0	0	111.7	R27 I31 I211 N214 N219 V220 F221	R27-D217 IonicContact CZ-OD2 3.88Å; R27-D217 IonicContact NE-OD2 3.81Å; R27-D217 PolarHBondContact NE-OD2 3.4Å; R27-D217 IonicContact NH2-OD1 3.64Å; R27-D217 IonicContact NH2-OD2 2.72Å; R27-D217 PolarHBondContact NH2-OD2 2.86Å; I31-D217 HydrophobicContact CD1-CB 3.8Å; I211-D217 HydrophobicContact CG2-CB 4.01Å; N214-D217 HydrophobicContact CB-CB 4.2Å; N214-D217 PolarHBondContact O-N 2.92Å; N214-D217 VanDerWaalsContact O-N 3.15Å; N214-D217 PolarHBondContact OD1-N 3.38Å; D217-N219 VanDerWaalsContact C-N 3.33Å; D217-N219 PolarHBondContact O-N 3.18Å; D217-V220 PolarHBondContact O-N 3.48Å; D217-F221 WeakPolarHBondContact O-CB 3.47Å; D217-F221 PolarHBondContact O-N 2.79Å
218	V	85.6	Confident	84.5	Confident	15 Å²	15	47.2 Å²	47.2	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-54.2	-48.4	172.7	170	0	0	0	0	111.5	C199 I211 M212 N214 V220 F221 L222	C199-V218 HydrophobicContact CB-CG1 4.04Å; I211-V218 WeakPolarHBondContact O-CG2 3.2Å; M212-V218 VanDerWaalsContact C-CG2 3.48Å; M212-V218 WeakPolarHBondContact O-CG2 3.41Å; N214-V218 WeakPolarHBondContact O-CG2 3.42Å; N214-V218 PolarHBondContact O-N 3.41Å; V218-V220 VanDerWaalsContact C-N 3.31Å; V218-V220 PolarHBondContact O-N 3.09Å; V218-F221 PolarHBondContact O-N 3.08Å; V218-L222 HydrophobicContact CG1-CD1 3.71Å; V218-L222 HydrophobicContact CG1-CG 4.25Å; V218-L222 WeakPolarHBondContact O-CB 3.43Å; V218-L222 WeakPolarHBondContact O-CG 3.37Å; V218-L222 PolarHBondContact O-N 3.24Å
219	N	86.7	Confident	85.1	Confident	104 Å²	104	43.6 Å²	43.6	56%	0.556	24%	0.24	S	C	*	.	H	α-helix	trans	-65.7	-36.6	-177.3	-72.5	-11.2	0	0	0	111.6	K215 C216 D217 S223	K215-N219 VanDerWaalsContact O-CG 3.24Å; K215-N219 PolarHBondContact O-ND2 2.73Å; C216-N219 PolarHBondContact O-N 3.19Å; D217-N219 VanDerWaalsContact C-N 3.33Å; D217-N219 PolarHBondContact O-N 3.18Å; N219-S223 VanDerWaalsContact O-CB 3.31Å; N219-S223 WeakPolarHBondContact O-CB 3.25Å; N219-S223 PolarHBondContact O-N 3.09Å; N219-S223 VanDerWaalsContact O-N 3.13Å; N219-S223 PolarHBondContact O-OG 2.84Å
220	V	88	Confident	85.7	Confident	51 Å²	51	43.3 Å²	43.3	31%	0.309	25%	0.249	S	C	.	.	H	α-helix	trans	-67.2	-46	173.3	176	0	0	0	0	110.6	I31 C216 D217 V218 S223 L224	I31-V220 HydrophobicContact CG2-CG1 3.8Å; C216-V220 PolarHBondContact O-N 3.08Å; D217-V220 PolarHBondContact O-N 3.48Å; V218-V220 VanDerWaalsContact C-N 3.31Å; V218-V220 PolarHBondContact O-N 3.09Å; V220-S223 PolarHBondContact O-N 3Å; V220-L224 HydrophobicContact CG1-CD1 3.82Å; V220-L224 HydrophobicContact CG1-CG 4.42Å; V220-L224 VanDerWaalsContact O-CG 3.28Å; V220-L224 WeakPolarHBondContact O-CG 3.34Å; V220-L224 PolarHBondContact O-N 3.35Å
221	F	89.9	Confident	85.9	Confident	1 Å²	1	44.4 Å²	44.4	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-61	-49.5	179.7	-176.7	-111.8	0	0	0	112.7	L34 V65 C68 L69 V195 I211 M212 D217 V218 S223 L224 I225	L34-F221 HydrophobicContact CD2-CD2 3.53Å; L34-F221 HydrophobicContact CD2-CE2 3.76Å; V65-F221 HydrophobicContact CG1-CZ 4.37Å; C68-F221 HydrophobicContact CB-CD2 4.06Å; C68-F221 HydrophobicContact CB-CE2 3.25Å; C68-F221 HydrophobicContact CB-CZ 3.69Å; L69-F221 HydrophobicContact CD2-CE1 4.24Å; L69-F221 HydrophobicContact CD2-CZ 4.41Å; L69-F221 HydrophobicContact CG-CZ 4.4Å; V195-F221 HydrophobicContact CG1-CD1 3.98Å; V195-F221 HydrophobicContact CG1-CE1 3.6Å; I211-F221 HydrophobicContact CG2-CB 4.36Å; M212-F221 HydrophobicContact CE-CD1 3.56Å; M212-F221 HydrophobicContact CE-CE1 3.5Å; M212-F221 VanDerWaalsContact CE-CE1 3.5Å; M212-F221 HydrophobicContact CE-CG 4.1Å; M212-F221 HydrophobicContact CE-CZ 4.03Å; M212-F221 HydrophobicContact SD-CD1 4.24Å; M212-F221 HydrophobicContact SD-CE1 4.06Å; D217-F221 WeakPolarHBondContact O-CB 3.47Å; D217-F221 PolarHBondContact O-N 2.79Å; V218-F221 PolarHBondContact O-N 3.08Å; F221-S223 VanDerWaalsContact C-N 3.3Å; F221-S223 PolarHBondContact O-N 3.11Å; F221-L224 PolarHBondContact O-N 3.42Å; F221-L224 VanDerWaalsContact O-N 3.16Å; F221-I225 HydrophobicContact CD1-CD1 3.84Å; F221-I225 HydrophobicContact CD2-CD1 4.13Å; F221-I225 HydrophobicContact CE1-CD1 3.42Å; F221-I225 VanDerWaalsContact CE1-CD1 3.42Å; F221-I225 HydrophobicContact CE2-CD1 3.7Å; F221-I225 HydrophobicContact CG-CD1 4.21Å; F221-I225 HydrophobicContact CZ-CD1 3.35Å; F221-I225 WeakPolarHBondContact O-CG1 3.46Å; F221-I225 PolarHBondContact O-N 2.95Å
222	L	87.6	Confident	85.8	Confident	21 Å²	21	49.4 Å²	49.4	11%	0.11	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-39.1	174.9	-73	173.3	0	0	0	112	V195 Q196 V218 L224 I225 R226	V195-L222 HydrophobicContact CB-CD2 4.41Å; V195-L222 HydrophobicContact CG1-CD2 3.72Å; Q196-L222 HydrophobicContact CG-CD2 3.79Å; V218-L222 HydrophobicContact CG1-CD1 3.71Å; V218-L222 HydrophobicContact CG1-CG 4.25Å; V218-L222 WeakPolarHBondContact O-CB 3.43Å; V218-L222 WeakPolarHBondContact O-CG 3.37Å; V218-L222 PolarHBondContact O-N 3.24Å; L222-L224 VanDerWaalsContact C-N 3.33Å; L222-L224 PolarHBondContact O-N 2.9Å; L222-I225 PolarHBondContact O-N 3.41Å; L222-R226 WeakPolarHBondContact O-CG 3.44Å; L222-R226 PolarHBondContact O-N 3.34Å
223	S	88.1	Confident	85.7	Confident	74 Å²	74	50.4 Å²	50.4	52%	0.517	29%	0.285	S	S	.	.	H	α-helix	trans	-67.1	-33.3	176.9	-58.7	0	0	0	0	112.7	N219 V220 F221	N219-S223 VanDerWaalsContact O-CB 3.31Å; N219-S223 WeakPolarHBondContact O-CB 3.25Å; N219-S223 PolarHBondContact O-N 3.09Å; N219-S223 VanDerWaalsContact O-N 3.13Å; N219-S223 PolarHBondContact O-OG 2.84Å; V220-S223 PolarHBondContact O-N 3Å; F221-S223 VanDerWaalsContact C-N 3.3Å; F221-S223 PolarHBondContact O-N 3.11Å
224	L	89.6	Confident	85.1	Confident	27 Å²	27	50.5 Å²	50.5	14%	0.141	28%	0.283	C	S	.	.	H	α-helix	trans	-74.9	-33.3	177.4	-70.7	167.5	0	0	0	113	L34 K35 V38 V220 F221 L222 P228	L34-L224 HydrophobicContact CD2-CB 4.16Å; L34-L224 HydrophobicContact CD2-CD1 3.96Å; L34-L224 HydrophobicContact CG-CB 4.43Å; L34-L224 HydrophobicContact CG-CD1 4.21Å; K35-L224 HydrophobicContact CG-CD1 3.74Å; K35-L224 HydrophobicContact CG-CD2 3.73Å; K35-L224 HydrophobicContact CG-CG 4.39Å; V38-L224 HydrophobicContact CG2-CB 4.45Å; V220-L224 HydrophobicContact CG1-CD1 3.82Å; V220-L224 HydrophobicContact CG1-CG 4.42Å; V220-L224 VanDerWaalsContact O-CG 3.28Å; V220-L224 WeakPolarHBondContact O-CG 3.34Å; V220-L224 PolarHBondContact O-N 3.35Å; F221-L224 PolarHBondContact O-N 3.42Å; F221-L224 VanDerWaalsContact O-N 3.16Å; L222-L224 VanDerWaalsContact C-N 3.33Å; L222-L224 PolarHBondContact O-N 2.9Å; L224-P228 WeakPolarHBondContact O-CD 3.11Å
225	I	89.9	Confident	84.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-76.6	-26.3	-179.2	-72.8	176.1	0	0	0	112.9	F61 V65 L191 V195 F221 L222 G227 P228 C229	F61-I225 HydrophobicContact CZ-CG1 4.21Å; V65-I225 HydrophobicContact CG1-CD1 4.43Å; V65-I225 HydrophobicContact CG2-CD1 4.21Å; V65-I225 HydrophobicContact CG2-CG1 4.38Å; L191-I225 HydrophobicContact CD2-CG2 4.37Å; L191-I225 HydrophobicContact CG-CG2 4.44Å; V195-I225 HydrophobicContact CG2-CD1 4.49Å; F221-I225 HydrophobicContact CD1-CD1 3.84Å; F221-I225 HydrophobicContact CD2-CD1 4.13Å; F221-I225 HydrophobicContact CE1-CD1 3.42Å; F221-I225 VanDerWaalsContact CE1-CD1 3.42Å; F221-I225 HydrophobicContact CE2-CD1 3.7Å; F221-I225 HydrophobicContact CG-CD1 4.21Å; F221-I225 HydrophobicContact CZ-CD1 3.35Å; F221-I225 WeakPolarHBondContact O-CG1 3.46Å; F221-I225 PolarHBondContact O-N 2.95Å; L222-I225 PolarHBondContact O-N 3.41Å; I225-G227 PolarHBondContact O-N 3.01Å; I225-P228 WeakPolarHBondContact O-CD 3.4Å; I225-C229 WeakPolarHBondContact CG2-SG 3.14Å; I225-C229 WeakPolarHBondContact O-CB 3.46Å; I225-C229 PolarHBondContact O-N 3.29Å; I225-C229 PolarHBondContact O-SG 3.33Å
226	R	87.2	Confident	82.7	Confident	126 Å²	126	45.4 Å²	45.4	48%	0.475	27%	0.272	S	S	.	.	H	α-helix	trans	-56.6	-42.2	178.6	-86.1	172	179.1	165.2	2.7	114.5	E192 L222 A230	E192-R226 WeakPolarHBondContact OE1-CG 3.29Å; E192-R226 IonicContact OE1-CZ 2.74Å; E192-R226 IonicContact OE1-NE 3.2Å; E192-R226 PolarHBondContact OE1-NE 3.3Å; E192-R226 IonicContact OE1-NH2 3.61Å; E192-R226 PolarHBondContact OE1-NH2 3.21Å; E192-R226 WeakPolarHBondContact OE2-CG 3.44Å; L222-R226 WeakPolarHBondContact O-CG 3.44Å; L222-R226 PolarHBondContact O-N 3.34Å; R226-A230 PolarHBondContact O-N 3.02Å
227	G	87	Confident	80.8	Confident	25 Å²	25	47.3 Å²	47.3	26%	0.258	28%	0.275	S	S	.	.	H	α-helix	trans	-59.9	-59.5	178.3	0	0	0	0	0	111.8	I225 C229 A230	I225-G227 PolarHBondContact O-N 3.01Å; G227-C229 PolarHBondContact O-N 3.15Å; G227-A230 WeakPolarHBondContact O-CB 3.39Å; G227-A230 PolarHBondContact O-N 3.01Å; G227-A230 VanDerWaalsContact O-N 3.1Å
228	P	87.8	Confident	78.8	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-54.6	-43.8	175.6	-28.7	36.2	0	0	0	113.9	V38 L41 M42 F61 L186 L224 I225 A230 I231 Y233	V38-P228 HydrophobicContact CG1-CG 4.31Å; V38-P228 HydrophobicContact CG2-CG 4.01Å; L41-P228 HydrophobicContact CD2-CB 4.06Å; L41-P228 HydrophobicContact CD2-CG 4.09Å; M42-P228 HydrophobicContact CE-CB 4.4Å; M42-P228 HydrophobicContact CE-CG 3.77Å; F61-P228 HydrophobicContact CD1-CB 4.36Å; F61-P228 HydrophobicContact CD2-CG 4.18Å; F61-P228 HydrophobicContact CE1-CB 3.76Å; F61-P228 HydrophobicContact CE1-CG 4.25Å; F61-P228 HydrophobicContact CE2-CB 4.04Å; F61-P228 HydrophobicContact CE2-CG 3.58Å; F61-P228 HydrophobicContact CZ-CB 3.58Å; F61-P228 HydrophobicContact CZ-CG 3.61Å; L186-P228 HydrophobicContact CD1-CB 4.17Å; L224-P228 WeakPolarHBondContact O-CD 3.11Å; I225-P228 WeakPolarHBondContact O-CD 3.4Å; P228-A230 PolarHBondContact O-N 3.11Å; P228-I231 WeakPolarHBondContact O-CB 3.45Å; P228-I231 PolarHBondContact O-N 3.39Å; P228-I231 VanDerWaalsContact O-N 3.13Å; P228-Y233 WeakPolarHBondContact O-CE2 3.19Å; P228-Y233 PolarHBondContact O-OH 2.88Å; P228-Y233 VanDerWaalsContact O-OH 3.09Å
229	C	87.2	Confident	76.8	Confident	9 Å²	9	58.5 Å²	58.5	6%	0.061	32%	0.323	C	S	.	.	H	α-helix	trans	-66	-18.9	179.3	-64.5	0	0	0	0	114.1	K189 E192 I225 G227	K189-C229 WeakPolarHBondContact CD-O 3.43Å; E192-C229 HydrophobicContact CB-CB 4.46Å; I225-C229 WeakPolarHBondContact CG2-SG 3.14Å; I225-C229 WeakPolarHBondContact O-CB 3.46Å; I225-C229 PolarHBondContact O-N 3.29Å; I225-C229 PolarHBondContact O-SG 3.33Å; G227-C229 PolarHBondContact O-N 3.15Å
230	A	85.7	Confident	74.4	Confident	71 Å²	71	56.6 Å²	56.6	59%	0.587	31%	0.313	S	S	*	.	H	α-helix	trans	-79.8	-25.3	175.4	0	0	0	0	0	113	K189 R226 G227 P228	K189-A230 PolarHBondContact NZ-O 3.37Å; R226-A230 PolarHBondContact O-N 3.02Å; G227-A230 WeakPolarHBondContact O-CB 3.39Å; G227-A230 PolarHBondContact O-N 3.01Å; G227-A230 VanDerWaalsContact O-N 3.1Å; P228-A230 PolarHBondContact O-N 3.11Å
231	I	83.9	Confident	72.3	Confident	22 Å²	22	58.6 Å²	58.6	11%	0.113	33%	0.329	C	S	.	.	S	Bend	trans	-62.9	144.4	-175.2	-67.6	175.6	0	0	0	111.4	L41 M42 A45 I51 K189 P228 Y233	L41-I231 HydrophobicContact CG-CD1 4.48Å; M42-I231 HydrophobicContact CE-CD1 3.42Å; M42-I231 VanDerWaalsContact CE-CD1 3.42Å; M42-I231 HydrophobicContact CE-CG1 4.35Å; M42-I231 HydrophobicContact SD-CD1 4.3Å; A45-I231 HydrophobicContact CB-CD1 3.53Å; A45-I231 HydrophobicContact CB-CG1 4.16Å; I51-I231 HydrophobicContact CB-CG2 4.22Å; I51-I231 HydrophobicContact CD1-CD1 3.96Å; I51-I231 HydrophobicContact CD1-CG2 4.11Å; I51-I231 HydrophobicContact CG1-CG2 4.07Å; K189-I231 WeakPolarHBondContact CE-O 3.45Å; K189-I231 PolarHBondContact NZ-O 2.87Å; P228-I231 WeakPolarHBondContact O-CB 3.45Å; P228-I231 PolarHBondContact O-N 3.39Å; P228-I231 VanDerWaalsContact O-N 3.13Å; I231-Y233 HydrophobicContact CB-CE1 4.36Å; I231-Y233 HydrophobicContact CB-CE2 4.06Å; I231-Y233 HydrophobicContact CG2-CD1 4.16Å; I231-Y233 HydrophobicContact CG2-CE1 3.85Å; I231-Y233 HydrophobicContact CG2-CE2 4.24Å; I231-Y233 HydrophobicContact CG2-CG 4.48Å; I231-Y233 PolarHBondContact O-N 3.05Å
232	N	79.7	Confident	69.9	Low	105 Å²	105	68.6 Å²	68.6	56%	0.561	37%	0.368	S	S	*	.			trans	-84.6	104.6	164.6	-69.8	-19	0	0	0	108.8	S50 I51 K189	S50-N232 WeakPolarHBondContact CA-O 3.2Å; I51-N232 PolarHBondContact N-O 2.94Å; K189-N232 PolarHBondContact NZ-OD1 3.5Å
233	Y	81.3	Confident	67.9	Low	24 Å²	24	74.1 Å²	74.1	9%	0.094	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	141.3	166.4	-59.9	-72.9	0	0	0	109.3	I51 V58 L186 P228 I231	I51-Y233 HydrophobicContact CB-CD1 3.87Å; I51-Y233 HydrophobicContact CB-CE1 4.04Å; I51-Y233 HydrophobicContact CG2-CD1 3.89Å; I51-Y233 HydrophobicContact CG2-CE1 3.94Å; I51-Y233 CarbonylContact O-C 3.55Å; I51-Y233 VanDerWaalsContact O-CA 3.28Å; I51-Y233 WeakPolarHBondContact O-CA 3.43Å; V58-Y233 HydrophobicContact CG2-CD1 3.88Å; V58-Y233 HydrophobicContact CG2-CE1 3.44Å; V58-Y233 VanDerWaalsContact CG2-CE1 3.44Å; L186-Y233 HydrophobicContact CD1-CE2 3.74Å; L186-Y233 HydrophobicContact CD2-CE2 4.06Å; L186-Y233 HydrophobicContact CG-CD2 4.21Å; L186-Y233 HydrophobicContact CG-CE2 3.53Å; P228-Y233 WeakPolarHBondContact O-CE2 3.19Å; P228-Y233 PolarHBondContact O-OH 2.88Å; P228-Y233 VanDerWaalsContact O-OH 3.09Å; I231-Y233 HydrophobicContact CB-CE1 4.36Å; I231-Y233 HydrophobicContact CB-CE2 4.06Å; I231-Y233 HydrophobicContact CG2-CD1 4.16Å; I231-Y233 HydrophobicContact CG2-CE1 3.85Å; I231-Y233 HydrophobicContact CG2-CE2 4.24Å; I231-Y233 HydrophobicContact CG2-CG 4.48Å; I231-Y233 PolarHBondContact O-N 3.05Å
234	S	68.5	Low	66	Low	37 Å²	37	74.1 Å²	74.1	26%	0.259	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	124.9	172.9	46.8	0	0	0	0	110	S50 I51 E53 T236	S50-S234 WeakPolarHBondContact CB-OG 3.21Å; S50-S234 PolarHBondContact OG-OG 3.24Å; I51-S234 PolarHBondContact O-N 2.94Å; E53-S234 PolarHBondContact N-O 3.09Å; S234-T236 PolarHBondContact O-N 3.29Å; S234-T236 VanDerWaalsContact O-N 3.17Å
235	S	61.3	Low	64.4	Low	76 Å²	76	78 Å²	78	53%	0.531	40%	0.403	S	S	.	.			trans	-53.5	120.1	165	57.7	0	0	0	0	107.9	E53	E53-S235 VanDerWaalsContact OE1-CA 3.32Å; E53-S235 WeakPolarHBondContact OE1-CA 3.27Å; E53-S235 PolarHBondContact OE1-N 3.3Å
236	T	51.6	Low	63.2	Low	45 Å²	45	79.2 Å²	79.2	28%	0.276	41%	0.409	S	S	.	.	S	Bend	trans	-62.4	143.8	173.6	61.7	0	0	0	0	108.4	P52 D54 S234	P52-T236 HydrophobicContact CB-CG2 3.72Å; D54-T236 HydrophobicContact CB-CG2 4Å; D54-T236 VanDerWaalsContact CG-CG2 3.47Å; D54-T236 WeakPolarHBondContact OD1-CB 3.27Å; D54-T236 WeakPolarHBondContact OD1-CG2 3.41Å; D54-T236 PolarHBondContact OD1-OG1 3.09Å; D54-T236 PolarHBondContact OD2-OG1 2.77Å; S234-T236 PolarHBondContact O-N 3.29Å; S234-T236 VanDerWaalsContact O-N 3.17Å
237	I	46.2	Very low	62.7	Low	129 Å²	129	76.8 Å²	76.8	66%	0.662	40%	0.403	S	S	*	.			cis	-141.1	112.2	22.9	-60.3	160.2	0	0	0	108.9	K239	I237-K239 HydrophobicContact CG2-CG 4.36Å; I237-K239 PolarHBondContact O-N 2.88Å
238	H	40.9	Very low	62.2	Low	178 Å²	178	75.6 Å²	75.6	82%	0.824	39%	0.391	S	S	*	.			trans	-66.3	103.7	147.2	-101.6	-72.7	0	0	0	106.3	D240	H238-D240 PolarHBondContact O-N 3.41Å; H238-D240 VanDerWaalsContact O-N 3.1Å
239	K	44.1	Very low	61.5	Low	104 Å²	104	78.8 Å²	78.8	45%	0.452	41%	0.408	S	S	.	.			trans	-56.4	116.7	160.9	-79.5	-179.5	-178.3	173.4	0	103.7	I237 S241 L244 E1061	I237-K239 HydrophobicContact CG2-CG 4.36Å; I237-K239 PolarHBondContact O-N 2.88Å; K239-S241 PolarHBondContact O-N 3.43Å; K239-L244 HydrophobicContact CB-CD1 3.52Å; K239-L244 HydrophobicContact CB-CG 4.21Å; K239-L244 HydrophobicContact CD-CD1 3.82Å; K239-L244 HydrophobicContact CD-CD2 3.79Å; K239-L244 HydrophobicContact CD-CG 3.94Å; K239-L244 HydrophobicContact CG-CD1 4.31Å; K239-E1061 IonicContact NZ-OE1 2.74Å; K239-E1061 PolarHBondContact NZ-OE1 3Å; K239-E1061 VanDerWaalsContact NZ-OE1 3.13Å
240	D	37.2	Very low	60.8	Low	63 Å²	63	81.1 Å²	81.1	34%	0.337	42%	0.418	S	S	.	.			trans	-53.6	119.9	-177.4	-72	-34	0	0	0	108.3	H238 Y242 W243 R326	H238-D240 PolarHBondContact O-N 3.41Å; H238-D240 VanDerWaalsContact O-N 3.1Å; D240-Y242 PolarHBondContact O-N 3.37Å; D240-W243 PolarHBondContact O-N 2.94Å; D240-R326 IonicContact OD1-CZ 3.42Å; D240-R326 IonicContact OD1-NH1 3.7Å; D240-R326 PolarHBondContact OD1-NH1 3.3Å; D240-R326 IonicContact OD1-NH2 3.7Å; D240-R326 PolarHBondContact OD1-NH2 3.41Å; D240-R326 IonicContact OD2-CZ 3.48Å; D240-R326 IonicContact OD2-NE 3.29Å; D240-R326 IonicContact OD2-NH1 2.92Å; D240-R326 PolarHBondContact OD2-NH1 2.97Å; D240-R326 IonicContact OD2-NH2 2.69Å; D240-R326 PolarHBondContact OD2-NH2 3.21Å
241	S	43.5	Very low	60.4	Low	93 Å²	93	78.7 Å²	78.7	65%	0.65	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-11.5	-165.4	-167.2	0	0	0	0	114.5	K239	K239-S241 PolarHBondContact O-N 3.43Å
242	Y	40	Very low	59.9	Low	211 Å²	211	78.9 Å²	78.9	83%	0.827	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-30.6	171.6	-113.6	-94.9	0	0	0	113.5	D240	D240-Y242 PolarHBondContact O-N 3.37Å
243	W	45.5	Very low	59.3	Low	138 Å²	138	76.5 Å²	76.5	52%	0.523	38%	0.381	S	S	.	.	S	Bend	trans	-99.5	-4.5	-170.6	-58.7	83.6	0	0	0	114.3	D240 L246	D240-W243 PolarHBondContact O-N 2.94Å; W243-L246 HydrophobicContact CE3-CD1 4.15Å
244	L	48.1	Very low	58.6	Low	74 Å²	74	77.9 Å²	77.9	39%	0.387	39%	0.386	S	S	.	.	S	Bend	trans	-87.7	-13.9	170.9	-86.3	153.4	0	0	0	112.9	K239	K239-L244 HydrophobicContact CB-CD1 3.52Å; K239-L244 HydrophobicContact CB-CG 4.21Å; K239-L244 HydrophobicContact CD-CD1 3.82Å; K239-L244 HydrophobicContact CD-CD2 3.79Å; K239-L244 HydrophobicContact CD-CG 3.94Å; K239-L244 HydrophobicContact CG-CD1 4.31Å
245	N	54.8	Low	58.4	Low	109 Å²	109	77.7 Å²	77.7	58%	0.583	38%	0.381	S	S	*	.			trans	-119.2	21.1	-170.4	-85.8	-29.2	0	0	0	114.2	K1067	N245-K1067 PolarHBondContact OD1-NZ 3.01Å
246	L	65.8	Low	58.4	Low	24 Å²	24	81.4 Å²	81.4	13%	0.126	38%	0.384	C	S	.	.			trans	-58.6	138.7	167.5	-72.7	139	0	0	0	110	W243 E250 L251	W243-L246 HydrophobicContact CE3-CD1 4.15Å; L246-E250 WeakPolarHBondContact CA-OE2 3.29Å; L246-E250 HydrophobicContact CD2-CB 4.06Å; L246-E250 WeakPolarHBondContact CD2-OE2 3.17Å; L246-L251 HydrophobicContact CB-CD2 3.84Å; L246-L251 HydrophobicContact CB-CG 4.13Å; L246-L251 HydrophobicContact CD1-CD2 4.15Å
247	H	75.7	Confident	58.1	Low	76 Å²	76	83.5 Å²	83.5	35%	0.352	39%	0.389	S	S	.	.			trans	-72.3	148.7	174.1	-169	-108.7	0	0	0	109.6	N249 E250 L251 E1071	H247-N249 PolarHBondContact O-N 3.32Å; H247-N249 VanDerWaalsContact O-N 3.11Å; H247-E250 HydrophobicContact CB-CG 4.34Å; H247-E250 PolarHBondContact N-OE2 2.6Å; H247-E250 WeakPolarHBondContact O-CB 3.34Å; H247-E250 PolarHBondContact O-N 3.39Å; H247-L251 PolarHBondContact O-N 2.72Å; H247-E1071 VanDerWaalsContact CD2-CD 3.43Å; H247-E1071 IonicContact CD2-OE1 3.8Å; H247-E1071 IonicContact CD2-OE2 3.5Å; H247-E1071 PolarHBondContact CD2-OE2 3.5Å; H247-E1071 VanDerWaalsContact CD2-OE2 3.3Å; H247-E1071 IonicContact CG-OE2 2.86Å; H247-E1071 IonicContact NE2-OE2 2.64Å
248	A	77.4	Confident	58.4	Low	0 Å²	0	81 Å²	81	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-57.7	-30.2	-175.8	0	0	0	0	0	114.2	L251 I252 F1068 E1071 I1072	A248-L251 PolarHBondContact O-N 3.13Å; A248-I252 WeakPolarHBondContact O-CG1 3.45Å; A248-I252 PolarHBondContact O-N 3.48Å; A248-I252 VanDerWaalsContact O-N 3.1Å; A248-F1068 HydrophobicContact CB-CB 4.46Å; A248-F1068 HydrophobicContact CB-CD2 3.5Å; A248-F1068 HydrophobicContact CB-CE2 4.01Å; A248-F1068 HydrophobicContact CB-CG 4.15Å; A248-E1071 HydrophobicContact CB-CB 3.6Å; A248-E1071 WeakPolarHBondContact CB-OE2 3.19Å; A248-E1071 PolarHBondContact N-OE2 2.89Å; A248-I1072 HydrophobicContact CB-CD1 3.59Å; A248-I1072 HydrophobicContact CB-CG1 3.51Å
249	N	73.9	Confident	58.7	Low	66 Å²	66	74.3 Å²	74.3	35%	0.353	35%	0.353	S	S	.	.	H	α-helix	trans	-62.5	-46.4	172.3	-67.3	-12.1	0	0	0	112.1	H247 L251 I252 E253	H247-N249 PolarHBondContact O-N 3.32Å; H247-N249 VanDerWaalsContact O-N 3.11Å; N249-L251 VanDerWaalsContact C-N 3.27Å; N249-L251 PolarHBondContact O-N 2.91Å; N249-I252 WeakPolarHBondContact O-CB 3.3Å; N249-I252 PolarHBondContact O-N 2.89Å; N249-I252 VanDerWaalsContact O-N 3.14Å; N249-E253 WeakPolarHBondContact O-CG 3.39Å; N249-E253 PolarHBondContact O-N 2.87Å
250	E	72.3	Confident	58.6	Low	59 Å²	59	71.7 Å²	71.7	28%	0.276	34%	0.344	S	S	.	.	H	α-helix	trans	-63.1	-35.6	178.6	-56.8	175.5	116.7	0	0	111.3	L246 H247 E253 R254 N317	L246-E250 WeakPolarHBondContact CA-OE2 3.29Å; L246-E250 HydrophobicContact CD2-CB 4.06Å; L246-E250 WeakPolarHBondContact CD2-OE2 3.17Å; H247-E250 HydrophobicContact CB-CG 4.34Å; H247-E250 PolarHBondContact N-OE2 2.6Å; H247-E250 WeakPolarHBondContact O-CB 3.34Å; H247-E250 PolarHBondContact O-N 3.39Å; E250-E253 PolarHBondContact O-N 3.07Å; E250-R254 WeakPolarHBondContact O-CB 3.49Å; E250-R254 VanDerWaalsContact O-CG 3.3Å; E250-R254 WeakPolarHBondContact O-CG 3.22Å; E250-R254 PolarHBondContact O-N 3.41Å; E250-N317 PolarHBondContact OE1-ND2 3.34Å
251	L	76.2	Confident	58.5	Low	20 Å²	20	70.2 Å²	70.2	11%	0.105	34%	0.337	C	S	.	.	H	α-helix	trans	-65.6	-40.7	174.7	-63.8	179.2	0	0	0	112.1	L246 H247 A248 N249 Q255 V1054 M1060 F1068	L246-L251 HydrophobicContact CB-CD2 3.84Å; L246-L251 HydrophobicContact CB-CG 4.13Å; L246-L251 HydrophobicContact CD1-CD2 4.15Å; H247-L251 PolarHBondContact O-N 2.72Å; A248-L251 PolarHBondContact O-N 3.13Å; N249-L251 VanDerWaalsContact C-N 3.27Å; N249-L251 PolarHBondContact O-N 2.91Å; L251-Q255 PolarHBondContact O-N 3.43Å; L251-V1054 HydrophobicContact CB-CG1 3.82Å; L251-M1060 HydrophobicContact CD1-SD 4.45Å; L251-F1068 HydrophobicContact CB-CE2 4.39Å; L251-F1068 HydrophobicContact CD1-CD2 4.13Å
252	I	73.9	Confident	58.1	Low	26 Å²	26	69.9 Å²	69.9	13%	0.133	33%	0.328	C	S	.	.	H	α-helix	trans	-64.4	-45.5	174.2	-69.6	164.7	0	0	0	110.6	A248 N249 Q255 R256 Y1051 F1068 I1072	A248-I252 WeakPolarHBondContact O-CG1 3.45Å; A248-I252 PolarHBondContact O-N 3.48Å; A248-I252 VanDerWaalsContact O-N 3.1Å; N249-I252 WeakPolarHBondContact O-CB 3.3Å; N249-I252 PolarHBondContact O-N 2.89Å; N249-I252 VanDerWaalsContact O-N 3.14Å; I252-Q255 WeakPolarHBondContact O-CB 3.4Å; I252-Q255 PolarHBondContact O-N 3.14Å; I252-R256 WeakPolarHBondContact O-CG 3.28Å; I252-R256 PolarHBondContact O-N 3.32Å; I252-Y1051 HydrophobicContact CD1-CD1 4.21Å; I252-Y1051 HydrophobicContact CD1-CE1 3.68Å; I252-Y1051 HydrophobicContact CG1-CD1 4.21Å; I252-Y1051 HydrophobicContact CG1-CE1 4.13Å; I252-F1068 HydrophobicContact CD1-CZ 4.49Å; I252-F1068 HydrophobicContact CG1-CE2 4.24Å; I252-F1068 HydrophobicContact CG1-CZ 4.25Å; I252-I1072 HydrophobicContact CD1-CD1 3.52Å; I252-I1072 HydrophobicContact CD1-CG1 3.96Å; I252-I1072 HydrophobicContact CD1-CG2 4.45Å; I252-I1072 HydrophobicContact CG1-CD1 4.34Å
253	E	67.6	Low	57.9	Low	54 Å²	54	65.9 Å²	65.9	25%	0.252	32%	0.316	S	S	.	.	H	α-helix	trans	-66.6	-46.1	-177.4	-71.7	-173.6	155.6	0	0	112.4	N249 E250 Q255 R256 F257	N249-E253 WeakPolarHBondContact O-CG 3.39Å; N249-E253 PolarHBondContact O-N 2.87Å; E250-E253 PolarHBondContact O-N 3.07Å; E253-Q255 PolarHBondContact O-N 3.47Å; E253-R256 WeakPolarHBondContact O-CA 3.17Å; E253-R256 WeakPolarHBondContact O-CB 3.4Å; E253-R256 PolarHBondContact O-N 2.86Å; E253-F257 HydrophobicContact CB-CE2 4.32Å; E253-F257 WeakPolarHBondContact O-CD2 3.36Å; E253-F257 PolarHBondContact O-N 2.96Å
254	R	66.5	Low	57.2	Low	53 Å²	53	61.5 Å²	61.5	20%	0.2	30%	0.303	C	S	.	.	H	α-helix	trans	-55.4	-36.4	172.2	-77.2	175.7	162.9	178.6	2.1	112.5	E250 T258 D320	E250-R254 WeakPolarHBondContact O-CB 3.49Å; E250-R254 VanDerWaalsContact O-CG 3.3Å; E250-R254 WeakPolarHBondContact O-CG 3.22Å; E250-R254 PolarHBondContact O-N 3.41Å; R254-T258 WeakPolarHBondContact O-CB 3.07Å; R254-T258 PolarHBondContact O-N 3Å; R254-T258 PolarHBondContact O-OG1 2.98Å; R254-D320 IonicContact CZ-OD2 3Å; R254-D320 VanDerWaalsContact CZ-OD2 3.27Å; R254-D320 IonicContact NE-OD2 2.92Å; R254-D320 PolarHBondContact NE-OD2 3.05Å; R254-D320 VanDerWaalsContact NE-OD2 3.12Å; R254-D320 IonicContact NH2-OD1 3.13Å; R254-D320 IonicContact NH2-OD2 2.72Å; R254-D320 PolarHBondContact NH2-OD2 3.41Å
255	Q	64.1	Low	56.5	Low	34 Å²	34	60.6 Å²	60.6	16%	0.159	30%	0.297	C	S	.	.	H	α-helix	trans	-69.1	-39.3	171.7	174.6	162	-58.9	0	0	113.2	L251 I252 E253 F257 T258 S259 D1053 V1054	L251-Q255 PolarHBondContact O-N 3.43Å; I252-Q255 WeakPolarHBondContact O-CB 3.4Å; I252-Q255 PolarHBondContact O-N 3.14Å; E253-Q255 PolarHBondContact O-N 3.47Å; Q255-F257 VanDerWaalsContact C-N 3.32Å; Q255-F257 PolarHBondContact O-N 3.01Å; Q255-T258 PolarHBondContact O-N 3.12Å; Q255-S259 VanDerWaalsContact O-CB 3.23Å; Q255-S259 WeakPolarHBondContact O-CB 3.37Å; Q255-S259 PolarHBondContact O-N 3.32Å; Q255-S259 PolarHBondContact O-OG 3.22Å; Q255-D1053 PolarHBondContact OE1-O 3.45Å; Q255-D1053 VanDerWaalsContact OE1-O 3.06Å; Q255-V1054 HydrophobicContact CB-CG2 4.33Å; Q255-V1054 VanDerWaalsContact CD-CG2 3.49Å; Q255-V1054 HydrophobicContact CG-CG2 4.49Å
256	R	60.9	Low	55.3	Low	154 Å²	154	60.4 Å²	60.4	58%	0.581	30%	0.3	S	S	*	.	H	α-helix	trans	-56.9	-47.3	175.4	-70.3	171.9	178.5	172.2	-0.5	110.2	I252 E253 S259 I260	I252-R256 WeakPolarHBondContact O-CG 3.28Å; I252-R256 PolarHBondContact O-N 3.32Å; E253-R256 WeakPolarHBondContact O-CA 3.17Å; E253-R256 WeakPolarHBondContact O-CB 3.4Å; E253-R256 PolarHBondContact O-N 2.86Å; R256-S259 WeakPolarHBondContact O-CB 3.34Å; R256-S259 PolarHBondContact O-N 2.87Å; R256-I260 WeakPolarHBondContact O-CD1 3.26Å; R256-I260 VanDerWaalsContact O-CG1 3.28Å; R256-I260 WeakPolarHBondContact O-CG1 3.43Å; R256-I260 PolarHBondContact O-N 3.4Å
257	F	45.5	Very low	53.5	Low	89 Å²	89	63.4 Å²	63.4	39%	0.39	32%	0.319	S	S	.	.	H	α-helix	trans	-63.5	-42.9	175.4	-62.4	-62.9	0	0	0	113.3	E253 Q255 S259 I260 T261 N318	E253-F257 HydrophobicContact CB-CE2 4.32Å; E253-F257 WeakPolarHBondContact O-CD2 3.36Å; E253-F257 PolarHBondContact O-N 2.96Å; Q255-F257 VanDerWaalsContact C-N 3.32Å; Q255-F257 PolarHBondContact O-N 3.01Å; F257-S259 VanDerWaalsContact C-N 3.28Å; F257-S259 PolarHBondContact O-N 3.34Å; F257-I260 PolarHBondContact O-N 3.24Å; F257-T261 PolarHBondContact O-N 3.18Å; F257-T261 PolarHBondContact O-OG1 3.39Å; F257-N318 WeakPolarHBondContact CE1-OD1 3.42Å; F257-N318 WeakPolarHBondContact CZ-OD1 3.24Å
258	T	53	Low	51.2	Low	75 Å²	75	68 Å²	68	46%	0.46	34%	0.335	S	S	.	.	H	α-helix	trans	-62.9	-36.4	175.2	-55.3	0	0	0	0	111.7	R254 Q255 T261 N262	R254-T258 WeakPolarHBondContact O-CB 3.07Å; R254-T258 PolarHBondContact O-N 3Å; R254-T258 PolarHBondContact O-OG1 2.98Å; Q255-T258 PolarHBondContact O-N 3.12Å; T258-T261 PolarHBondContact O-N 3.48Å; T258-N262 WeakPolarHBondContact O-CB 3.35Å; T258-N262 PolarHBondContact O-N 3.45Å; T258-N262 PolarHBondContact O-ND2 2.96Å
259	S	46.3	Very low	48.8	Very low	38 Å²	38	73 Å²	73	27%	0.266	37%	0.369	S	S	.	.	H	α-helix	trans	-71	-41.8	178.7	-59	0	0	0	0	111.8	Q255 R256 F257 T261 N262 Q263	Q255-S259 VanDerWaalsContact O-CB 3.23Å; Q255-S259 WeakPolarHBondContact O-CB 3.37Å; Q255-S259 PolarHBondContact O-N 3.32Å; Q255-S259 PolarHBondContact O-OG 3.22Å; R256-S259 WeakPolarHBondContact O-CB 3.34Å; R256-S259 PolarHBondContact O-N 2.87Å; F257-S259 VanDerWaalsContact C-N 3.28Å; F257-S259 PolarHBondContact O-N 3.34Å; S259-T261 VanDerWaalsContact C-N 3.3Å; S259-T261 PolarHBondContact O-N 2.81Å; S259-N262 PolarHBondContact O-N 3Å; S259-Q263 WeakPolarHBondContact O-CB 3.46Å; S259-Q263 VanDerWaalsContact O-CG 3.25Å; S259-Q263 WeakPolarHBondContact O-CG 3.45Å; S259-Q263 PolarHBondContact O-N 3.03Å
260	I	41.7	Very low	46.4	Very low	50 Å²	50	75.2 Å²	75.2	26%	0.256	39%	0.388	S	S	.	.	H	α-helix	trans	-59.4	-44.4	172.3	-68.3	160.9	0	0	0	109.9	R256 F257 N262 Q263 L432	R256-I260 WeakPolarHBondContact O-CD1 3.26Å; R256-I260 VanDerWaalsContact O-CG1 3.28Å; R256-I260 WeakPolarHBondContact O-CG1 3.43Å; R256-I260 PolarHBondContact O-N 3.4Å; F257-I260 PolarHBondContact O-N 3.24Å; I260-N262 VanDerWaalsContact C-N 3.35Å; I260-N262 PolarHBondContact O-N 3.43Å; I260-Q263 PolarHBondContact O-N 3.47Å; I260-L432 HydrophobicContact CG2-CD2 4.49Å
261	T	36.8	Very low	44.2	Very low	31 Å²	31	80.1 Å²	80.1	19%	0.19	42%	0.415	C	S	.	.	H	α-helix	trans	-63.4	-38.8	177.7	-48	0	0	0	0	112.2	F257 T258 S259	F257-T261 PolarHBondContact O-N 3.18Å; F257-T261 PolarHBondContact O-OG1 3.39Å; T258-T261 PolarHBondContact O-N 3.48Å; S259-T261 VanDerWaalsContact C-N 3.3Å; S259-T261 PolarHBondContact O-N 2.81Å
262	N	34.6	Very low	41.9	Very low	86 Å²	86	85.3 Å²	85.3	46%	0.46	44%	0.443	S	S	.	.	H	α-helix	trans	-81.1	-27.8	-179.8	-76.1	-22.1	0	0	0	114.2	T258 S259 I260 N264 Q265	T258-N262 WeakPolarHBondContact O-CB 3.35Å; T258-N262 PolarHBondContact O-N 3.45Å; T258-N262 PolarHBondContact O-ND2 2.96Å; S259-N262 PolarHBondContact O-N 3Å; I260-N262 VanDerWaalsContact C-N 3.35Å; I260-N262 PolarHBondContact O-N 3.43Å; N262-N264 PolarHBondContact O-N 2.96Å; N262-Q265 WeakPolarHBondContact O-CB 3.48Å; N262-Q265 PolarHBondContact O-N 3.33Å
263	Q	35.3	Very low	39.8	Very low	127 Å²	127	91.2 Å²	91.2	59%	0.593	48%	0.479	S	S	*	.	H	α-helix	trans	-63.3	-32.9	176.2	-80	173.4	12.1	0	0	111.7	S259 I260 Q265 T266	S259-Q263 WeakPolarHBondContact O-CB 3.46Å; S259-Q263 VanDerWaalsContact O-CG 3.25Å; S259-Q263 WeakPolarHBondContact O-CG 3.45Å; S259-Q263 PolarHBondContact O-N 3.03Å; I260-Q263 PolarHBondContact O-N 3.47Å; Q263-Q265 PolarHBondContact O-N 2.87Å; Q263-T266 PolarHBondContact O-N 3.11Å; Q263-T266 PolarHBondContact O-OG1 3.5Å
264	N	32	Very low	38.1	Very low	46 Å²	46	92.3 Å²	92.3	25%	0.246	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-11.2	173	-70	-2	0	0	0	113.6	N262 I434	N262-N264 PolarHBondContact O-N 2.96Å; N264-I434 PolarHBondContact ND2-O 3.47Å; N264-I434 VanDerWaalsContact ND2-O 3.07Å
265	Q	33.4	Very low	36.6	Very low	56 Å²	56	97 Å²	97	26%	0.262	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	1.1	174	-60.6	-162	9	0	0	114	N262 Q263	N262-Q265 WeakPolarHBondContact O-CB 3.48Å; N262-Q265 PolarHBondContact O-N 3.33Å; Q263-Q265 PolarHBondContact O-N 2.87Å
266	T	29.4	Very low	35	Very low	104 Å²	104	104.4 Å²	104.4	64%	0.638	55%	0.549	S	S	*	.			trans	-129.4	46	177	57.4	0	0	0	0	112.6	Q263 Y268	Q263-T266 PolarHBondContact O-N 3.11Å; Q263-T266 PolarHBondContact O-OG1 3.5Å; T266-Y268 PolarHBondContact O-N 2.89Å
267	V	27	Very low	33.7	Very low	87 Å²	87	100.8 Å²	100.8	53%	0.527	54%	0.54	S	S	.	.			trans	-80.1	56.8	172.7	-169.2	0	0	0	0	110.8
268	Y	27.7	Very low	32.8	Very low	173 Å²	173	105.7 Å²	105.7	68%	0.678	56%	0.562	S	S	*	*	S	Bend	trans	-152.2	58.1	166.7	-77.8	-57.9	0	0	0	112.5	T266 I465	T266-Y268 PolarHBondContact O-N 2.89Å; Y268-I465 HydrophobicContact CE2-CD1 4.18Å; Y268-I465 WeakPolarHBondContact OH-CD1 3.34Å
269	S	25.9	Very low	31.7	Very low	104 Å²	104	103.6 Å²	103.6	73%	0.727	55%	0.55	S	S	*	.			trans	-179.2	138.1	141.7	-84.6	0	0	0	0	110.6
270	P	25.4	Very low	30.8	Very low	114 Å²	114	107.8 Å²	107.8	74%	0.74	58%	0.576	S	S	*	*			trans	-72	151.9	174.7	31.9	-34.9	0	0	0	111.5
271	L	25.2	Very low	30.3	Very low	162 Å²	162	107.5 Å²	107.5	85%	0.848	58%	0.575	S	S	*	*			trans	19.5	108.5	159.8	-71	80.5	0	0	0	117.3
272	N	27	Very low	30	Very low	128 Å²	128	112 Å²	112	68%	0.684	60%	0.602	S	S	*	*			trans	-171	127.1	132	-94	-36.9	0	0	0	111	S274	N272-S274 PolarHBondContact O-N 3.38Å
273	V	30.8	Very low	29.7	Very low	150 Å²	150	114.2 Å²	114.2	91%	0.909	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	49.3	173	-172.4	0	0	0	0	109.4
274	S	32.7	Very low	29.3	Very low	77 Å²	77	113.2 Å²	113.2	54%	0.538	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-147.9	9.9	-166.6	-49	0	0	0	0	114.3	N272	N272-S274 PolarHBondContact O-N 3.38Å
275	Q	33.3	Very low	29.2	Very low	151 Å²	151	118.7 Å²	118.7	71%	0.706	63%	0.633	S	S	*	*			trans	-128.9	9.5	-176.3	-70.3	-170.8	-14.9	0	0	115.2	I277	Q275-I277 VanDerWaalsContact C-N 3.25Å; Q275-I277 PolarHBondContact O-N 3.49Å
276	K	31.5	Very low	28.9	Very low	191 Å²	191	123.5 Å²	123.5	83%	0.83	66%	0.661	S	S	*	*			trans	-87.2	24.1	173	-80	-166.4	174.7	-173.7	0	114.3
277	I	33.2	Very low	29	Very low	77 Å²	77	126.7 Å²	126.7	40%	0.395	67%	0.673	S	S	.	*			trans	-112.4	88.6	164.3	-54.7	177.2	0	0	0	107.4	Q275 I1091	Q275-I277 VanDerWaalsContact C-N 3.25Å; Q275-I277 PolarHBondContact O-N 3.49Å; I277-I1091 HydrophobicContact CD1-CD1 4.07Å
278	K	27.4	Very low	29	Very low	193 Å²	193	130 Å²	130	84%	0.839	69%	0.688	S	S	*	*			trans	-105.1	63.5	163.8	-75.4	-169.7	177.2	-177.6	0	109.5
279	S	29.7	Very low	29	Very low	30 Å²	30	131.1 Å²	131.1	21%	0.21	70%	0.697	C	S	.	*	S	Bend	trans	-74.7	157.9	150.3	53.5	0	0	0	0	108.7	I281	S279-I281 PolarHBondContact O-N 2.96Å
280	P	26.4	Very low	29.3	Very low	127 Å²	127	133.4 Å²	133.4	83%	0.825	70%	0.699	S	S	*	*	S	Bend	trans	-78.3	68.2	-177.4	32.8	-35.9	0	0	0	111.7
281	I	31.5	Very low	29.3	Very low	44 Å²	44	135.8 Å²	135.8	23%	0.226	70%	0.701	C	S	.	*			trans	-129.2	95.4	167	-61.2	171.4	0	0	0	107.5	S279 Y283 Y682 M686	S279-I281 PolarHBondContact O-N 2.96Å; I281-Y283 HydrophobicContact CG2-CD2 3.86Å; I281-Y283 HydrophobicContact CG2-CE2 3.48Å; I281-Y283 VanDerWaalsContact CG2-CE2 3.48Å; I281-Y682 HydrophobicContact CB-CE2 4.49Å; I281-Y682 HydrophobicContact CG1-CE2 4.22Å; I281-Y682 HydrophobicContact CG2-CE2 3.78Å; I281-M686 HydrophobicContact CD1-CE 3.47Å; I281-M686 VanDerWaalsContact CD1-CE 3.47Å; I281-M686 HydrophobicContact CD1-SD 4.38Å; I281-M686 HydrophobicContact CG1-CE 4.3Å
282	V	29.7	Very low	29.5	Very low	126 Å²	126	134.6 Å²	134.6	76%	0.764	70%	0.695	S	S	*	*			trans	-81.3	115.1	176.1	176.9	0	0	0	0	108.9
283	Y	28.7	Very low	29.7	Very low	132 Å²	132	138 Å²	138	52%	0.518	70%	0.704	S	S	.	*			trans	-102.1	117.5	160.8	-75.7	-79.6	0	0	0	109.1	I281 Y682	I281-Y283 HydrophobicContact CG2-CD2 3.86Å; I281-Y283 HydrophobicContact CG2-CE2 3.48Å; I281-Y283 VanDerWaalsContact CG2-CE2 3.48Å; Y283-Y682 PolarHBondContact OH-OH 2.89Å
284	P	26.7	Very low	29.6	Very low	106 Å²	106	140.9 Å²	140.9	69%	0.688	70%	0.704	S	S	*	*			trans	-104	90.1	174.1	35.5	-26	0	0	0	110.8
285	E	30.9	Very low	29.5	Very low	160 Å²	160	144.6 Å²	144.6	75%	0.748	72%	0.716	S	S	*	*			trans	-127.6	97.9	174.9	-72.4	-163.9	135.1	0	0	113.5
286	N	27.8	Very low	29.3	Very low	157 Å²	157	142.9 Å²	142.9	84%	0.84	71%	0.712	S	S	*	*			trans	20.2	111.2	134.4	-59.7	-32.9	0	0	0	118.1
287	L	31	Very low	29.2	Very low	171 Å²	171	143.1 Å²	143.1	90%	0.895	71%	0.713	S	S	*	*			trans	-132.6	60.3	161.2	-146.3	83	0	0	0	112.8
288	N	25.7	Very low	29	Very low	156 Å²	156	145.7 Å²	145.7	83%	0.834	73%	0.732	S	S	*	*			trans	-91.7	95.5	156.8	-87.2	-15.6	0	0	0	108.3
289	F	28.4	Very low	29.2	Very low	198 Å²	198	144.6 Å²	144.6	87%	0.868	73%	0.734	S	S	*	*			trans	-165.8	135.5	151.6	-108.1	-65	0	0	0	112.8
290	I	32	Very low	29.1	Very low	152 Å²	152	152.5 Å²	152.5	78%	0.779	77%	0.765	S	S	*	*			trans	76.6	81.3	163.8	-49.8	168.9	0	0	0	115.6
291	E	26.8	Very low	29.1	Very low	164 Å²	164	157.7 Å²	157.7	77%	0.766	77%	0.768	S	S	*	*			trans	-61.3	168	144.3	-58.9	-177.3	127.8	0	0	111.8
292	N	27.9	Very low	29	Very low	137 Å²	137	166.8 Å²	166.8	73%	0.733	80%	0.799	S	S	*	*			trans	69.8	86.7	155.1	-61.6	-48.1	0	0	0	118.5
293	K	32	Very low	29	Very low	199 Å²	199	168.4 Å²	168.4	87%	0.865	80%	0.802	S	S	*	*				-151.6	123.4	123.1	-113	163.1	-171.8	176.1	0	112.8	I295	K293-I295 PolarHBondContact O-N 2.88Å
294	K	28.2	Very low	28.9	Very low	211 Å²	211	172 Å²	172	92%	0.917	81%	0.814	S	S	*	*			trans	-67.6	117.9	169.9	-65.8	167.9	177.9	172.5	0	109
295	I	30.6	Very low	28.9	Very low	155 Å²	155	172.6 Å²	172.6	80%	0.795	81%	0.812	S	S	*	*			trans	-134.8	139.2	159.7	-62.1	-174.7	0	0	0	108.8	K293	K293-I295 PolarHBondContact O-N 2.88Å
296	D	30	Very low	28.7	Very low	115 Å²	115	170.6 Å²	170.6	62%	0.615	81%	0.813	S	S	*	*			trans	-61.3	142.7	-161.2	-75.2	-82.9	0	0	0	118.8	T298	D296-T298 PolarHBondContact O-N 3.41Å; D296-T298 PolarHBondContact O-OG1 3.48Å
297	K	29	Very low	28.7	Very low	196 Å²	196	167.4 Å²	167.4	85%	0.852	80%	0.803	S	S	*	*	S	Bend		27.3	57.3	123.2	-54.2	171.2	180	161.2	0	119.4
298	T	29.5	Very low	28.7	Very low	130 Å²	130	165.3 Å²	165.3	80%	0.798	80%	0.797	S	S	*	*			trans	-142.9	2.3	159.8	0.1	0	0	0	0	116.3	D296	D296-T298 PolarHBondContact O-N 3.41Å; D296-T298 PolarHBondContact O-OG1 3.48Å
299	I	30.3	Very low	28.8	Very low	171 Å²	171	165.4 Å²	165.4	88%	0.877	80%	0.797	S	S	*	*			trans	-113	71	-179.4	-48.6	-179.1	0	0	0	110.9
300	K	27.7	Very low	28.8	Very low	196 Å²	196	160.4 Å²	160.4	85%	0.852	79%	0.787	S	S	*	*			trans	-132	79.8	161	-83.2	-168.2	174.6	-171.8	0	108.5
301	R	27.3	Very low	28.5	Very low	236 Å²	236	160.8 Å²	160.8	89%	0.891	79%	0.79	S	S	*	*			trans	166.6	92	160.8	-92.2	147.5	-171.3	165.2	0.1	110.9
302	R	27.8	Very low	28.5	Very low	235 Å²	235	157.8 Å²	157.8	89%	0.887	79%	0.787	S	S	*	*			trans	-158.2	32.1	146.7	-111.1	-176.8	-165.6	-178	6.3	111.8	R304	R302-R304 PolarHBondContact O-N 3.3Å
303	I	30	Very low	28.6	Very low	159 Å²	159	156 Å²	156	82%	0.815	79%	0.785	S	S	*	*	S	Bend	trans	-68.5	121.7	148.6	-62.3	173.4	0	0	0	103.9	N305	I303-N305 PolarHBondContact O-N 3.03Å
304	R	27.4	Very low	28.3	Very low	207 Å²	207	154.6 Å²	154.6	78%	0.781	79%	0.786	S	S	*	*			trans	-57.4	114.1	-175.1	-74.9	179.1	174.6	171	-3.3	108.9	R302 D1080	R302-R304 PolarHBondContact O-N 3.3Å; R304-D1080 IonicContact NH2-OD1 2.73Å
305	N	25.7	Very low	28.4	Very low	119 Å²	119	148.8 Å²	148.8	64%	0.636	77%	0.769	S	S	*	*			trans	-62.5	128.9	166.2	-80.2	-0.7	0	0	0	107.8	I303 S307	I303-N305 PolarHBondContact O-N 3.03Å; N305-S307 PolarHBondContact O-N 3.41Å
306	P	28	Very low	28.3	Very low	118 Å²	118	147.3 Å²	147.3	77%	0.766	76%	0.763	S	S	*	*	S	Bend	trans	-80.9	60.5	175.2	34.6	-35.3	0	0	0	110.2
307	S	28.4	Very low	28.5	Very low	90 Å²	90	144.9 Å²	144.9	63%	0.629	75%	0.749	S	S	*	*			trans	-132.2	26.7	-172	71.5	0	0	0	0	114	N305	N305-S307 PolarHBondContact O-N 3.41Å
308	T	30	Very low	28.9	Very low	128 Å²	128	139.4 Å²	139.4	79%	0.785	73%	0.73	S	S	*	*			trans	-136.7	31.7	169.9	54.6	0	0	0	0	110.8
309	L	28.6	Very low	29.4	Very low	158 Å²	158	137.2 Å²	137.2	83%	0.827	72%	0.716	S	S	*	*			trans	-96.4	78.3	170.9	-76.9	164.2	0	0	0	108.5
310	S	26.9	Very low	29.9	Very low	93 Å²	93	131.9 Å²	131.9	65%	0.65	69%	0.689	S	S	*	*			trans	-119.5	138.7	159.5	51.9	0	0	0	0	107.1
311	D	26	Very low	30.7	Very low	160 Å²	160	124.7 Å²	124.7	86%	0.856	66%	0.664	S	S	*	*	S	Bend	trans	70.9	62.8	172.2	-47.3	-29.2	0	0	0	117.7
312	S	28.1	Very low	31.6	Very low	100 Å²	100	118.3 Å²	118.3	70%	0.699	65%	0.647	S	S	*	*	S	Bend	trans	-164.9	101.8	138	56.6	0	0	0	0	111.2	L314	S312-L314 PolarHBondContact O-N 2.85Å
313	S	28.7	Very low	32.5	Very low	100 Å²	100	115.1 Å²	115.1	70%	0.699	64%	0.636	S	S	*	*			trans	5.1	103.4	163.9	55.9	0	0	0	0	118
314	L	26.6	Very low	33.4	Very low	169 Å²	169	114 Å²	114	89%	0.885	63%	0.627	S	S	*	*			trans	-77.9	110.7	153.7	-69	101.3	0	0	0	108.5	S312	S312-L314 PolarHBondContact O-N 2.85Å
315	T	29	Very low	34.3	Very low	90 Å²	90	106.8 Å²	106.8	55%	0.552	61%	0.606	S	S	*	*			trans	-143.3	122.2	173.9	49.9	0	0	0	0	111.9
316	D	30.3	Very low	35.3	Very low	124 Å²	124	110.5 Å²	110.5	66%	0.663	61%	0.611	S	S	*	*	S	Bend	trans	79.4	145.2	161.1	-56.3	-30.7	0	0	0	121.2
317	N	32.4	Very low	36.3	Very low	63 Å²	63	111.5 Å²	111.5	34%	0.337	60%	0.603	S	S	.	*			trans	97.6	12.6	155.2	-54	-43.3	0	0	0	122.8	E250 V319	E250-N317 PolarHBondContact OE1-ND2 3.34Å; N317-V319 PolarHBondContact O-N 3.39Å
318	N	38.4	Very low	38	Very low	81 Å²	81	108.6 Å²	108.6	43%	0.433	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.3	4.5	170.7	-96.3	-26.7	0	0	0	115.7	F257 A371	F257-N318 WeakPolarHBondContact CE1-OD1 3.42Å; F257-N318 WeakPolarHBondContact CZ-OD1 3.24Å; N318-A371 HydrophobicContact CB-CB 3.76Å
319	V	40.6	Very low	40	Very low	84 Å²	84	105.1 Å²	105.1	51%	0.509	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.3	-9.7	-177.6	-171.7	0	0	0	0	112.7	N317 S321 L322 Y323	N317-V319 PolarHBondContact O-N 3.39Å; V319-S321 PolarHBondContact O-N 3.01Å; V319-L322 PolarHBondContact O-N 2.99Å; V319-L322 VanDerWaalsContact O-N 3.12Å; V319-Y323 HydrophobicContact CG1-CD2 4.48Å; V319-Y323 HydrophobicContact CG1-CE2 4.47Å
320	D	40.5	Very low	42.4	Very low	59 Å²	59	100.8 Å²	100.8	32%	0.316	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-15.8	-174.4	-89.2	-16.7	0	0	0	115.1	R254 Y323	R254-D320 IonicContact CZ-OD2 3Å; R254-D320 VanDerWaalsContact CZ-OD2 3.27Å; R254-D320 IonicContact NE-OD2 2.92Å; R254-D320 PolarHBondContact NE-OD2 3.05Å; R254-D320 VanDerWaalsContact NE-OD2 3.12Å; R254-D320 IonicContact NH2-OD1 3.13Å; R254-D320 IonicContact NH2-OD2 2.72Å; R254-D320 PolarHBondContact NH2-OD2 3.41Å; D320-Y323 PolarHBondContact O-N 3.48Å
321	S	43.6	Very low	44.9	Very low	46 Å²	46	99.3 Å²	99.3	32%	0.322	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-25.9	174.9	61.6	0	0	0	0	113.7	V319 Y323	V319-S321 PolarHBondContact O-N 3.01Å; S321-Y323 VanDerWaalsContact C-N 3.29Å
322	L	47	Very low	47.7	Very low	101 Å²	101	93 Å²	93	53%	0.529	49%	0.488	S	S	.	.	S	Bend	trans	-83	-7.7	175.9	-67.2	171.7	0	0	0	112.6	V319 Y348	V319-L322 PolarHBondContact O-N 2.99Å; V319-L322 VanDerWaalsContact O-N 3.12Å; L322-Y348 HydrophobicContact CD2-CE1 4.08Å; L322-Y348 HydrophobicContact CD2-CE2 4.45Å
323	Y	46.2	Very low	50.3	Low	169 Å²	169	89.9 Å²	89.9	66%	0.663	47%	0.472	S	S	*	.	S	Bend	trans	-99.7	124.5	179.5	-92.3	-87	0	0	0	112.7	V319 D320 S321 T325	V319-Y323 HydrophobicContact CG1-CD2 4.48Å; V319-Y323 HydrophobicContact CG1-CE2 4.47Å; D320-Y323 PolarHBondContact O-N 3.48Å; S321-Y323 VanDerWaalsContact C-N 3.29Å; Y323-T325 PolarHBondContact O-N 2.9Å
324	Q	48.5	Very low	52.9	Low	134 Å²	134	87.3 Å²	87.3	63%	0.626	45%	0.449	S	S	*	.			trans	-72.9	109.4	177.6	-174.2	178	8.6	0	0	111.4
325	T	46.5	Very low	55.4	Low	56 Å²	56	83.2 Å²	83.2	34%	0.344	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-82.7	155.1	173.8	89.9	0	0	0	0	111.9	Y323 K327 S328	Y323-T325 PolarHBondContact O-N 2.9Å; T325-K327 PolarHBondContact O-N 3.13Å; T325-K327 PolarHBondContact OG1-N 2.95Å; T325-K327 VanDerWaalsContact OG1-N 3.16Å; T325-S328 PolarHBondContact N-O 3.49Å; T325-S328 CarbonylContact O-C 3.55Å; T325-S328 PolarHBondContact O-N 3.48Å; T325-S328 VanDerWaalsContact O-O 3.05Å; T325-S328 PolarHBondContact OG1-N 3.32Å; T325-S328 PolarHBondContact OG1-OG 3.31Å
326	R	46.1	Very low	57.9	Low	197 Å²	197	82.6 Å²	82.6	74%	0.743	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-15	173	-69.1	-169.5	-171.4	150.9	14.7	114.2	D240	D240-R326 IonicContact OD1-CZ 3.42Å; D240-R326 IonicContact OD1-NH1 3.7Å; D240-R326 PolarHBondContact OD1-NH1 3.3Å; D240-R326 IonicContact OD1-NH2 3.7Å; D240-R326 PolarHBondContact OD1-NH2 3.41Å; D240-R326 IonicContact OD2-CZ 3.48Å; D240-R326 IonicContact OD2-NE 3.29Å; D240-R326 IonicContact OD2-NH1 2.92Å; D240-R326 PolarHBondContact OD2-NH1 2.97Å; D240-R326 IonicContact OD2-NH2 2.69Å; D240-R326 PolarHBondContact OD2-NH2 3.21Å
327	K	50.7	Low	60.4	Low	139 Å²	139	76.7 Å²	76.7	60%	0.604	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-8.9	177	-65.6	-178.1	-179.5	177.1	0	113.3	T325 S354	T325-K327 PolarHBondContact O-N 3.13Å; T325-K327 PolarHBondContact OG1-N 2.95Å; T325-K327 VanDerWaalsContact OG1-N 3.16Å; K327-S354 WeakPolarHBondContact O-CA 3.29Å; K327-S354 PolarHBondContact O-OG 3.04Å
328	S	63.4	Low	62.7	Low	30 Å²	30	74.5 Å²	74.5	21%	0.21	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	102.3	-171.3	64	0	0	0	0	111.6	T325 S353	T325-S328 PolarHBondContact N-O 3.49Å; T325-S328 CarbonylContact O-C 3.55Å; T325-S328 PolarHBondContact O-N 3.48Å; T325-S328 VanDerWaalsContact O-O 3.05Å; T325-S328 PolarHBondContact OG1-N 3.32Å; T325-S328 PolarHBondContact OG1-OG 3.31Å; S328-S353 CarbonylContact C-O 3.44Å; S328-S353 VanDerWaalsContact CA-O 3.3Å; S328-S353 WeakPolarHBondContact CA-O 3.41Å
329	T	72.1	Confident	64.6	Low	55 Å²	55	71 Å²	71	34%	0.337	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	120.9	178.4	57.1	0	0	0	0	110.8	L331 S353	T329-L331 PolarHBondContact O-N 2.95Å; T329-S353 PolarHBondContact N-O 2.8Å; T329-S353 PolarHBondContact O-N 3.39Å; T329-S353 PolarHBondContact OG1-O 3.11Å
330	L	78.5	Confident	66.2	Low	67 Å²	67	67.5 Å²	67.5	35%	0.351	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	123.8	169.3	-175.3	68.8	0	0	0	109.4	Y332 E350 I352	L330-Y332 VanDerWaalsContact CD1-O 3.31Å; L330-Y332 WeakPolarHBondContact CD1-O 3.46Å; L330-E350 HydrophobicContact CD1-CB 3.76Å; L330-I352 HydrophobicContact CD1-CG1 4.14Å
331	L	79.7	Confident	67.2	Low	62 Å²	62	70 Å²	70	33%	0.325	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-33.5	178.5	-65	-177	0	0	0	112.7	T329 L351 L358	T329-L331 PolarHBondContact O-N 2.95Å; L331-L351 HydrophobicContact CB-CD2 4.06Å; L331-L351 HydrophobicContact CB-CG 4.25Å; L331-L351 HydrophobicContact CD1-CD2 4.29Å; L331-L351 PolarHBondContact N-O 3.33Å; L331-L358 HydrophobicContact CD1-CD1 3.78Å
332	Y	85	Confident	67.9	Low	26 Å²	26	74.1 Å²	74.1	10%	0.102	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	139.6	177.1	-174.9	-88.4	0	0	0	108.8	L330 K334 F349 E350 L351 A478 N481 F482 C485	L330-Y332 VanDerWaalsContact CD1-O 3.31Å; L330-Y332 WeakPolarHBondContact CD1-O 3.46Å; Y332-K334 HydrophobicContact CD1-CB 4.43Å; Y332-K334 HydrophobicContact CE1-CB 3.64Å; Y332-K334 HydrophobicContact CE1-CD 4.32Å; Y332-K334 WeakPolarHBondContact OH-CD 3.49Å; Y332-F349 HydrophobicContact CD1-CD1 4.39Å; Y332-F349 HydrophobicContact CE1-CD1 4.16Å; Y332-E350 CarbonylContact O-C 3.53Å; Y332-E350 WeakPolarHBondContact O-CA 3.45Å; Y332-L351 PolarHBondContact N-O 2.84Å; Y332-L351 PolarHBondContact O-N 2.91Å; Y332-A478 PolarHBondContact OH-O 2.87Å; Y332-N481 HydrophobicContact CE2-CB 4.19Å; Y332-F482 AromaticContact CD1-CD2 3.95Å; Y332-F482 HydrophobicContact CD1-CD2 3.95Å; Y332-F482 HydrophobicContact CD2-CB 4.3Å; Y332-F482 HydrophobicContact CE1-CB 4.24Å; Y332-F482 HydrophobicContact CE1-CD2 4.09Å; Y332-F482 HydrophobicContact CE2-CB 3.79Å; Y332-F482 HydrophobicContact CG-CD2 4.19Å; Y332-C485 HydrophobicContact CD2-CB 4.25Å
333	G	82.5	Confident	68.4	Low	36 Å²	36	77.2 Å²	77.2	37%	0.371	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	133.4	176.1	0	0	0	0	0	110.1	F349	G333-F349 CarbonylContact C-O 3.55Å; G333-F349 WeakPolarHBondContact CA-O 3.29Å
334	K	82.4	Confident	68.9	Low	46 Å²	46	76.5 Å²	76.5	20%	0.2	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	127.3	-177.5	-176.3	157.7	-179.5	146.9	0	112.6	Y332 V337 F349 L472 H473	Y332-K334 HydrophobicContact CD1-CB 4.43Å; Y332-K334 HydrophobicContact CE1-CB 3.64Å; Y332-K334 HydrophobicContact CE1-CD 4.32Å; Y332-K334 WeakPolarHBondContact OH-CD 3.49Å; K334-V337 HydrophobicContact CB-CG2 4.13Å; K334-V337 HydrophobicContact CD-CG2 4.34Å; K334-V337 HydrophobicContact CG-CG2 3.85Å; K334-F349 PolarHBondContact N-O 2.88Å; K334-F349 PolarHBondContact O-N 2.91Å; K334-L472 HydrophobicContact CD-CD2 4.43Å; K334-H473 WeakPolarHBondContact CE-O 3.37Å; K334-H473 PolarHBondContact NZ-O 3.47Å
335	N	81.1	Confident	69.7	Low	83 Å²	83	71.7 Å²	71.7	44%	0.444	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	162.6	174	-158.1	-0.4	0	0	0	112	V337 Y348 N365	N335-V337 PolarHBondContact O-N 3.35Å; N335-Y348 HydrophobicContact CB-CD2 4.07Å; N335-N365 PolarHBondContact OD1-OD1 3.3Å
336	N	80.3	Confident	71.2	Confident	76 Å²	76	72.1 Å²	72.1	41%	0.406	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.9	42.4	177	-57.3	-24.7	0	0	0	113.4	L346 G347 N365 H473	N336-L346 HydrophobicContact CB-CD2 4.23Å; N336-G347 PolarHBondContact N-O 2.81Å; N336-G347 VanDerWaalsContact N-O 3.14Å; N336-N365 PolarHBondContact OD1-ND2 3.06Å; N336-H473 PolarHBondContact O-ND1 3.49Å
337	V	82.3	Confident	72.9	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	132.9	170.1	175.2	0	0	0	0	108.6	K334 N335 G347 F349 W362 I470 L472	K334-V337 HydrophobicContact CB-CG2 4.13Å; K334-V337 HydrophobicContact CD-CG2 4.34Å; K334-V337 HydrophobicContact CG-CG2 3.85Å; N335-V337 PolarHBondContact O-N 3.35Å; V337-G347 PolarHBondContact N-O 3.35Å; V337-G347 PolarHBondContact O-N 3.06Å; V337-F349 HydrophobicContact CB-CB 3.78Å; V337-F349 HydrophobicContact CB-CG 4.47Å; V337-F349 HydrophobicContact CG1-CB 3.98Å; V337-F349 HydrophobicContact CG1-CG 4.15Å; V337-F349 HydrophobicContact CG2-CB 3.58Å; V337-F349 HydrophobicContact CG2-CD1 4.42Å; V337-F349 HydrophobicContact CG2-CG 4.29Å; V337-W362 PolarHBondContact O-NE1 2.98Å; V337-I470 HydrophobicContact CG1-CG2 3.55Å; V337-L472 HydrophobicContact CB-CD2 4.3Å; V337-L472 HydrophobicContact CG1-CD2 3.77Å; V337-L472 HydrophobicContact CG2-CD2 3.53Å
338	M	82.1	Confident	74.4	Confident	18 Å²	18	58 Å²	58	9%	0.089	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	146	174.9	-69.9	170.6	55.9	0	0	111.2	Q343 S345 L346 R471 H473	M338-Q343 HydrophobicContact CE-CG 4.42Å; M338-S345 WeakPolarHBondContact CA-O 3.38Å; M338-L346 HydrophobicContact CG-CD2 3.56Å; M338-L346 HydrophobicContact CG-CG 4.48Å; M338-R471 HydrophobicContact CB-CB 4.21Å; M338-R471 PolarHBondContact N-O 3.14Å; M338-R471 PolarHBondContact O-N 3.37Å; M338-H473 VanDerWaalsContact SD-CE1 3.57Å
339	L	77.3	Confident	75.5	Confident	6 Å²	6	56.7 Å²	56.7	3%	0.031	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	117.2	175.1	-170	69	0	0	0	109.7	S345 W362 F430 L435 P468 I470	L339-S345 PolarHBondContact O-OG 2.9Å; L339-W362 HydrophobicContact CB-CD2 4.06Å; L339-W362 HydrophobicContact CB-CE3 4.42Å; L339-W362 HydrophobicContact CB-CH2 4.38Å; L339-W362 HydrophobicContact CB-CZ2 3.99Å; L339-W362 HydrophobicContact CD2-CD2 3.97Å; L339-W362 HydrophobicContact CD2-CE3 3.74Å; L339-W362 HydrophobicContact CD2-CG 4.41Å; L339-W362 HydrophobicContact CD2-CZ3 4.17Å; L339-F430 HydrophobicContact CD2-CE1 3.92Å; L339-F430 HydrophobicContact CG-CE1 4.27Å; L339-L435 HydrophobicContact CD1-CD2 3.82Å; L339-L435 HydrophobicContact CD2-CB 3.95Å; L339-L435 HydrophobicContact CD2-CD2 4.02Å; L339-P468 HydrophobicContact CD1-CB 3.94Å; L339-P468 HydrophobicContact CG-CB 4.09Å; L339-I470 HydrophobicContact CD1-CG1 3.74Å
340	G	74	Confident	76.1	Confident	12 Å²	12	54.2 Å²	54.2	12%	0.124	29%	0.29	C	S	.	.	S	Bend	trans	93.6	-169.3	-173.7	0	0	0	0	0	114.2	P469 R471	G340-P469 PolarHBondContact N-O 2.84Å; G340-R471 PolarHBondContact O-NE 3.5Å
341	D	62.5	Low	76.5	Confident	111 Å²	111	51 Å²	51	59%	0.594	27%	0.274	S	S	*	.	S	Bend	trans	-97.6	-12.7	179	-68	-34.4	0	0	0	113.3	R471	D341-R471 IonicContact OD1-CZ 3.73Å; D341-R471 IonicContact OD1-NH2 2.91Å; D341-R471 PolarHBondContact OD1-NH2 3.25Å
342	D	58.7	Low	76.6	Confident	133 Å²	133	49 Å²	49	71%	0.711	26%	0.263	S	S	*	.			trans	-79.8	124.1	179.5	-69.1	-30	0	0	0	110.8	N344	D342-N344 PolarHBondContact O-N 2.91Å
343	Q	56	Low	76.3	Confident	165 Å²	165	49.4 Å²	49.4	77%	0.771	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-4.1	-173.7	-67.2	-167.8	-7.2	0	0	115.5	M338	M338-Q343 HydrophobicContact CE-CG 4.42Å
344	N	57.4	Low	75.7	Confident	154 Å²	154	49.9 Å²	49.9	82%	0.824	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	4.3	-167.1	-70.3	7.7	0	0	0	114.9	D342	D342-N344 PolarHBondContact O-N 2.91Å
345	S	65.1	Low	75	Confident	34 Å²	34	53 Å²	53	24%	0.238	29%	0.29	C	S	.	.			trans	-121.4	95.3	179	71.6	0	0	0	0	112.6	M338 L339	M338-S345 WeakPolarHBondContact CA-O 3.38Å; L339-S345 PolarHBondContact O-OG 2.9Å
346	L	78.2	Confident	74.4	Confident	65 Å²	65	55.4 Å²	55.4	34%	0.34	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	140.1	170.5	-71.1	170	0	0	0	109.6	N336 M338 N365	N336-L346 HydrophobicContact CB-CD2 4.23Å; M338-L346 HydrophobicContact CG-CD2 3.56Å; M338-L346 HydrophobicContact CG-CG 4.48Å; L346-N365 WeakPolarHBondContact O-CB 3.31Å; L346-N365 PolarHBondContact O-N 3.46Å
347	G	81	Confident	74.1	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	170.3	179.6	0	0	0	0	0	114.6	N336 V337 T363 N365	N336-G347 PolarHBondContact N-O 2.81Å; N336-G347 VanDerWaalsContact N-O 3.14Å; V337-G347 PolarHBondContact N-O 3.35Å; V337-G347 PolarHBondContact O-N 3.06Å; G347-T363 CarbonylContact C-O 3.55Å; G347-T363 WeakPolarHBondContact CA-O 3.34Å; G347-N365 VanDerWaalsContact CA-OD1 3.29Å; G347-N365 WeakPolarHBondContact CA-OD1 3.46Å
348	Y	83.2	Confident	74.1	Confident	40 Å²	40	54.6 Å²	54.6	16%	0.157	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	128.4	169.6	-170.6	-101.2	0	0	0	110.3	L322 N335 E350 W362 T363	L322-Y348 HydrophobicContact CD2-CE1 4.08Å; L322-Y348 HydrophobicContact CD2-CE2 4.45Å; N335-Y348 HydrophobicContact CB-CD2 4.07Å; Y348-E350 HydrophobicContact CD1-CB 4.36Å; Y348-E350 HydrophobicContact CE1-CB 3.93Å; Y348-W362 CarbonylContact O-C 3.42Å; Y348-W362 VanDerWaalsContact O-CA 3.26Å; Y348-W362 WeakPolarHBondContact O-CA 3.47Å; Y348-T363 PolarHBondContact N-O 2.89Å; Y348-T363 PolarHBondContact O-N 3.43Å
349	F	86.2	Confident	74.2	Confident	1 Å²	1	55.4 Å²	55.4	0%	0.004	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127	-177.5	-178.1	-117.4	0	0	0	110.1	Y332 G333 K334 V337 L360 K361 W362 I470 L472 F482	Y332-F349 HydrophobicContact CD1-CD1 4.39Å; Y332-F349 HydrophobicContact CE1-CD1 4.16Å; G333-F349 CarbonylContact C-O 3.55Å; G333-F349 WeakPolarHBondContact CA-O 3.29Å; K334-F349 PolarHBondContact N-O 2.88Å; K334-F349 PolarHBondContact O-N 2.91Å; V337-F349 HydrophobicContact CB-CB 3.78Å; V337-F349 HydrophobicContact CB-CG 4.47Å; V337-F349 HydrophobicContact CG1-CB 3.98Å; V337-F349 HydrophobicContact CG1-CG 4.15Å; V337-F349 HydrophobicContact CG2-CB 3.58Å; V337-F349 HydrophobicContact CG2-CD1 4.42Å; V337-F349 HydrophobicContact CG2-CG 4.29Å; F349-L360 HydrophobicContact CE1-CD1 4.22Å; F349-L360 HydrophobicContact CE2-CD1 3.83Å; F349-L360 HydrophobicContact CE2-CD2 3.71Å; F349-L360 HydrophobicContact CE2-CG 3.7Å; F349-L360 HydrophobicContact CZ-CD1 3.56Å; F349-L360 HydrophobicContact CZ-CD2 3.78Å; F349-L360 HydrophobicContact CZ-CG 3.9Å; F349-K361 WeakPolarHBondContact CA-O 3.23Å; F349-K361 VanDerWaalsContact CD2-O 3.32Å; F349-K361 WeakPolarHBondContact CD2-O 3.41Å; F349-W362 HydrophobicContact CD2-CB 4.14Å; F349-I470 HydrophobicContact CD2-CG2 4.45Å; F349-I470 HydrophobicContact CE1-CG2 4.39Å; F349-I470 HydrophobicContact CE2-CD1 3.84Å; F349-I470 HydrophobicContact CE2-CG1 4.48Å; F349-I470 HydrophobicContact CE2-CG2 4.03Å; F349-I470 HydrophobicContact CZ-CD1 4Å; F349-I470 HydrophobicContact CZ-CG2 3.97Å; F349-L472 HydrophobicContact CD1-CD2 3.98Å; F349-L472 HydrophobicContact CE1-CD2 4.15Å; F349-F482 AromaticContact CE1-CD2 3.8Å; F349-F482 HydrophobicContact CE1-CD2 3.8Å; F349-F482 AromaticContact CE1-CE2 3.56Å; F349-F482 HydrophobicContact CE1-CE2 3.56Å; F349-F482 HydrophobicContact CE1-CZ 4.12Å; F349-F482 AromaticContact CZ-CE2 3.86Å; F349-F482 HydrophobicContact CZ-CE2 3.86Å; F349-F482 HydrophobicContact CZ-CZ 4.05Å
350	E	85.4	Confident	74.5	Confident	3 Å²	3	55.3 Å²	55.3	1%	0.014	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.6	-174.1	62.6	-176.6	-162.1	0	0	112.9	L330 Y332 Y348 I352 L360 K361	L330-E350 HydrophobicContact CD1-CB 3.76Å; Y332-E350 CarbonylContact O-C 3.53Å; Y332-E350 WeakPolarHBondContact O-CA 3.45Å; Y348-E350 HydrophobicContact CD1-CB 4.36Å; Y348-E350 HydrophobicContact CE1-CB 3.93Å; E350-I352 HydrophobicContact CG-CD1 4.15Å; E350-I352 HydrophobicContact CG-CG1 4.32Å; E350-I352 WeakPolarHBondContact OE1-CD1 3.39Å; E350-L360 WeakPolarHBondContact O-CA 3.19Å; E350-K361 HydrophobicContact CG-CB 3.68Å; E350-K361 HydrophobicContact CG-CD 4.18Å; E350-K361 PolarHBondContact N-O 3.35Å; E350-K361 PolarHBondContact O-N 3.45Å; E350-K361 WeakPolarHBondContact OE1-CD 3.25Å; E350-K361 IonicContact OE1-NZ 2.66Å; E350-K361 PolarHBondContact OE1-NZ 3.15Å
351	L	85.2	Confident	74.9	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.8	170.9	-178.1	70.2	0	0	0	108.1	L331 Y332 L358 L360 C485 L486	L331-L351 HydrophobicContact CB-CD2 4.06Å; L331-L351 HydrophobicContact CB-CG 4.25Å; L331-L351 HydrophobicContact CD1-CD2 4.29Å; L331-L351 PolarHBondContact N-O 3.33Å; Y332-L351 PolarHBondContact N-O 2.84Å; Y332-L351 PolarHBondContact O-N 2.91Å; L351-L358 HydrophobicContact CD1-CD1 3.79Å; L351-L358 HydrophobicContact CD1-CD2 4.27Å; L351-L358 HydrophobicContact CD1-CG 3.9Å; L351-L358 HydrophobicContact CD2-CD1 4.44Å; L351-L358 HydrophobicContact CG-CD1 3.98Å; L351-L360 HydrophobicContact CB-CD1 4.19Å; L351-L360 HydrophobicContact CD1-CD1 3.75Å; L351-C485 HydrophobicContact CD2-CB 4.24Å; L351-L486 HydrophobicContact CD1-CD1 3.97Å; L351-L486 HydrophobicContact CD2-CB 4.47Å; L351-L486 HydrophobicContact CD2-CD1 4.21Å
352	I	82.6	Confident	76	Confident	19 Å²	19	51.9 Å²	51.9	10%	0.097	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.6	-174.4	-61.9	179.2	0	0	0	109.1	L330 E350 L359 K361	L330-I352 HydrophobicContact CD1-CG1 4.14Å; E350-I352 HydrophobicContact CG-CD1 4.15Å; E350-I352 HydrophobicContact CG-CG1 4.32Å; E350-I352 WeakPolarHBondContact OE1-CD1 3.39Å; I352-L359 PolarHBondContact N-O 3.22Å; I352-L359 PolarHBondContact O-N 2.91Å; I352-K361 HydrophobicContact CD1-CD 4.26Å
353	S	78.3	Confident	77	Confident	35 Å²	35	46.6 Å²	46.6	25%	0.245	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.7	166.6	173.8	0	0	0	0	110.1	S328 T329	S328-S353 CarbonylContact C-O 3.44Å; S328-S353 VanDerWaalsContact CA-O 3.3Å; S328-S353 WeakPolarHBondContact CA-O 3.41Å; T329-S353 PolarHBondContact N-O 2.8Å; T329-S353 PolarHBondContact O-N 3.39Å; T329-S353 PolarHBondContact OG1-O 3.11Å
354	S	70.9	Confident	78.1	Confident	47 Å²	47	39.2 Å²	39.2	33%	0.329	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	162.8	171.6	-169.1	0	0	0	0	110.3	K327 N356 D357	K327-S354 WeakPolarHBondContact O-CA 3.29Å; K327-S354 PolarHBondContact O-OG 3.04Å; S354-N356 PolarHBondContact O-N 2.53Å; S354-D357 PolarHBondContact N-O 3.18Å; S354-D357 PolarHBondContact O-N 2.93Å; S354-D357 VanDerWaalsContact O-O 3.1Å
355	T	67.5	Low	79	Confident	111 Å²	111	33.3 Å²	33.3	68%	0.681	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-43.1	-28.6	-170.9	53.9	0	0	0	0	117.1
356	N	67.6	Low	79.3	Confident	134 Å²	134	36.1 Å²	36.1	72%	0.717	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-132	-0.4	178.6	-80.6	-13.5	0	0	0	114.1	S354 K440	S354-N356 PolarHBondContact O-N 2.53Å; N356-K440 WeakPolarHBondContact O-CE 3.4Å; N356-K440 PolarHBondContact O-NZ 3.2Å
357	D	74.7	Confident	78.8	Confident	50 Å²	50	36 Å²	36	27%	0.267	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	153.5	-171.5	-161.6	19.7	0	0	0	113.4	S354 S438 K440	S354-D357 PolarHBondContact N-O 3.18Å; S354-D357 PolarHBondContact O-N 2.93Å; S354-D357 VanDerWaalsContact O-O 3.1Å; D357-S438 VanDerWaalsContact CG-OG 3.29Å; D357-S438 PolarHBondContact OD1-OG 3.24Å; D357-S438 WeakPolarHBondContact OD2-CB 3.27Å; D357-S438 PolarHBondContact OD2-OG 2.83Å; D357-K440 WeakPolarHBondContact OD1-CD 3.42Å; D357-K440 WeakPolarHBondContact OD1-CE 3.44Å; D357-K440 VanDerWaalsContact OD1-CG 3.29Å; D357-K440 WeakPolarHBondContact OD1-CG 3.44Å
358	L	82.4	Confident	78.1	Confident	9 Å²	9	38.5 Å²	38.5	5%	0.047	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	115.7	178.3	-178.9	68.1	0	0	0	109.2	L331 L351 M439 L486 L490	L331-L358 HydrophobicContact CD1-CD1 3.78Å; L351-L358 HydrophobicContact CD1-CD1 3.79Å; L351-L358 HydrophobicContact CD1-CD2 4.27Å; L351-L358 HydrophobicContact CD1-CG 3.9Å; L351-L358 HydrophobicContact CD2-CD1 4.44Å; L351-L358 HydrophobicContact CG-CD1 3.98Å; L358-M439 HydrophobicContact CB-CB 4.13Å; L358-M439 HydrophobicContact CB-CG 4.33Å; L358-M439 HydrophobicContact CD2-CB 4.19Å; L358-M439 HydrophobicContact CD2-CG 3.9Å; L358-M439 HydrophobicContact CG-CB 4.3Å; L358-M439 HydrophobicContact CG-CG 3.97Å; L358-M439 WeakPolarHBondContact O-CB 3.43Å; L358-M439 PolarHBondContact O-N 2.66Å; L358-L486 HydrophobicContact CD2-CD1 4.07Å; L358-L490 HydrophobicContact CD2-CD2 3.87Å; L358-L490 HydrophobicContact CD2-CG 3.91Å
359	L	82.8	Confident	77.2	Confident	35 Å²	35	40.7 Å²	40.7	18%	0.183	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.4	-171.4	-168.1	77.2	0	0	0	110.9	I352 K361	I352-L359 PolarHBondContact N-O 3.22Å; I352-L359 PolarHBondContact O-N 2.91Å; L359-K361 HydrophobicContact CD2-CD 4.18Å; L359-K361 HydrophobicContact CD2-CG 4.11Å; L359-K361 HydrophobicContact CG-CG 4.4Å
