A0A077YVU8_TRITR Loading...

Guanine nucleotide binding protein subunit

AlphaFold DB , UniProt , Accession A0A077YVU8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 355 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.7	Very low	44	Very low	244 Å²	244	134 Å²	134	100%	1.202	78%	0.779	S	S	*	*				0	95.5	0	-81	178.1	-101.6	0	0	107.6
2	C	37.4	Very low	44.7	Very low	139 Å²	139	136.8 Å²	136.8	94%	0.939	78%	0.775	S	S	*	*			trans	-71.8	127.2	177.8	-130.1	0	0	0	0	108.6
3	S	45.1	Very low	44.9	Very low	92 Å²	92	140.2 Å²	140.2	64%	0.643	77%	0.768	S	S	*	*			trans	-73.3	134.9	-167.5	54.7	0	0	0	0	113.4	S5	S3-S5 PolarHBondContact O-N 2.92Å
4	L	42.6	Very low	45.6	Very low	173 Å²	173	137.9 Å²	137.9	91%	0.906	75%	0.754	S	S	*	*	S	Bend	trans	-66.1	26.9	177.9	-91.8	144.4	0	0	0	115.9
5	S	47.5	Very low	47.3	Very low	103 Å²	103	135.6 Å²	135.6	72%	0.72	74%	0.74	S	S	*	*			trans	-96.8	3.4	-168.4	61.1	0	0	0	0	116.6	S3	S3-S5 PolarHBondContact O-N 2.92Å
6	S	45	Very low	49.1	Very low	102 Å²	102	132.4 Å²	132.4	71%	0.713	72%	0.722	S	S	*	*	S	Bend	trans	-113.2	-0.3	-175	58.6	0	0	0	0	117.3
7	L	43.7	Very low	50.5	Low	137 Å²	137	128.9 Å²	128.9	72%	0.717	71%	0.71	S	S	*	*			trans	-105.4	2	-174.3	-76.3	161	0	0	0	116	C9	L7-C9 PolarHBondContact O-N 3.15Å; L7-C9 VanDerWaalsContact O-N 3.15Å
8	L	45.2	Very low	52	Low	160 Å²	160	129.4 Å²	129.4	84%	0.838	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	11.8	178.8	-82.9	162.6	0	0	0	115
9	C	45.7	Very low	53.5	Low	83 Å²	83	127.4 Å²	127.4	56%	0.561	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-17.5	-176.7	-157.4	0	0	0	0	114.5	L7	L7-C9 PolarHBondContact O-N 3.15Å; L7-C9 VanDerWaalsContact O-N 3.15Å
10	E	48.2	Very low	54.8	Low	141 Å²	141	128.7 Å²	128.7	66%	0.659	69%	0.686	S	S	*	*	H	α-helix	trans	-76	-31.6	-174.2	-73.9	-177.4	161.5	0	0	114.7	K12 W13 L14	E10-K12 PolarHBondContact O-N 3.41Å; E10-W13 PolarHBondContact O-N 3.41Å; E10-L14 PolarHBondContact O-N 3.43Å
11	C	48.1	Very low	56.1	Low	100 Å²	100	125.4 Å²	125.4	68%	0.676	67%	0.674	S	S	*	*	H	α-helix	trans	-68.1	-32.8	-176.1	-71.2	0	0	0	0	113.9	L14 D15	C11-L14 PolarHBondContact O-N 3.08Å; C11-D15 PolarHBondContact O-N 3.18Å
12	K	51.9	Low	58.3	Low	167 Å²	167	121.1 Å²	121.1	73%	0.726	65%	0.648	S	S	*	*	H	α-helix	trans	-66.4	-38.3	178.8	-79.9	-173.6	176	-179.6	0	112.1	E10 D16	E10-K12 PolarHBondContact O-N 3.41Å; K12-D16 WeakPolarHBondContact O-CB 3.43Å; K12-D16 PolarHBondContact O-N 3.46Å; K12-D16 VanDerWaalsContact O-N 3.08Å
13	W	48.1	Very low	60.5	Low	181 Å²	181	120.7 Å²	120.7	69%	0.686	63%	0.63	S	S	*	*	H	α-helix	trans	-66.7	-38.9	178.1	-69	102.1	0	0	0	112.7	E10 S17	E10-W13 PolarHBondContact O-N 3.41Å; W13-S17 VanDerWaalsContact O-CB 3.28Å; W13-S17 WeakPolarHBondContact O-CB 3.18Å; W13-S17 PolarHBondContact O-N 3.01Å