360	L	85.1	Confident	75.9	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	138.9	171.2	-164.4	75.9	0	0	0	109.4	F349 E350 L351 S436 V437 L459 I470 F482	F349-L360 HydrophobicContact CE1-CD1 4.22Å; F349-L360 HydrophobicContact CE2-CD1 3.83Å; F349-L360 HydrophobicContact CE2-CD2 3.71Å; F349-L360 HydrophobicContact CE2-CG 3.7Å; F349-L360 HydrophobicContact CZ-CD1 3.56Å; F349-L360 HydrophobicContact CZ-CD2 3.78Å; F349-L360 HydrophobicContact CZ-CG 3.9Å; E350-L360 WeakPolarHBondContact O-CA 3.19Å; L351-L360 HydrophobicContact CB-CD1 4.19Å; L351-L360 HydrophobicContact CD1-CD1 3.75Å; L360-S436 CarbonylContact O-C 3.15Å; L360-S436 WeakPolarHBondContact O-CA 3.33Å; L360-V437 HydrophobicContact CB-CB 4.43Å; L360-V437 PolarHBondContact N-O 3.21Å; L360-V437 PolarHBondContact O-N 3.43Å; L360-L459 HydrophobicContact CD2-CD1 3.4Å; L360-I470 HydrophobicContact CD2-CD1 4.25Å; L360-F482 HydrophobicContact CD1-CE2 3.79Å; L360-F482 HydrophobicContact CD1-CZ 4.05Å
361	K	82.8	Confident	74.1	Confident	44 Å²	44	49.5 Å²	49.5	19%	0.191	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	156	174.7	-69.8	165.1	167.3	-175.6	0	112.3	F349 E350 I352 L359 L435 S436	F349-K361 WeakPolarHBondContact CA-O 3.23Å; F349-K361 VanDerWaalsContact CD2-O 3.32Å; F349-K361 WeakPolarHBondContact CD2-O 3.41Å; E350-K361 HydrophobicContact CG-CB 3.68Å; E350-K361 HydrophobicContact CG-CD 4.18Å; E350-K361 PolarHBondContact N-O 3.35Å; E350-K361 PolarHBondContact O-N 3.45Å; E350-K361 WeakPolarHBondContact OE1-CD 3.25Å; E350-K361 IonicContact OE1-NZ 2.66Å; E350-K361 PolarHBondContact OE1-NZ 3.15Å; I352-K361 HydrophobicContact CD1-CD 4.26Å; L359-K361 HydrophobicContact CD2-CD 4.18Å; L359-K361 HydrophobicContact CD2-CG 4.11Å; L359-K361 HydrophobicContact CG-CG 4.4Å; K361-L435 CarbonylContact C-O 3.6Å; K361-L435 WeakPolarHBondContact CA-O 3.25Å; K361-S436 WeakPolarHBondContact CG-OG 3.44Å
362	W	84.8	Confident	72.2	Confident	7 Å²	7	53.4 Å²	53.4	3%	0.027	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	138.3	168.9	179.7	96.2	0	0	0	109.2	V337 L339 Y348 F349 G433 I434 L435	V337-W362 PolarHBondContact O-NE1 2.98Å; L339-W362 HydrophobicContact CB-CD2 4.06Å; L339-W362 HydrophobicContact CB-CE3 4.42Å; L339-W362 HydrophobicContact CB-CH2 4.38Å; L339-W362 HydrophobicContact CB-CZ2 3.99Å; L339-W362 HydrophobicContact CD2-CD2 3.97Å; L339-W362 HydrophobicContact CD2-CE3 3.74Å; L339-W362 HydrophobicContact CD2-CG 4.41Å; L339-W362 HydrophobicContact CD2-CZ3 4.17Å; Y348-W362 CarbonylContact O-C 3.42Å; Y348-W362 VanDerWaalsContact O-CA 3.26Å; Y348-W362 WeakPolarHBondContact O-CA 3.47Å; F349-W362 HydrophobicContact CD2-CB 4.14Å; W362-G433 VanDerWaalsContact CZ3-O 3.27Å; W362-G433 WeakPolarHBondContact CZ3-O 3.19Å; W362-I434 CarbonylContact O-C 3.47Å; W362-I434 VanDerWaalsContact O-CA 3.3Å; W362-I434 WeakPolarHBondContact O-CA 3.22Å; W362-L435 HydrophobicContact CB-CB 4.11Å; W362-L435 PolarHBondContact N-O 2.92Å; W362-L435 PolarHBondContact O-N 2.96Å
363	T	78.8	Confident	70.3	Confident	23 Å²	23	61.7 Å²	61.7	14%	0.141	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	126.9	-178.3	-56.9	0	0	0	0	109.8	G347 Y348 L367 L368 I434	G347-T363 CarbonylContact C-O 3.55Å; G347-T363 WeakPolarHBondContact CA-O 3.34Å; Y348-T363 PolarHBondContact N-O 2.89Å; Y348-T363 PolarHBondContact O-N 3.43Å; T363-L367 HydrophobicContact CG2-CB 4.39Å; T363-L368 HydrophobicContact CG2-CD1 4.45Å; T363-L368 HydrophobicContact CG2-CD2 4.19Å; T363-L368 HydrophobicContact CG2-CG 4.03Å; T363-I434 HydrophobicContact CG2-CG1 4.28Å
364	S	79.3	Confident	68.3	Low	10 Å²	10	63.5 Å²	63.5	7%	0.07	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	142	179.4	-176.3	0	0	0	0	112.9	D366 L367 L368 G433	S364-D366 PolarHBondContact O-N 2.89Å; S364-D366 PolarHBondContact OG-N 2.88Å; S364-L367 PolarHBondContact O-N 2.94Å; S364-L368 PolarHBondContact O-N 3.08Å; S364-G433 PolarHBondContact N-O 3.24Å
365	N	77.3	Confident	66.2	Low	29 Å²	29	68.1 Å²	68.1	16%	0.155	38%	0.378	C	S	.	.	H	α-helix	trans	-61	-32.2	173.5	-74.7	-3.3	0	0	0	111.8	N335 N336 L346 G347 L367 L368 L369	N335-N365 PolarHBondContact OD1-OD1 3.3Å; N336-N365 PolarHBondContact OD1-ND2 3.06Å; L346-N365 WeakPolarHBondContact O-CB 3.31Å; L346-N365 PolarHBondContact O-N 3.46Å; G347-N365 VanDerWaalsContact CA-OD1 3.29Å; G347-N365 WeakPolarHBondContact CA-OD1 3.46Å; N365-L367 VanDerWaalsContact C-N 3.31Å; N365-L367 PolarHBondContact O-N 3.05Å; N365-L368 PolarHBondContact O-N 3.05Å; N365-L369 WeakPolarHBondContact O-CB 3.39Å; N365-L369 VanDerWaalsContact O-CG 3.27Å; N365-L369 WeakPolarHBondContact O-CG 3.32Å; N365-L369 PolarHBondContact O-N 2.93Å
366	D	70.3	Confident	64.3	Low	94 Å²	94	68.7 Å²	68.7	50%	0.503	38%	0.381	S	S	.	.	H	α-helix	trans	-64.2	-37.5	177.5	-57.2	-43.2	0	0	0	111.8	S364 L369 Q370	S364-D366 PolarHBondContact O-N 2.89Å; S364-D366 PolarHBondContact OG-N 2.88Å; D366-L369 PolarHBondContact O-N 2.98Å; D366-Q370 WeakPolarHBondContact O-CB 3.42Å; D366-Q370 VanDerWaalsContact O-CG 3.27Å; D366-Q370 WeakPolarHBondContact O-CG 3.34Å; D366-Q370 PolarHBondContact O-N 3.08Å
367	L	68.1	Low	62.4	Low	63 Å²	63	73.1 Å²	73.1	33%	0.33	39%	0.389	S	S	.	.	H	α-helix	trans	-70.1	-38.8	175.4	-74.1	163.7	0	0	0	111.5	T363 S364 N365 L369 A371 L432 I434	T363-L367 HydrophobicContact CG2-CB 4.39Å; S364-L367 PolarHBondContact O-N 2.94Å; N365-L367 VanDerWaalsContact C-N 3.31Å; N365-L367 PolarHBondContact O-N 3.05Å; L367-L369 VanDerWaalsContact C-N 3.35Å; L367-A371 WeakPolarHBondContact O-CB 3.43Å; L367-A371 PolarHBondContact O-N 3.5Å; L367-A371 VanDerWaalsContact O-N 3.09Å; L367-L432 VanDerWaalsContact CD1-O 3.29Å; L367-L432 WeakPolarHBondContact CD1-O 3.32Å; L367-I434 HydrophobicContact CD1-CD1 4.44Å; L367-I434 HydrophobicContact CD1-CG1 3.99Å
368	L	66.4	Low	60.1	Low	51 Å²	51	80.1 Å²	80.1	27%	0.267	42%	0.42	S	S	.	.	H	α-helix	trans	-67.3	-35.4	175	-67.4	166.6	0	0	0	112	T363 S364 N365 A371 S372	T363-L368 HydrophobicContact CG2-CD1 4.45Å; T363-L368 HydrophobicContact CG2-CD2 4.19Å; T363-L368 HydrophobicContact CG2-CG 4.03Å; S364-L368 PolarHBondContact O-N 3.08Å; N365-L368 PolarHBondContact O-N 3.05Å; L368-A371 PolarHBondContact O-N 3.13Å; L368-S372 PolarHBondContact O-OG 2.96Å
369	L	65	Low	57.5	Low	87 Å²	87	85.2 Å²	85.2	46%	0.455	46%	0.455	S	S	.	.	H	α-helix	trans	-70.8	-46.3	175.5	-73.6	164.6	0	0	0	111.3	N365 D366 L367 A371 S372 Y373	N365-L369 WeakPolarHBondContact O-CB 3.39Å; N365-L369 VanDerWaalsContact O-CG 3.27Å; N365-L369 WeakPolarHBondContact O-CG 3.32Å; N365-L369 PolarHBondContact O-N 2.93Å; D366-L369 PolarHBondContact O-N 2.98Å; L367-L369 VanDerWaalsContact C-N 3.35Å; L369-A371 PolarHBondContact O-N 2.85Å; L369-S372 WeakPolarHBondContact CA-OG 3.45Å; L369-S372 PolarHBondContact O-N 3.34Å; L369-S372 PolarHBondContact O-OG 3.25Å; L369-Y373 HydrophobicContact CD2-CE2 4.05Å; L369-Y373 WeakPolarHBondContact O-CD2 3.32Å; L369-Y373 PolarHBondContact O-N 2.87Å
370	Q	58.7	Low	54.9	Low	147 Å²	147	91 Å²	91	69%	0.687	48%	0.48	S	S	*	.	H	α-helix	trans	-57	-33.2	173.8	-74.9	173.3	10.3	0	0	112.6	D366 S372	D366-Q370 WeakPolarHBondContact O-CB 3.42Å; D366-Q370 VanDerWaalsContact O-CG 3.27Å; D366-Q370 WeakPolarHBondContact O-CG 3.34Å; D366-Q370 PolarHBondContact O-N 3.08Å; Q370-S372 VanDerWaalsContact C-N 3.26Å; Q370-S372 PolarHBondContact O-N 3.43Å
371	A	47.8	Very low	52.4	Low	42 Å²	42	98.8 Å²	98.8	35%	0.347	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-11.5	174	0	0	0	0	0	114.9	N318 L367 L368 L369	N318-A371 HydrophobicContact CB-CB 3.76Å; L367-A371 WeakPolarHBondContact O-CB 3.43Å; L367-A371 PolarHBondContact O-N 3.5Å; L367-A371 VanDerWaalsContact O-N 3.09Å; L368-A371 PolarHBondContact O-N 3.13Å; L369-A371 PolarHBondContact O-N 2.85Å
372	S	45.5	Very low	50	Low	81 Å²	81	103.1 Å²	103.1	57%	0.566	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	-11.3	-172.1	59.6	0	0	0	0	115.8	L368 L369 Q370	L368-S372 PolarHBondContact O-OG 2.96Å; L369-S372 WeakPolarHBondContact CA-OG 3.45Å; L369-S372 PolarHBondContact O-N 3.34Å; L369-S372 PolarHBondContact O-OG 3.25Å; Q370-S372 VanDerWaalsContact C-N 3.26Å; Q370-S372 PolarHBondContact O-N 3.43Å
373	Y	42.7	Very low	47.5	Very low	194 Å²	194	109.9 Å²	109.9	76%	0.761	58%	0.584	S	S	*	*			trans	-106.4	12.9	-179.2	-78.5	-80.1	0	0	0	114.9	L369 N375	L369-Y373 HydrophobicContact CD2-CE2 4.05Å; L369-Y373 WeakPolarHBondContact O-CD2 3.32Å; L369-Y373 PolarHBondContact O-N 2.87Å; Y373-N375 VanDerWaalsContact C-N 3.31Å; Y373-N375 PolarHBondContact O-N 3.04Å; Y373-N375 VanDerWaalsContact O-N 3.14Å
374	G	35.1	Very low	45.1	Very low	72 Å²	72	114.6 Å²	114.6	74%	0.742	61%	0.608	S	S	*	*			trans	-78.5	15.4	-169.4	0	0	0	0	0	118.2
375	N	27.6	Very low	42.8	Very low	145 Å²	145	120.8 Å²	120.8	78%	0.775	64%	0.641	S	S	*	*			trans	-116.2	141.3	178.3	-103	-32.8	0	0	0	110.7	Y373	Y373-N375 VanDerWaalsContact C-N 3.31Å; Y373-N375 PolarHBondContact O-N 3.04Å; Y373-N375 VanDerWaalsContact O-N 3.14Å
376	V	27.4	Very low	40.7	Very low	123 Å²	123	126.8 Å²	126.8	75%	0.745	67%	0.673	S	S	*	*			trans	75.1	86.6	-172.1	-168.7	0	0	0	0	114.1
377	Y	28.5	Very low	38.7	Very low	226 Å²	226	130.1 Å²	130.1	89%	0.886	69%	0.685	S	S	*	*			trans	-170.6	75.8	134	-82.3	-54.1	0	0	0	110.5
378	H	26.1	Very low	37.1	Very low	198 Å²	198	137.6 Å²	137.6	92%	0.917	71%	0.711	S	S	*	*			trans	-99.1	100.7	151.7	-104.9	-59.7	0	0	0	107.2
379	C	27.5	Very low	35.4	Very low	116 Å²	116	142 Å²	142	78%	0.784	74%	0.735	S	S	*	*			trans	-130.5	118.8	158.2	-103.3	0	0	0	0	108.1
380	H	28.4	Very low	33.9	Very low	155 Å²	155	145.5 Å²	145.5	72%	0.718	75%	0.752	S	S	*	*			trans	-54.8	149	148.9	-80.6	-92.5	0	0	0	108.7
381	D	33.6	Very low	32.6	Very low	167 Å²	167	144.4 Å²	144.4	89%	0.893	75%	0.751	S	S	*	*				-145	134.3	129.6	-99.8	-37.9	0	0	0	109.8
382	N	32.3	Very low	32.1	Very low	136 Å²	136	148.8 Å²	148.8	73%	0.727	76%	0.764	S	S	*	*			trans	-93	158.2	-175.3	-77.4	-42.5	0	0	0	111.2	N384	N382-N384 PolarHBondContact O-N 3.45Å
383	D	30.5	Very low	31.4	Very low	149 Å²	149	152.5 Å²	152.5	80%	0.797	77%	0.77	S	S	*	*	S	Bend	trans	-57.4	119	155.4	-94.7	-53	0	0	0	111
384	N	30.1	Very low	31	Very low	122 Å²	122	151.8 Å²	151.8	65%	0.652	78%	0.776	S	S	*	*			trans	62.8	119.3	144.9	-60.8	-62.2	0	0	0	120.9	N382	N382-N384 PolarHBondContact O-N 3.45Å
385	N	30.6	Very low	31	Very low	140 Å²	140	152.3 Å²	152.3	75%	0.749	77%	0.768	S	S	*	*			trans	94.9	136	141.6	-57.9	-31.7	0	0	0	120.5
386	N	32.8	Very low	31.2	Very low	154 Å²	154	151.9 Å²	151.9	82%	0.824	77%	0.766	S	S	*	*			trans	90.4	107.9	160.1	-57.5	-18.8	0	0	0	118.2
387	E	28.2	Very low	31.4	Very low	164 Å²	164	152.1 Å²	152.1	77%	0.766	76%	0.763	S	S	*	*			trans	-37.2	140.2	158.4	-56.7	164	114	0	0	113.4
388	Y	34	Very low	31.8	Very low	221 Å²	221	146.7 Å²	146.7	87%	0.867	76%	0.758	S	S	*	*				-173.1	138.9	104.1	-100.3	-71.4	0	0	0	111.3
389	N	30.5	Very low	32.1	Very low	144 Å²	144	143.8 Å²	143.8	77%	0.77	75%	0.747	S	S	*	*			trans	-67	158.2	177.7	-73	-55.7	0	0	0	113.2
390	I	34	Very low	32.5	Very low	159 Å²	159	147 Å²	147	82%	0.815	74%	0.743	S	S	*	*				-178.7	95.2	115.7	-85.6	149.8	0	0	0	110.5
391	D	32.3	Very low	32.7	Very low	125 Å²	125	148 Å²	148	67%	0.668	75%	0.748	S	S	*	*				44.1	110.7	107.9	-141.6	36.2	0	0	0	119.1
392	Q	35.9	Very low	32.5	Very low	133 Å²	133	144.5 Å²	144.5	62%	0.621	74%	0.737	S	S	*	*				166.6	123.1	102.5	-86	-178.3	36.7	0	0	117.8
393	K	32.1	Very low	32.4	Very low	159 Å²	159	144.3 Å²	144.3	69%	0.691	74%	0.736	S	S	*	*			trans	53.4	123.7	131	-57	168.6	-176	155.6	0	122.2
394	M	34.6	Very low	32.5	Very low	179 Å²	179	144.7 Å²	144.7	88%	0.882	74%	0.738	S	S	*	*				153.1	142.7	108.5	-85.3	-165.3	147.5	0	0	110.6
395	S	33.2	Very low	32.6	Very low	83 Å²	83	143.6 Å²	143.6	58%	0.58	74%	0.738	S	S	*	*			cis	178	148.5	-27.4	45	0	0	0	0	108.3
396	N	32.8	Very low	32.5	Very low	136 Å²	136	145.6 Å²	145.6	73%	0.727	74%	0.743	S	S	*	*			trans	74.4	146.1	161.3	-62.7	28.2	0	0	0	117.7
397	D	32.5	Very low	32.3	Very low	129 Å²	129	145 Å²	145	69%	0.69	74%	0.744	S	S	*	*			cis	-161.4	157.3	-5.6	-113.7	-31	0	0	0	113.3
398	S	35.6	Very low	32.3	Very low	111 Å²	111	142.4 Å²	142.4	78%	0.776	74%	0.742	S	S	*	*			trans	69.7	152.6	153	76.3	0	0	0	0	121
399	M	31.9	Very low	32	Very low	138 Å²	138	139.7 Å²	139.7	68%	0.68	74%	0.742	S	S	*	*			cis	-167.9	164.8	-35.9	-154.3	160.7	82.8	0	0	108.3
400	Y	36.7	Very low	31.9	Very low	183 Å²	183	140.8 Å²	140.8	72%	0.718	74%	0.742	S	S	*	*			trans	73.8	134	176.6	-56	-78.4	0	0	0	116.1
401	E	32	Very low	31.6	Very low	176 Å²	176	143.6 Å²	143.6	82%	0.822	74%	0.744	S	S	*	*			cis	-152.3	159.9	-9.8	-148.6	160	-151.7	0	0	110.5
402	S	30.4	Very low	31.4	Very low	93 Å²	93	145.5 Å²	145.5	65%	0.65	75%	0.753	S	S	*	*			trans	-103.6	173.7	-168.9	-176.7	0	0	0	0	113
403	N	29.6	Very low	31	Very low	132 Å²	132	146.7 Å²	146.7	71%	0.706	76%	0.764	S	S	*	*			trans	95.7	97.3	156.7	-43.7	-37.4	0	0	0	117.4
404	N	32.5	Very low	30.8	Very low	158 Å²	158	144.9 Å²	144.9	85%	0.845	76%	0.761	S	S	*	*				-166.3	159.7	92.3	-94.7	-22.2	0	0	0	112.8
405	P	33.1	Very low	30.5	Very low	99 Å²	99	144 Å²	144	64%	0.643	76%	0.755	S	S	*	*			trans	-110.1	170.7	-158.8	40.9	-33.3	0	0	0	115.4
406	E	27.3	Very low	30.4	Very low	182 Å²	182	145.5 Å²	145.5	85%	0.85	77%	0.766	S	S	*	*			trans	55.9	98.3	152.4	-70.8	170.1	-166.2	0	0	119.5
407	V	29.5	Very low	30.3	Very low	141 Å²	141	143.3 Å²	143.3	86%	0.855	76%	0.761	S	S	*	*			trans	-136.9	133.3	141.4	-176.9	0	0	0	0	108.7
408	P	27.7	Very low	30.1	Very low	110 Å²	110	144.4 Å²	144.4	71%	0.714	76%	0.762	S	S	*	*			trans	-84.8	154.6	-165.7	-11	29.2	0	0	0	115.7	Q410	P408-Q410 PolarHBondContact O-N 3.29Å; P408-Q410 VanDerWaalsContact O-N 3.09Å
409	D	28	Very low	29.8	Very low	164 Å²	164	146.9 Å²	146.9	88%	0.877	77%	0.766	S	S	*	*	S	Bend	trans	-58.3	103.2	170.4	-65.7	-59.7	0	0	0	112.8
410	Q	28.7	Very low	29.7	Very low	166 Å²	166	148.9 Å²	148.9	78%	0.776	78%	0.775	S	S	*	*			trans	-155.6	-1.6	171.1	-124.5	157.9	69.4	0	0	118.6	P408	P408-Q410 PolarHBondContact O-N 3.29Å; P408-Q410 VanDerWaalsContact O-N 3.09Å
411	Y	26.7	Very low	29.3	Very low	219 Å²	219	148.6 Å²	148.6	86%	0.859	78%	0.778	S	S	*	*	S	Bend	trans	-105	-5	-172.7	-86.9	-83.6	0	0	0	117.2
412	L	28.9	Very low	28.9	Very low	164 Å²	164	147.3 Å²	147.3	86%	0.859	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-1.3	-173.2	-100.3	150.5	0	0	0	116.2
413	N	27.6	Very low	28.8	Very low	159 Å²	159	149.8 Å²	149.8	85%	0.85	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	12.8	-173.4	-92.5	-28.9	0	0	0	116.1
414	L	28.2	Very low	28.6	Very low	120 Å²	120	153.8 Å²	153.8	63%	0.628	79%	0.794	S	S	*	*	S	Bend	trans	-126.8	-8.1	-172.9	-94.4	134.2	0	0	0	117.7
415	Q	28.4	Very low	28.4	Very low	162 Å²	162	157.7 Å²	157.7	76%	0.757	80%	0.796	S	S	*	*	S	Bend	trans	-95.2	-23.2	179	-74.1	-175.5	-15	0	0	114.6	S417	Q415-S417 PolarHBondContact O-N 3.39Å
416	S	29.7	Very low	28.2	Very low	114 Å²	114	158.4 Å²	158.4	80%	0.797	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-4.7	-176.5	-42.9	0	0	0	0	115.2
417	S	30.5	Very low	28.1	Very low	89 Å²	89	157.5 Å²	157.5	62%	0.622	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	-8.4	-173.7	62.7	0	0	0	0	115.2	Q415	Q415-S417 PolarHBondContact O-N 3.39Å
418	Q	30.1	Very low	28.3	Very low	152 Å²	152	156.3 Å²	156.3	71%	0.71	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	-18.6	-173.8	-65.9	-167.7	-6.5	0	0	115.1	M420	Q418-M420 VanDerWaalsContact C-N 3.27Å; Q418-M420 PolarHBondContact O-N 2.89Å
419	L	29.4	Very low	28.7	Very low	164 Å²	164	153.7 Å²	153.7	86%	0.859	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-6.3	-178.5	-78.7	158	0	0	0	115.1	K421	L419-K421 VanDerWaalsContact C-N 3.27Å; L419-K421 PolarHBondContact O-N 3.3Å
420	M	29.6	Very low	29.5	Very low	180 Å²	180	151.1 Å²	151.1	89%	0.887	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	6.9	-179.8	-79.8	-82.5	170.9	0	0	114.7	Q418	Q418-M420 VanDerWaalsContact C-N 3.27Å; Q418-M420 PolarHBondContact O-N 2.89Å
421	K	27.2	Very low	30.2	Very low	177 Å²	177	152.1 Å²	152.1	77%	0.77	76%	0.759	S	S	*	*	S	Bend	trans	-139.1	82.3	-179.3	-69	179.8	-178.1	172.6	0	111.7	L419	L419-K421 VanDerWaalsContact C-N 3.27Å; L419-K421 PolarHBondContact O-N 3.3Å
422	N	25	Very low	31.3	Very low	148 Å²	148	146.1 Å²	146.1	79%	0.791	74%	0.741	S	S	*	*				170	154.1	128.1	-83.9	-26.5	0	0	0	112.3
423	N	27.9	Very low	32.8	Very low	146 Å²	146	139.4 Å²	139.4	78%	0.781	71%	0.712	S	S	*	*			trans	72.4	92.2	159.3	-59.3	-19.3	0	0	0	119.6	R425	N423-R425 PolarHBondContact O-N 3.29Å
424	K	25.4	Very low	34.7	Very low	215 Å²	215	134.2 Å²	134.2	94%	0.935	68%	0.684	S	S	*	*			trans	-24.2	110.6	142.5	-58.2	167.8	178.2	176.4	0	113.3
425	R	27.5	Very low	37	Very low	240 Å²	240	129.9 Å²	129.9	91%	0.906	66%	0.661	S	S	*	*			trans	-155.9	144.8	157.3	-107.1	165.9	-170.9	-166.7	0.4	109.9	N423	N423-R425 PolarHBondContact O-N 3.29Å
426	V	28	Very low	39.3	Very low	114 Å²	114	122.5 Å²	122.5	69%	0.691	63%	0.627	S	S	*	*			trans	-42.7	126.9	-167.4	-177.8	0	0	0	0	114.9	Y428	V426-Y428 HydrophobicContact CB-CE2 4.38Å; V426-Y428 HydrophobicContact CG1-CD2 4.27Å; V426-Y428 HydrophobicContact CG1-CE2 3.84Å; V426-Y428 PolarHBondContact O-N 3.46Å
427	D	26.8	Very low	41.7	Very low	163 Å²	163	117.3 Å²	117.3	87%	0.872	59%	0.591	S	S	*	*			trans	-65	111.6	173.8	-84.9	-47.7	0	0	0	111.9
428	Y	33.3	Very low	44.3	Very low	117 Å²	117	113.4 Å²	113.4	46%	0.459	56%	0.563	S	S	.	*			trans	-113.6	146.5	155.6	-69.2	-79.8	0	0	0	108.4	V426 F430 I465	V426-Y428 HydrophobicContact CB-CE2 4.38Å; V426-Y428 HydrophobicContact CG1-CD2 4.27Å; V426-Y428 HydrophobicContact CG1-CE2 3.84Å; V426-Y428 PolarHBondContact O-N 3.46Å; Y428-F430 PolarHBondContact O-N 3.32Å; Y428-I465 HydrophobicContact CE1-CG2 4.13Å
429	G	35.6	Very low	46.7	Very low	54 Å²	54	106.3 Å²	106.3	56%	0.557	53%	0.53	S	S	*	.			trans	-70.6	53.8	-167	0	0	0	0	0	117.1	H431	G429-H431 PolarHBondContact O-N 3.13Å; G429-H431 VanDerWaalsContact O-N 3.11Å
430	F	45.1	Very low	49.1	Very low	111 Å²	111	104 Å²	104	49%	0.487	51%	0.513	S	S	.	.			trans	-72.6	6.1	-175.9	-89.3	-81.7	0	0	0	116.1	L339 Y428 L432 P468	L339-F430 HydrophobicContact CD2-CE1 3.92Å; L339-F430 HydrophobicContact CG-CE1 4.27Å; Y428-F430 PolarHBondContact O-N 3.32Å; F430-L432 PolarHBondContact O-N 3.47Å; F430-P468 HydrophobicContact CE1-CG 4.31Å; F430-P468 HydrophobicContact CE2-CB 4.44Å; F430-P468 HydrophobicContact CE2-CG 3.8Å; F430-P468 HydrophobicContact CZ-CB 3.68Å; F430-P468 HydrophobicContact CZ-CG 3.33Å
431	H	43	Very low	51.5	Low	186 Å²	186	100.1 Å²	100.1	86%	0.861	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	4	-161.8	-143.7	-57.7	0	0	0	115.9	G429	G429-H431 PolarHBondContact O-N 3.13Å; G429-H431 VanDerWaalsContact O-N 3.11Å
432	L	50.8	Low	54.1	Low	93 Å²	93	91.7 Å²	91.7	49%	0.487	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.7	6.9	-169.8	-92.8	144.2	0	0	0	115.1	I260 L367 F430 I434	I260-L432 HydrophobicContact CG2-CD2 4.49Å; L367-L432 VanDerWaalsContact CD1-O 3.29Å; L367-L432 WeakPolarHBondContact CD1-O 3.32Å; F430-L432 PolarHBondContact O-N 3.47Å; L432-I434 PolarHBondContact O-N 2.86Å; L432-I434 VanDerWaalsContact O-N 3.11Å
433	G	60.3	Low	56.8	Low	23 Å²	23	86.9 Å²	86.9	24%	0.237	43%	0.428	C	S	.	.	S	Bend	trans	61.9	21.2	171.9	0	0	0	0	0	116.5	W362 S364	W362-G433 VanDerWaalsContact CZ3-O 3.27Å; W362-G433 WeakPolarHBondContact CZ3-O 3.19Å; S364-G433 PolarHBondContact N-O 3.24Å
434	I	66.6	Low	59.5	Low	51 Å²	51	83.1 Å²	83.1	26%	0.262	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130.1	-179.9	-59.4	168.8	0	0	0	109.9	N264 W362 T363 L367 L432	N264-I434 PolarHBondContact ND2-O 3.47Å; N264-I434 VanDerWaalsContact ND2-O 3.07Å; W362-I434 CarbonylContact O-C 3.47Å; W362-I434 VanDerWaalsContact O-CA 3.3Å; W362-I434 WeakPolarHBondContact O-CA 3.22Å; T363-I434 HydrophobicContact CG2-CG1 4.28Å; L367-I434 HydrophobicContact CD1-CD1 4.44Å; L367-I434 HydrophobicContact CD1-CG1 3.99Å; L432-I434 PolarHBondContact O-N 2.86Å; L432-I434 VanDerWaalsContact O-N 3.11Å
435	L	75.8	Confident	62.3	Low	28 Å²	28	72.9 Å²	72.9	15%	0.147	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140.4	169.1	177.7	68.2	0	0	0	109.4	L339 K361 W362 V437	L339-L435 HydrophobicContact CD1-CD2 3.82Å; L339-L435 HydrophobicContact CD2-CB 3.95Å; L339-L435 HydrophobicContact CD2-CD2 4.02Å; K361-L435 CarbonylContact C-O 3.6Å; K361-L435 WeakPolarHBondContact CA-O 3.25Å; W362-L435 HydrophobicContact CB-CB 4.11Å; W362-L435 PolarHBondContact N-O 2.92Å; W362-L435 PolarHBondContact O-N 2.96Å; L435-V437 HydrophobicContact CD1-CG2 3.87Å; L435-V437 HydrophobicContact CD2-CG2 4.33Å; L435-V437 HydrophobicContact CG-CG2 4Å
436	S	77.8	Confident	64.9	Low	7 Å²	7	62.9 Å²	62.9	5%	0.049	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	126.3	168.8	-171.5	0	0	0	0	111.3	L360 K361	L360-S436 CarbonylContact O-C 3.15Å; L360-S436 WeakPolarHBondContact O-CA 3.33Å; K361-S436 WeakPolarHBondContact CG-OG 3.44Å
437	V	80.9	Confident	67.5	Low	6 Å²	6	57.6 Å²	57.6	4%	0.036	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	128	-172.2	-179.6	0	0	0	0	109.6	L360 L435 I442	L360-V437 HydrophobicContact CB-CB 4.43Å; L360-V437 PolarHBondContact N-O 3.21Å; L360-V437 PolarHBondContact O-N 3.43Å; L435-V437 HydrophobicContact CD1-CG2 3.87Å; L435-V437 HydrophobicContact CD2-CG2 4.33Å; L435-V437 HydrophobicContact CG-CG2 4Å; V437-I442 HydrophobicContact CG1-CD1 3.77Å; V437-I442 HydrophobicContact CG1-CG1 3.92Å
438	S	83.4	Confident	69.9	Low	7 Å²	7	52.6 Å²	52.6	5%	0.049	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	128.6	170.7	165.6	0	0	0	0	109.6	D357 K440 K441	D357-S438 VanDerWaalsContact CG-OG 3.29Å; D357-S438 PolarHBondContact OD1-OG 3.24Å; D357-S438 WeakPolarHBondContact OD2-CB 3.27Å; D357-S438 PolarHBondContact OD2-OG 2.83Å; S438-K440 PolarHBondContact O-N 3.31Å; S438-K440 PolarHBondContact OG-N 3.47Å; S438-K441 WeakPolarHBondContact O-CB 3.35Å; S438-K441 PolarHBondContact O-N 3.34Å
439	M	82	Confident	72	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.015	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-66.4	-21.1	-179	-74	-61.8	-56.6	0	0	113.2	L358 K441 I442 L486 L490 V602	L358-M439 HydrophobicContact CB-CB 4.13Å; L358-M439 HydrophobicContact CB-CG 4.33Å; L358-M439 HydrophobicContact CD2-CB 4.19Å; L358-M439 HydrophobicContact CD2-CG 3.9Å; L358-M439 HydrophobicContact CG-CB 4.3Å; L358-M439 HydrophobicContact CG-CG 3.97Å; L358-M439 WeakPolarHBondContact O-CB 3.43Å; L358-M439 PolarHBondContact O-N 2.66Å; M439-K441 PolarHBondContact O-N 3.09Å; M439-K441 VanDerWaalsContact O-N 3.14Å; M439-I442 HydrophobicContact CE-CB 4.13Å; M439-I442 HydrophobicContact CE-CG2 4.17Å; M439-I442 PolarHBondContact O-N 3.29Å; M439-I442 HydrophobicContact SD-CB 4.39Å; M439-I442 HydrophobicContact SD-CG1 4.11Å; M439-L486 HydrophobicContact CE-CD1 3.85Å; M439-L486 HydrophobicContact CE-CD2 4.27Å; M439-L486 HydrophobicContact CE-CG 4.38Å; M439-L486 HydrophobicContact CG-CD1 4.21Å; M439-L486 HydrophobicContact SD-CD1 3.99Å; M439-L490 HydrophobicContact CB-CD2 4.25Å; M439-L490 HydrophobicContact CE-CD2 4.47Å; M439-V602 HydrophobicContact CE-CG2 4.43Å
440	K	79.1	Confident	73.5	Confident	116 Å²	116	48.4 Å²	48.4	50%	0.504	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-62.9	-12.3	168.6	-73.4	178.7	-173.7	-176.7	0	114.3	N356 D357 S438 F462	N356-K440 WeakPolarHBondContact O-CE 3.4Å; N356-K440 PolarHBondContact O-NZ 3.2Å; D357-K440 WeakPolarHBondContact OD1-CD 3.42Å; D357-K440 WeakPolarHBondContact OD1-CE 3.44Å; D357-K440 VanDerWaalsContact OD1-CG 3.29Å; D357-K440 WeakPolarHBondContact OD1-CG 3.44Å; S438-K440 PolarHBondContact O-N 3.31Å; S438-K440 PolarHBondContact OG-N 3.47Å; K440-F462 VanDerWaalsContact O-CE2 3.28Å; K440-F462 WeakPolarHBondContact O-CE2 3.15Å
441	K	79.9	Confident	74.2	Confident	97 Å²	97	48.4 Å²	48.4	42%	0.422	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-96	-6.2	175	-65	-176.8	176.8	175.9	0	113.1	S438 M439 G461 F462	S438-K441 WeakPolarHBondContact O-CB 3.35Å; S438-K441 PolarHBondContact O-N 3.34Å; M439-K441 PolarHBondContact O-N 3.09Å; M439-K441 VanDerWaalsContact O-N 3.14Å; K441-G461 CarbonylContact O-C 3.5Å; K441-G461 WeakPolarHBondContact O-CA 3.48Å; K441-F462 VanDerWaalsContact C-CD2 3.44Å; K441-F462 WeakPolarHBondContact O-CD2 3.41Å; K441-F462 PolarHBondContact O-N 3.05Å
442	I	82.2	Confident	75	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.2	-172	-59.4	-53.6	0	0	0	111.5	V437 M439 Y444 V445 L459 V602	V437-I442 HydrophobicContact CG1-CD1 3.77Å; V437-I442 HydrophobicContact CG1-CG1 3.92Å; M439-I442 HydrophobicContact CE-CB 4.13Å; M439-I442 HydrophobicContact CE-CG2 4.17Å; M439-I442 PolarHBondContact O-N 3.29Å; M439-I442 HydrophobicContact SD-CB 4.39Å; M439-I442 HydrophobicContact SD-CG1 4.11Å; I442-Y444 WeakPolarHBondContact CG2-O 3.35Å; I442-V445 HydrophobicContact CG2-CG2 4.26Å; I442-L459 HydrophobicContact CD1-CB 3.98Å; I442-L459 HydrophobicContact CG1-CB 4.49Å; I442-L459 HydrophobicContact CG2-CB 4.41Å; I442-V602 HydrophobicContact CG2-CG2 4.32Å
443	E	81.5	Confident	75.5	Confident	48 Å²	48	41.4 Å²	41.4	22%	0.224	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-39.2	175.5	-163.9	-173.2	164.2	0	0	112.3	I460 F462 K601 V602	E443-I460 PolarHBondContact N-O 3.18Å; E443-F462 HydrophobicContact CB-CD1 3.84Å; E443-F462 HydrophobicContact CB-CE1 3.86Å; E443-F462 HydrophobicContact CB-CG 4.36Å; E443-F462 HydrophobicContact CB-CZ 4.37Å; E443-F462 HydrophobicContact CG-CD1 4.05Å; E443-F462 HydrophobicContact CG-CE1 3.78Å; E443-K601 IonicContact OE1-NZ 2.6Å; E443-K601 PolarHBondContact OE1-NZ 3.42Å; E443-V602 PolarHBondContact O-N 3.48Å
444	Y	83.7	Confident	75.9	Confident	66 Å²	66	43.9 Å²	43.9	26%	0.259	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	145.6	-178.3	-56.1	-85.2	0	0	0	112.8	I442 I460 I599 F600 K601	I442-Y444 WeakPolarHBondContact CG2-O 3.35Å; Y444-I460 PolarHBondContact N-O 3.02Å; Y444-I460 PolarHBondContact O-N 3.17Å; Y444-I599 HydrophobicContact CD1-CG2 3.87Å; Y444-F600 WeakPolarHBondContact CA-O 3.34Å; Y444-K601 HydrophobicContact CD1-CB 4.06Å; Y444-K601 HydrophobicContact CD1-CG 4.19Å; Y444-K601 HydrophobicContact CE1-CB 3.97Å; Y444-K601 HydrophobicContact CE1-CD 3.9Å; Y444-K601 HydrophobicContact CE1-CG 3.79Å; Y444-K601 PolarHBondContact OH-NZ 2.94Å
445	V	84.5	Confident	76.4	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	110.4	170.2	-179.5	0	0	0	0	107.4	I442 I457 L459 L483 L486 L496 F600 V602	I442-V445 HydrophobicContact CG2-CG2 4.26Å; V445-I457 HydrophobicContact CG1-CG2 3.83Å; V445-L459 HydrophobicContact CB-CD2 4.36Å; V445-L459 HydrophobicContact CG1-CD2 4.04Å; V445-L459 HydrophobicContact CG2-CD2 3.82Å; V445-L483 HydrophobicContact CG1-CD2 4.37Å; V445-L486 HydrophobicContact CG2-CD2 4.31Å; V445-L496 HydrophobicContact CG2-CD2 4.48Å; V445-F600 HydrophobicContact CB-CB 4.31Å; V445-F600 PolarHBondContact N-O 2.71Å; V445-F600 PolarHBondContact O-N 2.96Å; V445-V602 HydrophobicContact CG2-CG2 4.3Å
446	H	82	Confident	76.7	Confident	29 Å²	29	40.7 Å²	40.7	13%	0.134	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.1	179.2	-75.8	-149.7	0	0	0	109.9	H448 I457 I458 I460	H446-H448 AromaticContact ND1-NE2 3.86Å; H446-I457 CarbonylContact O-C 3.21Å; H446-I457 WeakPolarHBondContact O-CA 3.33Å; H446-I458 HydrophobicContact CB-CB 4.18Å; H446-I458 PolarHBondContact N-O 2.68Å; H446-I458 PolarHBondContact O-N 3.4Å; H446-I460 WeakPolarHBondContact NE2-CD1 3.43Å
447	L	83	Confident	77.1	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.7	172.8	176.1	61.8	0	0	0	109	Y455 C456 I457 V479 G597 V598 F600	L447-Y455 HydrophobicContact CD1-CD1 4.16Å; L447-C456 WeakPolarHBondContact CA-O 3.48Å; L447-I457 HydrophobicContact CD1-CG1 4.27Å; L447-V479 HydrophobicContact CD1-CG1 3.63Å; L447-V479 HydrophobicContact CD2-CG1 4.06Å; L447-V479 HydrophobicContact CG-CG1 4.49Å; L447-G597 CarbonylContact O-C 3.43Å; L447-G597 WeakPolarHBondContact O-CA 3.3Å; L447-V598 HydrophobicContact CB-CB 4.45Å; L447-V598 PolarHBondContact N-O 3.43Å; L447-V598 PolarHBondContact O-N 2.9Å; L447-F600 HydrophobicContact CB-CE2 4.23Å; L447-F600 HydrophobicContact CD2-CE2 4.45Å
448	H	78.2	Confident	77.3	Confident	58 Å²	58	42 Å²	42	27%	0.269	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	145.6	175.2	-69.5	-97.3	0	0	0	110.5	H446 Y455 C456	H446-H448 AromaticContact ND1-NE2 3.86Å; H448-Y455 WeakPolarHBondContact O-CA 3.23Å; H448-C456 HydrophobicContact CB-CB 4.37Å; H448-C456 PolarHBondContact N-O 2.95Å; H448-C456 PolarHBondContact O-N 3.17Å
449	Q	75.6	Confident	77.4	Confident	38 Å²	38	41.7 Å²	41.7	18%	0.178	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.1	167.4	-176.5	180	-34.9	0	0	109.8	E454 Y455 W528 K596	Q449-E454 WeakPolarHBondContact CA-O 3.29Å; Q449-Y455 HydrophobicContact CB-CD1 4.24Å; Q449-Y455 HydrophobicContact CB-CE1 4.16Å; Q449-Y455 HydrophobicContact CG-CD1 4.44Å; Q449-Y455 HydrophobicContact CG-CE1 4.15Å; Q449-Y455 PolarHBondContact OE1-OH 3.32Å; Q449-W528 HydrophobicContact CB-CH2 4.48Å; Q449-W528 HydrophobicContact CB-CZ2 3.88Å; Q449-W528 VanDerWaalsContact OE1-CE2 3.3Å; Q449-K596 PolarHBondContact N-O 3.43Å
450	D	67.5	Low	77.5	Confident	46 Å²	46	43 Å²	43	25%	0.246	23%	0.232	C	C	.	.			trans	-76.5	162.7	175.6	-81.8	-5.2	0	0	0	111.2	S452 S453 E454 R471	D450-S452 PolarHBondContact O-N 2.74Å; D450-S452 VanDerWaalsContact O-N 3.11Å; D450-S453 PolarHBondContact O-N 3.13Å; D450-E454 PolarHBondContact N-O 3.48Å; D450-R471 IonicContact OD2-CZ 3.14Å; D450-R471 IonicContact OD2-NH1 2.71Å; D450-R471 PolarHBondContact OD2-NH1 3.41Å; D450-R471 IonicContact OD2-NH2 3.24Å
451	A	59.9	Low	77.5	Confident	110 Å²	110	37.5 Å²	37.5	91%	0.909	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.4	176.3	0	0	0	0	0	113.3	S453	A451-S453 PolarHBondContact O-N 2.86Å
452	S	60.7	Low	77.4	Confident	73 Å²	73	38.2 Å²	38.2	51%	0.51	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-3.5	172.6	53.9	0	0	0	0	114.4	D450 E454	D450-S452 PolarHBondContact O-N 2.74Å; D450-S452 VanDerWaalsContact O-N 3.11Å; S452-E454 PolarHBondContact O-N 3.48Å; S452-E454 WeakPolarHBondContact OG-CG 3.22Å
453	S	61.6	Low	77.1	Confident	59 Å²	59	43 Å²	43	41%	0.413	24%	0.238	S	C	.	.	S	Bend	trans	63.3	18.1	-168.3	-59.4	0	0	0	0	115.3	D450 A451	D450-S453 PolarHBondContact O-N 3.13Å; A451-S453 PolarHBondContact O-N 2.86Å
454	E	68.5	Low	76.6	Confident	75 Å²	75	43.3 Å²	43.3	35%	0.35	25%	0.253	S	S	.	.			trans	-77.4	154	165.1	-66.3	-178.5	162.5	0	0	110.9	Q449 D450 S452 R471	Q449-E454 WeakPolarHBondContact CA-O 3.29Å; D450-E454 PolarHBondContact N-O 3.48Å; S452-E454 PolarHBondContact O-N 3.48Å; S452-E454 WeakPolarHBondContact OG-CG 3.22Å; E454-R471 IonicContact OE2-NH1 3.39Å
455	Y	76.6	Confident	76.2	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.9	-179.8	-65	-89.8	0	0	0	110.1	L447 H448 Q449 L472 F476 V479 K524 W528	L447-Y455 HydrophobicContact CD1-CD1 4.16Å; H448-Y455 WeakPolarHBondContact O-CA 3.23Å; Q449-Y455 HydrophobicContact CB-CD1 4.24Å; Q449-Y455 HydrophobicContact CB-CE1 4.16Å; Q449-Y455 HydrophobicContact CG-CD1 4.44Å; Q449-Y455 HydrophobicContact CG-CE1 4.15Å; Q449-Y455 PolarHBondContact OE1-OH 3.32Å; Y455-L472 PolarHBondContact O-N 2.85Å; Y455-F476 HydrophobicContact CE1-CD2 4.05Å; Y455-F476 HydrophobicContact CE2-CB 3.93Å; Y455-F476 VanDerWaalsContact CE2-N 3.3Å; Y455-V479 HydrophobicContact CG-CG2 4.12Å; Y455-K524 VanDerWaalsContact OH-CE 3.28Å; Y455-K524 WeakPolarHBondContact OH-CE 3.14Å; Y455-W528 HydrophobicContact CE1-CZ2 4.33Å
456	C	81.7	Confident	75.9	Confident	8 Å²	8	45.3 Å²	45.3	5%	0.054	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.2	-177.6	174.9	0	0	0	0	109.6	L447 H448 P469	L447-C456 WeakPolarHBondContact CA-O 3.48Å; H448-C456 HydrophobicContact CB-CB 4.37Å; H448-C456 PolarHBondContact N-O 2.95Å; H448-C456 PolarHBondContact O-N 3.17Å; C456-P469 WeakPolarHBondContact SG-CB 3.48Å
457	I	86.3	Confident	75.8	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.5	174.5	-55.9	178.9	0	0	0	108.5	V445 H446 L447 L459 I470 L472 V479 F482	V445-I457 HydrophobicContact CG1-CG2 3.83Å; H446-I457 CarbonylContact O-C 3.21Å; H446-I457 WeakPolarHBondContact O-CA 3.33Å; L447-I457 HydrophobicContact CD1-CG1 4.27Å; I457-L459 HydrophobicContact CG2-CD2 4.13Å; I457-I470 HydrophobicContact CB-CB 4.4Å; I457-I470 PolarHBondContact N-O 3.04Å; I457-I470 PolarHBondContact O-N 3.18Å; I457-L472 HydrophobicContact CD1-CD1 3.67Å; I457-L472 HydrophobicContact CD1-CG 4.42Å; I457-V479 HydrophobicContact CD1-CG1 4.15Å; I457-V479 HydrophobicContact CG1-CG1 4.46Å; I457-F482 HydrophobicContact CD1-CD1 3.45Å; I457-F482 VanDerWaalsContact CD1-CD1 3.45Å; I457-F482 HydrophobicContact CD1-CE1 3.66Å; I457-F482 HydrophobicContact CD1-CG 4.42Å
458	I	84.8	Confident	75.5	Confident	39 Å²	39	47.5 Å²	47.5	20%	0.2	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126	174.5	-55.4	173.2	0	0	0	107.6	H446 P466 P469	H446-I458 HydrophobicContact CB-CB 4.18Å; H446-I458 PolarHBondContact N-O 2.68Å; H446-I458 PolarHBondContact O-N 3.4Å; I458-P466 HydrophobicContact CG2-CB 3.96Å; I458-P469 HydrophobicContact CG1-CB 4.19Å
459	L	85.7	Confident	75.7	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	134.2	177.1	-53	171.3	0	0	0	108.6	L360 I442 V445 I457 H467 I470	L360-L459 HydrophobicContact CD2-CD1 3.4Å; I442-L459 HydrophobicContact CD1-CB 3.98Å; I442-L459 HydrophobicContact CG1-CB 4.49Å; I442-L459 HydrophobicContact CG2-CB 4.41Å; V445-L459 HydrophobicContact CB-CD2 4.36Å; V445-L459 HydrophobicContact CG1-CD2 4.04Å; V445-L459 HydrophobicContact CG2-CD2 3.82Å; I457-L459 HydrophobicContact CG2-CD2 4.13Å; L459-H467 HydrophobicContact CB-CB 4.18Å; L459-H467 WeakPolarHBondContact O-CB 3.35Å; L459-H467 PolarHBondContact O-N 3.01Å; L459-I470 HydrophobicContact CD1-CD1 4.07Å; L459-I470 HydrophobicContact CG-CD1 4.44Å
460	I	83.8	Confident	76.1	Confident	29 Å²	29	44.3 Å²	44.3	15%	0.149	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.2	-179.7	-53.9	-176.7	0	0	0	109	E443 Y444 H446	E443-I460 PolarHBondContact N-O 3.18Å; Y444-I460 PolarHBondContact N-O 3.02Å; Y444-I460 PolarHBondContact O-N 3.17Å; H446-I460 WeakPolarHBondContact NE2-CD1 3.43Å
461	G	80.2	Confident	76.8	Confident	1 Å²	1	44 Å²	44	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	164.8	178.7	0	0	0	0	0	113.8	K441 D463 G464 I465	K441-G461 CarbonylContact O-C 3.5Å; K441-G461 WeakPolarHBondContact O-CA 3.48Å; G461-D463 WeakPolarHBondContact CA-OD1 3.31Å; G461-D463 PolarHBondContact O-N 2.89Å; G461-G464 WeakPolarHBondContact O-CA 3.31Å; G461-G464 PolarHBondContact O-N 3.12Å; G461-I465 PolarHBondContact N-O 3.43Å
462	F	76.7	Confident	77.7	Confident	112 Å²	112	39 Å²	39	49%	0.491	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-15	168.8	-76.7	-71.8	0	0	0	113.6	K440 K441 E443	K440-F462 VanDerWaalsContact O-CE2 3.28Å; K440-F462 WeakPolarHBondContact O-CE2 3.15Å; K441-F462 VanDerWaalsContact C-CD2 3.44Å; K441-F462 WeakPolarHBondContact O-CD2 3.41Å; K441-F462 PolarHBondContact O-N 3.05Å; E443-F462 HydrophobicContact CB-CD1 3.84Å; E443-F462 HydrophobicContact CB-CE1 3.86Å; E443-F462 HydrophobicContact CB-CG 4.36Å; E443-F462 HydrophobicContact CB-CZ 4.37Å; E443-F462 HydrophobicContact CG-CD1 4.05Å; E443-F462 HydrophobicContact CG-CE1 3.78Å
463	D	75.6	Confident	78.2	Confident	102 Å²	102	39 Å²	39	55%	0.545	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-2	168.9	54.2	9.5	0	0	0	113	G461 I465	G461-D463 WeakPolarHBondContact CA-OD1 3.31Å; G461-D463 PolarHBondContact O-N 2.89Å; D463-I465 VanDerWaalsContact C-N 3.25Å; D463-I465 HydrophobicContact CB-CD1 4.24Å; D463-I465 HydrophobicContact CB-CG1 4.19Å; D463-I465 PolarHBondContact O-N 3.06Å; D463-I465 WeakPolarHBondContact OD1-CB 3.44Å; D463-I465 PolarHBondContact OD1-N 3.27Å
464	G	71.9	Confident	78.4	Confident	53 Å²	53	39.3 Å²	39.3	55%	0.546	23%	0.229	S	C	.	.	S	Bend	trans	76.8	7.5	-176.7	0	0	0	0	0	114.1	G461	G461-G464 WeakPolarHBondContact O-CA 3.31Å; G461-G464 PolarHBondContact O-N 3.12Å
465	I	74.4	Confident	78.6	Confident	44 Å²	44	36.8 Å²	36.8	23%	0.226	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-90.4	125.4	-173.3	-58.6	-179.5	0	0	0	109.5	Y268 Y428 G461 D463	Y268-I465 HydrophobicContact CE2-CD1 4.18Å; Y268-I465 WeakPolarHBondContact OH-CD1 3.34Å; Y428-I465 HydrophobicContact CE1-CG2 4.13Å; G461-I465 PolarHBondContact N-O 3.43Å; D463-I465 VanDerWaalsContact C-N 3.25Å; D463-I465 HydrophobicContact CB-CD1 4.24Å; D463-I465 HydrophobicContact CB-CG1 4.19Å; D463-I465 PolarHBondContact O-N 3.06Å; D463-I465 WeakPolarHBondContact OD1-CB 3.44Å; D463-I465 PolarHBondContact OD1-N 3.27Å
466	P	79	Confident	78.3	Confident	66 Å²	66	37.4 Å²	37.4	43%	0.429	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-76.6	125.6	175.3	30.6	-32.6	0	0	0	110.2	I458	I458-P466 HydrophobicContact CG2-CB 3.96Å
467	H	79.2	Confident	78	Confident	53 Å²	53	42 Å²	42	25%	0.245	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-66.9	159.6	164.8	-72.1	-80.1	0	0	0	110.9	L459	L459-H467 HydrophobicContact CB-CB 4.18Å; L459-H467 WeakPolarHBondContact O-CB 3.35Å; L459-H467 PolarHBondContact O-N 3.01Å
468	P	77.8	Confident	77.6	Confident	25 Å²	25	42.2 Å²	42.2	16%	0.162	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-57.7	145.1	-179.5	-23.2	33.2	0	0	0	113	L339 F430 I470	L339-P468 HydrophobicContact CD1-CB 3.94Å; L339-P468 HydrophobicContact CG-CB 4.09Å; F430-P468 HydrophobicContact CE1-CG 4.31Å; F430-P468 HydrophobicContact CE2-CB 4.44Å; F430-P468 HydrophobicContact CE2-CG 3.8Å; F430-P468 HydrophobicContact CZ-CB 3.68Å; F430-P468 HydrophobicContact CZ-CG 3.33Å; P468-I470 PolarHBondContact O-N 2.87Å
469	P	81.5	Confident	77.4	Confident	28 Å²	28	40.4 Å²	40.4	18%	0.182	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-62.9	131.1	-179.7	22.9	-31.5	0	0	0	111.9	G340 C456 I458	G340-P469 PolarHBondContact N-O 2.84Å; C456-P469 WeakPolarHBondContact SG-CB 3.48Å; I458-P469 HydrophobicContact CG1-CB 4.19Å
470	I	84.8	Confident	77.2	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	113.9	179.5	-59.8	160.1	0	0	0	108.2	V337 L339 F349 L360 I457 L459 P468 L472	V337-I470 HydrophobicContact CG1-CG2 3.55Å; L339-I470 HydrophobicContact CD1-CG1 3.74Å; F349-I470 HydrophobicContact CD2-CG2 4.45Å; F349-I470 HydrophobicContact CE1-CG2 4.39Å; F349-I470 HydrophobicContact CE2-CD1 3.84Å; F349-I470 HydrophobicContact CE2-CG1 4.48Å; F349-I470 HydrophobicContact CE2-CG2 4.03Å; F349-I470 HydrophobicContact CZ-CD1 4Å; F349-I470 HydrophobicContact CZ-CG2 3.97Å; L360-I470 HydrophobicContact CD2-CD1 4.25Å; I457-I470 HydrophobicContact CB-CB 4.4Å; I457-I470 PolarHBondContact N-O 3.04Å; I457-I470 PolarHBondContact O-N 3.18Å; L459-I470 HydrophobicContact CD1-CD1 4.07Å; L459-I470 HydrophobicContact CG-CD1 4.44Å; P468-I470 PolarHBondContact O-N 2.87Å; I470-L472 HydrophobicContact CG2-CD2 4.25Å
471	R	81.8	Confident	77.1	Confident	39 Å²	39	43.8 Å²	43.8	15%	0.147	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	117.6	179.2	-51.1	178.8	-177.4	-118.5	-5.5	110.6	M338 G340 D341 D450 E454	M338-R471 HydrophobicContact CB-CB 4.21Å; M338-R471 PolarHBondContact N-O 3.14Å; M338-R471 PolarHBondContact O-N 3.37Å; G340-R471 PolarHBondContact O-NE 3.5Å; D341-R471 IonicContact OD1-CZ 3.73Å; D341-R471 IonicContact OD1-NH2 2.91Å; D341-R471 PolarHBondContact OD1-NH2 3.25Å; D450-R471 IonicContact OD2-CZ 3.14Å; D450-R471 IonicContact OD2-NH1 2.71Å; D450-R471 PolarHBondContact OD2-NH1 3.41Å; D450-R471 IonicContact OD2-NH2 3.24Å; E454-R471 IonicContact OE2-NH1 3.39Å
472	L	78.7	Confident	77.3	Confident	5 Å²	5	43.9 Å²	43.9	3%	0.026	26%	0.259	C	S	.	.			trans	-99.1	101	-178.9	-64.1	178.7	0	0	0	111.2	K334 V337 F349 Y455 I457 I470 A478 V479 F482	K334-L472 HydrophobicContact CD-CD2 4.43Å; V337-L472 HydrophobicContact CB-CD2 4.3Å; V337-L472 HydrophobicContact CG1-CD2 3.77Å; V337-L472 HydrophobicContact CG2-CD2 3.53Å; F349-L472 HydrophobicContact CD1-CD2 3.98Å; F349-L472 HydrophobicContact CE1-CD2 4.15Å; Y455-L472 PolarHBondContact O-N 2.85Å; I457-L472 HydrophobicContact CD1-CD1 3.67Å; I457-L472 HydrophobicContact CD1-CG 4.42Å; I470-L472 HydrophobicContact CG2-CD2 4.25Å; L472-A478 HydrophobicContact CB-CB 4.42Å; L472-V479 HydrophobicContact CB-CG2 4.34Å; L472-V479 HydrophobicContact CD1-CG2 4.23Å; L472-F482 HydrophobicContact CD1-CB 4.09Å; L472-F482 HydrophobicContact CD1-CG 4.31Å
473	H	71.6	Confident	77.7	Confident	73 Å²	73	39 Å²	39	34%	0.338	24%	0.238	S	C	.	.	S	Bend	trans	-58.7	138.3	172	-63.1	111.7	0	0	0	111.7	K334 N336 M338	K334-H473 WeakPolarHBondContact CE-O 3.37Å; K334-H473 PolarHBondContact NZ-O 3.47Å; N336-H473 PolarHBondContact O-ND1 3.49Å; M338-H473 VanDerWaalsContact SD-CE1 3.57Å
474	G	64.7	Low	78.1	Confident	65 Å²	65	36 Å²	36	67%	0.67	22%	0.222	S	C	*	.	S	Bend	trans	112.3	10.2	-175.6	0	0	0	0	0	115.3
475	G	73	Confident	78.7	Confident	23 Å²	23	34.5 Å²	34.5	24%	0.237	20%	0.203	C	C	.	.	H	α-helix	trans	68.1	-162.5	170.1	0	0	0	0	0	114.4	N477 A478	G475-N477 PolarHBondContact O-N 3.42Å; G475-N477 VanDerWaalsContact O-N 3.14Å; G475-A478 WeakPolarHBondContact O-CB 3.45Å; G475-A478 PolarHBondContact O-N 2.59Å; G475-A478 VanDerWaalsContact O-N 3.08Å
476	F	71.2	Confident	79.3	Confident	17 Å²	17	32.4 Å²	32.4	8%	0.075	19%	0.193	C	C	.	.	H	α-helix	trans	-55.4	-37.5	-172.1	-175.9	-100.9	0	0	0	113.3	Y455 A478 V479 Y480 I523 K524 F527	Y455-F476 HydrophobicContact CE1-CD2 4.05Å; Y455-F476 HydrophobicContact CE2-CB 3.93Å; Y455-F476 VanDerWaalsContact CE2-N 3.3Å; F476-A478 VanDerWaalsContact C-N 3.31Å; F476-A478 PolarHBondContact O-N 3.23Å; F476-V479 PolarHBondContact O-N 3.22Å; F476-Y480 HydrophobicContact CE1-CD2 4.27Å; F476-Y480 HydrophobicContact CE1-CG 4.21Å; F476-Y480 HydrophobicContact CZ-CD2 4.35Å; F476-Y480 WeakPolarHBondContact O-CB 3.31Å; F476-Y480 PolarHBondContact O-N 3.15Å; F476-I523 HydrophobicContact CD1-CG2 4.13Å; F476-I523 HydrophobicContact CE1-CG2 3.92Å; F476-K524 HydrophobicContact CB-CG 4.2Å; F476-F527 AromaticContact CE2-CD1 3.87Å; F476-F527 HydrophobicContact CE2-CD1 3.87Å; F476-F527 HydrophobicContact CE2-CD2 4.34Å; F476-F527 HydrophobicContact CE2-CE1 4Å; F476-F527 HydrophobicContact CE2-CE2 4.45Å; F476-F527 HydrophobicContact CE2-CG 4.04Å; F476-F527 HydrophobicContact CE2-CZ 4.29Å; F476-F527 HydrophobicContact CZ-CB 4.39Å; F476-F527 HydrophobicContact CZ-CD1 4.29Å; F476-F527 HydrophobicContact CZ-CD2 4Å; F476-F527 HydrophobicContact CZ-CE2 4.31Å; F476-F527 AromaticContact CZ-CG 3.98Å; F476-F527 HydrophobicContact CZ-CG 3.98Å
477	N	74.6	Confident	79.6	Confident	104 Å²	104	29.9 Å²	29.9	56%	0.556	18%	0.175	S	C	*	.	H	α-helix	trans	-64.3	-34.5	-178.2	-158.6	43.9	0	0	0	112.7	G475 N481	G475-N477 PolarHBondContact O-N 3.42Å; G475-N477 VanDerWaalsContact O-N 3.14Å; N477-N481 WeakPolarHBondContact O-CB 3.48Å; N477-N481 PolarHBondContact O-N 2.88Å; N477-N481 PolarHBondContact O-ND2 2.96Å
478	A	78.7	Confident	79.8	Confident	7 Å²	7	33.5 Å²	33.5	6%	0.058	19%	0.192	C	C	.	.	H	α-helix	trans	-64.2	-42.6	176.1	0	0	0	0	0	112.3	Y332 L472 G475 F476 F482	Y332-A478 PolarHBondContact OH-O 2.87Å; L472-A478 HydrophobicContact CB-CB 4.42Å; G475-A478 WeakPolarHBondContact O-CB 3.45Å; G475-A478 PolarHBondContact O-N 2.59Å; G475-A478 VanDerWaalsContact O-N 3.08Å; F476-A478 VanDerWaalsContact C-N 3.31Å; F476-A478 PolarHBondContact O-N 3.23Å; A478-F482 PolarHBondContact O-N 3.13Å
479	V	81.3	Confident	79.9	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-71	-43.6	177.6	-179.3	0	0	0	0	110.7	L447 Y455 I457 L472 F476 N481 F482 L483	L447-V479 HydrophobicContact CD1-CG1 3.63Å; L447-V479 HydrophobicContact CD2-CG1 4.06Å; L447-V479 HydrophobicContact CG-CG1 4.49Å; Y455-V479 HydrophobicContact CG-CG2 4.12Å; I457-V479 HydrophobicContact CD1-CG1 4.15Å; I457-V479 HydrophobicContact CG1-CG1 4.46Å; L472-V479 HydrophobicContact CB-CG2 4.34Å; L472-V479 HydrophobicContact CD1-CG2 4.23Å; F476-V479 PolarHBondContact O-N 3.22Å; V479-N481 PolarHBondContact O-N 2.91Å; V479-F482 WeakPolarHBondContact O-CB 3.43Å; V479-F482 PolarHBondContact O-N 3.36Å; V479-F482 VanDerWaalsContact O-N 3.15Å; V479-L483 HydrophobicContact CG1-CD1 3.98Å; V479-L483 HydrophobicContact CG1-CG 4.32Å; V479-L483 WeakPolarHBondContact O-CG 3.45Å; V479-L483 PolarHBondContact O-N 2.87Å
480	Y	80.3	Confident	80	Confident	31 Å²	31	32.3 Å²	32.3	12%	0.122	19%	0.187	C	C	.	.	H	α-helix	trans	-60	-47.2	179.7	-171.7	-121.4	0	0	0	111.4	F476 F482 L483 I484 L503 D504	F476-Y480 HydrophobicContact CE1-CD2 4.27Å; F476-Y480 HydrophobicContact CE1-CG 4.21Å; F476-Y480 HydrophobicContact CZ-CD2 4.35Å; F476-Y480 WeakPolarHBondContact O-CB 3.31Å; F476-Y480 PolarHBondContact O-N 3.15Å; Y480-F482 VanDerWaalsContact C-N 3.32Å; Y480-F482 PolarHBondContact O-N 3.41Å; Y480-L483 PolarHBondContact O-N 3.07Å; Y480-I484 HydrophobicContact CD1-CD1 3.82Å; Y480-I484 HydrophobicContact CE1-CD1 3.48Å; Y480-I484 VanDerWaalsContact CE1-CD1 3.48Å; Y480-I484 HydrophobicContact CE2-CD1 4.22Å; Y480-I484 HydrophobicContact CE2-CG1 4.48Å; Y480-I484 HydrophobicContact CG-CD1 4.35Å; Y480-I484 WeakPolarHBondContact O-CG1 3.45Å; Y480-I484 PolarHBondContact O-N 2.6Å; Y480-L503 HydrophobicContact CD2-CD2 4.24Å; Y480-L503 HydrophobicContact CE2-CD2 3.61Å; Y480-D504 PolarHBondContact OH-OD1 3.45Å
481	N	81.2	Confident	79.6	Confident	71 Å²	71	37.2 Å²	37.2	38%	0.38	21%	0.209	S	C	.	.	H	α-helix	trans	-61	-40.2	174.6	-68.8	-9.4	0	0	0	112	Y332 N477 V479 I484 C485	Y332-N481 HydrophobicContact CE2-CB 4.19Å; N477-N481 WeakPolarHBondContact O-CB 3.48Å; N477-N481 PolarHBondContact O-N 2.88Å; N477-N481 PolarHBondContact O-ND2 2.96Å; V479-N481 PolarHBondContact O-N 2.91Å; N481-I484 PolarHBondContact O-N 2.83Å; N481-C485 PolarHBondContact O-N 2.94Å; N481-C485 PolarHBondContact O-SG 3.3Å
482	F	86.4	Confident	78.8	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.009	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-46.4	174.8	170.7	-103.8	0	0	0	111.9	Y332 F349 L360 I457 L472 A478 V479 Y480 I484 C485 L486	Y332-F482 AromaticContact CD1-CD2 3.95Å; Y332-F482 HydrophobicContact CD1-CD2 3.95Å; Y332-F482 HydrophobicContact CD2-CB 4.3Å; Y332-F482 HydrophobicContact CE1-CB 4.24Å; Y332-F482 HydrophobicContact CE1-CD2 4.09Å; Y332-F482 HydrophobicContact CE2-CB 3.79Å; Y332-F482 HydrophobicContact CG-CD2 4.19Å; F349-F482 AromaticContact CE1-CD2 3.8Å; F349-F482 HydrophobicContact CE1-CD2 3.8Å; F349-F482 AromaticContact CE1-CE2 3.56Å; F349-F482 HydrophobicContact CE1-CE2 3.56Å; F349-F482 HydrophobicContact CE1-CZ 4.12Å; F349-F482 AromaticContact CZ-CE2 3.86Å; F349-F482 HydrophobicContact CZ-CE2 3.86Å; F349-F482 HydrophobicContact CZ-CZ 4.05Å; L360-F482 HydrophobicContact CD1-CE2 3.79Å; L360-F482 HydrophobicContact CD1-CZ 4.05Å; I457-F482 HydrophobicContact CD1-CD1 3.45Å; I457-F482 VanDerWaalsContact CD1-CD1 3.45Å; I457-F482 HydrophobicContact CD1-CE1 3.66Å; I457-F482 HydrophobicContact CD1-CG 4.42Å; L472-F482 HydrophobicContact CD1-CB 4.09Å; L472-F482 HydrophobicContact CD1-CG 4.31Å; A478-F482 PolarHBondContact O-N 3.13Å; V479-F482 WeakPolarHBondContact O-CB 3.43Å; V479-F482 PolarHBondContact O-N 3.36Å; V479-F482 VanDerWaalsContact O-N 3.15Å; Y480-F482 VanDerWaalsContact C-N 3.32Å; Y480-F482 PolarHBondContact O-N 3.41Å; F482-I484 VanDerWaalsContact C-N 3.34Å; F482-I484 PolarHBondContact O-N 2.7Å; F482-C485 PolarHBondContact O-N 3.45Å; F482-L486 HydrophobicContact CE1-CD2 3.99Å; F482-L486 HydrophobicContact CZ-CD1 4.49Å; F482-L486 HydrophobicContact CZ-CD2 4.1Å; F482-L486 WeakPolarHBondContact O-CB 3.25Å; F482-L486 PolarHBondContact O-N 2.9Å
483	L	84.8	Confident	78.4	Confident	9 Å²	9	44.5 Å²	44.5	5%	0.047	26%	0.256	C	S	.	.	H	α-helix	trans	-63.5	-37.8	179.1	-69.9	172.1	0	0	0	112.2	V445 V479 Y480 L486 D487 L496 T500 F600	V445-L483 HydrophobicContact CG1-CD2 4.37Å; V479-L483 HydrophobicContact CG1-CD1 3.98Å; V479-L483 HydrophobicContact CG1-CG 4.32Å; V479-L483 WeakPolarHBondContact O-CG 3.45Å; V479-L483 PolarHBondContact O-N 2.87Å; Y480-L483 PolarHBondContact O-N 3.07Å; L483-L486 PolarHBondContact O-N 3.24Å; L483-D487 WeakPolarHBondContact O-CB 3.5Å; L483-D487 PolarHBondContact O-N 3.5Å; L483-L496 HydrophobicContact CD2-CD1 4.16Å; L483-T500 HydrophobicContact CB-CG2 4.35Å; L483-F600 HydrophobicContact CD1-CE2 3.89Å; L483-F600 HydrophobicContact CD1-CZ 3.83Å; L483-F600 HydrophobicContact CD2-CE2 4.43Å
484	I	83.8	Confident	78.6	Confident	39 Å²	39	41.1 Å²	41.1	20%	0.2	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-49.2	172.8	-70.7	168.1	0	0	0	110.9	Y480 N481 F482 L486 D487 Q488 T500	Y480-I484 HydrophobicContact CD1-CD1 3.82Å; Y480-I484 HydrophobicContact CE1-CD1 3.48Å; Y480-I484 VanDerWaalsContact CE1-CD1 3.48Å; Y480-I484 HydrophobicContact CE2-CD1 4.22Å; Y480-I484 HydrophobicContact CE2-CG1 4.48Å; Y480-I484 HydrophobicContact CG-CD1 4.35Å; Y480-I484 WeakPolarHBondContact O-CG1 3.45Å; Y480-I484 PolarHBondContact O-N 2.6Å; N481-I484 PolarHBondContact O-N 2.83Å; F482-I484 VanDerWaalsContact C-N 3.34Å; F482-I484 PolarHBondContact O-N 2.7Å; I484-L486 PolarHBondContact O-N 2.9Å; I484-D487 PolarHBondContact O-N 3.33Å; I484-Q488 HydrophobicContact CG2-CG 4.38Å; I484-Q488 WeakPolarHBondContact O-CB 3.49Å; I484-Q488 VanDerWaalsContact O-CG 3.27Å; I484-Q488 WeakPolarHBondContact O-CG 3.4Å; I484-Q488 PolarHBondContact O-N 3.37Å; I484-T500 HydrophobicContact CG1-CG2 4.39Å
485	C	85.1	Confident	79.4	Confident	23 Å²	23	39 Å²	39	16%	0.155	22%	0.216	C	C	.	.	H	α-helix	trans	-62.8	-32.8	178.1	-66.4	0	0	0	0	112.2	Y332 L351 N481 F482 G489	Y332-C485 HydrophobicContact CD2-CB 4.25Å; L351-C485 HydrophobicContact CD2-CB 4.24Å; N481-C485 PolarHBondContact O-N 2.94Å; N481-C485 PolarHBondContact O-SG 3.3Å; F482-C485 PolarHBondContact O-N 3.45Å; C485-G489 PolarHBondContact O-N 3.16Å
486	L	85.8	Confident	79.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-68.7	-49.2	175.1	-169.7	62.8	0	0	0	111.8	L351 L358 M439 V445 F482 L483 I484 Q488 G489 L490 L496	L351-L486 HydrophobicContact CD1-CD1 3.97Å; L351-L486 HydrophobicContact CD2-CB 4.47Å; L351-L486 HydrophobicContact CD2-CD1 4.21Å; L358-L486 HydrophobicContact CD2-CD1 4.07Å; M439-L486 HydrophobicContact CE-CD1 3.85Å; M439-L486 HydrophobicContact CE-CD2 4.27Å; M439-L486 HydrophobicContact CE-CG 4.38Å; M439-L486 HydrophobicContact CG-CD1 4.21Å; M439-L486 HydrophobicContact SD-CD1 3.99Å; V445-L486 HydrophobicContact CG2-CD2 4.31Å; F482-L486 HydrophobicContact CE1-CD2 3.99Å; F482-L486 HydrophobicContact CZ-CD1 4.49Å; F482-L486 HydrophobicContact CZ-CD2 4.1Å; F482-L486 WeakPolarHBondContact O-CB 3.25Å; F482-L486 PolarHBondContact O-N 2.9Å; L483-L486 PolarHBondContact O-N 3.24Å; I484-L486 PolarHBondContact O-N 2.9Å; L486-Q488 VanDerWaalsContact C-N 3.34Å; L486-Q488 PolarHBondContact O-N 3.12Å; L486-G489 PolarHBondContact O-N 3.41Å; L486-G489 VanDerWaalsContact O-N 3.17Å; L486-L490 HydrophobicContact CG-CD1 4.32Å; L486-L490 VanDerWaalsContact O-CG 3.28Å; L486-L490 WeakPolarHBondContact O-CG 3.33Å; L486-L490 PolarHBondContact O-N 2.96Å; L486-L496 HydrophobicContact CD2-CD1 4.29Å; L486-L496 HydrophobicContact CD2-CD2 4.44Å; L486-L496 HydrophobicContact CG-CD1 4.5Å
487	D	85.2	Confident	79.8	Confident	13 Å²	13	40.8 Å²	40.8	7%	0.07	22%	0.221	C	C	.	.	H	α-helix	trans	-62.1	-41.9	177.8	-152.7	16.5	0	0	0	110.6	L483 I484 G489 L490 Q491 L496 T500	L483-D487 WeakPolarHBondContact O-CB 3.5Å; L483-D487 PolarHBondContact O-N 3.5Å; I484-D487 PolarHBondContact O-N 3.33Å; D487-G489 PolarHBondContact O-N 2.98Å; D487-L490 PolarHBondContact O-N 3.33Å; D487-Q491 WeakPolarHBondContact O-CG 3.37Å; D487-Q491 PolarHBondContact O-N 2.9Å; D487-L496 HydrophobicContact CB-CD1 4.11Å; D487-L496 HydrophobicContact CB-CG 4.31Å; D487-L496 PolarHBondContact OD1-N 3.14Å; D487-T500 HydrophobicContact CB-CG2 3.89Å; D487-T500 WeakPolarHBondContact OD2-CB 3.5Å; D487-T500 WeakPolarHBondContact OD2-CG2 3.31Å; D487-T500 PolarHBondContact OD2-N 3.22Å; D487-T500 VanDerWaalsContact OD2-N 3.12Å; D487-T500 PolarHBondContact OD2-OG1 3.47Å
488	Q	83.5	Confident	79.5	Confident	129 Å²	129	38.6 Å²	38.6	60%	0.603	21%	0.212	S	C	*	.	H	α-helix	trans	-63	-38.8	172.8	-73	176.2	-0.8	0	0	113.2	I484 L486 L490	I484-Q488 HydrophobicContact CG2-CG 4.38Å; I484-Q488 WeakPolarHBondContact O-CB 3.49Å; I484-Q488 VanDerWaalsContact O-CG 3.27Å; I484-Q488 WeakPolarHBondContact O-CG 3.4Å; I484-Q488 PolarHBondContact O-N 3.37Å; L486-Q488 VanDerWaalsContact C-N 3.34Å; L486-Q488 PolarHBondContact O-N 3.12Å; Q488-L490 VanDerWaalsContact C-N 3.34Å
489	G	80.9	Confident	78.8	Confident	15 Å²	15	39.4 Å²	39.4	16%	0.155	22%	0.218	C	C	.	.	H	α-helix	trans	-73.1	-23.3	178.6	0	0	0	0	0	114.3	C485 L486 D487	C485-G489 PolarHBondContact O-N 3.16Å; L486-G489 PolarHBondContact O-N 3.41Å; L486-G489 VanDerWaalsContact O-N 3.17Å; D487-G489 PolarHBondContact O-N 2.98Å
490	L	82.4	Confident	77.9	Confident	13 Å²	13	40.2 Å²	40.2	7%	0.068	22%	0.222	C	C	.	.	H	α-helix	trans	-81.1	-28.6	177.6	-73.1	168.8	0	0	0	112.4	L358 M439 L486 D487 Q488 N493 A494 L496 V602	L358-L490 HydrophobicContact CD2-CD2 3.87Å; L358-L490 HydrophobicContact CD2-CG 3.91Å; M439-L490 HydrophobicContact CB-CD2 4.25Å; M439-L490 HydrophobicContact CE-CD2 4.47Å; L486-L490 HydrophobicContact CG-CD1 4.32Å; L486-L490 VanDerWaalsContact O-CG 3.28Å; L486-L490 WeakPolarHBondContact O-CG 3.33Å; L486-L490 PolarHBondContact O-N 2.96Å; D487-L490 PolarHBondContact O-N 3.33Å; Q488-L490 VanDerWaalsContact C-N 3.34Å; L490-N493 PolarHBondContact O-N 3.21Å; L490-A494 CarbonylContact C-O 3.56Å; L490-A494 HydrophobicContact CB-CB 4.08Å; L490-A494 WeakPolarHBondContact CB-O 3.06Å; L490-A494 HydrophobicContact CD2-CB 4.16Å; L490-A494 PolarHBondContact O-N 3.37Å; L490-L496 HydrophobicContact CD1-CD2 3.88Å; L490-L496 HydrophobicContact CD1-CG 4.13Å; L490-V602 HydrophobicContact CD1-CG1 4.22Å; L490-V602 HydrophobicContact CD2-CG1 4.28Å
491	Q	76.1	Confident	76.8	Confident	103 Å²	103	42.3 Å²	42.3	48%	0.481	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	142.7	178.3	-71.1	-69.8	-36.4	0	0	112.1	D487 A494	D487-Q491 WeakPolarHBondContact O-CG 3.37Å; D487-Q491 PolarHBondContact O-N 2.9Å; Q491-A494 PolarHBondContact N-O 3.11Å; Q491-A494 PolarHBondContact NE2-O 3.3Å
492	P	65.8	Low	75.5	Confident	96 Å²	96	44 Å²	44	62%	0.623	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.6	-1.9	1.7	36.5	-36.3	0	0	0	114.1
493	N	69.3	Low	74	Confident	101 Å²	101	45.7 Å²	45.7	54%	0.54	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-23	-167.3	-62.7	-23	0	0	0	113.4	L490 F605	L490-N493 PolarHBondContact O-N 3.21Å; N493-F605 PolarHBondContact O-N 3.35Å
494	A	75.9	Confident	72.3	Confident	2 Å²	2	48.5 Å²	48.5	2%	0.017	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	166.6	176.5	0	0	0	0	0	111.9	L490 Q491 V602 M603 H604	L490-A494 CarbonylContact C-O 3.56Å; L490-A494 HydrophobicContact CB-CB 4.08Å; L490-A494 WeakPolarHBondContact CB-O 3.06Å; L490-A494 HydrophobicContact CD2-CB 4.16Å; L490-A494 PolarHBondContact O-N 3.37Å; Q491-A494 PolarHBondContact N-O 3.11Å; Q491-A494 PolarHBondContact NE2-O 3.3Å; A494-V602 HydrophobicContact CB-CG1 4.22Å; A494-M603 CarbonylContact C-O 3.57Å; A494-M603 WeakPolarHBondContact CA-O 3.44Å; A494-M603 WeakPolarHBondContact CB-O 3.22Å; A494-H604 HydrophobicContact CB-CB 4.49Å
495	C	81.9	Confident	70.6	Confident	20 Å²	20	52.3 Å²	52.3	14%	0.135	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	162.5	167.3	70.8	0	0	0	0	111.9	M603 F605	C495-M603 PolarHBondContact N-O 3.17Å; C495-M603 PolarHBondContact O-N 2.69Å; C495-F605 HydrophobicContact CB-CE2 3.95Å; C495-F605 HydrophobicContact CB-CZ 4.26Å; C495-F605 VanDerWaalsContact SG-CZ 3.52Å
496	L	80.1	Confident	68.7	Low	1 Å²	1	54.5 Å²	54.5	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	140.9	163.2	-60.2	178.1	0	0	0	109.9	V445 L483 L486 D487 L490 P498 S499 F600 V602	V445-L496 HydrophobicContact CG2-CD2 4.48Å; L483-L496 HydrophobicContact CD2-CD1 4.16Å; L486-L496 HydrophobicContact CD2-CD1 4.29Å; L486-L496 HydrophobicContact CD2-CD2 4.44Å; L486-L496 HydrophobicContact CG-CD1 4.5Å; D487-L496 HydrophobicContact CB-CD1 4.11Å; D487-L496 HydrophobicContact CB-CG 4.31Å; D487-L496 PolarHBondContact OD1-N 3.14Å; L490-L496 HydrophobicContact CD1-CD2 3.88Å; L490-L496 HydrophobicContact CD1-CG 4.13Å; L496-P498 CarbonylContact C-O 3.56Å; L496-P498 CarbonylContact O-C 3.4Å; L496-S499 VanDerWaalsContact O-CA 3.23Å; L496-S499 WeakPolarHBondContact O-CA 3.41Å; L496-S499 PolarHBondContact O-N 3.03Å; L496-F600 HydrophobicContact CD2-CB 4.41Å; L496-V602 HydrophobicContact CD2-CG2 4.19Å
497	N	73.5	Confident	66.8	Low	77 Å²	77	56.9 Å²	56.9	41%	0.412	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	118.6	173.2	-178	10.6	0	0	0	109.6	F600 K601 M603	N497-F600 WeakPolarHBondContact O-CA 3.38Å; N497-K601 PolarHBondContact N-O 3.32Å; N497-K601 PolarHBondContact O-N 3.14Å; N497-M603 HydrophobicContact CB-CG 3.62Å
498	P	68	Low	64.8	Low	58 Å²	58	62.7 Å²	62.7	38%	0.377	34%	0.335	S	S	.	.	S	Bend	cis	-65.6	150.4	-0.4	29	-36.1	0	0	0	112.8	L496 F600	L496-P498 CarbonylContact C-O 3.56Å; L496-P498 CarbonylContact O-C 3.4Å; P498-F600 HydrophobicContact CG-CD1 4.29Å; P498-F600 HydrophobicContact CG-CE1 4.28Å
499	S	63.5	Low	63	Low	25 Å²	25	64.6 Å²	64.6	18%	0.175	34%	0.341	C	S	.	.			trans	-77.5	149.7	-175.3	69.1	0	0	0	0	112.4	L496 T501 E502	L496-S499 VanDerWaalsContact O-CA 3.23Å; L496-S499 WeakPolarHBondContact O-CA 3.41Å; L496-S499 PolarHBondContact O-N 3.03Å; S499-T501 VanDerWaalsContact C-N 3.28Å; S499-T501 PolarHBondContact O-N 3.46Å; S499-E502 PolarHBondContact N-OE2 2.9Å; S499-E502 VanDerWaalsContact N-OE2 3.12Å; S499-E502 PolarHBondContact O-N 3.46Å; S499-E502 VanDerWaalsContact OG-CD 3.27Å; S499-E502 VanDerWaalsContact OG-CG 3.25Å; S499-E502 WeakPolarHBondContact OG-CG 3.29Å; S499-E502 PolarHBondContact OG-OE2 3.33Å
500	T	63.2	Low	60.9	Low	16 Å²	16	68.8 Å²	68.8	10%	0.098	36%	0.36	C	S	.	.	H	α-helix	trans	-61.9	-37.1	-178.9	55.7	0	0	0	0	112.2	L483 I484 D487 E502 L503	L483-T500 HydrophobicContact CB-CG2 4.35Å; I484-T500 HydrophobicContact CG1-CG2 4.39Å; D487-T500 HydrophobicContact CB-CG2 3.89Å; D487-T500 WeakPolarHBondContact OD2-CB 3.5Å; D487-T500 WeakPolarHBondContact OD2-CG2 3.31Å; D487-T500 PolarHBondContact OD2-N 3.22Å; D487-T500 VanDerWaalsContact OD2-N 3.12Å; D487-T500 PolarHBondContact OD2-OG1 3.47Å; T500-E502 VanDerWaalsContact C-N 3.32Å; T500-E502 PolarHBondContact O-N 3.4Å; T500-L503 WeakPolarHBondContact O-CB 3.44Å; T500-L503 PolarHBondContact O-N 3.01Å; T500-L503 VanDerWaalsContact O-N 3.09Å
501	T	56.1	Low	59	Low	75 Å²	75	75 Å²	75	46%	0.46	39%	0.389	S	S	.	.	H	α-helix	trans	-72.2	-16	178.8	65.7	0	0	0	0	115.3	S499 L503 K505	S499-T501 VanDerWaalsContact C-N 3.28Å; S499-T501 PolarHBondContact O-N 3.46Å; T501-L503 VanDerWaalsContact C-N 3.28Å; T501-K505 WeakPolarHBondContact O-CG 3.42Å; T501-K505 PolarHBondContact O-N 2.98Å
502	E	55	Low	57.5	Low	106 Å²	106	76.5 Å²	76.5	50%	0.495	40%	0.404	S	S	.	.	H	α-helix	trans	-73.9	-24.6	169.6	-77.4	168.5	126.6	0	0	111.7	S499 T500	S499-E502 PolarHBondContact N-OE2 2.9Å; S499-E502 VanDerWaalsContact N-OE2 3.12Å; S499-E502 PolarHBondContact O-N 3.46Å; S499-E502 VanDerWaalsContact OG-CD 3.27Å; S499-E502 VanDerWaalsContact OG-CG 3.25Å; S499-E502 WeakPolarHBondContact OG-CG 3.29Å; S499-E502 PolarHBondContact OG-OE2 3.33Å; T500-E502 VanDerWaalsContact C-N 3.32Å; T500-E502 PolarHBondContact O-N 3.4Å
503	L	53.6	Low	56.2	Low	38 Å²	38	80.5 Å²	80.5	20%	0.199	41%	0.412	C	S	.	.	H	α-helix	trans	-68.1	-46.5	174.2	-136.2	73.5	0	0	0	111.3	Y480 T500 T501 K505 V506 I507 F527	Y480-L503 HydrophobicContact CD2-CD2 4.24Å; Y480-L503 HydrophobicContact CE2-CD2 3.61Å; T500-L503 WeakPolarHBondContact O-CB 3.44Å; T500-L503 PolarHBondContact O-N 3.01Å; T500-L503 VanDerWaalsContact O-N 3.09Å; T501-L503 VanDerWaalsContact C-N 3.28Å; L503-K505 PolarHBondContact O-N 2.94Å; L503-V506 PolarHBondContact O-N 3.48Å; L503-I507 WeakPolarHBondContact O-CG1 3.31Å; L503-I507 PolarHBondContact O-N 3.29Å; L503-F527 HydrophobicContact CD1-CD2 3.99Å; L503-F527 HydrophobicContact CD1-CE2 3.82Å; L503-F527 HydrophobicContact CD2-CD2 3.84Å; L503-F527 HydrophobicContact CD2-CE2 3.81Å; L503-F527 HydrophobicContact CG-CD2 4.29Å; L503-F527 HydrophobicContact CG-CE2 4.39Å
504	D	50.1	Low	54.4	Low	69 Å²	69	78.7 Å²	78.7	37%	0.369	42%	0.417	S	S	.	.	H	α-helix	trans	-63.8	-40.4	179.5	-73.5	-32.7	0	0	0	112.9	Y480 V506 I507 E508	Y480-D504 PolarHBondContact OH-OD1 3.45Å; D504-V506 PolarHBondContact O-N 3.17Å; D504-V506 VanDerWaalsContact O-N 3.12Å; D504-I507 WeakPolarHBondContact O-CA 3.37Å; D504-I507 WeakPolarHBondContact O-CB 3.31Å; D504-I507 PolarHBondContact O-N 2.98Å; D504-E508 PolarHBondContact O-N 2.96Å
505	K	47.3	Very low	52.5	Low	119 Å²	119	84.8 Å²	84.8	52%	0.517	45%	0.454	S	S	.	.	H	α-helix	trans	-63.3	-19.7	178.5	-73	170.1	-174.2	159.4	0	113.8	T501 L503 K509	T501-K505 WeakPolarHBondContact O-CG 3.42Å; T501-K505 PolarHBondContact O-N 2.98Å; L503-K505 PolarHBondContact O-N 2.94Å; K505-K509 WeakPolarHBondContact O-CG 3.2Å