14	L	54.6	Low	62.2	Low	109 Å²	109	120.6 Å²	120.6	57%	0.571	62%	0.622	S	S	*	*	H	α-helix	trans	-68.1	-39.5	178.5	-79.5	158.9	0	0	0	112.5	E10 C11 K18	E10-L14 PolarHBondContact O-N 3.43Å; C11-L14 PolarHBondContact O-N 3.08Å; L14-K18 WeakPolarHBondContact O-CG 3.49Å; L14-K18 PolarHBondContact O-N 3.1Å; L14-K18 VanDerWaalsContact O-N 3.1Å
15	D	70.2	Confident	64.1	Low	103 Å²	103	116.4 Å²	116.4	55%	0.551	60%	0.6	S	S	*	*	H	α-helix	trans	-71.7	-43.3	179.3	-157.5	15.1	0	0	0	111.4	C11 S17 K18 L19	C11-D15 PolarHBondContact O-N 3.18Å; D15-S17 VanDerWaalsContact C-N 3.3Å; D15-S17 PolarHBondContact O-N 3.4Å; D15-K18 PolarHBondContact O-N 3.5Å; D15-L19 WeakPolarHBondContact O-CB 3.41Å; D15-L19 PolarHBondContact O-N 2.85Å
16	D	76.1	Confident	65.7	Low	84 Å²	84	117.7 Å²	117.7	45%	0.449	60%	0.595	S	S	.	*	H	α-helix	trans	-59.5	-40.1	172.8	-92.5	5.6	0	0	0	112.1	K12 L19 R20	K12-D16 WeakPolarHBondContact O-CB 3.43Å; K12-D16 PolarHBondContact O-N 3.46Å; K12-D16 VanDerWaalsContact O-N 3.08Å; D16-L19 PolarHBondContact O-N 3.36Å; D16-R20 WeakPolarHBondContact O-CB 3.28Å; D16-R20 WeakPolarHBondContact O-CG 3.49Å; D16-R20 PolarHBondContact O-N 2.88Å
17	S	73.7	Confident	67.4	Low	73 Å²	73	118.8 Å²	118.8	51%	0.51	59%	0.589	S	S	.	*	H	α-helix	trans	-63.8	-44.7	176.9	-178.6	0	0	0	0	112	W13 D15 L19 R20 S21	W13-S17 VanDerWaalsContact O-CB 3.28Å; W13-S17 WeakPolarHBondContact O-CB 3.18Å; W13-S17 PolarHBondContact O-N 3.01Å; D15-S17 VanDerWaalsContact C-N 3.3Å; D15-S17 PolarHBondContact O-N 3.4Å; S17-L19 PolarHBondContact O-N 3.44Å; S17-R20 PolarHBondContact O-N 3.35Å; S17-S21 WeakPolarHBondContact O-CB 3.35Å; S17-S21 PolarHBondContact O-N 2.89Å
18	K	77.9	Confident	68.8	Low	139 Å²	139	116 Å²	116	60%	0.604	57%	0.574	S	S	*	*	H	α-helix	trans	-64.9	-39.7	175.5	-75.5	179.2	-178.6	175.8	0	112	L14 D15 S21 K22	L14-K18 WeakPolarHBondContact O-CG 3.49Å; L14-K18 PolarHBondContact O-N 3.1Å; L14-K18 VanDerWaalsContact O-N 3.1Å; D15-K18 PolarHBondContact O-N 3.5Å; K18-S21 PolarHBondContact O-N 2.99Å; K18-K22 WeakPolarHBondContact O-CB 3.47Å; K18-K22 WeakPolarHBondContact O-CG 3.47Å; K18-K22 PolarHBondContact O-N 3.24Å
19	L	80.3	Confident	70.1	Confident	90 Å²	90	115.1 Å²	115.1	47%	0.471	56%	0.563	S	S	.	*	H	α-helix	trans	-65.8	-41	177.2	-135.6	102.2	0	0	0	111.3	D15 D16 S17 K23	D15-L19 WeakPolarHBondContact O-CB 3.41Å; D15-L19 PolarHBondContact O-N 2.85Å; D16-L19 PolarHBondContact O-N 3.36Å; S17-L19 PolarHBondContact O-N 3.44Å; L19-K23 WeakPolarHBondContact O-CB 3.36Å; L19-K23 WeakPolarHBondContact O-CG 3.3Å; L19-K23 PolarHBondContact O-N 2.96Å