506	V	45.9	Very low	50.1	Low	68 Å²	68	96 Å²	96	41%	0.412	49%	0.494	S	S	.	.	H	α-helix	trans	-86.9	-30.6	172.5	175.5	0	0	0	0	110.9	L503 D504 L530	L503-V506 PolarHBondContact O-N 3.48Å; D504-V506 PolarHBondContact O-N 3.17Å; D504-V506 VanDerWaalsContact O-N 3.12Å; V506-L530 HydrophobicContact CG1-CD1 3.8Å; V506-L530 HydrophobicContact CG1-CD2 4.23Å
507	I	45.3	Very low	47.7	Very low	50 Å²	50	99.5 Å²	99.5	26%	0.256	52%	0.518	S	S	.	.	H	α-helix	trans	-71.5	-39.7	176.6	-66.3	167.4	0	0	0	111.6	L503 D504 Q511	L503-I507 WeakPolarHBondContact O-CG1 3.31Å; L503-I507 PolarHBondContact O-N 3.29Å; D504-I507 WeakPolarHBondContact O-CA 3.37Å; D504-I507 WeakPolarHBondContact O-CB 3.31Å; D504-I507 PolarHBondContact O-N 2.98Å; I507-Q511 WeakPolarHBondContact O-CG 3.49Å
508	E	43.7	Very low	45.9	Very low	136 Å²	136	101 Å²	101	64%	0.636	53%	0.527	S	S	*	.	H	α-helix	trans	-70.7	-40.3	-178.2	-72.8	-169.1	136.1	0	0	114.1	D504 D510 Q511	D504-E508 PolarHBondContact O-N 2.96Å; E508-D510 PolarHBondContact O-N 3.36Å; E508-D510 VanDerWaalsContact O-N 3.13Å; E508-Q511 PolarHBondContact O-N 3.26Å; E508-Q511 VanDerWaalsContact O-N 3.1Å
509	K	45.1	Very low	44.4	Very low	168 Å²	168	105.8 Å²	105.8	73%	0.73	54%	0.544	S	S	*	.	H	α-helix	trans	-64.1	-23.3	-169.6	-78.4	179.5	178.7	177.7	0	114.8	K505	K505-K509 WeakPolarHBondContact O-CG 3.2Å
510	D	38.3	Very low	43.1	Very low	103 Å²	103	111.2 Å²	111.2	55%	0.551	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-1.7	178.1	-78.5	-27.9	0	0	0	114.4	E508 V512 K513	E508-D510 PolarHBondContact O-N 3.36Å; E508-D510 VanDerWaalsContact O-N 3.13Å; D510-V512 PolarHBondContact O-N 2.88Å; D510-V512 VanDerWaalsContact O-N 3.17Å; D510-K513 PolarHBondContact O-N 3.12Å
511	Q	42.6	Very low	42.1	Very low	145 Å²	145	116.8 Å²	116.8	68%	0.678	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-14	175.4	-64.5	-166.8	22.2	0	0	113.4	I507 E508 K513	I507-Q511 WeakPolarHBondContact O-CG 3.49Å; E508-Q511 PolarHBondContact O-N 3.26Å; E508-Q511 VanDerWaalsContact O-N 3.1Å; Q511-K513 PolarHBondContact O-N 3.44Å
512	V	43	Very low	41.2	Very low	133 Å²	133	116.6 Å²	116.6	81%	0.806	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-7.6	176.6	-172.9	0	0	0	0	112.3	D510	D510-V512 PolarHBondContact O-N 2.88Å; D510-V512 VanDerWaalsContact O-N 3.17Å
513	K	39.3	Very low	40.7	Very low	180 Å²	180	115 Å²	115	78%	0.783	58%	0.583	S	S	*	*	S	Bend	trans	-132.5	105.5	179.9	-67.9	-179.3	-179.6	175.8	0	113.5	D510 Q511	D510-K513 PolarHBondContact O-N 3.12Å; Q511-K513 PolarHBondContact O-N 3.44Å
514	G	31.7	Very low	40.1	Very low	63 Å²	63	116.7 Å²	116.7	65%	0.649	59%	0.589	S	S	*	*			trans	99.3	104.6	148.8	0	0	0	0	0	118.4
515	T	35.4	Very low	39.8	Very low	130 Å²	130	116.1 Å²	116.1	80%	0.798	59%	0.59	S	S	*	*			trans	52.2	121.3	144.1	29.5	0	0	0	0	121.5	S517 K522	T515-S517 PolarHBondContact O-N 2.93Å; T515-K522 PolarHBondContact O-NZ 3.19Å
516	R	30.8	Very low	39.6	Very low	255 Å²	255	115.1 Å²	115.1	96%	0.962	59%	0.585	S	S	*	*			trans	-59.4	116.5	171.3	-71.8	173.5	167.8	166.4	-5.5	112.3
517	S	30.4	Very low	39.7	Very low	75 Å²	75	113 Å²	113	52%	0.524	57%	0.571	S	S	.	*			trans	-172.5	134.8	160.5	50.4	0	0	0	0	109.8	T515 K522	T515-S517 PolarHBondContact O-N 2.93Å; S517-K522 WeakPolarHBondContact O-CD 3.48Å; S517-K522 VanDerWaalsContact O-CE 3.23Å; S517-K522 WeakPolarHBondContact O-CE 3.43Å; S517-K522 PolarHBondContact O-NZ 3.09Å; S517-K522 PolarHBondContact OG-NZ 3.29Å
518	N	35.8	Very low	39.9	Very low	109 Å²	109	111.8 Å²	111.8	58%	0.583	56%	0.563	S	S	*	*			trans	34.7	83.8	171.2	-64.6	3.6	0	0	0	117.9	N520 Q521 K522	N518-N520 PolarHBondContact O-N 3.32Å; N518-Q521 HydrophobicContact CB-CB 4.43Å; N518-Q521 PolarHBondContact ND2-OE1 3.14Å; N518-Q521 VanDerWaalsContact ND2-OE1 3.13Å; N518-Q521 PolarHBondContact O-N 2.87Å; N518-K522 PolarHBondContact O-N 2.82Å
519	E	36.6	Very low	39.8	Very low	158 Å²	158	109.7 Å²	109.7	74%	0.738	56%	0.556	S	S	*	*	H	α-helix	trans	-58.8	-44.1	177	-66.4	171.9	164.3	0	0	112.7	Q521 K522 I523	E519-Q521 VanDerWaalsContact C-N 3.34Å; E519-Q521 PolarHBondContact O-N 3.47Å; E519-K522 PolarHBondContact O-N 2.86Å; E519-I523 PolarHBondContact O-N 3.39Å; E519-I523 VanDerWaalsContact O-N 3.17Å
520	N	37.1	Very low	39.8	Very low	140 Å²	140	105.8 Å²	105.8	75%	0.749	54%	0.543	S	S	*	.	H	α-helix	trans	-65.4	-29.2	-176.2	-69.8	-16.2	0	0	0	114.7	N518	N518-N520 PolarHBondContact O-N 3.32Å
521	Q	41.7	Very low	40	Very low	132 Å²	132	104 Å²	104	62%	0.617	53%	0.532	S	S	*	.	H	α-helix	trans	-81.7	-34.7	174.8	-79.7	174.4	-33.7	0	0	111.8	N518 E519 I523 S525	N518-Q521 HydrophobicContact CB-CB 4.43Å; N518-Q521 PolarHBondContact ND2-OE1 3.14Å; N518-Q521 VanDerWaalsContact ND2-OE1 3.13Å; N518-Q521 PolarHBondContact O-N 2.87Å; E519-Q521 VanDerWaalsContact C-N 3.34Å; E519-Q521 PolarHBondContact O-N 3.47Å; Q521-I523 PolarHBondContact O-N 3.16Å; Q521-S525 PolarHBondContact O-N 2.88Å; Q521-S525 VanDerWaalsContact O-N 3.13Å; Q521-S525 PolarHBondContact O-OG 2.93Å
522	K	36.4	Very low	39.9	Very low	72 Å²	72	100 Å²	100	31%	0.313	52%	0.516	S	S	.	.	H	α-helix	trans	-65.6	-35.4	178.3	-79.4	173.5	175.1	161.4	0	112.7	T515 S517 N518 E519 S525 K526	T515-K522 PolarHBondContact O-NZ 3.19Å; S517-K522 WeakPolarHBondContact O-CD 3.48Å; S517-K522 VanDerWaalsContact O-CE 3.23Å; S517-K522 WeakPolarHBondContact O-CE 3.43Å; S517-K522 PolarHBondContact O-NZ 3.09Å; S517-K522 PolarHBondContact OG-NZ 3.29Å; N518-K522 PolarHBondContact O-N 2.82Å; E519-K522 PolarHBondContact O-N 2.86Å; K522-S525 PolarHBondContact O-OG 3.37Å; K522-K526 VanDerWaalsContact O-CB 3.25Å; K522-K526 WeakPolarHBondContact O-CB 3.42Å; K522-K526 WeakPolarHBondContact O-CD 3.27Å; K522-K526 WeakPolarHBondContact O-CG 3.17Å; K522-K526 PolarHBondContact O-N 2.85Å; K522-K526 VanDerWaalsContact O-N 3.11Å
523	I	45.8	Very low	39.5	Very low	73 Å²	73	101.6 Å²	101.6	37%	0.374	51%	0.512	S	S	.	.	H	α-helix	trans	-68.1	-48.2	177.8	-63	164.6	0	0	0	110.8	F476 E519 Q521 S525 K526 F527	F476-I523 HydrophobicContact CD1-CG2 4.13Å; F476-I523 HydrophobicContact CE1-CG2 3.92Å; E519-I523 PolarHBondContact O-N 3.39Å; E519-I523 VanDerWaalsContact O-N 3.17Å; Q521-I523 PolarHBondContact O-N 3.16Å; I523-S525 PolarHBondContact O-N 3.3Å; I523-K526 PolarHBondContact O-N 3.13Å; I523-F527 PolarHBondContact O-N 2.9Å; I523-F527 VanDerWaalsContact O-N 3.11Å
524	K	40.1	Very low	39.4	Very low	73 Å²	73	103 Å²	103	32%	0.317	51%	0.513	S	S	.	.	H	α-helix	trans	-59.1	-45.5	178	-87.5	-164.7	173.2	-162.3	0	113.1	Y455 F476	Y455-K524 VanDerWaalsContact OH-CE 3.28Å; Y455-K524 WeakPolarHBondContact OH-CE 3.14Å; F476-K524 HydrophobicContact CB-CG 4.2Å
525	S	43.2	Very low	39.5	Very low	56 Å²	56	103.6 Å²	103.6	39%	0.392	51%	0.507	S	S	.	.	H	α-helix	trans	-70.8	-37.8	-179.5	62.1	0	0	0	0	112.2	Q521 K522 I523 N529	Q521-S525 PolarHBondContact O-N 2.88Å; Q521-S525 VanDerWaalsContact O-N 3.13Å; Q521-S525 PolarHBondContact O-OG 2.93Å; K522-S525 PolarHBondContact O-OG 3.37Å; I523-S525 PolarHBondContact O-N 3.3Å; S525-N529 WeakPolarHBondContact O-CB 3.4Å; S525-N529 PolarHBondContact O-N 3.47Å; S525-N529 PolarHBondContact O-ND2 3.09Å; S525-N529 PolarHBondContact O-OD1 3.11Å
526	K	43.9	Very low	39.4	Very low	98 Å²	98	105.5 Å²	105.5	43%	0.426	50%	0.504	S	S	.	.	H	α-helix	trans	-66.2	-40.8	179	-74	174.7	-179.3	-164.6	0	113.2	K522 I523 N529 L530	K522-K526 VanDerWaalsContact O-CB 3.25Å; K522-K526 WeakPolarHBondContact O-CB 3.42Å; K522-K526 WeakPolarHBondContact O-CD 3.27Å; K522-K526 WeakPolarHBondContact O-CG 3.17Å; K522-K526 PolarHBondContact O-N 2.85Å; K522-K526 VanDerWaalsContact O-N 3.11Å; I523-K526 PolarHBondContact O-N 3.13Å; K526-N529 PolarHBondContact O-N 3.48Å; K526-L530 WeakPolarHBondContact O-CB 3.5Å; K526-L530 PolarHBondContact O-N 3.02Å
527	F	48.2	Very low	39.6	Very low	23 Å²	23	97.9 Å²	97.9	10%	0.101	49%	0.486	C	S	.	.	H	α-helix	trans	-60.5	-50.6	177.8	-177.8	-101.9	0	0	0	111.9	F476 L503 I523 L530 I531 V598	F476-F527 AromaticContact CE2-CD1 3.87Å; F476-F527 HydrophobicContact CE2-CD1 3.87Å; F476-F527 HydrophobicContact CE2-CD2 4.34Å; F476-F527 HydrophobicContact CE2-CE1 4Å; F476-F527 HydrophobicContact CE2-CE2 4.45Å; F476-F527 HydrophobicContact CE2-CG 4.04Å; F476-F527 HydrophobicContact CE2-CZ 4.29Å; F476-F527 HydrophobicContact CZ-CB 4.39Å; F476-F527 HydrophobicContact CZ-CD1 4.29Å; F476-F527 HydrophobicContact CZ-CD2 4Å; F476-F527 HydrophobicContact CZ-CE2 4.31Å; F476-F527 AromaticContact CZ-CG 3.98Å; F476-F527 HydrophobicContact CZ-CG 3.98Å; L503-F527 HydrophobicContact CD1-CD2 3.99Å; L503-F527 HydrophobicContact CD1-CE2 3.82Å; L503-F527 HydrophobicContact CD2-CD2 3.84Å; L503-F527 HydrophobicContact CD2-CE2 3.81Å; L503-F527 HydrophobicContact CG-CD2 4.29Å; L503-F527 HydrophobicContact CG-CE2 4.39Å; I523-F527 PolarHBondContact O-N 2.9Å; I523-F527 VanDerWaalsContact O-N 3.11Å; F527-L530 WeakPolarHBondContact O-CB 3.38Å; F527-L530 PolarHBondContact O-N 2.92Å; F527-I531 HydrophobicContact CD1-CD1 4.08Å; F527-I531 HydrophobicContact CE1-CD1 3.81Å; F527-I531 HydrophobicContact CZ-CD1 4.19Å; F527-I531 PolarHBondContact O-N 3.22Å; F527-V598 HydrophobicContact CE1-CG2 3.83Å; F527-V598 HydrophobicContact CZ-CG2 3.9Å
528	W	49.6	Very low	39.7	Very low	25 Å²	25	101 Å²	101	10%	0.095	50%	0.497	C	S	.	.	H	α-helix	trans	-70.9	-35	178.2	-69.7	123.8	0	0	0	113.4	Q449 Y455 L530 I531 D532 K596 V598	Q449-W528 HydrophobicContact CB-CH2 4.48Å; Q449-W528 HydrophobicContact CB-CZ2 3.88Å; Q449-W528 VanDerWaalsContact OE1-CE2 3.3Å; Y455-W528 HydrophobicContact CE1-CZ2 4.33Å; W528-L530 VanDerWaalsContact C-N 3.3Å; W528-L530 PolarHBondContact O-N 3.33Å; W528-I531 HydrophobicContact CE3-CD1 3.58Å; W528-I531 HydrophobicContact CZ3-CD1 3.76Å; W528-I531 PolarHBondContact O-N 2.67Å; W528-D532 PolarHBondContact O-N 3.17Å; W528-K596 HydrophobicContact CD2-CD 4.11Å; W528-K596 HydrophobicContact CE3-CB 4.01Å; W528-K596 HydrophobicContact CE3-CD 3.82Å; W528-K596 HydrophobicContact CH2-CB 3.63Å; W528-K596 HydrophobicContact CZ2-CB 4.16Å; W528-K596 HydrophobicContact CZ3-CB 3.55Å; W528-K596 HydrophobicContact CZ3-CD 4.25Å; W528-V598 HydrophobicContact CH2-CG2 4.1Å; W528-V598 HydrophobicContact CZ3-CG2 3.86Å
529	N	42	Very low	39.5	Very low	92 Å²	92	103 Å²	103	49%	0.492	51%	0.508	S	S	.	.	H	α-helix	trans	-64.5	-34.4	173.2	-74.1	-5.2	0	0	0	111.5	S525 K526 I531 D532 F533	S525-N529 WeakPolarHBondContact O-CB 3.4Å; S525-N529 PolarHBondContact O-N 3.47Å; S525-N529 PolarHBondContact O-ND2 3.09Å; S525-N529 PolarHBondContact O-OD1 3.11Å; K526-N529 PolarHBondContact O-N 3.48Å; N529-I531 PolarHBondContact O-N 2.98Å; N529-D532 PolarHBondContact O-N 2.88Å; N529-F533 WeakPolarHBondContact O-CB 3.38Å; N529-F533 PolarHBondContact O-N 2.86Å
530	L	43.5	Very low	39.2	Very low	86 Å²	86	101.4 Å²	101.4	45%	0.45	51%	0.509	S	S	.	.	H	α-helix	trans	-63.6	-32.9	176.5	-155.2	78.6	0	0	0	112.3	V506 K526 F527 W528	V506-L530 HydrophobicContact CG1-CD1 3.8Å; V506-L530 HydrophobicContact CG1-CD2 4.23Å; K526-L530 WeakPolarHBondContact O-CB 3.5Å; K526-L530 PolarHBondContact O-N 3.02Å; F527-L530 WeakPolarHBondContact O-CB 3.38Å; F527-L530 PolarHBondContact O-N 2.92Å; W528-L530 VanDerWaalsContact C-N 3.3Å; W528-L530 PolarHBondContact O-N 3.33Å
531	I	43.9	Very low	39	Very low	65 Å²	65	104 Å²	104	33%	0.333	51%	0.513	S	S	.	.	H	α-helix	trans	-76	-45.8	176.8	-63.8	159.8	0	0	0	110.3	F527 W528 N529 V598	F527-I531 HydrophobicContact CD1-CD1 4.08Å; F527-I531 HydrophobicContact CE1-CD1 3.81Å; F527-I531 HydrophobicContact CZ-CD1 4.19Å; F527-I531 PolarHBondContact O-N 3.22Å; W528-I531 HydrophobicContact CE3-CD1 3.58Å; W528-I531 HydrophobicContact CZ3-CD1 3.76Å; W528-I531 PolarHBondContact O-N 2.67Å; N529-I531 PolarHBondContact O-N 2.98Å; I531-V598 HydrophobicContact CD1-CG2 3.5Å
532	D	40.6	Very low	38.5	Very low	61 Å²	61	104 Å²	104	33%	0.326	52%	0.518	S	S	.	.	H	α-helix	trans	-68.8	-32.4	177.5	-73.4	-13.4	0	0	0	113.1	W528 N529 S535 K596	W528-D532 PolarHBondContact O-N 3.17Å; N529-D532 PolarHBondContact O-N 2.88Å; D532-S535 PolarHBondContact O-N 3.38Å; D532-S535 PolarHBondContact O-OG 3.2Å; D532-K596 IonicContact OD1-NZ 2.71Å; D532-K596 PolarHBondContact OD1-NZ 2.72Å; D532-K596 IonicContact OD2-NZ 3.31Å; D532-K596 PolarHBondContact OD2-NZ 3.29Å
533	F	33.7	Very low	38.5	Very low	167 Å²	167	106.7 Å²	106.7	73%	0.732	54%	0.535	S	S	*	.	H	α-helix	trans	-76.5	-22.9	-176.6	-150.2	-87.5	0	0	0	112.7	N529	N529-F533 WeakPolarHBondContact O-CB 3.38Å; N529-F533 PolarHBondContact O-N 2.86Å
534	R	36.6	Very low	38	Very low	210 Å²	210	109.9 Å²	109.9	79%	0.792	55%	0.553	S	S	*	*	H	α-helix	trans	-80.1	-20.1	174.2	-98.6	-176	173.1	-179.3	0.2	113.9	T537	R534-T537 PolarHBondContact O-OG1 3.17Å
535	S	34.6	Very low	38	Very low	76 Å²	76	112.8 Å²	112.8	53%	0.531	57%	0.572	S	S	.	*	H	α-helix	trans	-79.3	-29.4	176.3	66.3	0	0	0	0	113.2	D532 T537	D532-S535 PolarHBondContact O-N 3.38Å; D532-S535 PolarHBondContact O-OG 3.2Å; S535-T537 VanDerWaalsContact C-N 3.31Å; S535-T537 PolarHBondContact O-N 3.39Å
536	K	33.3	Very low	37.7	Very low	170 Å²	170	117.5 Å²	117.5	74%	0.739	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	25.3	-171.9	-66.5	-172.7	174.5	-173.9	0	115.9
537	T	34.2	Very low	37.4	Very low	95 Å²	95	119.6 Å²	119.6	58%	0.583	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.9	5.3	-174	52	0	0	0	0	115.9	R534 S535	R534-T537 PolarHBondContact O-OG1 3.17Å; S535-T537 VanDerWaalsContact C-N 3.31Å; S535-T537 PolarHBondContact O-N 3.39Å
538	N	32.8	Very low	36.8	Very low	141 Å²	141	122 Å²	122	75%	0.754	64%	0.635	S	S	*	*	S	Bend	trans	-120.8	-7.5	-178.3	-76.8	-12.1	0	0	0	116.1	T540	N538-T540 PolarHBondContact O-N 3.22Å
539	D	32.6	Very low	36.1	Very low	151 Å²	151	127.6 Å²	127.6	81%	0.807	67%	0.667	S	S	*	*			trans	-89.5	77.4	-177.7	-66.2	-26.3	0	0	0	112.2
540	T	29.9	Very low	36	Very low	123 Å²	123	130 Å²	130	76%	0.755	68%	0.678	S	S	*	*			trans	-146.4	92.9	163.9	35.8	0	0	0	0	112.1	N538	N538-T540 PolarHBondContact O-N 3.22Å
541	K	32.1	Very low	35.6	Very low	194 Å²	194	129.9 Å²	129.9	84%	0.843	68%	0.684	S	S	*	*			trans	173.8	144.1	149.1	-101.8	155.8	-170.3	178.6	0	110.8
542	N	31.5	Very low	35.4	Very low	134 Å²	134	133.1 Å²	133.1	72%	0.717	70%	0.702	S	S	*	*			trans	71.9	131.9	161.6	-64.4	34.5	0	0	0	115.3
543	D	36.2	Very low	35.4	Very low	127 Å²	127	137.5 Å²	137.5	68%	0.679	72%	0.72	S	S	*	*			cis	-149	149	1.6	-73.5	-43.2	0	0	0	111
544	D	36.5	Very low	35.7	Very low	141 Å²	141	135.7 Å²	135.7	75%	0.754	72%	0.719	S	S	*	*			trans	68.6	146.9	137.4	-60.4	-17.9	0	0	0	126.7
545	D	38.2	Very low	35.9	Very low	133 Å²	133	132.4 Å²	132.4	71%	0.711	72%	0.717	S	S	*	*			trans	77.4	108.1	157.6	-64.9	-12.6	0	0	0	123.8
546	H	38.4	Very low	36.1	Very low	156 Å²	156	133.6 Å²	133.6	72%	0.722	72%	0.721	S	S	*	*			trans	59.2	143.3	140.5	-63.2	-62.7	0	0	0	121.3
547	D	38	Very low	36.3	Very low	142 Å²	142	132 Å²	132	76%	0.759	72%	0.72	S	S	*	*			cis	-163.9	144.9	-9.4	-110.7	-5.7	0	0	0	109.6
548	G	34.5	Very low	36.3	Very low	73 Å²	73	132.9 Å²	132.9	75%	0.753	72%	0.721	S	S	*	*			trans	72	147.5	161.1	0	0	0	0	0	118.9
549	D	36.2	Very low	36.6	Very low	143 Å²	143	135.3 Å²	135.3	77%	0.765	73%	0.725	S	S	*	*			cis	-167	148.4	-8.3	-141.1	0.7	0	0	0	109.7
550	I	38.7	Very low	36.6	Very low	141 Å²	141	135.9 Å²	135.9	72%	0.723	73%	0.728	S	S	*	*			trans	60.8	132.7	149.8	-67.2	162.5	0	0	0	118.2
551	S	35.9	Very low	36.7	Very low	84 Å²	84	133.1 Å²	133.1	59%	0.587	72%	0.724	S	S	*	*			cis	-172.5	151.9	1.7	49.5	0	0	0	0	111.5
552	D	38.9	Very low	36.7	Very low	133 Å²	133	130 Å²	130	71%	0.711	72%	0.722	S	S	*	*			trans	49.1	148.7	139.9	-43.7	-20.3	0	0	0	120.7
553	H	40.8	Very low	36.7	Very low	153 Å²	153	131 Å²	131	71%	0.708	73%	0.727	S	S	*	*			cis	-146.8	131	17.1	-97	-63	0	0	0	107.5
554	D	39	Very low	36.3	Very low	130 Å²	130	130.8 Å²	130.8	70%	0.695	74%	0.735	S	S	*	*				83.8	144.2	86.7	-80.5	-25.7	0	0	0	117.7
555	D	42.3	Very low	36	Very low	141 Å²	141	131.8 Å²	131.8	75%	0.754	74%	0.739	S	S	*	*			trans	75.3	143.3	150	-80.5	-1	0	0	0	123.1
556	V	38.7	Very low	35.7	Very low	101 Å²	101	133.8 Å²	133.8	61%	0.612	74%	0.744	S	S	*	*			cis	-169	149.8	-30.1	91.6	0	0	0	0	110.4
557	N	36.3	Very low	35.3	Very low	135 Å²	135	132 Å²	132	72%	0.722	75%	0.749	S	S	*	*			trans	61.6	161.1	156.3	-76.5	-32.8	0	0	0	120.9
558	N	34.8	Very low	34.9	Very low	114 Å²	114	132.3 Å²	132.3	61%	0.61	75%	0.75	S	S	*	*			cis	180	142.6	-28.1	-161.5	-33.3	0	0	0	107.5
559	K	39.5	Very low	34.8	Very low	192 Å²	192	133 Å²	133	84%	0.835	74%	0.736	S	S	*	*			trans	154.1	134.6	130.9	-83.9	166.2	-177.8	175.7	0	113.8
560	N	31.3	Very low	34.6	Very low	163 Å²	163	132.8 Å²	132.8	87%	0.872	74%	0.735	S	S	*	*			trans	-87.7	164.5	-174.4	-58.2	-43.6	0	0	0	113
561	G	32.8	Very low	34.3	Very low	66 Å²	66	134.3 Å²	134.3	68%	0.68	74%	0.739	S	S	*	*			trans	-166.2	73.4	173.3	0	0	0	0	0	115.4
562	T	33.2	Very low	34.4	Very low	128 Å²	128	135 Å²	135	79%	0.785	74%	0.735	S	S	*	*			trans	49.6	103.7	152.6	53.7	0	0	0	0	119.2
563	N	29.8	Very low	34.1	Very low	156 Å²	156	133 Å²	133	83%	0.834	73%	0.725	S	S	*	*				70.9	123.1	84	-75	-3.7	0	0	0	116.5
564	S	28.2	Very low	33.9	Very low	121 Å²	121	131.2 Å²	131.2	85%	0.846	72%	0.721	S	S	*	*				156.8	19.6	122.3	60.2	0	0	0	0	119.4
565	I	31.1	Very low	33.8	Very low	162 Å²	162	133 Å²	133	83%	0.831	72%	0.722	S	S	*	*			trans	-139.5	94.3	168.9	-49.1	177.7	0	0	0	112.1
566	Q	31	Very low	33.4	Very low	176 Å²	176	132.4 Å²	132.4	82%	0.822	71%	0.713	S	S	*	*			trans	-159.1	69.7	170.3	-117	167.8	23.7	0	0	112.8
567	S	29.3	Very low	33.2	Very low	118 Å²	118	129.9 Å²	129.9	83%	0.825	70%	0.699	S	S	*	*	S	Bend	trans	-130.9	15.5	174.1	63.8	0	0	0	0	114
568	L	31.4	Very low	33.3	Very low	148 Å²	148	130.7 Å²	130.7	78%	0.775	70%	0.697	S	S	*	*	S	Bend	trans	-123.2	2.8	-177.5	-131.8	82.1	0	0	0	114.8
569	N	31.2	Very low	33.3	Very low	87 Å²	87	130.5 Å²	130.5	47%	0.465	70%	0.695	S	S	.	*	S	Bend	trans	-96.8	-8	-170.8	-74.8	-9.6	0	0	0	114.9
570	N	31.6	Very low	33.1	Very low	140 Å²	140	125.3 Å²	125.3	75%	0.749	68%	0.679	S	S	*	*	H	α-helix	trans	-81.7	-30.7	-170.7	-69.8	1	0	0	0	113.7	I572	N570-I572 VanDerWaalsContact C-N 3.34Å; N570-I572 PolarHBondContact O-N 3.39Å
571	E	33.4	Very low	33.3	Very low	172 Å²	172	123.3 Å²	123.3	80%	0.804	67%	0.665	S	S	*	*	H	α-helix	trans	-75	-18.2	176.6	-80.8	-170.3	131.2	0	0	114.5
572	I	36.9	Very low	33.4	Very low	99 Å²	99	123.8 Å²	123.8	51%	0.508	66%	0.658	S	S	.	*	H	α-helix	trans	-80.3	-24.2	-179.3	-64.6	175.3	0	0	0	111.2	N570	N570-I572 VanDerWaalsContact C-N 3.34Å; N570-I572 PolarHBondContact O-N 3.39Å
573	N	33.4	Very low	33.6	Very low	92 Å²	92	124.1 Å²	124.1	49%	0.492	65%	0.654	S	S	.	*	H	α-helix	trans	-78.2	-33.3	-179.5	-73.9	-19.5	0	0	0	112.9	K575 K576 S577	N573-K575 VanDerWaalsContact C-N 3.33Å; N573-K575 PolarHBondContact O-N 2.87Å; N573-K576 WeakPolarHBondContact O-CB 3.18Å; N573-K576 PolarHBondContact O-N 3.31Å; N573-K576 VanDerWaalsContact O-N 3.09Å; N573-S577 PolarHBondContact O-N 3.22Å
574	D	36.9	Very low	33.9	Very low	115 Å²	115	121 Å²	121	62%	0.615	64%	0.64	S	S	*	*	H	α-helix	trans	-70.5	-24.5	177.6	-82.7	-9.8	0	0	0	114.3	S577	D574-S577 WeakPolarHBondContact CA-OG 3.43Å; D574-S577 PolarHBondContact O-OG 3.38Å
575	K	37.2	Very low	34.3	Very low	168 Å²	168	121 Å²	121	73%	0.73	63%	0.63	S	S	*	*	H	α-helix	trans	-78.4	-27.3	169.7	-73.7	179	179	171.3	0	112.1	N573	N573-K575 VanDerWaalsContact C-N 3.33Å; N573-K575 PolarHBondContact O-N 2.87Å
576	K	33.9	Very low	34.4	Very low	128 Å²	128	120.1 Å²	120.1	56%	0.557	62%	0.617	S	S	*	*	H	α-helix	trans	-75.4	-39.4	173.4	-80.8	178.4	175.2	173.5	0	112.5	N573 L579 T580	N573-K576 WeakPolarHBondContact O-CB 3.18Å; N573-K576 PolarHBondContact O-N 3.31Å; N573-K576 VanDerWaalsContact O-N 3.09Å; K576-L579 WeakPolarHBondContact O-CB 3.46Å; K576-L579 PolarHBondContact O-N 2.88Å; K576-T580 PolarHBondContact O-N 3.32Å; K576-T580 PolarHBondContact O-OG1 3.33Å; K576-T580 VanDerWaalsContact O-OG1 3.09Å
577	S	34.4	Very low	34.7	Very low	47 Å²	47	117.6 Å²	117.6	33%	0.329	61%	0.609	S	S	.	*	H	α-helix	trans	-60.3	-47.4	-180	59.8	0	0	0	0	112.1	N573 D574 L579 T580 E581	N573-S577 PolarHBondContact O-N 3.22Å; D574-S577 WeakPolarHBondContact CA-OG 3.43Å; D574-S577 PolarHBondContact O-OG 3.38Å; S577-L579 VanDerWaalsContact C-N 3.32Å; S577-L579 PolarHBondContact O-N 3.04Å; S577-T580 VanDerWaalsContact CA-OG1 3.31Å; S577-T580 WeakPolarHBondContact CA-OG1 3.24Å; S577-T580 PolarHBondContact O-N 3.06Å; S577-T580 VanDerWaalsContact O-N 3.09Å; S577-T580 PolarHBondContact O-OG1 2.83Å; S577-E581 PolarHBondContact O-N 2.86Å
578	K	37.6	Very low	35	Very low	153 Å²	153	117.8 Å²	117.8	67%	0.665	60%	0.597	S	S	*	*	H	α-helix	trans	-61.8	-35	174.7	-71.8	-178.2	175.3	178.7	0	113.7	S582	K578-S582 PolarHBondContact O-N 3.46Å
579	L	35.3	Very low	35.2	Very low	110 Å²	110	121 Å²	121	58%	0.576	60%	0.599	S	S	*	*	H	α-helix	trans	-66.9	-40.8	172.7	-85.6	163.6	0	0	0	111.4	K576 S577 S582	K576-L579 WeakPolarHBondContact O-CB 3.46Å; K576-L579 PolarHBondContact O-N 2.88Å; S577-L579 VanDerWaalsContact C-N 3.32Å; S577-L579 PolarHBondContact O-N 3.04Å; L579-S582 PolarHBondContact O-N 3Å; L579-S582 PolarHBondContact O-OG 2.8Å
580	T	36	Very low	35.4	Very low	83 Å²	83	122.1 Å²	122.1	51%	0.509	60%	0.6	S	S	.	*	H	α-helix	trans	-66.9	-38.7	175.5	37.2	0	0	0	0	113.6	K576 S577 S582 L583 V584	K576-T580 PolarHBondContact O-N 3.32Å; K576-T580 PolarHBondContact O-OG1 3.33Å; K576-T580 VanDerWaalsContact O-OG1 3.09Å; S577-T580 VanDerWaalsContact CA-OG1 3.31Å; S577-T580 WeakPolarHBondContact CA-OG1 3.24Å; S577-T580 PolarHBondContact O-N 3.06Å; S577-T580 VanDerWaalsContact O-N 3.09Å; S577-T580 PolarHBondContact O-OG1 2.83Å; T580-S582 VanDerWaalsContact C-N 3.29Å; T580-S582 PolarHBondContact O-N 2.87Å; T580-L583 PolarHBondContact O-N 3.42Å; T580-V584 WeakPolarHBondContact O-CG2 3.4Å; T580-V584 PolarHBondContact O-N 2.99Å
581	E	34.4	Very low	35.5	Very low	120 Å²	120	122.8 Å²	122.8	56%	0.561	60%	0.596	S	S	*	*	H	α-helix	trans	-58.6	-41.2	174.9	-72.5	177.5	137.7	0	0	111.8	S577 L583 V584 I585	S577-E581 PolarHBondContact O-N 2.86Å; E581-L583 VanDerWaalsContact C-N 3.25Å; E581-L583 PolarHBondContact O-N 3.36Å; E581-V584 PolarHBondContact O-N 3.08Å; E581-V584 VanDerWaalsContact O-N 3.15Å; E581-I585 WeakPolarHBondContact O-CD1 3.28Å; E581-I585 WeakPolarHBondContact O-CG1 3.48Å
582	S	35.7	Very low	35.5	Very low	77 Å²	77	122.3 Å²	122.3	54%	0.538	60%	0.599	S	S	.	*	H	α-helix	trans	-63	-24.5	-179.4	73.9	0	0	0	0	114.9	K578 L579 T580	K578-S582 PolarHBondContact O-N 3.46Å; L579-S582 PolarHBondContact O-N 3Å; L579-S582 PolarHBondContact O-OG 2.8Å; T580-S582 VanDerWaalsContact C-N 3.29Å; T580-S582 PolarHBondContact O-N 2.87Å
583	L	36	Very low	35.4	Very low	135 Å²	135	122.7 Å²	122.7	71%	0.707	60%	0.601	S	S	*	*	H	α-helix	trans	-90.1	-19.9	175.8	-89	87.1	0	0	0	114	T580 E581	T580-L583 PolarHBondContact O-N 3.42Å; E581-L583 VanDerWaalsContact C-N 3.25Å; E581-L583 PolarHBondContact O-N 3.36Å
584	V	36.3	Very low	35.5	Very low	89 Å²	89	122.5 Å²	122.5	54%	0.539	62%	0.62	S	S	.	*	H	α-helix	trans	-86.4	-32.7	-172.2	170.7	0	0	0	0	112.5	T580 E581 Y586 N587	T580-V584 WeakPolarHBondContact O-CG2 3.4Å; T580-V584 PolarHBondContact O-N 2.99Å; E581-V584 PolarHBondContact O-N 3.08Å; E581-V584 VanDerWaalsContact O-N 3.15Å; V584-Y586 VanDerWaalsContact C-N 3.25Å; V584-Y586 PolarHBondContact O-N 3.2Å; V584-Y586 VanDerWaalsContact O-N 3.09Å; V584-N587 PolarHBondContact O-N 3.4Å
585	I	37	Very low	35.9	Very low	122 Å²	122	120.1 Å²	120.1	63%	0.626	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-22.8	-168.5	-68.5	163.6	0	0	0	114.4	E581	E581-I585 WeakPolarHBondContact O-CD1 3.28Å; E581-I585 WeakPolarHBondContact O-CG1 3.48Å
586	Y	34.1	Very low	36.8	Very low	144 Å²	144	116.2 Å²	116.2	57%	0.565	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-24.3	-178.4	-148.4	-93.9	0	0	0	114.5	V584 E588 F590	V584-Y586 VanDerWaalsContact C-N 3.25Å; V584-Y586 PolarHBondContact O-N 3.2Å; V584-Y586 VanDerWaalsContact O-N 3.09Å; Y586-E588 VanDerWaalsContact C-N 3.34Å; Y586-E588 PolarHBondContact O-N 2.95Å; Y586-F590 HydrophobicContact CD1-CD2 4.39Å; Y586-F590 AromaticContact CE1-CD2 3.97Å; Y586-F590 HydrophobicContact CE1-CD2 3.97Å; Y586-F590 AromaticContact CE1-CE2 3.72Å; Y586-F590 HydrophobicContact CE1-CE2 3.72Å
587	N	36.8	Very low	38.1	Very low	122 Å²	122	111.9 Å²	111.9	65%	0.652	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-73.1	-24.2	-177.1	-87.4	-21.5	0	0	0	113.6	V584 R589	V584-N587 PolarHBondContact O-N 3.4Å; N587-R589 VanDerWaalsContact C-N 3.34Å; N587-R589 PolarHBondContact O-N 3.38Å
588	E	35.3	Very low	39.7	Very low	123 Å²	123	110.8 Å²	110.8	58%	0.575	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-67.5	-30.8	-179	-72.8	-102.2	93.5	0	0	113.2	Y586 K591	Y586-E588 VanDerWaalsContact C-N 3.34Å; Y586-E588 PolarHBondContact O-N 2.95Å; E588-K591 IonicContact OE1-NZ 3.52Å; E588-K591 PolarHBondContact OE1-NZ 2.75Å
589	R	36.1	Very low	41.4	Very low	215 Å²	215	107.1 Å²	107.1	81%	0.811	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-83.3	-11.2	-173.8	-72.7	-176	175.8	170.8	0.2	115.1	N587	N587-R589 VanDerWaalsContact C-N 3.34Å; N587-R589 PolarHBondContact O-N 3.38Å
590	F	35.4	Very low	43.5	Very low	110 Å²	110	102.4 Å²	102.4	48%	0.482	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-122.4	22.6	-175.1	-75.2	-80.2	0	0	0	114.4	Y586 N592 I593	Y586-F590 HydrophobicContact CD1-CD2 4.39Å; Y586-F590 AromaticContact CE1-CD2 3.97Å; Y586-F590 HydrophobicContact CE1-CD2 3.97Å; Y586-F590 AromaticContact CE1-CE2 3.72Å; Y586-F590 HydrophobicContact CE1-CE2 3.72Å; F590-N592 PolarHBondContact O-N 2.88Å; F590-I593 PolarHBondContact O-N 3.41Å
591	K	33.7	Very low	45.6	Very low	155 Å²	155	101.8 Å²	101.8	67%	0.674	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-7.6	177.3	-85.9	172.5	170	165.4	0	116.1	E588	E588-K591 IonicContact OE1-NZ 3.52Å; E588-K591 PolarHBondContact OE1-NZ 2.75Å
592	N	33	Very low	47.8	Very low	162 Å²	162	96.3 Å²	96.3	87%	0.866	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	4.7	-178.7	-71	-7.7	0	0	0	115.6	F590	F590-N592 PolarHBondContact O-N 2.88Å
593	I	34	Very low	49.5	Very low	107 Å²	107	96.1 Å²	96.1	55%	0.549	50%	0.495	S	S	.	.	S	Bend	trans	-132.7	122.1	178.4	-57.3	178.2	0	0	0	110	F590 T595	F590-I593 PolarHBondContact O-N 3.41Å; I593-T595 HydrophobicContact CG2-CG2 4.18Å; I593-T595 PolarHBondContact O-N 3.07Å
594	G	37.2	Very low	51.2	Low	87 Å²	87	93.8 Å²	93.8	90%	0.897	48%	0.48	S	S	*	.			trans	-74.3	30.6	-167.9	0	0	0	0	0	117.4
595	T	44.5	Very low	52.6	Low	66 Å²	66	94.6 Å²	94.6	41%	0.405	48%	0.476	S	S	.	.			trans	-93.4	123.2	-179.2	49.7	0	0	0	0	111.5	I593	I593-T595 HydrophobicContact CG2-CG2 4.18Å; I593-T595 PolarHBondContact O-N 3.07Å
596	K	56.6	Low	53	Low	85 Å²	85	97.6 Å²	97.6	37%	0.37	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	139.9	168.9	-64.7	-160	176.2	-156.1	0	110.3	Q449 W528 D532	Q449-K596 PolarHBondContact N-O 3.43Å; W528-K596 HydrophobicContact CD2-CD 4.11Å; W528-K596 HydrophobicContact CE3-CB 4.01Å; W528-K596 HydrophobicContact CE3-CD 3.82Å; W528-K596 HydrophobicContact CH2-CB 3.63Å; W528-K596 HydrophobicContact CZ2-CB 4.16Å; W528-K596 HydrophobicContact CZ3-CB 3.55Å; W528-K596 HydrophobicContact CZ3-CD 4.25Å; D532-K596 IonicContact OD1-NZ 2.71Å; D532-K596 PolarHBondContact OD1-NZ 2.72Å; D532-K596 IonicContact OD2-NZ 3.31Å; D532-K596 PolarHBondContact OD2-NZ 3.29Å
597	G	59.9	Low	53.2	Low	38 Å²	38	97.1 Å²	97.1	39%	0.392	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	163.3	179.5	0	0	0	0	0	113.9	L447	L447-G597 CarbonylContact O-C 3.43Å; L447-G597 WeakPolarHBondContact O-CA 3.3Å
598	V	68.9	Low	53	Low	23 Å²	23	97 Å²	97	14%	0.139	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	136.6	180	-177.3	0	0	0	0	108.9	L447 F527 W528 I531 F600	L447-V598 HydrophobicContact CB-CB 4.45Å; L447-V598 PolarHBondContact N-O 3.43Å; L447-V598 PolarHBondContact O-N 2.9Å; F527-V598 HydrophobicContact CE1-CG2 3.83Å; F527-V598 HydrophobicContact CZ-CG2 3.9Å; W528-V598 HydrophobicContact CH2-CG2 4.1Å; W528-V598 HydrophobicContact CZ3-CG2 3.86Å; I531-V598 HydrophobicContact CD1-CG2 3.5Å; V598-F600 HydrophobicContact CB-CE2 4.34Å; V598-F600 HydrophobicContact CG1-CD2 4.4Å; V598-F600 HydrophobicContact CG1-CE2 3.86Å; V598-F600 HydrophobicContact CG1-CZ 3.93Å
599	I	73.2	Confident	52.8	Low	76 Å²	76	96.9 Å²	96.9	39%	0.39	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.9	179.2	-60	175.1	0	0	0	108.4	Y444	Y444-I599 HydrophobicContact CD1-CG2 3.87Å
600	F	80	Confident	52.5	Low	12 Å²	12	94.2 Å²	94.2	5%	0.053	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.2	169.4	-57.5	-93.6	0	0	0	108.8	Y444 V445 L447 L483 L496 N497 P498 V598	Y444-F600 WeakPolarHBondContact CA-O 3.34Å; V445-F600 HydrophobicContact CB-CB 4.31Å; V445-F600 PolarHBondContact N-O 2.71Å; V445-F600 PolarHBondContact O-N 2.96Å; L447-F600 HydrophobicContact CB-CE2 4.23Å; L447-F600 HydrophobicContact CD2-CE2 4.45Å; L483-F600 HydrophobicContact CD1-CE2 3.89Å; L483-F600 HydrophobicContact CD1-CZ 3.83Å; L483-F600 HydrophobicContact CD2-CE2 4.43Å; L496-F600 HydrophobicContact CD2-CB 4.41Å; N497-F600 WeakPolarHBondContact O-CA 3.38Å; P498-F600 HydrophobicContact CG-CD1 4.29Å; P498-F600 HydrophobicContact CG-CE1 4.28Å; V598-F600 HydrophobicContact CB-CE2 4.34Å; V598-F600 HydrophobicContact CG1-CD2 4.4Å; V598-F600 HydrophobicContact CG1-CE2 3.86Å; V598-F600 HydrophobicContact CG1-CZ 3.93Å
601	K	80.1	Confident	52.2	Low	70 Å²	70	98.5 Å²	98.5	30%	0.304	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	134.6	172.9	-176.3	171.6	-178.7	119.6	0	110.1	E443 Y444 N497 M603	E443-K601 IonicContact OE1-NZ 2.6Å; E443-K601 PolarHBondContact OE1-NZ 3.42Å; Y444-K601 HydrophobicContact CD1-CB 4.06Å; Y444-K601 HydrophobicContact CD1-CG 4.19Å; Y444-K601 HydrophobicContact CE1-CB 3.97Å; Y444-K601 HydrophobicContact CE1-CD 3.9Å; Y444-K601 HydrophobicContact CE1-CG 3.79Å; Y444-K601 PolarHBondContact OH-NZ 2.94Å; N497-K601 PolarHBondContact N-O 3.32Å; N497-K601 PolarHBondContact O-N 3.14Å; K601-M603 HydrophobicContact CD-SD 3.78Å; K601-M603 HydrophobicContact CG-SD 4.02Å; K601-M603 PolarHBondContact O-N 3.12Å
602	V	79.2	Confident	51.9	Low	5 Å²	5	99.7 Å²	99.7	3%	0.03	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	100.4	174.8	-172.6	0	0	0	0	109.1	M439 I442 E443 V445 L490 A494 L496	M439-V602 HydrophobicContact CE-CG2 4.43Å; I442-V602 HydrophobicContact CG2-CG2 4.32Å; E443-V602 PolarHBondContact O-N 3.48Å; V445-V602 HydrophobicContact CG2-CG2 4.3Å; L490-V602 HydrophobicContact CD1-CG1 4.22Å; L490-V602 HydrophobicContact CD2-CG1 4.28Å; A494-V602 HydrophobicContact CB-CG1 4.22Å; L496-V602 HydrophobicContact CD2-CG2 4.19Å
603	M	73.3	Confident	51.6	Low	73 Å²	73	97 Å²	97	36%	0.36	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	109.7	-179.5	-65.6	-64.4	-61.8	0	0	109.6	A494 C495 N497 K601	A494-M603 CarbonylContact C-O 3.57Å; A494-M603 WeakPolarHBondContact CA-O 3.44Å; A494-M603 WeakPolarHBondContact CB-O 3.22Å; C495-M603 PolarHBondContact N-O 3.17Å; C495-M603 PolarHBondContact O-N 2.69Å; N497-M603 HydrophobicContact CB-CG 3.62Å; K601-M603 HydrophobicContact CD-SD 3.78Å; K601-M603 HydrophobicContact CG-SD 4.02Å; K601-M603 PolarHBondContact O-N 3.12Å
604	H	70.6	Confident	51.3	Low	85 Å²	85	99.5 Å²	99.5	39%	0.394	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	135.9	174.2	-69.3	75.3	0	0	0	110.6	A494	A494-H604 HydrophobicContact CB-CB 4.49Å
605	F	64.9	Low	50.8	Low	106 Å²	106	99.7 Å²	99.7	47%	0.465	53%	0.53	S	S	.	.			trans	-96.6	103.8	176.4	-61.1	-68.5	0	0	0	110	N493 C495 I607	N493-F605 PolarHBondContact O-N 3.35Å; C495-F605 HydrophobicContact CB-CE2 3.95Å; C495-F605 HydrophobicContact CB-CZ 4.26Å; C495-F605 VanDerWaalsContact SG-CZ 3.52Å; F605-I607 PolarHBondContact O-N 3.15Å
606	E	47.2	Very low	49.9	Very low	186 Å²	186	106.4 Å²	106.4	87%	0.869	55%	0.554	S	S	*	*			trans	-67.9	111.9	163.4	-68.4	-176.6	172.9	0	0	108.6	P608	E606-P608 WeakPolarHBondContact O-CD 3.42Å
607	I	38.5	Very low	48.5	Very low	134 Å²	134	109.1 Å²	109.1	69%	0.687	57%	0.571	S	S	*	*			trans	-64.8	121.2	165.6	-60.7	173.3	0	0	0	106.1	F605 T609	F605-I607 PolarHBondContact O-N 3.15Å; I607-T609 VanDerWaalsContact C-N 3.29Å; I607-T609 PolarHBondContact O-N 3.41Å
608	P	31.7	Very low	47	Very low	119 Å²	119	112.6 Å²	112.6	77%	0.773	58%	0.577	S	S	*	*			trans	-70.6	90.2	178.2	28.9	-33.9	0	0	0	109	E606 N610	E606-P608 WeakPolarHBondContact O-CD 3.42Å; P608-N610 PolarHBondContact O-N 3.41Å
609	T	31.8	Very low	45	Very low	120 Å²	120	120.6 Å²	120.6	74%	0.736	61%	0.613	S	S	*	*			trans	-61.9	120.1	159.8	41.1	0	0	0	0	107	I607 Q611	I607-T609 VanDerWaalsContact C-N 3.29Å; I607-T609 PolarHBondContact O-N 3.41Å; T609-Q611 PolarHBondContact O-N 3.43Å
610	N	29.6	Very low	42.9	Very low	159 Å²	159	121.7 Å²	121.7	85%	0.85	62%	0.62	S	S	*	*			trans	-51.3	128.8	173.4	-94.5	-18.8	0	0	0	108.6	P608 Q612	P608-N610 PolarHBondContact O-N 3.41Å; N610-Q612 PolarHBondContact O-N 3.11Å
611	Q	28.8	Very low	40.4	Very low	200 Å²	200	126 Å²	126	94%	0.935	65%	0.652	S	S	*	*			trans	-67.4	81.5	179.9	-68.3	174.2	-16.5	0	0	110.3	T609	T609-Q611 PolarHBondContact O-N 3.43Å
612	Q	28.1	Very low	38.1	Very low	181 Å²	181	132.4 Å²	132.4	85%	0.846	68%	0.68	S	S	*	*			trans	-90.5	129.1	146.8	-82.4	-173.4	-22.4	0	0	108	N610 D614	N610-Q612 PolarHBondContact O-N 3.11Å; Q612-D614 PolarHBondContact O-N 2.85Å
613	S	26.1	Very low	35.8	Very low	104 Å²	104	140.6 Å²	140.6	73%	0.727	72%	0.717	S	S	*	*			trans	-75.9	87	-170.1	53.8	0	0	0	0	111.6	V615	S613-V615 PolarHBondContact O-N 3.2Å
614	D	26.7	Very low	33.7	Very low	161 Å²	161	143.1 Å²	143.1	86%	0.861	74%	0.736	S	S	*	*			trans	-74.5	66.1	153.4	-78.6	-16	0	0	0	109	Q612 F616	Q612-D614 PolarHBondContact O-N 2.85Å; D614-F616 PolarHBondContact O-N 2.9Å
615	V	27	Very low	31.6	Very low	91 Å²	91	146.9 Å²	146.9	55%	0.552	75%	0.754	S	S	*	*			trans	-53.6	131.9	151	168.6	0	0	0	0	105.9	S613 I617	S613-V615 PolarHBondContact O-N 3.2Å; V615-I617 HydrophobicContact CG1-CG1 4.35Å; V615-I617 PolarHBondContact O-N 3.05Å
616	F	25.3	Very low	30.1	Very low	207 Å²	207	148.3 Å²	148.3	91%	0.908	77%	0.771	S	S	*	*			trans	-57.7	86.2	165	-83.2	-101.5	0	0	0	109	D614 E618	D614-F616 PolarHBondContact O-N 2.9Å; F616-E618 PolarHBondContact O-N 3.37Å
617	I	28	Very low	29.2	Very low	142 Å²	142	145.2 Å²	145.2	73%	0.728	76%	0.76	S	S	*	*			trans	-76.3	101.1	161.6	-67	178.7	0	0	0	104.2	V615 Q619	V615-I617 HydrophobicContact CG1-CG1 4.35Å; V615-I617 PolarHBondContact O-N 3.05Å; I617-Q619 PolarHBondContact O-N 3.13Å; I617-Q619 VanDerWaalsContact O-N 3.11Å
618	E	27.3	Very low	28.7	Very low	111 Å²	111	144.1 Å²	144.1	52%	0.519	77%	0.765	S	S	.	*			trans	-37.2	119.2	153.9	-63.5	169.2	124.2	0	0	107.3	F616 D620	F616-E618 PolarHBondContact O-N 3.37Å; E618-D620 PolarHBondContact O-N 3.32Å
619	Q	27.9	Very low	28.6	Very low	191 Å²	191	143.5 Å²	143.5	89%	0.893	76%	0.763	S	S	*	*			trans	-70.4	76.9	170.9	-77.8	-173.2	-20.9	0	0	108	I617 S621	I617-Q619 PolarHBondContact O-N 3.13Å; I617-Q619 VanDerWaalsContact O-N 3.11Å; Q619-S621 PolarHBondContact O-N 3.36Å
620	D	28.1	Very low	28.7	Very low	98 Å²	98	143.4 Å²	143.4	52%	0.524	76%	0.763	S	S	.	*			trans	-47	122.8	166.1	-110.8	-26	0	0	0	107.1	E618 K622 K677	E618-D620 PolarHBondContact O-N 3.32Å; D620-K622 PolarHBondContact O-N 3.34Å; D620-K677 VanDerWaalsContact CG-NZ 3.3Å; D620-K677 IonicContact OD1-NZ 3.88Å; D620-K677 PolarHBondContact OD1-NZ 2.87Å; D620-K677 IonicContact OD2-NZ 3.36Å; D620-K677 PolarHBondContact OD2-NZ 2.96Å
621	S	28	Very low	28.9	Very low	104 Å²	104	144.7 Å²	144.7	73%	0.727	76%	0.763	S	S	*	*			trans	-63.7	102.1	-176.2	-36.4	0	0	0	0	108.7	Q619 H623	Q619-S621 PolarHBondContact O-N 3.36Å; S621-H623 VanDerWaalsContact C-N 3.33Å; S621-H623 PolarHBondContact O-N 3.37Å
622	K	31.3	Very low	29.1	Very low	204 Å²	204	140.3 Å²	140.3	89%	0.887	75%	0.752	S	S	*	*			trans	-65.1	100.7	168.2	-80.3	-171	176.7	-179.8	0	108	D620 V624	D620-K622 PolarHBondContact O-N 3.34Å; K622-V624 PolarHBondContact O-N 3.21Å
623	H	31.5	Very low	29.4	Very low	177 Å²	177	137.5 Å²	137.5	82%	0.819	75%	0.748	S	S	*	*			trans	-44	117.5	174.9	-82.2	-102.4	0	0	0	111.2	S621 Q625	S621-H623 VanDerWaalsContact C-N 3.33Å; S621-H623 PolarHBondContact O-N 3.37Å; H623-Q625 PolarHBondContact O-N 2.92Å
624	V	29.5	Very low	29.8	Very low	126 Å²	126	138.8 Å²	138.8	76%	0.764	75%	0.747	S	S	*	*			trans	-73.6	115.4	155.8	174.9	0	0	0	0	106.5	K622 V626	K622-V624 PolarHBondContact O-N 3.21Å; V624-V626 PolarHBondContact O-N 3.02Å
625	Q	26.9	Very low	30.2	Very low	164 Å²	164	137.4 Å²	137.4	77%	0.766	74%	0.739	S	S	*	*			trans	-65.3	121.9	170	-73.3	176.1	-45.9	0	0	109.4	H623	H623-Q625 PolarHBondContact O-N 2.92Å
626	V	32	Very low	30.7	Very low	136 Å²	136	138.9 Å²	138.9	82%	0.824	74%	0.744	S	S	*	*			trans	-109.5	107.2	158.4	-179.7	0	0	0	0	106.4	V624	V624-V626 PolarHBondContact O-N 3.02Å
627	N	29.1	Very low	31.1	Very low	120 Å²	120	137.2 Å²	137.2	64%	0.642	74%	0.739	S	S	*	*			trans	-76.7	155	179	-75.2	-25.1	0	0	0	111.5
628	S	27.2	Very low	31.4	Very low	112 Å²	112	137.3 Å²	137.3	78%	0.783	74%	0.74	S	S	*	*			trans	60.2	138.6	164.5	53.5	0	0	0	0	116.5
629	S	30.9	Very low	31.5	Very low	106 Å²	106	143 Å²	143	74%	0.741	76%	0.757	S	S	*	*			cis	-158	158.6	0.7	39.5	0	0	0	0	106.3
630	T	33.1	Very low	32	Very low	117 Å²	117	142.9 Å²	142.9	72%	0.718	76%	0.757	S	S	*	*				178.2	116.2	79.4	-57.2	0	0	0	0	109.3
631	E	33.6	Very low	32	Very low	186 Å²	186	143.5 Å²	143.5	87%	0.869	76%	0.764	S	S	*	*			trans	58.7	157.8	144.6	-71.7	-171.1	168.2	0	0	123.5
632	P	34.5	Very low	32.4	Very low	108 Å²	108	146.7 Å²	146.7	70%	0.701	77%	0.773	S	S	*	*			trans	-122.3	179.3	-138.5	44.5	-33.7	0	0	0	115.5
633	T	34	Very low	32.5	Very low	123 Å²	123	142.7 Å²	142.7	76%	0.755	77%	0.766	S	S	*	*			trans	163.8	144.6	152.1	34.7	0	0	0	0	108.3
634	D	34.6	Very low	32.8	Very low	131 Å²	131	142.7 Å²	142.7	70%	0.701	77%	0.77	S	S	*	*			cis	-156.5	158.4	-15.8	-92.6	-17.9	0	0	0	110.9
635	D	33.9	Very low	33.1	Very low	132 Å²	132	142.8 Å²	142.8	71%	0.706	77%	0.766	S	S	*	*			trans	62.9	136	139.9	-76.7	-0	0	0	0	127.5
636	N	37.4	Very low	33.6	Very low	122 Å²	122	141.1 Å²	141.1	65%	0.652	76%	0.762	S	S	*	*			trans	76.6	117.6	142.7	-63.6	-27.9	0	0	0	123.8
637	E	34.4	Very low	33.9	Very low	172 Å²	172	141.6 Å²	141.6	80%	0.804	76%	0.756	S	S	*	*			trans	70.2	138.3	135.3	-61.4	-179.6	163.2	0	0	118.6
638	L	34.3	Very low	34.2	Very low	144 Å²	144	141.8 Å²	141.8	75%	0.754	76%	0.757	S	S	*	*			cis	-152.5	148.5	34.7	-160.9	81.5	0	0	0	111.1
639	R	28.7	Very low	34.6	Very low	230 Å²	230	143.9 Å²	143.9	87%	0.868	76%	0.759	S	S	*	*			trans	-100.5	139.7	165.9	-82.2	-177.1	171.8	-173.6	-1.9	110.4
640	Q	38.3	Very low	35	Very low	189 Å²	189	144 Å²	144	88%	0.883	76%	0.758	S	S	*	*			trans	-133.3	137.9	148.8	-87	-174.4	-12.7	0	0	110.4
641	T	28.6	Very low	34.9	Very low	111 Å²	111	146.3 Å²	146.3	68%	0.681	76%	0.763	S	S	*	*			trans	-115.8	147.7	-178.3	47	0	0	0	0	108.6
642	D	36.5	Very low	35	Very low	171 Å²	171	142.5 Å²	142.5	91%	0.914	76%	0.757	S	S	*	*			trans	-143.7	139.6	148.2	-96	-39.2	0	0	0	110.2
643	T	33.9	Very low	35.1	Very low	119 Å²	119	146.8 Å²	146.8	73%	0.73	77%	0.768	S	S	*	*			trans	-131.1	133.4	-170.9	30.8	0	0	0	0	108.6
644	I	36.7	Very low	35.3	Very low	177 Å²	177	149.3 Å²	149.3	91%	0.908	77%	0.772	S	S	*	*			trans	-133.1	122	161.5	-63.5	-177.8	0	0	0	107.9
645	D	36.5	Very low	35.2	Very low	128 Å²	128	153 Å²	153	68%	0.684	78%	0.784	S	S	*	*			trans	-85.6	174.4	-178.1	-78.2	-51.9	0	0	0	113.7
646	N	37.2	Very low	35.5	Very low	129 Å²	129	151.1 Å²	151.1	69%	0.69	79%	0.787	S	S	*	*			trans	77.3	141.3	151	-64.6	-38	0	0	0	117.9
647	Q	38.5	Very low	35.7	Very low	147 Å²	147	150.5 Å²	150.5	69%	0.687	79%	0.792	S	S	*	*			cis	-168.4	166.4	-13.8	-126.3	173.6	36.7	0	0	110.1
648	N	36.1	Very low	36.2	Very low	123 Å²	123	149.1 Å²	149.1	66%	0.658	79%	0.789	S	S	*	*			trans	78.2	91.7	153.2	-57.7	-25.7	0	0	0	121.7
649	N	35	Very low	36.7	Very low	157 Å²	157	147.7 Å²	147.7	84%	0.84	78%	0.782	S	S	*	*				73.6	153.9	121.9	-76	-3.7	0	0	0	122.8
650	P	38.5	Very low	37.8	Very low	109 Å²	109	140.8 Å²	140.8	71%	0.708	77%	0.767	S	S	*	*			trans	-121.8	-165.1	-151.9	42.1	-26.4	0	0	0	114.4
651	I	32.3	Very low	38.6	Very low	164 Å²	164	138.3 Å²	138.3	84%	0.841	76%	0.757	S	S	*	*			trans	100.2	93.7	175.1	-52.6	157.9	0	0	0	113.9
652	S	34.5	Very low	40.6	Very low	106 Å²	106	138.3 Å²	138.3	74%	0.741	75%	0.753	S	S	*	*				-175.8	144.4	122.8	51.4	0	0	0	0	110.5	E654	S652-E654 PolarHBondContact O-N 3.35Å
653	E	36.7	Very low	42.4	Very low	198 Å²	198	134.5 Å²	134.5	93%	0.925	73%	0.732	S	S	*	*			trans	-74.4	114.7	175.1	-62.3	164.7	141.9	0	0	109.7
654	E	38.2	Very low	44.6	Very low	177 Å²	177	132.9 Å²	132.9	83%	0.827	72%	0.718	S	S	*	*			trans	-139	134.3	164.1	-87.1	-169.9	160.1	0	0	110.7	S652 A656	S652-E654 PolarHBondContact O-N 3.35Å; E654-A656 PolarHBondContact O-N 3.44Å
655	E	33.5	Very low	46.8	Very low	208 Å²	208	128.6 Å²	128.6	97%	0.972	70%	0.7	S	S	*	*			trans	-73.4	85.6	-177.1	-62.7	-180	133.8	0	0	111.2	S657	E655-S657 PolarHBondContact O-N 3.47Å
656	A	39.7	Very low	49	Very low	93 Å²	93	125.7 Å²	125.7	77%	0.769	69%	0.687	S	S	*	*			trans	-80.5	116	178.7	0	0	0	0	0	112.4	E654 I658	E654-A656 PolarHBondContact O-N 3.44Å; A656-I658 PolarHBondContact O-N 3.25Å
657	S	42.7	Very low	51.2	Low	108 Å²	108	123.7 Å²	123.7	76%	0.755	68%	0.675	S	S	*	*			trans	-43.6	126.7	175.7	56.8	0	0	0	0	114.4	E655 N659	E655-S657 PolarHBondContact O-N 3.47Å; S657-N659 PolarHBondContact O-N 3.04Å
658	I	45	Very low	53.5	Low	143 Å²	143	123.1 Å²	123.1	73%	0.733	67%	0.67	S	S	*	*			trans	-62.5	110	171.6	-61.7	173.4	0	0	0	108.9	A656 P660 I663	A656-I658 PolarHBondContact O-N 3.25Å; I658-P660 WeakPolarHBondContact O-CD 3.23Å; I658-I663 HydrophobicContact CG2-CD1 4.11Å
659	N	43.5	Very low	55.8	Low	114 Å²	114	122.2 Å²	122.2	61%	0.61	67%	0.665	S	S	*	*			trans	-71.9	113	-172.3	-149.8	-18.4	0	0	0	110.1	S657 M661 N662	S657-N659 PolarHBondContact O-N 3.04Å; N659-M661 PolarHBondContact O-N 3.21Å; N659-N662 PolarHBondContact O-N 2.82Å; N659-N662 VanDerWaalsContact O-N 3.11Å
660	P	53	Low	58.2	Low	86 Å²	86	119.4 Å²	119.4	56%	0.558	65%	0.647	S	S	*	*	H	α-helix	trans	-64.1	-19.9	-164.9	22.6	-33.8	0	0	0	114.3	I658 N662 I663 I664	I658-P660 WeakPolarHBondContact O-CD 3.23Å; P660-N662 VanDerWaalsContact C-N 3.26Å; P660-N662 PolarHBondContact O-N 3.47Å; P660-I663 PolarHBondContact O-N 2.84Å; P660-I664 PolarHBondContact O-N 2.71Å
661	M	53.3	Low	60.5	Low	137 Å²	137	118.9 Å²	118.9	68%	0.675	64%	0.638	S	S	*	*	H	α-helix	trans	-56.7	-36	173.9	-82.5	-66.5	-163.4	0	0	113.5	N659 I664 V665	N659-M661 PolarHBondContact O-N 3.21Å; M661-I664 PolarHBondContact O-N 3.1Å; M661-V665 WeakPolarHBondContact O-CG2 3.29Å; M661-V665 PolarHBondContact O-N 3.08Å; M661-V665 VanDerWaalsContact O-N 3.14Å
662	N	71.9	Confident	63.2	Low	111 Å²	111	115.2 Å²	115.2	59%	0.594	62%	0.622	S	S	*	*	H	α-helix	trans	-74.1	-30.7	-174.6	-151.7	-0.3	0	0	0	112.3	N659 P660 V665 T666	N659-N662 PolarHBondContact O-N 2.82Å; N659-N662 VanDerWaalsContact O-N 3.11Å; P660-N662 VanDerWaalsContact C-N 3.26Å; P660-N662 PolarHBondContact O-N 3.47Å; N662-V665 PolarHBondContact O-N 2.65Å; N662-T666 WeakPolarHBondContact O-CB 3.42Å; N662-T666 PolarHBondContact O-N 3.39Å; N662-T666 PolarHBondContact O-OG1 3.41Å
663	I	73.7	Confident	65.7	Low	91 Å²	91	114.7 Å²	114.7	47%	0.467	61%	0.611	S	S	.	*	H	α-helix	trans	-65.6	-43.2	172.9	-59.4	174.2	0	0	0	110	I658 P660 V665 T666 I667	I658-I663 HydrophobicContact CG2-CD1 4.11Å; P660-I663 PolarHBondContact O-N 2.84Å; I663-V665 PolarHBondContact O-N 2.78Å; I663-T666 PolarHBondContact O-N 3.43Å; I663-I667 HydrophobicContact CG2-CD1 3.83Å; I663-I667 HydrophobicContact CG2-CG1 4.42Å; I663-I667 WeakPolarHBondContact O-CG1 3.31Å; I663-I667 PolarHBondContact O-N 3.14Å
664	I	79.4	Confident	68.2	Low	85 Å²	85	111.8 Å²	111.8	44%	0.436	59%	0.591	S	S	.	*	H	α-helix	trans	-62.2	-42.5	177.9	-63.7	170	0	0	0	111.2	P660 M661 I667 K668	P660-I664 PolarHBondContact O-N 2.71Å; M661-I664 PolarHBondContact O-N 3.1Å; I664-I667 PolarHBondContact O-N 3.19Å; I664-K668 HydrophobicContact CG2-CD 4.32Å; I664-K668 WeakPolarHBondContact O-CB 3.39Å; I664-K668 WeakPolarHBondContact O-CG 3.36Å; I664-K668 PolarHBondContact O-N 2.71Å
665	V	84.1	Confident	70.6	Confident	87 Å²	87	107.8 Å²	107.8	53%	0.527	58%	0.579	S	S	.	*	H	α-helix	trans	-62.9	-43.1	175.2	174.2	0	0	0	0	111.1	M661 N662 I663 K668 L669	M661-V665 WeakPolarHBondContact O-CG2 3.29Å; M661-V665 PolarHBondContact O-N 3.08Å; M661-V665 VanDerWaalsContact O-N 3.14Å; N662-V665 PolarHBondContact O-N 2.65Å; I663-V665 PolarHBondContact O-N 2.78Å; V665-K668 PolarHBondContact O-N 3.46Å; V665-L669 PolarHBondContact O-N 2.94Å
666	T	81.8	Confident	73.4	Confident	67 Å²	67	103.3 Å²	103.3	41%	0.411	56%	0.557	S	S	.	*	H	α-helix	trans	-62.1	-45.2	177.8	-56	0	0	0	0	112	N662 I663 L669 Q670	N662-T666 WeakPolarHBondContact O-CB 3.42Å; N662-T666 PolarHBondContact O-N 3.39Å; N662-T666 PolarHBondContact O-OG1 3.41Å; I663-T666 PolarHBondContact O-N 3.43Å; T666-L669 PolarHBondContact O-N 3.35Å; T666-Q670 WeakPolarHBondContact O-CG 3.49Å; T666-Q670 PolarHBondContact O-N 3.48Å
667	I	84.2	Confident	75.7	Confident	86 Å²	86	103.1 Å²	103.1	44%	0.441	54%	0.539	S	S	.	.	H	α-helix	trans	-63.7	-43	176.8	-68.5	168.7	0	0	0	111	I663 I664 L669 Q670 L671	I663-I667 HydrophobicContact CG2-CD1 3.83Å; I663-I667 HydrophobicContact CG2-CG1 4.42Å; I663-I667 WeakPolarHBondContact O-CG1 3.31Å; I663-I667 PolarHBondContact O-N 3.14Å; I664-I667 PolarHBondContact O-N 3.19Å; I667-L669 PolarHBondContact O-N 3.33Å; I667-Q670 PolarHBondContact O-N 2.88Å; I667-L671 HydrophobicContact CG2-CD1 3.99Å; I667-L671 HydrophobicContact CG2-CG 4.49Å; I667-L671 WeakPolarHBondContact O-CG 3.45Å; I667-L671 PolarHBondContact O-N 3.31Å
668	K	85.4	Confident	77.8	Confident	135 Å²	135	100.4 Å²	100.4	59%	0.587	52%	0.523	S	S	*	.	H	α-helix	trans	-58.2	-47.3	174.7	-77.2	177	177.8	-177.3	0	111.3	I664 V665 Q670 L671 V672	I664-K668 HydrophobicContact CG2-CD 4.32Å; I664-K668 WeakPolarHBondContact O-CB 3.39Å; I664-K668 WeakPolarHBondContact O-CG 3.36Å; I664-K668 PolarHBondContact O-N 2.71Å; V665-K668 PolarHBondContact O-N 3.46Å; K668-Q670 PolarHBondContact O-N 2.83Å; K668-L671 PolarHBondContact O-N 3.42Å; K668-V672 WeakPolarHBondContact O-CG2 3.35Å; K668-V672 PolarHBondContact O-N 2.91Å
669	L	85.3	Confident	80	Confident	104 Å²	104	100.7 Å²	100.7	55%	0.545	52%	0.515	S	S	.	.	H	α-helix	trans	-63	-41.7	178.6	-174.7	63.6	0	0	0	112.1	V665 T666 I667 V672 L673	V665-L669 PolarHBondContact O-N 2.94Å; T666-L669 PolarHBondContact O-N 3.35Å; I667-L669 PolarHBondContact O-N 3.33Å; L669-V672 PolarHBondContact O-N 3.45Å; L669-L673 HydrophobicContact CD1-CD1 4.49Å; L669-L673 HydrophobicContact CG-CD1 4.1Å; L669-L673 WeakPolarHBondContact O-CB 3.41Å; L669-L673 WeakPolarHBondContact O-CG 3.42Å; L669-L673 PolarHBondContact O-N 3.43Å
670	Q	85.5	Confident	82.1	Confident	98 Å²	98	101 Å²	101	46%	0.458	51%	0.511	S	S	.	.	H	α-helix	trans	-64.1	-39.5	175.7	-73.9	-178.1	0.5	0	0	112.9	T666 I667 K668 L673 R674	T666-Q670 WeakPolarHBondContact O-CG 3.49Å; T666-Q670 PolarHBondContact O-N 3.48Å; I667-Q670 PolarHBondContact O-N 2.88Å; K668-Q670 PolarHBondContact O-N 2.83Å; Q670-L673 PolarHBondContact O-N 3.13Å; Q670-R674 WeakPolarHBondContact O-CB 3.19Å; Q670-R674 WeakPolarHBondContact O-CG 3.31Å; Q670-R674 PolarHBondContact O-N 3.37Å
671	L	87.1	Confident	83.5	Confident	99 Å²	99	101.4 Å²	101.4	52%	0.518	51%	0.512	S	S	.	.	H	α-helix	trans	-63.8	-46	174	-74.9	167.9	0	0	0	111.2	I667 K668 L673 R674 T675	I667-L671 HydrophobicContact CG2-CD1 3.99Å; I667-L671 HydrophobicContact CG2-CG 4.49Å; I667-L671 WeakPolarHBondContact O-CG 3.45Å; I667-L671 PolarHBondContact O-N 3.31Å; K668-L671 PolarHBondContact O-N 3.42Å; L671-L673 PolarHBondContact O-N 2.74Å; L671-R674 PolarHBondContact O-N 3.13Å; L671-T675 WeakPolarHBondContact O-CG2 3.49Å; L671-T675 PolarHBondContact O-N 2.64Å; L671-T675 PolarHBondContact O-OG1 3.46Å
672	V	88.5	Confident	85.1	Confident	86 Å²	86	98.2 Å²	98.2	52%	0.521	49%	0.493	S	S	.	.	H	α-helix	trans	-62	-40.2	176.5	171.1	0	0	0	0	112	K668 L669 T675 F676	K668-V672 WeakPolarHBondContact O-CG2 3.35Å; K668-V672 PolarHBondContact O-N 2.91Å; L669-V672 PolarHBondContact O-N 3.45Å; V672-T675 WeakPolarHBondContact CA-OG1 3.37Å; V672-T675 PolarHBondContact O-OG1 2.91Å; V672-T675 VanDerWaalsContact O-OG1 3.06Å; V672-F676 VanDerWaalsContact O-CB 3.23Å; V672-F676 WeakPolarHBondContact O-CB 3.39Å; V672-F676 PolarHBondContact O-N 3.01Å
673	L	88.3	Confident	85.8	Confident	96 Å²	96	94.6 Å²	94.6	50%	0.503	48%	0.475	S	S	.	.	H	α-helix	trans	-67.7	-38.9	176.4	-74.7	169.5	0	0	0	112.4	L669 Q670 L671 K677	L669-L673 HydrophobicContact CD1-CD1 4.49Å; L669-L673 HydrophobicContact CG-CD1 4.1Å; L669-L673 WeakPolarHBondContact O-CB 3.41Å; L669-L673 WeakPolarHBondContact O-CG 3.42Å; L669-L673 PolarHBondContact O-N 3.43Å; Q670-L673 PolarHBondContact O-N 3.13Å; L671-L673 PolarHBondContact O-N 2.74Å; L673-K677 WeakPolarHBondContact O-CB 3.47Å; L673-K677 WeakPolarHBondContact O-CG 3.5Å; L673-K677 PolarHBondContact O-N 2.92Å
674	R	87.6	Confident	86.2	Confident	136 Å²	136	95.4 Å²	95.4	51%	0.513	48%	0.477	S	S	.	.	H	α-helix	trans	-66.4	-45.2	174.5	-78.6	178.4	173.7	140.6	-0.8	112	Q670 L671 F676 K677 A678	Q670-R674 WeakPolarHBondContact O-CB 3.19Å; Q670-R674 WeakPolarHBondContact O-CG 3.31Å; Q670-R674 PolarHBondContact O-N 3.37Å; L671-R674 PolarHBondContact O-N 3.13Å; R674-F676 VanDerWaalsContact C-N 3.35Å; R674-F676 PolarHBondContact O-N 2.9Å; R674-K677 PolarHBondContact O-N 2.86Å; R674-A678 WeakPolarHBondContact O-CB 3.47Å; R674-A678 PolarHBondContact O-N 3.06Å
675	T	90.2	Very high	86.4	Confident	93 Å²	93	95.6 Å²	95.6	57%	0.571	48%	0.475	S	S	*	.	H	α-helix	trans	-65.7	-38.6	176.6	55.2	0	0	0	0	111.7	L671 V672 A678 W679	L671-T675 WeakPolarHBondContact O-CG2 3.49Å; L671-T675 PolarHBondContact O-N 2.64Å; L671-T675 PolarHBondContact O-OG1 3.46Å; V672-T675 WeakPolarHBondContact CA-OG1 3.37Å; V672-T675 PolarHBondContact O-OG1 2.91Å; V672-T675 VanDerWaalsContact O-OG1 3.06Å; T675-A678 PolarHBondContact O-N 3.32Å; T675-W679 VanDerWaalsContact O-CB 3.29Å; T675-W679 WeakPolarHBondContact O-CB 3.25Å; T675-W679 PolarHBondContact O-N 3.11Å
676	F	91.6	Very high	86.3	Confident	114 Å²	114	91.6 Å²	91.6	50%	0.5	45%	0.451	S	S	.	.	H	α-helix	trans	-63.9	-45	173.6	-177.1	-96.8	0	0	0	112.4	V672 R674 W679 F680	V672-F676 VanDerWaalsContact O-CB 3.23Å; V672-F676 WeakPolarHBondContact O-CB 3.39Å; V672-F676 PolarHBondContact O-N 3.01Å; R674-F676 VanDerWaalsContact C-N 3.35Å; R674-F676 PolarHBondContact O-N 2.9Å; F676-W679 HydrophobicContact CD2-CE3 4.05Å; F676-W679 HydrophobicContact CD2-CZ3 4.29Å; F676-W679 AromaticContact CE2-CE3 3.95Å; F676-W679 HydrophobicContact CE2-CE3 3.95Å; F676-W679 AromaticContact CE2-CZ3 3.74Å; F676-W679 HydrophobicContact CE2-CZ3 3.74Å; F676-W679 HydrophobicContact CZ-CZ3 4.4Å; F676-W679 PolarHBondContact O-N 2.9Å; F676-F680 WeakPolarHBondContact O-CB 3.43Å; F676-F680 PolarHBondContact O-N 3.09Å
677	K	87.3	Confident	86.5	Confident	89 Å²	89	92.7 Å²	92.7	39%	0.387	45%	0.454	S	S	.	.	H	α-helix	trans	-59.5	-46.4	173.8	-85.2	-170.4	168.7	-163.9	0	112.3	D620 L673 R674 W679 F680 T681	D620-K677 VanDerWaalsContact CG-NZ 3.3Å; D620-K677 IonicContact OD1-NZ 3.88Å; D620-K677 PolarHBondContact OD1-NZ 2.87Å; D620-K677 IonicContact OD2-NZ 3.36Å; D620-K677 PolarHBondContact OD2-NZ 2.96Å; L673-K677 WeakPolarHBondContact O-CB 3.47Å; L673-K677 WeakPolarHBondContact O-CG 3.5Å; L673-K677 PolarHBondContact O-N 2.92Å; R674-K677 PolarHBondContact O-N 2.86Å; K677-W679 VanDerWaalsContact C-N 3.35Å; K677-W679 PolarHBondContact O-N 3.24Å; K677-F680 PolarHBondContact O-N 3.36Å; K677-T681 WeakPolarHBondContact O-CB 3.31Å; K677-T681 PolarHBondContact O-N 2.89Å; K677-T681 PolarHBondContact O-OG1 3.35Å
678	A	86.8	Confident	86.4	Confident	51 Å²	51	92.1 Å²	92.1	42%	0.421	45%	0.452	S	S	.	.	H	α-helix	trans	-61.6	-43.6	177.7	0	0	0	0	0	111.5	R674 T675 Y682	R674-A678 WeakPolarHBondContact O-CB 3.47Å; R674-A678 PolarHBondContact O-N 3.06Å; T675-A678 PolarHBondContact O-N 3.32Å; A678-Y682 WeakPolarHBondContact O-CB 3.3Å; A678-Y682 PolarHBondContact O-N 3Å
679	W	90.7	Very high	86.3	Confident	149 Å²	149	85.9 Å²	85.9	56%	0.564	43%	0.425	S	S	*	.	H	α-helix	trans	-65.7	-41.8	175.9	174.8	80.7	0	0	0	113.1	T675 F676 K677 Y682 T683	T675-W679 VanDerWaalsContact O-CB 3.29Å; T675-W679 WeakPolarHBondContact O-CB 3.25Å; T675-W679 PolarHBondContact O-N 3.11Å; F676-W679 HydrophobicContact CD2-CE3 4.05Å; F676-W679 HydrophobicContact CD2-CZ3 4.29Å; F676-W679 AromaticContact CE2-CE3 3.95Å; F676-W679 HydrophobicContact CE2-CE3 3.95Å; F676-W679 AromaticContact CE2-CZ3 3.74Å; F676-W679 HydrophobicContact CE2-CZ3 3.74Å; F676-W679 HydrophobicContact CZ-CZ3 4.4Å; F676-W679 PolarHBondContact O-N 2.9Å; K677-W679 VanDerWaalsContact C-N 3.35Å; K677-W679 PolarHBondContact O-N 3.24Å; W679-Y682 PolarHBondContact O-N 2.97Å; W679-T683 HydrophobicContact CD2-CG2 4.3Å; W679-T683 HydrophobicContact CZ2-CG2 4.15Å; W679-T683 WeakPolarHBondContact O-CB 3.4Å; W679-T683 WeakPolarHBondContact O-CG2 3.5Å; W679-T683 PolarHBondContact O-N 3.45Å; W679-T683 PolarHBondContact O-OG1 3.46Å
680	F	87.7	Confident	86.4	Confident	122 Å²	122	84.2 Å²	84.2	54%	0.535	41%	0.412	S	S	.	.	H	α-helix	trans	-65.1	-45	176.2	-177.5	-99.2	0	0	0	111.6	F676 K677 Y682 T683 H684	F676-F680 WeakPolarHBondContact O-CB 3.43Å; F676-F680 PolarHBondContact O-N 3.09Å; K677-F680 PolarHBondContact O-N 3.36Å; F680-Y682 VanDerWaalsContact C-N 3.35Å; F680-Y682 PolarHBondContact O-N 3.16Å; F680-T683 WeakPolarHBondContact CA-OG1 3.42Å; F680-T683 PolarHBondContact O-N 3.01Å; F680-T683 PolarHBondContact O-OG1 3.45Å; F680-H684 VanDerWaalsContact O-CB 3.32Å; F680-H684 WeakPolarHBondContact O-CB 3.27Å; F680-H684 PolarHBondContact O-N 3.49Å
681	T	84.1	Confident	86.3	Confident	94 Å²	94	87.5 Å²	87.5	58%	0.577	43%	0.425	S	S	*	.	H	α-helix	trans	-61.4	-43.7	174.5	-61.5	0	0	0	0	111.2	K677 H685	K677-T681 WeakPolarHBondContact O-CB 3.31Å; K677-T681 PolarHBondContact O-N 2.89Å; K677-T681 PolarHBondContact O-OG1 3.35Å; T681-H685 WeakPolarHBondContact O-CB 3.22Å; T681-H685 PolarHBondContact O-N 3.07Å
682	Y	86.1	Confident	86	Confident	69 Å²	69	86.4 Å²	86.4	27%	0.271	42%	0.419	S	S	.	.	H	α-helix	trans	-62.7	-47.9	176.4	172.1	-105.2	0	0	0	112.4	I281 Y283 A678 W679 F680 H685 M686	I281-Y682 HydrophobicContact CB-CE2 4.49Å; I281-Y682 HydrophobicContact CG1-CE2 4.22Å; I281-Y682 HydrophobicContact CG2-CE2 3.78Å; Y283-Y682 PolarHBondContact OH-OH 2.89Å; A678-Y682 WeakPolarHBondContact O-CB 3.3Å; A678-Y682 PolarHBondContact O-N 3Å; W679-Y682 PolarHBondContact O-N 2.97Å; F680-Y682 VanDerWaalsContact C-N 3.35Å; F680-Y682 PolarHBondContact O-N 3.16Å; Y682-H685 PolarHBondContact O-N 3.31Å; Y682-M686 HydrophobicContact CD1-CG 4.39Å; Y682-M686 HydrophobicContact CD2-CG 3.97Å; Y682-M686 HydrophobicContact CE1-CG 3.93Å; Y682-M686 HydrophobicContact CE2-CE 4.1Å; Y682-M686 HydrophobicContact CE2-CG 3.44Å; Y682-M686 VanDerWaalsContact CE2-CG 3.44Å; Y682-M686 HydrophobicContact CE2-SD 3.85Å; Y682-M686 HydrophobicContact CG-CG 4.41Å; Y682-M686 VanDerWaalsContact CZ-CG 3.43Å; Y682-M686 WeakPolarHBondContact O-CB 3.02Å; Y682-M686 WeakPolarHBondContact O-CG 3.49Å; Y682-M686 PolarHBondContact O-N 2.91Å
683	T	85.7	Confident	85.8	Confident	36 Å²	36	82.3 Å²	82.3	22%	0.221	39%	0.394	C	S	.	.	H	α-helix	trans	-66.3	-40.3	179.7	48.8	0	0	0	0	112.1	W679 F680 M686 N687	W679-T683 HydrophobicContact CD2-CG2 4.3Å; W679-T683 HydrophobicContact CZ2-CG2 4.15Å; W679-T683 WeakPolarHBondContact O-CB 3.4Å; W679-T683 WeakPolarHBondContact O-CG2 3.5Å; W679-T683 PolarHBondContact O-N 3.45Å; W679-T683 PolarHBondContact O-OG1 3.46Å; F680-T683 WeakPolarHBondContact CA-OG1 3.42Å; F680-T683 PolarHBondContact O-N 3.01Å; F680-T683 PolarHBondContact O-OG1 3.45Å; T683-M686 PolarHBondContact O-N 2.85Å; T683-N687 WeakPolarHBondContact O-CB 3.36Å; T683-N687 VanDerWaalsContact O-CG 3.22Å; T683-N687 PolarHBondContact O-N 3.39Å; T683-N687 PolarHBondContact O-ND2 2.83Å
684	H	83.6	Confident	85.6	Confident	108 Å²	108	80.2 Å²	80.2	50%	0.5	39%	0.387	S	S	.	.	H	α-helix	trans	-62.7	-45.2	172	-179.5	-115.5	0	0	0	111.8	F680 N687 N688	F680-H684 VanDerWaalsContact O-CB 3.32Å; F680-H684 WeakPolarHBondContact O-CB 3.27Å; F680-H684 PolarHBondContact O-N 3.49Å; H684-N687 PolarHBondContact O-N 2.84Å; H684-N688 PolarHBondContact CE1-ND2 3.17Å; H684-N688 PolarHBondContact NE2-ND2 2.69Å; H684-N688 PolarHBondContact O-N 3.33Å; H684-N688 PolarHBondContact O-ND2 2.87Å
685	H	82.1	Confident	85.5	Confident	89 Å²	89	76.9 Å²	76.9	41%	0.412	39%	0.385	S	S	.	.	H	α-helix	trans	-61.3	-47.2	175.7	179	58.4	0	0	0	111.9	T681 Y682 N687 N688 V689	T681-H685 WeakPolarHBondContact O-CB 3.22Å; T681-H685 PolarHBondContact O-N 3.07Å; Y682-H685 PolarHBondContact O-N 3.31Å; H685-N687 VanDerWaalsContact C-N 3.33Å; H685-N687 PolarHBondContact O-N 2.86Å; H685-N688 PolarHBondContact O-N 2.69Å; H685-V689 WeakPolarHBondContact O-CG2 3.36Å; H685-V689 PolarHBondContact O-N 3.44Å
686	M	83.7	Confident	85.3	Confident	3 Å²	3	72.8 Å²	72.8	2%	0.015	36%	0.359	C	S	.	.	H	α-helix	trans	-62	-37.3	176	-72.6	-61.4	98.9	0	0	112.7	I281 Y682 T683 V689 R690	I281-M686 HydrophobicContact CD1-CE 3.47Å; I281-M686 VanDerWaalsContact CD1-CE 3.47Å; I281-M686 HydrophobicContact CD1-SD 4.38Å; I281-M686 HydrophobicContact CG1-CE 4.3Å; Y682-M686 HydrophobicContact CD1-CG 4.39Å; Y682-M686 HydrophobicContact CD2-CG 3.97Å; Y682-M686 HydrophobicContact CE1-CG 3.93Å; Y682-M686 HydrophobicContact CE2-CE 4.1Å; Y682-M686 HydrophobicContact CE2-CG 3.44Å; Y682-M686 VanDerWaalsContact CE2-CG 3.44Å; Y682-M686 HydrophobicContact CE2-SD 3.85Å; Y682-M686 HydrophobicContact CG-CG 4.41Å; Y682-M686 VanDerWaalsContact CZ-CG 3.43Å; Y682-M686 WeakPolarHBondContact O-CB 3.02Å; Y682-M686 WeakPolarHBondContact O-CG 3.49Å; Y682-M686 PolarHBondContact O-N 2.91Å; T683-M686 PolarHBondContact O-N 2.85Å; M686-V689 HydrophobicContact CE-CB 4.46Å; M686-V689 HydrophobicContact CE-CG2 4.13Å; M686-V689 PolarHBondContact O-N 3.27Å; M686-R690 WeakPolarHBondContact O-CB 3.43Å; M686-R690 WeakPolarHBondContact O-CG 3.24Å; M686-R690 PolarHBondContact O-N 3.46Å
687	N	84.3	Confident	85.1	Confident	89 Å²	89	67.8 Å²	67.8	48%	0.476	34%	0.338	S	S	.	.	H	α-helix	trans	-66.6	-37.5	174.9	-74.3	-15.5	0	0	0	112.2	T683 H684 H685 R690 K691	T683-N687 WeakPolarHBondContact O-CB 3.36Å; T683-N687 VanDerWaalsContact O-CG 3.22Å; T683-N687 PolarHBondContact O-N 3.39Å; T683-N687 PolarHBondContact O-ND2 2.83Å; H684-N687 PolarHBondContact O-N 2.84Å; H685-N687 VanDerWaalsContact C-N 3.33Å; H685-N687 PolarHBondContact O-N 2.86Å; N687-R690 PolarHBondContact OD1-NH1 3.41Å; N687-K691 WeakPolarHBondContact O-CB 3.48Å; N687-K691 PolarHBondContact O-N 3.42Å
688	N	82.3	Confident	85	Confident	74 Å²	74	65.5 Å²	65.5	40%	0.396	33%	0.33	S	S	.	.	H	α-helix	trans	-68.5	-42.4	173.1	-70.4	-36.1	0	0	0	112.1	H684 H685 K691 L692	H684-N688 PolarHBondContact CE1-ND2 3.17Å; H684-N688 PolarHBondContact NE2-ND2 2.69Å; H684-N688 PolarHBondContact O-N 3.33Å; H684-N688 PolarHBondContact O-ND2 2.87Å; H685-N688 PolarHBondContact O-N 2.69Å; N688-K691 PolarHBondContact O-N 2.95Å; N688-L692 VanDerWaalsContact O-CB 3.31Å; N688-L692 WeakPolarHBondContact O-CB 3.39Å; N688-L692 PolarHBondContact O-N 2.93Å
689	V	84.2	Confident	84.5	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.024	33%	0.327	C	S	.	.	H	α-helix	trans	-57.9	-47.9	173	166	0	0	0	0	111	H685 M686 L692 L693 I983	H685-V689 WeakPolarHBondContact O-CG2 3.36Å; H685-V689 PolarHBondContact O-N 3.44Å; M686-V689 HydrophobicContact CE-CB 4.46Å; M686-V689 HydrophobicContact CE-CG2 4.13Å; M686-V689 PolarHBondContact O-N 3.27Å; V689-L692 PolarHBondContact O-N 2.9Å; V689-L693 HydrophobicContact CG1-CD1 3.96Å; V689-L693 WeakPolarHBondContact O-CB 3.42Å; V689-L693 WeakPolarHBondContact O-CG 3.34Å; V689-L693 PolarHBondContact O-N 3.39Å; V689-I983 HydrophobicContact CB-CD1 4.43Å; V689-I983 HydrophobicContact CG1-CD1 4.22Å; V689-I983 HydrophobicContact CG1-CG2 4.11Å; V689-I983 HydrophobicContact CG2-CD1 3.94Å; V689-I983 HydrophobicContact CG2-CG1 4.11Å; V689-I983 HydrophobicContact CG2-CG2 4.36Å
690	R	86.2	Confident	83.3	Confident	69 Å²	69	62 Å²	62	26%	0.26	32%	0.316	S	S	.	.	H	α-helix	trans	-60	-46.9	175.4	-73	167.1	-175.4	145	-1.4	111.6	M686 N687 L692 S694 L1095	M686-R690 WeakPolarHBondContact O-CB 3.43Å; M686-R690 WeakPolarHBondContact O-CG 3.24Å; M686-R690 PolarHBondContact O-N 3.46Å; N687-R690 PolarHBondContact OD1-NH1 3.41Å; R690-L692 VanDerWaalsContact C-N 3.31Å; R690-L692 PolarHBondContact O-N 3.44Å; R690-S694 WeakPolarHBondContact O-CB 3.35Å; R690-S694 PolarHBondContact O-N 2.82Å; R690-S694 PolarHBondContact O-OG 3.35Å; R690-L1095 WeakPolarHBondContact CG-O 3.34Å
691	K	83.2	Confident	81.7	Confident	168 Å²	168	64.2 Å²	64.2	73%	0.73	33%	0.333	S	S	*	.	H	α-helix	trans	-60.7	-40.1	178.5	-173.9	178.3	178.2	-177.5	0	112.1	N687 N688 S694	N687-K691 WeakPolarHBondContact O-CB 3.48Å; N687-K691 PolarHBondContact O-N 3.42Å; N688-K691 PolarHBondContact O-N 2.95Å; K691-S694 PolarHBondContact O-OG 3.24Å
692	L	81.2	Confident	80.1	Confident	76 Å²	76	63.7 Å²	63.7	40%	0.398	33%	0.33	S	S	.	.	H	α-helix	trans	-78	-38.6	-177	-172.6	60.5	0	0	0	113.3	N688 V689 R690 I983	N688-L692 VanDerWaalsContact O-CB 3.31Å; N688-L692 WeakPolarHBondContact O-CB 3.39Å; N688-L692 PolarHBondContact O-N 2.93Å; V689-L692 PolarHBondContact O-N 2.9Å; R690-L692 VanDerWaalsContact C-N 3.31Å; R690-L692 PolarHBondContact O-N 3.44Å; L692-I983 HydrophobicContact CD2-CD1 4.28Å
693	L	85.9	Confident	78.3	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-95.7	-16.5	-175.2	-61.2	-174.8	0	0	0	114.6	V689 S695 L696 L980 I983 V1092 T1096	V689-L693 HydrophobicContact CG1-CD1 3.96Å; V689-L693 WeakPolarHBondContact O-CB 3.42Å; V689-L693 WeakPolarHBondContact O-CG 3.34Å; V689-L693 PolarHBondContact O-N 3.39Å; L693-S695 PolarHBondContact O-N 2.72Å; L693-L696 HydrophobicContact CD2-CD1 3.86Å; L693-L696 WeakPolarHBondContact O-CB 3.42Å; L693-L696 PolarHBondContact O-N 3.26Å; L693-L980 HydrophobicContact CD2-CD2 3.9Å; L693-L980 HydrophobicContact CD2-CG 4.37Å; L693-I983 HydrophobicContact CD1-CD1 3.76Å; L693-I983 HydrophobicContact CD1-CG2 4.12Å; L693-I983 HydrophobicContact CD2-CD1 4.02Å; L693-I983 HydrophobicContact CG-CD1 3.84Å; L693-V1092 HydrophobicContact CB-CG1 3.84Å; L693-V1092 HydrophobicContact CD1-CG1 4.04Å; L693-V1092 HydrophobicContact CD1-CG2 4.3Å; L693-V1092 HydrophobicContact CG-CG1 4.48Å; L693-T1096 HydrophobicContact CB-CG2 3.57Å
694	S	83.6	Confident	76.3	Confident	51 Å²	51	69.9 Å²	69.9	36%	0.357	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-62.9	-23.5	-177.9	51.3	0	0	0	0	114.4	R690 K691 L696	R690-S694 WeakPolarHBondContact O-CB 3.35Å; R690-S694 PolarHBondContact O-N 2.82Å; R690-S694 PolarHBondContact O-OG 3.35Å; K691-S694 PolarHBondContact O-OG 3.24Å; S694-L696 VanDerWaalsContact C-N 3.3Å
695	S	84.3	Confident	74.3	Confident	66 Å²	66	70.3 Å²	70.3	46%	0.462	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-73.4	-20.9	173.2	55.9	0	0	0	0	113.6	L693	L693-S695 PolarHBondContact O-N 2.72Å
696	L	87.3	Confident	72.6	Confident	7 Å²	7	67.4 Å²	67.4	4%	0.037	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-87.1	-10.1	-174.5	-58.1	-175.5	0	0	0	113.5	L693 S694 Y976 L980 S1036 L1041	L693-L696 HydrophobicContact CD2-CD1 3.86Å; L693-L696 WeakPolarHBondContact O-CB 3.42Å; L693-L696 PolarHBondContact O-N 3.26Å; S694-L696 VanDerWaalsContact C-N 3.3Å; L696-Y976 HydrophobicContact CD1-CD1 4.27Å; L696-Y976 HydrophobicContact CD1-CG 4.43Å; L696-Y976 HydrophobicContact CD2-CD1 3.77Å; L696-Y976 HydrophobicContact CD2-CD2 3.81Å; L696-Y976 HydrophobicContact CD2-CE1 3.95Å; L696-Y976 HydrophobicContact CD2-CE2 3.98Å; L696-Y976 HydrophobicContact CD2-CG 3.71Å; L696-Y976 HydrophobicContact CG-CD1 4.38Å; L696-L980 HydrophobicContact CD1-CD1 4.14Å; L696-L980 HydrophobicContact CD1-CD2 4.07Å; L696-L980 HydrophobicContact CD1-CG 4.02Å; L696-S1036 VanDerWaalsContact O-CB 3.24Å; L696-S1036 WeakPolarHBondContact O-CB 3.42Å; L696-S1036 PolarHBondContact O-OG 3.1Å; L696-L1041 HydrophobicContact CD2-CD1 3.72Å
697	V	87.3	Confident	71	Confident	9 Å²	9	70.2 Å²	70.2	6%	0.055	38%	0.382	C	S	.	.	S	Bend	trans	-132.5	142.8	-173.1	159.4	0	0	0	0	111	V1035 F1042 V1092 Q1093	V697-V1035 WeakPolarHBondContact CA-O 3.32Å; V697-F1042 HydrophobicContact CG2-CE2 4.49Å; V697-F1042 HydrophobicContact CG2-CZ 4.07Å; V697-V1092 HydrophobicContact CB-CG1 4.48Å; V697-V1092 HydrophobicContact CG2-CB 3.98Å; V697-V1092 HydrophobicContact CG2-CG1 3.61Å; V697-Q1093 HydrophobicContact CG1-CB 3.75Å; V697-Q1093 HydrophobicContact CG1-CG 3.5Å; V697-Q1093 HydrophobicContact CG2-CG 4.21Å
698	I	84.7	Confident	69.4	Low	42 Å²	42	69.7 Å²	69.7	22%	0.215	38%	0.376	C	S	.	.			trans	-84.9	119.5	169.6	-60.5	173.2	0	0	0	108.5	S700 E1032 V1035 K1037 Q1093	I698-S700 PolarHBondContact O-N 3.02Å; I698-E1032 WeakPolarHBondContact CD1-O 3.49Å; I698-V1035 PolarHBondContact N-O 3.46Å; I698-K1037 HydrophobicContact CD1-CG 4.43Å; I698-K1037 HydrophobicContact CG1-CG 4.44Å; I698-Q1093 PolarHBondContact O-NE2 3.38Å
699	H	76.4	Confident	68	Low	79 Å²	79	72.8 Å²	72.8	37%	0.366	39%	0.393	S	S	.	.			trans	-87.5	98.4	170.4	-66.4	-79.5	0	0	0	108.7	T1096 N1097	H699-T1096 VanDerWaalsContact CE1-C 3.47Å; H699-T1096 VanDerWaalsContact CE1-CB 3.42Å; H699-T1096 WeakPolarHBondContact CE1-CB 3.38Å; H699-T1096 PolarHBondContact CE1-OG1 3.26Å; H699-T1096 PolarHBondContact NE2-OG1 3.12Å; H699-N1097 PolarHBondContact CE1-OD1 3.39Å; H699-N1097 PolarHBondContact ND1-OD1 2.68Å
700	S	65.3	Low	66.7	Low	47 Å²	47	78.7 Å²	78.7	33%	0.329	42%	0.42	S	S	.	.			trans	-107.3	129.7	168.5	73.4	0	0	0	0	109.9	I698 V702	I698-S700 PolarHBondContact O-N 3.02Å; S700-V702 PolarHBondContact O-N 2.85Å; S700-V702 VanDerWaalsContact O-N 3.15Å
701	D	53.2	Low	65.7	Low	169 Å²	169	77.9 Å²	77.9	90%	0.904	42%	0.417	S	S	*	.	S	Bend	trans	-68.2	-8.4	178.4	-58.5	-48	0	0	0	112.9	K703	D701-K703 PolarHBondContact O-N 3.21Å; D701-K703 VanDerWaalsContact O-N 3.12Å
702	V	51.6	Low	65.3	Low	83 Å²	83	76.9 Å²	76.9	50%	0.503	42%	0.415	S	S	.	.	S	Bend	trans	-70.8	105.9	174.6	-175.9	0	0	0	0	108.5	S700 C704	S700-V702 PolarHBondContact O-N 2.85Å; S700-V702 VanDerWaalsContact O-N 3.15Å; V702-C704 PolarHBondContact O-N 2.95Å; V702-C704 VanDerWaalsContact O-N 3.09Å
703	K	47.3	Very low	65.5	Low	171 Å²	171	78.9 Å²	78.9	74%	0.743	42%	0.421	S	S	*	.			trans	-52.4	119.2	172.4	-59.6	178.4	176.6	175.2	0	109.1	D701 T705	D701-K703 PolarHBondContact O-N 3.21Å; D701-K703 VanDerWaalsContact O-N 3.12Å; K703-T705 HydrophobicContact CB-CG2 3.64Å; K703-T705 HydrophobicContact CD-CG2 4.26Å; K703-T705 PolarHBondContact O-N 2.93Å; K703-T705 PolarHBondContact O-OG1 3.21Å
704	C	45.5	Very low	65.7	Low	63 Å²	63	78.9 Å²	78.9	43%	0.426	42%	0.421	S	S	.	.			trans	-73.3	72	169.4	-160.6	0	0	0	0	109.1	V702 S706 Y743	V702-C704 PolarHBondContact O-N 2.95Å; V702-C704 VanDerWaalsContact O-N 3.09Å; C704-S706 VanDerWaalsContact C-N 3.3Å; C704-S706 PolarHBondContact O-N 2.9Å; C704-S706 VanDerWaalsContact O-N 3.14Å; C704-Y743 PolarHBondContact SG-OH 3.35Å
705	T	41.7	Very low	66	Low	118 Å²	118	79 Å²	79	72%	0.724	42%	0.419	S	S	*	.			trans	-86.1	62.6	-173.9	37.5	0	0	0	0	112.3	K703	K703-T705 HydrophobicContact CB-CG2 3.64Å; K703-T705 HydrophobicContact CD-CG2 4.26Å; K703-T705 PolarHBondContact O-N 2.93Å; K703-T705 PolarHBondContact O-OG1 3.21Å
706	S	44.8	Very low	66.1	Low	28 Å²	28	80.9 Å²	80.9	20%	0.196	42%	0.419	C	S	.	.	S	Bend	trans	-156.7	138.4	171.7	37.9	0	0	0	0	109.1	C704 Y711	C704-S706 VanDerWaalsContact C-N 3.3Å; C704-S706 PolarHBondContact O-N 2.9Å; C704-S706 VanDerWaalsContact O-N 3.14Å; S706-Y711 VanDerWaalsContact OG-CE2 3.25Å; S706-Y711 WeakPolarHBondContact OG-CE2 3.45Å; S706-Y711 PolarHBondContact OG-OH 2.96Å
707	S	50.7	Low	66.1	Low	61 Å²	61	88.1 Å²	88.1	43%	0.427	45%	0.453	S	S	.	.			trans	-67	148.7	171.3	46.6	0	0	0	0	109.8	D709 Q710	S707-D709 PolarHBondContact O-N 2.62Å; S707-Q710 PolarHBondContact O-N 3.12Å
708	F	51.3	Low	66.1	Low	78 Å²	78	89.6 Å²	89.6	34%	0.342	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-48.1	-31.8	179.3	-68.3	-79.6	0	0	0	113.3	Q710 Y743 R1086 K1090	F708-Q710 VanDerWaalsContact C-N 3.33Å; F708-Q710 PolarHBondContact O-N 2.82Å; F708-Y743 HydrophobicContact CD1-CD1 4.11Å; F708-Y743 AromaticContact CD1-CE1 3.94Å; F708-Y743 HydrophobicContact CD1-CE1 3.94Å; F708-Y743 HydrophobicContact CE1-CE1 4.14Å; F708-R1086 HydrophobicContact CE1-CB 4.15Å; F708-K1090 HydrophobicContact CZ-CD 4.05Å
709	D	51.8	Low	66.3	Low	140 Å²	140	87.8 Å²	87.8	75%	0.749	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-75.6	-2.1	-178.6	-52.8	-76.6	0	0	0	116.4	S707	S707-D709 PolarHBondContact O-N 2.62Å
710	Q	58.5	Low	66.9	Low	127 Å²	127	86.5 Å²	86.5	59%	0.593	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-89.3	-14.9	-174.2	-79.9	179.3	-7.5	0	0	115.4	S707 F708	S707-Q710 PolarHBondContact O-N 3.12Å; F708-Q710 VanDerWaalsContact C-N 3.33Å; F708-Q710 PolarHBondContact O-N 2.82Å
711	Y	64	Low	67.9	Low	52 Å²	52	90.6 Å²	90.6	20%	0.204	46%	0.459	C	S	.	.			trans	-98.4	102.4	-178.5	-67.1	-91.8	0	0	0	111.5	S706 E739 Y743	S706-Y711 VanDerWaalsContact OG-CE2 3.25Å; S706-Y711 WeakPolarHBondContact OG-CE2 3.45Å; S706-Y711 PolarHBondContact OG-OH 2.96Å; Y711-E739 HydrophobicContact CE1-CB 3.88Å; Y711-E739 PolarHBondContact OH-OE2 3.17Å; Y711-Y743 HydrophobicContact CD1-CD2 4.46Å; Y711-Y743 AromaticContact CD2-CD2 3.48Å; Y711-Y743 HydrophobicContact CD2-CD2 3.48Å; Y711-Y743 VanDerWaalsContact CD2-CD2 3.48Å; Y711-Y743 HydrophobicContact CD2-CE2 4.27Å; Y711-Y743 AromaticContact CD2-CG 3.79Å; Y711-Y743 HydrophobicContact CD2-CG 3.79Å; Y711-Y743 AromaticContact CE2-CD2 3.56Å; Y711-Y743 HydrophobicContact CE2-CD2 3.56Å; Y711-Y743 AromaticContact CE2-CE2 3.91Å; Y711-Y743 HydrophobicContact CE2-CE2 3.91Å; Y711-Y743 HydrophobicContact CE2-CG 4.28Å; Y711-Y743 AromaticContact CG-CD2 3.96Å; Y711-Y743 HydrophobicContact CG-CD2 3.96Å; Y711-Y743 HydrophobicContact CG-CG 4.25Å
712	E	75	Confident	69.3	Low	148 Å²	148	84.4 Å²	84.4	69%	0.692	43%	0.425	S	S	*	.			trans	-65.1	149.8	165.8	-61.4	-178.5	158.1	0	0	111.6	K718	E712-K718 PolarHBondContact O-NZ 3.08Å
713	K	85.3	Confident	71	Confident	118 Å²	118	80.6 Å²	80.6	51%	0.513	40%	0.402	S	S	.	.			trans	-44	147.2	173	-82	179.9	179	-164.4	0	112.1	T715 G744 G745 V747	K713-T715 PolarHBondContact O-N 2.93Å; K713-G744 WeakPolarHBondContact CG-O 3.48Å; K713-G745 WeakPolarHBondContact CA-O 3.49Å; K713-V747 HydrophobicContact CB-CG2 4.47Å
714	L	89.3	Confident	72.8	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-69.8	96.7	171.3	-174.6	65.6	0	0	0	109.3	K718 W719 I737 I741 G745 V747 L750 V754	L714-K718 HydrophobicContact CD1-CB 4.41Å; L714-K718 HydrophobicContact CD1-CG 4.38Å; L714-W719 HydrophobicContact CD1-CB 4.17Å; L714-W719 HydrophobicContact CD2-CE3 4Å; L714-W719 HydrophobicContact CG-CB 4.41Å; L714-I737 HydrophobicContact CD2-CG2 4.27Å; L714-I741 HydrophobicContact CB-CG1 4.24Å; L714-I741 HydrophobicContact CD2-CD1 3.81Å; L714-I741 HydrophobicContact CD2-CG1 3.78Å; L714-G745 PolarHBondContact N-O 2.69Å; L714-V747 WeakPolarHBondContact O-CG2 3.35Å; L714-V747 PolarHBondContact O-N 3.39Å; L714-L750 HydrophobicContact CG-CD1 4.12Å; L714-L750 WeakPolarHBondContact O-CD1 3.28Å; L714-V754 HydrophobicContact CD2-CG2 4.09Å
715	T	89.9	Confident	74.6	Confident	52 Å²	52	78.2 Å²	78.2	32%	0.319	40%	0.395	S	S	.	.			trans	-86.1	164.3	172.8	63.5	0	0	0	0	111	K713 E717 K718 W719	K713-T715 PolarHBondContact O-N 2.93Å; T715-E717 VanDerWaalsContact C-N 3.26Å; T715-E717 PolarHBondContact O-N 3.39Å; T715-K718 PolarHBondContact O-N 3.32Å; T715-K718 WeakPolarHBondContact OG1-CB 3.38Å; T715-K718 PolarHBondContact OG1-N 3.49Å; T715-W719 WeakPolarHBondContact O-CB 3.4Å; T715-W719 PolarHBondContact O-N 3.3Å
716	K	87.5	Confident	76.5	Confident	107 Å²	107	75.1 Å²	75.1	47%	0.465	37%	0.374	S	S	.	.	H	α-helix	trans	-60.9	-34.7	177.8	-170.7	159.4	-171.4	148.9	0	113	N720 L750 E753	K716-N720 WeakPolarHBondContact O-CB 2.95Å; K716-N720 PolarHBondContact O-N 3.27Å; K716-N720 PolarHBondContact O-ND2 3.35Å; K716-L750 HydrophobicContact CB-CD2 4.19Å; K716-L750 HydrophobicContact CD-CD2 4.47Å; K716-L750 HydrophobicContact CG-CD2 4.16Å; K716-E753 IonicContact NZ-OE1 3.91Å
717	E	87.6	Confident	77.8	Confident	159 Å²	159	80.4 Å²	80.4	74%	0.743	41%	0.407	S	S	*	.	H	α-helix	trans	-63.1	-49.6	174.3	-63.2	174.3	171.8	0	0	111.1	T715 W719 N720 E721	T715-E717 VanDerWaalsContact C-N 3.26Å; T715-E717 PolarHBondContact O-N 3.39Å; E717-W719 PolarHBondContact O-N 3.04Å; E717-N720 WeakPolarHBondContact O-CB 3.39Å; E717-N720 PolarHBondContact O-N 2.68Å; E717-E721 PolarHBondContact O-N 3.3Å
718	K	86.9	Confident	79	Confident	39 Å²	39	81.3 Å²	81.3	17%	0.17	41%	0.407	C	S	.	.	H	α-helix	trans	-68.3	-33.9	179.8	-165.8	171.5	-175	178.8	0	112.8	E712 L714 T715 L722 C740	E712-K718 PolarHBondContact O-NZ 3.08Å; L714-K718 HydrophobicContact CD1-CB 4.41Å; L714-K718 HydrophobicContact CD1-CG 4.38Å; T715-K718 PolarHBondContact O-N 3.32Å; T715-K718 WeakPolarHBondContact OG1-CB 3.38Å; T715-K718 PolarHBondContact OG1-N 3.49Å; K718-L722 HydrophobicContact CG-CD1 3.88Å; K718-L722 HydrophobicContact CG-CG 4.27Å; K718-L722 VanDerWaalsContact O-CB 3.23Å; K718-L722 WeakPolarHBondContact O-CB 3.34Å; K718-L722 VanDerWaalsContact O-CG 3.25Å; K718-L722 WeakPolarHBondContact O-CG 3.36Å; K718-L722 PolarHBondContact O-N 3.39Å; K718-C740 WeakPolarHBondContact CE-SG 3.26Å
719	W	89.6	Confident	80.1	Confident	4 Å²	4	79.9 Å²	79.9	2%	0.015	40%	0.401	C	S	.	.	H	α-helix	trans	-64.8	-41.2	170.3	175	-114.8	0	0	0	112	L714 T715 E717 F723 V724 I737 L750 E753 V754 Y757 W764	L714-W719 HydrophobicContact CD1-CB 4.17Å; L714-W719 HydrophobicContact CD2-CE3 4Å; L714-W719 HydrophobicContact CG-CB 4.41Å; T715-W719 WeakPolarHBondContact O-CB 3.4Å; T715-W719 PolarHBondContact O-N 3.3Å; E717-W719 PolarHBondContact O-N 3.04Å; W719-F723 HydrophobicContact CE3-CB 4.32Å; W719-F723 AromaticContact CH2-CD1 3.71Å; W719-F723 HydrophobicContact CH2-CD1 3.71Å; W719-F723 HydrophobicContact CH2-CE1 4.18Å; W719-F723 HydrophobicContact CH2-CG 4.33Å; W719-F723 AromaticContact CZ2-CD1 3.64Å; W719-F723 HydrophobicContact CZ2-CD1 3.64Å; W719-F723 HydrophobicContact CZ2-CE1 4.12Å; W719-F723 HydrophobicContact CZ3-CB 4.36Å; W719-F723 HydrophobicContact CZ3-CD1 4.28Å; W719-F723 HydrophobicContact CZ3-CG 4.49Å; W719-F723 PolarHBondContact O-N 3.02Å; W719-V724 PolarHBondContact O-N 3.43Å; W719-I737 HydrophobicContact CE3-CD1 4.37Å; W719-I737 HydrophobicContact CZ3-CD1 3.92Å; W719-I737 HydrophobicContact CZ3-CG2 4.11Å; W719-L750 HydrophobicContact CB-CD1 3.8Å; W719-L750 HydrophobicContact CB-CD2 4.49Å; W719-L750 HydrophobicContact CG-CD1 4.21Å; W719-L750 HydrophobicContact CG-CD2 4.29Å; W719-E753 PolarHBondContact NE1-OE2 3.25Å; W719-E753 VanDerWaalsContact NE1-OE2 3.12Å; W719-V754 HydrophobicContact CD2-CG2 4.13Å; W719-V754 HydrophobicContact CE3-CG2 3.98Å; W719-V754 HydrophobicContact CH2-CG2 3.89Å; W719-V754 HydrophobicContact CZ2-CG2 4.04Å; W719-V754 HydrophobicContact CZ3-CG2 3.84Å; W719-Y757 HydrophobicContact CH2-CD2 4.04Å; W719-Y757 HydrophobicContact CH2-CE2 4.22Å; W719-Y757 HydrophobicContact CZ2-CD2 4.36Å; W719-Y757 HydrophobicContact CZ2-CE2 4.14Å; W719-W764 HydrophobicContact CH2-CH2 4.4Å; W719-W764 AromaticContact CH2-CZ3 3.94Å; W719-W764 HydrophobicContact CH2-CZ3 3.94Å; W719-W764 HydrophobicContact CZ3-CH2 4.31Å; W719-W764 HydrophobicContact CZ3-CZ3 4.03Å
720	N	88.2	Confident	81.2	Confident	53 Å²	53	81 Å²	81	28%	0.283	40%	0.399	S	S	.	.	I	π-helix	trans	-65.3	-43.9	175.5	-69.6	-21.2	0	0	0	111.6	K716 E717 V724 N725	K716-N720 WeakPolarHBondContact O-CB 2.95Å; K716-N720 PolarHBondContact O-N 3.27Å; K716-N720 PolarHBondContact O-ND2 3.35Å; E717-N720 WeakPolarHBondContact O-CB 3.39Å; E717-N720 PolarHBondContact O-N 2.68Å; N720-V724 HydrophobicContact CB-CB 4.4Å; N720-V724 PolarHBondContact O-N 3.43Å; N720-V724 WeakPolarHBondContact OD1-CG2 3.41Å; N720-N725 VanDerWaalsContact O-CB 3.26Å; N720-N725 WeakPolarHBondContact O-CB 3.25Å; N720-N725 VanDerWaalsContact O-CG 3.22Å; N720-N725 PolarHBondContact O-N 3.42Å; N720-N725 PolarHBondContact O-ND2 3Å
721	E	85.6	Confident	81.9	Confident	133 Å²	133	81.7 Å²	81.7	62%	0.621	41%	0.407	S	S	*	.	I	π-helix	trans	-60.4	-52.5	174.8	-175.7	-174.9	-178.2	0	0	112.5	E717 F723	E717-E721 PolarHBondContact O-N 3.3Å; E721-F723 PolarHBondContact O-N 2.9Å
722	L	84.2	Confident	82.9	Confident	38 Å²	38	80.5 Å²	80.5	20%	0.199	40%	0.403	C	S	.	.	I	π-helix	trans	-79.6	-11.1	-172.9	-67.1	179.1	0	0	0	114.8	K718 I726 F732 C736 I737	K718-L722 HydrophobicContact CG-CD1 3.88Å; K718-L722 HydrophobicContact CG-CG 4.27Å; K718-L722 VanDerWaalsContact O-CB 3.23Å; K718-L722 WeakPolarHBondContact O-CB 3.34Å; K718-L722 VanDerWaalsContact O-CG 3.25Å; K718-L722 WeakPolarHBondContact O-CG 3.36Å; K718-L722 PolarHBondContact O-N 3.39Å; L722-I726 WeakPolarHBondContact O-CD1 3.32Å; L722-F732 WeakPolarHBondContact O-CE2 3.33Å; L722-F732 VanDerWaalsContact O-CZ 3.24Å; L722-F732 WeakPolarHBondContact O-CZ 3.13Å; L722-C736 HydrophobicContact CD2-CB 4.47Å; L722-I737 HydrophobicContact CB-CG1 4.16Å; L722-I737 HydrophobicContact CD1-CG1 4.46Å
723	F	86.2	Confident	83.3	Confident	4 Å²	4	78.2 Å²	78.2	2%	0.018	40%	0.396	C	S	.	.	I	π-helix	trans	-146.3	-49.4	-176.3	-173.8	-122.6	0	0	0	115.3	W719 E721 K729 F732 I737 Y757 W764	W719-F723 HydrophobicContact CE3-CB 4.32Å; W719-F723 AromaticContact CH2-CD1 3.71Å; W719-F723 HydrophobicContact CH2-CD1 3.71Å; W719-F723 HydrophobicContact CH2-CE1 4.18Å; W719-F723 HydrophobicContact CH2-CG 4.33Å; W719-F723 AromaticContact CZ2-CD1 3.64Å; W719-F723 HydrophobicContact CZ2-CD1 3.64Å; W719-F723 HydrophobicContact CZ2-CE1 4.12Å; W719-F723 HydrophobicContact CZ3-CB 4.36Å; W719-F723 HydrophobicContact CZ3-CD1 4.28Å; W719-F723 HydrophobicContact CZ3-CG 4.49Å; W719-F723 PolarHBondContact O-N 3.02Å; E721-F723 PolarHBondContact O-N 2.9Å; F723-K729 HydrophobicContact CE2-CD 4.39Å; F723-K729 WeakPolarHBondContact O-CE 3.35Å; F723-F732 HydrophobicContact CD2-CD1 4.04Å; F723-F732 AromaticContact CD2-CE1 3.77Å; F723-F732 HydrophobicContact CD2-CE1 3.77Å; F723-F732 HydrophobicContact CD2-CZ 4.07Å; F723-F732 HydrophobicContact CE2-CD1 4.15Å; F723-F732 HydrophobicContact CE2-CE1 4.23Å; F723-I737 HydrophobicContact CB-CD1 4Å; F723-I737 HydrophobicContact CG-CD1 4.41Å; F723-Y757 HydrophobicContact CE1-CE1 4Å; F723-Y757 HydrophobicContact CE1-CE2 4.15Å; F723-Y757 AromaticContact CE1-CZ 3.68Å; F723-Y757 HydrophobicContact CZ-CD1 4.41Å; F723-Y757 AromaticContact CZ-CE1 3.76Å; F723-Y757 HydrophobicContact CZ-CE1 3.76Å; F723-Y757 AromaticContact CZ-CZ 3.93Å; F723-W764 HydrophobicContact CD2-CE3 4.07Å; F723-W764 HydrophobicContact CD2-CZ3 4.35Å; F723-W764 AromaticContact CE2-CE3 3.72Å; F723-W764 HydrophobicContact CE2-CE3 3.72Å; F723-W764 HydrophobicContact CE2-CZ3 4.33Å; F723-W764 HydrophobicContact CZ-CE3 4.04Å
724	V	84.4	Confident	83.5	Confident	65 Å²	65	73.6 Å²	73.6	39%	0.394	38%	0.378	S	S	.	.	I	π-helix	trans	-72.3	-40.4	-170.8	-174.3	0	0	0	0	111.8	W719 N720 I726	W719-V724 PolarHBondContact O-N 3.43Å; N720-V724 HydrophobicContact CB-CB 4.4Å; N720-V724 PolarHBondContact O-N 3.43Å; N720-V724 WeakPolarHBondContact OD1-CG2 3.41Å; V724-I726 VanDerWaalsContact C-N 3.32Å; V724-I726 PolarHBondContact O-N 3.32Å
725	N	84.2	Confident	83.4	Confident	118 Å²	118	76.9 Å²	76.9	63%	0.631	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-0.8	-175.4	-65.3	-20.1	0	0	0	113.9	N720	N720-N725 VanDerWaalsContact O-CB 3.26Å; N720-N725 WeakPolarHBondContact O-CB 3.25Å; N720-N725 VanDerWaalsContact O-CG 3.22Å; N720-N725 PolarHBondContact O-N 3.42Å; N720-N725 PolarHBondContact O-ND2 3Å
726	I	82.1	Confident	83.1	Confident	53 Å²	53	77.6 Å²	77.6	27%	0.272	40%	0.397	S	S	.	.			trans	-78	122.8	-177.7	-65.3	-178.9	0	0	0	109.9	L722 V724 D728 F732	L722-I726 WeakPolarHBondContact O-CD1 3.32Å; V724-I726 VanDerWaalsContact C-N 3.32Å; V724-I726 PolarHBondContact O-N 3.32Å; I726-D728 PolarHBondContact O-N 3.06Å; I726-F732 HydrophobicContact CD1-CD2 3.6Å; I726-F732 HydrophobicContact CD1-CE2 3.41Å; I726-F732 VanDerWaalsContact CD1-CE2 3.41Å
727	P	71.5	Confident	83.2	Confident	139 Å²	139	72.5 Å²	72.5	90%	0.903	37%	0.374	S	S	*	.	S	Bend	trans	-74.9	-24.1	-172.1	28.5	-35.4	0	0	0	114.4
728	D	74.8	Confident	83.4	Confident	80 Å²	80	66 Å²	66	43%	0.428	34%	0.343	S	S	.	.			trans	-120.7	102.3	174.1	-176.8	14.1	0	0	0	111	I726 K730	I726-D728 PolarHBondContact O-N 3.06Å; D728-K730 VanDerWaalsContact OD1-CB 3.32Å; D728-K730 WeakPolarHBondContact OD1-CB 3.45Å; D728-K730 PolarHBondContact OD1-N 3.08Å
729	K	75.4	Confident	83.5	Confident	49 Å²	49	65.3 Å²	65.3	21%	0.213	34%	0.34	C	S	.	.			trans	-81.4	-10	175.9	-64.9	-171.8	179.5	-175.6	0	113.6	F723 N731 F732 T765	F723-K729 HydrophobicContact CE2-CD 4.39Å; F723-K729 WeakPolarHBondContact O-CE 3.35Å; K729-N731 PolarHBondContact O-N 2.94Å; K729-F732 WeakPolarHBondContact O-CB 3.29Å; K729-F732 PolarHBondContact O-N 3.12Å; K729-T765 WeakPolarHBondContact O-CA 3.33Å
730	K	74.3	Confident	83.5	Confident	162 Å²	162	65.4 Å²	65.4	70%	0.704	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-31.4	-173.2	-66.4	-174.8	175.7	-177.6	0	113.4	D728 T765	D728-K730 VanDerWaalsContact OD1-CB 3.32Å; D728-K730 WeakPolarHBondContact OD1-CB 3.45Å; D728-K730 PolarHBondContact OD1-N 3.08Å; K730-T765 WeakPolarHBondContact O-CG2 3.36Å
731	N	74.4	Confident	83.7	Confident	142 Å²	142	62.9 Å²	62.9	76%	0.759	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	25.6	178.2	-62.4	-47.2	0	0	0	112.1	K729 D733	K729-N731 PolarHBondContact O-N 2.94Å; N731-D733 PolarHBondContact O-N 3.48Å
732	F	83.5	Confident	84	Confident	28 Å²	28	56.8 Å²	56.8	12%	0.123	30%	0.3	C	S	.	.			trans	-71.6	125.7	-176.7	177.9	-104.3	0	0	0	111.8	L722 F723 I726 K729 P734 I737 W764	L722-F732 WeakPolarHBondContact O-CE2 3.33Å; L722-F732 VanDerWaalsContact O-CZ 3.24Å; L722-F732 WeakPolarHBondContact O-CZ 3.13Å; F723-F732 HydrophobicContact CD2-CD1 4.04Å; F723-F732 AromaticContact CD2-CE1 3.77Å; F723-F732 HydrophobicContact CD2-CE1 3.77Å; F723-F732 HydrophobicContact CD2-CZ 4.07Å; F723-F732 HydrophobicContact CE2-CD1 4.15Å; F723-F732 HydrophobicContact CE2-CE1 4.23Å; I726-F732 HydrophobicContact CD1-CD2 3.6Å; I726-F732 HydrophobicContact CD1-CE2 3.41Å; I726-F732 VanDerWaalsContact CD1-CE2 3.41Å; K729-F732 WeakPolarHBondContact O-CB 3.29Å; K729-F732 PolarHBondContact O-N 3.12Å; F732-P734 HydrophobicContact CE1-CB 3.96Å; F732-P734 WeakPolarHBondContact O-CD 3.2Å; F732-I737 HydrophobicContact CE1-CD1 3.77Å; F732-I737 HydrophobicContact CZ-CD1 3.51Å; F732-I737 HydrophobicContact CZ-CG1 4.19Å; F732-W764 HydrophobicContact CD1-CB 4.04Å; F732-W764 HydrophobicContact CD1-CE3 4.32Å; F732-W764 HydrophobicContact CD1-CG 4.48Å; F732-W764 HydrophobicContact CE1-CD2 4.33Å; F732-W764 AromaticContact CE1-CE3 3.88Å; F732-W764 HydrophobicContact CE1-CE3 3.88Å; F732-W764 HydrophobicContact CE1-CZ3 4.42Å
733	D	84.4	Confident	84.3	Confident	100 Å²	100	56.5 Å²	56.5	54%	0.535	30%	0.296	S	S	.	.			trans	-92.6	110.3	172.1	-177.9	5	0	0	0	110.6	N731 R735	N731-D733 PolarHBondContact O-N 3.48Å; D733-R735 PolarHBondContact O-N 3.2Å; D733-R735 WeakPolarHBondContact OD1-CB 3.46Å; D733-R735 PolarHBondContact OD1-N 3.41Å
734	P	88.6	Confident	84.2	Confident	21 Å²	21	57 Å²	57	14%	0.136	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-4.8	178.6	32.3	-38.8	0	0	0	114.5	F732 C736 I737 Y738 W764	F732-P734 HydrophobicContact CE1-CB 3.96Å; F732-P734 WeakPolarHBondContact O-CD 3.2Å; P734-C736 VanDerWaalsContact C-N 3.28Å; P734-C736 PolarHBondContact O-N 3.36Å; P734-I737 WeakPolarHBondContact O-CA 3.33Å; P734-I737 WeakPolarHBondContact O-CB 3.4Å; P734-I737 PolarHBondContact O-N 3.11Å; P734-Y738 HydrophobicContact CB-CD2 4.12Å; P734-Y738 HydrophobicContact CB-CE2 3.64Å; P734-Y738 HydrophobicContact CG-CD2 4.22Å; P734-Y738 HydrophobicContact CG-CE2 3.5Å; P734-Y738 VanDerWaalsContact CG-CE2 3.5Å; P734-Y738 WeakPolarHBondContact O-CD2 3.25Å; P734-Y738 PolarHBondContact O-N 2.97Å; P734-W764 HydrophobicContact CB-CD2 3.7Å; P734-W764 VanDerWaalsContact CB-CE2 3.4Å; P734-W764 HydrophobicContact CB-CE3 4.33Å; P734-W764 HydrophobicContact CB-CG 3.95Å; P734-W764 HydrophobicContact CB-CH2 4.46Å; P734-W764 HydrophobicContact CB-CZ2 3.83Å; P734-W764 HydrophobicContact CG-CD2 4.42Å; P734-W764 HydrophobicContact CG-CG 4.17Å
735	R	87.3	Confident	84.4	Confident	68 Å²	68	54 Å²	54	26%	0.257	28%	0.284	S	S	.	.	H	α-helix	trans	-49.3	-45	-177.5	-177.3	176.7	-177.9	136.6	8.9	113.7	D733 I737 Y738 E739	D733-R735 PolarHBondContact O-N 3.2Å; D733-R735 WeakPolarHBondContact OD1-CB 3.46Å; D733-R735 PolarHBondContact OD1-N 3.41Å; R735-I737 VanDerWaalsContact C-N 3.26Å; R735-I737 PolarHBondContact O-N 2.92Å; R735-Y738 PolarHBondContact O-N 3.39Å; R735-E739 HydrophobicContact CG-CG 4.41Å; R735-E739 IonicContact CZ-OE1 3.73Å; R735-E739 IonicContact NE-OE1 3.91Å; R735-E739 PolarHBondContact NE-OE1 2.97Å; R735-E739 IonicContact NH2-OE1 3.13Å; R735-E739 WeakPolarHBondContact O-CG 3.37Å; R735-E739 PolarHBondContact O-N 2.86Å
736	C	85.5	Confident	84.7	Confident	68 Å²	68	48.7 Å²	48.7	46%	0.459	26%	0.257	S	S	.	.	H	α-helix	trans	-61.4	-34	179.2	-65.5	0	0	0	0	112.8	L722 P734 C740	L722-C736 HydrophobicContact CD2-CB 4.47Å; P734-C736 VanDerWaalsContact C-N 3.28Å; P734-C736 PolarHBondContact O-N 3.36Å; C736-C740 PolarHBondContact O-N 3.08Å; C736-C740 VanDerWaalsContact O-N 3.1Å; C736-C740 PolarHBondContact O-SG 3.02Å
737	I	89.6	Confident	85.1	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-72.7	-46.9	177	-60.9	175	0	0	0	109.7	L714 W719 L722 F723 F732 P734 R735 E739 C740 I741 W764	L714-I737 HydrophobicContact CD2-CG2 4.27Å; W719-I737 HydrophobicContact CE3-CD1 4.37Å; W719-I737 HydrophobicContact CZ3-CD1 3.92Å; W719-I737 HydrophobicContact CZ3-CG2 4.11Å; L722-I737 HydrophobicContact CB-CG1 4.16Å; L722-I737 HydrophobicContact CD1-CG1 4.46Å; F723-I737 HydrophobicContact CB-CD1 4Å; F723-I737 HydrophobicContact CG-CD1 4.41Å; F732-I737 HydrophobicContact CE1-CD1 3.77Å; F732-I737 HydrophobicContact CZ-CD1 3.51Å; F732-I737 HydrophobicContact CZ-CG1 4.19Å; P734-I737 WeakPolarHBondContact O-CA 3.33Å; P734-I737 WeakPolarHBondContact O-CB 3.4Å; P734-I737 PolarHBondContact O-N 3.11Å; R735-I737 VanDerWaalsContact C-N 3.26Å; R735-I737 PolarHBondContact O-N 2.92Å; I737-E739 VanDerWaalsContact C-N 3.32Å; I737-E739 PolarHBondContact O-N 3.15Å; I737-C740 PolarHBondContact O-N 3.15Å; I737-I741 HydrophobicContact CG2-CD1 3.86Å; I737-I741 WeakPolarHBondContact O-CG1 3.11Å; I737-I741 PolarHBondContact O-N 3.28Å; I737-W764 HydrophobicContact CB-CH2 4.5Å; I737-W764 HydrophobicContact CD1-CE3 4.36Å; I737-W764 HydrophobicContact CD1-CH2 3.97Å; I737-W764 HydrophobicContact CD1-CZ3 3.6Å; I737-W764 HydrophobicContact CG2-CH2 4.04Å
738	Y	91.6	Very high	85.9	Confident	21 Å²	21	43.9 Å²	43.9	8%	0.082	23%	0.23	C	C	.	.	H	α-helix	trans	-56.8	-45.6	175.4	-63	-49.1	0	0	0	111.1	P734 R735 I741 Y742 L758 W764 C1030 H1033 I1034	P734-Y738 HydrophobicContact CB-CD2 4.12Å; P734-Y738 HydrophobicContact CB-CE2 3.64Å; P734-Y738 HydrophobicContact CG-CD2 4.22Å; P734-Y738 HydrophobicContact CG-CE2 3.5Å; P734-Y738 VanDerWaalsContact CG-CE2 3.5Å; P734-Y738 WeakPolarHBondContact O-CD2 3.25Å; P734-Y738 PolarHBondContact O-N 2.97Å; R735-Y738 PolarHBondContact O-N 3.39Å; Y738-I741 PolarHBondContact O-N 3.03Å; Y738-Y742 WeakPolarHBondContact O-CB 3.49Å; Y738-Y742 PolarHBondContact O-N 3Å; Y738-L758 HydrophobicContact CD1-CD2 3.94Å; Y738-L758 HydrophobicContact CE1-CD2 3.69Å; Y738-W764 HydrophobicContact CE1-CZ2 4.01Å; Y738-W764 AromaticContact CZ-NE1 3.82Å; Y738-W764 PolarHBondContact OH-NE1 3.13Å; Y738-C1030 HydrophobicContact CD1-CB 4.23Å; Y738-H1033 AromaticContact CD1-CD2 3.92Å; Y738-H1033 HydrophobicContact CD2-CB 3.77Å; Y738-H1033 AromaticContact CE1-CD2 3.44Å; Y738-H1033 VanDerWaalsContact CE1-CD2 3.44Å; Y738-H1033 WeakPolarHBondContact CE1-CD2 3.46Å; Y738-H1033 AromaticContact CE1-NE2 3.94Å; Y738-H1033 HydrophobicContact CE2-CB 3.89Å; Y738-H1033 AromaticContact CE2-CD2 3.55Å; Y738-H1033 AromaticContact CE2-CG 3.68Å; Y738-H1033 HydrophobicContact CG-CB 4.28Å; Y738-H1033 AromaticContact CZ-CD2 3.25Å; Y738-H1033 AromaticContact CZ-CG 3.86Å; Y738-H1033 AromaticContact CZ-NE2 3.6Å; Y738-H1033 PolarHBondContact OH-NE2 3.11Å; Y738-I1034 WeakPolarHBondContact O-CD1 3.29Å
739	E	88.9	Confident	86.4	Confident	25 Å²	25	46 Å²	46	12%	0.117	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-43.4	177.3	-73.1	-179.9	-167	0	0	112.1	Y711 R735 I737 I741 Y742 Y743 I1034	Y711-E739 HydrophobicContact CE1-CB 3.88Å; Y711-E739 PolarHBondContact OH-OE2 3.17Å; R735-E739 HydrophobicContact CG-CG 4.41Å; R735-E739 IonicContact CZ-OE1 3.73Å; R735-E739 IonicContact NE-OE1 3.91Å; R735-E739 PolarHBondContact NE-OE1 2.97Å; R735-E739 IonicContact NH2-OE1 3.13Å; R735-E739 WeakPolarHBondContact O-CG 3.37Å; R735-E739 PolarHBondContact O-N 2.86Å; I737-E739 VanDerWaalsContact C-N 3.32Å; I737-E739 PolarHBondContact O-N 3.15Å; E739-I741 PolarHBondContact O-N 2.72Å; E739-Y742 PolarHBondContact O-N 2.87Å; E739-Y743 HydrophobicContact CB-CD2 4.43Å; E739-Y743 VanDerWaalsContact O-CD2 3.24Å; E739-Y743 WeakPolarHBondContact O-CD2 3.35Å; E739-Y743 PolarHBondContact O-N 3.46Å; E739-I1034 HydrophobicContact CG-CD1 4.14Å; E739-I1034 HydrophobicContact CG-CG1 4.42Å; E739-I1034 HydrophobicContact CG-CG2 4.46Å
740	C	88.8	Confident	87.1	Confident	7 Å²	7	43.8 Å²	43.8	5%	0.047	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-42.8	176.6	-70.6	0	0	0	0	112.7	K718 C736 I737 G744 G745	K718-C740 WeakPolarHBondContact CE-SG 3.26Å; C736-C740 PolarHBondContact O-N 3.08Å; C736-C740 VanDerWaalsContact O-N 3.1Å; C736-C740 PolarHBondContact O-SG 3.02Å; I737-C740 PolarHBondContact O-N 3.15Å; C740-G744 WeakPolarHBondContact O-CA 3.16Å; C740-G744 PolarHBondContact O-N 3.45Å; C740-G745 PolarHBondContact O-N 3.06Å
741	I	92.2	Very high	88	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-73.4	-42.3	178.8	-61.6	169.7	0	0	0	110.8	L714 I737 Y738 E739 Y743 G745 V754 L758 E1026 C1030	L714-I741 HydrophobicContact CB-CG1 4.24Å; L714-I741 HydrophobicContact CD2-CD1 3.81Å; L714-I741 HydrophobicContact CD2-CG1 3.78Å; I737-I741 HydrophobicContact CG2-CD1 3.86Å; I737-I741 WeakPolarHBondContact O-CG1 3.11Å; I737-I741 PolarHBondContact O-N 3.28Å; Y738-I741 PolarHBondContact O-N 3.03Å; E739-I741 PolarHBondContact O-N 2.72Å; I741-Y743 PolarHBondContact O-N 3.19Å; I741-G745 WeakPolarHBondContact O-CA 3.34Å; I741-G745 PolarHBondContact O-N 2.9Å; I741-V754 HydrophobicContact CD1-CG1 3.77Å; I741-L758 HydrophobicContact CD1-CD1 4.24Å; I741-L758 HydrophobicContact CD1-CD2 4.21Å; I741-E1026 HydrophobicContact CG2-CB 3.81Å; I741-C1030 VanDerWaalsContact CB-SG 3.59Å; I741-C1030 WeakPolarHBondContact CG2-SG 3.09Å
742	Y	92.8	Very high	88.7	Confident	4 Å²	4	31.1 Å²	31.1	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-62.8	-38	-179.2	175.5	-105.3	0	0	0	113.2	Y738 E739 V1027 A1031 I1034 V1035 F1039 R1086	Y738-Y742 WeakPolarHBondContact O-CB 3.49Å; Y738-Y742 PolarHBondContact O-N 3Å; E739-Y742 PolarHBondContact O-N 2.87Å; Y742-V1027 HydrophobicContact CD2-CG1 3.77Å; Y742-V1027 HydrophobicContact CE2-CG1 4.03Å; Y742-A1031 HydrophobicContact CD2-CB 3.77Å; Y742-A1031 HydrophobicContact CE2-CB 3.6Å; Y742-I1034 VanDerWaalsContact CB-CD1 3.46Å; Y742-I1034 HydrophobicContact CD1-CD1 4.04Å; Y742-I1034 HydrophobicContact CD2-CD1 4.48Å; Y742-I1034 HydrophobicContact CG-CD1 3.76Å; Y742-V1035 HydrophobicContact CE1-CG2 3.87Å; Y742-F1039 HydrophobicContact CE2-CD2 4.47Å; Y742-F1039 HydrophobicContact CE2-CE1 4.34Å; Y742-F1039 HydrophobicContact CE2-CE2 4.02Å; Y742-F1039 AromaticContact CE2-CZ 3.95Å; Y742-F1039 HydrophobicContact CE2-CZ 3.95Å; Y742-R1086 HydrophobicContact CE1-CG 4.28Å; Y742-R1086 HydrophobicContact CE2-CG 4.34Å; Y742-R1086 VanDerWaalsContact O-CZ 3.31Å; Y742-R1086 PolarHBondContact O-NE 3.46Å; Y742-R1086 PolarHBondContact O-NH2 3.06Å
743	Y	89.1	Confident	89	Confident	32 Å²	32	33.1 Å²	33.1	13%	0.125	18%	0.176	C	C	.	.	H	α-helix	trans	-90.9	-48.7	178.1	-68.9	-63.8	0	0	0	113.4	C704 F708 Y711 E739 I741 R1086	C704-Y743 PolarHBondContact SG-OH 3.35Å; F708-Y743 HydrophobicContact CD1-CD1 4.11Å; F708-Y743 AromaticContact CD1-CE1 3.94Å; F708-Y743 HydrophobicContact CD1-CE1 3.94Å; F708-Y743 HydrophobicContact CE1-CE1 4.14Å; Y711-Y743 HydrophobicContact CD1-CD2 4.46Å; Y711-Y743 AromaticContact CD2-CD2 3.48Å; Y711-Y743 HydrophobicContact CD2-CD2 3.48Å; Y711-Y743 VanDerWaalsContact CD2-CD2 3.48Å; Y711-Y743 HydrophobicContact CD2-CE2 4.27Å; Y711-Y743 AromaticContact CD2-CG 3.79Å; Y711-Y743 HydrophobicContact CD2-CG 3.79Å; Y711-Y743 AromaticContact CE2-CD2 3.56Å; Y711-Y743 HydrophobicContact CE2-CD2 3.56Å; Y711-Y743 AromaticContact CE2-CE2 3.91Å; Y711-Y743 HydrophobicContact CE2-CE2 3.91Å; Y711-Y743 HydrophobicContact CE2-CG 4.28Å; Y711-Y743 AromaticContact CG-CD2 3.96Å; Y711-Y743 HydrophobicContact CG-CD2 3.96Å; Y711-Y743 HydrophobicContact CG-CG 4.25Å; E739-Y743 HydrophobicContact CB-CD2 4.43Å; E739-Y743 VanDerWaalsContact O-CD2 3.24Å; E739-Y743 WeakPolarHBondContact O-CD2 3.35Å; E739-Y743 PolarHBondContact O-N 3.46Å; I741-Y743 PolarHBondContact O-N 3.19Å; Y743-R1086 PolarHBondContact O-NH2 2.68Å
744	G	84	Confident	89.4	Confident	14 Å²	14	28.3 Å²	28.3	14%	0.144	15%	0.15	C	C	.	.	H	α-helix	trans	-94.7	-30.5	-174	0	0	0	0	0	115.4	K713 C740	K713-G744 WeakPolarHBondContact CG-O 3.48Å; C740-G744 WeakPolarHBondContact O-CA 3.16Å; C740-G744 PolarHBondContact O-N 3.45Å
745	G	89.2	Confident	89.6	Confident	2 Å²	2	27.4 Å²	27.4	2%	0.021	14%	0.144	C	C	.	.			trans	87.9	167.6	-171.4	0	0	0	0	0	114.1	K713 L714 C740 I741	K713-G745 WeakPolarHBondContact CA-O 3.49Å; L714-G745 PolarHBondContact N-O 2.69Å; C740-G745 PolarHBondContact O-N 3.06Å; I741-G745 WeakPolarHBondContact O-CA 3.34Å; I741-G745 PolarHBondContact O-N 2.9Å
746	C	91	Very high	89.9	Confident	8 Å²	8	24.6 Å²	24.6	5%	0.054	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-95.4	148.1	177.3	-164.8	0	0	0	0	112.2	E1026	C746-E1026 HydrophobicContact CB-CG 4.49Å; C746-E1026 WeakPolarHBondContact CB-OE2 3.47Å; C746-E1026 PolarHBondContact N-OE2 2.71Å
747	V	90.3	Very high	90.3	Very high	40 Å²	40	22.3 Å²	22.3	24%	0.242	12%	0.117	C	C	.	.			trans	-74.8	137.7	167.8	174.7	0	0	0	0	109.7	K713 L714 E749 L750	K713-V747 HydrophobicContact CB-CG2 4.47Å; L714-V747 WeakPolarHBondContact O-CG2 3.35Å; L714-V747 PolarHBondContact O-N 3.39Å; V747-E749 HydrophobicContact CG1-CB 4.27Å; V747-E749 HydrophobicContact CG1-CG 4.32Å; V747-E749 PolarHBondContact O-N 2.99Å; V747-E749 VanDerWaalsContact O-N 3.11Å; V747-L750 PolarHBondContact O-N 3.37Å
748	S	87.7	Confident	90.5	Very high	51 Å²	51	22.7 Å²	22.7	36%	0.357	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-51.8	-37.3	-174.5	-51.1	0	0	0	0	114.1	L750 R751	S748-L750 VanDerWaalsContact C-N 3.33Å; S748-L750 PolarHBondContact O-N 3.18Å; S748-R751 WeakPolarHBondContact O-CG 3.35Å; S748-R751 PolarHBondContact O-N 3.47Å; S748-R751 PolarHBondContact OG-NH1 3.27Å
749	E	86.1	Confident	90.5	Very high	125 Å²	125	21.9 Å²	21.9	58%	0.584	12%	0.115	S	C	*	.	G	3₁₀ helix	trans	-60.1	-38.9	179.2	-62.6	167.8	-174.3	0	0	112.9	V747 H909	V747-E749 HydrophobicContact CG1-CB 4.27Å; V747-E749 HydrophobicContact CG1-CG 4.32Å; V747-E749 PolarHBondContact O-N 2.99Å; V747-E749 VanDerWaalsContact O-N 3.11Å; E749-H909 PolarHBondContact O-CE1 2.89Å; E749-H909 VanDerWaalsContact O-CE1 3.24Å; E749-H909 PolarHBondContact O-ND1 3.22Å
750	L	90.4	Very high	90.7	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-81.7	-15.7	-176.2	-74	-176.6	0	0	0	113.9	L714 K716 W719 V747 S748 N752 E753 V754	L714-L750 HydrophobicContact CG-CD1 4.12Å; L714-L750 WeakPolarHBondContact O-CD1 3.28Å; K716-L750 HydrophobicContact CB-CD2 4.19Å; K716-L750 HydrophobicContact CD-CD2 4.47Å; K716-L750 HydrophobicContact CG-CD2 4.16Å; W719-L750 HydrophobicContact CB-CD1 3.8Å; W719-L750 HydrophobicContact CB-CD2 4.49Å; W719-L750 HydrophobicContact CG-CD1 4.21Å; W719-L750 HydrophobicContact CG-CD2 4.29Å; V747-L750 PolarHBondContact O-N 3.37Å; S748-L750 VanDerWaalsContact C-N 3.33Å; S748-L750 PolarHBondContact O-N 3.18Å; L750-N752 PolarHBondContact O-N 2.84Å; L750-N752 VanDerWaalsContact O-N 3.08Å; L750-E753 PolarHBondContact O-N 3.48Å; L750-V754 HydrophobicContact CB-CG2 4.05Å; L750-V754 WeakPolarHBondContact O-CG2 3.36Å; L750-V754 PolarHBondContact O-N 3.21Å
751	R	92.3	Very high	90.8	Very high	14 Å²	14	22 Å²	22	5%	0.053	12%	0.124	C	C	.	.	H	α-helix	trans	-51.6	-40.5	-174.6	-66	-174.4	177.4	134.7	-2.1	112.4	S748 E753 V754 W755 L905 E1026	S748-R751 WeakPolarHBondContact O-CG 3.35Å; S748-R751 PolarHBondContact O-N 3.47Å; S748-R751 PolarHBondContact OG-NH1 3.27Å; R751-E753 VanDerWaalsContact C-N 3.32Å; R751-E753 PolarHBondContact O-N 3.47Å; R751-V754 PolarHBondContact O-N 3.2Å; R751-W755 WeakPolarHBondContact O-CB 3.4Å; R751-W755 PolarHBondContact O-N 3.33Å; R751-L905 HydrophobicContact CB-CD1 4.04Å; R751-L905 HydrophobicContact CB-CG 4.43Å; R751-E1026 VanDerWaalsContact CD-OE1 3.3Å; R751-E1026 WeakPolarHBondContact CD-OE1 3.44Å; R751-E1026 VanDerWaalsContact CG-OE1 3.28Å; R751-E1026 WeakPolarHBondContact CG-OE1 3.49Å; R751-E1026 IonicContact NE-OE1 3.79Å; R751-E1026 PolarHBondContact NE-OE1 3Å
752	N	89.5	Confident	90.8	Very high	25 Å²	25	23.7 Å²	23.7	13%	0.134	13%	0.131	C	C	.	.	H	α-helix	trans	-66.6	-28.8	179.4	-107.8	-4.6	0	0	0	114.8	L750 P756 L905 K906 H909	L750-N752 PolarHBondContact O-N 2.84Å; L750-N752 VanDerWaalsContact O-N 3.08Å; N752-P756 WeakPolarHBondContact O-CD 3.41Å; N752-L905 WeakPolarHBondContact OD1-CD2 3.47Å; N752-K906 VanDerWaalsContact OD1-CD 3.27Å; N752-K906 WeakPolarHBondContact OD1-CD 3.46Å; N752-K906 WeakPolarHBondContact OD1-CE 3.29Å; N752-K906 PolarHBondContact OD1-NZ 3.48Å; N752-H909 WeakPolarHBondContact ND2-CB 3.44Å; N752-H909 PolarHBondContact ND2-CD2 3.02Å
753	E	89.6	Confident	90.6	Very high	69 Å²	69	27.9 Å²	27.9	32%	0.322	15%	0.153	S	C	.	.	H	α-helix	trans	-84.1	-39.7	175.3	-63	-178.2	-146.8	0	0	111.2	K716 W719 L750 R751 Y757	K716-E753 IonicContact NZ-OE1 3.91Å; W719-E753 PolarHBondContact NE1-OE2 3.25Å; W719-E753 VanDerWaalsContact NE1-OE2 3.12Å; L750-E753 PolarHBondContact O-N 3.48Å; R751-E753 VanDerWaalsContact C-N 3.32Å; R751-E753 PolarHBondContact O-N 3.47Å; E753-Y757 WeakPolarHBondContact O-CD2 3.41Å; E753-Y757 VanDerWaalsContact O-CE2 3.22Å; E753-Y757 WeakPolarHBondContact O-CE2 3.34Å
754	V	92.4	Very high	90.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-82.1	-43.3	-171.3	174	0	0	0	0	112.8	L714 W719 I741 L750 R751 Y757 L758	L714-V754 HydrophobicContact CD2-CG2 4.09Å; W719-V754 HydrophobicContact CD2-CG2 4.13Å; W719-V754 HydrophobicContact CE3-CG2 3.98Å; W719-V754 HydrophobicContact CH2-CG2 3.89Å; W719-V754 HydrophobicContact CZ2-CG2 4.04Å; W719-V754 HydrophobicContact CZ3-CG2 3.84Å; I741-V754 HydrophobicContact CD1-CG1 3.77Å; L750-V754 HydrophobicContact CB-CG2 4.05Å; L750-V754 WeakPolarHBondContact O-CG2 3.36Å; L750-V754 PolarHBondContact O-N 3.21Å; R751-V754 PolarHBondContact O-N 3.2Å; V754-Y757 PolarHBondContact O-N 3.07Å; V754-L758 HydrophobicContact CG1-CD1 3.84Å; V754-L758 HydrophobicContact CG1-CD2 4.39Å; V754-L758 HydrophobicContact CG1-CG 3.88Å; V754-L758 PolarHBondContact O-N 3.31Å
755	W	94	Very high	90.7	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-59.4	-36.6	-173.6	-75.6	34.5	0	0	0	114.9	R751 Y757 L758 L759 L902 L905 L948 F1022 W1025 E1026	R751-W755 WeakPolarHBondContact O-CB 3.4Å; R751-W755 PolarHBondContact O-N 3.33Å; W755-Y757 PolarHBondContact O-N 2.82Å; W755-L758 PolarHBondContact O-N 3.22Å; W755-L759 WeakPolarHBondContact O-CB 3.36Å; W755-L759 PolarHBondContact O-N 3.35Å; W755-L902 HydrophobicContact CE3-CD2 4.15Å; W755-L902 HydrophobicContact CZ3-CD2 3.63Å; W755-L905 HydrophobicContact CD2-CD1 3.98Å; W755-L905 HydrophobicContact CE3-CD1 3.97Å; W755-L905 HydrophobicContact CH2-CD1 3.58Å; W755-L905 HydrophobicContact CZ2-CD1 3.55Å; W755-L905 HydrophobicContact CZ3-CD1 3.79Å; W755-L948 HydrophobicContact CB-CD2 4.32Å; W755-F1022 HydrophobicContact CH2-CB 4.34Å; W755-F1022 AromaticContact CH2-CD1 3.67Å; W755-F1022 HydrophobicContact CH2-CD1 3.67Å; W755-F1022 HydrophobicContact CH2-CE1 4.42Å; W755-F1022 HydrophobicContact CH2-CG 4.32Å; W755-F1022 HydrophobicContact CZ2-CB 3.96Å; W755-F1022 HydrophobicContact CZ2-CD1 4.1Å; W755-F1022 HydrophobicContact CZ2-CG 4.29Å; W755-W1025 HydrophobicContact CH2-CB 4.46Å; W755-W1025 AromaticContact CH2-CE3 3.78Å; W755-W1025 HydrophobicContact CH2-CE3 3.78Å; W755-W1025 AromaticContact CZ3-CE3 3.91Å; W755-W1025 HydrophobicContact CZ3-CE3 3.91Å; W755-W1025 HydrophobicContact CZ3-CZ3 4.4Å; W755-E1026 HydrophobicContact CZ2-CG 4.07Å; W755-E1026 PolarHBondContact NE1-OE1 3.29Å; W755-E1026 VanDerWaalsContact NE1-OE1 3.11Å
756	P	93.5	Very high	90.6	Very high	9 Å²	9	31.9 Å²	31.9	6%	0.058	17%	0.173	C	C	.	.	H	α-helix	trans	-56.4	-31.1	171.9	-28.4	36.8	0	0	0	114.5	N752 V761 Y762 L948	N752-P756 WeakPolarHBondContact O-CD 3.41Å; P756-V761 HydrophobicContact CB-CB 4.13Å; P756-V761 HydrophobicContact CB-CG2 4.43Å; P756-V761 WeakPolarHBondContact O-CA 3.39Å; P756-V761 VanDerWaalsContact O-CB 3.27Å; P756-V761 WeakPolarHBondContact O-CB 3.31Å; P756-V761 PolarHBondContact O-N 2.7Å; P756-Y762 HydrophobicContact CB-CD2 3.48Å; P756-Y762 VanDerWaalsContact CB-CD2 3.48Å; P756-Y762 HydrophobicContact CB-CE2 3.37Å; P756-Y762 HydrophobicContact CB-CG 4.31Å; P756-Y762 HydrophobicContact CG-CE2 4.08Å; P756-Y762 PolarHBondContact O-N 2.94Å; P756-Y762 VanDerWaalsContact O-N 3.11Å; P756-L948 HydrophobicContact CG-CD2 4.23Å
757	Y	93	Very high	90.3	Very high	20 Å²	20	33.8 Å²	33.8	8%	0.078	19%	0.187	C	C	.	.	H	α-helix	trans	-80.1	-41.7	173.9	-58.5	-86.5	0	0	0	111.6	W719 F723 E753 V754 W755 L759 G760 Y762 W764 K771	W719-Y757 HydrophobicContact CH2-CD2 4.04Å; W719-Y757 HydrophobicContact CH2-CE2 4.22Å; W719-Y757 HydrophobicContact CZ2-CD2 4.36Å; W719-Y757 HydrophobicContact CZ2-CE2 4.14Å; F723-Y757 HydrophobicContact CE1-CE1 4Å; F723-Y757 HydrophobicContact CE1-CE2 4.15Å; F723-Y757 AromaticContact CE1-CZ 3.68Å; F723-Y757 HydrophobicContact CZ-CD1 4.41Å; F723-Y757 AromaticContact CZ-CE1 3.76Å; F723-Y757 HydrophobicContact CZ-CE1 3.76Å; F723-Y757 AromaticContact CZ-CZ 3.93Å; E753-Y757 WeakPolarHBondContact O-CD2 3.41Å; E753-Y757 VanDerWaalsContact O-CE2 3.22Å; E753-Y757 WeakPolarHBondContact O-CE2 3.34Å; V754-Y757 PolarHBondContact O-N 3.07Å; W755-Y757 PolarHBondContact O-N 2.82Å; Y757-L759 VanDerWaalsContact C-N 3.32Å; Y757-L759 PolarHBondContact O-N 2.87Å; Y757-G760 PolarHBondContact O-N 3.34Å; Y757-G760 VanDerWaalsContact O-N 3.16Å; Y757-Y762 HydrophobicContact CD1-CD2 4.36Å; Y757-Y762 HydrophobicContact CD2-CD2 4.42Å; Y757-Y762 HydrophobicContact CE1-CD2 4.01Å; Y757-Y762 HydrophobicContact CE1-CG 4.35Å; Y757-Y762 HydrophobicContact CE2-CD2 4.07Å; Y757-Y762 AromaticContact CZ-CD2 3.85Å; Y757-W764 HydrophobicContact CD1-CD2 4.26Å; Y757-W764 AromaticContact CD1-CE3 3.98Å; Y757-W764 HydrophobicContact CD1-CE3 3.98Å; Y757-W764 HydrophobicContact CD1-CZ3 4.3Å; Y757-W764 HydrophobicContact CG-CE3 4.17Å; Y757-W764 HydrophobicContact CG-CH2 4.28Å; Y757-W764 HydrophobicContact CG-CZ3 4.03Å; Y757-K771 PolarHBondContact OH-NZ 2.95Å
758	L	93.2	Very high	90.1	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-62.3	-36.8	178.7	-62.1	-175.8	0	0	0	112.9	Y738 I741 V754 W755 G760 W764 L1029	Y738-L758 HydrophobicContact CD1-CD2 3.94Å; Y738-L758 HydrophobicContact CE1-CD2 3.69Å; I741-L758 HydrophobicContact CD1-CD1 4.24Å; I741-L758 HydrophobicContact CD1-CD2 4.21Å; V754-L758 HydrophobicContact CG1-CD1 3.84Å; V754-L758 HydrophobicContact CG1-CD2 4.39Å; V754-L758 HydrophobicContact CG1-CG 3.88Å; V754-L758 PolarHBondContact O-N 3.31Å; W755-L758 PolarHBondContact O-N 3.22Å; L758-G760 VanDerWaalsContact C-N 3.34Å; L758-W764 HydrophobicContact CD2-CZ2 4.48Å; L758-L1029 HydrophobicContact CB-CB 4.48Å; L758-L1029 HydrophobicContact CB-CD1 4.18Å
759	L	93.4	Very high	90.2	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-1.7	178.2	-64.3	176.7	0	0	0	113.5	W755 Y757 V761 L948 L952 N955 L1029	W755-L759 WeakPolarHBondContact O-CB 3.36Å; W755-L759 PolarHBondContact O-N 3.35Å; Y757-L759 VanDerWaalsContact C-N 3.32Å; Y757-L759 PolarHBondContact O-N 2.87Å; L759-V761 HydrophobicContact CB-CG2 4.45Å; L759-L948 HydrophobicContact CD1-CB 4.04Å; L759-L948 HydrophobicContact CD1-CD2 3.79Å; L759-L948 HydrophobicContact CD1-CG 4.46Å; L759-L952 HydrophobicContact CD1-CB 4.37Å; L759-L952 HydrophobicContact CD2-CB 4.06Å; L759-L952 HydrophobicContact CD2-CD1 3.86Å; L759-N955 PolarHBondContact O-ND2 3.08Å; L759-L1029 HydrophobicContact CD2-CD1 3.65Å; L759-L1029 HydrophobicContact CD2-CD2 3.84Å; L759-L1029 HydrophobicContact CD2-CG 4.43Å; L759-L1029 HydrophobicContact CG-CD1 4.36Å
760	G	91.7	Very high	90.4	Very high	30 Å²	30	40.5 Å²	40.5	31%	0.309	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	20.3	179.6	0	0	0	0	0	115.8	Y757 L758 Y762 Y951	Y757-G760 PolarHBondContact O-N 3.34Å; Y757-G760 VanDerWaalsContact O-N 3.16Å; L758-G760 VanDerWaalsContact C-N 3.34Å; G760-Y762 VanDerWaalsContact C-N 3.3Å; G760-Y951 VanDerWaalsContact O-CE1 3.26Å; G760-Y951 WeakPolarHBondContact O-CE1 3.28Å
761	V	91.9	Very high	90.4	Very high	6 Å²	6	40.7 Å²	40.7	4%	0.036	21%	0.21	C	C	.	.	S	Bend	trans	-65.9	-38.2	169.6	-171.3	0	0	0	0	110.3	P756 L759 L778 T947 Y951	P756-V761 HydrophobicContact CB-CB 4.13Å; P756-V761 HydrophobicContact CB-CG2 4.43Å; P756-V761 WeakPolarHBondContact O-CA 3.39Å; P756-V761 VanDerWaalsContact O-CB 3.27Å; P756-V761 WeakPolarHBondContact O-CB 3.31Å; P756-V761 PolarHBondContact O-N 2.7Å; L759-V761 HydrophobicContact CB-CG2 4.45Å; V761-L778 HydrophobicContact CG1-CD1 4.28Å; V761-T947 HydrophobicContact CG1-CG2 3.6Å; V761-T947 HydrophobicContact CG2-CG2 4.06Å; V761-Y951 HydrophobicContact CG1-CE2 4.23Å; V761-Y951 HydrophobicContact CG2-CD1 4.12Å; V761-Y951 HydrophobicContact CG2-CD2 3.84Å; V761-Y951 HydrophobicContact CG2-CE2 4.31Å; V761-Y951 HydrophobicContact CG2-CG 3.72Å
762	Y	92.5	Very high	90.4	Very high	35 Å²	35	46.3 Å²	46.3	14%	0.137	24%	0.235	C	C	.	.	S	Bend	trans	-121	131.8	173.1	-49.2	-42.4	0	0	0	110.1	P756 Y757 G760 K771 N775	P756-Y762 HydrophobicContact CB-CD2 3.48Å; P756-Y762 VanDerWaalsContact CB-CD2 3.48Å; P756-Y762 HydrophobicContact CB-CE2 3.37Å; P756-Y762 HydrophobicContact CB-CG 4.31Å; P756-Y762 HydrophobicContact CG-CE2 4.08Å; P756-Y762 PolarHBondContact O-N 2.94Å; P756-Y762 VanDerWaalsContact O-N 3.11Å; Y757-Y762 HydrophobicContact CD1-CD2 4.36Å; Y757-Y762 HydrophobicContact CD2-CD2 4.42Å; Y757-Y762 HydrophobicContact CE1-CD2 4.01Å; Y757-Y762 HydrophobicContact CE1-CG 4.35Å; Y757-Y762 HydrophobicContact CE2-CD2 4.07Å; Y757-Y762 AromaticContact CZ-CD2 3.85Å; G760-Y762 VanDerWaalsContact C-N 3.3Å; Y762-K771 HydrophobicContact CD1-CB 4.39Å; Y762-K771 HydrophobicContact CD1-CG 3.87Å; Y762-K771 HydrophobicContact CD2-CD 4.33Å; Y762-K771 HydrophobicContact CD2-CG 4.47Å; Y762-K771 HydrophobicContact CE1-CB 4.17Å; Y762-K771 HydrophobicContact CE1-CG 4.13Å; Y762-K771 HydrophobicContact CG-CD 4.33Å; Y762-K771 HydrophobicContact CG-CG 4.06Å; Y762-N775 PolarHBondContact OH-ND2 3.44Å; Y762-N775 PolarHBondContact OH-OD1 2.89Å
763	N	88.9	Confident	90.6	Very high	92 Å²	92	48.6 Å²	48.6	49%	0.492	25%	0.25	S	S	.	.			trans	-71.7	142.6	164.4	-67.6	-21.3	0	0	0	109.3	T765 M766	N763-T765 PolarHBondContact O-N 3.17Å; N763-M766 HydrophobicContact CB-CE 3.98Å; N763-M766 HydrophobicContact CB-CG 4.03Å; N763-M766 HydrophobicContact CB-SD 4.05Å; N763-M766 PolarHBondContact N-SD 2.76Å; N763-M766 WeakPolarHBondContact O-CB 3.47Å; N763-M766 PolarHBondContact O-N 2.94Å
764	W	88.4	Confident	90.7	Very high	25 Å²	25	47.1 Å²	47.1	10%	0.095	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-26.3	179.7	-63.7	101.8	0	0	0	114.4	W719 F723 F732 P734 I737 Y738 Y757 L758	W719-W764 HydrophobicContact CH2-CH2 4.4Å; W719-W764 AromaticContact CH2-CZ3 3.94Å; W719-W764 HydrophobicContact CH2-CZ3 3.94Å; W719-W764 HydrophobicContact CZ3-CH2 4.31Å; W719-W764 HydrophobicContact CZ3-CZ3 4.03Å; F723-W764 HydrophobicContact CD2-CE3 4.07Å; F723-W764 HydrophobicContact CD2-CZ3 4.35Å; F723-W764 AromaticContact CE2-CE3 3.72Å; F723-W764 HydrophobicContact CE2-CE3 3.72Å; F723-W764 HydrophobicContact CE2-CZ3 4.33Å; F723-W764 HydrophobicContact CZ-CE3 4.04Å; F732-W764 HydrophobicContact CD1-CB 4.04Å; F732-W764 HydrophobicContact CD1-CE3 4.32Å; F732-W764 HydrophobicContact CD1-CG 4.48Å; F732-W764 HydrophobicContact CE1-CD2 4.33Å; F732-W764 AromaticContact CE1-CE3 3.88Å; F732-W764 HydrophobicContact CE1-CE3 3.88Å; F732-W764 HydrophobicContact CE1-CZ3 4.42Å; P734-W764 HydrophobicContact CB-CD2 3.7Å; P734-W764 VanDerWaalsContact CB-CE2 3.4Å; P734-W764 HydrophobicContact CB-CE3 4.33Å; P734-W764 HydrophobicContact CB-CG 3.95Å; P734-W764 HydrophobicContact CB-CH2 4.46Å; P734-W764 HydrophobicContact CB-CZ2 3.83Å; P734-W764 HydrophobicContact CG-CD2 4.42Å; P734-W764 HydrophobicContact CG-CG 4.17Å; I737-W764 HydrophobicContact CB-CH2 4.5Å; I737-W764 HydrophobicContact CD1-CE3 4.36Å; I737-W764 HydrophobicContact CD1-CH2 3.97Å; I737-W764 HydrophobicContact CD1-CZ3 3.6Å; I737-W764 HydrophobicContact CG2-CH2 4.04Å; Y738-W764 HydrophobicContact CE1-CZ2 4.01Å; Y738-W764 AromaticContact CZ-NE1 3.82Å; Y738-W764 PolarHBondContact OH-NE1 3.13Å; Y757-W764 HydrophobicContact CD1-CD2 4.26Å; Y757-W764 AromaticContact CD1-CE3 3.98Å; Y757-W764 HydrophobicContact CD1-CE3 3.98Å; Y757-W764 HydrophobicContact CD1-CZ3 4.3Å; Y757-W764 HydrophobicContact CG-CE3 4.17Å; Y757-W764 HydrophobicContact CG-CH2 4.28Å; Y757-W764 HydrophobicContact CG-CZ3 4.03Å; L758-W764 HydrophobicContact CD2-CZ2 4.48Å
765	T	86.8	Confident	90.7	Very high	72 Å²	72	50.1 Å²	50.1	44%	0.442	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-6.2	-179.8	63.1	0	0	0	0	114.6	K729 K730 N763	K729-T765 WeakPolarHBondContact O-CA 3.33Å; K730-T765 WeakPolarHBondContact O-CG2 3.36Å; N763-T765 PolarHBondContact O-N 3.17Å
766	M	86.1	Confident	90.6	Very high	35 Å²	35	55.8 Å²	55.8	17%	0.172	29%	0.287	C	S	.	.			trans	-72.5	142.3	-173.2	-78	169.2	174.6	0	0	113.5	N763 E770 K771 I774	N763-M766 HydrophobicContact CB-CE 3.98Å; N763-M766 HydrophobicContact CB-CG 4.03Å; N763-M766 HydrophobicContact CB-SD 4.05Å; N763-M766 PolarHBondContact N-SD 2.76Å; N763-M766 WeakPolarHBondContact O-CB 3.47Å; N763-M766 PolarHBondContact O-N 2.94Å; M766-E770 VanDerWaalsContact CA-OE2 3.24Å; M766-E770 WeakPolarHBondContact CA-OE2 3.31Å; M766-E770 HydrophobicContact CB-CB 4.42Å; M766-K771 HydrophobicContact CB-CG 4.32Å; M766-K771 WeakPolarHBondContact O-CE 3.49Å; M766-K771 PolarHBondContact O-NZ 3.2Å; M766-I774 HydrophobicContact CE-CD1 3.54Å; M766-I774 HydrophobicContact SD-CD1 3.51Å; M766-I774 VanDerWaalsContact SD-CD1 3.51Å
767	S	85.8	Confident	90.7	Very high	48 Å²	48	60 Å²	60	34%	0.336	31%	0.308	S	S	.	.			trans	-73.8	163.3	171.5	83.1	0	0	0	0	112.1	E769 E770 K771	S767-E769 PolarHBondContact O-N 2.97Å; S767-E769 PolarHBondContact OG-N 2.85Å; S767-E770 PolarHBondContact N-OE2 3.35Å; S767-E770 PolarHBondContact O-N 2.96Å; S767-E770 WeakPolarHBondContact OG-CG 3.3Å; S767-E770 PolarHBondContact OG-N 3.45Å; S767-E770 VanDerWaalsContact OG-N 3.1Å; S767-K771 WeakPolarHBondContact O-CG 3.47Å; S767-K771 PolarHBondContact O-N 2.97Å; S767-K771 VanDerWaalsContact O-N 3.11Å
768	E	86	Confident	90.7	Very high	104 Å²	104	59.9 Å²	59.9	49%	0.486	31%	0.309	S	S	.	.	H	α-helix	trans	-69	-22.6	174.9	-59.5	-51.4	134.3	0	0	112.8	K771 K772	E768-K771 IonicContact OE1-NZ 2.71Å; E768-K771 PolarHBondContact OE1-NZ 3.41Å; E768-K771 IonicContact OE2-NZ 3.81Å; E768-K772 VanDerWaalsContact O-CG 3.31Å; E768-K772 WeakPolarHBondContact O-CG 3.19Å; E768-K772 PolarHBondContact O-N 2.76Å
769	E	88.6	Confident	90.7	Very high	151 Å²	151	63 Å²	63	71%	0.706	32%	0.322	S	S	*	.	H	α-helix	trans	-74	-44.5	175	-65.5	173	178.9	0	0	110.4	S767 K771 K772 T773	S767-E769 PolarHBondContact O-N 2.97Å; S767-E769 PolarHBondContact OG-N 2.85Å; E769-K771 VanDerWaalsContact C-N 3.34Å; E769-K771 PolarHBondContact O-N 3.3Å; E769-K772 PolarHBondContact O-N 3.14Å; E769-T773 PolarHBondContact O-N 3.1Å; E769-T773 PolarHBondContact O-OG1 3.2Å; E769-T773 VanDerWaalsContact O-OG1 3.1Å
770	E	90.5	Very high	90.7	Very high	101 Å²	101	67.7 Å²	67.7	47%	0.472	35%	0.347	S	S	.	.	H	α-helix	trans	-60.5	-42.4	174.4	-70.6	167.5	163.1	0	0	111.5	M766 S767 K772 T773 I774	M766-E770 VanDerWaalsContact CA-OE2 3.24Å; M766-E770 WeakPolarHBondContact CA-OE2 3.31Å; M766-E770 HydrophobicContact CB-CB 4.42Å; S767-E770 PolarHBondContact N-OE2 3.35Å; S767-E770 PolarHBondContact O-N 2.96Å; S767-E770 WeakPolarHBondContact OG-CG 3.3Å; S767-E770 PolarHBondContact OG-N 3.45Å; S767-E770 VanDerWaalsContact OG-N 3.1Å; E770-K772 PolarHBondContact O-N 3.41Å; E770-T773 PolarHBondContact O-N 3.2Å; E770-I774 VanDerWaalsContact O-CG1 3.31Å; E770-I774 WeakPolarHBondContact O-CG1 3.48Å; E770-I774 PolarHBondContact O-N 3.23Å
771	K	91.1	Very high	90.9	Very high	6 Å²	6	68.8 Å²	68.8	3%	0.026	34%	0.344	C	S	.	.	H	α-helix	trans	-62.3	-40.8	175.9	-68.3	169.1	-153.6	170.2	0	112.4	Y757 Y762 M766 S767 E768 E769 I774 N775	Y757-K771 PolarHBondContact OH-NZ 2.95Å; Y762-K771 HydrophobicContact CD1-CB 4.39Å; Y762-K771 HydrophobicContact CD1-CG 3.87Å; Y762-K771 HydrophobicContact CD2-CD 4.33Å; Y762-K771 HydrophobicContact CD2-CG 4.47Å; Y762-K771 HydrophobicContact CE1-CB 4.17Å; Y762-K771 HydrophobicContact CE1-CG 4.13Å; Y762-K771 HydrophobicContact CG-CD 4.33Å; Y762-K771 HydrophobicContact CG-CG 4.06Å; M766-K771 HydrophobicContact CB-CG 4.32Å; M766-K771 WeakPolarHBondContact O-CE 3.49Å; M766-K771 PolarHBondContact O-NZ 3.2Å; S767-K771 WeakPolarHBondContact O-CG 3.47Å; S767-K771 PolarHBondContact O-N 2.97Å; S767-K771 VanDerWaalsContact O-N 3.11Å; E768-K771 IonicContact OE1-NZ 2.71Å; E768-K771 PolarHBondContact OE1-NZ 3.41Å; E768-K771 IonicContact OE2-NZ 3.81Å; E769-K771 VanDerWaalsContact C-N 3.34Å; E769-K771 PolarHBondContact O-N 3.3Å; K771-I774 PolarHBondContact O-N 2.77Å; K771-N775 WeakPolarHBondContact O-CB 3.41Å; K771-N775 PolarHBondContact O-N 3.11Å; K771-N775 PolarHBondContact O-ND2 3.44Å
772	K	91	Very high	91	Very high	132 Å²	132	68.5 Å²	68.5	57%	0.574	34%	0.343	S	S	*	.	H	α-helix	trans	-61.7	-47.6	173.8	-74.6	171.1	-176.2	178.4	0	111	E768 E769 E770 I774 N775 E776	E768-K772 VanDerWaalsContact O-CG 3.31Å; E768-K772 WeakPolarHBondContact O-CG 3.19Å; E768-K772 PolarHBondContact O-N 2.76Å; E769-K772 PolarHBondContact O-N 3.14Å; E770-K772 PolarHBondContact O-N 3.41Å; K772-I774 VanDerWaalsContact C-N 3.34Å; K772-I774 PolarHBondContact O-N 3.27Å; K772-N775 PolarHBondContact O-N 2.99Å; K772-E776 WeakPolarHBondContact O-CB 3.13Å; K772-E776 WeakPolarHBondContact O-CG 3.36Å; K772-E776 PolarHBondContact O-N 2.92Å
773	T	93.3	Very high	91.1	Very high	73 Å²	73	68.8 Å²	68.8	45%	0.448	35%	0.346	S	S	.	.	H	α-helix	trans	-59.5	-42.2	176.4	-54.2	0	0	0	0	112.2	E769 E770 E776 N777	E769-T773 PolarHBondContact O-N 3.1Å; E769-T773 PolarHBondContact O-OG1 3.2Å; E769-T773 VanDerWaalsContact O-OG1 3.1Å; E770-T773 PolarHBondContact O-N 3.2Å; T773-E776 PolarHBondContact O-N 3.39Å; T773-N777 WeakPolarHBondContact O-CB 3.28Å; T773-N777 PolarHBondContact O-N 3.23Å; T773-N777 PolarHBondContact O-ND2 3.23Å
774	I	92	Very high	91.4	Very high	37 Å²	37	69.5 Å²	69.5	19%	0.19	35%	0.347	C	S	.	.	H	α-helix	trans	-61.8	-46.6	175	-71.8	164.7	0	0	0	110.8	M766 E770 K771 K772 N777 L778	M766-I774 HydrophobicContact CE-CD1 3.54Å; M766-I774 HydrophobicContact SD-CD1 3.51Å; M766-I774 VanDerWaalsContact SD-CD1 3.51Å; E770-I774 VanDerWaalsContact O-CG1 3.31Å; E770-I774 WeakPolarHBondContact O-CG1 3.48Å; E770-I774 PolarHBondContact O-N 3.23Å; K771-I774 PolarHBondContact O-N 2.77Å; K772-I774 VanDerWaalsContact C-N 3.34Å; K772-I774 PolarHBondContact O-N 3.27Å; I774-N777 PolarHBondContact O-N 3.04Å; I774-L778 HydrophobicContact CG2-CD1 3.71Å; I774-L778 HydrophobicContact CG2-CG 4.34Å; I774-L778 WeakPolarHBondContact O-CB 3.35Å; I774-L778 VanDerWaalsContact O-CG 3.26Å; I774-L778 WeakPolarHBondContact O-CG 3.38Å; I774-L778 PolarHBondContact O-N 3.43Å
775	N	92.3	Very high	91.7	Very high	64 Å²	64	70.5 Å²	70.5	34%	0.342	35%	0.352	S	S	.	.	H	α-helix	trans	-66.4	-38.4	179.8	-71.4	-26.3	0	0	0	112.9	Y762 K771 K772 K779	Y762-N775 PolarHBondContact OH-ND2 3.44Å; Y762-N775 PolarHBondContact OH-OD1 2.89Å; K771-N775 WeakPolarHBondContact O-CB 3.41Å; K771-N775 PolarHBondContact O-N 3.11Å; K771-N775 PolarHBondContact O-ND2 3.44Å; K772-N775 PolarHBondContact O-N 2.99Å; N775-K779 WeakPolarHBondContact O-CB 3.41Å; N775-K779 PolarHBondContact O-N 3Å
776	E	93.1	Very high	92.1	Very high	121 Å²	121	68.5 Å²	68.5	57%	0.565	34%	0.338	S	S	*	.	H	α-helix	trans	-63.8	-45.6	173	-74.3	172.4	-170.5	0	0	111.1	K772 T773 K779 L780	K772-E776 WeakPolarHBondContact O-CB 3.13Å; K772-E776 WeakPolarHBondContact O-CG 3.36Å; K772-E776 PolarHBondContact O-N 2.92Å; T773-E776 PolarHBondContact O-N 3.39Å; E776-K779 PolarHBondContact O-N 3.39Å; E776-L780 WeakPolarHBondContact O-CB 3.4Å; E776-L780 WeakPolarHBondContact O-CG 3.28Å; E776-L780 PolarHBondContact O-N 3.2Å
777	N	94.3	Very high	92.4	Very high	96 Å²	96	72.9 Å²	72.9	51%	0.513	36%	0.356	S	S	.	.	H	α-helix	trans	-62	-43.9	175.8	-72	-22.5	0	0	0	112.3	T773 I774 L780 H781	T773-N777 WeakPolarHBondContact O-CB 3.28Å; T773-N777 PolarHBondContact O-N 3.23Å; T773-N777 PolarHBondContact O-ND2 3.23Å; I774-N777 PolarHBondContact O-N 3.04Å; N777-L780 PolarHBondContact O-N 2.95Å; N777-H781 VanDerWaalsContact O-CB 3.3Å; N777-H781 WeakPolarHBondContact O-CB 3.46Å; N777-H781 PolarHBondContact O-N 3.06Å
778	L	92.9	Very high	92.8	Very high	19 Å²	19	73.3 Å²	73.3	10%	0.099	35%	0.353	C	S	.	.	H	α-helix	trans	-64.2	-40.5	175.8	-72.5	168	0	0	0	111.9	V761 I774 H781 Y782 T947 Y951	V761-L778 HydrophobicContact CG1-CD1 4.28Å; I774-L778 HydrophobicContact CG2-CD1 3.71Å; I774-L778 HydrophobicContact CG2-CG 4.34Å; I774-L778 WeakPolarHBondContact O-CB 3.35Å; I774-L778 VanDerWaalsContact O-CG 3.26Å; I774-L778 WeakPolarHBondContact O-CG 3.38Å; I774-L778 PolarHBondContact O-N 3.43Å; L778-H781 PolarHBondContact O-N 3.07Å; L778-Y782 WeakPolarHBondContact O-CB 3.27Å; L778-Y782 PolarHBondContact O-N 3.11Å; L778-T947 HydrophobicContact CD1-CG2 3.73Å; L778-Y951 HydrophobicContact CD2-CE2 4.45Å
779	K	93.8	Very high	93.1	Very high	72 Å²	72	68.8 Å²	68.8	31%	0.313	33%	0.331	S	S	.	.	H	α-helix	trans	-64.3	-41.6	175.1	178.7	153.4	-175.5	172.3	0	111.5	N775 E776 N783 D940 I943	N775-K779 WeakPolarHBondContact O-CB 3.41Å; N775-K779 PolarHBondContact O-N 3Å; E776-K779 PolarHBondContact O-N 3.39Å; K779-N783 WeakPolarHBondContact O-CB 3.31Å; K779-N783 PolarHBondContact O-N 2.85Å; K779-N783 PolarHBondContact O-ND2 2.93Å; K779-D940 IonicContact NZ-OD1 2.65Å; K779-D940 PolarHBondContact NZ-OD1 2.78Å; K779-D940 IonicContact NZ-OD2 3.78Å; K779-I943 HydrophobicContact CB-CD1 4.36Å; K779-I943 HydrophobicContact CB-CG2 4.41Å; K779-I943 HydrophobicContact CD-CD1 3.91Å; K779-I943 HydrophobicContact CG-CD1 3.76Å
780	L	94.6	Very high	93.4	Very high	103 Å²	103	63.9 Å²	63.9	54%	0.539	31%	0.312	S	S	.	.	H	α-helix	trans	-63.8	-52.9	173.9	-71.9	171	0	0	0	111.1	E776 N777 Y782 N783 E784	E776-L780 WeakPolarHBondContact O-CB 3.4Å; E776-L780 WeakPolarHBondContact O-CG 3.28Å; E776-L780 PolarHBondContact O-N 3.2Å; N777-L780 PolarHBondContact O-N 2.95Å; L780-Y782 PolarHBondContact O-N 2.89Å; L780-N783 PolarHBondContact O-N 3.47Å; L780-N783 VanDerWaalsContact O-N 3.1Å; L780-E784 WeakPolarHBondContact O-CG 3.06Å; L780-E784 PolarHBondContact O-N 3.22Å
781	H	94.7	Very high	93.4	Very high	53 Å²	53	65.5 Å²	65.5	25%	0.245	32%	0.317	C	S	.	.	H	α-helix	trans	-56.1	-47.4	-179.8	-176.6	81.5	0	0	0	112.8	N777 L778 N783 E784 K785 E885	N777-H781 VanDerWaalsContact O-CB 3.3Å; N777-H781 WeakPolarHBondContact O-CB 3.46Å; N777-H781 PolarHBondContact O-N 3.06Å; L778-H781 PolarHBondContact O-N 3.07Å; H781-N783 VanDerWaalsContact C-N 3.34Å; H781-N783 PolarHBondContact O-N 3.11Å; H781-E784 PolarHBondContact O-N 2.75Å; H781-K785 WeakPolarHBondContact O-CG 3.36Å; H781-K785 PolarHBondContact O-N 3.3Å; H781-E885 IonicContact CD2-OE1 3.27Å; H781-E885 IonicContact CE1-OE1 3.92Å; H781-E885 PolarHBondContact CE1-OE1 3.37Å; H781-E885 IonicContact NE2-OE1 3.81Å; H781-E885 PolarHBondContact NE2-OE1 3.02Å; H781-E885 IonicContact NE2-OE2 3.75Å