20	R	79.2	Confident	71.5	Confident	153 Å²	153	118.3 Å²	118.3	58%	0.577	57%	0.567	S	S	*	*	H	α-helix	trans	-63	-47.7	173.1	-73.6	172	-167	-161.7	5.3	111.5	D16 S17 K22 K23 I24	D16-R20 WeakPolarHBondContact O-CB 3.28Å; D16-R20 WeakPolarHBondContact O-CG 3.49Å; D16-R20 PolarHBondContact O-N 2.88Å; S17-R20 PolarHBondContact O-N 3.35Å; R20-K22 PolarHBondContact O-N 2.87Å; R20-K23 PolarHBondContact O-N 3.18Å; R20-I24 VanDerWaalsContact O-CG1 3.25Å; R20-I24 WeakPolarHBondContact O-CG1 3.39Å; R20-I24 PolarHBondContact O-N 3.32Å
21	S	81.5	Confident	72.3	Confident	61 Å²	61	117.5 Å²	117.5	43%	0.427	56%	0.564	S	S	.	*	H	α-helix	trans	-58.8	-45.6	177.3	-168.7	0	0	0	0	111.7	S17 K18 K23 I24 D25	S17-S21 WeakPolarHBondContact O-CB 3.35Å; S17-S21 PolarHBondContact O-N 2.89Å; K18-S21 PolarHBondContact O-N 2.99Å; S21-K23 PolarHBondContact O-N 3.43Å; S21-I24 PolarHBondContact O-N 2.97Å; S21-D25 WeakPolarHBondContact O-CB 3.47Å; S21-D25 VanDerWaalsContact O-CG 3.26Å; S21-D25 PolarHBondContact O-N 3.29Å
22	K	82.1	Confident	72.9	Confident	154 Å²	154	120.1 Å²	120.1	67%	0.67	56%	0.564	S	S	*	*	H	α-helix	trans	-64.3	-37.5	176.5	-75.3	-179.9	179.2	178.7	0	112.9	K18 R20 H26	K18-K22 WeakPolarHBondContact O-CB 3.47Å; K18-K22 WeakPolarHBondContact O-CG 3.47Å; K18-K22 PolarHBondContact O-N 3.24Å; R20-K22 PolarHBondContact O-N 2.87Å; K22-H26 VanDerWaalsContact O-CB 3.3Å; K22-H26 WeakPolarHBondContact O-CB 3.25Å; K22-H26 PolarHBondContact O-N 3.46Å
23	K	83.9	Confident	73.6	Confident	129 Å²	129	121.5 Å²	121.5	56%	0.561	56%	0.564	S	S	*	*	H	α-helix	trans	-64	-46.3	173.9	-79.6	178.8	178.5	-179.1	0	111	L19 R20 S21 H26 E27	L19-K23 WeakPolarHBondContact O-CB 3.36Å; L19-K23 WeakPolarHBondContact O-CG 3.3Å; L19-K23 PolarHBondContact O-N 2.96Å; R20-K23 PolarHBondContact O-N 3.18Å; S21-K23 PolarHBondContact O-N 3.43Å; K23-H26 PolarHBondContact O-N 2.84Å; K23-E27 WeakPolarHBondContact O-CB 3.49Å; K23-E27 WeakPolarHBondContact O-CG 3.31Å; K23-E27 PolarHBondContact O-N 2.96Å
24	I	81.3	Confident	74.3	Confident	91 Å²	91	119 Å²	119	47%	0.467	56%	0.558	S	S	.	*	H	α-helix	trans	-58.9	-49.1	175.3	-67.3	163.5	0	0	0	110.1	R20 S21 H26 E27 L28	R20-I24 VanDerWaalsContact O-CG1 3.25Å; R20-I24 WeakPolarHBondContact O-CG1 3.39Å; R20-I24 PolarHBondContact O-N 3.32Å; S21-I24 PolarHBondContact O-N 2.97Å; I24-H26 VanDerWaalsContact C-N 3.29Å; I24-H26 PolarHBondContact O-N 2.8Å; I24-E27 PolarHBondContact O-N 2.84Å; I24-L28 HydrophobicContact CG2-CD1 3.76Å; I24-L28 HydrophobicContact CG2-CG 4.2Å; I24-L28 WeakPolarHBondContact O-CB 3.5Å; I24-L28 VanDerWaalsContact O-CG 3.22Å; I24-L28 WeakPolarHBondContact O-CG 3.44Å; I24-L28 PolarHBondContact O-N 3.24Å