782	Y	95.3	Very high	93.3	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-58.3	-46.8	175.7	-176.4	-103.9	0	0	0	111.6	L778 L780 E784 K785 L786 T881 E942 I943 Y946	L778-Y782 WeakPolarHBondContact O-CB 3.27Å; L778-Y782 PolarHBondContact O-N 3.11Å; L780-Y782 PolarHBondContact O-N 2.89Å; Y782-E784 VanDerWaalsContact C-N 3.33Å; Y782-E784 PolarHBondContact O-N 3.05Å; Y782-K785 PolarHBondContact O-N 3.41Å; Y782-L786 HydrophobicContact CE1-CD2 4.03Å; Y782-L786 WeakPolarHBondContact O-CB 3.17Å; Y782-L786 PolarHBondContact O-N 3.43Å; Y782-T881 HydrophobicContact CD2-CG2 3.65Å; Y782-T881 HydrophobicContact CE2-CG2 3.62Å; Y782-E942 HydrophobicContact CE1-CG 4.01Å; Y782-E942 WeakPolarHBondContact OH-CG 3.47Å; Y782-E942 PolarHBondContact OH-OE1 2.92Å; Y782-I943 HydrophobicContact CD1-CG1 3.61Å; Y782-I943 HydrophobicContact CE1-CG1 4.17Å; Y782-I943 HydrophobicContact CG-CG1 4.2Å; Y782-Y946 AromaticContact CD2-CD1 3.34Å; Y782-Y946 HydrophobicContact CD2-CD1 3.34Å; Y782-Y946 AromaticContact CD2-CD2 3.82Å; Y782-Y946 HydrophobicContact CD2-CD2 3.82Å; Y782-Y946 AromaticContact CD2-CE1 3.67Å; Y782-Y946 HydrophobicContact CD2-CE1 3.67Å; Y782-Y946 HydrophobicContact CD2-CE2 4.13Å; Y782-Y946 AromaticContact CD2-CG 3.41Å; Y782-Y946 HydrophobicContact CD2-CG 3.41Å; Y782-Y946 VanDerWaalsContact CD2-CG 3.41Å; Y782-Y946 HydrophobicContact CE2-CD1 4Å; Y782-Y946 AromaticContact CE2-CD2 3.78Å; Y782-Y946 HydrophobicContact CE2-CD2 3.78Å; Y782-Y946 HydrophobicContact CE2-CE2 4.39Å; Y782-Y946 AromaticContact CE2-CG 3.56Å; Y782-Y946 HydrophobicContact CE2-CG 3.56Å; Y782-Y946 HydrophobicContact CG-CD1 4.11Å; Y782-Y946 HydrophobicContact CG-CE1 4.41Å; Y782-Y946 HydrophobicContact CG-CG 4.49Å
783	N	94.5	Very high	93.4	Very high	40 Å²	40	60.3 Å²	60.3	21%	0.214	30%	0.295	C	S	.	.	H	α-helix	trans	-67.5	-30.8	-180	-83	-71.6	0	0	0	113.2	K779 L780 H781 K787	K779-N783 WeakPolarHBondContact O-CB 3.31Å; K779-N783 PolarHBondContact O-N 2.85Å; K779-N783 PolarHBondContact O-ND2 2.93Å; L780-N783 PolarHBondContact O-N 3.47Å; L780-N783 VanDerWaalsContact O-N 3.1Å; H781-N783 VanDerWaalsContact C-N 3.34Å; H781-N783 PolarHBondContact O-N 3.11Å; N783-K787 WeakPolarHBondContact O-CB 3.41Å; N783-K787 VanDerWaalsContact O-CD 3.23Å; N783-K787 WeakPolarHBondContact O-CD 3.46Å; N783-K787 WeakPolarHBondContact O-CG 3.42Å; N783-K787 PolarHBondContact O-N 3.4Å
784	E	95.1	Very high	93.2	Very high	108 Å²	108	63.5 Å²	63.5	51%	0.505	30%	0.302	S	S	.	.	H	α-helix	trans	-69.2	-52.3	173.2	-73.4	179	168.1	0	0	111.1	L780 H781 Y782 L786 K787 E788	L780-E784 WeakPolarHBondContact O-CG 3.06Å; L780-E784 PolarHBondContact O-N 3.22Å; H781-E784 PolarHBondContact O-N 2.75Å; Y782-E784 VanDerWaalsContact C-N 3.33Å; Y782-E784 PolarHBondContact O-N 3.05Å; E784-L786 VanDerWaalsContact C-N 3.34Å; E784-L786 PolarHBondContact O-N 3.21Å; E784-K787 WeakPolarHBondContact O-CB 3.4Å; E784-K787 PolarHBondContact O-N 3.08Å; E784-K787 VanDerWaalsContact O-N 3.07Å; E784-E788 PolarHBondContact O-N 3.27Å
785	K	94.1	Very high	93	Very high	45 Å²	45	63.8 Å²	63.8	20%	0.196	30%	0.304	C	S	.	.	H	α-helix	trans	-61.7	-40.9	178.4	-64.8	-68.7	156.7	-143.2	0	112.2	H781 Y782 K787 E788 W789 T881	H781-K785 WeakPolarHBondContact O-CG 3.36Å; H781-K785 PolarHBondContact O-N 3.3Å; Y782-K785 PolarHBondContact O-N 3.41Å; K785-K787 VanDerWaalsContact C-N 3.31Å; K785-K787 PolarHBondContact O-N 3.39Å; K785-E788 IonicContact NZ-OE1 3.58Å; K785-E788 PolarHBondContact NZ-OE1 3.07Å; K785-E788 IonicContact NZ-OE2 3.3Å; K785-E788 PolarHBondContact NZ-OE2 3.38Å; K785-E788 WeakPolarHBondContact O-CB 3.4Å; K785-E788 PolarHBondContact O-N 3.3Å; K785-W789 PolarHBondContact O-N 3.49Å; K785-W789 VanDerWaalsContact O-N 3.09Å; K785-T881 HydrophobicContact CB-CG2 3.65Å
786	L	94.4	Very high	92.8	Very high	30 Å²	30	61.2 Å²	61.2	16%	0.157	29%	0.29	C	S	.	.	H	α-helix	trans	-57.2	-42	172.9	-179.3	59.5	0	0	0	112.1	Y782 E784 W789 T790 R877	Y782-L786 HydrophobicContact CE1-CD2 4.03Å; Y782-L786 WeakPolarHBondContact O-CB 3.17Å; Y782-L786 PolarHBondContact O-N 3.43Å; E784-L786 VanDerWaalsContact C-N 3.34Å; E784-L786 PolarHBondContact O-N 3.21Å; L786-W789 HydrophobicContact CD1-CH2 4.15Å; L786-W789 HydrophobicContact CD1-CZ2 3.34Å; L786-T790 WeakPolarHBondContact O-CB 3.44Å; L786-T790 PolarHBondContact O-N 3Å; L786-T790 VanDerWaalsContact O-N 3.16Å; L786-T790 PolarHBondContact O-OG1 2.99Å; L786-R877 HydrophobicContact CD1-CG 4.47Å
787	K	94.2	Very high	92.4	Very high	128 Å²	128	62.3 Å²	62.3	56%	0.557	29%	0.289	S	S	*	.	H	α-helix	trans	-70.2	-37.3	176.6	-72.7	163.9	-167.7	166.6	0	112.6	N783 E784 K785 K791	N783-K787 WeakPolarHBondContact O-CB 3.41Å; N783-K787 VanDerWaalsContact O-CD 3.23Å; N783-K787 WeakPolarHBondContact O-CD 3.46Å; N783-K787 WeakPolarHBondContact O-CG 3.42Å; N783-K787 PolarHBondContact O-N 3.4Å; E784-K787 WeakPolarHBondContact O-CB 3.4Å; E784-K787 PolarHBondContact O-N 3.08Å; E784-K787 VanDerWaalsContact O-N 3.07Å; K785-K787 VanDerWaalsContact C-N 3.31Å; K785-K787 PolarHBondContact O-N 3.39Å; K787-K791 WeakPolarHBondContact O-CD 3.42Å; K787-K791 VanDerWaalsContact O-CG 3.29Å; K787-K791 WeakPolarHBondContact O-CG 3.44Å; K787-K791 PolarHBondContact O-N 3.36Å
788	E	92.7	Very high	92	Very high	57 Å²	57	61.7 Å²	61.7	27%	0.266	29%	0.289	S	S	.	.	H	α-helix	trans	-59.9	-63.3	175.9	-73.1	172.4	-158.3	0	0	111.2	E784 K785 T790 K791 I792 W884	E784-E788 PolarHBondContact O-N 3.27Å; K785-E788 IonicContact NZ-OE1 3.58Å; K785-E788 PolarHBondContact NZ-OE1 3.07Å; K785-E788 IonicContact NZ-OE2 3.3Å; K785-E788 PolarHBondContact NZ-OE2 3.38Å; K785-E788 WeakPolarHBondContact O-CB 3.4Å; K785-E788 PolarHBondContact O-N 3.3Å; E788-T790 VanDerWaalsContact C-N 3.27Å; E788-T790 PolarHBondContact O-N 3.02Å; E788-K791 WeakPolarHBondContact O-CB 3.34Å; E788-K791 PolarHBondContact O-N 3Å; E788-I792 PolarHBondContact O-N 2.85Å; E788-W884 PolarHBondContact OE2-NE1 3.4Å
789	W	93.5	Very high	91.4	Very high	8 Å²	8	63.3 Å²	63.3	3%	0.03	30%	0.296	C	S	.	.	H	α-helix	trans	-68.3	-27.5	-174.8	73.5	-109.4	0	0	0	112.7	K785 L786 K791 I792 K793 F840 R877 L880 T881 W884	K785-W789 PolarHBondContact O-N 3.49Å; K785-W789 VanDerWaalsContact O-N 3.09Å; L786-W789 HydrophobicContact CD1-CH2 4.15Å; L786-W789 HydrophobicContact CD1-CZ2 3.34Å; W789-K791 VanDerWaalsContact C-N 3.32Å; W789-K791 PolarHBondContact O-N 3.47Å; W789-I792 PolarHBondContact O-N 3.21Å; W789-K793 HydrophobicContact CE3-CB 4.34Å; W789-K793 HydrophobicContact CE3-CD 4.1Å; W789-K793 HydrophobicContact CZ3-CD 3.59Å; W789-K793 WeakPolarHBondContact O-CB 3.32Å; W789-K793 PolarHBondContact O-N 3.21Å; W789-F840 HydrophobicContact CB-CE1 4.04Å; W789-F840 HydrophobicContact CB-CE2 4.37Å; W789-F840 HydrophobicContact CB-CZ 3.64Å; W789-F840 HydrophobicContact CD2-CZ 4.28Å; W789-F840 HydrophobicContact CE3-CZ 4.18Å; W789-F840 HydrophobicContact CG-CZ 4.11Å; W789-R877 HydrophobicContact CH2-CG 4.36Å; W789-R877 HydrophobicContact CZ2-CB 4.39Å; W789-R877 HydrophobicContact CZ2-CG 4.37Å; W789-L880 HydrophobicContact CD2-CB 4.12Å; W789-L880 HydrophobicContact CE3-CB 4.29Å; W789-L880 HydrophobicContact CE3-CD1 4.25Å; W789-L880 HydrophobicContact CH2-CB 3.99Å; W789-L880 HydrophobicContact CH2-CD1 3.69Å; W789-L880 HydrophobicContact CZ2-CB 3.74Å; W789-L880 HydrophobicContact CZ2-CD1 4.31Å; W789-L880 HydrophobicContact CZ3-CB 4.26Å; W789-L880 HydrophobicContact CZ3-CD1 3.67Å; W789-T881 PolarHBondContact NE1-OG1 2.72Å; W789-W884 HydrophobicContact CB-CB 3.95Å; W789-W884 HydrophobicContact CB-CD2 3.85Å; W789-W884 HydrophobicContact CB-CE3 4.3Å; W789-W884 HydrophobicContact CB-CG 3.63Å; W789-W884 HydrophobicContact CG-CB 4.26Å; W789-W884 HydrophobicContact CG-CG 4.35Å
790	T	93.3	Very high	90.8	Very high	48 Å²	48	63.6 Å²	63.6	29%	0.294	30%	0.299	S	S	.	.	H	α-helix	trans	-65	-33	173.2	-65.5	0	0	0	0	112.4	L786 E788 K794	L786-T790 WeakPolarHBondContact O-CB 3.44Å; L786-T790 PolarHBondContact O-N 3Å; L786-T790 VanDerWaalsContact O-N 3.16Å; L786-T790 PolarHBondContact O-OG1 2.99Å; E788-T790 VanDerWaalsContact C-N 3.27Å; E788-T790 PolarHBondContact O-N 3.02Å; T790-K794 WeakPolarHBondContact O-CG 3.42Å; T790-K794 PolarHBondContact O-N 2.8Å
791	K	91.7	Very high	90.2	Very high	136 Å²	136	63.3 Å²	63.3	59%	0.591	30%	0.297	S	S	*	.	H	α-helix	trans	-65.4	-45.2	171	-68.3	161.5	-176	176.5	0	110.2	K787 E788 W789 K794 I795	K787-K791 WeakPolarHBondContact O-CD 3.42Å; K787-K791 VanDerWaalsContact O-CG 3.29Å; K787-K791 WeakPolarHBondContact O-CG 3.44Å; K787-K791 PolarHBondContact O-N 3.36Å; E788-K791 WeakPolarHBondContact O-CB 3.34Å; E788-K791 PolarHBondContact O-N 3Å; W789-K791 VanDerWaalsContact C-N 3.32Å; W789-K791 PolarHBondContact O-N 3.47Å; K791-K794 WeakPolarHBondContact O-CB 3.48Å; K791-K794 PolarHBondContact O-N 3.26Å; K791-K794 VanDerWaalsContact O-N 3.15Å; K791-I795 PolarHBondContact O-N 3.15Å; K791-I795 VanDerWaalsContact O-N 3.14Å
792	I	89.7	Confident	89.4	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-67.3	-41.5	-176.9	-64.7	169.7	0	0	0	111.6	E788 W789 K794 I795 I796 Y832 L837 F840 W884	E788-I792 PolarHBondContact O-N 2.85Å; W789-I792 PolarHBondContact O-N 3.21Å; I792-K794 PolarHBondContact O-N 2.8Å; I792-I795 WeakPolarHBondContact O-CA 3.44Å; I792-I795 WeakPolarHBondContact O-CB 3.5Å; I792-I795 PolarHBondContact O-N 2.67Å; I792-I796 HydrophobicContact CG2-CD1 3.82Å; I792-I796 HydrophobicContact CG2-CG1 4.31Å; I792-I796 WeakPolarHBondContact O-CG1 3.34Å; I792-I796 PolarHBondContact O-N 3.47Å; I792-Y832 HydrophobicContact CD1-CD1 4.26Å; I792-Y832 HydrophobicContact CD1-CE1 3.7Å; I792-Y832 HydrophobicContact CD1-CE2 4.42Å; I792-Y832 HydrophobicContact CG1-CE2 4.41Å; I792-L837 HydrophobicContact CG2-CD2 3.7Å; I792-F840 HydrophobicContact CG2-CD1 3.91Å; I792-F840 HydrophobicContact CG2-CE1 4.44Å; I792-W884 HydrophobicContact CD1-CE3 4.46Å; I792-W884 HydrophobicContact CD1-CH2 3.11Å; I792-W884 HydrophobicContact CD1-CZ2 3.31Å; I792-W884 HydrophobicContact CD1-CZ3 3.73Å
793	K	91.3	Very high	88.4	Confident	28 Å²	28	70 Å²	70	12%	0.122	33%	0.331	C	S	.	.	H	α-helix	trans	-58.7	-30.2	172.7	-172.5	172.2	-173.1	164.2	0	112.8	W789 R797 L844 E876	W789-K793 HydrophobicContact CE3-CB 4.34Å; W789-K793 HydrophobicContact CE3-CD 4.1Å; W789-K793 HydrophobicContact CZ3-CD 3.59Å; W789-K793 WeakPolarHBondContact O-CB 3.32Å; W789-K793 PolarHBondContact O-N 3.21Å; K793-R797 VanDerWaalsContact O-CG 3.29Å; K793-R797 WeakPolarHBondContact O-CG 3.29Å; K793-R797 PolarHBondContact O-N 3.19Å; K793-L844 HydrophobicContact CB-CD1 4.41Å; K793-L844 HydrophobicContact CD-CD2 3.63Å; K793-L844 HydrophobicContact CG-CD1 4.14Å; K793-L844 HydrophobicContact CG-CD2 4Å; K793-E876 IonicContact NZ-OE1 2.74Å; K793-E876 PolarHBondContact NZ-OE1 3.27Å
794	K	90.1	Very high	87.2	Confident	139 Å²	139	71.8 Å²	71.8	60%	0.604	34%	0.343	S	S	*	.	H	α-helix	trans	-72.7	-41.5	171.9	-68.2	171.1	-177.6	-179.6	0	111.8	T790 K791 I792 V798	T790-K794 WeakPolarHBondContact O-CG 3.42Å; T790-K794 PolarHBondContact O-N 2.8Å; K791-K794 WeakPolarHBondContact O-CB 3.48Å; K791-K794 PolarHBondContact O-N 3.26Å; K791-K794 VanDerWaalsContact O-N 3.15Å; I792-K794 PolarHBondContact O-N 2.8Å; K794-V798 WeakPolarHBondContact O-CG2 3.46Å; K794-V798 PolarHBondContact O-N 3.22Å; K794-V798 VanDerWaalsContact O-N 3.12Å
795	I	87.9	Confident	85.9	Confident	44 Å²	44	72.2 Å²	72.2	23%	0.226	34%	0.343	C	S	.	.	H	α-helix	trans	-61.5	-50.5	176.3	-64.6	167.9	0	0	0	110.4	K791 I792 R797 V798 M799 L829	K791-I795 PolarHBondContact O-N 3.15Å; K791-I795 VanDerWaalsContact O-N 3.14Å; I792-I795 WeakPolarHBondContact O-CA 3.44Å; I792-I795 WeakPolarHBondContact O-CB 3.5Å; I792-I795 PolarHBondContact O-N 2.67Å; I795-R797 PolarHBondContact O-N 3.12Å; I795-V798 PolarHBondContact O-N 3.2Å; I795-M799 HydrophobicContact CG2-SD 3.97Å; I795-M799 WeakPolarHBondContact O-CG 3.49Å; I795-M799 PolarHBondContact O-N 3.25Å; I795-L829 HydrophobicContact CG2-CD1 4.2Å
796	I	86.9	Confident	84.2	Confident	9 Å²	9	73.4 Å²	73.4	5%	0.046	35%	0.352	C	S	.	.	H	α-helix	trans	-55.7	-49.3	178.3	-70	170.3	0	0	0	111	I792 V798 M799 E800 L837 F840 L844	I792-I796 HydrophobicContact CG2-CD1 3.82Å; I792-I796 HydrophobicContact CG2-CG1 4.31Å; I792-I796 WeakPolarHBondContact O-CG1 3.34Å; I792-I796 PolarHBondContact O-N 3.47Å; I796-V798 VanDerWaalsContact C-N 3.28Å; I796-V798 PolarHBondContact O-N 2.85Å; I796-M799 WeakPolarHBondContact O-CB 3.26Å; I796-M799 PolarHBondContact O-N 2.83Å; I796-E800 HydrophobicContact CG2-CG 4.32Å; I796-E800 WeakPolarHBondContact CG2-OE1 3.43Å; I796-E800 WeakPolarHBondContact O-CG 3.41Å; I796-E800 PolarHBondContact O-N 2.98Å; I796-L837 HydrophobicContact CG1-CD2 4.36Å; I796-F840 HydrophobicContact CD1-CD1 3.85Å; I796-L844 HydrophobicContact CD1-CD1 3.96Å
797	R	85.4	Confident	82.5	Confident	145 Å²	145	76.6 Å²	76.6	55%	0.547	37%	0.373	S	S	.	.	H	α-helix	trans	-58.7	-36.4	175.9	-76.8	175.8	176.9	-175.4	-0.7	113.6	K793 I795 L801	K793-R797 VanDerWaalsContact O-CG 3.29Å; K793-R797 WeakPolarHBondContact O-CG 3.29Å; K793-R797 PolarHBondContact O-N 3.19Å; I795-R797 PolarHBondContact O-N 3.12Å; R797-L801 VanDerWaalsContact O-CB 3.27Å; R797-L801 WeakPolarHBondContact O-CB 3.2Å; R797-L801 WeakPolarHBondContact O-CD1 3.4Å; R797-L801 WeakPolarHBondContact O-CG 3.37Å; R797-L801 PolarHBondContact O-N 2.62Å
798	V	85.6	Confident	80.8	Confident	83 Å²	83	73.9 Å²	73.9	50%	0.503	37%	0.367	S	S	.	.	H	α-helix	trans	-70	-37.4	176.2	170.4	0	0	0	0	111	K794 I795 I796 N802	K794-V798 WeakPolarHBondContact O-CG2 3.46Å; K794-V798 PolarHBondContact O-N 3.22Å; K794-V798 VanDerWaalsContact O-N 3.12Å; I795-V798 PolarHBondContact O-N 3.2Å; I796-V798 VanDerWaalsContact C-N 3.28Å; I796-V798 PolarHBondContact O-N 2.85Å; V798-N802 WeakPolarHBondContact O-CB 3.5Å; V798-N802 PolarHBondContact O-N 2.82Å; V798-N802 PolarHBondContact O-ND2 3.04Å
799	M	81.2	Confident	79	Confident	52 Å²	52	75.8 Å²	75.8	26%	0.256	38%	0.379	S	S	.	.	H	α-helix	trans	-64.1	-51.8	174	-66.2	171.5	64.3	0	0	111.2	I795 I796 L801 N802 E803 L829 L837	I795-M799 HydrophobicContact CG2-SD 3.97Å; I795-M799 WeakPolarHBondContact O-CG 3.49Å; I795-M799 PolarHBondContact O-N 3.25Å; I796-M799 WeakPolarHBondContact O-CB 3.26Å; I796-M799 PolarHBondContact O-N 2.83Å; M799-L801 VanDerWaalsContact C-N 3.31Å; M799-L801 PolarHBondContact O-N 3.07Å; M799-N802 CarbonylContact O-C 3.43Å; M799-N802 WeakPolarHBondContact O-CA 3.44Å; M799-N802 PolarHBondContact O-N 2.87Å; M799-E803 PolarHBondContact O-N 3.14Å; M799-L829 HydrophobicContact SD-CD1 3.9Å; M799-L837 HydrophobicContact CE-CD1 4.43Å; M799-L837 HydrophobicContact SD-CD1 4.1Å
800	E	81.5	Confident	77	Confident	78 Å²	78	81.7 Å²	81.7	36%	0.364	41%	0.41	S	S	.	.	H	α-helix	trans	-56.2	-42.3	176.4	-68.6	164.7	175.1	0	0	112.1	I796 N802 T804	I796-E800 HydrophobicContact CG2-CG 4.32Å; I796-E800 WeakPolarHBondContact CG2-OE1 3.43Å; I796-E800 WeakPolarHBondContact O-CG 3.41Å; I796-E800 PolarHBondContact O-N 2.98Å; E800-N802 VanDerWaalsContact C-N 3.3Å; E800-N802 PolarHBondContact O-N 2.84Å; E800-T804 WeakPolarHBondContact O-CB 3.42Å; E800-T804 WeakPolarHBondContact O-CG2 3.16Å; E800-T804 PolarHBondContact O-N 2.94Å; E800-T804 PolarHBondContact O-OG1 2.86Å
801	L	81.3	Confident	75	Confident	98 Å²	98	83.5 Å²	83.5	51%	0.513	43%	0.425	S	S	.	.	H	α-helix	trans	-67.9	-25.8	175.5	-76.3	169.6	0	0	0	113.5	R797 M799 T804 K805	R797-L801 VanDerWaalsContact O-CB 3.27Å; R797-L801 WeakPolarHBondContact O-CB 3.2Å; R797-L801 WeakPolarHBondContact O-CD1 3.4Å; R797-L801 WeakPolarHBondContact O-CG 3.37Å; R797-L801 PolarHBondContact O-N 2.62Å; M799-L801 VanDerWaalsContact C-N 3.31Å; M799-L801 PolarHBondContact O-N 3.07Å; L801-T804 WeakPolarHBondContact CA-OG1 3.48Å; L801-T804 PolarHBondContact O-OG1 2.8Å; L801-K805 WeakPolarHBondContact O-CB 3.25Å; L801-K805 WeakPolarHBondContact O-CD 3.03Å; L801-K805 WeakPolarHBondContact O-CE 3.23Å; L801-K805 WeakPolarHBondContact O-CG 3.41Å; L801-K805 PolarHBondContact O-N 2.94Å
802	N	78.6	Confident	73.3	Confident	75 Å²	75	83.9 Å²	83.9	40%	0.401	43%	0.429	S	S	.	.	H	α-helix	trans	-84.5	-39.3	176.1	-70.1	-20.1	0	0	0	111.3	V798 M799 E800 K805 N806	V798-N802 WeakPolarHBondContact O-CB 3.5Å; V798-N802 PolarHBondContact O-N 2.82Å; V798-N802 PolarHBondContact O-ND2 3.04Å; M799-N802 CarbonylContact O-C 3.43Å; M799-N802 WeakPolarHBondContact O-CA 3.44Å; M799-N802 PolarHBondContact O-N 2.87Å; E800-N802 VanDerWaalsContact C-N 3.3Å; E800-N802 PolarHBondContact O-N 2.84Å; N802-K805 PolarHBondContact O-N 2.9Å; N802-N806 WeakPolarHBondContact O-CB 3.46Å; N802-N806 PolarHBondContact O-N 3.2Å; N802-N806 PolarHBondContact O-ND2 2.83Å
803	E	73.4	Confident	71.4	Confident	118 Å²	118	88.3 Å²	88.3	55%	0.551	46%	0.456	S	S	*	.	H	α-helix	trans	-64.2	-43.5	174.4	-72.3	177.9	-173.9	0	0	111.9	M799 N806 T807	M799-E803 PolarHBondContact O-N 3.14Å; E803-N806 PolarHBondContact O-N 3.39Å; E803-T807 WeakPolarHBondContact O-CB 3.49Å; E803-T807 PolarHBondContact O-N 3.3Å; E803-T807 PolarHBondContact O-OG1 2.91Å
804	T	70.4	Confident	69	Low	77 Å²	77	94 Å²	94	47%	0.472	49%	0.488	S	S	.	.	H	α-helix	trans	-64.4	-41.2	175	47.8	0	0	0	0	112.2	E800 L801 T807 T808	E800-T804 WeakPolarHBondContact O-CB 3.42Å; E800-T804 WeakPolarHBondContact O-CG2 3.16Å; E800-T804 PolarHBondContact O-N 2.94Å; E800-T804 PolarHBondContact O-OG1 2.86Å; L801-T804 WeakPolarHBondContact CA-OG1 3.48Å; L801-T804 PolarHBondContact O-OG1 2.8Å; T804-T807 PolarHBondContact O-N 3.38Å; T804-T808 WeakPolarHBondContact O-CB 3.3Å; T804-T808 PolarHBondContact O-N 3.01Å; T804-T808 PolarHBondContact O-OG1 3.39Å
805	K	67.6	Low	66.7	Low	117 Å²	117	94.4 Å²	94.4	51%	0.509	50%	0.496	S	S	.	.	H	α-helix	trans	-61.7	-48.3	172.5	-76.5	169.1	-166.3	168.3	0	112	L801 N802 T807 T808 L809	L801-K805 WeakPolarHBondContact O-CB 3.25Å; L801-K805 WeakPolarHBondContact O-CD 3.03Å; L801-K805 WeakPolarHBondContact O-CE 3.23Å; L801-K805 WeakPolarHBondContact O-CG 3.41Å; L801-K805 PolarHBondContact O-N 2.94Å; N802-K805 PolarHBondContact O-N 2.9Å; K805-T807 VanDerWaalsContact C-N 3.35Å; K805-T807 PolarHBondContact O-N 3.45Å; K805-T808 PolarHBondContact O-N 3.38Å; K805-L809 WeakPolarHBondContact O-CB 3.35Å; K805-L809 VanDerWaalsContact O-CG 3.28Å; K805-L809 WeakPolarHBondContact O-CG 3.43Å; K805-L809 PolarHBondContact O-N 2.97Å
806	N	58.1	Low	64.4	Low	71 Å²	71	95.7 Å²	95.7	38%	0.38	52%	0.52	S	S	.	.	H	α-helix	trans	-62	-42.9	179.1	-71	-13.9	0	0	0	111.2	N802 E803 L809 L810	N802-N806 WeakPolarHBondContact O-CB 3.46Å; N802-N806 PolarHBondContact O-N 3.2Å; N802-N806 PolarHBondContact O-ND2 2.83Å; E803-N806 PolarHBondContact O-N 3.39Å; N806-L809 PolarHBondContact O-N 3.33Å; N806-L810 WeakPolarHBondContact O-CD1 3.4Å; N806-L810 PolarHBondContact O-N 3.45Å
807	T	58.3	Low	62.3	Low	97 Å²	97	103.6 Å²	103.6	60%	0.595	56%	0.557	S	S	*	*	H	α-helix	trans	-65.6	-40.7	177.5	-53.6	0	0	0	0	111.8	E803 T804 K805 L810 S811	E803-T807 WeakPolarHBondContact O-CB 3.49Å; E803-T807 PolarHBondContact O-N 3.3Å; E803-T807 PolarHBondContact O-OG1 2.91Å; T804-T807 PolarHBondContact O-N 3.38Å; K805-T807 VanDerWaalsContact C-N 3.35Å; K805-T807 PolarHBondContact O-N 3.45Å; T807-L810 PolarHBondContact O-N 2.93Å; T807-S811 WeakPolarHBondContact O-CB 2.85Å; T807-S811 PolarHBondContact O-N 3.3Å
808	T	58	Low	60.1	Low	71 Å²	71	103 Å²	103	44%	0.436	57%	0.569	S	S	.	*	H	α-helix	trans	-64.5	-42.6	175.2	-52.6	0	0	0	0	110.9	T804 K805 S811 Q812	T804-T808 WeakPolarHBondContact O-CB 3.3Å; T804-T808 PolarHBondContact O-N 3.01Å; T804-T808 PolarHBondContact O-OG1 3.39Å; K805-T808 PolarHBondContact O-N 3.38Å; T808-S811 PolarHBondContact O-N 3.31Å; T808-S811 PolarHBondContact O-OG 3.48Å; T808-Q812 WeakPolarHBondContact O-CG 3.41Å; T808-Q812 PolarHBondContact O-N 3.34Å
809	L	55.6	Low	57.7	Low	97 Å²	97	103.9 Å²	103.9	51%	0.508	59%	0.586	S	S	.	*	H	α-helix	trans	-64.8	-44.9	175.8	-72.2	167.7	0	0	0	111.9	K805 N806 S811 Q812 V813	K805-L809 WeakPolarHBondContact O-CB 3.35Å; K805-L809 VanDerWaalsContact O-CG 3.28Å; K805-L809 WeakPolarHBondContact O-CG 3.43Å; K805-L809 PolarHBondContact O-N 2.97Å; N806-L809 PolarHBondContact O-N 3.33Å; L809-S811 VanDerWaalsContact C-N 3.28Å; L809-S811 PolarHBondContact O-N 3.3Å; L809-Q812 PolarHBondContact O-N 3.43Å; L809-V813 WeakPolarHBondContact O-CG2 3.43Å; L809-V813 PolarHBondContact O-N 3.08Å; L809-V813 VanDerWaalsContact O-N 3.08Å
810	L	50.9	Low	55.9	Low	132 Å²	132	108.4 Å²	108.4	69%	0.691	61%	0.611	S	S	*	*	H	α-helix	trans	-60.8	-36.2	174.4	-93.5	84.1	0	0	0	112.2	N806 T807 Q812 V813	N806-L810 WeakPolarHBondContact O-CD1 3.4Å; N806-L810 PolarHBondContact O-N 3.45Å; T807-L810 PolarHBondContact O-N 2.93Å; L810-Q812 PolarHBondContact O-N 3.48Å; L810-V813 PolarHBondContact O-N 3.18Å
811	S	52.5	Low	54	Low	86 Å²	86	114.5 Å²	114.5	60%	0.601	64%	0.636	S	S	*	*	H	α-helix	trans	-67.7	-17.8	175.3	78.2	0	0	0	0	114.2	T807 T808 L809	T807-S811 WeakPolarHBondContact O-CB 2.85Å; T807-S811 PolarHBondContact O-N 3.3Å; T808-S811 PolarHBondContact O-N 3.31Å; T808-S811 PolarHBondContact O-OG 3.48Å; L809-S811 VanDerWaalsContact C-N 3.28Å; L809-S811 PolarHBondContact O-N 3.3Å
812	Q	56.1	Low	51.9	Low	144 Å²	144	117 Å²	117	67%	0.673	65%	0.649	S	S	*	*	H	α-helix	trans	-104.5	-12.4	-178.6	-70.1	179.6	-8.3	0	0	113.4	T808 L809 L810	T808-Q812 WeakPolarHBondContact O-CG 3.41Å; T808-Q812 PolarHBondContact O-N 3.34Å; L809-Q812 PolarHBondContact O-N 3.43Å; L810-Q812 PolarHBondContact O-N 3.48Å
813	V	48.6	Very low	49.8	Very low	94 Å²	94	119.6 Å²	119.6	57%	0.57	67%	0.668	S	S	*	*			trans	-107	59.9	-178.2	-173.2	0	0	0	0	111.2	L809 L810 N815	L809-V813 WeakPolarHBondContact O-CG2 3.43Å; L809-V813 PolarHBondContact O-N 3.08Å; L809-V813 VanDerWaalsContact O-N 3.08Å; L810-V813 PolarHBondContact O-N 3.18Å; V813-N815 PolarHBondContact O-N 2.96Å
814	N	41.7	Very low	48.3	Very low	148 Å²	148	119.1 Å²	119.1	79%	0.791	68%	0.675	S	S	*	*			trans	-88.4	58.9	160.7	-95.6	-18.7	0	0	0	110.4
815	N	41.7	Very low	46.7	Very low	147 Å²	147	123.4 Å²	123.4	79%	0.786	70%	0.695	S	S	*	*	S	Bend	trans	-161.4	124.3	161.9	-97.4	-38.7	0	0	0	108.7	V813 Q817	V813-N815 PolarHBondContact O-N 2.96Å; N815-Q817 PolarHBondContact O-N 3.12Å
816	G	38.3	Very low	45.6	Very low	71 Å²	71	120.3 Å²	120.3	73%	0.732	69%	0.689	S	S	*	*			trans	-72.2	122.8	-165	0	0	0	0	0	114.4
817	Q	43.6	Very low	45.2	Very low	175 Å²	175	122.3 Å²	122.3	82%	0.818	71%	0.708	S	S	*	*			trans	-162.6	134.3	148.9	-109	147.6	75.2	0	0	112	N815	N815-Q817 PolarHBondContact O-N 3.12Å
818	T	38.8	Very low	44.8	Very low	131 Å²	131	122.8 Å²	122.8	80%	0.804	71%	0.714	S	S	*	*			trans	53.8	81.8	163.2	59.7	0	0	0	0	118.2	D820	T818-D820 VanDerWaalsContact C-N 3.35Å; T818-D820 PolarHBondContact O-N 3.13Å
819	A	36.4	Very low	44.4	Very low	103 Å²	103	122.9 Å²	122.9	85%	0.851	71%	0.712	S	S	*	*			trans	-81.1	78.1	158	0	0	0	0	0	110.5
820	D	42.1	Very low	44.3	Very low	146 Å²	146	124.8 Å²	124.8	78%	0.781	72%	0.721	S	S	*	*			trans	-166	82.4	172.4	-99.8	-32.4	0	0	0	110.5	T818	T818-D820 VanDerWaalsContact C-N 3.35Å; T818-D820 PolarHBondContact O-N 3.13Å
821	K	41.5	Very low	44.7	Very low	206 Å²	206	125.6 Å²	125.6	90%	0.896	73%	0.726	S	S	*	*			trans	170.1	52.4	163.6	-97.4	156.2	-172.5	175.2	0	114.3
822	L	37.6	Very low	45.2	Very low	150 Å²	150	126 Å²	126	79%	0.785	72%	0.715	S	S	*	*			trans	-135.6	61.3	172	-84.6	170.4	0	0	0	112.2	P824	L822-P824 VanDerWaalsContact O-CD 3.31Å; L822-P824 WeakPolarHBondContact O-CD 3.05Å
823	T	35.2	Very low	46.3	Very low	130 Å²	130	126.6 Å²	126.6	80%	0.798	72%	0.715	S	S	*	*			trans	-93.9	103	162.8	49.2	0	0	0	0	109.3	N825	T823-N825 PolarHBondContact O-N 3.42Å
824	P	42	Very low	47.8	Very low	109 Å²	109	127.7 Å²	127.7	71%	0.708	71%	0.714	S	S	*	*			trans	-74	124.4	175.5	29.3	-32.1	0	0	0	109.9	L822 S826	L822-P824 VanDerWaalsContact O-CD 3.31Å; L822-P824 WeakPolarHBondContact O-CD 3.05Å; P824-S826 PolarHBondContact O-N 3.24Å
825	N	35.5	Very low	49.8	Very low	166 Å²	166	123.8 Å²	123.8	89%	0.888	70%	0.698	S	S	*	*			trans	-62.7	97.5	171.8	-73	-24.2	0	0	0	109.7	T823	T823-N825 PolarHBondContact O-N 3.42Å
826	S	45.2	Very low	51.9	Low	53 Å²	53	119 Å²	119	37%	0.371	67%	0.672	S	S	.	*			trans	-118.7	50.1	-167.2	-145.2	0	0	0	0	113	P824 C828 L829	P824-S826 PolarHBondContact O-N 3.24Å; S826-C828 PolarHBondContact O-N 3.38Å; S826-L829 PolarHBondContact O-N 3.24Å; S826-L829 VanDerWaalsContact OG-CB 3.27Å; S826-L829 WeakPolarHBondContact OG-CB 3.36Å
827	S	49.8	Very low	54.2	Low	113 Å²	113	116.1 Å²	116.1	79%	0.79	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-3.7	177.4	53.3	0	0	0	0	114.6
828	C	49.6	Very low	56.3	Low	107 Å²	107	114 Å²	114	72%	0.723	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	-5.2	179.3	-159.8	0	0	0	0	113.1	S826	S826-C828 PolarHBondContact O-N 3.38Å
829	L	50.6	Low	58.6	Low	73 Å²	73	111.2 Å²	111.2	38%	0.382	61%	0.606	S	S	.	*	S	Bend	trans	-94.1	0.3	-173.9	-158.6	73.3	0	0	0	113.3	I795 M799 S826	I795-L829 HydrophobicContact CG2-CD1 4.2Å; M799-L829 HydrophobicContact SD-CD1 3.9Å; S826-L829 PolarHBondContact O-N 3.24Å; S826-L829 VanDerWaalsContact OG-CB 3.27Å; S826-L829 WeakPolarHBondContact OG-CB 3.36Å
830	I	52.7	Low	61.3	Low	137 Å²	137	106.3 Å²	106.3	70%	0.703	57%	0.566	S	S	*	*	S	Bend	trans	-84.2	-21.2	-160.9	-62.5	175.3	0	0	0	113.5
831	D	60.1	Low	63.6	Low	149 Å²	149	100.9 Å²	100.9	80%	0.797	54%	0.539	S	S	*	.	S	Bend	trans	-87.5	-19	-172.2	-76.1	-17.8	0	0	0	115.8
832	Y	63.1	Low	65.9	Low	94 Å²	94	97.1 Å²	97.1	37%	0.369	52%	0.524	S	S	.	.	S	Bend	trans	-112.3	128.2	-176.3	-67.3	-83.4	0	0	0	112	I792 E834 W884	I792-Y832 HydrophobicContact CD1-CD1 4.26Å; I792-Y832 HydrophobicContact CD1-CE1 3.7Å; I792-Y832 HydrophobicContact CD1-CE2 4.42Å; I792-Y832 HydrophobicContact CG1-CE2 4.41Å; Y832-E834 PolarHBondContact O-N 2.89Å; Y832-W884 HydrophobicContact CE1-CH2 4.32Å; Y832-W884 HydrophobicContact CE1-CZ2 4.46Å
833	K	77.7	Confident	68.4	Low	156 Å²	156	90.1 Å²	90.1	68%	0.678	49%	0.488	S	S	*	.			trans	-58.5	132.6	171.2	-64.9	178.8	-179.5	174.5	0	109.5	S835 I836 L837	K833-S835 PolarHBondContact O-N 3.17Å; K833-I836 HydrophobicContact CB-CD1 4.07Å; K833-I836 HydrophobicContact CB-CG1 4.22Å; K833-I836 HydrophobicContact CD-CD1 4.47Å; K833-I836 HydrophobicContact CG-CD1 4.49Å; K833-I836 WeakPolarHBondContact O-CB 3.43Å; K833-I836 PolarHBondContact O-N 3.06Å; K833-L837 PolarHBondContact O-N 3.06Å
834	E	80.3	Confident	71.2	Confident	118 Å²	118	84.8 Å²	84.8	55%	0.551	46%	0.455	S	S	*	.	H	α-helix	trans	-54.8	-30.4	179.7	-165.4	-170.7	143.9	0	0	112.9	Y832 L837 K838	Y832-E834 PolarHBondContact O-N 2.89Å; E834-L837 PolarHBondContact O-N 2.86Å; E834-K838 HydrophobicContact CG-CD 4.43Å; E834-K838 WeakPolarHBondContact O-CG 3.46Å; E834-K838 PolarHBondContact O-N 3.1Å; E834-K838 VanDerWaalsContact OE1-CE 3.26Å; E834-K838 WeakPolarHBondContact OE1-CE 3.49Å; E834-K838 IonicContact OE1-NZ 3.19Å; E834-K838 PolarHBondContact OE1-NZ 3.19Å
835	S	83.7	Confident	73.5	Confident	65 Å²	65	83.3 Å²	83.3	46%	0.455	44%	0.441	S	S	.	.	H	α-helix	trans	-59.8	-43.1	173.6	59.6	0	0	0	0	113.1	K833 K838 Q839	K833-S835 PolarHBondContact O-N 3.17Å; S835-K838 PolarHBondContact O-N 3.05Å; S835-Q839 WeakPolarHBondContact O-CB 3.43Å; S835-Q839 WeakPolarHBondContact O-CG 3.48Å; S835-Q839 PolarHBondContact O-N 3.16Å; S835-Q839 PolarHBondContact O-OE1 2.84Å
836	I	86.4	Confident	76.3	Confident	47 Å²	47	76.4 Å²	76.4	24%	0.241	41%	0.405	C	S	.	.	H	α-helix	trans	-66.2	-42.2	-179.6	-65.7	172.2	0	0	0	109.8	K833 K838 Q839 F840 W884 L887	K833-I836 HydrophobicContact CB-CD1 4.07Å; K833-I836 HydrophobicContact CB-CG1 4.22Å; K833-I836 HydrophobicContact CD-CD1 4.47Å; K833-I836 HydrophobicContact CG-CD1 4.49Å; K833-I836 WeakPolarHBondContact O-CB 3.43Å; K833-I836 PolarHBondContact O-N 3.06Å; I836-K838 VanDerWaalsContact C-N 3.35Å; I836-K838 PolarHBondContact O-N 2.79Å; I836-Q839 PolarHBondContact O-N 2.73Å; I836-F840 WeakPolarHBondContact O-CB 3.28Å; I836-F840 PolarHBondContact O-N 2.69Å; I836-W884 HydrophobicContact CG2-CH2 4.11Å; I836-W884 HydrophobicContact CG2-CZ3 4.17Å; I836-L887 HydrophobicContact CG2-CD2 3.75Å
837	L	86.6	Confident	78.6	Confident	10 Å²	10	73.9 Å²	73.9	5%	0.052	39%	0.388	C	S	.	.	H	α-helix	trans	-63.2	-40.9	176.7	-64	177.8	0	0	0	111.7	I792 I796 M799 K833 E834 S841	I792-L837 HydrophobicContact CG2-CD2 3.7Å; I796-L837 HydrophobicContact CG1-CD2 4.36Å; M799-L837 HydrophobicContact CE-CD1 4.43Å; M799-L837 HydrophobicContact SD-CD1 4.1Å; K833-L837 PolarHBondContact O-N 3.06Å; E834-L837 PolarHBondContact O-N 2.86Å; L837-S841 VanDerWaalsContact O-CB 3.24Å; L837-S841 WeakPolarHBondContact O-CB 3.2Å; L837-S841 PolarHBondContact O-N 3.04Å
838	K	86.4	Confident	80.7	Confident	130 Å²	130	74.3 Å²	74.3	57%	0.565	38%	0.375	S	S	*	.	H	α-helix	trans	-68	-43.7	176.2	-74.9	173.4	171.8	172.9	0	112.6	E834 S835 I836 S841 H842	E834-K838 HydrophobicContact CG-CD 4.43Å; E834-K838 WeakPolarHBondContact O-CG 3.46Å; E834-K838 PolarHBondContact O-N 3.1Å; E834-K838 VanDerWaalsContact OE1-CE 3.26Å; E834-K838 WeakPolarHBondContact OE1-CE 3.49Å; E834-K838 IonicContact OE1-NZ 3.19Å; E834-K838 PolarHBondContact OE1-NZ 3.19Å; S835-K838 PolarHBondContact O-N 3.05Å; I836-K838 VanDerWaalsContact C-N 3.35Å; I836-K838 PolarHBondContact O-N 2.79Å; K838-S841 PolarHBondContact O-N 2.86Å; K838-H842 PolarHBondContact O-N 2.82Å
839	Q	88.2	Confident	82.7	Confident	74 Å²	74	75.3 Å²	75.3	35%	0.346	37%	0.367	S	S	.	.	H	α-helix	trans	-59.6	-47.8	174.4	-75.9	170	-52	0	0	111.3	S835 I836 H842 A843 L887	S835-Q839 WeakPolarHBondContact O-CB 3.43Å; S835-Q839 WeakPolarHBondContact O-CG 3.48Å; S835-Q839 PolarHBondContact O-N 3.16Å; S835-Q839 PolarHBondContact O-OE1 2.84Å; I836-Q839 PolarHBondContact O-N 2.73Å; Q839-H842 PolarHBondContact O-N 3.22Å; Q839-A843 PolarHBondContact O-N 3.03Å; Q839-L887 HydrophobicContact CB-CD1 4.43Å
840	F	92	Very high	84.8	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-71.6	-32.3	-179.9	-168.6	-112.5	0	0	0	113.2	W789 I792 I796 I836 A843 L844 L880 W884 L887	W789-F840 HydrophobicContact CB-CE1 4.04Å; W789-F840 HydrophobicContact CB-CE2 4.37Å; W789-F840 HydrophobicContact CB-CZ 3.64Å; W789-F840 HydrophobicContact CD2-CZ 4.28Å; W789-F840 HydrophobicContact CE3-CZ 4.18Å; W789-F840 HydrophobicContact CG-CZ 4.11Å; I792-F840 HydrophobicContact CG2-CD1 3.91Å; I792-F840 HydrophobicContact CG2-CE1 4.44Å; I796-F840 HydrophobicContact CD1-CD1 3.85Å; I836-F840 WeakPolarHBondContact O-CB 3.28Å; I836-F840 PolarHBondContact O-N 2.69Å; F840-A843 HydrophobicContact CD2-CB 4.43Å; F840-A843 PolarHBondContact O-N 2.91Å; F840-L844 HydrophobicContact CD1-CD1 3.76Å; F840-L844 HydrophobicContact CD1-CG 4.15Å; F840-L844 HydrophobicContact CE1-CD1 3.67Å; F840-L844 HydrophobicContact CE1-CD2 4.12Å; F840-L844 HydrophobicContact CE1-CG 3.85Å; F840-L844 HydrophobicContact CZ-CD1 4.45Å; F840-L844 HydrophobicContact CZ-CD2 4.19Å; F840-L844 HydrophobicContact CZ-CG 4.14Å; F840-L844 WeakPolarHBondContact O-CB 3.45Å; F840-L844 VanDerWaalsContact O-CG 3.29Å; F840-L844 WeakPolarHBondContact O-CG 3.39Å; F840-L844 PolarHBondContact O-N 2.87Å; F840-L880 HydrophobicContact CE2-CD2 4.37Å; F840-L880 HydrophobicContact CZ-CD2 4.32Å; F840-W884 HydrophobicContact CB-CZ3 4.34Å; F840-W884 HydrophobicContact CD1-CE3 4.42Å; F840-W884 AromaticContact CD2-CE3 3.69Å; F840-W884 HydrophobicContact CD2-CE3 3.69Å; F840-W884 HydrophobicContact CD2-CZ3 4.28Å; F840-W884 HydrophobicContact CE2-CB 4.2Å; F840-W884 AromaticContact CE2-CE3 3.93Å; F840-W884 HydrophobicContact CE2-CE3 3.93Å; F840-W884 AromaticContact CG-CE3 3.97Å; F840-W884 HydrophobicContact CG-CE3 3.97Å; F840-W884 HydrophobicContact CG-CZ3 4.14Å; F840-W884 HydrophobicContact CZ-CE3 4.4Å; F840-L887 HydrophobicContact CB-CD1 4.36Å; F840-L887 HydrophobicContact CD2-CD1 4.23Å
841	S	90.5	Very high	86.7	Confident	31 Å²	31	66.2 Å²	66.2	22%	0.217	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-46	169.5	172.8	0	0	0	0	111.4	L837 K838 A843 L844 D845	L837-S841 VanDerWaalsContact O-CB 3.24Å; L837-S841 WeakPolarHBondContact O-CB 3.2Å; L837-S841 PolarHBondContact O-N 3.04Å; K838-S841 PolarHBondContact O-N 2.86Å; S841-A843 VanDerWaalsContact C-N 3.34Å; S841-A843 PolarHBondContact O-N 3.06Å; S841-L844 WeakPolarHBondContact O-CB 3.29Å; S841-L844 PolarHBondContact O-N 2.87Å; S841-D845 PolarHBondContact O-N 2.8Å; S841-D845 VanDerWaalsContact O-N 3.14Å
842	H	90.2	Very high	88.1	Confident	127 Å²	127	63.2 Å²	63.2	59%	0.588	31%	0.308	S	S	*	.	H	α-helix	trans	-63	-38.1	174.7	-177.5	-95.8	0	0	0	113.1	K838 Q839 S846	K838-H842 PolarHBondContact O-N 2.82Å; Q839-H842 PolarHBondContact O-N 3.22Å; H842-S846 WeakPolarHBondContact O-CB 3.43Å; H842-S846 PolarHBondContact O-N 2.83Å; H842-S846 PolarHBondContact O-OG 3.48Å
843	A	91.4	Very high	89.4	Confident	4 Å²	4	64.8 Å²	64.8	3%	0.033	31%	0.313	C	S	.	.	H	α-helix	trans	-64.2	-44	173.5	0	0	0	0	0	112.4	Q839 F840 S841 D845 S846 V847 V883	Q839-A843 PolarHBondContact O-N 3.03Å; F840-A843 HydrophobicContact CD2-CB 4.43Å; F840-A843 PolarHBondContact O-N 2.91Å; S841-A843 VanDerWaalsContact C-N 3.34Å; S841-A843 PolarHBondContact O-N 3.06Å; A843-D845 VanDerWaalsContact C-N 3.34Å; A843-D845 PolarHBondContact O-N 3.28Å; A843-S846 PolarHBondContact O-N 3.32Å; A843-V847 WeakPolarHBondContact O-CB 3.31Å; A843-V847 WeakPolarHBondContact O-CG2 3.32Å; A843-V847 PolarHBondContact O-N 2.87Å; A843-V883 HydrophobicContact CB-CG1 3.75Å
844	L	92.5	Very high	90.1	Very high	18 Å²	18	57.4 Å²	57.4	9%	0.094	28%	0.281	C	S	.	.	H	α-helix	trans	-55.7	-47	176.5	-79.5	163.6	0	0	0	112	K793 I796 F840 S841 K848 L880	K793-L844 HydrophobicContact CB-CD1 4.41Å; K793-L844 HydrophobicContact CD-CD2 3.63Å; K793-L844 HydrophobicContact CG-CD1 4.14Å; K793-L844 HydrophobicContact CG-CD2 4Å; I796-L844 HydrophobicContact CD1-CD1 3.96Å; F840-L844 HydrophobicContact CD1-CD1 3.76Å; F840-L844 HydrophobicContact CD1-CG 4.15Å; F840-L844 HydrophobicContact CE1-CD1 3.67Å; F840-L844 HydrophobicContact CE1-CD2 4.12Å; F840-L844 HydrophobicContact CE1-CG 3.85Å; F840-L844 HydrophobicContact CZ-CD1 4.45Å; F840-L844 HydrophobicContact CZ-CD2 4.19Å; F840-L844 HydrophobicContact CZ-CG 4.14Å; F840-L844 WeakPolarHBondContact O-CB 3.45Å; F840-L844 VanDerWaalsContact O-CG 3.29Å; F840-L844 WeakPolarHBondContact O-CG 3.39Å; F840-L844 PolarHBondContact O-N 2.87Å; S841-L844 WeakPolarHBondContact O-CB 3.29Å; S841-L844 PolarHBondContact O-N 2.87Å; L844-K848 VanDerWaalsContact O-CB 3.22Å; L844-K848 WeakPolarHBondContact O-CB 3.29Å; L844-K848 PolarHBondContact O-N 2.9Å; L844-K848 VanDerWaalsContact O-N 3.07Å; L844-L880 HydrophobicContact CD2-CD1 3.55Å; L844-L880 HydrophobicContact CD2-CD2 3.64Å; L844-L880 HydrophobicContact CD2-CG 4.25Å; L844-L880 HydrophobicContact CG-CD2 4.19Å
845	D	91.9	Very high	90.5	Very high	78 Å²	78	52.4 Å²	52.4	42%	0.417	26%	0.258	S	S	.	.	H	α-helix	trans	-68.8	-38.1	178.5	-96.8	-1	0	0	0	113	S841 A843 K849	S841-D845 PolarHBondContact O-N 2.8Å; S841-D845 VanDerWaalsContact O-N 3.14Å; A843-D845 VanDerWaalsContact C-N 3.34Å; A843-D845 PolarHBondContact O-N 3.28Å; D845-K849 WeakPolarHBondContact O-CD 3.4Å; D845-K849 VanDerWaalsContact O-CG 3.26Å; D845-K849 WeakPolarHBondContact O-CG 3.47Å; D845-K849 PolarHBondContact O-N 3.09Å; D845-K849 VanDerWaalsContact O-N 3.15Å
846	S	93	Very high	90.6	Very high	20 Å²	20	51.7 Å²	51.7	14%	0.14	25%	0.245	C	C	.	.	H	α-helix	trans	-68.5	-49.6	178.7	-60.3	0	0	0	0	111.6	H842 A843 K848 K849 D850	H842-S846 WeakPolarHBondContact O-CB 3.43Å; H842-S846 PolarHBondContact O-N 2.83Å; H842-S846 PolarHBondContact O-OG 3.48Å; A843-S846 PolarHBondContact O-N 3.32Å; S846-K848 VanDerWaalsContact C-N 3.3Å; S846-K848 PolarHBondContact O-N 3.06Å; S846-K849 PolarHBondContact O-N 2.88Å; S846-D850 PolarHBondContact O-N 2.9Å; S846-D850 VanDerWaalsContact O-N 3.12Å
847	V	94.3	Very high	90.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.7	-43.3	175.2	171.1	0	0	0	0	111	A843 K849 D850 V851 E876 L879 L880 Y891	A843-V847 WeakPolarHBondContact O-CB 3.31Å; A843-V847 WeakPolarHBondContact O-CG2 3.32Å; A843-V847 PolarHBondContact O-N 2.87Å; V847-K849 VanDerWaalsContact C-N 3.34Å; V847-K849 PolarHBondContact O-N 3.37Å; V847-D850 PolarHBondContact O-N 3.3Å; V847-V851 HydrophobicContact CG1-CG2 4.06Å; V847-V851 WeakPolarHBondContact O-CB 3.47Å; V847-V851 VanDerWaalsContact O-CG2 3.31Å; V847-V851 WeakPolarHBondContact O-CG2 3.48Å; V847-V851 PolarHBondContact O-N 3.49Å; V847-E876 HydrophobicContact CG1-CG 4.25Å; V847-L879 HydrophobicContact CG1-CB 3.8Å; V847-L879 HydrophobicContact CG1-CD1 3.94Å; V847-L879 HydrophobicContact CG2-CB 4.27Å; V847-L880 HydrophobicContact CB-CD2 4.06Å; V847-L880 HydrophobicContact CG1-CD2 4.19Å; V847-L880 HydrophobicContact CG1-CG 4.17Å; V847-L880 HydrophobicContact CG2-CD2 4.03Å; V847-Y891 HydrophobicContact CG2-CD1 4.03Å; V847-Y891 HydrophobicContact CG2-CD2 3.55Å; V847-Y891 HydrophobicContact CG2-CE1 4.13Å; V847-Y891 HydrophobicContact CG2-CE2 3.65Å; V847-Y891 HydrophobicContact CG2-CG 3.72Å
848	K	93	Very high	90.4	Very high	122 Å²	122	59.1 Å²	59.1	53%	0.53	29%	0.286	S	S	.	.	H	α-helix	trans	-61.8	-39.3	178.8	-175.8	-176.4	177	-168.2	0	112.6	L844 S846 V852	L844-K848 VanDerWaalsContact O-CB 3.22Å; L844-K848 WeakPolarHBondContact O-CB 3.29Å; L844-K848 PolarHBondContact O-N 2.9Å; L844-K848 VanDerWaalsContact O-N 3.07Å; S846-K848 VanDerWaalsContact C-N 3.3Å; S846-K848 PolarHBondContact O-N 3.06Å; K848-V852 VanDerWaalsContact O-CG2 3.28Å; K848-V852 WeakPolarHBondContact O-CG2 3.25Å; K848-V852 PolarHBondContact O-N 2.85Å
849	K	92.5	Very high	90.3	Very high	128 Å²	128	58 Å²	58	56%	0.557	29%	0.293	S	S	*	.	H	α-helix	trans	-63.4	-43.7	175.2	-71.2	159.6	-168	162.1	0	110.9	D845 S846 V847 V852 R853	D845-K849 WeakPolarHBondContact O-CD 3.4Å; D845-K849 VanDerWaalsContact O-CG 3.26Å; D845-K849 WeakPolarHBondContact O-CG 3.47Å; D845-K849 PolarHBondContact O-N 3.09Å; D845-K849 VanDerWaalsContact O-N 3.15Å; S846-K849 PolarHBondContact O-N 2.88Å; V847-K849 VanDerWaalsContact C-N 3.34Å; V847-K849 PolarHBondContact O-N 3.37Å; K849-V852 PolarHBondContact O-N 2.89Å; K849-R853 WeakPolarHBondContact O-CG 3.39Å; K849-R853 PolarHBondContact O-N 3.22Å
850	D	94.1	Very high	90.2	Very high	10 Å²	10	55.9 Å²	55.9	5%	0.053	29%	0.285	C	S	.	.	H	α-helix	trans	-68.1	-45	-178.5	-79.3	46.3	0	0	0	112.8	S846 V847 V852 R853 C854 Y891 C896	S846-D850 PolarHBondContact O-N 2.9Å; S846-D850 VanDerWaalsContact O-N 3.12Å; V847-D850 PolarHBondContact O-N 3.3Å; D850-V852 VanDerWaalsContact C-N 3.3Å; D850-V852 PolarHBondContact O-N 3.14Å; D850-R853 WeakPolarHBondContact O-CG 3.11Å; D850-R853 PolarHBondContact O-N 3.38Å; D850-R853 IonicContact OD1-CZ 2.75Å; D850-R853 IonicContact OD1-NE 2.93Å; D850-R853 PolarHBondContact OD1-NE 3.15Å; D850-R853 IonicContact OD1-NH2 3.29Å; D850-R853 PolarHBondContact OD1-NH2 3.21Å; D850-R853 IonicContact OD2-CZ 3.03Å; D850-R853 IonicContact OD2-NE 3.29Å; D850-R853 IonicContact OD2-NH2 3.23Å; D850-R853 PolarHBondContact OD2-NH2 2.83Å; D850-C854 PolarHBondContact O-N 3.36Å; D850-Y891 HydrophobicContact CB-CE1 4.38Å; D850-Y891 WeakPolarHBondContact CB-OH 3.49Å; D850-Y891 PolarHBondContact OD2-OH 2.91Å; D850-C896 HydrophobicContact CB-CB 3.92Å
851	V	93	Very high	90	Very high	9 Å²	9	55.9 Å²	55.9	6%	0.055	29%	0.285	C	S	.	.	H	α-helix	trans	-60.9	-37.5	176.6	170.9	0	0	0	0	111.8	V847 R853 C854 L872 I875 E876 L879	V847-V851 HydrophobicContact CG1-CG2 4.06Å; V847-V851 WeakPolarHBondContact O-CB 3.47Å; V847-V851 VanDerWaalsContact O-CG2 3.31Å; V847-V851 WeakPolarHBondContact O-CG2 3.48Å; V847-V851 PolarHBondContact O-N 3.49Å; V851-R853 VanDerWaalsContact C-N 3.33Å; V851-R853 PolarHBondContact O-N 2.82Å; V851-C854 WeakPolarHBondContact O-CB 3.34Å; V851-C854 PolarHBondContact O-N 2.85Å; V851-L872 HydrophobicContact CG1-CB 3.78Å; V851-L872 HydrophobicContact CG1-CD2 4.17Å; V851-L872 HydrophobicContact CG1-CG 4.47Å; V851-L872 WeakPolarHBondContact CG1-O 3.5Å; V851-I875 HydrophobicContact CG2-CB 4.49Å; V851-I875 HydrophobicContact CG2-CG2 4Å; V851-E876 HydrophobicContact CG1-CB 4.49Å; V851-E876 HydrophobicContact CG2-CB 4.25Å; V851-L879 HydrophobicContact CG2-CD1 4.14Å
852	V	90.1	Very high	89.7	Confident	87 Å²	87	55 Å²	55	53%	0.527	28%	0.279	S	S	.	.	H	α-helix	trans	-66.2	-34.6	179	169	0	0	0	0	112.5	K848 K849 D850 R856	K848-V852 VanDerWaalsContact O-CG2 3.28Å; K848-V852 WeakPolarHBondContact O-CG2 3.25Å; K848-V852 PolarHBondContact O-N 2.85Å; K849-V852 PolarHBondContact O-N 2.89Å; D850-V852 VanDerWaalsContact C-N 3.3Å; D850-V852 PolarHBondContact O-N 3.14Å; V852-R856 PolarHBondContact O-NE 2.82Å; V852-R856 VanDerWaalsContact O-NE 3.1Å
853	R	89.9	Confident	89	Confident	127 Å²	127	55.3 Å²	55.3	48%	0.479	28%	0.279	S	S	.	.	H	α-helix	trans	-88.1	-11	178.6	64.7	179	171.6	-175.8	-6.6	114.6	K849 D850 V851 D855 Q893	K849-R853 WeakPolarHBondContact O-CG 3.39Å; K849-R853 PolarHBondContact O-N 3.22Å; D850-R853 WeakPolarHBondContact O-CG 3.11Å; D850-R853 PolarHBondContact O-N 3.38Å; D850-R853 IonicContact OD1-CZ 2.75Å; D850-R853 IonicContact OD1-NE 2.93Å; D850-R853 PolarHBondContact OD1-NE 3.15Å; D850-R853 IonicContact OD1-NH2 3.29Å; D850-R853 PolarHBondContact OD1-NH2 3.21Å; D850-R853 IonicContact OD2-CZ 3.03Å; D850-R853 IonicContact OD2-NE 3.29Å; D850-R853 IonicContact OD2-NH2 3.23Å; D850-R853 PolarHBondContact OD2-NH2 2.83Å; V851-R853 VanDerWaalsContact C-N 3.33Å; V851-R853 PolarHBondContact O-N 2.82Å; R853-D855 PolarHBondContact O-N 3.43Å; R853-Q893 VanDerWaalsContact NH2-CG 3.35Å
854	C	91.8	Very high	88.1	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.007	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	117.6	-175.6	-174.2	0	0	0	0	112.9	D850 V851 R856 L872 C896 A900	D850-C854 PolarHBondContact O-N 3.36Å; V851-C854 WeakPolarHBondContact O-CB 3.34Å; V851-C854 PolarHBondContact O-N 2.85Å; C854-R856 WeakPolarHBondContact O-CD 3.28Å; C854-R856 WeakPolarHBondContact O-CG 3.29Å; C854-R856 PolarHBondContact O-N 2.83Å; C854-L872 HydrophobicContact CB-CD2 3.92Å; C854-C896 VanDerWaalsContact SG-SG 3.68Å; C854-A900 VanDerWaalsContact SG-CB 3.56Å
855	D	88.3	Confident	87.2	Confident	12 Å²	12	67.4 Å²	67.4	6%	0.064	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	33	43.9	164.9	-69.4	3.3	0	0	0	117.1	R853 N857 N858 Y861 R1014 Y1018	R853-D855 PolarHBondContact O-N 3.43Å; D855-N857 PolarHBondContact O-N 3.17Å; D855-N858 HydrophobicContact CB-CB 4.36Å; D855-N858 WeakPolarHBondContact O-CB 3.36Å; D855-N858 PolarHBondContact O-N 3.19Å; D855-Y861 HydrophobicContact CB-CD2 4.1Å; D855-R1014 IonicContact OD1-CZ 3.58Å; D855-R1014 IonicContact OD1-NH1 2.98Å; D855-R1014 PolarHBondContact OD1-NH1 3.27Å; D855-R1014 IonicContact OD1-NH2 3.22Å; D855-R1014 PolarHBondContact OD1-NH2 3.03Å; D855-Y1018 WeakPolarHBondContact CB-OH 3.49Å; D855-Y1018 VanDerWaalsContact OD2-CE1 3.31Å; D855-Y1018 WeakPolarHBondContact OD2-CE1 3.33Å; D855-Y1018 PolarHBondContact OD2-OH 3.34Å
856	R	86.9	Confident	86.1	Confident	50 Å²	50	68.5 Å²	68.5	19%	0.189	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-11.2	-175.8	-65.1	-60	-153.1	153.5	-0.5	114.9	V852 C854 Y861 K863 D869 L872	V852-R856 PolarHBondContact O-NE 2.82Å; V852-R856 VanDerWaalsContact O-NE 3.1Å; C854-R856 WeakPolarHBondContact O-CD 3.28Å; C854-R856 WeakPolarHBondContact O-CG 3.29Å; C854-R856 PolarHBondContact O-N 2.83Å; R856-Y861 WeakPolarHBondContact CD-O 3.09Å; R856-Y861 PolarHBondContact NH1-O 2.94Å; R856-K863 HydrophobicContact CG-CG 4.46Å; R856-D869 IonicContact CZ-OD1 2.92Å; R856-D869 IonicContact NH1-OD1 2.65Å; R856-D869 PolarHBondContact NH1-OD1 3.44Å; R856-D869 IonicContact NH2-OD1 3.67Å; R856-D869 PolarHBondContact NH2-OD1 3.45Å; R856-L872 VanDerWaalsContact NH2-CD1 3.26Å
857	N	84	Confident	85.6	Confident	173 Å²	173	72.9 Å²	72.9	93%	0.925	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-16.3	173.7	-61.3	2.1	0	0	0	112.3	D855	D855-N857 PolarHBondContact O-N 3.17Å
858	N	84.4	Confident	85.1	Confident	40 Å²	40	73 Å²	73	21%	0.214	37%	0.366	C	S	.	.	S	Bend	trans	-86	136.7	177.8	-171.7	-60.6	0	0	0	110.1	D855 V860 Y861 S862 Y1018	D855-N858 HydrophobicContact CB-CB 4.36Å; D855-N858 WeakPolarHBondContact O-CB 3.36Å; D855-N858 PolarHBondContact O-N 3.19Å; N858-V860 PolarHBondContact O-N 2.83Å; N858-V860 VanDerWaalsContact O-N 3.11Å; N858-V860 WeakPolarHBondContact OD1-CB 3.15Å; N858-V860 WeakPolarHBondContact OD1-CG2 3.5Å; N858-V860 PolarHBondContact OD1-N 3.47Å; N858-Y861 HydrophobicContact CB-CD2 4.48Å; N858-Y861 CarbonylContact O-C 3.4Å; N858-Y861 PolarHBondContact O-N 3.24Å; N858-S862 PolarHBondContact O-N 3.3Å; N858-Y1018 WeakPolarHBondContact ND2-CD2 3.33Å; N858-Y1018 VanDerWaalsContact ND2-CE2 3.34Å; N858-Y1018 WeakPolarHBondContact ND2-CE2 3.39Å
859	C	84	Confident	84.8	Confident	106 Å²	106	71.5 Å²	71.5	72%	0.716	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-56.8	-28.6	-178.9	58.8	0	0	0	0	113.7	Y861	C859-Y861 PolarHBondContact O-N 3.43Å
860	V	85.7	Confident	84.6	Confident	30 Å²	30	69.8 Å²	69.8	18%	0.182	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-66.2	-25.3	177.8	-177	0	0	0	0	112.7	N858 N871 A904 L907	N858-V860 PolarHBondContact O-N 2.83Å; N858-V860 VanDerWaalsContact O-N 3.11Å; N858-V860 WeakPolarHBondContact OD1-CB 3.15Å; N858-V860 WeakPolarHBondContact OD1-CG2 3.5Å; N858-V860 PolarHBondContact OD1-N 3.47Å; V860-N871 PolarHBondContact O-ND2 2.83Å; V860-A904 HydrophobicContact CG1-CB 4.32Å; V860-A904 HydrophobicContact CG2-CB 4.15Å; V860-L907 HydrophobicContact CG1-CD1 3.7Å
861	Y	89.6	Confident	84.5	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-124.5	13.9	-175.8	-53.4	-62.7	0	0	0	113.7	D855 R856 N858 C859 N871 L872 I875 A900 L903 Y1018	D855-Y861 HydrophobicContact CB-CD2 4.1Å; R856-Y861 WeakPolarHBondContact CD-O 3.09Å; R856-Y861 PolarHBondContact NH1-O 2.94Å; N858-Y861 HydrophobicContact CB-CD2 4.48Å; N858-Y861 CarbonylContact O-C 3.4Å; N858-Y861 PolarHBondContact O-N 3.24Å; C859-Y861 PolarHBondContact O-N 3.43Å; Y861-N871 HydrophobicContact CD1-CB 4.09Å; Y861-N871 HydrophobicContact CE1-CB 3.9Å; Y861-L872 HydrophobicContact CD1-CD2 3.6Å; Y861-L872 HydrophobicContact CD1-CG 3.94Å; Y861-L872 HydrophobicContact CE1-CD2 4.35Å; Y861-L872 HydrophobicContact CG-CD2 4.08Å; Y861-I875 HydrophobicContact CD1-CD1 4.3Å; Y861-I875 HydrophobicContact CE1-CD1 3.55Å; Y861-I875 HydrophobicContact CE1-CG1 4.33Å; Y861-A900 HydrophobicContact CE2-CB 3.81Å; Y861-A900 PolarHBondContact OH-O 2.81Å; Y861-L903 HydrophobicContact CE1-CD2 4.14Å; Y861-L903 WeakPolarHBondContact OH-CB 3.4Å; Y861-Y1018 HydrophobicContact CE2-CE2 4.19Å; Y861-Y1018 WeakPolarHBondContact CE2-OH 3.21Å
862	S	83.9	Confident	84.5	Confident	12 Å²	12	69.5 Å²	69.5	8%	0.084	35%	0.353	C	S	.	.			trans	-44.8	137.5	176.4	171	0	0	0	0	112	N858 F864 D865	N858-S862 PolarHBondContact O-N 3.3Å; S862-F864 VanDerWaalsContact C-N 3.25Å; S862-F864 PolarHBondContact OG-N 2.86Å; S862-F864 VanDerWaalsContact OG-N 3.12Å; S862-D865 WeakPolarHBondContact CB-OD2 3.3Å; S862-D865 PolarHBondContact OG-OD2 3.26Å
863	K	75.8	Confident	84.6	Confident	134 Å²	134	67.1 Å²	67.1	58%	0.583	34%	0.342	S	S	*	.	S	Bend	trans	-74.7	-16.4	172.9	-72.9	-179.7	179.5	175	0	113.2	R856	R856-K863 HydrophobicContact CG-CG 4.46Å
864	F	72.2	Confident	84.8	Confident	195 Å²	195	61.7 Å²	61.7	86%	0.855	32%	0.323	S	S	*	.	S	Bend	trans	-92.7	-15.3	-172.3	-55.7	-72.3	0	0	0	112.4	S862	S862-F864 VanDerWaalsContact C-N 3.25Å; S862-F864 PolarHBondContact OG-N 2.86Å; S862-F864 VanDerWaalsContact OG-N 3.12Å
865	D	73	Confident	85	Confident	81 Å²	81	61.7 Å²	61.7	43%	0.433	32%	0.323	S	S	.	.	S	Bend	trans	-111.5	133.2	-175	-57.1	-69.6	0	0	0	111.3	S862 H867 G868	S862-D865 WeakPolarHBondContact CB-OD2 3.3Å; S862-D865 PolarHBondContact OG-OD2 3.26Å; D865-H867 PolarHBondContact O-N 3.09Å; D865-H867 VanDerWaalsContact O-N 3.09Å; D865-G868 PolarHBondContact O-N 2.96Å
866	S	69.5	Low	85.4	Confident	102 Å²	102	63.6 Å²	63.6	71%	0.713	33%	0.332	S	S	*	.	H	α-helix	trans	-60.2	-23.7	178.8	62.1	0	0	0	0	113.4	G868	S866-G868 VanDerWaalsContact C-N 3.34Å
867	H	81.2	Confident	85.8	Confident	112 Å²	112	64.7 Å²	64.7	52%	0.519	34%	0.336	S	S	.	.	H	α-helix	trans	-66.4	-33.6	172.5	-59	-47.9	0	0	0	112.7	D865 R870 N871	D865-H867 PolarHBondContact O-N 3.09Å; D865-H867 VanDerWaalsContact O-N 3.09Å; H867-R870 PolarHBondContact O-N 2.74Å; H867-N871 WeakPolarHBondContact O-CB 3.43Å; H867-N871 PolarHBondContact O-N 2.97Å; H867-N871 PolarHBondContact O-ND2 2.84Å; H867-N871 PolarHBondContact O-OD1 3.25Å
868	G	83.6	Confident	86.4	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-63	-52.8	-177	0	0	0	0	0	112.5	D865 S866 R870 N871 L872	D865-G868 PolarHBondContact O-N 2.96Å; S866-G868 VanDerWaalsContact C-N 3.34Å; G868-R870 VanDerWaalsContact C-N 3.31Å; G868-R870 PolarHBondContact O-N 3.45Å; G868-N871 PolarHBondContact O-N 3.19Å; G868-L872 WeakPolarHBondContact O-CG 3.27Å; G868-L872 PolarHBondContact O-N 3.09Å
869	D	86.3	Confident	86.9	Confident	92 Å²	92	54.6 Å²	54.6	49%	0.492	28%	0.282	S	S	.	.	H	α-helix	trans	-66.6	-31.8	178.2	-74.8	-19.2	0	0	0	112.6	R856 A873	R856-D869 IonicContact CZ-OD1 2.92Å; R856-D869 IonicContact NH1-OD1 2.65Å; R856-D869 PolarHBondContact NH1-OD1 3.44Å; R856-D869 IonicContact NH2-OD1 3.67Å; R856-D869 PolarHBondContact NH2-OD1 3.45Å; D869-A873 WeakPolarHBondContact O-CB 3.27Å; D869-A873 PolarHBondContact O-N 3.02Å
870	R	89.8	Confident	87.5	Confident	92 Å²	92	49.5 Å²	49.5	35%	0.347	25%	0.247	S	C	.	.	H	α-helix	trans	-63.2	-46.2	170.8	-175.5	-159.6	67.8	172.8	1.1	111.3	H867 G868 A873 T874	H867-R870 PolarHBondContact O-N 2.74Å; G868-R870 VanDerWaalsContact C-N 3.31Å; G868-R870 PolarHBondContact O-N 3.45Å; R870-A873 PolarHBondContact O-N 3.4Å; R870-T874 PolarHBondContact O-N 2.81Å; R870-T874 VanDerWaalsContact O-N 3.09Å; R870-T874 PolarHBondContact O-OG1 3.05Å; R870-T874 VanDerWaalsContact O-OG1 3.05Å
871	N	91.9	Very high	88	Confident	8 Å²	8	48.1 Å²	48.1	4%	0.043	24%	0.239	C	C	.	.	H	α-helix	trans	-67.1	-38.2	180	-63.1	-14.3	0	0	0	110.9	V860 Y861 H867 G868 T874 I875 L903	V860-N871 PolarHBondContact O-ND2 2.83Å; Y861-N871 HydrophobicContact CD1-CB 4.09Å; Y861-N871 HydrophobicContact CE1-CB 3.9Å; H867-N871 WeakPolarHBondContact O-CB 3.43Å; H867-N871 PolarHBondContact O-N 2.97Å; H867-N871 PolarHBondContact O-ND2 2.84Å; H867-N871 PolarHBondContact O-OD1 3.25Å; G868-N871 PolarHBondContact O-N 3.19Å; N871-T874 WeakPolarHBondContact O-CA 3.45Å; N871-T874 VanDerWaalsContact O-CB 3.25Å; N871-T874 WeakPolarHBondContact O-CB 3.3Å; N871-T874 PolarHBondContact O-N 3.15Å; N871-T874 VanDerWaalsContact O-N 3.11Å; N871-I875 PolarHBondContact O-N 2.69Å; N871-L903 HydrophobicContact CB-CD2 4.3Å; N871-L903 WeakPolarHBondContact O-CD2 3.4Å
872	L	93	Very high	88.2	Confident	5 Å²	5	48.4 Å²	48.4	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-66.5	-39.5	173.5	-71.2	176.2	0	0	0	113	V851 C854 R856 Y861 G868 T874 I875 E876	V851-L872 HydrophobicContact CG1-CB 3.78Å; V851-L872 HydrophobicContact CG1-CD2 4.17Å; V851-L872 HydrophobicContact CG1-CG 4.47Å; V851-L872 WeakPolarHBondContact CG1-O 3.5Å; C854-L872 HydrophobicContact CB-CD2 3.92Å; R856-L872 VanDerWaalsContact NH2-CD1 3.26Å; Y861-L872 HydrophobicContact CD1-CD2 3.6Å; Y861-L872 HydrophobicContact CD1-CG 3.94Å; Y861-L872 HydrophobicContact CE1-CD2 4.35Å; Y861-L872 HydrophobicContact CG-CD2 4.08Å; G868-L872 WeakPolarHBondContact O-CG 3.27Å; G868-L872 PolarHBondContact O-N 3.09Å; L872-T874 PolarHBondContact O-N 3.17Å; L872-I875 HydrophobicContact CD2-CD1 4.34Å; L872-I875 PolarHBondContact O-N 2.89Å; L872-I875 VanDerWaalsContact O-N 3.15Å; L872-E876 PolarHBondContact O-N 3.09Å
873	A	92.8	Very high	88.7	Confident	37 Å²	37	47.9 Å²	47.9	31%	0.306	24%	0.236	S	C	.	.	H	α-helix	trans	-61.5	-29.3	170.8	0	0	0	0	0	112	D869 R870 R877	D869-A873 WeakPolarHBondContact O-CB 3.27Å; D869-A873 PolarHBondContact O-N 3.02Å; R870-A873 PolarHBondContact O-N 3.4Å; A873-R877 WeakPolarHBondContact O-CG 3.4Å; A873-R877 PolarHBondContact O-N 2.62Å; A873-R877 VanDerWaalsContact O-N 3.13Å; A873-R877 PolarHBondContact O-NH1 2.82Å
874	T	94.1	Very high	89.5	Confident	13 Å²	13	43 Å²	43	8%	0.08	21%	0.214	C	C	.	.	H	α-helix	trans	-70.7	-43.4	172.1	-55	0	0	0	0	111.5	R870 N871 L872 E876 R877 I878 L903 E942	R870-T874 PolarHBondContact O-N 2.81Å; R870-T874 VanDerWaalsContact O-N 3.09Å; R870-T874 PolarHBondContact O-OG1 3.05Å; R870-T874 VanDerWaalsContact O-OG1 3.05Å; N871-T874 WeakPolarHBondContact O-CA 3.45Å; N871-T874 VanDerWaalsContact O-CB 3.25Å; N871-T874 WeakPolarHBondContact O-CB 3.3Å; N871-T874 PolarHBondContact O-N 3.15Å; N871-T874 VanDerWaalsContact O-N 3.11Å; L872-T874 PolarHBondContact O-N 3.17Å; T874-E876 VanDerWaalsContact C-N 3.32Å; T874-E876 PolarHBondContact O-N 2.8Å; T874-R877 PolarHBondContact O-N 3.45Å; T874-R877 PolarHBondContact OG1-NH2 2.72Å; T874-I878 HydrophobicContact CG2-CD1 3.94Å; T874-I878 VanDerWaalsContact O-CG1 3.31Å; T874-I878 WeakPolarHBondContact O-CG1 3.35Å; T874-I878 PolarHBondContact O-N 3Å; T874-L903 HydrophobicContact CG2-CD1 4.26Å; T874-L903 HydrophobicContact CG2-CD2 4.31Å; T874-E942 HydrophobicContact CG2-CB 3.77Å; T874-E942 HydrophobicContact CG2-CG 3.71Å
875	I	95.6	Very high	90.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.8	-42.8	170.9	-61.5	-173.1	0	0	0	111	V851 Y861 N871 L872 R877 I878 L879 V899 A900 L903	V851-I875 HydrophobicContact CG2-CB 4.49Å; V851-I875 HydrophobicContact CG2-CG2 4Å; Y861-I875 HydrophobicContact CD1-CD1 4.3Å; Y861-I875 HydrophobicContact CE1-CD1 3.55Å; Y861-I875 HydrophobicContact CE1-CG1 4.33Å; N871-I875 PolarHBondContact O-N 2.69Å; L872-I875 HydrophobicContact CD2-CD1 4.34Å; L872-I875 PolarHBondContact O-N 2.89Å; L872-I875 VanDerWaalsContact O-N 3.15Å; I875-R877 VanDerWaalsContact C-N 3.34Å; I875-R877 PolarHBondContact O-N 2.98Å; I875-I878 PolarHBondContact O-N 2.72Å; I875-L879 HydrophobicContact CG2-CD1 3.69Å; I875-L879 HydrophobicContact CG2-CG 4.06Å; I875-L879 WeakPolarHBondContact O-CB 3.21Å; I875-L879 WeakPolarHBondContact O-CG 3.5Å; I875-L879 PolarHBondContact O-N 3.17Å; I875-V899 HydrophobicContact CB-CG1 4.44Å; I875-V899 HydrophobicContact CG1-CG1 4.1Å; I875-V899 HydrophobicContact CG2-CB 4.3Å; I875-V899 HydrophobicContact CG2-CG1 4.02Å; I875-A900 HydrophobicContact CD1-CB 3.9Å; I875-L903 HydrophobicContact CD1-CD2 4.24Å; I875-L903 HydrophobicContact CG1-CD2 3.6Å
876	E	96	Very high	91.2	Very high	53 Å²	53	33.7 Å²	33.7	25%	0.248	17%	0.17	C	C	.	.	H	α-helix	trans	-57.6	-45.1	176	-166	-166	150.1	0	0	111.3	K793 V847 V851 L872 T874 L880	K793-E876 IonicContact NZ-OE1 2.74Å; K793-E876 PolarHBondContact NZ-OE1 3.27Å; V847-E876 HydrophobicContact CG1-CG 4.25Å; V851-E876 HydrophobicContact CG1-CB 4.49Å; V851-E876 HydrophobicContact CG2-CB 4.25Å; L872-E876 PolarHBondContact O-N 3.09Å; T874-E876 VanDerWaalsContact C-N 3.32Å; T874-E876 PolarHBondContact O-N 2.8Å; E876-L880 HydrophobicContact CG-CD1 3.84Å; E876-L880 HydrophobicContact CG-CG 4.42Å; E876-L880 VanDerWaalsContact O-CB 3.31Å; E876-L880 WeakPolarHBondContact O-CB 3.4Å; E876-L880 WeakPolarHBondContact O-CG 3.49Å; E876-L880 PolarHBondContact O-N 2.93Å
877	R	95.8	Very high	92.1	Very high	73 Å²	73	29.9 Å²	29.9	28%	0.275	14%	0.141	S	C	.	.	H	α-helix	trans	-65	-44.3	177.5	-71.6	-172	-56.5	-78.8	9.6	112.5	L786 W789 A873 T874 I875 T881 E942	L786-R877 HydrophobicContact CD1-CG 4.47Å; W789-R877 HydrophobicContact CH2-CG 4.36Å; W789-R877 HydrophobicContact CZ2-CB 4.39Å; W789-R877 HydrophobicContact CZ2-CG 4.37Å; A873-R877 WeakPolarHBondContact O-CG 3.4Å; A873-R877 PolarHBondContact O-N 2.62Å; A873-R877 VanDerWaalsContact O-N 3.13Å; A873-R877 PolarHBondContact O-NH1 2.82Å; T874-R877 PolarHBondContact O-N 3.45Å; T874-R877 PolarHBondContact OG1-NH2 2.72Å; I875-R877 VanDerWaalsContact C-N 3.34Å; I875-R877 PolarHBondContact O-N 2.98Å; R877-T881 WeakPolarHBondContact O-CB 3.35Å; R877-T881 PolarHBondContact O-N 2.75Å; R877-T881 PolarHBondContact O-OG1 3.05Å; R877-E942 WeakPolarHBondContact CB-OE1 3.45Å; R877-E942 WeakPolarHBondContact CD-OE1 3.28Å; R877-E942 IonicContact CZ-OE1 3.28Å; R877-E942 IonicContact CZ-OE2 3.38Å; R877-E942 VanDerWaalsContact NE-CD 3.28Å; R877-E942 IonicContact NE-OE1 3.79Å; R877-E942 PolarHBondContact NE-OE1 3.34Å; R877-E942 IonicContact NE-OE2 3.78Å; R877-E942 PolarHBondContact NE-OE2 2.95Å; R877-E942 IonicContact NH2-OE1 2.74Å; R877-E942 IonicContact NH2-OE2 2.69Å; R877-E942 PolarHBondContact NH2-OE2 3.45Å
878	I	96.4	Very high	92.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.1	-50.6	179.4	-68.4	166	0	0	0	110.6	T874 I875 T881 Y882 V899 E942 T945 Y946 F949	T874-I878 HydrophobicContact CG2-CD1 3.94Å; T874-I878 VanDerWaalsContact O-CG1 3.31Å; T874-I878 WeakPolarHBondContact O-CG1 3.35Å; T874-I878 PolarHBondContact O-N 3Å; I875-I878 PolarHBondContact O-N 2.72Å; I878-T881 PolarHBondContact O-N 3.29Å; I878-Y882 PolarHBondContact O-N 3.42Å; I878-V899 HydrophobicContact CB-CG1 4.48Å; I878-V899 HydrophobicContact CD1-CG1 4.4Å; I878-V899 HydrophobicContact CG2-CG1 4.04Å; I878-V899 HydrophobicContact CG2-CG2 4.31Å; I878-E942 HydrophobicContact CD1-CG 4.27Å; I878-E942 HydrophobicContact CG1-CG 4Å; I878-T945 HydrophobicContact CD1-CG2 3.65Å; I878-Y946 HydrophobicContact CG2-CD2 4.43Å; I878-F949 HydrophobicContact CG2-CD1 4.19Å
879	L	95.7	Very high	92.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63	-45.4	179.8	-73.3	176.8	0	0	0	112	V847 V851 I875 T881 Y882 V883 Y891 M895 C896 V899 F949	V847-L879 HydrophobicContact CG1-CB 3.8Å; V847-L879 HydrophobicContact CG1-CD1 3.94Å; V847-L879 HydrophobicContact CG2-CB 4.27Å; V851-L879 HydrophobicContact CG2-CD1 4.14Å; I875-L879 HydrophobicContact CG2-CD1 3.69Å; I875-L879 HydrophobicContact CG2-CG 4.06Å; I875-L879 WeakPolarHBondContact O-CB 3.21Å; I875-L879 WeakPolarHBondContact O-CG 3.5Å; I875-L879 PolarHBondContact O-N 3.17Å; L879-T881 VanDerWaalsContact C-N 3.31Å; L879-T881 PolarHBondContact O-N 3.29Å; L879-Y882 PolarHBondContact O-N 2.81Å; L879-V883 WeakPolarHBondContact O-CB 3.4Å; L879-V883 VanDerWaalsContact O-CG2 3.25Å; L879-V883 WeakPolarHBondContact O-CG2 3.3Å; L879-V883 PolarHBondContact O-N 3.24Å; L879-Y891 HydrophobicContact CD1-CE2 4.26Å; L879-Y891 HydrophobicContact CD2-CE2 4.22Å; L879-M895 HydrophobicContact CD2-CB 4.11Å; L879-C896 HydrophobicContact CD1-CB 3.93Å; L879-V899 HydrophobicContact CD2-CG2 3.59Å; L879-V899 HydrophobicContact CG-CG2 4.2Å; L879-F949 HydrophobicContact CD2-CE1 4.13Å; L879-F949 HydrophobicContact CD2-CZ 4.07Å
880	L	95.6	Very high	92.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.7	-33.2	178.5	-69	175.1	0	0	0	112.6	W789 F840 L844 V847 E876 W884	W789-L880 HydrophobicContact CD2-CB 4.12Å; W789-L880 HydrophobicContact CE3-CB 4.29Å; W789-L880 HydrophobicContact CE3-CD1 4.25Å; W789-L880 HydrophobicContact CH2-CB 3.99Å; W789-L880 HydrophobicContact CH2-CD1 3.69Å; W789-L880 HydrophobicContact CZ2-CB 3.74Å; W789-L880 HydrophobicContact CZ2-CD1 4.31Å; W789-L880 HydrophobicContact CZ3-CB 4.26Å; W789-L880 HydrophobicContact CZ3-CD1 3.67Å; F840-L880 HydrophobicContact CE2-CD2 4.37Å; F840-L880 HydrophobicContact CZ-CD2 4.32Å; L844-L880 HydrophobicContact CD2-CD1 3.55Å; L844-L880 HydrophobicContact CD2-CD2 3.64Å; L844-L880 HydrophobicContact CD2-CG 4.25Å; L844-L880 HydrophobicContact CG-CD2 4.19Å; V847-L880 HydrophobicContact CB-CD2 4.06Å; V847-L880 HydrophobicContact CG1-CD2 4.19Å; V847-L880 HydrophobicContact CG1-CG 4.17Å; V847-L880 HydrophobicContact CG2-CD2 4.03Å; E876-L880 HydrophobicContact CG-CD1 3.84Å; E876-L880 HydrophobicContact CG-CG 4.42Å; E876-L880 VanDerWaalsContact O-CB 3.31Å; E876-L880 WeakPolarHBondContact O-CB 3.4Å; E876-L880 WeakPolarHBondContact O-CG 3.49Å; E876-L880 PolarHBondContact O-N 2.93Å; L880-W884 VanDerWaalsContact O-CB 3.22Å; L880-W884 WeakPolarHBondContact O-CB 3.32Å; L880-W884 PolarHBondContact O-N 3.26Å
881	T	95.8	Very high	92.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-69.1	-41.2	175.6	-51.7	0	0	0	0	111.5	Y782 K785 W789 R877 I878 L879 E885 Y946	Y782-T881 HydrophobicContact CD2-CG2 3.65Å; Y782-T881 HydrophobicContact CE2-CG2 3.62Å; K785-T881 HydrophobicContact CB-CG2 3.65Å; W789-T881 PolarHBondContact NE1-OG1 2.72Å; R877-T881 WeakPolarHBondContact O-CB 3.35Å; R877-T881 PolarHBondContact O-N 2.75Å; R877-T881 PolarHBondContact O-OG1 3.05Å; I878-T881 PolarHBondContact O-N 3.29Å; L879-T881 VanDerWaalsContact C-N 3.31Å; L879-T881 PolarHBondContact O-N 3.29Å; T881-E885 PolarHBondContact O-N 2.89Å; T881-Y946 HydrophobicContact CG2-CE2 4.19Å