25	D	82.7	Confident	74.5	Confident	84 Å²	84	119.1 Å²	119.1	45%	0.449	56%	0.559	S	S	.	*	H	α-helix	trans	-61	-37.3	178.3	-70.8	-32.5	0	0	0	112.7	S21 K29	S21-D25 WeakPolarHBondContact O-CB 3.47Å; S21-D25 VanDerWaalsContact O-CG 3.26Å; S21-D25 PolarHBondContact O-N 3.29Å; D25-K29 WeakPolarHBondContact O-CB 3.43Å; D25-K29 WeakPolarHBondContact O-CG 3.38Å; D25-K29 PolarHBondContact O-N 3.23Å
26	H	80.5	Confident	74.3	Confident	131 Å²	131	120 Å²	120	61%	0.606	55%	0.554	S	S	*	*	H	α-helix	trans	-70.1	-43.4	176.8	-172.5	75.1	0	0	0	111.9	K22 K23 I24 K29 K30	K22-H26 VanDerWaalsContact O-CB 3.3Å; K22-H26 WeakPolarHBondContact O-CB 3.25Å; K22-H26 PolarHBondContact O-N 3.46Å; K23-H26 PolarHBondContact O-N 2.84Å; I24-H26 VanDerWaalsContact C-N 3.29Å; I24-H26 PolarHBondContact O-N 2.8Å; H26-K29 PolarHBondContact O-N 3.33Å; H26-K30 WeakPolarHBondContact O-CB 3.44Å; H26-K30 PolarHBondContact O-N 2.84Å
27	E	79.7	Confident	74.5	Confident	125 Å²	125	124.9 Å²	124.9	58%	0.584	57%	0.567	S	S	*	*	H	α-helix	trans	-62.3	-45.5	174.6	-75.4	176.6	-178.7	0	0	110.9	K23 I24 K29 K30 E31	K23-E27 WeakPolarHBondContact O-CB 3.49Å; K23-E27 WeakPolarHBondContact O-CG 3.31Å; K23-E27 PolarHBondContact O-N 2.96Å; I24-E27 PolarHBondContact O-N 2.84Å; E27-K29 PolarHBondContact O-N 2.78Å; E27-K30 WeakPolarHBondContact O-CB 3.22Å; E27-K30 PolarHBondContact O-N 3.14Å; E27-K30 VanDerWaalsContact O-N 3.14Å; E27-E31 VanDerWaalsContact O-CB 3.31Å; E27-E31 WeakPolarHBondContact O-CB 3.34Å; E27-E31 PolarHBondContact O-N 3.41Å
28	L	73.6	Confident	75.2	Confident	77 Å²	77	122.1 Å²	122.1	40%	0.403	55%	0.545	S	S	.	.	H	α-helix	trans	-60.5	-41	174.4	-72.3	172.9	0	0	0	112.2	I24 K32	I24-L28 HydrophobicContact CG2-CD1 3.76Å; I24-L28 HydrophobicContact CG2-CG 4.2Å; I24-L28 WeakPolarHBondContact O-CB 3.5Å; I24-L28 VanDerWaalsContact O-CG 3.22Å; I24-L28 WeakPolarHBondContact O-CG 3.44Å; I24-L28 PolarHBondContact O-N 3.24Å; L28-K32 VanDerWaalsContact O-CB 3.32Å; L28-K32 WeakPolarHBondContact O-CB 3.22Å; L28-K32 VanDerWaalsContact O-CG 3.28Å; L28-K32 WeakPolarHBondContact O-CG 3.37Å; L28-K32 PolarHBondContact O-N 2.94Å
29	K	73.6	Confident	75.8	Confident	142 Å²	142	115.5 Å²	115.5	62%	0.617	52%	0.517	S	S	*	.	H	α-helix	trans	-65.3	-40	174.6	-83	179.8	-179.1	176.1	0	112	D25 H26 E27 R33	D25-K29 WeakPolarHBondContact O-CB 3.43Å; D25-K29 WeakPolarHBondContact O-CG 3.38Å; D25-K29 PolarHBondContact O-N 3.23Å; H26-K29 PolarHBondContact O-N 3.33Å; E27-K29 PolarHBondContact O-N 2.78Å; K29-R33 WeakPolarHBondContact O-CG 3.28Å; K29-R33 PolarHBondContact O-N 3.03Å
30	K	73.7	Confident	76.5	Confident	150 Å²	150	111.7 Å²	111.7	65%	0.652	50%	0.497	S	S	*	.	H	α-helix	trans	-67.8	-41.7	177.5	-171.9	-179.9	178.6	-177	0	111	H26 E27 R33 K34	H26-K30 WeakPolarHBondContact O-CB 3.44Å; H26-K30 PolarHBondContact O-N 2.84Å; E27-K30 WeakPolarHBondContact O-CB 3.22Å; E27-K30 PolarHBondContact O-N 3.14Å; E27-K30 VanDerWaalsContact O-N 3.14Å; K30-R33 PolarHBondContact O-N 2.91Å; K30-K34 WeakPolarHBondContact O-CB 3.32Å; K30-K34 PolarHBondContact O-N 3.31Å
31	E	65.8	Low	77.2	Confident	124 Å²	124	104.5 Å²	104.5	58%	0.579	47%	0.471	S	S	*	.	H	α-helix	trans	-65.2	-45.1	175.7	-169.4	169.9	-152.1	0	0	111.3	E27 R33 K34 L35	E27-E31 VanDerWaalsContact O-CB 3.31Å; E27-E31 WeakPolarHBondContact O-CB 3.34Å; E27-E31 PolarHBondContact O-N 3.41Å; E31-R33 VanDerWaalsContact C-N 3.31Å; E31-R33 PolarHBondContact O-N 2.89Å; E31-K34 CarbonylContact O-C 3.58Å; E31-K34 WeakPolarHBondContact O-CB 3.39Å; E31-K34 PolarHBondContact O-N 3.48Å; E31-K34 VanDerWaalsContact O-N 3.07Å; E31-L35 WeakPolarHBondContact O-CB 3.48Å; E31-L35 PolarHBondContact O-N 3.07Å
32	K	61.4	Low	77.9	Confident	155 Å²	155	101.6 Å²	101.6	67%	0.674	45%	0.45	S	S	*	.	H	α-helix	trans	-57.5	-41.4	171.7	-78.8	-179.6	179	-176	0	112.6	L28 R36	L28-K32 VanDerWaalsContact O-CB 3.32Å; L28-K32 WeakPolarHBondContact O-CB 3.22Å; L28-K32 VanDerWaalsContact O-CG 3.28Å; L28-K32 WeakPolarHBondContact O-CG 3.37Å; L28-K32 PolarHBondContact O-N 2.94Å; K32-R36 WeakPolarHBondContact O-CB 3.46Å; K32-R36 PolarHBondContact O-N 3.35Å
33	R	65.5	Low	78.7	Confident	196 Å²	196	94.3 Å²	94.3	74%	0.74	42%	0.418	S	S	*	.	H	α-helix	trans	-67.1	-36.4	174.9	-76.5	177.5	178.1	-177.7	-0.8	112.5	K29 K30 E31 R37	K29-R33 WeakPolarHBondContact O-CG 3.28Å; K29-R33 PolarHBondContact O-N 3.03Å; K30-R33 PolarHBondContact O-N 2.91Å; E31-R33 VanDerWaalsContact C-N 3.31Å; E31-R33 PolarHBondContact O-N 2.89Å; R33-R37 PolarHBondContact O-N 2.77Å
34	K	62.8	Low	79.3	Confident	130 Å²	130	88.1 Å²	88.1	57%	0.565	39%	0.392	S	S	*	.	H	α-helix	trans	-68.4	-47.3	176.1	-170.8	-173.6	175.3	-166.8	0	110.7	K30 E31 R36 R37 E38	K30-K34 WeakPolarHBondContact O-CB 3.32Å; K30-K34 PolarHBondContact O-N 3.31Å; E31-K34 CarbonylContact O-C 3.58Å; E31-K34 WeakPolarHBondContact O-CB 3.39Å; E31-K34 PolarHBondContact O-N 3.48Å; E31-K34 VanDerWaalsContact O-N 3.07Å; K34-R36 VanDerWaalsContact C-N 3.3Å; K34-R36 PolarHBondContact O-N 3.03Å; K34-R37 CarbonylContact O-C 3.53Å; K34-R37 WeakPolarHBondContact O-CA 3.38Å; K34-R37 PolarHBondContact O-N 2.75Å; K34-E38 PolarHBondContact O-N 3.47Å
35	L	59	Low	80	Confident	110 Å²	110	83.8 Å²	83.8	58%	0.576	37%	0.369	S	S	*	.	H	α-helix	trans	-61.1	-39.3	175.6	-170	69.3	0	0	0	111.2	E31 R37 E38	E31-L35 WeakPolarHBondContact O-CB 3.48Å; E31-L35 PolarHBondContact O-N 3.07Å; L35-R37 PolarHBondContact O-N 3.21Å; L35-R37 VanDerWaalsContact O-N 3.07Å; L35-E38 PolarHBondContact O-N 2.95Å