882	Y	94.8	Very high	91.9	Very high	7 Å²	7	31.2 Å²	31.2	3%	0.027	16%	0.156	C	C	.	.	H	α-helix	trans	-64.5	-50.2	173	-177.5	-82	0	0	0	111.7	I878 L879 W884 E885 Y886 M895 F949 K950 M953	I878-Y882 PolarHBondContact O-N 3.42Å; L879-Y882 PolarHBondContact O-N 2.81Å; Y882-W884 PolarHBondContact O-N 3.49Å; Y882-E885 WeakPolarHBondContact O-CB 3.1Å; Y882-E885 PolarHBondContact O-N 3.34Å; Y882-Y886 AromaticContact CD1-CD2 3.97Å; Y882-Y886 HydrophobicContact CD1-CD2 3.97Å; Y882-Y886 AromaticContact CD2-CD2 3.86Å; Y882-Y886 HydrophobicContact CD2-CD2 3.86Å; Y882-Y886 AromaticContact CD2-CE2 3.88Å; Y882-Y886 HydrophobicContact CD2-CE2 3.88Å; Y882-Y886 AromaticContact CE1-CD2 3.65Å; Y882-Y886 HydrophobicContact CE1-CD2 3.65Å; Y882-Y886 HydrophobicContact CE1-CE2 4.47Å; Y882-Y886 HydrophobicContact CE1-CG 4.12Å; Y882-Y886 AromaticContact CE2-CD2 3.56Å; Y882-Y886 HydrophobicContact CE2-CD2 3.56Å; Y882-Y886 AromaticContact CE2-CE2 3.54Å; Y882-Y886 HydrophobicContact CE2-CE2 3.54Å; Y882-Y886 HydrophobicContact CG-CD2 4.05Å; Y882-Y886 HydrophobicContact CG-CE2 4.48Å; Y882-Y886 AromaticContact CZ-CD2 3.43Å; Y882-Y886 VanDerWaalsContact CZ-CD2 3.43Å; Y882-Y886 AromaticContact CZ-CE2 3.85Å; Y882-Y886 WeakPolarHBondContact O-CD2 3.42Å; Y882-Y886 PolarHBondContact O-N 3.4Å; Y882-M895 HydrophobicContact CD1-CE 3.47Å; Y882-M895 VanDerWaalsContact CD1-CE 3.47Å; Y882-M895 HydrophobicContact CE1-CE 3.43Å; Y882-M895 VanDerWaalsContact CE1-CE 3.43Å; Y882-F949 HydrophobicContact CD1-CE1 4.09Å; Y882-F949 HydrophobicContact CD2-CD1 4.02Å; Y882-F949 AromaticContact CD2-CE1 3.78Å; Y882-F949 HydrophobicContact CD2-CE1 3.78Å; Y882-F949 HydrophobicContact CE2-CE1 4.38Å; Y882-F949 HydrophobicContact CG-CD1 4.22Å; Y882-F949 AromaticContact CG-CE1 3.62Å; Y882-F949 HydrophobicContact CG-CE1 3.62Å; Y882-K950 HydrophobicContact CD2-CB 4.47Å; Y882-M953 HydrophobicContact CE2-CB 3.83Å; Y882-M953 HydrophobicContact CE2-CG 4.14Å; Y882-M953 WeakPolarHBondContact OH-CB 3.35Å
883	V	93.3	Very high	91.7	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-65.2	-28.8	-178.9	176.6	0	0	0	0	112.2	A843 L879 E885 Y886 L887 Y891	A843-V883 HydrophobicContact CB-CG1 3.75Å; L879-V883 WeakPolarHBondContact O-CB 3.4Å; L879-V883 VanDerWaalsContact O-CG2 3.25Å; L879-V883 WeakPolarHBondContact O-CG2 3.3Å; L879-V883 PolarHBondContact O-N 3.24Å; V883-E885 VanDerWaalsContact C-N 3.34Å; V883-Y886 CarbonylContact O-C 3.55Å; V883-L887 HydrophobicContact CG1-CD1 4.48Å; V883-L887 WeakPolarHBondContact O-CA 3.32Å; V883-L887 PolarHBondContact O-N 2.9Å; V883-L887 VanDerWaalsContact O-N 3.11Å; V883-Y891 HydrophobicContact CG2-CD2 3.65Å; V883-Y891 HydrophobicContact CG2-CG 4.21Å
884	W	93.8	Very high	91.6	Very high	31 Å²	31	35.1 Å²	35.1	12%	0.117	17%	0.168	C	C	.	.	H	α-helix	trans	-67.6	-34.8	171.6	-177.6	-111.5	0	0	0	112.8	E788 W789 I792 Y832 I836 F840 L880 Y882 L887	E788-W884 PolarHBondContact OE2-NE1 3.4Å; W789-W884 HydrophobicContact CB-CB 3.95Å; W789-W884 HydrophobicContact CB-CD2 3.85Å; W789-W884 HydrophobicContact CB-CE3 4.3Å; W789-W884 HydrophobicContact CB-CG 3.63Å; W789-W884 HydrophobicContact CG-CB 4.26Å; W789-W884 HydrophobicContact CG-CG 4.35Å; I792-W884 HydrophobicContact CD1-CE3 4.46Å; I792-W884 HydrophobicContact CD1-CH2 3.11Å; I792-W884 HydrophobicContact CD1-CZ2 3.31Å; I792-W884 HydrophobicContact CD1-CZ3 3.73Å; Y832-W884 HydrophobicContact CE1-CH2 4.32Å; Y832-W884 HydrophobicContact CE1-CZ2 4.46Å; I836-W884 HydrophobicContact CG2-CH2 4.11Å; I836-W884 HydrophobicContact CG2-CZ3 4.17Å; F840-W884 HydrophobicContact CB-CZ3 4.34Å; F840-W884 HydrophobicContact CD1-CE3 4.42Å; F840-W884 AromaticContact CD2-CE3 3.69Å; F840-W884 HydrophobicContact CD2-CE3 3.69Å; F840-W884 HydrophobicContact CD2-CZ3 4.28Å; F840-W884 HydrophobicContact CE2-CB 4.2Å; F840-W884 AromaticContact CE2-CE3 3.93Å; F840-W884 HydrophobicContact CE2-CE3 3.93Å; F840-W884 AromaticContact CG-CE3 3.97Å; F840-W884 HydrophobicContact CG-CE3 3.97Å; F840-W884 HydrophobicContact CG-CZ3 4.14Å; F840-W884 HydrophobicContact CZ-CE3 4.4Å; L880-W884 VanDerWaalsContact O-CB 3.22Å; L880-W884 WeakPolarHBondContact O-CB 3.32Å; L880-W884 PolarHBondContact O-N 3.26Å; Y882-W884 PolarHBondContact O-N 3.49Å; W884-L887 HydrophobicContact CZ3-CD2 4.26Å
885	E	91.7	Very high	91.6	Very high	52 Å²	52	34.7 Å²	34.7	24%	0.243	17%	0.165	C	C	.	.	H	α-helix	trans	-75	-36.5	176.8	-175.4	171.5	-150.2	0	0	112.6	H781 T881 Y882 V883 Y946 K950	H781-E885 IonicContact CD2-OE1 3.27Å; H781-E885 IonicContact CE1-OE1 3.92Å; H781-E885 PolarHBondContact CE1-OE1 3.37Å; H781-E885 IonicContact NE2-OE1 3.81Å; H781-E885 PolarHBondContact NE2-OE1 3.02Å; H781-E885 IonicContact NE2-OE2 3.75Å; T881-E885 PolarHBondContact O-N 2.89Å; Y882-E885 WeakPolarHBondContact O-CB 3.1Å; Y882-E885 PolarHBondContact O-N 3.34Å; V883-E885 VanDerWaalsContact C-N 3.34Å; E885-Y946 PolarHBondContact OE2-OH 3.23Å; E885-K950 IonicContact OE1-NZ 3.86Å; E885-K950 PolarHBondContact OE1-NZ 2.89Å; E885-K950 IonicContact OE2-NZ 2.86Å; E885-K950 PolarHBondContact OE2-NZ 3.11Å
886	Y	89.6	Confident	91.5	Very high	28 Å²	28	34.8 Å²	34.8	11%	0.11	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	47	-179.2	-57.3	-84.5	0	0	0	112	Y882 V883 D888 D889 K950 E954	Y882-Y886 AromaticContact CD1-CD2 3.97Å; Y882-Y886 HydrophobicContact CD1-CD2 3.97Å; Y882-Y886 AromaticContact CD2-CD2 3.86Å; Y882-Y886 HydrophobicContact CD2-CD2 3.86Å; Y882-Y886 AromaticContact CD2-CE2 3.88Å; Y882-Y886 HydrophobicContact CD2-CE2 3.88Å; Y882-Y886 AromaticContact CE1-CD2 3.65Å; Y882-Y886 HydrophobicContact CE1-CD2 3.65Å; Y882-Y886 HydrophobicContact CE1-CE2 4.47Å; Y882-Y886 HydrophobicContact CE1-CG 4.12Å; Y882-Y886 AromaticContact CE2-CD2 3.56Å; Y882-Y886 HydrophobicContact CE2-CD2 3.56Å; Y882-Y886 AromaticContact CE2-CE2 3.54Å; Y882-Y886 HydrophobicContact CE2-CE2 3.54Å; Y882-Y886 HydrophobicContact CG-CD2 4.05Å; Y882-Y886 HydrophobicContact CG-CE2 4.48Å; Y882-Y886 AromaticContact CZ-CD2 3.43Å; Y882-Y886 VanDerWaalsContact CZ-CD2 3.43Å; Y882-Y886 AromaticContact CZ-CE2 3.85Å; Y882-Y886 WeakPolarHBondContact O-CD2 3.42Å; Y882-Y886 PolarHBondContact O-N 3.4Å; V883-Y886 CarbonylContact O-C 3.55Å; Y886-D888 PolarHBondContact O-N 3.4Å; Y886-D889 PolarHBondContact O-N 2.86Å; Y886-K950 WeakPolarHBondContact OH-CE 3.36Å; Y886-K950 PolarHBondContact OH-NZ 3.41Å; Y886-E954 PolarHBondContact OH-OE1 3.07Å; Y886-E954 PolarHBondContact OH-OE2 3.07Å
887	L	86.8	Confident	91.5	Very high	22 Å²	22	33.2 Å²	33.2	12%	0.115	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-60.6	-29.8	-173.8	-169.5	66.4	0	0	0	113	I836 Q839 F840 V883 W884 D889 E890	I836-L887 HydrophobicContact CG2-CD2 3.75Å; Q839-L887 HydrophobicContact CB-CD1 4.43Å; F840-L887 HydrophobicContact CB-CD1 4.36Å; F840-L887 HydrophobicContact CD2-CD1 4.23Å; V883-L887 HydrophobicContact CG1-CD1 4.48Å; V883-L887 WeakPolarHBondContact O-CA 3.32Å; V883-L887 PolarHBondContact O-N 2.9Å; V883-L887 VanDerWaalsContact O-N 3.11Å; W884-L887 HydrophobicContact CZ3-CD2 4.26Å; L887-D889 VanDerWaalsContact C-N 3.34Å; L887-E890 PolarHBondContact O-N 2.91Å
888	D	84.6	Confident	91.4	Very high	153 Å²	153	29.7 Å²	29.7	82%	0.818	15%	0.146	S	C	*	.	G	3₁₀ helix	trans	-67.8	-29.4	176.4	-62.7	-39.2	0	0	0	113.2	Y886 E890	Y886-D888 PolarHBondContact O-N 3.4Å; D888-E890 VanDerWaalsContact C-N 3.26Å; D888-E890 PolarHBondContact O-N 2.84Å
889	D	82.8	Confident	91.4	Very high	38 Å²	38	29.7 Å²	29.7	20%	0.203	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-77.2	-13.8	176.4	-71.6	-47.9	0	0	0	112	Y886 L887 K958	Y886-D889 PolarHBondContact O-N 2.86Å; L887-D889 VanDerWaalsContact C-N 3.34Å; D889-K958 IonicContact OD1-NZ 3.93Å; D889-K958 WeakPolarHBondContact OD2-CE 3.38Å; D889-K958 IonicContact OD2-NZ 3.67Å; D889-K958 PolarHBondContact OD2-NZ 2.95Å
890	E	83.7	Confident	91.4	Very high	77 Å²	77	29.7 Å²	29.7	36%	0.36	15%	0.146	S	C	.	.			trans	58.6	170.2	-171	-65.8	176.9	170.7	0	0	114.3	L887 D888 K963	L887-E890 PolarHBondContact O-N 2.91Å; D888-E890 VanDerWaalsContact C-N 3.26Å; D888-E890 PolarHBondContact O-N 2.84Å; E890-K963 VanDerWaalsContact CD-NZ 3.27Å; E890-K963 IonicContact OE1-NZ 2.89Å; E890-K963 PolarHBondContact OE1-NZ 3.12Å; E890-K963 VanDerWaalsContact OE1-NZ 3.13Å; E890-K963 IonicContact OE2-NZ 2.69Å; E890-K963 PolarHBondContact OE2-NZ 3.04Å
891	Y	90.2	Very high	91.3	Very high	25 Å²	25	29.7 Å²	29.7	10%	0.098	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-86.1	117.8	169.8	177.5	-102.9	0	0	0	110.3	V847 D850 L879 V883 M895	V847-Y891 HydrophobicContact CG2-CD1 4.03Å; V847-Y891 HydrophobicContact CG2-CD2 3.55Å; V847-Y891 HydrophobicContact CG2-CE1 4.13Å; V847-Y891 HydrophobicContact CG2-CE2 3.65Å; V847-Y891 HydrophobicContact CG2-CG 3.72Å; D850-Y891 HydrophobicContact CB-CE1 4.38Å; D850-Y891 WeakPolarHBondContact CB-OH 3.49Å; D850-Y891 PolarHBondContact OD2-OH 2.91Å; L879-Y891 HydrophobicContact CD1-CE2 4.26Å; L879-Y891 HydrophobicContact CD2-CE2 4.22Å; V883-Y891 HydrophobicContact CG2-CD2 3.65Å; V883-Y891 HydrophobicContact CG2-CG 4.21Å; Y891-M895 HydrophobicContact CD2-CB 4.46Å; Y891-M895 HydrophobicContact CD2-SD 3.89Å; Y891-M895 HydrophobicContact CE2-CB 3.81Å; Y891-M895 HydrophobicContact CE2-SD 4.19Å
892	T	88.7	Confident	91.3	Very high	41 Å²	41	29.7 Å²	29.7	25%	0.252	15%	0.146	S	C	.	.	P	Polyproline II helix	trans	-103.2	131.8	176.6	-69.4	0	0	0	0	110.7	G894 M895 F961	T892-G894 PolarHBondContact O-N 2.96Å; T892-M895 VanDerWaalsContact O-CG 3.3Å; T892-M895 WeakPolarHBondContact O-CG 2.92Å; T892-M895 PolarHBondContact O-N 3.09Å; T892-F961 HydrophobicContact CG2-CD1 3.65Å; T892-F961 HydrophobicContact CG2-CE1 4.32Å; T892-F961 PolarHBondContact OG1-O 3.14Å; T892-F961 VanDerWaalsContact OG1-O 3.11Å
893	Q	88.9	Confident	91.3	Very high	122 Å²	122	29.5 Å²	29.5	57%	0.57	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	134.2	176.7	167.5	171.9	-34.4	0	0	110.9	R853	R853-Q893 VanDerWaalsContact NH2-CG 3.35Å
894	G	89.9	Confident	91.3	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.01	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.8	-21.2	-177.2	0	0	0	0	0	114.1	T892 C896 D897 I898 L1010	T892-G894 PolarHBondContact O-N 2.96Å; G894-C896 PolarHBondContact O-N 3.21Å; G894-C896 VanDerWaalsContact O-N 3.16Å; G894-D897 WeakPolarHBondContact O-CB 3.44Å; G894-D897 PolarHBondContact O-N 3.43Å; G894-I898 PolarHBondContact O-N 2.73Å; G894-L1010 VanDerWaalsContact CA-CD2 3.42Å
895	M	93.6	Very high	91.2	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.02	14%	0.144	C	C	.	.	H	α-helix	trans	-58.7	-29.4	173.9	-68.8	170	72.5	0	0	112.6	L879 Y882 Y891 T892 D897 I898 V899 F949 M953 F961	L879-M895 HydrophobicContact CD2-CB 4.11Å; Y882-M895 HydrophobicContact CD1-CE 3.47Å; Y882-M895 VanDerWaalsContact CD1-CE 3.47Å; Y882-M895 HydrophobicContact CE1-CE 3.43Å; Y882-M895 VanDerWaalsContact CE1-CE 3.43Å; Y891-M895 HydrophobicContact CD2-CB 4.46Å; Y891-M895 HydrophobicContact CD2-SD 3.89Å; Y891-M895 HydrophobicContact CE2-CB 3.81Å; Y891-M895 HydrophobicContact CE2-SD 4.19Å; T892-M895 VanDerWaalsContact O-CG 3.3Å; T892-M895 WeakPolarHBondContact O-CG 2.92Å; T892-M895 PolarHBondContact O-N 3.09Å; M895-D897 VanDerWaalsContact C-N 3.34Å; M895-I898 PolarHBondContact O-N 3.34Å; M895-V899 PolarHBondContact O-N 2.88Å; M895-F949 HydrophobicContact CB-CZ 4.27Å; M895-F949 HydrophobicContact CE-CE1 4.43Å; M895-F949 HydrophobicContact CE-CZ 3.95Å; M895-M953 HydrophobicContact CE-CE 4.11Å; M895-M953 HydrophobicContact CG-CE 4.35Å; M895-F961 HydrophobicContact CG-CD1 3.59Å; M895-F961 HydrophobicContact CG-CE1 3.64Å; M895-F961 HydrophobicContact CG-CG 4.29Å; M895-F961 HydrophobicContact CG-CZ 4.37Å; M895-F961 HydrophobicContact SD-CD1 4.33Å
896	C	95.1	Very high	91.2	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.014	14%	0.138	C	C	.	.	H	α-helix	trans	-64.8	-36.7	173.9	-165.3	0	0	0	0	112.8	D850 C854 L879 G894 I898 V899 A900	D850-C896 HydrophobicContact CB-CB 3.92Å; C854-C896 VanDerWaalsContact SG-SG 3.68Å; L879-C896 HydrophobicContact CD1-CB 3.93Å; G894-C896 PolarHBondContact O-N 3.21Å; G894-C896 VanDerWaalsContact O-N 3.16Å; C896-I898 PolarHBondContact O-N 2.91Å; C896-V899 PolarHBondContact O-N 2.82Å; C896-A900 PolarHBondContact O-N 3.37Å; C896-A900 VanDerWaalsContact O-N 3.16Å
897	D	94.1	Very high	91.2	Very high	20 Å²	20	26.9 Å²	26.9	11%	0.107	14%	0.137	C	C	.	.	H	α-helix	trans	-67.7	-26.1	177.4	-59.1	-48	0	0	0	111.6	G894 M895 P901 L1010 R1014	G894-D897 WeakPolarHBondContact O-CB 3.44Å; G894-D897 PolarHBondContact O-N 3.43Å; M895-D897 VanDerWaalsContact C-N 3.34Å; D897-P901 WeakPolarHBondContact O-CD 3.32Å; D897-P901 WeakPolarHBondContact O-CG 3.45Å; D897-L1010 HydrophobicContact CB-CD2 4.35Å; D897-R1014 IonicContact OD1-CZ 3.02Å; D897-R1014 IonicContact OD1-NE 2.65Å; D897-R1014 PolarHBondContact OD1-NE 3.44Å; D897-R1014 IonicContact OD1-NH2 4Å; D897-R1014 PolarHBondContact OD1-NH2 3.44Å
898	I	95.4	Very high	91	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-80.2	-35.8	176.2	-54.8	-58.1	0	0	0	111.9	G894 M895 C896 L902 F949 L952 L957 F961 L1010 W1025	G894-I898 PolarHBondContact O-N 2.73Å; M895-I898 PolarHBondContact O-N 3.34Å; C896-I898 PolarHBondContact O-N 2.91Å; I898-L902 WeakPolarHBondContact O-CG 3.45Å; I898-F949 HydrophobicContact CB-CE2 4.11Å; I898-F949 HydrophobicContact CG2-CD2 4.01Å; I898-F949 HydrophobicContact CG2-CE2 3.95Å; I898-L952 HydrophobicContact CG2-CD2 3.63Å; I898-L952 HydrophobicContact CG2-CG 4.49Å; I898-L957 HydrophobicContact CD1-CD1 4.17Å; I898-L957 HydrophobicContact CG1-CD1 4.22Å; I898-L957 HydrophobicContact CG2-CD1 4.02Å; I898-F961 HydrophobicContact CG1-CZ 4.29Å; I898-L1010 WeakPolarHBondContact CD1-O 3.28Å; I898-W1025 HydrophobicContact CD1-CZ2 4.35Å; I898-W1025 HydrophobicContact CG2-CH2 4.4Å
899	V	95.8	Very high	90.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-72.5	-38.3	178.4	177.3	0	0	0	0	112.5	I875 I878 L879 M895 C896 L902 L903 T945 F949	I875-V899 HydrophobicContact CB-CG1 4.44Å; I875-V899 HydrophobicContact CG1-CG1 4.1Å; I875-V899 HydrophobicContact CG2-CB 4.3Å; I875-V899 HydrophobicContact CG2-CG1 4.02Å; I878-V899 HydrophobicContact CB-CG1 4.48Å; I878-V899 HydrophobicContact CD1-CG1 4.4Å; I878-V899 HydrophobicContact CG2-CG1 4.04Å; I878-V899 HydrophobicContact CG2-CG2 4.31Å; L879-V899 HydrophobicContact CD2-CG2 3.59Å; L879-V899 HydrophobicContact CG-CG2 4.2Å; M895-V899 PolarHBondContact O-N 2.88Å; C896-V899 PolarHBondContact O-N 2.82Å; V899-L902 WeakPolarHBondContact O-CB 3.47Å; V899-L902 PolarHBondContact O-N 3.25Å; V899-L902 VanDerWaalsContact O-N 3.08Å; V899-L903 PolarHBondContact O-N 2.81Å; V899-T945 HydrophobicContact CG1-CG2 4.27Å; V899-F949 HydrophobicContact CG2-CB 4.34Å; V899-F949 HydrophobicContact CG2-CD1 3.78Å; V899-F949 HydrophobicContact CG2-CD2 3.42Å; V899-F949 VanDerWaalsContact CG2-CD2 3.42Å; V899-F949 HydrophobicContact CG2-CE1 3.84Å; V899-F949 HydrophobicContact CG2-CE2 3.5Å; V899-F949 VanDerWaalsContact CG2-CE2 3.5Å; V899-F949 HydrophobicContact CG2-CG 3.56Å; V899-F949 HydrophobicContact CG2-CZ 3.71Å
900	A	95.1	Very high	90.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.9	-40.2	-171.7	0	0	0	0	0	115	C854 Y861 I875 C896 A904	C854-A900 VanDerWaalsContact SG-CB 3.56Å; Y861-A900 HydrophobicContact CE2-CB 3.81Å; Y861-A900 PolarHBondContact OH-O 2.81Å; I875-A900 HydrophobicContact CD1-CB 3.9Å; C896-A900 PolarHBondContact O-N 3.37Å; C896-A900 VanDerWaalsContact O-N 3.16Å; A900-A904 WeakPolarHBondContact O-CB 3.43Å; A900-A904 PolarHBondContact O-N 2.7Å
901	P	94.5	Very high	89.7	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.4	-39	171.9	-21.9	33.8	0	0	0	112.9	D897 L903 A904 L905 K1013 I1021 F1022 W1025	D897-P901 WeakPolarHBondContact O-CD 3.32Å; D897-P901 WeakPolarHBondContact O-CG 3.45Å; P901-L903 PolarHBondContact O-N 2.91Å; P901-A904 PolarHBondContact O-N 2.96Å; P901-L905 WeakPolarHBondContact O-CB 3.26Å; P901-L905 PolarHBondContact O-N 3.39Å; P901-K1013 HydrophobicContact CG-CD 3.53Å; P901-K1013 HydrophobicContact CG-CG 3.99Å; P901-I1021 HydrophobicContact CB-CG2 4.47Å; P901-F1022 HydrophobicContact CB-CE1 3.7Å; P901-F1022 HydrophobicContact CB-CZ 4.42Å; P901-F1022 WeakPolarHBondContact O-CE1 3.42Å; P901-F1022 WeakPolarHBondContact O-CZ 3.32Å; P901-W1025 HydrophobicContact CB-CH2 3.97Å; P901-W1025 HydrophobicContact CB-CZ3 4.1Å; P901-W1025 HydrophobicContact CG-CH2 3.9Å
902	L	95.3	Very high	88.3	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.3	-42.1	-179	-62.8	174.3	0	0	0	111.8	W755 I898 V899 L905 K906 T945 L948 F949 L952 W1025	W755-L902 HydrophobicContact CE3-CD2 4.15Å; W755-L902 HydrophobicContact CZ3-CD2 3.63Å; I898-L902 WeakPolarHBondContact O-CG 3.45Å; V899-L902 WeakPolarHBondContact O-CB 3.47Å; V899-L902 PolarHBondContact O-N 3.25Å; V899-L902 VanDerWaalsContact O-N 3.08Å; L902-L905 PolarHBondContact O-N 3.02Å; L902-K906 PolarHBondContact O-N 2.82Å; L902-K906 VanDerWaalsContact O-N 3.13Å; L902-T945 HydrophobicContact CB-CG2 3.95Å; L902-L948 HydrophobicContact CD1-CB 4.41Å; L902-L948 HydrophobicContact CD2-CB 4.21Å; L902-L948 HydrophobicContact CD2-CD1 4.48Å; L902-F949 HydrophobicContact CD1-CB 3.71Å; L902-F949 HydrophobicContact CD1-CD2 4.16Å; L902-F949 HydrophobicContact CD1-CG 4.44Å; L902-L952 HydrophobicContact CD1-CD2 4.24Å; L902-W1025 HydrophobicContact CD2-CZ3 3.94Å; L902-W1025 HydrophobicContact CG-CZ3 4.21Å
903	L	94.7	Very high	87	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-67.1	-41	175.9	-179.3	58	0	0	0	111.2	Y861 N871 T874 I875 V899 P901 K906 L907 I941 T945	Y861-L903 HydrophobicContact CE1-CD2 4.14Å; Y861-L903 WeakPolarHBondContact OH-CB 3.4Å; N871-L903 HydrophobicContact CB-CD2 4.3Å; N871-L903 WeakPolarHBondContact O-CD2 3.4Å; T874-L903 HydrophobicContact CG2-CD1 4.26Å; T874-L903 HydrophobicContact CG2-CD2 4.31Å; I875-L903 HydrophobicContact CD1-CD2 4.24Å; I875-L903 HydrophobicContact CG1-CD2 3.6Å; V899-L903 PolarHBondContact O-N 2.81Å; P901-L903 PolarHBondContact O-N 2.91Å; L903-K906 PolarHBondContact O-N 2.84Å; L903-L907 HydrophobicContact CD1-CD1 4.14Å; L903-L907 HydrophobicContact CD1-CG 4.27Å; L903-L907 HydrophobicContact CG-CD1 3.89Å; L903-L907 HydrophobicContact CG-CG 4.47Å; L903-L907 WeakPolarHBondContact O-CB 3.29Å; L903-L907 VanDerWaalsContact O-CG 3.29Å; L903-L907 WeakPolarHBondContact O-CG 3.03Å; L903-L907 PolarHBondContact O-N 3.14Å; L903-I941 HydrophobicContact CD1-CG2 3.84Å; L903-T945 HydrophobicContact CB-CG2 3.82Å; L903-T945 HydrophobicContact CD1-CG2 4.4Å
904	A	92.3	Very high	85.4	Confident	6 Å²	6	24.6 Å²	24.6	5%	0.05	14%	0.137	C	C	.	.	H	α-helix	trans	-62.6	-42	176.2	0	0	0	0	0	112.2	V860 A900 P901 K906 L907 E908 Y1018	V860-A904 HydrophobicContact CG1-CB 4.32Å; V860-A904 HydrophobicContact CG2-CB 4.15Å; A900-A904 WeakPolarHBondContact O-CB 3.43Å; A900-A904 PolarHBondContact O-N 2.7Å; P901-A904 PolarHBondContact O-N 2.96Å; A904-K906 PolarHBondContact O-N 2.89Å; A904-L907 PolarHBondContact O-N 2.94Å; A904-E908 WeakPolarHBondContact O-CB 3.27Å; A904-E908 PolarHBondContact O-N 3.46Å; A904-Y1018 HydrophobicContact CB-CD2 3.6Å; A904-Y1018 HydrophobicContact CB-CE2 3.52Å
905	L	92.4	Very high	83.4	Confident	7 Å²	7	28.4 Å²	28.4	4%	0.037	16%	0.164	C	C	.	.	H	α-helix	trans	-59.9	-42.4	175.1	-178.5	143.3	0	0	0	112.3	R751 N752 W755 P901 L902 L948 F1022	R751-L905 HydrophobicContact CB-CD1 4.04Å; R751-L905 HydrophobicContact CB-CG 4.43Å; N752-L905 WeakPolarHBondContact OD1-CD2 3.47Å; W755-L905 HydrophobicContact CD2-CD1 3.98Å; W755-L905 HydrophobicContact CE3-CD1 3.97Å; W755-L905 HydrophobicContact CH2-CD1 3.58Å; W755-L905 HydrophobicContact CZ2-CD1 3.55Å; W755-L905 HydrophobicContact CZ3-CD1 3.79Å; P901-L905 WeakPolarHBondContact O-CB 3.26Å; P901-L905 PolarHBondContact O-N 3.39Å; L902-L905 PolarHBondContact O-N 3.02Å; L905-L948 HydrophobicContact CD2-CD1 4.42Å; L905-F1022 HydrophobicContact CB-CE1 3.93Å; L905-F1022 HydrophobicContact CB-CE2 4.3Å; L905-F1022 HydrophobicContact CB-CZ 3.69Å; L905-F1022 HydrophobicContact CD1-CD1 3.87Å; L905-F1022 HydrophobicContact CD1-CD2 4.35Å; L905-F1022 HydrophobicContact CD1-CE1 3.87Å; L905-F1022 HydrophobicContact CD1-CE2 4.37Å; L905-F1022 HydrophobicContact CD1-CG 4.11Å; L905-F1022 HydrophobicContact CD1-CZ 4.14Å; L905-F1022 HydrophobicContact CG-CZ 4.45Å
906	K	91.5	Very high	81	Confident	29 Å²	29	32.9 Å²	32.9	13%	0.126	20%	0.196	C	C	.	.	H	α-helix	trans	-67.5	-40.1	175.5	-72.5	-77.1	169.8	-158.7	0	112.2	N752 L902 L903 A904 S910 I941	N752-K906 VanDerWaalsContact OD1-CD 3.27Å; N752-K906 WeakPolarHBondContact OD1-CD 3.46Å; N752-K906 WeakPolarHBondContact OD1-CE 3.29Å; N752-K906 PolarHBondContact OD1-NZ 3.48Å; L902-K906 PolarHBondContact O-N 2.82Å; L902-K906 VanDerWaalsContact O-N 3.13Å; L903-K906 PolarHBondContact O-N 2.84Å; A904-K906 PolarHBondContact O-N 2.89Å; K906-S910 PolarHBondContact O-N 2.86Å; K906-I941 HydrophobicContact CB-CG2 3.98Å
907	L	89	Confident	78.4	Confident	16 Å²	16	36.9 Å²	36.9	8%	0.084	22%	0.224	C	C	.	.	H	α-helix	trans	-68.1	-45	178.7	-73.9	167.4	0	0	0	112.7	V860 L903 A904 H909 S910 N911 I941	V860-L907 HydrophobicContact CG1-CD1 3.7Å; L903-L907 HydrophobicContact CD1-CD1 4.14Å; L903-L907 HydrophobicContact CD1-CG 4.27Å; L903-L907 HydrophobicContact CG-CD1 3.89Å; L903-L907 HydrophobicContact CG-CG 4.47Å; L903-L907 WeakPolarHBondContact O-CB 3.29Å; L903-L907 VanDerWaalsContact O-CG 3.29Å; L903-L907 WeakPolarHBondContact O-CG 3.03Å; L903-L907 PolarHBondContact O-N 3.14Å; A904-L907 PolarHBondContact O-N 2.94Å; L907-H909 VanDerWaalsContact C-N 3.32Å; L907-H909 PolarHBondContact O-N 2.91Å; L907-S910 PolarHBondContact O-N 3.41Å; L907-S910 VanDerWaalsContact O-N 3.09Å; L907-S910 PolarHBondContact O-OG 3.33Å; L907-N911 PolarHBondContact O-N 3.15Å; L907-I941 HydrophobicContact CD2-CD1 4.3Å; L907-I941 HydrophobicContact CD2-CG2 4.16Å; L907-I941 HydrophobicContact CG-CG2 4.31Å
908	E	83.9	Confident	75.8	Confident	72 Å²	72	42.2 Å²	42.2	34%	0.336	25%	0.251	S	S	.	.	H	α-helix	trans	-55.2	-46.3	-179.8	-174.1	179.6	172.1	0	0	111.5	A904 S910 N911 T912 Q1019	A904-E908 WeakPolarHBondContact O-CB 3.27Å; A904-E908 PolarHBondContact O-N 3.46Å; E908-S910 PolarHBondContact O-N 3.3Å; E908-N911 PolarHBondContact O-N 3.48Å; E908-T912 PolarHBondContact O-N 3.22Å; E908-T912 PolarHBondContact O-OG1 2.8Å; E908-Q1019 PolarHBondContact OE1-NE2 2.92Å; E908-Q1019 PolarHBondContact OE2-NE2 2.66Å; E908-Q1019 VanDerWaalsContact OE2-NE2 3.09Å
909	H	78.1	Confident	72.8	Confident	49 Å²	49	53.1 Å²	53.1	23%	0.227	29%	0.293	C	S	.	.	H	α-helix	trans	-69.1	-30.9	178.2	-173.1	101.9	0	0	0	113.8	E749 N752 L907 N911 T912 T913	E749-H909 PolarHBondContact O-CE1 2.89Å; E749-H909 VanDerWaalsContact O-CE1 3.24Å; E749-H909 PolarHBondContact O-ND1 3.22Å; N752-H909 WeakPolarHBondContact ND2-CB 3.44Å; N752-H909 PolarHBondContact ND2-CD2 3.02Å; L907-H909 VanDerWaalsContact C-N 3.32Å; L907-H909 PolarHBondContact O-N 2.91Å; H909-N911 VanDerWaalsContact C-N 3.3Å; H909-T912 WeakPolarHBondContact CA-OG1 3.47Å; H909-T912 PolarHBondContact O-OG1 2.92Å; H909-T912 VanDerWaalsContact O-OG1 3.11Å; H909-T913 WeakPolarHBondContact O-CB 3.43Å; H909-T913 PolarHBondContact O-N 2.89Å; H909-T913 VanDerWaalsContact O-N 3.08Å; H909-T913 PolarHBondContact O-OG1 3.34Å
910	S	75.5	Confident	69.8	Low	18 Å²	18	60.7 Å²	60.7	13%	0.126	33%	0.33	C	S	.	.	H	α-helix	trans	-66.4	-35.2	175	75.8	0	0	0	0	111.6	K906 L907 E908 S914	K906-S910 PolarHBondContact O-N 2.86Å; L907-S910 PolarHBondContact O-N 3.41Å; L907-S910 VanDerWaalsContact O-N 3.09Å; L907-S910 PolarHBondContact O-OG 3.33Å; E908-S910 PolarHBondContact O-N 3.3Å; S910-S914 WeakPolarHBondContact O-CB 3.42Å; S910-S914 PolarHBondContact O-N 3Å; S910-S914 VanDerWaalsContact O-N 3.08Å; S910-S914 PolarHBondContact O-OG 3.42Å
911	N	69	Low	66.9	Low	102 Å²	102	67.6 Å²	67.6	55%	0.545	37%	0.367	S	S	.	.	H	α-helix	trans	-69.8	-47.8	175.7	-68.4	-21.5	0	0	0	111.3	L907 E908 H909 T913 S914 S915	L907-N911 PolarHBondContact O-N 3.15Å; E908-N911 PolarHBondContact O-N 3.48Å; H909-N911 VanDerWaalsContact C-N 3.3Å; N911-T913 VanDerWaalsContact C-N 3.33Å; N911-T913 PolarHBondContact O-N 3.16Å; N911-S914 PolarHBondContact O-N 3.47Å; N911-S914 VanDerWaalsContact O-N 3.15Å; N911-S915 PolarHBondContact O-N 2.83Å; N911-S915 PolarHBondContact O-OG 2.65Å; N911-S915 VanDerWaalsContact O-OG 3.13Å
912	T	62.1	Low	63.9	Low	74 Å²	74	76.9 Å²	76.9	45%	0.454	41%	0.41	S	S	.	.	H	α-helix	trans	-64.4	-35.8	-179.7	52.7	0	0	0	0	113	E908 H909 S916	E908-T912 PolarHBondContact O-N 3.22Å; E908-T912 PolarHBondContact O-OG1 2.8Å; H909-T912 WeakPolarHBondContact CA-OG1 3.47Å; H909-T912 PolarHBondContact O-OG1 2.92Å; H909-T912 VanDerWaalsContact O-OG1 3.11Å; T912-S916 PolarHBondContact O-N 2.65Å; T912-S916 PolarHBondContact O-OG 3.29Å
913	T	60.3	Low	61.2	Low	73 Å²	73	81.9 Å²	81.9	45%	0.448	44%	0.437	S	S	.	.	H	α-helix	trans	-67.6	-40	173.3	-52.8	0	0	0	0	111.6	H909 N911 S916 S917	H909-T913 WeakPolarHBondContact O-CB 3.43Å; H909-T913 PolarHBondContact O-N 2.89Å; H909-T913 VanDerWaalsContact O-N 3.08Å; H909-T913 PolarHBondContact O-OG1 3.34Å; N911-T913 VanDerWaalsContact C-N 3.33Å; N911-T913 PolarHBondContact O-N 3.16Å; T913-S916 PolarHBondContact O-OG 3.2Å; T913-S917 PolarHBondContact O-OG 2.95Å
914	S	55	Low	58.6	Low	41 Å²	41	87.3 Å²	87.3	29%	0.287	47%	0.472	S	S	.	.	H	α-helix	trans	-67.6	-47.4	177	-58.2	0	0	0	0	111.7	S910 N911 S916 S917 L918	S910-S914 WeakPolarHBondContact O-CB 3.42Å; S910-S914 PolarHBondContact O-N 3Å; S910-S914 VanDerWaalsContact O-N 3.08Å; S910-S914 PolarHBondContact O-OG 3.42Å; N911-S914 PolarHBondContact O-N 3.47Å; N911-S914 VanDerWaalsContact O-N 3.15Å; S914-S916 VanDerWaalsContact C-N 3.26Å; S914-S916 PolarHBondContact O-N 3.46Å; S914-S917 PolarHBondContact O-N 3.06Å; S914-S917 VanDerWaalsContact O-N 3.09Å; S914-S917 PolarHBondContact O-OG 3.41Å; S914-L918 WeakPolarHBondContact O-CB 3.22Å; S914-L918 WeakPolarHBondContact O-CD1 3.49Å; S914-L918 WeakPolarHBondContact O-CG 3.44Å; S914-L918 PolarHBondContact O-N 3.06Å
915	S	48.9	Very low	56.5	Low	82 Å²	82	92 Å²	92	57%	0.573	51%	0.505	S	S	*	.	H	α-helix	trans	-64.4	-25	-178.4	-61.6	0	0	0	0	114.5	N911	N911-S915 PolarHBondContact O-N 2.83Å; N911-S915 PolarHBondContact O-OG 2.65Å; N911-S915 VanDerWaalsContact O-OG 3.13Å
916	S	43.4	Very low	54.3	Low	98 Å²	98	95.2 Å²	95.2	69%	0.685	52%	0.521	S	S	*	.	H	α-helix	trans	-80	-24.5	174.9	45.3	0	0	0	0	113.2	T912 T913 S914	T912-S916 PolarHBondContact O-N 2.65Å; T912-S916 PolarHBondContact O-OG 3.29Å; T913-S916 PolarHBondContact O-OG 3.2Å; S914-S916 VanDerWaalsContact C-N 3.26Å; S914-S916 PolarHBondContact O-N 3.46Å
917	S	41.1	Very low	51.9	Low	86 Å²	86	99.9 Å²	99.9	60%	0.601	55%	0.547	S	S	*	.	H	α-helix	trans	-91.7	-23.5	177	62	0	0	0	0	114.6	T913 S914 R919	T913-S917 PolarHBondContact O-OG 2.95Å; S914-S917 PolarHBondContact O-N 3.06Å; S914-S917 VanDerWaalsContact O-N 3.09Å; S914-S917 PolarHBondContact O-OG 3.41Å; S917-R919 PolarHBondContact O-N 3.45Å
918	L	39.5	Very low	49.8	Very low	132 Å²	132	107.8 Å²	107.8	69%	0.691	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	11.1	-171.6	-78.2	166.1	0	0	0	116.4	S914 M920	S914-L918 WeakPolarHBondContact O-CB 3.22Å; S914-L918 WeakPolarHBondContact O-CD1 3.49Å; S914-L918 WeakPolarHBondContact O-CG 3.44Å; S914-L918 PolarHBondContact O-N 3.06Å; L918-M920 VanDerWaalsContact C-N 3.3Å; L918-M920 PolarHBondContact O-N 2.89Å
919	R	32.1	Very low	47.7	Very low	229 Å²	229	111 Å²	111	86%	0.864	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	5.6	175.7	-76.5	-166.4	177	-163.9	-0.3	114.9	S917	S917-R919 PolarHBondContact O-N 3.45Å
920	M	32.4	Very low	45.8	Very low	158 Å²	158	114.3 Å²	114.3	78%	0.778	61%	0.613	S	S	*	*	S	Bend	trans	-137.9	140.8	174	-66	-64.4	-131	0	0	110.5	L918	L918-M920 VanDerWaalsContact C-N 3.3Å; L918-M920 PolarHBondContact O-N 2.89Å
921	N	33.7	Very low	44.8	Very low	146 Å²	146	117.5 Å²	117.5	78%	0.781	63%	0.629	S	S	*	*			trans	80.9	76.3	176	-52.3	-31.2	0	0	0	117.5	N923	N921-N923 PolarHBondContact O-N 2.92Å
922	E	32.4	Very low	44.3	Very low	194 Å²	194	117 Å²	117	91%	0.907	63%	0.626	S	S	*	*			trans	-68.9	107.4	149.5	-65.4	-177.3	159.8	0	0	109.5
923	N	38.7	Very low	44.5	Very low	105 Å²	105	119 Å²	119	56%	0.561	63%	0.634	S	S	*	*			trans	-137	100.9	171.1	-98	-40.9	0	0	0	109.9	N921 S925	N921-N923 PolarHBondContact O-N 2.92Å; N923-S925 PolarHBondContact O-N 2.96Å
924	P	39.5	Very low	45	Very low	117 Å²	117	117.9 Å²	117.9	76%	0.76	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	17.8	-168.4	-22.6	34.7	0	0	0	118
925	S	48.8	Very low	46.2	Very low	104 Å²	104	120.5 Å²	120.5	73%	0.727	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.9	4.4	-166.1	49.2	0	0	0	0	115.7	N923	N923-S925 PolarHBondContact O-N 2.96Å
926	I	46.4	Very low	47.8	Very low	75 Å²	75	121 Å²	121	39%	0.385	63%	0.632	S	S	.	*			trans	-101.6	11.2	-169.9	-44.5	-178.2	0	0	0	112.8	K928 Q929 M930	I926-K928 PolarHBondContact O-N 2.87Å; I926-Q929 HydrophobicContact CG2-CB 3.91Å; I926-Q929 PolarHBondContact O-N 3.04Å; I926-M930 HydrophobicContact CB-CG 4.22Å; I926-M930 HydrophobicContact CB-SD 4.35Å; I926-M930 HydrophobicContact CG2-CG 4.05Å; I926-M930 PolarHBondContact O-N 3.37Å; I926-M930 VanDerWaalsContact O-N 3.09Å
927	N	39.5	Very low	49.8	Very low	126 Å²	126	120.3 Å²	120.3	67%	0.674	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-0.9	-165.5	-62.9	-7.2	0	0	0	117.2
928	K	46.5	Very low	51.9	Low	183 Å²	183	118.7 Å²	118.7	80%	0.796	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	-34.2	167.5	-100.6	-176.1	175	-179.5	0	114	I926	I926-K928 PolarHBondContact O-N 2.87Å
929	Q	38.6	Very low	54.3	Low	139 Å²	139	114.3 Å²	114.3	65%	0.65	58%	0.582	S	S	*	*	H	α-helix	trans	-77.8	-26.8	176.8	-77.3	177.8	-30	0	0	112.3	I926 D931 N933	I926-Q929 HydrophobicContact CG2-CB 3.91Å; I926-Q929 PolarHBondContact O-N 3.04Å; Q929-D931 VanDerWaalsContact C-N 3.28Å; Q929-D931 PolarHBondContact O-N 3.02Å; Q929-N933 PolarHBondContact O-N 3.06Å
930	M	38	Very low	57.1	Low	118 Å²	118	107 Å²	107	58%	0.581	56%	0.56	S	S	*	*	H	α-helix	trans	-62.6	-34.1	173.7	-71.5	178.3	72.9	0	0	112.8	I926 S934	I926-M930 HydrophobicContact CB-CG 4.22Å; I926-M930 HydrophobicContact CB-SD 4.35Å; I926-M930 HydrophobicContact CG2-CG 4.05Å; I926-M930 PolarHBondContact O-N 3.37Å; I926-M930 VanDerWaalsContact O-N 3.09Å; M930-S934 WeakPolarHBondContact O-CB 3.16Å; M930-S934 PolarHBondContact O-N 3.36Å; M930-S934 VanDerWaalsContact O-N 3.11Å
931	D	53.7	Low	59.9	Low	86 Å²	86	100.2 Å²	100.2	46%	0.46	53%	0.526	S	S	.	.	H	α-helix	trans	-70.8	-40.9	-176.3	-167.5	44.4	0	0	0	111.9	Q929 S934 K935	Q929-D931 VanDerWaalsContact C-N 3.28Å; Q929-D931 PolarHBondContact O-N 3.02Å; D931-S934 PolarHBondContact O-N 2.82Å; D931-S934 PolarHBondContact O-OG 3.25Å; D931-K935 WeakPolarHBondContact O-CG 3.33Å; D931-K935 PolarHBondContact O-N 3.49Å; D931-K935 IonicContact OD1-NZ 2.86Å; D931-K935 VanDerWaalsContact OD2-CE 3.25Å; D931-K935 WeakPolarHBondContact OD2-CE 3.32Å; D931-K935 IonicContact OD2-NZ 2.73Å; D931-K935 PolarHBondContact OD2-NZ 2.91Å
932	D	60	Low	62.8	Low	92 Å²	92	93.7 Å²	93.7	49%	0.492	49%	0.491	S	S	.	.	H	α-helix	trans	-72.2	-45	178.5	-66.9	-23.6	0	0	0	112.2	S934 K935 D936	D932-S934 PolarHBondContact O-N 2.91Å; D932-K935 PolarHBondContact O-N 2.93Å; D932-K935 IonicContact OD1-NZ 2.66Å; D932-K935 PolarHBondContact OD1-NZ 3.47Å; D932-D936 PolarHBondContact O-N 3.5Å; D932-D936 VanDerWaalsContact O-N 3.08Å
933	N	65.5	Low	65.8	Low	115 Å²	115	85 Å²	85	62%	0.615	45%	0.451	S	S	*	.	H	α-helix	trans	-57	-34.7	173.3	-72.7	-8.5	0	0	0	112.3	Q929 L937	Q929-N933 PolarHBondContact O-N 3.06Å; N933-L937 PolarHBondContact O-N 3.17Å; N933-L937 VanDerWaalsContact O-N 3.14Å
934	S	71.8	Confident	68.4	Low	50 Å²	50	80.8 Å²	80.8	35%	0.35	43%	0.433	S	S	.	.	H	α-helix	trans	-68.3	-35.2	177.2	82.9	0	0	0	0	112.8	M930 D931 D932 L938	M930-S934 WeakPolarHBondContact O-CB 3.16Å; M930-S934 PolarHBondContact O-N 3.36Å; M930-S934 VanDerWaalsContact O-N 3.11Å; D931-S934 PolarHBondContact O-N 2.82Å; D931-S934 PolarHBondContact O-OG 3.25Å; D932-S934 PolarHBondContact O-N 2.91Å; S934-L938 WeakPolarHBondContact O-CB 3.47Å; S934-L938 WeakPolarHBondContact O-CD1 3.35Å; S934-L938 WeakPolarHBondContact O-CG 3.15Å; S934-L938 PolarHBondContact O-N 2.79Å; S934-L938 VanDerWaalsContact O-N 3.13Å
935	K	79.7	Confident	71.1	Confident	96 Å²	96	75.2 Å²	75.2	42%	0.417	40%	0.396	S	S	.	.	H	α-helix	trans	-71.5	-41.4	177.7	-67.5	163.3	-159.8	150.6	0	111.3	D931 D932 L938 N939	D931-K935 WeakPolarHBondContact O-CG 3.33Å; D931-K935 PolarHBondContact O-N 3.49Å; D931-K935 IonicContact OD1-NZ 2.86Å; D931-K935 VanDerWaalsContact OD2-CE 3.25Å; D931-K935 WeakPolarHBondContact OD2-CE 3.32Å; D931-K935 IonicContact OD2-NZ 2.73Å; D931-K935 PolarHBondContact OD2-NZ 2.91Å; D932-K935 PolarHBondContact O-N 2.93Å; D932-K935 IonicContact OD1-NZ 2.66Å; D932-K935 PolarHBondContact OD1-NZ 3.47Å; K935-L938 PolarHBondContact O-N 3.14Å; K935-N939 WeakPolarHBondContact O-CB 3.27Å; K935-N939 PolarHBondContact O-N 2.69Å
936	D	82.4	Confident	73.4	Confident	93 Å²	93	70.3 Å²	70.3	50%	0.497	36%	0.362	S	S	.	.	H	α-helix	trans	-63.8	-44	177.3	-75.9	-27.5	0	0	0	111.4	D932 L938 N939 D940	D932-D936 PolarHBondContact O-N 3.5Å; D932-D936 VanDerWaalsContact O-N 3.08Å; D936-L938 VanDerWaalsContact C-N 3.34Å; D936-L938 PolarHBondContact O-N 2.97Å; D936-N939 WeakPolarHBondContact O-CB 3.17Å; D936-N939 PolarHBondContact O-N 3.12Å; D936-D940 PolarHBondContact O-N 3.33Å
937	L	85.1	Confident	75.7	Confident	83 Å²	83	67.2 Å²	67.2	44%	0.435	35%	0.347	S	S	.	.	H	α-helix	trans	-59.7	-42.2	174.1	-179.7	63.1	0	0	0	112.4	N933 D940 I941	N933-L937 PolarHBondContact O-N 3.17Å; N933-L937 VanDerWaalsContact O-N 3.14Å; L937-D940 PolarHBondContact O-N 3.12Å; L937-I941 HydrophobicContact CD1-CD1 4.41Å; L937-I941 HydrophobicContact CG-CD1 4.11Å; L937-I941 VanDerWaalsContact O-CG1 3.29Å; L937-I941 WeakPolarHBondContact O-CG1 3.15Å; L937-I941 PolarHBondContact O-N 2.64Å
938	L	86.4	Confident	78.4	Confident	51 Å²	51	61.4 Å²	61.4	27%	0.267	32%	0.315	S	S	.	.	H	α-helix	trans	-67.7	-35.7	177.5	-72.1	165.4	0	0	0	112.6	S934 K935 D936 I941 E942	S934-L938 WeakPolarHBondContact O-CB 3.47Å; S934-L938 WeakPolarHBondContact O-CD1 3.35Å; S934-L938 WeakPolarHBondContact O-CG 3.15Å; S934-L938 PolarHBondContact O-N 2.79Å; S934-L938 VanDerWaalsContact O-N 3.13Å; K935-L938 PolarHBondContact O-N 3.14Å; D936-L938 VanDerWaalsContact C-N 3.34Å; D936-L938 PolarHBondContact O-N 2.97Å; L938-I941 PolarHBondContact O-N 3.45Å; L938-E942 WeakPolarHBondContact O-CB 3.48Å; L938-E942 PolarHBondContact O-N 3.33Å
939	N	89.7	Confident	80.7	Confident	41 Å²	41	52.7 Å²	52.7	22%	0.219	28%	0.278	C	S	.	.	H	α-helix	trans	-65.6	-42.4	174.4	-170.8	27.3	0	0	0	111	K935 D936 E942 I943	K935-N939 WeakPolarHBondContact O-CB 3.27Å; K935-N939 PolarHBondContact O-N 2.69Å; D936-N939 WeakPolarHBondContact O-CB 3.17Å; D936-N939 PolarHBondContact O-N 3.12Å; N939-E942 WeakPolarHBondContact O-CB 3.42Å; N939-E942 PolarHBondContact O-N 2.91Å; N939-I943 WeakPolarHBondContact O-CD1 3.33Å; N939-I943 VanDerWaalsContact O-CG1 3.27Å; N939-I943 WeakPolarHBondContact O-CG1 3.32Å; N939-I943 PolarHBondContact O-N 3.47Å
940	D	90	Very high	83.4	Confident	76 Å²	76	47 Å²	47	41%	0.406	25%	0.251	S	S	.	.	H	α-helix	trans	-68	-33.9	175.9	-72.4	-19.1	0	0	0	112.5	K779 D936 L937 G944	K779-D940 IonicContact NZ-OD1 2.65Å; K779-D940 PolarHBondContact NZ-OD1 2.78Å; K779-D940 IonicContact NZ-OD2 3.78Å; D936-D940 PolarHBondContact O-N 3.33Å; L937-D940 PolarHBondContact O-N 3.12Å; D940-G944 PolarHBondContact O-N 2.86Å
941	I	92.2	Very high	86.1	Confident	14 Å²	14	43.9 Å²	43.9	7%	0.072	23%	0.233	C	C	.	.	H	α-helix	trans	-63.6	-43.8	169.4	-73.7	165.1	0	0	0	111.2	L903 K906 L907 L937 L938 T945	L903-I941 HydrophobicContact CD1-CG2 3.84Å; K906-I941 HydrophobicContact CB-CG2 3.98Å; L907-I941 HydrophobicContact CD2-CD1 4.3Å; L907-I941 HydrophobicContact CD2-CG2 4.16Å; L907-I941 HydrophobicContact CG-CG2 4.31Å; L937-I941 HydrophobicContact CD1-CD1 4.41Å; L937-I941 HydrophobicContact CG-CD1 4.11Å; L937-I941 VanDerWaalsContact O-CG1 3.29Å; L937-I941 WeakPolarHBondContact O-CG1 3.15Å; L937-I941 PolarHBondContact O-N 2.64Å; L938-I941 PolarHBondContact O-N 3.45Å; I941-T945 WeakPolarHBondContact O-CB 3.31Å; I941-T945 PolarHBondContact O-N 3.26Å; I941-T945 PolarHBondContact O-OG1 3.09Å
942	E	94.7	Very high	88	Confident	9 Å²	9	39.9 Å²	39.9	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-51.1	177.6	176.4	173.1	165.9	0	0	111.9	Y782 T874 R877 I878 L938 N939 G944 T945 Y946	Y782-E942 HydrophobicContact CE1-CG 4.01Å; Y782-E942 WeakPolarHBondContact OH-CG 3.47Å; Y782-E942 PolarHBondContact OH-OE1 2.92Å; T874-E942 HydrophobicContact CG2-CB 3.77Å; T874-E942 HydrophobicContact CG2-CG 3.71Å; R877-E942 WeakPolarHBondContact CB-OE1 3.45Å; R877-E942 WeakPolarHBondContact CD-OE1 3.28Å; R877-E942 IonicContact CZ-OE1 3.28Å; R877-E942 IonicContact CZ-OE2 3.38Å; R877-E942 VanDerWaalsContact NE-CD 3.28Å; R877-E942 IonicContact NE-OE1 3.79Å; R877-E942 PolarHBondContact NE-OE1 3.34Å; R877-E942 IonicContact NE-OE2 3.78Å; R877-E942 PolarHBondContact NE-OE2 2.95Å; R877-E942 IonicContact NH2-OE1 2.74Å; R877-E942 IonicContact NH2-OE2 2.69Å; R877-E942 PolarHBondContact NH2-OE2 3.45Å; I878-E942 HydrophobicContact CD1-CG 4.27Å; I878-E942 HydrophobicContact CG1-CG 4Å; L938-E942 WeakPolarHBondContact O-CB 3.48Å; L938-E942 PolarHBondContact O-N 3.33Å; N939-E942 WeakPolarHBondContact O-CB 3.42Å; N939-E942 PolarHBondContact O-N 2.91Å; E942-G944 PolarHBondContact O-N 3.23Å; E942-T945 PolarHBondContact O-N 3.04Å; E942-Y946 PolarHBondContact O-N 3.09Å
943	I	94.8	Very high	89.6	Confident	11 Å²	11	35.6 Å²	35.6	6%	0.056	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-43.2	177.9	-65.5	157	0	0	0	110.6	K779 Y782 N939 T945 Y946 T947	K779-I943 HydrophobicContact CB-CD1 4.36Å; K779-I943 HydrophobicContact CB-CG2 4.41Å; K779-I943 HydrophobicContact CD-CD1 3.91Å; K779-I943 HydrophobicContact CG-CD1 3.76Å; Y782-I943 HydrophobicContact CD1-CG1 3.61Å; Y782-I943 HydrophobicContact CE1-CG1 4.17Å; Y782-I943 HydrophobicContact CG-CG1 4.2Å; N939-I943 WeakPolarHBondContact O-CD1 3.33Å; N939-I943 VanDerWaalsContact O-CG1 3.27Å; N939-I943 WeakPolarHBondContact O-CG1 3.32Å; N939-I943 PolarHBondContact O-N 3.47Å; I943-T945 VanDerWaalsContact C-N 3.3Å; I943-T945 PolarHBondContact O-N 3.39Å; I943-Y946 PolarHBondContact O-N 2.86Å; I943-T947 WeakPolarHBondContact O-CB 3.47Å; I943-T947 PolarHBondContact O-N 3.15Å; I943-T947 PolarHBondContact O-OG1 2.93Å
944	G	93.3	Very high	90.8	Very high	18 Å²	18	33.6 Å²	33.6	19%	0.186	18%	0.176	C	C	.	.	H	α-helix	trans	-63	-35.6	176.1	0	0	0	0	0	112.7	D940 E942 L948	D940-G944 PolarHBondContact O-N 2.86Å; E942-G944 PolarHBondContact O-N 3.23Å; G944-L948 WeakPolarHBondContact O-CG 3.31Å; G944-L948 PolarHBondContact O-N 3.23Å; G944-L948 VanDerWaalsContact O-N 3.17Å
945	T	95.9	Very high	91.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-70.9	-48.2	175.1	-56.4	0	0	0	0	111.5	I878 V899 L902 L903 I941 E942 I943 T947 L948 F949	I878-T945 HydrophobicContact CD1-CG2 3.65Å; V899-T945 HydrophobicContact CG1-CG2 4.27Å; L902-T945 HydrophobicContact CB-CG2 3.95Å; L903-T945 HydrophobicContact CB-CG2 3.82Å; L903-T945 HydrophobicContact CD1-CG2 4.4Å; I941-T945 WeakPolarHBondContact O-CB 3.31Å; I941-T945 PolarHBondContact O-N 3.26Å; I941-T945 PolarHBondContact O-OG1 3.09Å; E942-T945 PolarHBondContact O-N 3.04Å; I943-T945 VanDerWaalsContact C-N 3.3Å; I943-T945 PolarHBondContact O-N 3.39Å; T945-T947 PolarHBondContact O-N 3.23Å; T945-L948 PolarHBondContact O-N 2.68Å; T945-F949 WeakPolarHBondContact O-CB 3.48Å; T945-F949 PolarHBondContact O-N 3.2Å
946	Y	96.4	Very high	92.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-56.9	-40.1	174.8	161.9	-96.5	0	0	0	111.5	Y782 I878 T881 E885 E942 I943 F949 K950	Y782-Y946 AromaticContact CD2-CD1 3.34Å; Y782-Y946 HydrophobicContact CD2-CD1 3.34Å; Y782-Y946 AromaticContact CD2-CD2 3.82Å; Y782-Y946 HydrophobicContact CD2-CD2 3.82Å; Y782-Y946 AromaticContact CD2-CE1 3.67Å; Y782-Y946 HydrophobicContact CD2-CE1 3.67Å; Y782-Y946 HydrophobicContact CD2-CE2 4.13Å; Y782-Y946 AromaticContact CD2-CG 3.41Å; Y782-Y946 HydrophobicContact CD2-CG 3.41Å; Y782-Y946 VanDerWaalsContact CD2-CG 3.41Å; Y782-Y946 HydrophobicContact CE2-CD1 4Å; Y782-Y946 AromaticContact CE2-CD2 3.78Å; Y782-Y946 HydrophobicContact CE2-CD2 3.78Å; Y782-Y946 HydrophobicContact CE2-CE2 4.39Å; Y782-Y946 AromaticContact CE2-CG 3.56Å; Y782-Y946 HydrophobicContact CE2-CG 3.56Å; Y782-Y946 HydrophobicContact CG-CD1 4.11Å; Y782-Y946 HydrophobicContact CG-CE1 4.41Å; Y782-Y946 HydrophobicContact CG-CG 4.49Å; I878-Y946 HydrophobicContact CG2-CD2 4.43Å; T881-Y946 HydrophobicContact CG2-CE2 4.19Å; E885-Y946 PolarHBondContact OE2-OH 3.23Å; E942-Y946 PolarHBondContact O-N 3.09Å; I943-Y946 PolarHBondContact O-N 2.86Å; Y946-F949 PolarHBondContact O-N 3.44Å; Y946-K950 HydrophobicContact CE1-CD 4.37Å; Y946-K950 VanDerWaalsContact O-CB 3.27Å; Y946-K950 WeakPolarHBondContact O-CB 3.4Å; Y946-K950 PolarHBondContact O-N 3.17Å
947	T	95.3	Very high	92.6	Very high	11 Å²	11	28.6 Å²	28.6	7%	0.067	15%	0.148	C	C	.	.	H	α-helix	trans	-62.1	-52.4	177.4	-58.6	0	0	0	0	111.5	V761 L778 I943 T945 F949 K950 Y951	V761-T947 HydrophobicContact CG1-CG2 3.6Å; V761-T947 HydrophobicContact CG2-CG2 4.06Å; L778-T947 HydrophobicContact CD1-CG2 3.73Å; I943-T947 WeakPolarHBondContact O-CB 3.47Å; I943-T947 PolarHBondContact O-N 3.15Å; I943-T947 PolarHBondContact O-OG1 2.93Å; T945-T947 PolarHBondContact O-N 3.23Å; T947-F949 VanDerWaalsContact C-N 3.29Å; T947-F949 PolarHBondContact O-N 3.41Å; T947-K950 PolarHBondContact O-N 3.48Å; T947-Y951 HydrophobicContact CG2-CD2 4.21Å; T947-Y951 HydrophobicContact CG2-CE2 4.27Å; T947-Y951 WeakPolarHBondContact O-CD2 3.38Å; T947-Y951 PolarHBondContact O-N 3.02Å; T947-Y951 VanDerWaalsContact O-N 3.15Å
948	L	95.6	Very high	92.8	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.016	14%	0.141	C	C	.	.	H	α-helix	trans	-60.6	-40.6	177	-64.6	178.8	0	0	0	111.5	W755 P756 L759 L902 L905 G944 T945 L952	W755-L948 HydrophobicContact CB-CD2 4.32Å; P756-L948 HydrophobicContact CG-CD2 4.23Å; L759-L948 HydrophobicContact CD1-CB 4.04Å; L759-L948 HydrophobicContact CD1-CD2 3.79Å; L759-L948 HydrophobicContact CD1-CG 4.46Å; L902-L948 HydrophobicContact CD1-CB 4.41Å; L902-L948 HydrophobicContact CD2-CB 4.21Å; L902-L948 HydrophobicContact CD2-CD1 4.48Å; L905-L948 HydrophobicContact CD2-CD1 4.42Å; G944-L948 WeakPolarHBondContact O-CG 3.31Å; G944-L948 PolarHBondContact O-N 3.23Å; G944-L948 VanDerWaalsContact O-N 3.17Å; T945-L948 PolarHBondContact O-N 2.68Å; L948-L952 VanDerWaalsContact O-CB 3.24Å; L948-L952 WeakPolarHBondContact O-CB 3.36Å; L948-L952 PolarHBondContact O-N 3.16Å
949	F	96.2	Very high	93	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.8	-46.9	178.8	176.2	-118.2	0	0	0	112.3	I878 L879 Y882 M895 I898 V899 L902 T945 Y946 T947 Y951 L952 M953	I878-F949 HydrophobicContact CG2-CD1 4.19Å; L879-F949 HydrophobicContact CD2-CE1 4.13Å; L879-F949 HydrophobicContact CD2-CZ 4.07Å; Y882-F949 HydrophobicContact CD1-CE1 4.09Å; Y882-F949 HydrophobicContact CD2-CD1 4.02Å; Y882-F949 AromaticContact CD2-CE1 3.78Å; Y882-F949 HydrophobicContact CD2-CE1 3.78Å; Y882-F949 HydrophobicContact CE2-CE1 4.38Å; Y882-F949 HydrophobicContact CG-CD1 4.22Å; Y882-F949 AromaticContact CG-CE1 3.62Å; Y882-F949 HydrophobicContact CG-CE1 3.62Å; M895-F949 HydrophobicContact CB-CZ 4.27Å; M895-F949 HydrophobicContact CE-CE1 4.43Å; M895-F949 HydrophobicContact CE-CZ 3.95Å; I898-F949 HydrophobicContact CB-CE2 4.11Å; I898-F949 HydrophobicContact CG2-CD2 4.01Å; I898-F949 HydrophobicContact CG2-CE2 3.95Å; V899-F949 HydrophobicContact CG2-CB 4.34Å; V899-F949 HydrophobicContact CG2-CD1 3.78Å; V899-F949 HydrophobicContact CG2-CD2 3.42Å; V899-F949 VanDerWaalsContact CG2-CD2 3.42Å; V899-F949 HydrophobicContact CG2-CE1 3.84Å; V899-F949 HydrophobicContact CG2-CE2 3.5Å; V899-F949 VanDerWaalsContact CG2-CE2 3.5Å; V899-F949 HydrophobicContact CG2-CG 3.56Å; V899-F949 HydrophobicContact CG2-CZ 3.71Å; L902-F949 HydrophobicContact CD1-CB 3.71Å; L902-F949 HydrophobicContact CD1-CD2 4.16Å; L902-F949 HydrophobicContact CD1-CG 4.44Å; T945-F949 WeakPolarHBondContact O-CB 3.48Å; T945-F949 PolarHBondContact O-N 3.2Å; Y946-F949 PolarHBondContact O-N 3.44Å; T947-F949 VanDerWaalsContact C-N 3.29Å; T947-F949 PolarHBondContact O-N 3.41Å; F949-Y951 PolarHBondContact O-N 3.38Å; F949-L952 PolarHBondContact O-N 3.08Å; F949-M953 HydrophobicContact CD2-CG 3.88Å; F949-M953 HydrophobicContact CE1-CG 4.13Å; F949-M953 HydrophobicContact CE2-CG 3.4Å; F949-M953 VanDerWaalsContact CE2-CG 3.4Å; F949-M953 HydrophobicContact CE2-SD 3.74Å; F949-M953 HydrophobicContact CG-CG 4.42Å; F949-M953 HydrophobicContact CZ-CG 3.55Å; F949-M953 HydrophobicContact CZ-SD 4Å; F949-M953 WeakPolarHBondContact O-CB 3.46Å; F949-M953 VanDerWaalsContact O-CG 3.29Å; F949-M953 WeakPolarHBondContact O-CG 3.41Å; F949-M953 PolarHBondContact O-N 2.62Å
950	K	94.8	Very high	92.9	Very high	20 Å²	20	29.6 Å²	29.6	9%	0.087	15%	0.145	C	C	.	.	H	α-helix	trans	-56.9	-52.3	178.5	174.9	171.5	177.6	154.1	0	111.2	Y882 E885 Y886 Y946 T947 M953 E954	Y882-K950 HydrophobicContact CD2-CB 4.47Å; E885-K950 IonicContact OE1-NZ 3.86Å; E885-K950 PolarHBondContact OE1-NZ 2.89Å; E885-K950 IonicContact OE2-NZ 2.86Å; E885-K950 PolarHBondContact OE2-NZ 3.11Å; Y886-K950 WeakPolarHBondContact OH-CE 3.36Å; Y886-K950 PolarHBondContact OH-NZ 3.41Å; Y946-K950 HydrophobicContact CE1-CD 4.37Å; Y946-K950 VanDerWaalsContact O-CB 3.27Å; Y946-K950 WeakPolarHBondContact O-CB 3.4Å; Y946-K950 PolarHBondContact O-N 3.17Å; T947-K950 PolarHBondContact O-N 3.48Å; K950-M953 PolarHBondContact O-N 2.94Å; K950-E954 WeakPolarHBondContact CE-OE2 3.45Å; K950-E954 HydrophobicContact CG-CG 4.45Å; K950-E954 WeakPolarHBondContact CG-OE2 3.41Å; K950-E954 WeakPolarHBondContact O-CG 3.09Å; K950-E954 PolarHBondContact O-N 2.89Å
951	Y	94.7	Very high	92.9	Very high	52 Å²	52	26.3 Å²	26.3	20%	0.204	13%	0.127	C	C	.	.	H	α-helix	trans	-68.1	-37.6	-178.6	-81.5	-101.5	0	0	0	112.5	G760 V761 L778 T947 F949 M953 N955	G760-Y951 VanDerWaalsContact O-CE1 3.26Å; G760-Y951 WeakPolarHBondContact O-CE1 3.28Å; V761-Y951 HydrophobicContact CG1-CE2 4.23Å; V761-Y951 HydrophobicContact CG2-CD1 4.12Å; V761-Y951 HydrophobicContact CG2-CD2 3.84Å; V761-Y951 HydrophobicContact CG2-CE2 4.31Å; V761-Y951 HydrophobicContact CG2-CG 3.72Å; L778-Y951 HydrophobicContact CD2-CE2 4.45Å; T947-Y951 HydrophobicContact CG2-CD2 4.21Å; T947-Y951 HydrophobicContact CG2-CE2 4.27Å; T947-Y951 WeakPolarHBondContact O-CD2 3.38Å; T947-Y951 PolarHBondContact O-N 3.02Å; T947-Y951 VanDerWaalsContact O-N 3.15Å; F949-Y951 PolarHBondContact O-N 3.38Å; Y951-M953 VanDerWaalsContact C-N 3.33Å; Y951-M953 PolarHBondContact O-N 3.32Å; Y951-N955 VanDerWaalsContact O-CB 3.29Å; Y951-N955 WeakPolarHBondContact O-CB 3.41Å; Y951-N955 PolarHBondContact O-N 3.18Å
952	L	94.7	Very high	92.6	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-61	-42.2	172.5	177.9	61.5	0	0	0	111.9	L759 I898 L902 L948 F949 H956 L957 Y1011 W1025	L759-L952 HydrophobicContact CD1-CB 4.37Å; L759-L952 HydrophobicContact CD2-CB 4.06Å; L759-L952 HydrophobicContact CD2-CD1 3.86Å; I898-L952 HydrophobicContact CG2-CD2 3.63Å; I898-L952 HydrophobicContact CG2-CG 4.49Å; L902-L952 HydrophobicContact CD1-CD2 4.24Å; L948-L952 VanDerWaalsContact O-CB 3.24Å; L948-L952 WeakPolarHBondContact O-CB 3.36Å; L948-L952 PolarHBondContact O-N 3.16Å; F949-L952 PolarHBondContact O-N 3.08Å; L952-H956 HydrophobicContact CD1-CB 4.44Å; L952-H956 PolarHBondContact O-N 3.48Å; L952-L957 HydrophobicContact CD1-CD1 4.44Å; L952-L957 HydrophobicContact CD2-CD1 4.4Å; L952-L957 HydrophobicContact CG-CD1 4.04Å; L952-L957 PolarHBondContact O-N 2.92Å; L952-Y1011 HydrophobicContact CD1-CE1 4.33Å; L952-W1025 HydrophobicContact CD2-CE3 4.47Å; L952-W1025 HydrophobicContact CD2-CH2 4.47Å; L952-W1025 HydrophobicContact CD2-CZ3 4.18Å
953	M	92.8	Very high	91.9	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.015	15%	0.154	C	C	.	.	I	π-helix	trans	-64.7	-57.1	174.7	-72.6	-63.7	-59.2	0	0	111.3	Y882 M895 F949 K950 Y951 N955 L957 K958 F961	Y882-M953 HydrophobicContact CE2-CB 3.83Å; Y882-M953 HydrophobicContact CE2-CG 4.14Å; Y882-M953 WeakPolarHBondContact OH-CB 3.35Å; M895-M953 HydrophobicContact CE-CE 4.11Å; M895-M953 HydrophobicContact CG-CE 4.35Å; F949-M953 HydrophobicContact CD2-CG 3.88Å; F949-M953 HydrophobicContact CE1-CG 4.13Å; F949-M953 HydrophobicContact CE2-CG 3.4Å; F949-M953 VanDerWaalsContact CE2-CG 3.4Å; F949-M953 HydrophobicContact CE2-SD 3.74Å; F949-M953 HydrophobicContact CG-CG 4.42Å; F949-M953 HydrophobicContact CZ-CG 3.55Å; F949-M953 HydrophobicContact CZ-SD 4Å; F949-M953 WeakPolarHBondContact O-CB 3.46Å; F949-M953 VanDerWaalsContact O-CG 3.29Å; F949-M953 WeakPolarHBondContact O-CG 3.41Å; F949-M953 PolarHBondContact O-N 2.62Å; K950-M953 PolarHBondContact O-N 2.94Å; Y951-M953 VanDerWaalsContact C-N 3.33Å; Y951-M953 PolarHBondContact O-N 3.32Å; M953-N955 PolarHBondContact O-N 3.31Å; M953-L957 CarbonylContact O-C 3.51Å; M953-L957 PolarHBondContact O-N 2.67Å; M953-L957 VanDerWaalsContact O-N 3.15Å; M953-L957 HydrophobicContact SD-CB 4.03Å; M953-L957 HydrophobicContact SD-CD1 4.25Å; M953-K958 WeakPolarHBondContact O-CA 3.49Å; M953-K958 VanDerWaalsContact O-CB 3.26Å; M953-K958 WeakPolarHBondContact O-CB 2.92Å; M953-K958 PolarHBondContact O-N 3.43Å; M953-F961 HydrophobicContact CE-CB 3.99Å; M953-F961 HydrophobicContact CE-CD2 3.67Å; M953-F961 HydrophobicContact CE-CE2 4.32Å; M953-F961 HydrophobicContact CE-CG 3.85Å; M953-F961 HydrophobicContact SD-CD2 4.2Å; M953-F961 HydrophobicContact SD-CE2 4.29Å
954	E	91.3	Very high	91.3	Very high	73 Å²	73	40.8 Å²	40.8	34%	0.341	19%	0.194	S	C	.	.	I	π-helix	trans	-60.5	-44.6	-175.1	-71	-169.6	114.9	0	0	113.1	Y886 K950	Y886-E954 PolarHBondContact OH-OE1 3.07Å; Y886-E954 PolarHBondContact OH-OE2 3.07Å; K950-E954 WeakPolarHBondContact CE-OE2 3.45Å; K950-E954 HydrophobicContact CG-CG 4.45Å; K950-E954 WeakPolarHBondContact CG-OE2 3.41Å; K950-E954 WeakPolarHBondContact O-CG 3.09Å; K950-E954 PolarHBondContact O-N 2.89Å
955	N	89.8	Confident	91.1	Very high	88 Å²	88	42.1 Å²	42.1	47%	0.471	20%	0.198	S	C	.	.	I	π-helix	trans	-82.9	-36.6	-172.3	-67	-22.4	0	0	0	113.4	L759 Y951 M953	L759-N955 PolarHBondContact O-ND2 3.08Å; Y951-N955 VanDerWaalsContact O-CB 3.29Å; Y951-N955 WeakPolarHBondContact O-CB 3.41Å; Y951-N955 PolarHBondContact O-N 3.18Å; M953-N955 PolarHBondContact O-N 3.31Å
956	H	89.3	Confident	90.7	Very high	44 Å²	44	42.9 Å²	42.9	20%	0.204	21%	0.205	C	C	.	.	I	π-helix	trans	-120.3	-37.1	-170.3	-50.2	-81.5	0	0	0	114.5	L952 L1029 E1032	L952-H956 HydrophobicContact CD1-CB 4.44Å; L952-H956 PolarHBondContact O-N 3.48Å; H956-L1029 VanDerWaalsContact CE1-CD2 3.45Å; H956-L1029 WeakPolarHBondContact CE1-CD2 3.34Å; H956-L1029 VanDerWaalsContact NE2-CD2 3.32Å; H956-L1029 WeakPolarHBondContact NE2-CD2 3.38Å; H956-E1032 IonicContact CE1-OE2 3.12Å; H956-E1032 PolarHBondContact CE1-OE2 3.24Å; H956-E1032 VanDerWaalsContact CE1-OE2 3.23Å; H956-E1032 IonicContact ND1-OE2 2.83Å; H956-E1032 PolarHBondContact ND1-OE2 3.12Å
957	L	91.9	Very high	90.3	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	23%	0.233	C	C	.	.	I	π-helix	trans	-106.4	-19.8	-168.1	-60	178.8	0	0	0	115.8	I898 L952 M953 K959 L960 F961 Y1011	I898-L957 HydrophobicContact CD1-CD1 4.17Å; I898-L957 HydrophobicContact CG1-CD1 4.22Å; I898-L957 HydrophobicContact CG2-CD1 4.02Å; L952-L957 HydrophobicContact CD1-CD1 4.44Å; L952-L957 HydrophobicContact CD2-CD1 4.4Å; L952-L957 HydrophobicContact CG-CD1 4.04Å; L952-L957 PolarHBondContact O-N 2.92Å; M953-L957 CarbonylContact O-C 3.51Å; M953-L957 PolarHBondContact O-N 2.67Å; M953-L957 VanDerWaalsContact O-N 3.15Å; M953-L957 HydrophobicContact SD-CB 4.03Å; M953-L957 HydrophobicContact SD-CD1 4.25Å; L957-K959 PolarHBondContact O-N 2.98Å; L957-L960 HydrophobicContact CD2-CD1 4.31Å; L957-L960 WeakPolarHBondContact O-CB 3.32Å; L957-L960 PolarHBondContact O-N 3.39Å; L957-F961 HydrophobicContact CB-CD2 4.03Å; L957-F961 HydrophobicContact CB-CE2 3.99Å; L957-F961 HydrophobicContact CD1-CE2 4.3Å; L957-F961 PolarHBondContact O-N 3.02Å; L957-Y1011 HydrophobicContact CD2-CD1 4.45Å; L957-Y1011 HydrophobicContact CD2-CD2 3.85Å; L957-Y1011 HydrophobicContact CD2-CE2 4.27Å; L957-Y1011 HydrophobicContact CD2-CG 3.95Å
958	K	89.3	Confident	90.1	Very high	67 Å²	67	53.2 Å²	53.2	29%	0.291	26%	0.257	S	S	.	.	H	α-helix	trans	-49.2	-43.3	-170.5	177.7	164.4	-177.4	141.2	0	113.4	D889 M953 L960 F961 A962	D889-K958 IonicContact OD1-NZ 3.93Å; D889-K958 WeakPolarHBondContact OD2-CE 3.38Å; D889-K958 IonicContact OD2-NZ 3.67Å; D889-K958 PolarHBondContact OD2-NZ 2.95Å; M953-K958 WeakPolarHBondContact O-CA 3.49Å; M953-K958 VanDerWaalsContact O-CB 3.26Å; M953-K958 WeakPolarHBondContact O-CB 2.92Å; M953-K958 PolarHBondContact O-N 3.43Å; K958-L960 PolarHBondContact O-N 2.88Å; K958-F961 PolarHBondContact O-N 3.34Å; K958-F961 VanDerWaalsContact O-N 3.17Å; K958-A962 WeakPolarHBondContact O-CB 3.41Å; K958-A962 PolarHBondContact O-N 3.14Å
959	K	89.9	Confident	89.9	Confident	117 Å²	117	56.1 Å²	56.1	51%	0.509	27%	0.269	S	S	.	.	H	α-helix	trans	-59.5	-25.5	179.1	-71.6	169.1	176.6	176.9	0	114.9	L957 T965 A966 Y969	L957-K959 PolarHBondContact O-N 2.98Å; K959-T965 CarbonylContact O-C 3.57Å; K959-T965 PolarHBondContact O-OG1 3.24Å; K959-A966 WeakPolarHBondContact O-CA 3.39Å; K959-A966 PolarHBondContact O-N 3.39Å; K959-Y969 HydrophobicContact CB-CD2 3.67Å; K959-Y969 HydrophobicContact CB-CE2 3.77Å; K959-Y969 HydrophobicContact CB-CG 4.08Å; K959-Y969 HydrophobicContact CD-CE1 3.93Å; K959-Y969 HydrophobicContact CD-CE2 3.97Å; K959-Y969 HydrophobicContact CG-CD2 4.2Å; K959-Y969 HydrophobicContact CG-CE2 3.76Å
960	L	89.3	Confident	89.7	Confident	12 Å²	12	56.2 Å²	56.2	6%	0.063	27%	0.269	C	S	.	.	H	α-helix	trans	-91.5	-20.3	-179.7	-56.8	176.7	0	0	0	112.9	L957 K958 A966 M970 K973	L957-L960 HydrophobicContact CD2-CD1 4.31Å; L957-L960 WeakPolarHBondContact O-CB 3.32Å; L957-L960 PolarHBondContact O-N 3.39Å; K958-L960 PolarHBondContact O-N 2.88Å; L960-A966 VanDerWaalsContact O-CB 3.23Å; L960-A966 WeakPolarHBondContact O-CB 3.27Å; L960-M970 HydrophobicContact CD2-CG 4.26Å; L960-M970 HydrophobicContact CD2-SD 3.91Å; L960-K973 HydrophobicContact CD2-CD 4.25Å
961	F	88.5	Confident	89.5	Confident	8 Å²	8	58 Å²	58	4%	0.035	28%	0.28	C	S	.	.	H	α-helix	trans	-102.5	-27	-179.7	-73.7	-86.8	0	0	0	113.4	T892 M895 I898 M953 L957 K958 K963 L1009	T892-F961 HydrophobicContact CG2-CD1 3.65Å; T892-F961 HydrophobicContact CG2-CE1 4.32Å; T892-F961 PolarHBondContact OG1-O 3.14Å; T892-F961 VanDerWaalsContact OG1-O 3.11Å; M895-F961 HydrophobicContact CG-CD1 3.59Å; M895-F961 HydrophobicContact CG-CE1 3.64Å; M895-F961 HydrophobicContact CG-CG 4.29Å; M895-F961 HydrophobicContact CG-CZ 4.37Å; M895-F961 HydrophobicContact SD-CD1 4.33Å; I898-F961 HydrophobicContact CG1-CZ 4.29Å; M953-F961 HydrophobicContact CE-CB 3.99Å; M953-F961 HydrophobicContact CE-CD2 3.67Å; M953-F961 HydrophobicContact CE-CE2 4.32Å; M953-F961 HydrophobicContact CE-CG 3.85Å; M953-F961 HydrophobicContact SD-CD2 4.2Å; M953-F961 HydrophobicContact SD-CE2 4.29Å; L957-F961 HydrophobicContact CB-CD2 4.03Å; L957-F961 HydrophobicContact CB-CE2 3.99Å; L957-F961 HydrophobicContact CD1-CE2 4.3Å; L957-F961 PolarHBondContact O-N 3.02Å; K958-F961 PolarHBondContact O-N 3.34Å; K958-F961 VanDerWaalsContact O-N 3.17Å; F961-K963 PolarHBondContact O-N 3.26Å; F961-L1009 HydrophobicContact CD1-CD1 3.98Å; F961-L1009 HydrophobicContact CD2-CD1 4.44Å; F961-L1009 HydrophobicContact CE1-CD1 3.68Å; F961-L1009 HydrophobicContact CE1-CG 4.25Å; F961-L1009 HydrophobicContact CE2-CD1 4.18Å; F961-L1009 WeakPolarHBondContact CE2-O 3.41Å; F961-L1009 HydrophobicContact CG-CD1 4.36Å; F961-L1009 HydrophobicContact CZ-CD1 3.8Å; F961-L1009 HydrophobicContact CZ-CG 4.26Å; F961-L1009 WeakPolarHBondContact CZ-O 3.43Å
962	A	85.7	Confident	89.3	Confident	10 Å²	10	58.5 Å²	58.5	8%	0.083	28%	0.284	C	S	.	.	S	Bend	trans	-71.1	122.4	179	0	0	0	0	0	112.1	K958 E964 T965 A966	K958-A962 WeakPolarHBondContact O-CB 3.41Å; K958-A962 PolarHBondContact O-N 3.14Å; A962-E964 VanDerWaalsContact C-N 3.28Å; A962-E964 PolarHBondContact O-N 3.05Å; A962-E964 VanDerWaalsContact O-N 3.12Å; A962-T965 PolarHBondContact O-N 3.48Å; A962-T965 PolarHBondContact O-OG1 3.11Å; A962-A966 WeakPolarHBondContact O-CB 3.27Å; A962-A966 PolarHBondContact O-N 3.25Å
963	K	79.8	Confident	89.2	Confident	138 Å²	138	59.3 Å²	59.3	60%	0.6	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-37.9	-172.4	-171.4	177.1	-169.1	163.1	0	115.5	E890 F961	E890-K963 VanDerWaalsContact CD-NZ 3.27Å; E890-K963 IonicContact OE1-NZ 2.89Å; E890-K963 PolarHBondContact OE1-NZ 3.12Å; E890-K963 VanDerWaalsContact OE1-NZ 3.13Å; E890-K963 IonicContact OE2-NZ 2.69Å; E890-K963 PolarHBondContact OE2-NZ 3.04Å; F961-K963 PolarHBondContact O-N 3.26Å
964	E	82.7	Confident	89.1	Confident	190 Å²	190	59.3 Å²	59.3	89%	0.888	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-26.7	-178.5	-58.7	-171.4	158.7	0	0	113.3	A962	A962-E964 VanDerWaalsContact C-N 3.28Å; A962-E964 PolarHBondContact O-N 3.05Å; A962-E964 VanDerWaalsContact O-N 3.12Å
965	T	88.9	Confident	89	Confident	45 Å²	45	60 Å²	60	28%	0.276	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-21.7	-169.4	67.2	0	0	0	0	114.1	K959 A962 T967 F968 Y969	K959-T965 CarbonylContact O-C 3.57Å; K959-T965 PolarHBondContact O-OG1 3.24Å; A962-T965 PolarHBondContact O-N 3.48Å; A962-T965 PolarHBondContact O-OG1 3.11Å; T965-T967 PolarHBondContact O-N 3.26Å; T965-F968 PolarHBondContact O-N 3.11Å; T965-F968 VanDerWaalsContact O-N 3.14Å; T965-Y969 HydrophobicContact CG2-CE2 4.34Å; T965-Y969 WeakPolarHBondContact O-CD2 3.32Å; T965-Y969 PolarHBondContact O-N 2.94Å
966	A	87.8	Confident	89.1	Confident	16 Å²	16	58.3 Å²	58.3	13%	0.132	28%	0.281	C	S	.	.	H	α-helix	trans	-52.3	-50.4	-173.7	0	0	0	0	0	113	K959 L960 A962 F968 Y969 M970	K959-A966 WeakPolarHBondContact O-CA 3.39Å; K959-A966 PolarHBondContact O-N 3.39Å; L960-A966 VanDerWaalsContact O-CB 3.23Å; L960-A966 WeakPolarHBondContact O-CB 3.27Å; A962-A966 WeakPolarHBondContact O-CB 3.27Å; A962-A966 PolarHBondContact O-N 3.25Å; A966-F968 PolarHBondContact O-N 3.19Å; A966-Y969 PolarHBondContact O-N 3.03Å; A966-M970 WeakPolarHBondContact O-CB 3.38Å; A966-M970 WeakPolarHBondContact O-CG 3.25Å; A966-M970 PolarHBondContact O-N 2.9Å
967	T	88.3	Confident	89.2	Confident	98 Å²	98	56.2 Å²	56.2	60%	0.601	27%	0.271	S	S	*	.	H	α-helix	trans	-59.4	-48.1	178.6	-53.4	0	0	0	0	111.6	T965 Y969 M970 D971	T965-T967 PolarHBondContact O-N 3.26Å; T967-Y969 PolarHBondContact O-N 2.91Å; T967-M970 PolarHBondContact O-N 3.35Å; T967-D971 WeakPolarHBondContact CG2-OD2 3.44Å; T967-D971 WeakPolarHBondContact O-CB 3.46Å; T967-D971 VanDerWaalsContact O-CG 3.31Å; T967-D971 PolarHBondContact O-N 3.31Å
968	F	91.2	Very high	89.1	Confident	130 Å²	130	58.9 Å²	58.9	57%	0.57	28%	0.282	S	S	*	.	H	α-helix	trans	-61.6	-45.7	-179	175.1	-95.7	0	0	0	112.8	T965 A966 Q972	T965-F968 PolarHBondContact O-N 3.11Å; T965-F968 VanDerWaalsContact O-N 3.14Å; A966-F968 PolarHBondContact O-N 3.19Å; F968-Q972 VanDerWaalsContact O-CB 3.27Å; F968-Q972 WeakPolarHBondContact O-CB 3.41Å; F968-Q972 PolarHBondContact O-N 2.93Å
969	Y	90.9	Very high	89.1	Confident	65 Å²	65	56.5 Å²	56.5	26%	0.255	27%	0.274	S	S	.	.	H	α-helix	trans	-72.2	-31.4	179.1	-77.3	-75.3	0	0	0	112.9	K959 T965 A966 T967 K973	K959-Y969 HydrophobicContact CB-CD2 3.67Å; K959-Y969 HydrophobicContact CB-CE2 3.77Å; K959-Y969 HydrophobicContact CB-CG 4.08Å; K959-Y969 HydrophobicContact CD-CE1 3.93Å; K959-Y969 HydrophobicContact CD-CE2 3.97Å; K959-Y969 HydrophobicContact CG-CD2 4.2Å; K959-Y969 HydrophobicContact CG-CE2 3.76Å; T965-Y969 HydrophobicContact CG2-CE2 4.34Å; T965-Y969 WeakPolarHBondContact O-CD2 3.32Å; T965-Y969 PolarHBondContact O-N 2.94Å; A966-Y969 PolarHBondContact O-N 3.03Å; T967-Y969 PolarHBondContact O-N 2.91Å; Y969-K973 WeakPolarHBondContact O-CG 3.23Å; Y969-K973 PolarHBondContact O-N 3.46Å
970	M	91.3	Very high	89.1	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-70.2	-45.9	174	-70.8	-67.8	-81.3	0	0	111.6	L960 A966 T967 Q972 K973 F974 Y1005 F1008 L1009	L960-M970 HydrophobicContact CD2-CG 4.26Å; L960-M970 HydrophobicContact CD2-SD 3.91Å; A966-M970 WeakPolarHBondContact O-CB 3.38Å; A966-M970 WeakPolarHBondContact O-CG 3.25Å; A966-M970 PolarHBondContact O-N 2.9Å; T967-M970 PolarHBondContact O-N 3.35Å; M970-Q972 VanDerWaalsContact C-N 3.31Å; M970-Q972 PolarHBondContact O-N 2.94Å; M970-K973 WeakPolarHBondContact O-CB 3.42Å; M970-K973 PolarHBondContact O-N 3.4Å; M970-K973 VanDerWaalsContact O-N 3.13Å; M970-F974 HydrophobicContact CB-CE2 4.24Å; M970-F974 HydrophobicContact CE-CZ 4.12Å; M970-F974 VanDerWaalsContact O-CD2 3.24Å; M970-F974 WeakPolarHBondContact O-CD2 3.4Å; M970-F974 VanDerWaalsContact O-CG 3.28Å; M970-F974 WeakPolarHBondContact O-CG 3.42Å; M970-F974 PolarHBondContact O-N 3.09Å; M970-Y1005 HydrophobicContact CE-CD1 4.22Å; M970-Y1005 HydrophobicContact CE-CD2 3.32Å; M970-Y1005 HydrophobicContact CE-CE1 4.45Å; M970-Y1005 HydrophobicContact CE-CE2 3.58Å; M970-Y1005 HydrophobicContact CE-CG 3.65Å; M970-Y1005 WeakPolarHBondContact CE-O 3.4Å; M970-Y1005 HydrophobicContact CG-CE2 4.39Å; M970-F1008 HydrophobicContact CE-CB 4.05Å; M970-F1008 HydrophobicContact SD-CB 3.8Å; M970-L1009 HydrophobicContact CE-CB 4.22Å
971	D	91.4	Very high	89.2	Confident	58 Å²	58	50.3 Å²	50.3	31%	0.31	25%	0.247	S	C	.	.	H	α-helix	trans	-60.9	-41.2	174.9	-70.4	-23	0	0	0	111.2	T967 K973 F974 D975	T967-D971 WeakPolarHBondContact CG2-OD2 3.44Å; T967-D971 WeakPolarHBondContact O-CB 3.46Å; T967-D971 VanDerWaalsContact O-CG 3.31Å; T967-D971 PolarHBondContact O-N 3.31Å; D971-K973 PolarHBondContact O-N 3.21Å; D971-F974 WeakPolarHBondContact O-CB 3.39Å; D971-F974 PolarHBondContact O-N 3.04Å; D971-F974 VanDerWaalsContact O-N 3.15Å; D971-D975 PolarHBondContact O-N 3.12Å
972	Q	91	Very high	89.2	Confident	62 Å²	62	55.3 Å²	55.3	29%	0.29	27%	0.27	S	S	.	.	H	α-helix	trans	-59.6	-42.9	172.6	174.2	172.6	90.6	0	0	112.6	F968 M970 F974 D975 Y976	F968-Q972 VanDerWaalsContact O-CB 3.27Å; F968-Q972 WeakPolarHBondContact O-CB 3.41Å; F968-Q972 PolarHBondContact O-N 2.93Å; M970-Q972 VanDerWaalsContact C-N 3.31Å; M970-Q972 PolarHBondContact O-N 2.94Å; Q972-F974 VanDerWaalsContact C-N 3.32Å; Q972-F974 PolarHBondContact O-N 2.84Å; Q972-D975 PolarHBondContact O-N 3.34Å; Q972-Y976 HydrophobicContact CG-CD2 3.86Å; Q972-Y976 HydrophobicContact CG-CE2 3.34Å; Q972-Y976 VanDerWaalsContact O-CD2 3.25Å; Q972-Y976 WeakPolarHBondContact O-CD2 2.98Å; Q972-Y976 PolarHBondContact O-N 3.36Å
973	K	92	Very high	89.2	Confident	18 Å²	18	56 Å²	56	8%	0.078	27%	0.272	C	S	.	.	H	α-helix	trans	-62.5	-39	174	-77.8	178.6	174.1	-71.4	0	111.7	L960 Y969 M970 D971 Y976 I977 F1008 D1038 S1040 L1041	L960-K973 HydrophobicContact CD2-CD 4.25Å; Y969-K973 WeakPolarHBondContact O-CG 3.23Å; Y969-K973 PolarHBondContact O-N 3.46Å; M970-K973 WeakPolarHBondContact O-CB 3.42Å; M970-K973 PolarHBondContact O-N 3.4Å; M970-K973 VanDerWaalsContact O-N 3.13Å; D971-K973 PolarHBondContact O-N 3.21Å; K973-Y976 PolarHBondContact O-N 3.22Å; K973-I977 WeakPolarHBondContact O-CG1 3.12Å; K973-I977 PolarHBondContact O-N 3.22Å; K973-F1008 HydrophobicContact CB-CD2 4.1Å; K973-F1008 HydrophobicContact CB-CE2 4.12Å; K973-F1008 HydrophobicContact CB-CG 4.5Å; K973-F1008 HydrophobicContact CD-CB 3.79Å; K973-F1008 HydrophobicContact CD-CD1 3.83Å; K973-F1008 HydrophobicContact CD-CD2 4.07Å; K973-F1008 HydrophobicContact CD-CE1 4.42Å; K973-F1008 HydrophobicContact CD-CG 3.64Å; K973-D1038 IonicContact NZ-OD1 3.36Å; K973-D1038 PolarHBondContact NZ-OD1 3.13Å; K973-D1038 IonicContact NZ-OD2 3.03Å; K973-D1038 PolarHBondContact NZ-OD2 3.49Å; K973-S1040 PolarHBondContact NZ-OG 2.99Å; K973-L1041 HydrophobicContact CB-CD2 4.16Å; K973-L1041 HydrophobicContact CG-CD2 4.2Å
974	F	91.6	Very high	89.6	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-42.8	176	-61.3	-33.9	0	0	0	112.5	M970 D971 Q972 Y976 I977 K978 H1000 F1001 Y1002 C1004 Y1005 F1008	M970-F974 HydrophobicContact CB-CE2 4.24Å; M970-F974 HydrophobicContact CE-CZ 4.12Å; M970-F974 VanDerWaalsContact O-CD2 3.24Å; M970-F974 WeakPolarHBondContact O-CD2 3.4Å; M970-F974 VanDerWaalsContact O-CG 3.28Å; M970-F974 WeakPolarHBondContact O-CG 3.42Å; M970-F974 PolarHBondContact O-N 3.09Å; D971-F974 WeakPolarHBondContact O-CB 3.39Å; D971-F974 PolarHBondContact O-N 3.04Å; D971-F974 VanDerWaalsContact O-N 3.15Å; Q972-F974 VanDerWaalsContact C-N 3.32Å; Q972-F974 PolarHBondContact O-N 2.84Å; F974-Y976 VanDerWaalsContact C-N 3.34Å; F974-Y976 PolarHBondContact O-N 3.47Å; F974-I977 PolarHBondContact O-N 2.73Å; F974-K978 VanDerWaalsContact O-CB 3.29Å; F974-K978 WeakPolarHBondContact O-CB 3.4Å; F974-K978 PolarHBondContact O-N 2.74Å; F974-H1000 WeakPolarHBondContact CD2-O 3.47Å; F974-H1000 VanDerWaalsContact CG-O 3.25Å; F974-H1000 WeakPolarHBondContact CG-O 3.45Å; F974-F1001 HydrophobicContact CB-CB 4.02Å; F974-F1001 HydrophobicContact CD1-CB 3.8Å; F974-F1001 HydrophobicContact CG-CB 4.05Å; F974-Y1002 HydrophobicContact CD2-CD1 4.4Å; F974-Y1002 HydrophobicContact CD2-CE1 4.35Å; F974-Y1002 AromaticContact CE2-CD1 3.67Å; F974-Y1002 HydrophobicContact CE2-CD1 3.67Å; F974-Y1002 AromaticContact CE2-CE1 3.82Å; F974-Y1002 HydrophobicContact CE2-CE1 3.82Å; F974-Y1002 HydrophobicContact CZ-CD1 4.17Å; F974-C1004 HydrophobicContact CD1-CB 4.5Å; F974-C1004 HydrophobicContact CE1-CB 4.08Å; F974-Y1005 HydrophobicContact CE2-CD2 4.38Å; F974-Y1005 AromaticContact CZ-CD2 3.95Å; F974-Y1005 HydrophobicContact CZ-CD2 3.95Å; F974-Y1005 HydrophobicContact CZ-CG 4.44Å; F974-F1008 HydrophobicContact CD1-CD2 4.48Å; F974-F1008 HydrophobicContact CD1-CE2 4.33Å; F974-F1008 HydrophobicContact CE1-CD2 4.06Å; F974-F1008 HydrophobicContact CE1-CE2 4.3Å
975	D	89.3	Confident	89.8	Confident	87 Å²	87	41.4 Å²	41.4	47%	0.465	21%	0.206	S	C	.	.	H	α-helix	trans	-64.3	-35.8	174.5	-82.5	-26.3	0	0	0	112.5	D971 Q972 S979	D971-D975 PolarHBondContact O-N 3.12Å; Q972-D975 PolarHBondContact O-N 3.34Å; D975-S979 VanDerWaalsContact O-CB 3.31Å; D975-S979 WeakPolarHBondContact O-CB 3.36Å; D975-S979 PolarHBondContact O-N 2.87Å; D975-S979 PolarHBondContact O-OG 3.46Å
976	Y	91.5	Very high	89.6	Confident	53 Å²	53	42 Å²	42	21%	0.208	21%	0.211	C	C	.	.	H	α-helix	trans	-67.7	-43.3	173	-68.6	-40.4	0	0	0	112.8	L696 Q972 K973 F974 K978 S979 L980 L1041	L696-Y976 HydrophobicContact CD1-CD1 4.27Å; L696-Y976 HydrophobicContact CD1-CG 4.43Å; L696-Y976 HydrophobicContact CD2-CD1 3.77Å; L696-Y976 HydrophobicContact CD2-CD2 3.81Å; L696-Y976 HydrophobicContact CD2-CE1 3.95Å; L696-Y976 HydrophobicContact CD2-CE2 3.98Å; L696-Y976 HydrophobicContact CD2-CG 3.71Å; L696-Y976 HydrophobicContact CG-CD1 4.38Å; Q972-Y976 HydrophobicContact CG-CD2 3.86Å; Q972-Y976 HydrophobicContact CG-CE2 3.34Å; Q972-Y976 VanDerWaalsContact O-CD2 3.25Å; Q972-Y976 WeakPolarHBondContact O-CD2 2.98Å; Q972-Y976 PolarHBondContact O-N 3.36Å; K973-Y976 PolarHBondContact O-N 3.22Å; F974-Y976 VanDerWaalsContact C-N 3.34Å; F974-Y976 PolarHBondContact O-N 3.47Å; Y976-K978 PolarHBondContact O-N 3.14Å; Y976-S979 PolarHBondContact O-N 3.01Å; Y976-L980 WeakPolarHBondContact O-CB 3.5Å; Y976-L980 VanDerWaalsContact O-CG 3.31Å; Y976-L980 WeakPolarHBondContact O-CG 3.43Å; Y976-L980 PolarHBondContact O-N 3.01Å; Y976-L1041 HydrophobicContact CD2-CD1 3.96Å; Y976-L1041 HydrophobicContact CG-CD1 4.27Å
977	I	91.7	Very high	89.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-43	174.7	-69	-63.8	0	0	0	111.3	K973 F974 S979 L980 I981 F1001 F1008 L1041 A1044 I1048	K973-I977 WeakPolarHBondContact O-CG1 3.12Å; K973-I977 PolarHBondContact O-N 3.22Å; F974-I977 PolarHBondContact O-N 2.73Å; I977-S979 VanDerWaalsContact C-N 3.33Å; I977-S979 PolarHBondContact O-N 3.39Å; I977-L980 HydrophobicContact CD1-CD1 4.43Å; I977-L980 PolarHBondContact O-N 3.48Å; I977-I981 HydrophobicContact CG2-CD1 3.68Å; I977-I981 HydrophobicContact CG2-CG1 4.48Å; I977-I981 WeakPolarHBondContact O-CG1 3.37Å; I977-I981 PolarHBondContact O-N 3Å; I977-F1001 HydrophobicContact CG2-CD1 3.63Å; I977-F1001 HydrophobicContact CG2-CE1 3.41Å; I977-F1001 VanDerWaalsContact CG2-CE1 3.41Å; I977-F1001 HydrophobicContact CG2-CG 4.34Å; I977-F1001 HydrophobicContact CG2-CZ 3.95Å; I977-F1008 HydrophobicContact CD1-CZ 4Å; I977-F1008 HydrophobicContact CG1-CE2 4.09Å; I977-F1008 HydrophobicContact CG1-CZ 3.7Å; I977-L1041 HydrophobicContact CD1-CB 4.16Å; I977-L1041 HydrophobicContact CD1-CD2 3.9Å; I977-L1041 VanDerWaalsContact CD1-O 3.22Å; I977-L1041 WeakPolarHBondContact CD1-O 3.33Å; I977-L1041 HydrophobicContact CG1-CD2 3.88Å; I977-A1044 HydrophobicContact CD1-CB 3.79Å; I977-I1048 HydrophobicContact CG2-CD1 4.22Å
978	K	89.1	Confident	89.4	Confident	57 Å²	57	42.5 Å²	42.5	25%	0.248	20%	0.204	C	C	.	.	H	α-helix	trans	-56	-47.9	173.9	-174.5	171.4	-177.6	178.8	0	111.8	F974 Y976 Q982 T999 F1001	F974-K978 VanDerWaalsContact O-CB 3.29Å; F974-K978 WeakPolarHBondContact O-CB 3.4Å; F974-K978 PolarHBondContact O-N 2.74Å; Y976-K978 PolarHBondContact O-N 3.14Å; K978-Q982 VanDerWaalsContact O-CB 3.23Å; K978-Q982 WeakPolarHBondContact O-CB 3.2Å; K978-Q982 PolarHBondContact O-N 3.26Å; K978-T999 PolarHBondContact NZ-O 3.22Å; K978-T999 VanDerWaalsContact NZ-O 3.14Å; K978-F1001 VanDerWaalsContact CA-CE2 3.43Å; K978-F1001 HydrophobicContact CB-CD2 3.99Å; K978-F1001 HydrophobicContact CB-CE2 3.41Å; K978-F1001 VanDerWaalsContact CB-CE2 3.41Å; K978-F1001 HydrophobicContact CB-CZ 4.18Å; K978-F1001 HydrophobicContact CD-CE2 4.33Å; K978-F1001 HydrophobicContact CG-CE2 3.8Å
979	S	88.7	Confident	89	Confident	16 Å²	16	36.8 Å²	36.8	11%	0.112	18%	0.179	C	C	.	.	H	α-helix	trans	-63.4	-45.5	178	-59.4	0	0	0	0	112.2	D975 Y976 I977 Q982 I983	D975-S979 VanDerWaalsContact O-CB 3.31Å; D975-S979 WeakPolarHBondContact O-CB 3.36Å; D975-S979 PolarHBondContact O-N 2.87Å; D975-S979 PolarHBondContact O-OG 3.46Å; Y976-S979 PolarHBondContact O-N 3.01Å; I977-S979 VanDerWaalsContact C-N 3.33Å; I977-S979 PolarHBondContact O-N 3.39Å; S979-Q982 PolarHBondContact O-N 3.33Å; S979-I983 WeakPolarHBondContact O-CB 3.49Å; S979-I983 WeakPolarHBondContact O-CD1 3.45Å; S979-I983 VanDerWaalsContact O-CG1 3.31Å; S979-I983 WeakPolarHBondContact O-CG1 3.37Å; S979-I983 PolarHBondContact O-N 2.9Å; S979-I983 VanDerWaalsContact O-N 3.12Å
980	L	91.4	Very high	88.6	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.3	-48.6	177.2	-76.9	167.6	0	0	0	111.6	L693 L696 Y976 I977 I983 L984 L1041 F1042 L1045 V1092	L693-L980 HydrophobicContact CD2-CD2 3.9Å; L693-L980 HydrophobicContact CD2-CG 4.37Å; L696-L980 HydrophobicContact CD1-CD1 4.14Å; L696-L980 HydrophobicContact CD1-CD2 4.07Å; L696-L980 HydrophobicContact CD1-CG 4.02Å; Y976-L980 WeakPolarHBondContact O-CB 3.5Å; Y976-L980 VanDerWaalsContact O-CG 3.31Å; Y976-L980 WeakPolarHBondContact O-CG 3.43Å; Y976-L980 PolarHBondContact O-N 3.01Å; I977-L980 HydrophobicContact CD1-CD1 4.43Å; I977-L980 PolarHBondContact O-N 3.48Å; L980-I983 PolarHBondContact O-N 3.07Å; L980-L984 HydrophobicContact CD2-CD1 4.17Å; L980-L984 VanDerWaalsContact O-CB 3.25Å; L980-L984 WeakPolarHBondContact O-CB 3.47Å; L980-L984 VanDerWaalsContact O-CG 3.3Å; L980-L984 WeakPolarHBondContact O-CG 3.38Å; L980-L984 PolarHBondContact O-N 3.18Å; L980-L1041 HydrophobicContact CD1-CB 4.11Å; L980-F1042 HydrophobicContact CD2-CE1 4.12Å; L980-L1045 HydrophobicContact CB-CD1 4.44Å; L980-L1045 HydrophobicContact CB-CD2 4.32Å; L980-V1092 HydrophobicContact CD2-CG2 3.88Å
981	I	90.1	Very high	88	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67.5	-41.1	179.3	-67.6	166.5	0	0	0	111	I977 I983 L984 D985 L988 I989 F1001 L1045 I1048	I977-I981 HydrophobicContact CG2-CD1 3.68Å; I977-I981 HydrophobicContact CG2-CG1 4.48Å; I977-I981 WeakPolarHBondContact O-CG1 3.37Å; I977-I981 PolarHBondContact O-N 3Å; I981-I983 PolarHBondContact O-N 2.89Å; I981-L984 PolarHBondContact O-N 3.49Å; I981-D985 CarbonylContact O-C 3.57Å; I981-D985 WeakPolarHBondContact O-CA 3.5Å; I981-D985 PolarHBondContact O-N 3.35Å; I981-L988 HydrophobicContact CG2-CB 4.37Å; I981-L988 HydrophobicContact CG2-CD2 4.13Å; I981-L988 HydrophobicContact CG2-CG 4.32Å; I981-I989 HydrophobicContact CG2-CB 4.29Å; I981-F1001 HydrophobicContact CD1-CE1 3.53Å; I981-F1001 HydrophobicContact CD1-CZ 3.75Å; I981-L1045 HydrophobicContact CD1-CD1 4.31Å; I981-L1045 HydrophobicContact CG1-CD1 3.43Å; I981-L1045 VanDerWaalsContact CG1-CD1 3.43Å; I981-I1048 HydrophobicContact CD1-CD1 3.78Å; I981-I1048 HydrophobicContact CD1-CG2 4.13Å
982	Q	87.9	Confident	87.4	Confident	113 Å²	113	33.9 Å²	33.9	53%	0.528	18%	0.175	S	C	.	.	H	α-helix	trans	-60.2	-33.4	177.9	-176.3	175.3	-1.3	0	0	112.8	K978 S979 I989	K978-Q982 VanDerWaalsContact O-CB 3.23Å; K978-Q982 WeakPolarHBondContact O-CB 3.2Å; K978-Q982 PolarHBondContact O-N 3.26Å; S979-Q982 PolarHBondContact O-N 3.33Å; Q982-I989 HydrophobicContact CB-CG1 4.41Å
983	I	86.7	Confident	86.8	Confident	24 Å²	24	36.9 Å²	36.9	12%	0.123	19%	0.189	C	C	.	.	H	α-helix	trans	-87.3	-40.3	-179.2	-66.3	165.2	0	0	0	111.9	V689 L692 L693 S979 L980 I981 L1095	V689-I983 HydrophobicContact CB-CD1 4.43Å; V689-I983 HydrophobicContact CG1-CD1 4.22Å; V689-I983 HydrophobicContact CG1-CG2 4.11Å; V689-I983 HydrophobicContact CG2-CD1 3.94Å; V689-I983 HydrophobicContact CG2-CG1 4.11Å; V689-I983 HydrophobicContact CG2-CG2 4.36Å; L692-I983 HydrophobicContact CD2-CD1 4.28Å; L693-I983 HydrophobicContact CD1-CD1 3.76Å; L693-I983 HydrophobicContact CD1-CG2 4.12Å; L693-I983 HydrophobicContact CD2-CD1 4.02Å; L693-I983 HydrophobicContact CG-CD1 3.84Å; S979-I983 WeakPolarHBondContact O-CB 3.49Å; S979-I983 WeakPolarHBondContact O-CD1 3.45Å; S979-I983 VanDerWaalsContact O-CG1 3.31Å; S979-I983 WeakPolarHBondContact O-CG1 3.37Å; S979-I983 PolarHBondContact O-N 2.9Å; S979-I983 VanDerWaalsContact O-N 3.12Å; L980-I983 PolarHBondContact O-N 3.07Å; I981-I983 PolarHBondContact O-N 2.89Å; I983-L1095 HydrophobicContact CG2-CD1 4.38Å
984	L	87.7	Confident	86.1	Confident	10 Å²	10	43.1 Å²	43.1	5%	0.052	22%	0.217	C	C	.	.	H	α-helix	trans	-90.6	-30.8	-173.2	-62.1	170.1	0	0	0	113.5	L980 I981 L1045 F1088 I1091 V1092 L1095	L980-L984 HydrophobicContact CD2-CD1 4.17Å; L980-L984 VanDerWaalsContact O-CB 3.25Å; L980-L984 WeakPolarHBondContact O-CB 3.47Å; L980-L984 VanDerWaalsContact O-CG 3.3Å; L980-L984 WeakPolarHBondContact O-CG 3.38Å; L980-L984 PolarHBondContact O-N 3.18Å; I981-L984 PolarHBondContact O-N 3.49Å; L984-L1045 HydrophobicContact CD1-CD2 3.53Å; L984-F1088 HydrophobicContact CB-CE1 4.48Å; L984-F1088 HydrophobicContact CD1-CD1 3.97Å; L984-F1088 HydrophobicContact CD1-CE1 4.34Å; L984-I1091 HydrophobicContact CD2-CG2 3.65Å; L984-V1092 HydrophobicContact CD1-CG2 4.21Å; L984-L1095 HydrophobicContact CD2-CD1 4.28Å
985	D	87	Confident	84.9	Confident	11 Å²	11	46 Å²	46	6%	0.059	23%	0.229	C	C	.	.			trans	-139.9	75.5	177.3	-156.9	-39.4	0	0	0	112.4	I981 Q987 L988 I989 Q1049 R1052	I981-D985 CarbonylContact O-C 3.57Å; I981-D985 WeakPolarHBondContact O-CA 3.5Å; I981-D985 PolarHBondContact O-N 3.35Å; D985-Q987 PolarHBondContact O-N 2.9Å; D985-Q987 VanDerWaalsContact O-N 3.08Å; D985-Q987 PolarHBondContact OD1-N 3.2Å; D985-L988 HydrophobicContact CB-CB 3.98Å; D985-L988 PolarHBondContact O-N 3.15Å; D985-L988 VanDerWaalsContact O-N 3.1Å; D985-L988 PolarHBondContact OD1-N 3.32Å; D985-I989 PolarHBondContact O-N 3.35Å; D985-Q1049 PolarHBondContact OD2-NE2 2.79Å; D985-Q1049 PolarHBondContact OD2-OE1 3.44Å; D985-R1052 IonicContact OD1-CZ 3.36Å; D985-R1052 IonicContact OD1-NE 2.95Å; D985-R1052 IonicContact OD1-NH2 3.34Å; D985-R1052 PolarHBondContact OD1-NH2 3.09Å; D985-R1052 IonicContact OD2-CZ 2.65Å; D985-R1052 IonicContact OD2-NE 3.34Å; D985-R1052 PolarHBondContact OD2-NE 3.05Å; D985-R1052 IonicContact OD2-NH2 2.62Å; D985-R1052 PolarHBondContact OD2-NH2 2.81Å
986	P	86	Confident	83.6	Confident	57 Å²	57	43.5 Å²	43.5	37%	0.37	22%	0.219	S	C	.	.	H	α-helix	trans	-64.9	-11.9	179.2	26.2	-35.3	0	0	0	113.9	I989 G990	P986-I989 WeakPolarHBondContact O-CG2 3.46Å; P986-G990 PolarHBondContact O-N 3.36Å
987	Q	85.3	Confident	82.4	Confident	125 Å²	125	47.8 Å²	47.8	58%	0.584	25%	0.245	S	C	*	.	H	α-helix	trans	-81.1	-41.1	172.7	-68.5	178	0.5	0	0	111.2	D985 G990 H991	D985-Q987 PolarHBondContact O-N 2.9Å; D985-Q987 VanDerWaalsContact O-N 3.08Å; D985-Q987 PolarHBondContact OD1-N 3.2Å; Q987-G990 PolarHBondContact O-N 3.46Å; Q987-H991 WeakPolarHBondContact O-CB 3.37Å; Q987-H991 PolarHBondContact O-N 3.37Å
988	L	85.6	Confident	81.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.4	-42.6	176.4	-178.1	62.3	0	0	0	111.4	I981 D985 G990 H991 L992 I1048 R1052 I1055	I981-L988 HydrophobicContact CG2-CB 4.37Å; I981-L988 HydrophobicContact CG2-CD2 4.13Å; I981-L988 HydrophobicContact CG2-CG 4.32Å; D985-L988 HydrophobicContact CB-CB 3.98Å; D985-L988 PolarHBondContact O-N 3.15Å; D985-L988 VanDerWaalsContact O-N 3.1Å; D985-L988 PolarHBondContact OD1-N 3.32Å; L988-G990 VanDerWaalsContact C-N 3.34Å; L988-G990 PolarHBondContact O-N 2.81Å; L988-H991 WeakPolarHBondContact O-CB 3.39Å; L988-H991 PolarHBondContact O-N 2.95Å; L988-L992 HydrophobicContact CD1-CD1 3.79Å; L988-L992 HydrophobicContact CD1-CG 4.16Å; L988-L992 HydrophobicContact CD2-CD1 4.41Å; L988-L992 HydrophobicContact CG-CD1 3.72Å; L988-L992 HydrophobicContact CG-CG 4.46Å; L988-L992 VanDerWaalsContact O-CG 3.28Å; L988-L992 WeakPolarHBondContact O-CG 3.28Å; L988-L992 PolarHBondContact O-N 3.45Å; L988-I1048 HydrophobicContact CD2-CG2 3.52Å; L988-R1052 HydrophobicContact CB-CG 4.36Å; L988-R1052 HydrophobicContact CD1-CG 4.13Å; L988-R1052 HydrophobicContact CD2-CB 4.46Å; L988-R1052 HydrophobicContact CD2-CG 3.99Å; L988-R1052 HydrophobicContact CG-CG 4.38Å; L988-I1055 HydrophobicContact CD1-CG2 4.27Å
989	I	83	Confident	79.7	Confident	11 Å²	11	48.8 Å²	48.8	6%	0.056	26%	0.255	C	S	.	.	H	α-helix	trans	-61.9	-42.1	175.3	-164.6	64.1	0	0	0	111.5	I981 Q982 D985 P986 H991 L992 Q993 F998	I981-I989 HydrophobicContact CG2-CB 4.29Å; Q982-I989 HydrophobicContact CB-CG1 4.41Å; D985-I989 PolarHBondContact O-N 3.35Å; P986-I989 WeakPolarHBondContact O-CG2 3.46Å; I989-H991 VanDerWaalsContact C-N 3.32Å; I989-H991 PolarHBondContact O-N 3.08Å; I989-L992 PolarHBondContact O-N 3.14Å; I989-Q993 WeakPolarHBondContact O-CB 3.23Å; I989-Q993 VanDerWaalsContact O-CG 3.27Å; I989-Q993 WeakPolarHBondContact O-CG 3.45Å; I989-Q993 PolarHBondContact O-N 3.45Å; I989-F998 HydrophobicContact CD1-CD1 3.53Å; I989-F998 HydrophobicContact CD1-CE1 3.43Å; I989-F998 VanDerWaalsContact CD1-CE1 3.43Å
990	G	82.1	Confident	78.7	Confident	34 Å²	34	52.3 Å²	52.3	35%	0.351	27%	0.27	S	S	.	.	H	α-helix	trans	-68.7	-29	177.4	0	0	0	0	0	113.5	P986 Q987 L988 K994	P986-G990 PolarHBondContact O-N 3.36Å; Q987-G990 PolarHBondContact O-N 3.46Å; L988-G990 VanDerWaalsContact C-N 3.34Å; L988-G990 PolarHBondContact O-N 2.81Å; G990-K994 WeakPolarHBondContact O-CB 3.18Å; G990-K994 PolarHBondContact O-N 2.92Å
991	H	78.3	Confident	78.4	Confident	24 Å²	24	52.5 Å²	52.5	11%	0.111	27%	0.27	C	S	.	.	H	α-helix	trans	-65.9	-52	168.9	-176.4	95	0	0	0	110.8	Q987 L988 I989 Q993 K994 F995 I1055 S1056 H1059	Q987-H991 WeakPolarHBondContact O-CB 3.37Å; Q987-H991 PolarHBondContact O-N 3.37Å; L988-H991 WeakPolarHBondContact O-CB 3.39Å; L988-H991 PolarHBondContact O-N 2.95Å; I989-H991 VanDerWaalsContact C-N 3.32Å; I989-H991 PolarHBondContact O-N 3.08Å; H991-Q993 PolarHBondContact O-N 3.32Å; H991-K994 WeakPolarHBondContact O-CB 3.4Å; H991-K994 PolarHBondContact O-N 3.47Å; H991-F995 AromaticContact CD2-CD2 3.9Å; H991-F995 AromaticContact CE1-CD2 3.73Å; H991-F995 AromaticContact CE1-CE2 3.42Å; H991-F995 VanDerWaalsContact CE1-CE2 3.42Å; H991-F995 WeakPolarHBondContact CE1-CE2 3.26Å; H991-F995 AromaticContact ND1-CE2 3.76Å; H991-F995 AromaticContact NE2-CD2 3.58Å; H991-F995 AromaticContact NE2-CE2 3.78Å; H991-F995 VanDerWaalsContact O-CD2 3.29Å; H991-F995 WeakPolarHBondContact O-CD2 3.38Å; H991-F995 PolarHBondContact O-N 3.28Å; H991-I1055 PolarHBondContact NE2-O 3.23Å; H991-S1056 PolarHBondContact CE1-O 3.36Å; H991-H1059 AromaticContact CE1-ND1 3.79Å
992	L	79.2	Confident	78.1	Confident	6 Å²	6	58.2 Å²	58.2	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-67.3	-37.3	-173.8	-66.3	167.1	0	0	0	112.1	L988 I989 K994 F995 S996 F998 I1055 I1065	L988-L992 HydrophobicContact CD1-CD1 3.79Å; L988-L992 HydrophobicContact CD1-CG 4.16Å; L988-L992 HydrophobicContact CD2-CD1 4.41Å; L988-L992 HydrophobicContact CG-CD1 3.72Å; L988-L992 HydrophobicContact CG-CG 4.46Å; L988-L992 VanDerWaalsContact O-CG 3.28Å; L988-L992 WeakPolarHBondContact O-CG 3.28Å; L988-L992 PolarHBondContact O-N 3.45Å; I989-L992 PolarHBondContact O-N 3.14Å; L992-K994 PolarHBondContact O-N 2.88Å; L992-F995 PolarHBondContact O-N 2.64Å; L992-S996 PolarHBondContact O-N 2.86Å; L992-F998 HydrophobicContact CB-CB 4.41Å; L992-F998 HydrophobicContact CB-CD1 3.86Å; L992-F998 HydrophobicContact CB-CD2 3.65Å; L992-F998 HydrophobicContact CB-CE1 3.9Å; L992-F998 HydrophobicContact CB-CE2 3.74Å; L992-F998 HydrophobicContact CB-CG 3.71Å; L992-F998 HydrophobicContact CB-CZ 3.86Å; L992-F998 HydrophobicContact CD1-CD2 4.4Å; L992-F998 HydrophobicContact CD1-CE1 3.82Å; L992-F998 HydrophobicContact CD1-CE2 3.59Å; L992-F998 HydrophobicContact CD1-CZ 3.24Å; L992-F998 HydrophobicContact CD2-CD2 4.5Å; L992-F998 HydrophobicContact CD2-CE2 4.12Å; L992-F998 HydrophobicContact CG-CD2 4.38Å; L992-F998 HydrophobicContact CG-CE1 4.47Å; L992-F998 HydrophobicContact CG-CE2 4Å; L992-F998 HydrophobicContact CG-CZ 4.05Å; L992-I1055 HydrophobicContact CD2-CG2 4.06Å; L992-I1065 HydrophobicContact CD2-CD1 3.35Å
993	Q	79.4	Confident	78.1	Confident	125 Å²	125	53.3 Å²	53.3	58%	0.584	27%	0.27	S	S	*	.	H	α-helix	trans	-63.6	-22.9	170.2	-73.6	174.6	-15.3	0	0	114.3	I989 H991	I989-Q993 WeakPolarHBondContact O-CB 3.23Å; I989-Q993 VanDerWaalsContact O-CG 3.27Å; I989-Q993 WeakPolarHBondContact O-CG 3.45Å; I989-Q993 PolarHBondContact O-N 3.45Å; H991-Q993 PolarHBondContact O-N 3.32Å
994	K	76.4	Confident	78.3	Confident	149 Å²	149	52.2 Å²	52.2	65%	0.648	26%	0.264	S	S	*	.	H	α-helix	trans	-83.3	-24.4	-178.4	-177.5	179.3	177.2	179.9	0	113.2	G990 H991 L992	G990-K994 WeakPolarHBondContact O-CB 3.18Å; G990-K994 PolarHBondContact O-N 2.92Å; H991-K994 WeakPolarHBondContact O-CB 3.4Å; H991-K994 PolarHBondContact O-N 3.47Å; L992-K994 PolarHBondContact O-N 2.88Å
995	F	66.6	Low	78.6	Confident	63 Å²	63	56.8 Å²	56.8	28%	0.276	28%	0.282	S	S	.	.	H	α-helix	trans	-116.3	-14	-172.7	-66.6	-71.5	0	0	0	113.8	H991 L992 H1059 E1061	H991-F995 AromaticContact CD2-CD2 3.9Å; H991-F995 AromaticContact CE1-CD2 3.73Å; H991-F995 AromaticContact CE1-CE2 3.42Å; H991-F995 VanDerWaalsContact CE1-CE2 3.42Å; H991-F995 WeakPolarHBondContact CE1-CE2 3.26Å; H991-F995 AromaticContact ND1-CE2 3.76Å; H991-F995 AromaticContact NE2-CD2 3.58Å; H991-F995 AromaticContact NE2-CE2 3.78Å; H991-F995 VanDerWaalsContact O-CD2 3.29Å; H991-F995 WeakPolarHBondContact O-CD2 3.38Å; H991-F995 PolarHBondContact O-N 3.28Å; L992-F995 PolarHBondContact O-N 2.64Å; F995-H1059 HydrophobicContact CE1-CB 4.03Å; F995-H1059 HydrophobicContact CE2-CB 4.03Å; F995-H1059 HydrophobicContact CZ-CB 3.73Å; F995-H1059 AromaticContact CZ-CG 3.82Å; F995-E1061 HydrophobicContact CB-CG 4.22Å
996	S	63	Low	78.8	Confident	36 Å²	36	59.5 Å²	59.5	25%	0.252	29%	0.291	S	S	.	.	S	Bend	trans	-153.4	158.7	-179.9	-153.8	0	0	0	0	113.5	L992 F998 L1062	L992-S996 PolarHBondContact O-N 2.86Å; S996-F998 PolarHBondContact O-N 3.11Å; S996-L1062 WeakPolarHBondContact OG-CB 3.12Å
997	D	64.8	Low	79.3	Confident	143 Å²	143	56.9 Å²	56.9	77%	0.765	27%	0.274	S	S	*	.			trans	-68.6	81.7	165.8	-81.8	-28.7	0	0	0	109.2	T999	D997-T999 PolarHBondContact O-N 2.87Å
998	F	65.9	Low	79.7	Confident	12 Å²	12	51 Å²	51	5%	0.053	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	30.2	-171.1	-161.1	-117.9	0	0	0	113.9	I989 L992 S996 H1000 F1001 F1003	I989-F998 HydrophobicContact CD1-CD1 3.53Å; I989-F998 HydrophobicContact CD1-CE1 3.43Å; I989-F998 VanDerWaalsContact CD1-CE1 3.43Å; L992-F998 HydrophobicContact CB-CB 4.41Å; L992-F998 HydrophobicContact CB-CD1 3.86Å; L992-F998 HydrophobicContact CB-CD2 3.65Å; L992-F998 HydrophobicContact CB-CE1 3.9Å; L992-F998 HydrophobicContact CB-CE2 3.74Å; L992-F998 HydrophobicContact CB-CG 3.71Å; L992-F998 HydrophobicContact CB-CZ 3.86Å; L992-F998 HydrophobicContact CD1-CD2 4.4Å; L992-F998 HydrophobicContact CD1-CE1 3.82Å; L992-F998 HydrophobicContact CD1-CE2 3.59Å; L992-F998 HydrophobicContact CD1-CZ 3.24Å; L992-F998 HydrophobicContact CD2-CD2 4.5Å; L992-F998 HydrophobicContact CD2-CE2 4.12Å; L992-F998 HydrophobicContact CG-CD2 4.38Å; L992-F998 HydrophobicContact CG-CE1 4.47Å; L992-F998 HydrophobicContact CG-CE2 4Å; L992-F998 HydrophobicContact CG-CZ 4.05Å; S996-F998 PolarHBondContact O-N 3.11Å; F998-H1000 PolarHBondContact O-N 3.27Å; F998-F1001 AromaticContact CD1-CE2 3.91Å; F998-F1001 HydrophobicContact CD1-CE2 3.91Å; F998-F1001 HydrophobicContact CD1-CZ 4.12Å; F998-F1001 HydrophobicContact CE1-CD2 4.18Å; F998-F1001 AromaticContact CE1-CE1 3.73Å; F998-F1001 HydrophobicContact CE1-CE1 3.73Å; F998-F1001 AromaticContact CE1-CE2 3.26Å; F998-F1001 HydrophobicContact CE1-CE2 3.26Å; F998-F1001 AromaticContact CE1-CZ 3.04Å; F998-F1001 HydrophobicContact CE1-CZ 3.04Å; F998-F1001 HydrophobicContact CE2-CD1 4.42Å; F998-F1001 HydrophobicContact CE2-CE1 4.15Å; F998-F1001 HydrophobicContact CE2-CE2 4.5Å; F998-F1001 HydrophobicContact CE2-CZ 4.24Å; F998-F1001 AromaticContact CZ-CD1 3.9Å; F998-F1001 HydrophobicContact CZ-CD1 3.9Å; F998-F1001 HydrophobicContact CZ-CD2 4.23Å; F998-F1001 AromaticContact CZ-CE1 3.23Å; F998-F1001 HydrophobicContact CZ-CE1 3.23Å; F998-F1001 AromaticContact CZ-CE2 3.6Å; F998-F1001 HydrophobicContact CZ-CE2 3.6Å; F998-F1001 HydrophobicContact CZ-CG 4.37Å; F998-F1001 AromaticContact CZ-CZ 3.11Å; F998-F1001 HydrophobicContact CZ-CZ 3.11Å; F998-F1003 HydrophobicContact CE2-CE1 4.14Å
999	T	59.1	Low	80.1	Confident	66 Å²	66	51.8 Å²	51.8	41%	0.405	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-28.9	-163.8	-49.5	0	0	0	0	112.6	K978 D997	K978-T999 PolarHBondContact NZ-O 3.22Å; K978-T999 VanDerWaalsContact NZ-O 3.14Å; D997-T999 PolarHBondContact O-N 2.87Å
1000	H	67.4	Low	80.6	Confident	90 Å²	90	52 Å²	52	42%	0.417	25%	0.251	S	S	.	.	S	Bend	trans	-133.9	-1.4	-161.8	-56.5	-67.3	0	0	0	118	F974 F998 Y1002	F974-H1000 WeakPolarHBondContact CD2-O 3.47Å; F974-H1000 VanDerWaalsContact CG-O 3.25Å; F974-H1000 WeakPolarHBondContact CG-O 3.45Å; F998-H1000 PolarHBondContact O-N 3.27Å; H1000-Y1002 HydrophobicContact CB-CD2 3.57Å; H1000-Y1002 HydrophobicContact CB-CE1 4.24Å; H1000-Y1002 HydrophobicContact CB-CE2 3.25Å; H1000-Y1002 HydrophobicContact CB-CG 4.18Å; H1000-Y1002 AromaticContact CD2-CE2 3.92Å; H1000-Y1002 AromaticContact CG-CE2 3.66Å; H1000-Y1002 AromaticContact CG-CZ 3.98Å; H1000-Y1002 PolarHBondContact O-N 3.17Å
1001	F	84	Confident	81.2	Confident	3 Å²	3	51.1 Å²	51.1	1%	0.013	24%	0.237	C	C	.	.			trans	53.6	20.9	174.7	-81.8	-94	0	0	0	117.8	F974 I977 K978 I981 F998 F1003 C1004 I1048	F974-F1001 HydrophobicContact CB-CB 4.02Å; F974-F1001 HydrophobicContact CD1-CB 3.8Å; F974-F1001 HydrophobicContact CG-CB 4.05Å; I977-F1001 HydrophobicContact CG2-CD1 3.63Å; I977-F1001 HydrophobicContact CG2-CE1 3.41Å; I977-F1001 VanDerWaalsContact CG2-CE1 3.41Å; I977-F1001 HydrophobicContact CG2-CG 4.34Å; I977-F1001 HydrophobicContact CG2-CZ 3.95Å; K978-F1001 VanDerWaalsContact CA-CE2 3.43Å; K978-F1001 HydrophobicContact CB-CD2 3.99Å; K978-F1001 HydrophobicContact CB-CE2 3.41Å; K978-F1001 VanDerWaalsContact CB-CE2 3.41Å; K978-F1001 HydrophobicContact CB-CZ 4.18Å; K978-F1001 HydrophobicContact CD-CE2 4.33Å; K978-F1001 HydrophobicContact CG-CE2 3.8Å; I981-F1001 HydrophobicContact CD1-CE1 3.53Å; I981-F1001 HydrophobicContact CD1-CZ 3.75Å; F998-F1001 AromaticContact CD1-CE2 3.91Å; F998-F1001 HydrophobicContact CD1-CE2 3.91Å; F998-F1001 HydrophobicContact CD1-CZ 4.12Å; F998-F1001 HydrophobicContact CE1-CD2 4.18Å; F998-F1001 AromaticContact CE1-CE1 3.73Å; F998-F1001 HydrophobicContact CE1-CE1 3.73Å; F998-F1001 AromaticContact CE1-CE2 3.26Å; F998-F1001 HydrophobicContact CE1-CE2 3.26Å; F998-F1001 AromaticContact CE1-CZ 3.04Å; F998-F1001 HydrophobicContact CE1-CZ 3.04Å; F998-F1001 HydrophobicContact CE2-CD1 4.42Å; F998-F1001 HydrophobicContact CE2-CE1 4.15Å; F998-F1001 HydrophobicContact CE2-CE2 4.5Å; F998-F1001 HydrophobicContact CE2-CZ 4.24Å; F998-F1001 AromaticContact CZ-CD1 3.9Å; F998-F1001 HydrophobicContact CZ-CD1 3.9Å; F998-F1001 HydrophobicContact CZ-CD2 4.23Å; F998-F1001 AromaticContact CZ-CE1 3.23Å; F998-F1001 HydrophobicContact CZ-CE1 3.23Å; F998-F1001 AromaticContact CZ-CE2 3.6Å; F998-F1001 HydrophobicContact CZ-CE2 3.6Å; F998-F1001 HydrophobicContact CZ-CG 4.37Å; F998-F1001 AromaticContact CZ-CZ 3.11Å; F998-F1001 HydrophobicContact CZ-CZ 3.11Å; F1001-F1003 AromaticContact CD1-CE1 3.6Å; F1001-F1003 HydrophobicContact CD1-CE1 3.6Å; F1001-F1003 AromaticContact CD1-CZ 3.96Å; F1001-F1003 HydrophobicContact CD1-CZ 3.96Å; F1001-F1003 HydrophobicContact CE1-CE1 4.22Å; F1001-F1003 HydrophobicContact CE1-CZ 4.33Å; F1001-F1003 HydrophobicContact CG-CE1 4.38Å; F1001-F1003 PolarHBondContact O-N 2.96Å; F1001-C1004 PolarHBondContact O-N 3.21Å; F1001-I1048 HydrophobicContact CE1-CD1 4.46Å
1002	Y	85.5	Confident	82.1	Confident	120 Å²	120	50 Å²	50	47%	0.471	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-56	-17.1	-171.8	-71.1	-54.5	0	0	0	116.2	F974 H1000 C1004 Y1005	F974-Y1002 HydrophobicContact CD2-CD1 4.4Å; F974-Y1002 HydrophobicContact CD2-CE1 4.35Å; F974-Y1002 AromaticContact CE2-CD1 3.67Å; F974-Y1002 HydrophobicContact CE2-CD1 3.67Å; F974-Y1002 AromaticContact CE2-CE1 3.82Å; F974-Y1002 HydrophobicContact CE2-CE1 3.82Å; F974-Y1002 HydrophobicContact CZ-CD1 4.17Å; H1000-Y1002 HydrophobicContact CB-CD2 3.57Å; H1000-Y1002 HydrophobicContact CB-CE1 4.24Å; H1000-Y1002 HydrophobicContact CB-CE2 3.25Å; H1000-Y1002 HydrophobicContact CB-CG 4.18Å; H1000-Y1002 AromaticContact CD2-CE2 3.92Å; H1000-Y1002 AromaticContact CG-CE2 3.66Å; H1000-Y1002 AromaticContact CG-CZ 3.98Å; H1000-Y1002 PolarHBondContact O-N 3.17Å; Y1002-C1004 PolarHBondContact O-N 3.5Å; Y1002-Y1005 WeakPolarHBondContact O-CB 3.35Å; Y1002-Y1005 PolarHBondContact O-N 3.4Å
1003	F	87.4	Confident	82.8	Confident	11 Å²	11	49.7 Å²	49.7	5%	0.048	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-61.5	-30	171.5	73.6	-83.1	0	0	0	113	F998 F1001 Y1005 W1007 I1048 L1062 I1065 L1066 F1069	F998-F1003 HydrophobicContact CE2-CE1 4.14Å; F1001-F1003 AromaticContact CD1-CE1 3.6Å; F1001-F1003 HydrophobicContact CD1-CE1 3.6Å; F1001-F1003 AromaticContact CD1-CZ 3.96Å; F1001-F1003 HydrophobicContact CD1-CZ 3.96Å; F1001-F1003 HydrophobicContact CE1-CE1 4.22Å; F1001-F1003 HydrophobicContact CE1-CZ 4.33Å; F1001-F1003 HydrophobicContact CG-CE1 4.38Å; F1001-F1003 PolarHBondContact O-N 2.96Å; F1003-Y1005 PolarHBondContact O-N 3.32Å; F1003-W1007 HydrophobicContact CD2-CH2 4.32Å; F1003-W1007 HydrophobicContact CD2-CZ2 4.49Å; F1003-W1007 AromaticContact CE2-CH2 3.93Å; F1003-W1007 HydrophobicContact CE2-CH2 3.93Å; F1003-W1007 HydrophobicContact CE2-CZ3 4.33Å; F1003-I1048 HydrophobicContact CE2-CD1 4.02Å; F1003-I1048 HydrophobicContact CE2-CG1 4.06Å; F1003-I1048 HydrophobicContact CZ-CD1 3.75Å; F1003-I1048 HydrophobicContact CZ-CG1 4.17Å; F1003-L1062 HydrophobicContact CB-CD1 4.15Å; F1003-L1062 HydrophobicContact CD1-CD1 3.49Å; F1003-L1062 VanDerWaalsContact CD1-CD1 3.49Å; F1003-L1062 HydrophobicContact CE1-CD1 4.3Å; F1003-L1062 HydrophobicContact CG-CD1 4.19Å; F1003-I1065 HydrophobicContact CD2-CG2 3.77Å; F1003-I1065 HydrophobicContact CE2-CG2 3.81Å; F1003-I1065 HydrophobicContact CG-CG2 4.17Å; F1003-I1065 HydrophobicContact CZ-CG2 4.25Å; F1003-L1066 HydrophobicContact CB-CB 4.13Å; F1003-L1066 HydrophobicContact CB-CD1 4.22Å; F1003-F1069 HydrophobicContact CD2-CD2 4.28Å; F1003-F1069 HydrophobicContact CE2-CD2 4.39Å; F1003-F1069 HydrophobicContact CE2-CE2 4.21Å
1004	C	91.7	Very high	83.5	Confident	0 Å²	0	47 Å²	47	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-77.2	-2.7	174	-59.4	0	0	0	0	113.8	F974 F1001 Y1002 R1006 W1007 F1008	F974-C1004 HydrophobicContact CD1-CB 4.5Å; F974-C1004 HydrophobicContact CE1-CB 4.08Å; F1001-C1004 PolarHBondContact O-N 3.21Å; Y1002-C1004 PolarHBondContact O-N 3.5Å; C1004-R1006 VanDerWaalsContact C-N 3.33Å; C1004-R1006 PolarHBondContact O-N 3.34Å; C1004-W1007 HydrophobicContact CB-CD2 4.3Å; C1004-W1007 HydrophobicContact CB-CE3 3.81Å; C1004-W1007 HydrophobicContact CB-CZ3 4.33Å; C1004-W1007 WeakPolarHBondContact O-CB 3.42Å; C1004-W1007 PolarHBondContact O-N 2.96Å; C1004-W1007 VanDerWaalsContact O-N 3.13Å; C1004-W1007 VanDerWaalsContact SG-CE3 3.52Å; C1004-W1007 WeakPolarHBondContact SG-CZ3 3.44Å; C1004-F1008 HydrophobicContact CB-CD2 4.23Å; C1004-F1008 HydrophobicContact CB-CE2 3.83Å; C1004-F1008 WeakPolarHBondContact O-CD2 3.5Å; C1004-F1008 PolarHBondContact O-N 3.17Å
1005	Y	92.2	Very high	84.3	Confident	107 Å²	107	39.9 Å²	39.9	42%	0.42	18%	0.184	S	C	.	.	H	α-helix	trans	-59.2	-42.7	-176.2	-174.9	-83.5	0	0	0	112	M970 F974 Y1002 F1003 W1007 L1009	M970-Y1005 HydrophobicContact CE-CD1 4.22Å; M970-Y1005 HydrophobicContact CE-CD2 3.32Å; M970-Y1005 HydrophobicContact CE-CE1 4.45Å; M970-Y1005 HydrophobicContact CE-CE2 3.58Å; M970-Y1005 HydrophobicContact CE-CG 3.65Å; M970-Y1005 WeakPolarHBondContact CE-O 3.4Å; M970-Y1005 HydrophobicContact CG-CE2 4.39Å; F974-Y1005 HydrophobicContact CE2-CD2 4.38Å; F974-Y1005 AromaticContact CZ-CD2 3.95Å; F974-Y1005 HydrophobicContact CZ-CD2 3.95Å; F974-Y1005 HydrophobicContact CZ-CG 4.44Å; Y1002-Y1005 WeakPolarHBondContact O-CB 3.35Å; Y1002-Y1005 PolarHBondContact O-N 3.4Å; F1003-Y1005 PolarHBondContact O-N 3.32Å; Y1005-W1007 VanDerWaalsContact C-N 3.28Å; Y1005-W1007 PolarHBondContact O-N 3.23Å; Y1005-L1009 HydrophobicContact CD1-CD2 4.4Å; Y1005-L1009 HydrophobicContact CE1-CB 4.33Å; Y1005-L1009 HydrophobicContact CE1-CD2 3.55Å; Y1005-L1009 WeakPolarHBondContact O-CB 3.4Å; Y1005-L1009 PolarHBondContact O-N 2.71Å; Y1005-L1009 VanDerWaalsContact O-N 3.12Å
1006	R	92.9	Very high	85.7	Confident	67 Å²	67	36.9 Å²	36.9	25%	0.253	17%	0.171	S	C	.	.	H	α-helix	trans	-60.7	-38	177.4	-170.2	175.8	75.1	-174.8	-1.8	112	C1004 L1010 R1014 E1015 F1069 N1070	C1004-R1006 VanDerWaalsContact C-N 3.33Å; C1004-R1006 PolarHBondContact O-N 3.34Å; R1006-L1010 HydrophobicContact CG-CD1 3.79Å; R1006-L1010 HydrophobicContact CG-CG 4.44Å; R1006-L1010 WeakPolarHBondContact O-CB 3.17Å; R1006-L1010 PolarHBondContact O-N 3.21Å; R1006-L1010 VanDerWaalsContact O-N 3.09Å; R1006-R1014 HydrophobicContact CG-CB 4.13Å; R1006-E1015 IonicContact CZ-OE1 3.59Å; R1006-E1015 VanDerWaalsContact CZ-OE1 3.29Å; R1006-E1015 IonicContact CZ-OE2 3.92Å; R1006-E1015 IonicContact NE-OE1 3.7Å; R1006-E1015 PolarHBondContact NE-OE1 3.22Å; R1006-E1015 IonicContact NE-OE2 3.96Å; R1006-E1015 VanDerWaalsContact NH2-CD 3.27Å; R1006-E1015 IonicContact NH2-OE1 2.66Å; R1006-E1015 PolarHBondContact NH2-OE1 3.03Å; R1006-E1015 VanDerWaalsContact NH2-OE1 3.14Å; R1006-E1015 IonicContact NH2-OE2 2.85Å; R1006-E1015 PolarHBondContact NH2-OE2 3.39Å; R1006-F1069 PolarHBondContact NH2-O 3.39Å; R1006-N1070 VanDerWaalsContact CZ-OD1 3.27Å; R1006-N1070 PolarHBondContact NH1-OD1 3.23Å
1007	W	95.2	Very high	87.1	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-64.2	-50.4	-177.1	-59.6	-8.8	0	0	0	112	F1003 C1004 Y1005 Y1011 F1012 E1015 A1044 L1047 I1048 F1069	F1003-W1007 HydrophobicContact CD2-CH2 4.32Å; F1003-W1007 HydrophobicContact CD2-CZ2 4.49Å; F1003-W1007 AromaticContact CE2-CH2 3.93Å; F1003-W1007 HydrophobicContact CE2-CH2 3.93Å; F1003-W1007 HydrophobicContact CE2-CZ3 4.33Å; C1004-W1007 HydrophobicContact CB-CD2 4.3Å; C1004-W1007 HydrophobicContact CB-CE3 3.81Å; C1004-W1007 HydrophobicContact CB-CZ3 4.33Å; C1004-W1007 WeakPolarHBondContact O-CB 3.42Å; C1004-W1007 PolarHBondContact O-N 2.96Å; C1004-W1007 VanDerWaalsContact O-N 3.13Å; C1004-W1007 VanDerWaalsContact SG-CE3 3.52Å; C1004-W1007 WeakPolarHBondContact SG-CZ3 3.44Å; Y1005-W1007 VanDerWaalsContact C-N 3.28Å; Y1005-W1007 PolarHBondContact O-N 3.23Å; W1007-Y1011 CarbonylContact O-C 3.45Å; W1007-Y1011 WeakPolarHBondContact O-CA 3.48Å; W1007-Y1011 PolarHBondContact O-N 3.4Å; W1007-Y1011 VanDerWaalsContact O-N 3.14Å; W1007-F1012 HydrophobicContact CB-CD1 3.82Å; W1007-F1012 HydrophobicContact CB-CE1 3.62Å; W1007-F1012 HydrophobicContact CB-CZ 4.34Å; W1007-F1012 HydrophobicContact CD2-CE1 4.27Å; W1007-F1012 HydrophobicContact CE3-CE1 4.3Å; W1007-F1012 HydrophobicContact CG-CD1 4.16Å; W1007-F1012 HydrophobicContact CG-CE1 4.04Å; W1007-F1012 PolarHBondContact O-N 3.48Å; W1007-E1015 VanDerWaalsContact CD1-OE1 3.28Å; W1007-E1015 VanDerWaalsContact CD1-OE2 3.31Å; W1007-E1015 HydrophobicContact CG-CG 4.33Å; W1007-E1015 PolarHBondContact NE1-OE2 3.44Å; W1007-A1044 HydrophobicContact CE3-CB 3.7Å; W1007-A1044 HydrophobicContact CZ3-CB 3.97Å; W1007-L1047 HydrophobicContact CD2-CD1 4.31Å; W1007-L1047 HydrophobicContact CE3-CD1 4.36Å; W1007-L1047 HydrophobicContact CH2-CB 3.91Å; W1007-L1047 HydrophobicContact CH2-CD1 4.32Å; W1007-L1047 HydrophobicContact CZ2-CB 4.42Å; W1007-L1047 HydrophobicContact CZ2-CD1 4.27Å; W1007-L1047 HydrophobicContact CZ3-CB 4.22Å; W1007-L1047 HydrophobicContact CZ3-CD1 4.36Å; W1007-I1048 HydrophobicContact CH2-CD1 4.46Å; W1007-I1048 HydrophobicContact CH2-CG1 3.88Å; W1007-I1048 HydrophobicContact CZ3-CD1 4.08Å; W1007-I1048 HydrophobicContact CZ3-CG1 3.92Å; W1007-F1069 HydrophobicContact CH2-CD1 4.28Å; W1007-F1069 HydrophobicContact CH2-CD2 4.22Å; W1007-F1069 HydrophobicContact CH2-CE1 4.06Å; W1007-F1069 AromaticContact CH2-CE2 4Å; W1007-F1069 HydrophobicContact CH2-CE2 4Å; W1007-F1069 HydrophobicContact CH2-CG 4.36Å; W1007-F1069 AromaticContact CH2-CZ 3.92Å; W1007-F1069 HydrophobicContact CH2-CZ 3.92Å; W1007-F1069 HydrophobicContact CZ2-CB 4.18Å; W1007-F1069 AromaticContact CZ2-CD1 3.64Å; W1007-F1069 HydrophobicContact CZ2-CD1 3.64Å; W1007-F1069 AromaticContact CZ2-CD2 3.87Å; W1007-F1069 HydrophobicContact CZ2-CD2 3.87Å; W1007-F1069 AromaticContact CZ2-CE1 3.87Å; W1007-F1069 HydrophobicContact CZ2-CE1 3.87Å; W1007-F1069 HydrophobicContact CZ2-CE2 4.1Å; W1007-F1069 AromaticContact CZ2-CG 3.64Å; W1007-F1069 HydrophobicContact CZ2-CG 3.64Å; W1007-F1069 HydrophobicContact CZ2-CZ 4.11Å
1008	F	94.5	Very high	88.4	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.009	14%	0.144	C	C	.	.	H	α-helix	trans	-76.1	-40.7	-177.1	-61.6	-54.4	0	0	0	112.7	M970 K973 F974 I977 C1004 Y1011 F1012 L1041 A1044	M970-F1008 HydrophobicContact CE-CB 4.05Å; M970-F1008 HydrophobicContact SD-CB 3.8Å; K973-F1008 HydrophobicContact CB-CD2 4.1Å; K973-F1008 HydrophobicContact CB-CE2 4.12Å; K973-F1008 HydrophobicContact CB-CG 4.5Å; K973-F1008 HydrophobicContact CD-CB 3.79Å; K973-F1008 HydrophobicContact CD-CD1 3.83Å; K973-F1008 HydrophobicContact CD-CD2 4.07Å; K973-F1008 HydrophobicContact CD-CE1 4.42Å; K973-F1008 HydrophobicContact CD-CG 3.64Å; F974-F1008 HydrophobicContact CD1-CD2 4.48Å; F974-F1008 HydrophobicContact CD1-CE2 4.33Å; F974-F1008 HydrophobicContact CE1-CD2 4.06Å; F974-F1008 HydrophobicContact CE1-CE2 4.3Å; I977-F1008 HydrophobicContact CD1-CZ 4Å; I977-F1008 HydrophobicContact CG1-CE2 4.09Å; I977-F1008 HydrophobicContact CG1-CZ 3.7Å; C1004-F1008 HydrophobicContact CB-CD2 4.23Å; C1004-F1008 HydrophobicContact CB-CE2 3.83Å; C1004-F1008 WeakPolarHBondContact O-CD2 3.5Å; C1004-F1008 PolarHBondContact O-N 3.17Å; F1008-Y1011 PolarHBondContact O-N 3.17Å; F1008-F1012 HydrophobicContact CE1-CZ 4.45Å; F1008-L1041 HydrophobicContact CE1-CD2 4.18Å; F1008-L1041 HydrophobicContact CZ-CD2 3.99Å; F1008-A1044 HydrophobicContact CE1-CB 3.85Å; F1008-A1044 HydrophobicContact CZ-CB 3.58Å
1009	L	93.1	Very high	89.6	Confident	16 Å²	16	35.9 Å²	35.9	8%	0.084	16%	0.159	C	C	.	.	H	α-helix	trans	-66	-42.6	180	-177.9	63.6	0	0	0	112.1	F961 M970 Y1005	F961-L1009 HydrophobicContact CD1-CD1 3.98Å; F961-L1009 HydrophobicContact CD2-CD1 4.44Å; F961-L1009 HydrophobicContact CE1-CD1 3.68Å; F961-L1009 HydrophobicContact CE1-CG 4.25Å; F961-L1009 HydrophobicContact CE2-CD1 4.18Å; F961-L1009 WeakPolarHBondContact CE2-O 3.41Å; F961-L1009 HydrophobicContact CG-CD1 4.36Å; F961-L1009 HydrophobicContact CZ-CD1 3.8Å; F961-L1009 HydrophobicContact CZ-CG 4.26Å; F961-L1009 WeakPolarHBondContact CZ-O 3.43Å; M970-L1009 HydrophobicContact CE-CB 4.22Å; Y1005-L1009 HydrophobicContact CD1-CD2 4.4Å; Y1005-L1009 HydrophobicContact CE1-CB 4.33Å; Y1005-L1009 HydrophobicContact CE1-CD2 3.55Å; Y1005-L1009 WeakPolarHBondContact O-CB 3.4Å; Y1005-L1009 PolarHBondContact O-N 2.71Å; Y1005-L1009 VanDerWaalsContact O-N 3.12Å
1010	L	94.1	Very high	91.2	Very high	15 Å²	15	34.8 Å²	34.8	8%	0.079	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	13	-177.6	-51.2	-177.7	0	0	0	112.9	G894 D897 I898 R1006 F1012 K1013 R1014	G894-L1010 VanDerWaalsContact CA-CD2 3.42Å; D897-L1010 HydrophobicContact CB-CD2 4.35Å; I898-L1010 WeakPolarHBondContact CD1-O 3.28Å; R1006-L1010 HydrophobicContact CG-CD1 3.79Å; R1006-L1010 HydrophobicContact CG-CG 4.44Å; R1006-L1010 WeakPolarHBondContact O-CB 3.17Å; R1006-L1010 PolarHBondContact O-N 3.21Å; R1006-L1010 VanDerWaalsContact O-N 3.09Å; L1010-F1012 PolarHBondContact O-N 2.93Å; L1010-K1013 VanDerWaalsContact O-CB 3.27Å; L1010-K1013 WeakPolarHBondContact O-CB 3.5Å; L1010-K1013 PolarHBondContact O-N 2.74Å; L1010-R1014 HydrophobicContact CD1-CB 4.14Å; L1010-R1014 HydrophobicContact CD1-CG 3.4Å
1011	Y	94.8	Very high	92.6	Very high	16 Å²	16	30.5 Å²	30.5	6%	0.063	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	46.9	179.5	-150.7	-138.5	0	0	0	112.8	L952 L957 W1007 F1008 K1013 W1025 I1028	L952-Y1011 HydrophobicContact CD1-CE1 4.33Å; L957-Y1011 HydrophobicContact CD2-CD1 4.45Å; L957-Y1011 HydrophobicContact CD2-CD2 3.85Å; L957-Y1011 HydrophobicContact CD2-CE2 4.27Å; L957-Y1011 HydrophobicContact CD2-CG 3.95Å; W1007-Y1011 CarbonylContact O-C 3.45Å; W1007-Y1011 WeakPolarHBondContact O-CA 3.48Å; W1007-Y1011 PolarHBondContact O-N 3.4Å; W1007-Y1011 VanDerWaalsContact O-N 3.14Å; F1008-Y1011 PolarHBondContact O-N 3.17Å; Y1011-K1013 PolarHBondContact O-N 3.29Å; Y1011-W1025 AromaticContact CD1-CD1 3.41Å; Y1011-W1025 VanDerWaalsContact CD1-CD1 3.41Å; Y1011-W1025 HydrophobicContact CD1-CD2 4.2Å; Y1011-W1025 AromaticContact CD1-CE2 3.79Å; Y1011-W1025 AromaticContact CD1-CG 4Å; Y1011-W1025 HydrophobicContact CD1-CG 4Å; Y1011-W1025 AromaticContact CD1-NE1 3.26Å; Y1011-W1025 VanDerWaalsContact CD1-NE1 3.26Å; Y1011-W1025 AromaticContact CE1-CD1 3.77Å; Y1011-W1025 HydrophobicContact CE1-CG 4.12Å; Y1011-W1025 AromaticContact CG-NE1 3.89Å; Y1011-W1025 PolarHBondContact O-NE1 3.42Å; Y1011-I1028 HydrophobicContact CD2-CD1 4.49Å; Y1011-I1028 HydrophobicContact CE1-CD1 4.3Å; Y1011-I1028 HydrophobicContact CE2-CD1 3.99Å; Y1011-I1028 HydrophobicContact CE2-CG2 4.17Å; Y1011-I1028 WeakPolarHBondContact OH-CG2 3.45Å
1012	F	96.2	Very high	93.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	6	-173.2	-57.1	-83.7	0	0	0	117.4	W1007 F1008 L1010 R1014 E1015 F1016 I1021 I1028 S1040 I1043 A1044 L1047	W1007-F1012 HydrophobicContact CB-CD1 3.82Å; W1007-F1012 HydrophobicContact CB-CE1 3.62Å; W1007-F1012 HydrophobicContact CB-CZ 4.34Å; W1007-F1012 HydrophobicContact CD2-CE1 4.27Å; W1007-F1012 HydrophobicContact CE3-CE1 4.3Å; W1007-F1012 HydrophobicContact CG-CD1 4.16Å; W1007-F1012 HydrophobicContact CG-CE1 4.04Å; W1007-F1012 PolarHBondContact O-N 3.48Å; F1008-F1012 HydrophobicContact CE1-CZ 4.45Å; L1010-F1012 PolarHBondContact O-N 2.93Å; F1012-R1014 VanDerWaalsContact C-N 3.25Å; F1012-R1014 PolarHBondContact O-N 3.14Å; F1012-R1014 VanDerWaalsContact O-N 3.13Å; F1012-E1015 HydrophobicContact CB-CG 4.39Å; F1012-E1015 HydrophobicContact CD1-CG 4.24Å; F1012-E1015 PolarHBondContact O-N 3.32Å; F1012-F1016 HydrophobicContact CB-CD2 3.94Å; F1012-F1016 HydrophobicContact CB-CE2 4.04Å; F1012-F1016 HydrophobicContact CD1-CE2 4.44Å; F1012-F1016 HydrophobicContact CG-CE2 4.49Å; F1012-I1021 HydrophobicContact CB-CD1 3.99Å; F1012-I1028 HydrophobicContact CD2-CD1 4.38Å; F1012-S1040 WeakPolarHBondContact CZ-O 3.37Å; F1012-I1043 HydrophobicContact CD1-CG2 4.17Å; F1012-I1043 HydrophobicContact CD2-CG2 4.24Å; F1012-I1043 HydrophobicContact CE1-CB 4.41Å; F1012-I1043 HydrophobicContact CE1-CG2 3.81Å; F1012-I1043 HydrophobicContact CE2-CB 3.99Å; F1012-I1043 HydrophobicContact CE2-CG2 3.88Å; F1012-I1043 HydrophobicContact CG-CG2 4.38Å; F1012-I1043 HydrophobicContact CZ-CB 3.82Å; F1012-I1043 HydrophobicContact CZ-CG2 3.68Å; F1012-A1044 HydrophobicContact CE1-CB 4.25Å; F1012-A1044 HydrophobicContact CZ-CB 4.06Å; F1012-L1047 HydrophobicContact CD1-CD1 3.92Å; F1012-L1047 HydrophobicContact CE1-CD1 3.8Å
1013	K	94.6	Very high	93.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-30.9	-173.8	175.9	56.4	-155.6	91.6	0	114.2	P901 L1010 Y1011 E1015 F1016 Y1018 I1021 W1025 E1074	P901-K1013 HydrophobicContact CG-CD 3.53Å; P901-K1013 HydrophobicContact CG-CG 3.99Å; L1010-K1013 VanDerWaalsContact O-CB 3.27Å; L1010-K1013 WeakPolarHBondContact O-CB 3.5Å; L1010-K1013 PolarHBondContact O-N 2.74Å; Y1011-K1013 PolarHBondContact O-N 3.29Å; K1013-E1015 VanDerWaalsContact C-N 3.26Å; K1013-E1015 PolarHBondContact O-N 2.98Å; K1013-F1016 PolarHBondContact NZ-O 3Å; K1013-Y1018 VanDerWaalsContact CE-CD1 3.46Å; K1013-I1021 HydrophobicContact CB-CG1 4.33Å; K1013-I1021 HydrophobicContact CD-CB 4.22Å; K1013-I1021 HydrophobicContact CD-CG1 4.01Å; K1013-I1021 HydrophobicContact CD-CG2 3.83Å; K1013-W1025 HydrophobicContact CB-CZ2 4.37Å; K1013-E1074 IonicContact NZ-OE1 3.77Å
1014	R	94	Very high	93.9	Very high	68 Å²	68	25.7 Å²	25.7	26%	0.257	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-1.7	176.4	-73.1	-69.5	178.8	-159.1	-6.6	114.3	D855 D897 R1006 L1010 F1012 A1073	D855-R1014 IonicContact OD1-CZ 3.58Å; D855-R1014 IonicContact OD1-NH1 2.98Å; D855-R1014 PolarHBondContact OD1-NH1 3.27Å; D855-R1014 IonicContact OD1-NH2 3.22Å; D855-R1014 PolarHBondContact OD1-NH2 3.03Å; D897-R1014 IonicContact OD1-CZ 3.02Å; D897-R1014 IonicContact OD1-NE 2.65Å; D897-R1014 PolarHBondContact OD1-NE 3.44Å; D897-R1014 IonicContact OD1-NH2 4Å; D897-R1014 PolarHBondContact OD1-NH2 3.44Å; R1006-R1014 HydrophobicContact CG-CB 4.13Å; L1010-R1014 HydrophobicContact CD1-CB 4.14Å; L1010-R1014 HydrophobicContact CD1-CG 3.4Å; F1012-R1014 VanDerWaalsContact C-N 3.25Å; F1012-R1014 PolarHBondContact O-N 3.14Å; F1012-R1014 VanDerWaalsContact O-N 3.13Å; R1014-A1073 WeakPolarHBondContact O-CB 3.2Å
1015	E	94.3	Very high	94.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-14	178.1	-34.2	-51.5	122.2	0	0	112.9	R1006 W1007 F1012 K1013 E1074 H1076	R1006-E1015 IonicContact CZ-OE1 3.59Å; R1006-E1015 VanDerWaalsContact CZ-OE1 3.29Å; R1006-E1015 IonicContact CZ-OE2 3.92Å; R1006-E1015 IonicContact NE-OE1 3.7Å; R1006-E1015 PolarHBondContact NE-OE1 3.22Å; R1006-E1015 IonicContact NE-OE2 3.96Å; R1006-E1015 VanDerWaalsContact NH2-CD 3.27Å; R1006-E1015 IonicContact NH2-OE1 2.66Å; R1006-E1015 PolarHBondContact NH2-OE1 3.03Å; R1006-E1015 VanDerWaalsContact NH2-OE1 3.14Å; R1006-E1015 IonicContact NH2-OE2 2.85Å; R1006-E1015 PolarHBondContact NH2-OE2 3.39Å; W1007-E1015 VanDerWaalsContact CD1-OE1 3.28Å; W1007-E1015 VanDerWaalsContact CD1-OE2 3.31Å; W1007-E1015 HydrophobicContact CG-CG 4.33Å; W1007-E1015 PolarHBondContact NE1-OE2 3.44Å; F1012-E1015 HydrophobicContact CB-CG 4.39Å; F1012-E1015 HydrophobicContact CD1-CG 4.24Å; F1012-E1015 PolarHBondContact O-N 3.32Å; K1013-E1015 VanDerWaalsContact C-N 3.26Å; K1013-E1015 PolarHBondContact O-N 2.98Å; E1015-E1074 WeakPolarHBondContact O-CA 3.33Å; E1015-E1074 PolarHBondContact O-N 3.38Å; E1015-H1076 PolarHBondContact O-CD2 3.13Å
1016	F	95.2	Very high	94.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-140.1	150.4	-170.8	-63.5	-83.4	0	0	0	113.9	F1012 K1013 D1020 I1021 I1024 L1047 H1076 V1078 I1081	F1012-F1016 HydrophobicContact CB-CD2 3.94Å; F1012-F1016 HydrophobicContact CB-CE2 4.04Å; F1012-F1016 HydrophobicContact CD1-CE2 4.44Å; F1012-F1016 HydrophobicContact CG-CE2 4.49Å; K1013-F1016 PolarHBondContact NZ-O 3Å; F1016-D1020 HydrophobicContact CB-CB 3.89Å; F1016-D1020 HydrophobicContact CD1-CB 4.26Å; F1016-D1020 HydrophobicContact CG-CB 4.5Å; F1016-I1021 HydrophobicContact CB-CB 4.3Å; F1016-I1021 HydrophobicContact CB-CD1 4.31Å; F1016-I1021 HydrophobicContact CD2-CD1 4.38Å; F1016-I1024 HydrophobicContact CB-CD1 4.19Å; F1016-I1024 HydrophobicContact CD1-CD1 3.54Å; F1016-I1024 HydrophobicContact CD2-CD1 3.31Å; F1016-I1024 HydrophobicContact CE1-CD1 3.58Å; F1016-I1024 HydrophobicContact CE2-CD1 3.38Å; F1016-I1024 HydrophobicContact CG-CD1 3.4Å; F1016-I1024 VanDerWaalsContact CG-CD1 3.4Å; F1016-I1024 HydrophobicContact CZ-CD1 3.51Å; F1016-L1047 HydrophobicContact CZ-CD2 4.18Å; F1016-H1076 HydrophobicContact CD1-CB 4.13Å; F1016-H1076 HydrophobicContact CE1-CB 3.49Å; F1016-H1076 VanDerWaalsContact CE1-CB 3.49Å; F1016-H1076 HydrophobicContact CZ-CB 4.03Å; F1016-V1078 HydrophobicContact CD1-CG2 3.71Å; F1016-V1078 HydrophobicContact CE1-CG2 3.9Å; F1016-I1081 HydrophobicContact CZ-CG2 4.47Å
1017	N	92.6	Very high	94.4	Very high	64 Å²	64	17.6 Å²	17.6	34%	0.342	8%	0.082	S	C	.	.			trans	-66.9	173.1	175.5	-58.7	-66.1	0	0	0	112.2	D1020 I1021 E1074	N1017-D1020 HydrophobicContact CB-CB 4.34Å; N1017-D1020 WeakPolarHBondContact CB-OD2 3.38Å; N1017-D1020 PolarHBondContact ND2-OD2 3.18Å; N1017-D1020 PolarHBondContact O-N 3.38Å; N1017-I1021 WeakPolarHBondContact O-CB 3.48Å; N1017-I1021 WeakPolarHBondContact O-CG2 3.13Å; N1017-I1021 PolarHBondContact O-N 3.1Å; N1017-E1074 PolarHBondContact ND2-O 3.3Å
1018	Y	91.7	Very high	94.4	Very high	25 Å²	25	17.8 Å²	17.8	10%	0.098	8%	0.083	C	C	.	.	H	α-helix	trans	-66.4	-43.1	-175.4	-81.1	31.9	0	0	0	112.7	D855 N858 Y861 A904 K1013 D1020 I1021 F1022	D855-Y1018 WeakPolarHBondContact CB-OH 3.49Å; D855-Y1018 VanDerWaalsContact OD2-CE1 3.31Å; D855-Y1018 WeakPolarHBondContact OD2-CE1 3.33Å; D855-Y1018 PolarHBondContact OD2-OH 3.34Å; N858-Y1018 WeakPolarHBondContact ND2-CD2 3.33Å; N858-Y1018 VanDerWaalsContact ND2-CE2 3.34Å; N858-Y1018 WeakPolarHBondContact ND2-CE2 3.39Å; Y861-Y1018 HydrophobicContact CE2-CE2 4.19Å; Y861-Y1018 WeakPolarHBondContact CE2-OH 3.21Å; A904-Y1018 HydrophobicContact CB-CD2 3.6Å; A904-Y1018 HydrophobicContact CB-CE2 3.52Å; K1013-Y1018 VanDerWaalsContact CE-CD1 3.46Å; Y1018-D1020 VanDerWaalsContact C-N 3.32Å; Y1018-D1020 PolarHBondContact O-N 3.09Å; Y1018-I1021 WeakPolarHBondContact O-CG2 3.4Å; Y1018-F1022 WeakPolarHBondContact O-CD2 3.24Å; Y1018-F1022 WeakPolarHBondContact O-CE2 3.46Å; Y1018-F1022 WeakPolarHBondContact O-CG 3.44Å; Y1018-F1022 PolarHBondContact O-N 3.21Å
1019	Q	90.7	Very high	94.4	Very high	81 Å²	81	17.8 Å²	17.8	38%	0.379	8%	0.083	S	C	.	.	H	α-helix	trans	-67.3	-36.6	177.3	-64.8	-61.6	-22.1	0	0	112.3	E908 Q1023	E908-Q1019 PolarHBondContact OE1-NE2 2.92Å; E908-Q1019 PolarHBondContact OE2-NE2 2.66Å; E908-Q1019 VanDerWaalsContact OE2-NE2 3.09Å; Q1019-Q1023 PolarHBondContact O-N 3.38Å
1020	D	94.2	Very high	94.4	Very high	43 Å²	43	17 Å²	17	23%	0.23	8%	0.079	C	C	.	.	H	α-helix	trans	-67.4	-47.7	179.1	-67.6	-25.5	0	0	0	112.3	F1016 N1017 Y1018 F1022 Q1023 I1024 V1078	F1016-D1020 HydrophobicContact CB-CB 3.89Å; F1016-D1020 HydrophobicContact CD1-CB 4.26Å; F1016-D1020 HydrophobicContact CG-CB 4.5Å; N1017-D1020 HydrophobicContact CB-CB 4.34Å; N1017-D1020 WeakPolarHBondContact CB-OD2 3.38Å; N1017-D1020 PolarHBondContact ND2-OD2 3.18Å; N1017-D1020 PolarHBondContact O-N 3.38Å; Y1018-D1020 VanDerWaalsContact C-N 3.32Å; Y1018-D1020 PolarHBondContact O-N 3.09Å; D1020-F1022 VanDerWaalsContact C-N 3.29Å; D1020-F1022 PolarHBondContact O-N 2.98Å; D1020-Q1023 PolarHBondContact O-N 3.13Å; D1020-I1024 WeakPolarHBondContact O-CG1 3.43Å; D1020-I1024 PolarHBondContact O-N 3.16Å; D1020-V1078 HydrophobicContact CB-CG2 3.39Å; D1020-V1078 VanDerWaalsContact CG-CG2 3.43Å; D1020-V1078 WeakPolarHBondContact OD1-CG2 3.4Å
1021	I	95.3	Very high	94.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-67.5	-31.5	-178.2	-162.3	63.8	0	0	0	111.9	P901 F1012 K1013 F1016 N1017 Y1018 I1024 W1025	P901-I1021 HydrophobicContact CB-CG2 4.47Å; F1012-I1021 HydrophobicContact CB-CD1 3.99Å; K1013-I1021 HydrophobicContact CB-CG1 4.33Å; K1013-I1021 HydrophobicContact CD-CB 4.22Å; K1013-I1021 HydrophobicContact CD-CG1 4.01Å; K1013-I1021 HydrophobicContact CD-CG2 3.83Å; F1016-I1021 HydrophobicContact CB-CB 4.3Å; F1016-I1021 HydrophobicContact CB-CD1 4.31Å; F1016-I1021 HydrophobicContact CD2-CD1 4.38Å; N1017-I1021 WeakPolarHBondContact O-CB 3.48Å; N1017-I1021 WeakPolarHBondContact O-CG2 3.13Å; N1017-I1021 PolarHBondContact O-N 3.1Å; Y1018-I1021 WeakPolarHBondContact O-CG2 3.4Å; I1021-I1024 HydrophobicContact CD1-CB 4.35Å; I1021-I1024 HydrophobicContact CD1-CG2 4.27Å; I1021-I1024 PolarHBondContact O-N 2.86Å; I1021-W1025 HydrophobicContact CG1-CD2 4.24Å; I1021-W1025 HydrophobicContact CG1-CG 4.42Å; I1021-W1025 HydrophobicContact CG1-CZ2 4.03Å; I1021-W1025 WeakPolarHBondContact O-CB 3.37Å; I1021-W1025 PolarHBondContact O-N 3.35Å
1022	F	94.8	Very high	94.2	Very high	1 Å²	1	18.8 Å²	18.8	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-61	-46.5	172.8	-61.5	-30.3	0	0	0	111.4	W755 P901 L905 Y1018 D1020 I1024 W1025 E1026	W755-F1022 HydrophobicContact CH2-CB 4.34Å; W755-F1022 AromaticContact CH2-CD1 3.67Å; W755-F1022 HydrophobicContact CH2-CD1 3.67Å; W755-F1022 HydrophobicContact CH2-CE1 4.42Å; W755-F1022 HydrophobicContact CH2-CG 4.32Å; W755-F1022 HydrophobicContact CZ2-CB 3.96Å; W755-F1022 HydrophobicContact CZ2-CD1 4.1Å; W755-F1022 HydrophobicContact CZ2-CG 4.29Å; P901-F1022 HydrophobicContact CB-CE1 3.7Å; P901-F1022 HydrophobicContact CB-CZ 4.42Å; P901-F1022 WeakPolarHBondContact O-CE1 3.42Å; P901-F1022 WeakPolarHBondContact O-CZ 3.32Å; L905-F1022 HydrophobicContact CB-CE1 3.93Å; L905-F1022 HydrophobicContact CB-CE2 4.3Å; L905-F1022 HydrophobicContact CB-CZ 3.69Å; L905-F1022 HydrophobicContact CD1-CD1 3.87Å; L905-F1022 HydrophobicContact CD1-CD2 4.35Å; L905-F1022 HydrophobicContact CD1-CE1 3.87Å; L905-F1022 HydrophobicContact CD1-CE2 4.37Å; L905-F1022 HydrophobicContact CD1-CG 4.11Å; L905-F1022 HydrophobicContact CD1-CZ 4.14Å; L905-F1022 HydrophobicContact CG-CZ 4.45Å; Y1018-F1022 WeakPolarHBondContact O-CD2 3.24Å; Y1018-F1022 WeakPolarHBondContact O-CE2 3.46Å; Y1018-F1022 WeakPolarHBondContact O-CG 3.44Å; Y1018-F1022 PolarHBondContact O-N 3.21Å; D1020-F1022 VanDerWaalsContact C-N 3.29Å; D1020-F1022 PolarHBondContact O-N 2.98Å; F1022-I1024 VanDerWaalsContact C-N 3.32Å; F1022-I1024 PolarHBondContact O-N 3.37Å; F1022-W1025 PolarHBondContact O-N 2.91Å; F1022-E1026 WeakPolarHBondContact O-CB 3.37Å; F1022-E1026 WeakPolarHBondContact O-CG 3.33Å; F1022-E1026 PolarHBondContact O-N 3.3Å
1023	Q	94.4	Very high	93.9	Very high	32 Å²	32	23.2 Å²	23.2	15%	0.15	11%	0.108	C	C	.	.	H	α-helix	trans	-63	-38.6	175.5	-174.7	-179.8	-10.1	0	0	111.7	Q1019 D1020 V1027 E1079 L1082	Q1019-Q1023 PolarHBondContact O-N 3.38Å; D1020-Q1023 PolarHBondContact O-N 3.13Å; Q1023-V1027 VanDerWaalsContact O-CG2 3.31Å; Q1023-V1027 WeakPolarHBondContact O-CG2 3.4Å; Q1023-V1027 PolarHBondContact O-N 3.45Å; Q1023-E1079 PolarHBondContact NE2-OE2 2.99Å; Q1023-L1082 HydrophobicContact CG-CD1 4.08Å
1024	I	95.9	Very high	93.5	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-65.9	-46.9	177.9	-72.8	167.8	0	0	0	111.6	F1016 D1020 I1021 F1022 V1027 I1028 I1043 V1078 L1082	F1016-I1024 HydrophobicContact CB-CD1 4.19Å; F1016-I1024 HydrophobicContact CD1-CD1 3.54Å; F1016-I1024 HydrophobicContact CD2-CD1 3.31Å; F1016-I1024 HydrophobicContact CE1-CD1 3.58Å; F1016-I1024 HydrophobicContact CE2-CD1 3.38Å; F1016-I1024 HydrophobicContact CG-CD1 3.4Å; F1016-I1024 VanDerWaalsContact CG-CD1 3.4Å; F1016-I1024 HydrophobicContact CZ-CD1 3.51Å; D1020-I1024 WeakPolarHBondContact O-CG1 3.43Å; D1020-I1024 PolarHBondContact O-N 3.16Å; I1021-I1024 HydrophobicContact CD1-CB 4.35Å; I1021-I1024 HydrophobicContact CD1-CG2 4.27Å; I1021-I1024 PolarHBondContact O-N 2.86Å; F1022-I1024 VanDerWaalsContact C-N 3.32Å; F1022-I1024 PolarHBondContact O-N 3.37Å; I1024-V1027 PolarHBondContact O-N 3.48Å; I1024-I1028 HydrophobicContact CG2-CD1 3.76Å; I1024-I1028 HydrophobicContact CG2-CG1 4.41Å; I1024-I1028 VanDerWaalsContact O-CG1 3.31Å; I1024-I1028 WeakPolarHBondContact O-CG1 3.45Å; I1024-I1028 PolarHBondContact O-N 3.49Å; I1024-I1043 HydrophobicContact CG2-CD1 4.02Å; I1024-V1078 HydrophobicContact CD1-CG1 4.2Å; I1024-V1078 HydrophobicContact CD1-CG2 4.33Å; I1024-V1078 HydrophobicContact CG1-CG1 3.93Å; I1024-L1082 HydrophobicContact CG1-CD2 4.31Å
1025	W	96.3	Very high	93.3	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.008	10%	0.1	C	C	.	.	H	α-helix	trans	-63.6	-44.2	177.9	-69.4	-1	0	0	0	111.5	W755 I898 P901 L902 L952 Y1011 K1013 I1021 F1022 V1027 I1028 L1029	W755-W1025 HydrophobicContact CH2-CB 4.46Å; W755-W1025 AromaticContact CH2-CE3 3.78Å; W755-W1025 HydrophobicContact CH2-CE3 3.78Å; W755-W1025 AromaticContact CZ3-CE3 3.91Å; W755-W1025 HydrophobicContact CZ3-CE3 3.91Å; W755-W1025 HydrophobicContact CZ3-CZ3 4.4Å; I898-W1025 HydrophobicContact CD1-CZ2 4.35Å; I898-W1025 HydrophobicContact CG2-CH2 4.4Å; P901-W1025 HydrophobicContact CB-CH2 3.97Å; P901-W1025 HydrophobicContact CB-CZ3 4.1Å; P901-W1025 HydrophobicContact CG-CH2 3.9Å; L902-W1025 HydrophobicContact CD2-CZ3 3.94Å; L902-W1025 HydrophobicContact CG-CZ3 4.21Å; L952-W1025 HydrophobicContact CD2-CE3 4.47Å; L952-W1025 HydrophobicContact CD2-CH2 4.47Å; L952-W1025 HydrophobicContact CD2-CZ3 4.18Å; Y1011-W1025 AromaticContact CD1-CD1 3.41Å; Y1011-W1025 VanDerWaalsContact CD1-CD1 3.41Å; Y1011-W1025 HydrophobicContact CD1-CD2 4.2Å; Y1011-W1025 AromaticContact CD1-CE2 3.79Å; Y1011-W1025 AromaticContact CD1-CG 4Å; Y1011-W1025 HydrophobicContact CD1-CG 4Å; Y1011-W1025 AromaticContact CD1-NE1 3.26Å; Y1011-W1025 VanDerWaalsContact CD1-NE1 3.26Å; Y1011-W1025 AromaticContact CE1-CD1 3.77Å; Y1011-W1025 HydrophobicContact CE1-CG 4.12Å; Y1011-W1025 AromaticContact CG-NE1 3.89Å; Y1011-W1025 PolarHBondContact O-NE1 3.42Å; K1013-W1025 HydrophobicContact CB-CZ2 4.37Å; I1021-W1025 HydrophobicContact CG1-CD2 4.24Å; I1021-W1025 HydrophobicContact CG1-CG 4.42Å; I1021-W1025 HydrophobicContact CG1-CZ2 4.03Å; I1021-W1025 WeakPolarHBondContact O-CB 3.37Å; I1021-W1025 PolarHBondContact O-N 3.35Å; F1022-W1025 PolarHBondContact O-N 2.91Å; W1025-V1027 VanDerWaalsContact C-N 3.29Å; W1025-V1027 PolarHBondContact O-N 3.26Å; W1025-I1028 PolarHBondContact O-N 2.66Å; W1025-L1029 WeakPolarHBondContact O-CB 3.25Å; W1025-L1029 WeakPolarHBondContact O-CG 3.15Å; W1025-L1029 PolarHBondContact O-N 2.92Å
1026	E	95.1	Very high	93.1	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-52.5	-46.3	172.3	-76.6	164.8	-165.3	0	0	112.1	I741 C746 R751 W755 F1022 C1030	I741-E1026 HydrophobicContact CG2-CB 3.81Å; C746-E1026 HydrophobicContact CB-CG 4.49Å; C746-E1026 WeakPolarHBondContact CB-OE2 3.47Å; C746-E1026 PolarHBondContact N-OE2 2.71Å; R751-E1026 VanDerWaalsContact CD-OE1 3.3Å; R751-E1026 WeakPolarHBondContact CD-OE1 3.44Å; R751-E1026 VanDerWaalsContact CG-OE1 3.28Å; R751-E1026 WeakPolarHBondContact CG-OE1 3.49Å; R751-E1026 IonicContact NE-OE1 3.79Å; R751-E1026 PolarHBondContact NE-OE1 3Å; W755-E1026 HydrophobicContact CZ2-CG 4.07Å; W755-E1026 PolarHBondContact NE1-OE1 3.29Å; W755-E1026 VanDerWaalsContact NE1-OE1 3.11Å; F1022-E1026 WeakPolarHBondContact O-CB 3.37Å; F1022-E1026 WeakPolarHBondContact O-CG 3.33Å; F1022-E1026 PolarHBondContact O-N 3.3Å; E1026-C1030 WeakPolarHBondContact O-CB 3.37Å; E1026-C1030 PolarHBondContact O-N 3.2Å; E1026-C1030 PolarHBondContact O-SG 2.85Å
1027	V	94.8	Very high	92.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-70.5	-40.1	180	171.5	0	0	0	0	112.3	Y742 Q1023 I1024 W1025 C1030 A1031 F1039 L1082	Y742-V1027 HydrophobicContact CD2-CG1 3.77Å; Y742-V1027 HydrophobicContact CE2-CG1 4.03Å; Q1023-V1027 VanDerWaalsContact O-CG2 3.31Å; Q1023-V1027 WeakPolarHBondContact O-CG2 3.4Å; Q1023-V1027 PolarHBondContact O-N 3.45Å; I1024-V1027 PolarHBondContact O-N 3.48Å; W1025-V1027 VanDerWaalsContact C-N 3.29Å; W1025-V1027 PolarHBondContact O-N 3.26Å; V1027-C1030 PolarHBondContact O-N 2.9Å; V1027-A1031 WeakPolarHBondContact O-CB 3.39Å; V1027-A1031 PolarHBondContact O-N 3.46Å; V1027-F1039 HydrophobicContact CG1-CD1 4.25Å; V1027-F1039 HydrophobicContact CG1-CE1 3.77Å; V1027-L1082 HydrophobicContact CB-CD2 4.32Å; V1027-L1082 HydrophobicContact CG1-CD2 4.02Å; V1027-L1082 HydrophobicContact CG2-CD1 4.12Å
1028	I	95.2	Very high	92.8	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.031	13%	0.127	C	C	.	.	H	α-helix	trans	-64.8	-45.8	177	-58.6	160.2	0	0	0	110.6	Y1011 F1012 I1024 W1025 C1030 A1031 E1032 F1039 I1043	Y1011-I1028 HydrophobicContact CD2-CD1 4.49Å; Y1011-I1028 HydrophobicContact CE1-CD1 4.3Å; Y1011-I1028 HydrophobicContact CE2-CD1 3.99Å; Y1011-I1028 HydrophobicContact CE2-CG2 4.17Å; Y1011-I1028 WeakPolarHBondContact OH-CG2 3.45Å; F1012-I1028 HydrophobicContact CD2-CD1 4.38Å; I1024-I1028 HydrophobicContact CG2-CD1 3.76Å; I1024-I1028 HydrophobicContact CG2-CG1 4.41Å; I1024-I1028 VanDerWaalsContact O-CG1 3.31Å; I1024-I1028 WeakPolarHBondContact O-CG1 3.45Å; I1024-I1028 PolarHBondContact O-N 3.49Å; W1025-I1028 PolarHBondContact O-N 2.66Å; I1028-C1030 VanDerWaalsContact C-N 3.34Å; I1028-C1030 PolarHBondContact O-N 3.18Å; I1028-A1031 PolarHBondContact O-N 2.88Å; I1028-E1032 PolarHBondContact O-N 3.47Å; I1028-F1039 HydrophobicContact CG1-CD1 4.3Å; I1028-F1039 HydrophobicContact CG2-CB 4.32Å; I1028-I1043 HydrophobicContact CD1-CD1 3.8Å; I1028-I1043 HydrophobicContact CG1-CD1 3.52Å
1029	L	94.1	Very high	93	Very high	3 Å²	3	26 Å²	26	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-60.5	-41.4	178.7	-67.4	169.7	0	0	0	111.8	L758 L759 H956 W1025 H1033	L758-L1029 HydrophobicContact CB-CB 4.48Å; L758-L1029 HydrophobicContact CB-CD1 4.18Å; L759-L1029 HydrophobicContact CD2-CD1 3.65Å; L759-L1029 HydrophobicContact CD2-CD2 3.84Å; L759-L1029 HydrophobicContact CD2-CG 4.43Å; L759-L1029 HydrophobicContact CG-CD1 4.36Å; H956-L1029 VanDerWaalsContact CE1-CD2 3.45Å; H956-L1029 WeakPolarHBondContact CE1-CD2 3.34Å; H956-L1029 VanDerWaalsContact NE2-CD2 3.32Å; H956-L1029 WeakPolarHBondContact NE2-CD2 3.38Å; W1025-L1029 WeakPolarHBondContact O-CB 3.25Å; W1025-L1029 WeakPolarHBondContact O-CG 3.15Å; W1025-L1029 PolarHBondContact O-N 2.92Å; L1029-H1033 PolarHBondContact O-CD2 3.43Å
1030	C	93.7	Very high	93.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-74	-34.5	176.4	-62.1	0	0	0	0	112.6	Y738 I741 E1026 V1027 I1028 E1032 H1033 I1034	Y738-C1030 HydrophobicContact CD1-CB 4.23Å; I741-C1030 VanDerWaalsContact CB-SG 3.59Å; I741-C1030 WeakPolarHBondContact CG2-SG 3.09Å; E1026-C1030 WeakPolarHBondContact O-CB 3.37Å; E1026-C1030 PolarHBondContact O-N 3.2Å; E1026-C1030 PolarHBondContact O-SG 2.85Å; V1027-C1030 PolarHBondContact O-N 2.9Å; I1028-C1030 VanDerWaalsContact C-N 3.34Å; I1028-C1030 PolarHBondContact O-N 3.18Å; C1030-E1032 VanDerWaalsContact C-N 3.26Å; C1030-E1032 PolarHBondContact O-N 2.92Å; C1030-H1033 PolarHBondContact O-N 2.98Å; C1030-I1034 WeakPolarHBondContact O-CD1 3.44Å; C1030-I1034 WeakPolarHBondContact O-CG1 3.47Å
1031	A	92.8	Very high	93.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.4	-29.4	179.5	0	0	0	0	0	113.2	Y742 V1027 I1028 H1033 I1034 V1035 S1036 F1039	Y742-A1031 HydrophobicContact CD2-CB 3.77Å; Y742-A1031 HydrophobicContact CE2-CB 3.6Å; V1027-A1031 WeakPolarHBondContact O-CB 3.39Å; V1027-A1031 PolarHBondContact O-N 3.46Å; I1028-A1031 PolarHBondContact O-N 2.88Å; A1031-H1033 PolarHBondContact O-N 3.4Å; A1031-I1034 PolarHBondContact O-N 3.29Å; A1031-V1035 PolarHBondContact O-N 3.37Å; A1031-S1036 CarbonylContact C-O 3.46Å; A1031-S1036 PolarHBondContact O-N 3.47Å; A1031-F1039 HydrophobicContact CB-CB 3.43Å; A1031-F1039 VanDerWaalsContact CB-CB 3.43Å; A1031-F1039 HydrophobicContact CB-CD1 3.93Å; A1031-F1039 HydrophobicContact CB-CD2 3.82Å; A1031-F1039 HydrophobicContact CB-CG 3.45Å; A1031-F1039 VanDerWaalsContact CB-CG 3.45Å
1032	E	91.7	Very high	93.2	Very high	67 Å²	67	20.1 Å²	20.1	31%	0.313	9%	0.094	S	C	.	.	H	α-helix	trans	-55.3	-29.5	174.6	-171	169.6	167.1	0	0	112.5	I698 H956 I1028 C1030 S1036	I698-E1032 WeakPolarHBondContact CD1-O 3.49Å; H956-E1032 IonicContact CE1-OE2 3.12Å; H956-E1032 PolarHBondContact CE1-OE2 3.24Å; H956-E1032 VanDerWaalsContact CE1-OE2 3.23Å; H956-E1032 IonicContact ND1-OE2 2.83Å; H956-E1032 PolarHBondContact ND1-OE2 3.12Å; I1028-E1032 PolarHBondContact O-N 3.47Å; C1030-E1032 VanDerWaalsContact C-N 3.26Å; C1030-E1032 PolarHBondContact O-N 2.92Å; E1032-S1036 VanDerWaalsContact CA-O 3.27Å; E1032-S1036 WeakPolarHBondContact CA-O 3.34Å; E1032-S1036 PolarHBondContact N-O 3.27Å
1033	H	89.7	Confident	93.3	Very high	94 Å²	94	20.1 Å²	20.1	44%	0.435	9%	0.093	S	C	.	.	H	α-helix	trans	-97.5	-17.3	-179.5	-57.3	-62.2	0	0	0	114.5	Y738 L1029 C1030 A1031	Y738-H1033 AromaticContact CD1-CD2 3.92Å; Y738-H1033 HydrophobicContact CD2-CB 3.77Å; Y738-H1033 AromaticContact CE1-CD2 3.44Å; Y738-H1033 VanDerWaalsContact CE1-CD2 3.44Å; Y738-H1033 WeakPolarHBondContact CE1-CD2 3.46Å; Y738-H1033 AromaticContact CE1-NE2 3.94Å; Y738-H1033 HydrophobicContact CE2-CB 3.89Å; Y738-H1033 AromaticContact CE2-CD2 3.55Å; Y738-H1033 AromaticContact CE2-CG 3.68Å; Y738-H1033 HydrophobicContact CG-CB 4.28Å; Y738-H1033 AromaticContact CZ-CD2 3.25Å; Y738-H1033 AromaticContact CZ-CG 3.86Å; Y738-H1033 AromaticContact CZ-NE2 3.6Å; Y738-H1033 PolarHBondContact OH-NE2 3.11Å; L1029-H1033 PolarHBondContact O-CD2 3.43Å; C1030-H1033 PolarHBondContact O-N 2.98Å; A1031-H1033 PolarHBondContact O-N 3.4Å
1034	I	86.9	Confident	93.4	Very high	10 Å²	10	18.6 Å²	18.6	5%	0.051	9%	0.086	C	C	.	.	H	α-helix	trans	-110.2	-47.8	-171.5	-50.4	161.3	0	0	0	112.4	Y738 E739 Y742 C1030 A1031	Y738-I1034 WeakPolarHBondContact O-CD1 3.29Å; E739-I1034 HydrophobicContact CG-CD1 4.14Å; E739-I1034 HydrophobicContact CG-CG1 4.42Å; E739-I1034 HydrophobicContact CG-CG2 4.46Å; Y742-I1034 VanDerWaalsContact CB-CD1 3.46Å; Y742-I1034 HydrophobicContact CD1-CD1 4.04Å; Y742-I1034 HydrophobicContact CD2-CD1 4.48Å; Y742-I1034 HydrophobicContact CG-CD1 3.76Å; C1030-I1034 WeakPolarHBondContact O-CD1 3.44Å; C1030-I1034 WeakPolarHBondContact O-CG1 3.47Å; A1031-I1034 PolarHBondContact O-N 3.29Å
1035	V	89.4	Confident	93.3	Very high	5 Å²	5	18.6 Å²	18.6	3%	0.03	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-41.9	-161.4	-178.8	0	0	0	0	113.3	V697 I698 Y742 A1031 A1089	V697-V1035 WeakPolarHBondContact CA-O 3.32Å; I698-V1035 PolarHBondContact N-O 3.46Å; Y742-V1035 HydrophobicContact CE1-CG2 3.87Å; A1031-V1035 PolarHBondContact O-N 3.37Å; V1035-A1089 HydrophobicContact CG1-CB 3.61Å
1036	S	91.2	Very high	93.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.086	C	C	.	.			trans	-158.9	131.1	-173	176.8	0	0	0	0	111.5	L696 A1031 E1032 D1038	L696-S1036 VanDerWaalsContact O-CB 3.24Å; L696-S1036 WeakPolarHBondContact O-CB 3.42Å; L696-S1036 PolarHBondContact O-OG 3.1Å; A1031-S1036 CarbonylContact C-O 3.46Å; A1031-S1036 PolarHBondContact O-N 3.47Å; E1032-S1036 VanDerWaalsContact CA-O 3.27Å; E1032-S1036 WeakPolarHBondContact CA-O 3.34Å; E1032-S1036 PolarHBondContact N-O 3.27Å; S1036-D1038 PolarHBondContact O-N 3.38Å; S1036-D1038 VanDerWaalsContact O-N 3.14Å; S1036-D1038 PolarHBondContact OG-N 3.11Å
1037	K	89.7	Confident	93.3	Very high	158 Å²	158	18.4 Å²	18.4	69%	0.687	9%	0.086	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.1	173.3	-65	-175.2	177.3	-176.7	0	114.5	I698	I698-K1037 HydrophobicContact CD1-CG 4.43Å; I698-K1037 HydrophobicContact CG1-CG 4.44Å
1038	D	91.7	Very high	93.2	Very high	41 Å²	41	18.5 Å²	18.5	22%	0.219	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.6	65.4	179.4	-169.6	4.8	0	0	0	110.5	K973 S1036 S1040 L1041	K973-D1038 IonicContact NZ-OD1 3.36Å; K973-D1038 PolarHBondContact NZ-OD1 3.13Å; K973-D1038 IonicContact NZ-OD2 3.03Å; K973-D1038 PolarHBondContact NZ-OD2 3.49Å; S1036-D1038 PolarHBondContact O-N 3.38Å; S1036-D1038 VanDerWaalsContact O-N 3.14Å; S1036-D1038 PolarHBondContact OG-N 3.11Å; D1038-S1040 PolarHBondContact O-N 3.46Å; D1038-S1040 WeakPolarHBondContact OD1-CB 3.29Å; D1038-S1040 PolarHBondContact OD1-OG 2.77Å; D1038-L1041 HydrophobicContact CB-CD1 4.03Å; D1038-L1041 HydrophobicContact CB-CG 4.4Å; D1038-L1041 PolarHBondContact O-N 3.35Å; D1038-L1041 VanDerWaalsContact O-N 3.11Å
1039	F	94.8	Very high	93	Very high	1 Å²	1	20.3 Å²	20.3	0%	0.004	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.5	-179.4	-167.7	-105.1	0	0	0	113.7	Y742 V1027 I1028 A1031 L1041 F1042 I1043 A1085 R1086 A1089	Y742-F1039 HydrophobicContact CE2-CD2 4.47Å; Y742-F1039 HydrophobicContact CE2-CE1 4.34Å; Y742-F1039 HydrophobicContact CE2-CE2 4.02Å; Y742-F1039 AromaticContact CE2-CZ 3.95Å; Y742-F1039 HydrophobicContact CE2-CZ 3.95Å; V1027-F1039 HydrophobicContact CG1-CD1 4.25Å; V1027-F1039 HydrophobicContact CG1-CE1 3.77Å; I1028-F1039 HydrophobicContact CG1-CD1 4.3Å; I1028-F1039 HydrophobicContact CG2-CB 4.32Å; A1031-F1039 HydrophobicContact CB-CB 3.43Å; A1031-F1039 VanDerWaalsContact CB-CB 3.43Å; A1031-F1039 HydrophobicContact CB-CD1 3.93Å; A1031-F1039 HydrophobicContact CB-CD2 3.82Å; A1031-F1039 HydrophobicContact CB-CG 3.45Å; A1031-F1039 VanDerWaalsContact CB-CG 3.45Å; F1039-L1041 PolarHBondContact O-N 2.94Å; F1039-F1042 HydrophobicContact CD2-CB 4.18Å; F1039-F1042 AromaticContact CD2-CD2 3.97Å; F1039-F1042 HydrophobicContact CD2-CD2 3.97Å; F1039-F1042 HydrophobicContact CD2-CG 4.42Å; F1039-F1042 HydrophobicContact CE2-CB 4.1Å; F1039-F1042 HydrophobicContact CE2-CD2 4.46Å; F1039-F1042 PolarHBondContact O-N 2.85Å; F1039-I1043 HydrophobicContact CD1-CD1 3.9Å; F1039-I1043 HydrophobicContact CD1-CG1 4.01Å; F1039-I1043 HydrophobicContact CE1-CD1 4.02Å; F1039-I1043 HydrophobicContact CE1-CG1 3.87Å; F1039-I1043 PolarHBondContact O-N 2.94Å; F1039-A1085 HydrophobicContact CE1-CB 4.17Å; F1039-A1085 HydrophobicContact CZ-CB 3.78Å; F1039-R1086 HydrophobicContact CZ-CG 4.25Å; F1039-A1089 HydrophobicContact CE2-CB 4.02Å
1040	S	95	Very high	92.9	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.007	11%	0.108	C	C	.	.	H	α-helix	trans	-55.4	-32.6	172.4	80.9	0	0	0	0	112.5	K973 F1012 D1038 F1042 I1043 A1044	K973-S1040 PolarHBondContact NZ-OG 2.99Å; F1012-S1040 WeakPolarHBondContact CZ-O 3.37Å; D1038-S1040 PolarHBondContact O-N 3.46Å; D1038-S1040 WeakPolarHBondContact OD1-CB 3.29Å; D1038-S1040 PolarHBondContact OD1-OG 2.77Å; S1040-F1042 VanDerWaalsContact C-N 3.35Å; S1040-F1042 PolarHBondContact O-N 2.84Å; S1040-I1043 PolarHBondContact O-N 3.38Å; S1040-A1044 PolarHBondContact O-N 2.89Å
1041	L	95	Very high	92.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.6	-38.2	177.7	-64.1	168.9	0	0	0	112.2	L696 K973 Y976 I977 L980 F1008 D1038 F1039 L1045	L696-L1041 HydrophobicContact CD2-CD1 3.72Å; K973-L1041 HydrophobicContact CB-CD2 4.16Å; K973-L1041 HydrophobicContact CG-CD2 4.2Å; Y976-L1041 HydrophobicContact CD2-CD1 3.96Å; Y976-L1041 HydrophobicContact CG-CD1 4.27Å; I977-L1041 HydrophobicContact CD1-CB 4.16Å; I977-L1041 HydrophobicContact CD1-CD2 3.9Å; I977-L1041 VanDerWaalsContact CD1-O 3.22Å; I977-L1041 WeakPolarHBondContact CD1-O 3.33Å; I977-L1041 HydrophobicContact CG1-CD2 3.88Å; L980-L1041 HydrophobicContact CD1-CB 4.11Å; F1008-L1041 HydrophobicContact CE1-CD2 4.18Å; F1008-L1041 HydrophobicContact CZ-CD2 3.99Å; D1038-L1041 HydrophobicContact CB-CD1 4.03Å; D1038-L1041 HydrophobicContact CB-CG 4.4Å; D1038-L1041 PolarHBondContact O-N 3.35Å; D1038-L1041 VanDerWaalsContact O-N 3.11Å; F1039-L1041 PolarHBondContact O-N 2.94Å; L1041-L1045 WeakPolarHBondContact O-CB 3.48Å; L1041-L1045 PolarHBondContact O-N 2.99Å
1042	F	95.8	Very high	92.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-73.4	-30.4	178.7	-66.8	-73.3	0	0	0	112.4	V697 L980 F1039 S1040 A1046 A1085 F1088 A1089 V1092	V697-F1042 HydrophobicContact CG2-CE2 4.49Å; V697-F1042 HydrophobicContact CG2-CZ 4.07Å; L980-F1042 HydrophobicContact CD2-CE1 4.12Å; F1039-F1042 HydrophobicContact CD2-CB 4.18Å; F1039-F1042 AromaticContact CD2-CD2 3.97Å; F1039-F1042 HydrophobicContact CD2-CD2 3.97Å; F1039-F1042 HydrophobicContact CD2-CG 4.42Å; F1039-F1042 HydrophobicContact CE2-CB 4.1Å; F1039-F1042 HydrophobicContact CE2-CD2 4.46Å; F1039-F1042 PolarHBondContact O-N 2.85Å; S1040-F1042 VanDerWaalsContact C-N 3.35Å; S1040-F1042 PolarHBondContact O-N 2.84Å; F1042-A1046 VanDerWaalsContact O-CB 3.24Å; F1042-A1046 WeakPolarHBondContact O-CB 3.33Å; F1042-A1046 PolarHBondContact O-N 3.33Å; F1042-A1085 HydrophobicContact CB-CB 4.1Å; F1042-A1085 WeakPolarHBondContact O-CB 3.27Å; F1042-F1088 HydrophobicContact CD1-CB 3.93Å; F1042-A1089 HydrophobicContact CD1-CB 4Å; F1042-A1089 HydrophobicContact CD2-CB 4.05Å; F1042-A1089 HydrophobicContact CE1-CB 4.11Å; F1042-A1089 HydrophobicContact CE2-CB 4.16Å; F1042-A1089 HydrophobicContact CG-CB 3.96Å; F1042-A1089 HydrophobicContact CZ-CB 4.2Å; F1042-V1092 HydrophobicContact CE1-CB 4.18Å; F1042-V1092 HydrophobicContact CE1-CG2 3.8Å; F1042-V1092 HydrophobicContact CZ-CB 4.22Å; F1042-V1092 HydrophobicContact CZ-CG2 4.25Å
1043	I	96.8	Very high	92.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-70.2	-44.8	173.3	-62.7	175.2	0	0	0	110.7	F1012 I1024 I1028 F1039 S1040 L1045 A1046 L1047 I1081 L1082 A1085	F1012-I1043 HydrophobicContact CD1-CG2 4.17Å; F1012-I1043 HydrophobicContact CD2-CG2 4.24Å; F1012-I1043 HydrophobicContact CE1-CB 4.41Å; F1012-I1043 HydrophobicContact CE1-CG2 3.81Å; F1012-I1043 HydrophobicContact CE2-CB 3.99Å; F1012-I1043 HydrophobicContact CE2-CG2 3.88Å; F1012-I1043 HydrophobicContact CG-CG2 4.38Å; F1012-I1043 HydrophobicContact CZ-CB 3.82Å; F1012-I1043 HydrophobicContact CZ-CG2 3.68Å; I1024-I1043 HydrophobicContact CG2-CD1 4.02Å; I1028-I1043 HydrophobicContact CD1-CD1 3.8Å; I1028-I1043 HydrophobicContact CG1-CD1 3.52Å; F1039-I1043 HydrophobicContact CD1-CD1 3.9Å; F1039-I1043 HydrophobicContact CD1-CG1 4.01Å; F1039-I1043 HydrophobicContact CE1-CD1 4.02Å; F1039-I1043 HydrophobicContact CE1-CG1 3.87Å; F1039-I1043 PolarHBondContact O-N 2.94Å; S1040-I1043 PolarHBondContact O-N 3.38Å; I1043-L1045 PolarHBondContact O-N 3.02Å; I1043-A1046 PolarHBondContact O-N 3.4Å; I1043-A1046 VanDerWaalsContact O-N 3.13Å; I1043-L1047 PolarHBondContact O-N 3.3Å; I1043-I1081 HydrophobicContact CG2-CG2 4.14Å; I1043-L1082 HydrophobicContact CD1-CD2 4.22Å; I1043-A1085 HydrophobicContact CG1-CB 4.1Å
1044	A	96	Very high	92.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.1	-43.5	174.6	0	0	0	0	0	112	I977 W1007 F1008 F1012 S1040 A1046 L1047 I1048	I977-A1044 HydrophobicContact CD1-CB 3.79Å; W1007-A1044 HydrophobicContact CE3-CB 3.7Å; W1007-A1044 HydrophobicContact CZ3-CB 3.97Å; F1008-A1044 HydrophobicContact CE1-CB 3.85Å; F1008-A1044 HydrophobicContact CZ-CB 3.58Å; F1012-A1044 HydrophobicContact CE1-CB 4.25Å; F1012-A1044 HydrophobicContact CZ-CB 4.06Å; S1040-A1044 PolarHBondContact O-N 2.89Å; A1044-A1046 VanDerWaalsContact C-N 3.32Å; A1044-A1046 PolarHBondContact O-N 2.88Å; A1044-L1047 PolarHBondContact O-N 3.14Å; A1044-I1048 WeakPolarHBondContact O-CG1 3.36Å; A1044-I1048 PolarHBondContact O-N 3.47Å; A1044-I1048 VanDerWaalsContact O-N 3.13Å
1045	L	94.5	Very high	92	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-60.8	-40.2	172.3	178.9	69.6	0	0	0	111.9	L980 I981 L984 L1041 I1043 I1048 Q1049 F1088	L980-L1045 HydrophobicContact CB-CD1 4.44Å; L980-L1045 HydrophobicContact CB-CD2 4.32Å; I981-L1045 HydrophobicContact CD1-CD1 4.31Å; I981-L1045 HydrophobicContact CG1-CD1 3.43Å; I981-L1045 VanDerWaalsContact CG1-CD1 3.43Å; L984-L1045 HydrophobicContact CD1-CD2 3.53Å; L1041-L1045 WeakPolarHBondContact O-CB 3.48Å; L1041-L1045 PolarHBondContact O-N 2.99Å; I1043-L1045 PolarHBondContact O-N 3.02Å; L1045-I1048 PolarHBondContact O-N 3.34Å; L1045-Q1049 PolarHBondContact O-N 3.21Å; L1045-F1088 HydrophobicContact CB-CD2 4.44Å; L1045-F1088 HydrophobicContact CD1-CE2 4.44Å; L1045-F1088 HydrophobicContact CD2-CB 3.87Å; L1045-F1088 HydrophobicContact CD2-CD1 4.08Å; L1045-F1088 HydrophobicContact CD2-CD2 3.43Å; L1045-F1088 VanDerWaalsContact CD2-CD2 3.43Å; L1045-F1088 HydrophobicContact CD2-CE1 4.39Å; L1045-F1088 HydrophobicContact CD2-CE2 3.77Å; L1045-F1088 HydrophobicContact CD2-CG 3.57Å; L1045-F1088 HydrophobicContact CD2-CZ 4.22Å; L1045-F1088 HydrophobicContact CG-CD2 3.66Å; L1045-F1088 HydrophobicContact CG-CE2 3.58Å; L1045-F1088 HydrophobicContact CG-CG 4.3Å; L1045-F1088 HydrophobicContact CG-CZ 4.19Å
1046	A	95.7	Very high	91.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-67.4	-40.4	179.6	0	0	0	0	0	112.9	F1042 I1043 A1044 Q1049 N1050 I1081 L1084 A1085	F1042-A1046 VanDerWaalsContact O-CB 3.24Å; F1042-A1046 WeakPolarHBondContact O-CB 3.33Å; F1042-A1046 PolarHBondContact O-N 3.33Å; I1043-A1046 PolarHBondContact O-N 3.4Å; I1043-A1046 VanDerWaalsContact O-N 3.13Å; A1044-A1046 VanDerWaalsContact C-N 3.32Å; A1044-A1046 PolarHBondContact O-N 2.88Å; A1046-Q1049 PolarHBondContact O-N 2.87Å; A1046-N1050 VanDerWaalsContact O-CB 3.3Å; A1046-N1050 WeakPolarHBondContact O-CB 3.44Å; A1046-N1050 PolarHBondContact O-N 2.82Å; A1046-I1081 HydrophobicContact CB-CG2 4.12Å; A1046-I1081 WeakPolarHBondContact CB-O 3.07Å; A1046-L1084 HydrophobicContact CB-CB 4.23Å; A1046-L1084 HydrophobicContact CB-CD2 3.64Å; A1046-A1085 HydrophobicContact CB-CB 3.91Å
1047	L	94.9	Very high	91.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.9	-48.2	171.4	-75.2	167.5	0	0	0	111.2	W1007 F1012 F1016 I1043 A1044 Q1049 N1050 Y1051 F1069 H1076 I1081	W1007-L1047 HydrophobicContact CD2-CD1 4.31Å; W1007-L1047 HydrophobicContact CE3-CD1 4.36Å; W1007-L1047 HydrophobicContact CH2-CB 3.91Å; W1007-L1047 HydrophobicContact CH2-CD1 4.32Å; W1007-L1047 HydrophobicContact CZ2-CB 4.42Å; W1007-L1047 HydrophobicContact CZ2-CD1 4.27Å; W1007-L1047 HydrophobicContact CZ3-CB 4.22Å; W1007-L1047 HydrophobicContact CZ3-CD1 4.36Å; F1012-L1047 HydrophobicContact CD1-CD1 3.92Å; F1012-L1047 HydrophobicContact CE1-CD1 3.8Å; F1016-L1047 HydrophobicContact CZ-CD2 4.18Å; I1043-L1047 PolarHBondContact O-N 3.3Å; A1044-L1047 PolarHBondContact O-N 3.14Å; L1047-Q1049 PolarHBondContact O-N 3.42Å; L1047-N1050 PolarHBondContact O-N 3.48Å; L1047-Y1051 VanDerWaalsContact O-CD2 3.28Å; L1047-Y1051 WeakPolarHBondContact O-CD2 3.49Å; L1047-F1069 HydrophobicContact CB-CE1 4.23Å; L1047-H1076 HydrophobicContact CD2-CB 4.35Å; L1047-I1081 HydrophobicContact CD2-CD1 3.86Å; L1047-I1081 HydrophobicContact CD2-CG1 4.1Å; L1047-I1081 HydrophobicContact CD2-CG2 4.44Å; L1047-I1081 HydrophobicContact CG-CD1 4.34Å; L1047-I1081 HydrophobicContact CG-CG2 4.36Å
1048	I	92.7	Very high	90.6	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-61.2	-45.4	177.4	-67.2	167.4	0	0	0	110.9	I977 I981 L988 F1001 F1003 W1007 A1044 L1045 Y1051 R1052	I977-I1048 HydrophobicContact CG2-CD1 4.22Å; I981-I1048 HydrophobicContact CD1-CD1 3.78Å; I981-I1048 HydrophobicContact CD1-CG2 4.13Å; L988-I1048 HydrophobicContact CD2-CG2 3.52Å; F1001-I1048 HydrophobicContact CE1-CD1 4.46Å; F1003-I1048 HydrophobicContact CE2-CD1 4.02Å; F1003-I1048 HydrophobicContact CE2-CG1 4.06Å; F1003-I1048 HydrophobicContact CZ-CD1 3.75Å; F1003-I1048 HydrophobicContact CZ-CG1 4.17Å; W1007-I1048 HydrophobicContact CH2-CD1 4.46Å; W1007-I1048 HydrophobicContact CH2-CG1 3.88Å; W1007-I1048 HydrophobicContact CZ3-CD1 4.08Å; W1007-I1048 HydrophobicContact CZ3-CG1 3.92Å; A1044-I1048 WeakPolarHBondContact O-CG1 3.36Å; A1044-I1048 PolarHBondContact O-N 3.47Å; A1044-I1048 VanDerWaalsContact O-N 3.13Å; L1045-I1048 PolarHBondContact O-N 3.34Å; I1048-Y1051 PolarHBondContact O-N 3.14Å; I1048-R1052 WeakPolarHBondContact O-CA 3.11Å; I1048-R1052 PolarHBondContact O-N 3.08Å
1049	Q	91.8	Very high	89.9	Confident	43 Å²	43	22.1 Å²	22.1	20%	0.201	12%	0.116	C	C	.	.	H	α-helix	trans	-69.1	-36.9	-178.2	-161.4	70.9	5.8	0	0	113.1	D985 L1045 A1046 L1047 Y1051 R1052 L1084 F1088	D985-Q1049 PolarHBondContact OD2-NE2 2.79Å; D985-Q1049 PolarHBondContact OD2-OE1 3.44Å; L1045-Q1049 PolarHBondContact O-N 3.21Å; A1046-Q1049 PolarHBondContact O-N 2.87Å; L1047-Q1049 PolarHBondContact O-N 3.42Å; Q1049-Y1051 PolarHBondContact O-N 3.33Å; Q1049-R1052 WeakPolarHBondContact O-CB 3.28Å; Q1049-R1052 PolarHBondContact O-N 2.77Å; Q1049-R1052 VanDerWaalsContact O-N 3.12Å; Q1049-L1084 HydrophobicContact CB-CD2 3.9Å; Q1049-L1084 HydrophobicContact CG-CD2 4.41Å; Q1049-F1088 HydrophobicContact CB-CE2 3.67Å; Q1049-F1088 HydrophobicContact CB-CZ 3.73Å; Q1049-F1088 HydrophobicContact CG-CE2 4.09Å; Q1049-F1088 HydrophobicContact CG-CZ 3.63Å
1050	N	91.4	Very high	89.1	Confident	57 Å²	57	22.4 Å²	22.4	31%	0.305	12%	0.118	S	C	.	.	H	α-helix	trans	-60.1	-31.4	-179.4	-169.2	55.7	0	0	0	112.4	A1046 L1047 I1081	A1046-N1050 VanDerWaalsContact O-CB 3.3Å; A1046-N1050 WeakPolarHBondContact O-CB 3.44Å; A1046-N1050 PolarHBondContact O-N 2.82Å; L1047-N1050 PolarHBondContact O-N 3.48Å; N1050-I1081 HydrophobicContact CB-CD1 3.66Å
1051	Y	90.8	Very high	88.3	Confident	18 Å²	18	25.6 Å²	25.6	7%	0.071	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	11.5	177.2	-54.5	-73.5	0	0	0	113.8	I252 L1047 I1048 Q1049 D1053 V1054 I1055 F1068 F1069 I1072 H1076	I252-Y1051 HydrophobicContact CD1-CD1 4.21Å; I252-Y1051 HydrophobicContact CD1-CE1 3.68Å; I252-Y1051 HydrophobicContact CG1-CD1 4.21Å; I252-Y1051 HydrophobicContact CG1-CE1 4.13Å; L1047-Y1051 VanDerWaalsContact O-CD2 3.28Å; L1047-Y1051 WeakPolarHBondContact O-CD2 3.49Å; I1048-Y1051 PolarHBondContact O-N 3.14Å; Q1049-Y1051 PolarHBondContact O-N 3.33Å; Y1051-D1053 VanDerWaalsContact C-N 3.31Å; Y1051-D1053 PolarHBondContact O-N 3.06Å; Y1051-V1054 HydrophobicContact CD1-CG2 4.43Å; Y1051-V1054 WeakPolarHBondContact O-CA 3.24Å; Y1051-V1054 VanDerWaalsContact O-CB 3.31Å; Y1051-V1054 WeakPolarHBondContact O-CB 3.21Å; Y1051-V1054 PolarHBondContact O-N 3.38Å; Y1051-I1055 WeakPolarHBondContact O-CG1 3.4Å; Y1051-I1055 PolarHBondContact O-N 2.94Å; Y1051-I1055 VanDerWaalsContact O-N 3.08Å; Y1051-F1068 AromaticContact CD1-CE1 4Å; Y1051-F1068 HydrophobicContact CD1-CE1 4Å; Y1051-F1068 AromaticContact CD1-CZ 3.65Å; Y1051-F1068 HydrophobicContact CD1-CZ 3.65Å; Y1051-F1068 HydrophobicContact CD2-CE1 4.08Å; Y1051-F1068 HydrophobicContact CE1-CZ 4.4Å; Y1051-F1068 AromaticContact CG-CE1 3.6Å; Y1051-F1068 HydrophobicContact CG-CE1 3.6Å; Y1051-F1068 AromaticContact CG-CZ 3.73Å; Y1051-F1068 HydrophobicContact CG-CZ 3.73Å; Y1051-F1069 AromaticContact CD2-CE1 3.65Å; Y1051-F1069 HydrophobicContact CD2-CE1 3.65Å; Y1051-F1069 HydrophobicContact CD2-CZ 4.04Å; Y1051-F1069 HydrophobicContact CE2-CE1 4.11Å; Y1051-I1072 HydrophobicContact CE1-CD1 4.41Å; Y1051-H1076 AromaticContact CE2-CE1 3.66Å; Y1051-H1076 AromaticContact CE2-ND1 3.46Å; Y1051-H1076 WeakPolarHBondContact CE2-ND1 3.17Å; Y1051-H1076 AromaticContact CZ-ND1 3.61Å; Y1051-H1076 PolarHBondContact OH-ND1 3Å
1052	R	89.3	Confident	87.6	Confident	38 Å²	38	27.7 Å²	27.7	14%	0.143	14%	0.144	C	C	.	.	H	α-helix	trans	-55.5	-41.4	-176.2	171.4	-104.7	-166.5	-125.3	-9	113.9	D985 L988 I1048 Q1049 V1054 S1056	D985-R1052 IonicContact OD1-CZ 3.36Å; D985-R1052 IonicContact OD1-NE 2.95Å; D985-R1052 IonicContact OD1-NH2 3.34Å; D985-R1052 PolarHBondContact OD1-NH2 3.09Å; D985-R1052 IonicContact OD2-CZ 2.65Å; D985-R1052 IonicContact OD2-NE 3.34Å; D985-R1052 PolarHBondContact OD2-NE 3.05Å; D985-R1052 IonicContact OD2-NH2 2.62Å; D985-R1052 PolarHBondContact OD2-NH2 2.81Å; L988-R1052 HydrophobicContact CB-CG 4.36Å; L988-R1052 HydrophobicContact CD1-CG 4.13Å; L988-R1052 HydrophobicContact CD2-CB 4.46Å; L988-R1052 HydrophobicContact CD2-CG 3.99Å; L988-R1052 HydrophobicContact CG-CG 4.38Å; I1048-R1052 WeakPolarHBondContact O-CA 3.11Å; I1048-R1052 PolarHBondContact O-N 3.08Å; Q1049-R1052 WeakPolarHBondContact O-CB 3.28Å; Q1049-R1052 PolarHBondContact O-N 2.77Å; Q1049-R1052 VanDerWaalsContact O-N 3.12Å; R1052-V1054 VanDerWaalsContact C-N 3.27Å; R1052-V1054 PolarHBondContact O-N 2.89Å; R1052-S1056 VanDerWaalsContact O-CB 3.26Å; R1052-S1056 WeakPolarHBondContact O-CB 3.42Å; R1052-S1056 PolarHBondContact O-N 3Å; R1052-S1056 PolarHBondContact O-OG 2.79Å
1053	D	85.8	Confident	86.8	Confident	59 Å²	59	32.3 Å²	32.3	32%	0.316	17%	0.172	S	C	.	.	H	α-helix	trans	-69.3	-26.6	176.5	-74.7	-14.8	0	0	0	111.3	Q255 Y1051 S1057	Q255-D1053 PolarHBondContact OE1-O 3.45Å; Q255-D1053 VanDerWaalsContact OE1-O 3.06Å; Y1051-D1053 VanDerWaalsContact C-N 3.31Å; Y1051-D1053 PolarHBondContact O-N 3.06Å; D1053-S1057 WeakPolarHBondContact O-CB 3.27Å; D1053-S1057 PolarHBondContact O-N 3.42Å; D1053-S1057 PolarHBondContact O-OG 3.16Å
1054	V	85.1	Confident	86.2	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-73.7	-47.7	180	-172.2	0	0	0	0	109.2	L251 Q255 Y1051 R1052 S1056 S1057 N1058 M1060 F1068	L251-V1054 HydrophobicContact CB-CG1 3.82Å; Q255-V1054 HydrophobicContact CB-CG2 4.33Å; Q255-V1054 VanDerWaalsContact CD-CG2 3.49Å; Q255-V1054 HydrophobicContact CG-CG2 4.49Å; Y1051-V1054 HydrophobicContact CD1-CG2 4.43Å; Y1051-V1054 WeakPolarHBondContact O-CA 3.24Å; Y1051-V1054 VanDerWaalsContact O-CB 3.31Å; Y1051-V1054 WeakPolarHBondContact O-CB 3.21Å; Y1051-V1054 PolarHBondContact O-N 3.38Å; R1052-V1054 VanDerWaalsContact C-N 3.27Å; R1052-V1054 PolarHBondContact O-N 2.89Å; V1054-S1056 VanDerWaalsContact C-N 3.32Å; V1054-S1056 PolarHBondContact O-N 3.26Å; V1054-S1057 PolarHBondContact O-OG 3.39Å; V1054-N1058 WeakPolarHBondContact O-CB 3.49Å; V1054-N1058 PolarHBondContact O-N 3.38Å; V1054-N1058 VanDerWaalsContact O-N 3.15Å; V1054-N1058 PolarHBondContact O-ND2 3.3Å; V1054-M1060 HydrophobicContact CG1-SD 4.39Å; V1054-F1068 HydrophobicContact CB-CE2 4.39Å; V1054-F1068 HydrophobicContact CB-CZ 4.18Å; V1054-F1068 HydrophobicContact CG1-CE2 3.69Å; V1054-F1068 HydrophobicContact CG1-CZ 3.99Å; V1054-F1068 HydrophobicContact CG2-CZ 4.38Å
1055	I	85.1	Confident	85.8	Confident	3 Å²	3	34.4 Å²	34.4	2%	0.015	18%	0.183	C	C	.	.	H	α-helix	trans	-55	-50.3	173	-62.5	168.6	0	0	0	109.8	L988 H991 L992 Y1051 H1059 M1060 I1065 F1069	L988-I1055 HydrophobicContact CD1-CG2 4.27Å; H991-I1055 PolarHBondContact NE2-O 3.23Å; L992-I1055 HydrophobicContact CD2-CG2 4.06Å; Y1051-I1055 WeakPolarHBondContact O-CG1 3.4Å; Y1051-I1055 PolarHBondContact O-N 2.94Å; Y1051-I1055 VanDerWaalsContact O-N 3.08Å; I1055-H1059 PolarHBondContact O-N 2.95Å; I1055-M1060 HydrophobicContact CG1-SD 4.36Å; I1055-M1060 HydrophobicContact CG2-CB 4.37Å; I1055-M1060 PolarHBondContact O-N 3.44Å; I1055-I1065 HydrophobicContact CG1-CG1 4.34Å; I1055-I1065 HydrophobicContact CG2-CD1 3.8Å; I1055-I1065 HydrophobicContact CG2-CG1 4.1Å; I1055-F1069 HydrophobicContact CD1-CE2 4.39Å
1056	S	83.4	Confident	85.4	Confident	22 Å²	22	37.8 Å²	37.8	15%	0.154	20%	0.201	C	C	.	.	H	α-helix	trans	-68.1	-44.4	-175.5	-59.4	0	0	0	0	113.5	H991 R1052 V1054 H1059	H991-S1056 PolarHBondContact CE1-O 3.36Å; R1052-S1056 VanDerWaalsContact O-CB 3.26Å; R1052-S1056 WeakPolarHBondContact O-CB 3.42Å; R1052-S1056 PolarHBondContact O-N 3Å; R1052-S1056 PolarHBondContact O-OG 2.79Å; V1054-S1056 VanDerWaalsContact C-N 3.32Å; V1054-S1056 PolarHBondContact O-N 3.26Å; S1056-H1059 PolarHBondContact O-ND1 2.94Å
1057	S	80.2	Confident	85.1	Confident	63 Å²	63	40.9 Å²	40.9	44%	0.441	22%	0.215	S	C	.	.	H	α-helix	trans	-71.7	-37	-175.5	57.4	0	0	0	0	112.8	D1053 V1054	D1053-S1057 WeakPolarHBondContact O-CB 3.27Å; D1053-S1057 PolarHBondContact O-N 3.42Å; D1053-S1057 PolarHBondContact O-OG 3.16Å; V1054-S1057 PolarHBondContact O-OG 3.39Å
1058	N	77.3	Confident	84.8	Confident	68 Å²	68	41 Å²	41	36%	0.364	22%	0.215	S	C	.	.	H	α-helix	trans	-87	-8	179.5	-64.1	-69.4	0	0	0	113.6	V1054 M1060	V1054-N1058 WeakPolarHBondContact O-CB 3.49Å; V1054-N1058 PolarHBondContact O-N 3.38Å; V1054-N1058 VanDerWaalsContact O-N 3.15Å; V1054-N1058 PolarHBondContact O-ND2 3.3Å; N1058-M1060 HydrophobicContact CB-CG 3.89Å; N1058-M1060 HydrophobicContact CB-SD 4.26Å
1059	H	77.4	Confident	84.8	Confident	87 Å²	87	41.1 Å²	41.1	40%	0.403	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	49.6	-178.2	-51.1	-18.5	0	0	0	112.4	H991 F995 I1055 S1056	H991-H1059 AromaticContact CE1-ND1 3.79Å; F995-H1059 HydrophobicContact CE1-CB 4.03Å; F995-H1059 HydrophobicContact CE2-CB 4.03Å; F995-H1059 HydrophobicContact CZ-CB 3.73Å; F995-H1059 AromaticContact CZ-CG 3.82Å; I1055-H1059 PolarHBondContact O-N 2.95Å; S1056-H1059 PolarHBondContact O-ND1 2.94Å
1060	M	78.2	Confident	84.7	Confident	8 Å²	8	42.5 Å²	42.5	4%	0.039	22%	0.224	C	C	.	.			trans	-73.5	129.1	-172	-69.9	170.9	62.8	0	0	111.9	L251 V1054 I1055 N1058 D1064 I1065 F1068	L251-M1060 HydrophobicContact CD1-SD 4.45Å; V1054-M1060 HydrophobicContact CG1-SD 4.39Å; I1055-M1060 HydrophobicContact CG1-SD 4.36Å; I1055-M1060 HydrophobicContact CG2-CB 4.37Å; I1055-M1060 PolarHBondContact O-N 3.44Å; N1058-M1060 HydrophobicContact CB-CG 3.89Å; N1058-M1060 HydrophobicContact CB-SD 4.26Å; M1060-D1064 HydrophobicContact CB-CB 3.9Å; M1060-D1064 HydrophobicContact CE-CB 4.21Å; M1060-D1064 WeakPolarHBondContact CE-O 3.39Å; M1060-D1064 HydrophobicContact CG-CB 4.15Å; M1060-I1065 HydrophobicContact CB-CG1 3.89Å; M1060-I1065 HydrophobicContact CE-CG1 4.28Å; M1060-F1068 HydrophobicContact CE-CB 3.4Å; M1060-F1068 HydrophobicContact CE-CD1 4.31Å; M1060-F1068 HydrophobicContact CE-CD2 3.95Å; M1060-F1068 HydrophobicContact CE-CG 3.66Å
1061	E	77.6	Confident	84.6	Confident	67 Å²	67	42.2 Å²	42.2	31%	0.313	22%	0.221	S	C	.	.			trans	-80.9	168.2	173.7	-63.3	170.2	-143.4	0	0	110.1	K239 F995 T1063 D1064 I1065	K239-E1061 IonicContact NZ-OE1 2.74Å; K239-E1061 PolarHBondContact NZ-OE1 3Å; K239-E1061 VanDerWaalsContact NZ-OE1 3.13Å; F995-E1061 HydrophobicContact CB-CG 4.22Å; E1061-T1063 PolarHBondContact O-N 2.85Å; E1061-T1063 VanDerWaalsContact O-N 3.12Å; E1061-D1064 PolarHBondContact N-OD2 3.42Å; E1061-D1064 WeakPolarHBondContact O-CA 3.43Å; E1061-D1064 WeakPolarHBondContact O-CB 3.4Å; E1061-D1064 PolarHBondContact O-N 3.21Å; E1061-I1065 WeakPolarHBondContact O-CG1 2.78Å; E1061-I1065 PolarHBondContact O-N 3.39Å
1062	L	79.1	Confident	84.6	Confident	45 Å²	45	41.5 Å²	41.5	24%	0.236	22%	0.218	C	C	.	.	H	α-helix	trans	-53.9	-36.5	-177.1	175.6	62.8	0	0	0	113.3	S996 F1003 L1066	S996-L1062 WeakPolarHBondContact OG-CB 3.12Å; F1003-L1062 HydrophobicContact CB-CD1 4.15Å; F1003-L1062 HydrophobicContact CD1-CD1 3.49Å; F1003-L1062 VanDerWaalsContact CD1-CD1 3.49Å; F1003-L1062 HydrophobicContact CE1-CD1 4.3Å; F1003-L1062 HydrophobicContact CG-CD1 4.19Å; L1062-L1066 WeakPolarHBondContact O-CB 3.41Å; L1062-L1066 PolarHBondContact O-N 3.14Å; L1062-L1066 VanDerWaalsContact O-N 3.08Å
1063	T	80.9	Confident	84.6	Confident	97 Å²	97	40.6 Å²	40.6	60%	0.595	22%	0.219	S	C	*	.	H	α-helix	trans	-68.1	-37	175.5	45.6	0	0	0	0	112.8	E1061 L1066 K1067	E1061-T1063 PolarHBondContact O-N 2.85Å; E1061-T1063 VanDerWaalsContact O-N 3.12Å; T1063-L1066 PolarHBondContact O-N 2.85Å; T1063-K1067 WeakPolarHBondContact O-CB 3.39Å; T1063-K1067 PolarHBondContact O-N 2.89Å
1064	D	83.7	Confident	84.8	Confident	42 Å²	42	41.5 Å²	41.5	23%	0.225	22%	0.221	C	C	.	.	H	α-helix	trans	-72.4	-39.4	-179.9	-52.1	-26.5	0	0	0	110	M1060 E1061 K1067 F1068	M1060-D1064 HydrophobicContact CB-CB 3.9Å; M1060-D1064 HydrophobicContact CE-CB 4.21Å; M1060-D1064 WeakPolarHBondContact CE-O 3.39Å; M1060-D1064 HydrophobicContact CG-CB 4.15Å; E1061-D1064 PolarHBondContact N-OD2 3.42Å; E1061-D1064 WeakPolarHBondContact O-CA 3.43Å; E1061-D1064 WeakPolarHBondContact O-CB 3.4Å; E1061-D1064 PolarHBondContact O-N 3.21Å; D1064-K1067 PolarHBondContact O-N 2.88Å; D1064-F1068 WeakPolarHBondContact O-CB 3.48Å; D1064-F1068 PolarHBondContact O-N 3.13Å
1065	I	86.7	Confident	85	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-62.2	-45.1	173.9	-63.7	169.1	0	0	0	110.6	L992 F1003 I1055 M1060 E1061 F1068 F1069	L992-I1065 HydrophobicContact CD2-CD1 3.35Å; F1003-I1065 HydrophobicContact CD2-CG2 3.77Å; F1003-I1065 HydrophobicContact CE2-CG2 3.81Å; F1003-I1065 HydrophobicContact CG-CG2 4.17Å; F1003-I1065 HydrophobicContact CZ-CG2 4.25Å; I1055-I1065 HydrophobicContact CG1-CG1 4.34Å; I1055-I1065 HydrophobicContact CG2-CD1 3.8Å; I1055-I1065 HydrophobicContact CG2-CG1 4.1Å; M1060-I1065 HydrophobicContact CB-CG1 3.89Å; M1060-I1065 HydrophobicContact CE-CG1 4.28Å; E1061-I1065 WeakPolarHBondContact O-CG1 2.78Å; E1061-I1065 PolarHBondContact O-N 3.39Å; I1065-F1068 PolarHBondContact O-N 3.27Å; I1065-F1069 HydrophobicContact CG2-CD2 3.77Å; I1065-F1069 HydrophobicContact CG2-CE2 3.82Å; I1065-F1069 WeakPolarHBondContact O-CD2 3.4Å; I1065-F1069 PolarHBondContact O-N 3.02Å
1066	L	87.7	Confident	85.3	Confident	72 Å²	72	47.7 Å²	47.7	38%	0.377	25%	0.25	S	C	.	.	H	α-helix	trans	-62.3	-45.3	175.3	176.4	58.6	0	0	0	111.7	F1003 L1062 T1063 N1070	F1003-L1066 HydrophobicContact CB-CB 4.13Å; F1003-L1066 HydrophobicContact CB-CD1 4.22Å; L1062-L1066 WeakPolarHBondContact O-CB 3.41Å; L1062-L1066 PolarHBondContact O-N 3.14Å; L1062-L1066 VanDerWaalsContact O-N 3.08Å; T1063-L1066 PolarHBondContact O-N 2.85Å; L1066-N1070 WeakPolarHBondContact O-CB 3.49Å; L1066-N1070 PolarHBondContact O-N 3.26Å; L1066-N1070 PolarHBondContact O-ND2 3.45Å; L1066-N1070 VanDerWaalsContact O-ND2 3.11Å
1067	K	87.4	Confident	85.7	Confident	65 Å²	65	50.6 Å²	50.6	28%	0.283	26%	0.264	S	S	.	.	H	α-helix	trans	-58.3	-48	175.2	-179.1	-175.5	168.4	-167.3	0	111.2	N245 T1063 D1064 N1070 E1071	N245-K1067 PolarHBondContact OD1-NZ 3.01Å; T1063-K1067 WeakPolarHBondContact O-CB 3.39Å; T1063-K1067 PolarHBondContact O-N 2.89Å; D1064-K1067 PolarHBondContact O-N 2.88Å; K1067-N1070 WeakPolarHBondContact O-CB 3.09Å; K1067-N1070 PolarHBondContact O-N 3.2Å; K1067-N1070 VanDerWaalsContact O-N 3.15Å; K1067-E1071 WeakPolarHBondContact CE-OE1 3.4Å; K1067-E1071 WeakPolarHBondContact CG-OE1 3.1Å; K1067-E1071 IonicContact NZ-OE1 2.67Å; K1067-E1071 WeakPolarHBondContact O-CG 3.37Å; K1067-E1071 PolarHBondContact O-N 3.23Å
1068	F	90.3	Very high	86.3	Confident	3 Å²	3	48 Å²	48	1%	0.013	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-48.3	-179.6	173.5	-93.3	0	0	0	113.4	A248 L251 I252 Y1051 V1054 M1060 D1064 I1065 N1070 E1071 I1072	A248-F1068 HydrophobicContact CB-CB 4.46Å; A248-F1068 HydrophobicContact CB-CD2 3.5Å; A248-F1068 HydrophobicContact CB-CE2 4.01Å; A248-F1068 HydrophobicContact CB-CG 4.15Å; L251-F1068 HydrophobicContact CB-CE2 4.39Å; L251-F1068 HydrophobicContact CD1-CD2 4.13Å; I252-F1068 HydrophobicContact CD1-CZ 4.49Å; I252-F1068 HydrophobicContact CG1-CE2 4.24Å; I252-F1068 HydrophobicContact CG1-CZ 4.25Å; Y1051-F1068 AromaticContact CD1-CE1 4Å; Y1051-F1068 HydrophobicContact CD1-CE1 4Å; Y1051-F1068 AromaticContact CD1-CZ 3.65Å; Y1051-F1068 HydrophobicContact CD1-CZ 3.65Å; Y1051-F1068 HydrophobicContact CD2-CE1 4.08Å; Y1051-F1068 HydrophobicContact CE1-CZ 4.4Å; Y1051-F1068 AromaticContact CG-CE1 3.6Å; Y1051-F1068 HydrophobicContact CG-CE1 3.6Å; Y1051-F1068 AromaticContact CG-CZ 3.73Å; Y1051-F1068 HydrophobicContact CG-CZ 3.73Å; V1054-F1068 HydrophobicContact CB-CE2 4.39Å; V1054-F1068 HydrophobicContact CB-CZ 4.18Å; V1054-F1068 HydrophobicContact CG1-CE2 3.69Å; V1054-F1068 HydrophobicContact CG1-CZ 3.99Å; V1054-F1068 HydrophobicContact CG2-CZ 4.38Å; M1060-F1068 HydrophobicContact CE-CB 3.4Å; M1060-F1068 HydrophobicContact CE-CD1 4.31Å; M1060-F1068 HydrophobicContact CE-CD2 3.95Å; M1060-F1068 HydrophobicContact CE-CG 3.66Å; D1064-F1068 WeakPolarHBondContact O-CB 3.48Å; D1064-F1068 PolarHBondContact O-N 3.13Å; I1065-F1068 PolarHBondContact O-N 3.27Å; F1068-N1070 VanDerWaalsContact C-N 3.3Å; F1068-N1070 PolarHBondContact O-N 2.74Å; F1068-E1071 PolarHBondContact O-N 3.13Å; F1068-I1072 HydrophobicContact CD1-CD1 3.78Å; F1068-I1072 HydrophobicContact CD2-CD1 3.68Å; F1068-I1072 HydrophobicContact CE1-CD1 3.39Å; F1068-I1072 HydrophobicContact CE2-CD1 3.29Å; F1068-I1072 HydrophobicContact CG-CD1 3.91Å; F1068-I1072 HydrophobicContact CZ-CD1 3.14Å; F1068-I1072 PolarHBondContact O-N 3.36Å
1069	F	91.6	Very high	87	Confident	3 Å²	3	48.5 Å²	48.5	1%	0.013	25%	0.245	C	C	.	.	H	α-helix	trans	-71.3	-23.8	176	-77.9	-68.5	0	0	0	113.2	F1003 R1006 W1007 L1047 Y1051 I1055 I1065 A1073	F1003-F1069 HydrophobicContact CD2-CD2 4.28Å; F1003-F1069 HydrophobicContact CE2-CD2 4.39Å; F1003-F1069 HydrophobicContact CE2-CE2 4.21Å; R1006-F1069 PolarHBondContact NH2-O 3.39Å; W1007-F1069 HydrophobicContact CH2-CD1 4.28Å; W1007-F1069 HydrophobicContact CH2-CD2 4.22Å; W1007-F1069 HydrophobicContact CH2-CE1 4.06Å; W1007-F1069 AromaticContact CH2-CE2 4Å; W1007-F1069 HydrophobicContact CH2-CE2 4Å; W1007-F1069 HydrophobicContact CH2-CG 4.36Å; W1007-F1069 AromaticContact CH2-CZ 3.92Å; W1007-F1069 HydrophobicContact CH2-CZ 3.92Å; W1007-F1069 HydrophobicContact CZ2-CB 4.18Å; W1007-F1069 AromaticContact CZ2-CD1 3.64Å; W1007-F1069 HydrophobicContact CZ2-CD1 3.64Å; W1007-F1069 AromaticContact CZ2-CD2 3.87Å; W1007-F1069 HydrophobicContact CZ2-CD2 3.87Å; W1007-F1069 AromaticContact CZ2-CE1 3.87Å; W1007-F1069 HydrophobicContact CZ2-CE1 3.87Å; W1007-F1069 HydrophobicContact CZ2-CE2 4.1Å; W1007-F1069 AromaticContact CZ2-CG 3.64Å; W1007-F1069 HydrophobicContact CZ2-CG 3.64Å; W1007-F1069 HydrophobicContact CZ2-CZ 4.11Å; L1047-F1069 HydrophobicContact CB-CE1 4.23Å; Y1051-F1069 AromaticContact CD2-CE1 3.65Å; Y1051-F1069 HydrophobicContact CD2-CE1 3.65Å; Y1051-F1069 HydrophobicContact CD2-CZ 4.04Å; Y1051-F1069 HydrophobicContact CE2-CE1 4.11Å; I1055-F1069 HydrophobicContact CD1-CE2 4.39Å; I1065-F1069 HydrophobicContact CG2-CD2 3.77Å; I1065-F1069 HydrophobicContact CG2-CE2 3.82Å; I1065-F1069 WeakPolarHBondContact O-CD2 3.4Å; I1065-F1069 PolarHBondContact O-N 3.02Å; F1069-A1073 PolarHBondContact O-N 3.17Å
1070	N	89.9	Confident	87.7	Confident	72 Å²	72	47.3 Å²	47.3	39%	0.385	24%	0.242	S	C	.	.	H	α-helix	trans	-69.6	-33.8	169.2	-70	-26.6	0	0	0	112.5	R1006 L1066 K1067 F1068	R1006-N1070 VanDerWaalsContact CZ-OD1 3.27Å; R1006-N1070 PolarHBondContact NH1-OD1 3.23Å; L1066-N1070 WeakPolarHBondContact O-CB 3.49Å; L1066-N1070 PolarHBondContact O-N 3.26Å; L1066-N1070 PolarHBondContact O-ND2 3.45Å; L1066-N1070 VanDerWaalsContact O-ND2 3.11Å; K1067-N1070 WeakPolarHBondContact O-CB 3.09Å; K1067-N1070 PolarHBondContact O-N 3.2Å; K1067-N1070 VanDerWaalsContact O-N 3.15Å; F1068-N1070 VanDerWaalsContact C-N 3.3Å; F1068-N1070 PolarHBondContact O-N 2.74Å
1071	E	89.9	Confident	88.5	Confident	52 Å²	52	46.9 Å²	46.9	24%	0.243	24%	0.24	C	C	.	.	H	α-helix	trans	-82.1	-30.4	-178.5	-74.5	174.3	-175.7	0	0	113.7	H247 A248 K1067 F1068	H247-E1071 VanDerWaalsContact CD2-CD 3.43Å; H247-E1071 IonicContact CD2-OE1 3.8Å; H247-E1071 IonicContact CD2-OE2 3.5Å; H247-E1071 PolarHBondContact CD2-OE2 3.5Å; H247-E1071 VanDerWaalsContact CD2-OE2 3.3Å; H247-E1071 IonicContact CG-OE2 2.86Å; H247-E1071 IonicContact NE2-OE2 2.64Å; A248-E1071 HydrophobicContact CB-CB 3.6Å; A248-E1071 WeakPolarHBondContact CB-OE2 3.19Å; A248-E1071 PolarHBondContact N-OE2 2.89Å; K1067-E1071 WeakPolarHBondContact CE-OE1 3.4Å; K1067-E1071 WeakPolarHBondContact CG-OE1 3.1Å; K1067-E1071 IonicContact NZ-OE1 2.67Å; K1067-E1071 WeakPolarHBondContact O-CG 3.37Å; K1067-E1071 PolarHBondContact O-N 3.23Å; F1068-E1071 PolarHBondContact O-N 3.13Å
1072	I	90.2	Very high	89.3	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	23%	0.225	C	C	.	.	S	Bend	trans	-91.8	0.3	177.4	-57.6	153.4	0	0	0	112.3	A248 I252 Y1051 F1068 E1074 H1075	A248-I1072 HydrophobicContact CB-CD1 3.59Å; A248-I1072 HydrophobicContact CB-CG1 3.51Å; I252-I1072 HydrophobicContact CD1-CD1 3.52Å; I252-I1072 HydrophobicContact CD1-CG1 3.96Å; I252-I1072 HydrophobicContact CD1-CG2 4.45Å; I252-I1072 HydrophobicContact CG1-CD1 4.34Å; Y1051-I1072 HydrophobicContact CE1-CD1 4.41Å; F1068-I1072 HydrophobicContact CD1-CD1 3.78Å; F1068-I1072 HydrophobicContact CD2-CD1 3.68Å; F1068-I1072 HydrophobicContact CE1-CD1 3.39Å; F1068-I1072 HydrophobicContact CE2-CD1 3.29Å; F1068-I1072 HydrophobicContact CG-CD1 3.91Å; F1068-I1072 HydrophobicContact CZ-CD1 3.14Å; F1068-I1072 PolarHBondContact O-N 3.36Å; I1072-E1074 PolarHBondContact O-N 3.33Å; I1072-H1075 HydrophobicContact CG2-CB 4.07Å; I1072-H1075 WeakPolarHBondContact O-CB 3.18Å; I1072-H1075 PolarHBondContact O-N 3.46Å
1073	A	89.7	Confident	89.9	Confident	19 Å²	19	44.4 Å²	44.4	16%	0.157	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.9	136.3	171.9	0	0	0	0	0	111.1	R1014 F1069 H1075	R1014-A1073 WeakPolarHBondContact O-CB 3.2Å; F1069-A1073 PolarHBondContact O-N 3.17Å; A1073-H1075 PolarHBondContact O-N 3.44Å; A1073-H1075 PolarHBondContact O-ND1 3.18Å
1074	E	90	Very high	90.5	Very high	78 Å²	78	42 Å²	42	36%	0.364	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	-0.1	-176.5	-58.5	-179	158	0	0	115.6	K1013 E1015 N1017 I1072	K1013-E1074 IonicContact NZ-OE1 3.77Å; E1015-E1074 WeakPolarHBondContact O-CA 3.33Å; E1015-E1074 PolarHBondContact O-N 3.38Å; N1017-E1074 PolarHBondContact ND2-O 3.3Å; I1072-E1074 PolarHBondContact O-N 3.33Å
1075	H	88.9	Confident	91	Very high	128 Å²	128	40 Å²	40	59%	0.593	20%	0.202	S	C	*	.			trans	-112	10.6	179.5	-58.9	77.6	0	0	0	114.2	I1072 A1073	I1072-H1075 HydrophobicContact CG2-CB 4.07Å; I1072-H1075 WeakPolarHBondContact O-CB 3.18Å; I1072-H1075 PolarHBondContact O-N 3.46Å; A1073-H1075 PolarHBondContact O-N 3.44Å; A1073-H1075 PolarHBondContact O-ND1 3.18Å
1076	H	91.4	Very high	91.3	Very high	7 Å²	7	40.1 Å²	40.1	3%	0.032	20%	0.202	C	C	.	.			trans	-78.6	133.8	177.2	-61.4	-47.9	0	0	0	112.1	E1015 F1016 L1047 Y1051 V1078	E1015-H1076 PolarHBondContact O-CD2 3.13Å; F1016-H1076 HydrophobicContact CD1-CB 4.13Å; F1016-H1076 HydrophobicContact CE1-CB 3.49Å; F1016-H1076 VanDerWaalsContact CE1-CB 3.49Å; F1016-H1076 HydrophobicContact CZ-CB 4.03Å; L1047-H1076 HydrophobicContact CD2-CB 4.35Å; Y1051-H1076 AromaticContact CE2-CE1 3.66Å; Y1051-H1076 AromaticContact CE2-ND1 3.46Å; Y1051-H1076 WeakPolarHBondContact CE2-ND1 3.17Å; Y1051-H1076 AromaticContact CZ-ND1 3.61Å; Y1051-H1076 PolarHBondContact OH-ND1 3Å; H1076-V1078 PolarHBondContact O-N 3.26Å; H1076-V1078 VanDerWaalsContact O-N 3.16Å
1077	N	91.7	Very high	91.5	Very high	83 Å²	83	39.8 Å²	39.8	44%	0.444	20%	0.198	S	C	.	.			trans	-74.3	106.1	172	-173.5	-54.9	0	0	0	110.5	E1079 D1080 I1081	N1077-E1079 VanDerWaalsContact C-N 3.33Å; N1077-E1079 PolarHBondContact O-N 3.31Å; N1077-E1079 PolarHBondContact OD1-N 2.79Å; N1077-E1079 VanDerWaalsContact OD1-N 3.08Å; N1077-D1080 HydrophobicContact CB-CB 4.18Å; N1077-D1080 PolarHBondContact O-N 3.19Å; N1077-D1080 PolarHBondContact OD1-N 3.08Å; N1077-I1081 VanDerWaalsContact O-CG1 3.31Å; N1077-I1081 WeakPolarHBondContact O-CG1 3.35Å; N1077-I1081 PolarHBondContact O-N 3.36Å
1078	V	92.9	Very high	91.7	Very high	9 Å²	9	37 Å²	37	6%	0.055	19%	0.186	C	C	.	.	H	α-helix	trans	-55.7	-44.8	-178.1	179.7	0	0	0	0	112.6	F1016 D1020 I1024 H1076 I1081 L1082	F1016-V1078 HydrophobicContact CD1-CG2 3.71Å; F1016-V1078 HydrophobicContact CE1-CG2 3.9Å; D1020-V1078 HydrophobicContact CB-CG2 3.39Å; D1020-V1078 VanDerWaalsContact CG-CG2 3.43Å; D1020-V1078 WeakPolarHBondContact OD1-CG2 3.4Å; I1024-V1078 HydrophobicContact CD1-CG1 4.2Å; I1024-V1078 HydrophobicContact CD1-CG2 4.33Å; I1024-V1078 HydrophobicContact CG1-CG1 3.93Å; H1076-V1078 PolarHBondContact O-N 3.26Å; H1076-V1078 VanDerWaalsContact O-N 3.16Å; V1078-I1081 PolarHBondContact O-N 3.45Å; V1078-L1082 HydrophobicContact CG1-CD1 3.61Å; V1078-L1082 HydrophobicContact CG1-CG 3.96Å; V1078-L1082 WeakPolarHBondContact O-CB 3.21Å; V1078-L1082 VanDerWaalsContact O-CG 3.29Å; V1078-L1082 WeakPolarHBondContact O-CG 3.43Å; V1078-L1082 PolarHBondContact O-N 3.24Å
1079	E	91.5	Very high	91.8	Very high	77 Å²	77	36.9 Å²	36.9	36%	0.36	19%	0.186	S	C	.	.	H	α-helix	trans	-69.8	-40.2	-173.6	-168.6	56.5	-134.8	0	0	111.4	Q1023 N1077 N1083 R1086	Q1023-E1079 PolarHBondContact NE2-OE2 2.99Å; N1077-E1079 VanDerWaalsContact C-N 3.33Å; N1077-E1079 PolarHBondContact O-N 3.31Å; N1077-E1079 PolarHBondContact OD1-N 2.79Å; N1077-E1079 VanDerWaalsContact OD1-N 3.08Å; E1079-N1083 VanDerWaalsContact O-CB 3.32Å; E1079-N1083 WeakPolarHBondContact O-CB 3.44Å; E1079-N1083 VanDerWaalsContact O-CG 3.31Å; E1079-N1083 PolarHBondContact O-N 3.42Å; E1079-N1083 PolarHBondContact O-ND2 2.79Å; E1079-N1083 PolarHBondContact OE1-ND2 2.91Å; E1079-R1086 IonicContact OE1-NH1 2.71Å; E1079-R1086 PolarHBondContact OE1-NH1 3.48Å
1080	D	92	Very high	91.6	Very high	62 Å²	62	41 Å²	41	33%	0.332	20%	0.203	S	C	.	.	H	α-helix	trans	-64.5	-43.2	173.8	-68.4	-32	0	0	0	110.7	R304 N1077 L1084	R304-D1080 IonicContact NH2-OD1 2.73Å; N1077-D1080 HydrophobicContact CB-CB 4.18Å; N1077-D1080 PolarHBondContact O-N 3.19Å; N1077-D1080 PolarHBondContact OD1-N 3.08Å; D1080-L1084 VanDerWaalsContact O-CB 3.25Å; D1080-L1084 WeakPolarHBondContact O-CB 3.28Å; D1080-L1084 PolarHBondContact O-N 3.25Å
1081	I	94.7	Very high	91.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65	-46.5	177.5	-66.9	-61.1	0	0	0	112.2	F1016 I1043 A1046 L1047 N1050 N1077 V1078 L1084 A1085	F1016-I1081 HydrophobicContact CZ-CG2 4.47Å; I1043-I1081 HydrophobicContact CG2-CG2 4.14Å; A1046-I1081 HydrophobicContact CB-CG2 4.12Å; A1046-I1081 WeakPolarHBondContact CB-O 3.07Å; L1047-I1081 HydrophobicContact CD2-CD1 3.86Å; L1047-I1081 HydrophobicContact CD2-CG1 4.1Å; L1047-I1081 HydrophobicContact CD2-CG2 4.44Å; L1047-I1081 HydrophobicContact CG-CD1 4.34Å; L1047-I1081 HydrophobicContact CG-CG2 4.36Å; N1050-I1081 HydrophobicContact CB-CD1 3.66Å; N1077-I1081 VanDerWaalsContact O-CG1 3.31Å; N1077-I1081 WeakPolarHBondContact O-CG1 3.35Å; N1077-I1081 PolarHBondContact O-N 3.36Å; V1078-I1081 PolarHBondContact O-N 3.45Å; I1081-L1084 PolarHBondContact O-N 2.78Å; I1081-A1085 WeakPolarHBondContact O-CB 3.33Å; I1081-A1085 PolarHBondContact O-N 3.41Å
1082	L	94.4	Very high	91.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.7	-42.8	178.9	-72.6	-179.4	0	0	0	111.4	Q1023 I1024 V1027 I1043 V1078 L1084 A1085 R1086	Q1023-L1082 HydrophobicContact CG-CD1 4.08Å; I1024-L1082 HydrophobicContact CG1-CD2 4.31Å; V1027-L1082 HydrophobicContact CB-CD2 4.32Å; V1027-L1082 HydrophobicContact CG1-CD2 4.02Å; V1027-L1082 HydrophobicContact CG2-CD1 4.12Å; I1043-L1082 HydrophobicContact CD1-CD2 4.22Å; V1078-L1082 HydrophobicContact CG1-CD1 3.61Å; V1078-L1082 HydrophobicContact CG1-CG 3.96Å; V1078-L1082 WeakPolarHBondContact O-CB 3.21Å; V1078-L1082 VanDerWaalsContact O-CG 3.29Å; V1078-L1082 WeakPolarHBondContact O-CG 3.43Å; V1078-L1082 PolarHBondContact O-N 3.24Å; L1082-L1084 VanDerWaalsContact C-N 3.31Å; L1082-L1084 PolarHBondContact O-N 2.84Å; L1082-A1085 PolarHBondContact O-N 3.3Å; L1082-R1086 WeakPolarHBondContact O-CB 3.31Å; L1082-R1086 WeakPolarHBondContact O-CG 3.45Å; L1082-R1086 PolarHBondContact O-N 2.95Å
1083	N	92.6	Very high	91.3	Very high	59 Å²	59	38.7 Å²	38.7	32%	0.316	19%	0.191	S	C	.	.	H	α-helix	trans	-63.7	-38.2	176.3	-76.2	-46.1	0	0	0	112.5	E1079 R1086 H1087	E1079-N1083 VanDerWaalsContact O-CB 3.32Å; E1079-N1083 WeakPolarHBondContact O-CB 3.44Å; E1079-N1083 VanDerWaalsContact O-CG 3.31Å; E1079-N1083 PolarHBondContact O-N 3.42Å; E1079-N1083 PolarHBondContact O-ND2 2.79Å; E1079-N1083 PolarHBondContact OE1-ND2 2.91Å; N1083-R1086 PolarHBondContact OD1-NH1 2.97Å; N1083-H1087 VanDerWaalsContact O-CB 3.31Å; N1083-H1087 WeakPolarHBondContact O-CB 3.28Å; N1083-H1087 PolarHBondContact O-N 3.26Å
1084	L	92.9	Very high	91.1	Very high	47 Å²	47	45 Å²	45	25%	0.246	22%	0.215	C	C	.	.	H	α-helix	trans	-71.3	-35.7	177.4	-159.7	147.9	0	0	0	111.6	A1046 Q1049 D1080 I1081 L1082 H1087 F1088	A1046-L1084 HydrophobicContact CB-CB 4.23Å; A1046-L1084 HydrophobicContact CB-CD2 3.64Å; Q1049-L1084 HydrophobicContact CB-CD2 3.9Å; Q1049-L1084 HydrophobicContact CG-CD2 4.41Å; D1080-L1084 VanDerWaalsContact O-CB 3.25Å; D1080-L1084 WeakPolarHBondContact O-CB 3.28Å; D1080-L1084 PolarHBondContact O-N 3.25Å; I1081-L1084 PolarHBondContact O-N 2.78Å; L1082-L1084 VanDerWaalsContact C-N 3.31Å; L1082-L1084 PolarHBondContact O-N 2.84Å; L1084-H1087 WeakPolarHBondContact O-CB 2.99Å; L1084-H1087 PolarHBondContact O-N 3.21Å; L1084-F1088 HydrophobicContact CD2-CD2 3.61Å; L1084-F1088 HydrophobicContact CD2-CE2 3.21Å; L1084-F1088 HydrophobicContact CD2-CZ 4.03Å; L1084-F1088 HydrophobicContact CG-CE2 4.45Å; L1084-F1088 WeakPolarHBondContact O-CD2 3.46Å; L1084-F1088 PolarHBondContact O-N 3.13Å
1085	A	95.1	Very high	90.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.6	-48.1	170.8	0	0	0	0	0	112.4	F1039 F1042 I1043 A1046 I1081 L1082 H1087 F1088 A1089	F1039-A1085 HydrophobicContact CE1-CB 4.17Å; F1039-A1085 HydrophobicContact CZ-CB 3.78Å; F1042-A1085 HydrophobicContact CB-CB 4.1Å; F1042-A1085 WeakPolarHBondContact O-CB 3.27Å; I1043-A1085 HydrophobicContact CG1-CB 4.1Å; A1046-A1085 HydrophobicContact CB-CB 3.91Å; I1081-A1085 WeakPolarHBondContact O-CB 3.33Å; I1081-A1085 PolarHBondContact O-N 3.41Å; L1082-A1085 PolarHBondContact O-N 3.3Å; A1085-H1087 VanDerWaalsContact C-N 3.26Å; A1085-H1087 PolarHBondContact O-N 2.87Å; A1085-F1088 PolarHBondContact O-N 2.82Å; A1085-A1089 PolarHBondContact O-N 3.04Å
1086	R	93.2	Very high	90.6	Very high	5 Å²	5	36.6 Å²	36.6	2%	0.019	18%	0.177	C	C	.	.	H	α-helix	trans	-56.9	-40	173.6	-69	169.9	-173.5	136.4	-2.1	111.1	F708 Y742 Y743 F1039 E1079 L1082 N1083 K1090	F708-R1086 HydrophobicContact CE1-CB 4.15Å; Y742-R1086 HydrophobicContact CE1-CG 4.28Å; Y742-R1086 HydrophobicContact CE2-CG 4.34Å; Y742-R1086 VanDerWaalsContact O-CZ 3.31Å; Y742-R1086 PolarHBondContact O-NE 3.46Å; Y742-R1086 PolarHBondContact O-NH2 3.06Å; Y743-R1086 PolarHBondContact O-NH2 2.68Å; F1039-R1086 HydrophobicContact CZ-CG 4.25Å; E1079-R1086 IonicContact OE1-NH1 2.71Å; E1079-R1086 PolarHBondContact OE1-NH1 3.48Å; L1082-R1086 WeakPolarHBondContact O-CB 3.31Å; L1082-R1086 WeakPolarHBondContact O-CG 3.45Å; L1082-R1086 PolarHBondContact O-N 2.95Å; N1083-R1086 PolarHBondContact OD1-NH1 2.97Å; R1086-K1090 WeakPolarHBondContact O-CB 3.33Å; R1086-K1090 PolarHBondContact O-N 3.12Å; R1086-K1090 VanDerWaalsContact O-N 3.08Å
1087	H	91.5	Very high	89.9	Confident	64 Å²	64	39.4 Å²	39.4	30%	0.296	19%	0.192	S	C	.	.	H	α-helix	trans	-65	-47.4	177.1	-177	82.2	0	0	0	112.1	N1083 L1084 A1085 K1090 I1091	N1083-H1087 VanDerWaalsContact O-CB 3.31Å; N1083-H1087 WeakPolarHBondContact O-CB 3.28Å; N1083-H1087 PolarHBondContact O-N 3.26Å; L1084-H1087 WeakPolarHBondContact O-CB 2.99Å; L1084-H1087 PolarHBondContact O-N 3.21Å; A1085-H1087 VanDerWaalsContact C-N 3.26Å; A1085-H1087 PolarHBondContact O-N 2.87Å; H1087-K1090 WeakPolarHBondContact O-CB 3.31Å; H1087-K1090 PolarHBondContact O-N 3.49Å; H1087-I1091 WeakPolarHBondContact NE2-CD1 3.49Å; H1087-I1091 WeakPolarHBondContact O-CG1 3.32Å; H1087-I1091 PolarHBondContact O-N 3.47Å
1088	F	91.8	Very high	88.5	Confident	8 Å²	8	43.8 Å²	43.8	4%	0.035	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-42.6	176.4	-78.8	-46.2	0	0	0	113	L984 F1042 L1045 Q1049 L1084 A1085 K1090 I1091 V1092	L984-F1088 HydrophobicContact CB-CE1 4.48Å; L984-F1088 HydrophobicContact CD1-CD1 3.97Å; L984-F1088 HydrophobicContact CD1-CE1 4.34Å; F1042-F1088 HydrophobicContact CD1-CB 3.93Å; L1045-F1088 HydrophobicContact CB-CD2 4.44Å; L1045-F1088 HydrophobicContact CD1-CE2 4.44Å; L1045-F1088 HydrophobicContact CD2-CB 3.87Å; L1045-F1088 HydrophobicContact CD2-CD1 4.08Å; L1045-F1088 HydrophobicContact CD2-CD2 3.43Å; L1045-F1088 VanDerWaalsContact CD2-CD2 3.43Å; L1045-F1088 HydrophobicContact CD2-CE1 4.39Å; L1045-F1088 HydrophobicContact CD2-CE2 3.77Å; L1045-F1088 HydrophobicContact CD2-CG 3.57Å; L1045-F1088 HydrophobicContact CD2-CZ 4.22Å; L1045-F1088 HydrophobicContact CG-CD2 3.66Å; L1045-F1088 HydrophobicContact CG-CE2 3.58Å; L1045-F1088 HydrophobicContact CG-CG 4.3Å; L1045-F1088 HydrophobicContact CG-CZ 4.19Å; Q1049-F1088 HydrophobicContact CB-CE2 3.67Å; Q1049-F1088 HydrophobicContact CB-CZ 3.73Å; Q1049-F1088 HydrophobicContact CG-CE2 4.09Å; Q1049-F1088 HydrophobicContact CG-CZ 3.63Å; L1084-F1088 HydrophobicContact CD2-CD2 3.61Å; L1084-F1088 HydrophobicContact CD2-CE2 3.21Å; L1084-F1088 HydrophobicContact CD2-CZ 4.03Å; L1084-F1088 HydrophobicContact CG-CE2 4.45Å; L1084-F1088 WeakPolarHBondContact O-CD2 3.46Å; L1084-F1088 PolarHBondContact O-N 3.13Å; A1085-F1088 PolarHBondContact O-N 2.82Å; F1088-K1090 VanDerWaalsContact C-N 3.29Å; F1088-K1090 PolarHBondContact O-N 2.9Å; F1088-I1091 HydrophobicContact CD1-CD1 4.19Å; F1088-I1091 WeakPolarHBondContact O-CB 3.48Å; F1088-I1091 PolarHBondContact O-N 3.4Å; F1088-I1091 VanDerWaalsContact O-N 3.13Å; F1088-V1092 PolarHBondContact O-N 3.05Å
1089	A	91.1	Very high	86.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-56.3	-47.6	174.6	0	0	0	0	0	110.4	V1035 F1039 F1042 A1085 I1091 V1092 Q1093	V1035-A1089 HydrophobicContact CG1-CB 3.61Å; F1039-A1089 HydrophobicContact CE2-CB 4.02Å; F1042-A1089 HydrophobicContact CD1-CB 4Å; F1042-A1089 HydrophobicContact CD2-CB 4.05Å; F1042-A1089 HydrophobicContact CE1-CB 4.11Å; F1042-A1089 HydrophobicContact CE2-CB 4.16Å; F1042-A1089 HydrophobicContact CG-CB 3.96Å; F1042-A1089 HydrophobicContact CZ-CB 4.2Å; A1085-A1089 PolarHBondContact O-N 3.04Å; A1089-I1091 PolarHBondContact O-N 3.16Å; A1089-V1092 PolarHBondContact O-N 3.02Å; A1089-V1092 VanDerWaalsContact O-N 3.08Å; A1089-Q1093 WeakPolarHBondContact O-CG 3.29Å; A1089-Q1093 PolarHBondContact O-N 3.05Å
1090	K	88.3	Confident	83.9	Confident	88 Å²	88	52 Å²	52	38%	0.383	26%	0.257	S	S	.	.	H	α-helix	trans	-59	-38	175	-169.4	170.4	-171.9	165.3	0	113.7	F708 R1086 H1087 F1088 K1094	F708-K1090 HydrophobicContact CZ-CD 4.05Å; R1086-K1090 WeakPolarHBondContact O-CB 3.33Å; R1086-K1090 PolarHBondContact O-N 3.12Å; R1086-K1090 VanDerWaalsContact O-N 3.08Å; H1087-K1090 WeakPolarHBondContact O-CB 3.31Å; H1087-K1090 PolarHBondContact O-N 3.49Å; F1088-K1090 VanDerWaalsContact C-N 3.29Å; F1088-K1090 PolarHBondContact O-N 2.9Å; K1090-K1094 WeakPolarHBondContact O-CG 3.49Å; K1090-K1094 PolarHBondContact O-N 3.17Å
1091	I	88.4	Confident	81	Confident	34 Å²	34	56.9 Å²	56.9	17%	0.174	28%	0.278	C	S	.	.	H	α-helix	trans	-63.2	-47.5	172.6	-70.1	166.4	0	0	0	110.1	I277 L984 H1087 F1088 A1089 Q1093 K1094 L1095	I277-I1091 HydrophobicContact CD1-CD1 4.07Å; L984-I1091 HydrophobicContact CD2-CG2 3.65Å; H1087-I1091 WeakPolarHBondContact NE2-CD1 3.49Å; H1087-I1091 WeakPolarHBondContact O-CG1 3.32Å; H1087-I1091 PolarHBondContact O-N 3.47Å; F1088-I1091 HydrophobicContact CD1-CD1 4.19Å; F1088-I1091 WeakPolarHBondContact O-CB 3.48Å; F1088-I1091 PolarHBondContact O-N 3.4Å; F1088-I1091 VanDerWaalsContact O-N 3.13Å; A1089-I1091 PolarHBondContact O-N 3.16Å; I1091-Q1093 PolarHBondContact O-N 3.26Å; I1091-K1094 WeakPolarHBondContact O-CB 3.23Å; I1091-K1094 PolarHBondContact O-N 3.1Å; I1091-K1094 VanDerWaalsContact O-N 3.15Å; I1091-L1095 HydrophobicContact CG2-CD1 3.88Å; I1091-L1095 HydrophobicContact CG2-CG 4.29Å; I1091-L1095 WeakPolarHBondContact O-CG 3.23Å; I1091-L1095 PolarHBondContact O-N 3.23Å
1092	V	88.6	Confident	77.9	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.6	-42.6	-179.7	178	0	0	0	0	111.1	L693 V697 L980 L984 F1042 F1088 A1089 K1094 L1095 T1096	L693-V1092 HydrophobicContact CB-CG1 3.84Å; L693-V1092 HydrophobicContact CD1-CG1 4.04Å; L693-V1092 HydrophobicContact CD1-CG2 4.3Å; L693-V1092 HydrophobicContact CG-CG1 4.48Å; V697-V1092 HydrophobicContact CB-CG1 4.48Å; V697-V1092 HydrophobicContact CG2-CB 3.98Å; V697-V1092 HydrophobicContact CG2-CG1 3.61Å; L980-V1092 HydrophobicContact CD2-CG2 3.88Å; L984-V1092 HydrophobicContact CD1-CG2 4.21Å; F1042-V1092 HydrophobicContact CE1-CB 4.18Å; F1042-V1092 HydrophobicContact CE1-CG2 3.8Å; F1042-V1092 HydrophobicContact CZ-CB 4.22Å; F1042-V1092 HydrophobicContact CZ-CG2 4.25Å; F1088-V1092 PolarHBondContact O-N 3.05Å; A1089-V1092 PolarHBondContact O-N 3.02Å; A1089-V1092 VanDerWaalsContact O-N 3.08Å; V1092-K1094 VanDerWaalsContact C-N 3.28Å; V1092-K1094 PolarHBondContact O-N 2.96Å; V1092-L1095 PolarHBondContact O-N 3.05Å; V1092-L1095 VanDerWaalsContact O-N 3.1Å; V1092-T1096 HydrophobicContact CG1-CG2 4.03Å; V1092-T1096 WeakPolarHBondContact O-CG2 3.38Å; V1092-T1096 PolarHBondContact O-N 3.2Å; V1092-T1096 PolarHBondContact O-OG1 3.43Å
1093	Q	86.6	Confident	77.1	Confident	45 Å²	45	71.3 Å²	71.3	21%	0.21	35%	0.354	C	S	.	.	H	α-helix	trans	-57.7	-40.8	174.6	-29.7	-169.4	-92.5	0	0	112.1	V697 I698 A1089 I1091 T1096 N1097	V697-Q1093 HydrophobicContact CG1-CB 3.75Å; V697-Q1093 HydrophobicContact CG1-CG 3.5Å; V697-Q1093 HydrophobicContact CG2-CG 4.21Å; I698-Q1093 PolarHBondContact O-NE2 3.38Å; A1089-Q1093 WeakPolarHBondContact O-CG 3.29Å; A1089-Q1093 PolarHBondContact O-N 3.05Å; I1091-Q1093 PolarHBondContact O-N 3.26Å; Q1093-T1096 PolarHBondContact O-N 2.82Å; Q1093-T1096 PolarHBondContact O-OG1 3.28Å; Q1093-N1097 VanDerWaalsContact O-CB 3.27Å; Q1093-N1097 WeakPolarHBondContact O-CB 3.5Å; Q1093-N1097 PolarHBondContact O-N 3.1Å; Q1093-N1097 PolarHBondContact O-ND2 2.99Å; Q1093-N1097 PolarHBondContact O-OD1 3.15Å
1094	K	85.2	Confident	76.3	Confident	152 Å²	152	71.9 Å²	71.9	66%	0.661	36%	0.356	S	S	*	.	H	α-helix	trans	-64.6	-39.9	176.2	-74.4	-177.3	172.1	-163.3	0	112.9	K1090 I1091 V1092	K1090-K1094 WeakPolarHBondContact O-CG 3.49Å; K1090-K1094 PolarHBondContact O-N 3.17Å; I1091-K1094 WeakPolarHBondContact O-CB 3.23Å; I1091-K1094 PolarHBondContact O-N 3.1Å; I1091-K1094 VanDerWaalsContact O-N 3.15Å; V1092-K1094 VanDerWaalsContact C-N 3.28Å; V1092-K1094 PolarHBondContact O-N 2.96Å
1095	L	84.6	Confident	75.4	Confident	24 Å²	24	73.3 Å²	73.3	13%	0.126	36%	0.362	C	S	.	.	H	α-helix	trans	-70.8	-34.4	178.6	-68.8	173.2	0	0	0	112.4	R690 I983 L984 I1091 V1092	R690-L1095 WeakPolarHBondContact CG-O 3.34Å; I983-L1095 HydrophobicContact CG2-CD1 4.38Å; L984-L1095 HydrophobicContact CD2-CD1 4.28Å; I1091-L1095 HydrophobicContact CG2-CD1 3.88Å; I1091-L1095 HydrophobicContact CG2-CG 4.29Å; I1091-L1095 WeakPolarHBondContact O-CG 3.23Å; I1091-L1095 PolarHBondContact O-N 3.23Å; V1092-L1095 PolarHBondContact O-N 3.05Å; V1092-L1095 VanDerWaalsContact O-N 3.1Å
1096	T	83.8	Confident	74.2	Confident	5 Å²	5	77.6 Å²	77.6	3%	0.031	38%	0.384	C	S	.	.	H	α-helix	trans	-86.6	-26.6	-176.9	53.4	0	0	0	0	113.3	L693 H699 V1092 Q1093 K1098	L693-T1096 HydrophobicContact CB-CG2 3.57Å; H699-T1096 VanDerWaalsContact CE1-C 3.47Å; H699-T1096 VanDerWaalsContact CE1-CB 3.42Å; H699-T1096 WeakPolarHBondContact CE1-CB 3.38Å; H699-T1096 PolarHBondContact CE1-OG1 3.26Å; H699-T1096 PolarHBondContact NE2-OG1 3.12Å; V1092-T1096 HydrophobicContact CG1-CG2 4.03Å; V1092-T1096 WeakPolarHBondContact O-CG2 3.38Å; V1092-T1096 PolarHBondContact O-N 3.2Å; V1092-T1096 PolarHBondContact O-OG1 3.43Å; Q1093-T1096 PolarHBondContact O-N 2.82Å; Q1093-T1096 PolarHBondContact O-OG1 3.28Å; T1096-K1098 PolarHBondContact O-N 3.05Å
1097	N	76.5	Confident	73	Confident	66 Å²	66	82.2 Å²	82.2	35%	0.353	41%	0.406	S	S	.	.			trans	-57.6	125.1	177.9	-84	-5	0	0	0	111.4	H699 Q1093 T1099	H699-N1097 PolarHBondContact CE1-OD1 3.39Å; H699-N1097 PolarHBondContact ND1-OD1 2.68Å; Q1093-N1097 VanDerWaalsContact O-CB 3.27Å; Q1093-N1097 WeakPolarHBondContact O-CB 3.5Å; Q1093-N1097 PolarHBondContact O-N 3.1Å; Q1093-N1097 PolarHBondContact O-ND2 2.99Å; Q1093-N1097 PolarHBondContact O-OD1 3.15Å; N1097-T1099 VanDerWaalsContact C-N 3.35Å; N1097-T1099 PolarHBondContact O-N 3.06Å; N1097-T1099 VanDerWaalsContact O-N 3.13Å
1098	K	63.2	Low	71.8	Confident	174 Å²	174	83.4 Å²	83.4	76%	0.757	41%	0.414	S	S	*	.			trans	-82.1	78.8	169.8	-66	-179.6	-178.1	176.4	0	109.7	T1096 N1100	T1096-K1098 PolarHBondContact O-N 3.05Å; K1098-N1100 PolarHBondContact O-N 3.34Å
1099	T	50.6	Low	70.4	Confident	107 Å²	107	88.8 Å²	88.8	66%	0.656	44%	0.441	S	S	*	.			trans	-70.4	86.3	164.3	47.8	0	0	0	0	109	N1097 E1101	N1097-T1099 VanDerWaalsContact C-N 3.35Å; N1097-T1099 PolarHBondContact O-N 3.06Å; N1097-T1099 VanDerWaalsContact O-N 3.13Å; T1099-E1101 PolarHBondContact O-N 3.27Å
1100	N	36.3	Very low	68.8	Low	152 Å²	152	95.6 Å²	95.6	81%	0.813	48%	0.475	S	S	*	.			trans	-73.7	39.7	163.6	-77.8	-2.3	0	0	0	110.6	K1098	K1098-N1100 PolarHBondContact O-N 3.34Å
1101	E	32.3	Very low	67.2	Low	164 Å²	164	96.3 Å²	96.3	77%	0.766	48%	0.482	S	S	*	.			trans	-132.4	63.9	-173.2	-67.9	-168.5	152.8	0	0	110.1	T1099	T1099-E1101 PolarHBondContact O-N 3.27Å
1102	N	29.8	Very low	65.2	Low	232 Å²	232	101.9 Å²	101.9	100%	1.241	51%	0.51	S	S	*	.			trans	165.6	0	140.7	-81.3	-30.8	0	0	0	110.7

Retrieved 1,102 of 1,102 residues in 506.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).