36	R	65.7	Low	80.6	Confident	121 Å²	121	80 Å²	80	46%	0.457	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-13.8	173.4	-170.6	169.2	177.3	-177.2	-1.1	113.2	K32 K34 L352 Q355	K32-R36 WeakPolarHBondContact O-CB 3.46Å; K32-R36 PolarHBondContact O-N 3.35Å; K34-R36 VanDerWaalsContact C-N 3.3Å; K34-R36 PolarHBondContact O-N 3.03Å; R36-L352 HydrophobicContact CG-CD2 3.4Å; R36-L352 VanDerWaalsContact CG-CD2 3.4Å; R36-L352 PolarHBondContact NH2-O 3.5Å; R36-L352 WeakPolarHBondContact O-CD1 3.35Å; R36-L352 VanDerWaalsContact O-CD2 3.25Å; R36-L352 WeakPolarHBondContact O-CD2 3.42Å; R36-Q355 PolarHBondContact NH2-OXT 3.29Å
37	R	80	Confident	81.2	Confident	188 Å²	188	74.7 Å²	74.7	71%	0.709	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-5.8	174.7	-66.7	-178.4	177.8	-178.6	-1.8	113.2	R33 K34 L35	R33-R37 PolarHBondContact O-N 2.77Å; K34-R37 CarbonylContact O-C 3.53Å; K34-R37 WeakPolarHBondContact O-CA 3.38Å; K34-R37 PolarHBondContact O-N 2.75Å; L35-R37 PolarHBondContact O-N 3.21Å; L35-R37 VanDerWaalsContact O-N 3.07Å
38	E	88.6	Confident	81.9	Confident	14 Å²	14	71 Å²	71	7%	0.065	31%	0.313	C	S	.	.			trans	-78.7	136.8	177.7	-171.2	171.3	92	0	0	109.9	K34 L35 P196 R198	K34-E38 PolarHBondContact O-N 3.47Å; L35-E38 PolarHBondContact O-N 2.95Å; E38-P196 WeakPolarHBondContact CA-O 3.48Å; E38-P196 HydrophobicContact CB-CG 4.03Å; E38-P196 HydrophobicContact CG-CB 4.14Å; E38-P196 HydrophobicContact CG-CG 4.17Å; E38-P196 WeakPolarHBondContact CG-O 3.49Å; E38-R198 HydrophobicContact CG-CB 4.31Å; E38-R198 IonicContact OE1-CZ 3.78Å; E38-R198 IonicContact OE1-NE 2.8Å; E38-R198 PolarHBondContact OE1-NE 2.89Å; E38-R198 IonicContact OE1-NH2 2.77Å; E38-R198 PolarHBondContact OE1-NH2 2.83Å; E38-R198 IonicContact OE2-NH2 2.84Å; E38-R198 PolarHBondContact OE2-NH2 3.28Å
39	V	91.9	Very high	83	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	113.9	176.6	174.9	0	0	0	0	107.8	V41 V195 P196 F197 R198 T220 I344 L345	V39-V41 HydrophobicContact CG1-CG2 4.07Å; V39-V195 HydrophobicContact CG2-CG1 3.83Å; V39-P196 PolarHBondContact N-O 2.86Å; V39-F197 HydrophobicContact CB-CD1 3.95Å; V39-F197 HydrophobicContact CB-CE1 3.95Å; V39-F197 HydrophobicContact CB-CG 4.26Å; V39-F197 HydrophobicContact CB-CZ 4.25Å; V39-F197 HydrophobicContact CG1-CD1 3.72Å; V39-F197 HydrophobicContact CG1-CE1 3.54Å; V39-F197 HydrophobicContact CG1-CZ 4.2Å; V39-F197 HydrophobicContact CG2-CE1 4.41Å; V39-F197 HydrophobicContact CG2-CZ 4.27Å; V39-F197 CarbonylContact O-C 3.51Å; V39-F197 WeakPolarHBondContact O-CA 3.45Å; V39-R198 PolarHBondContact O-N 3.14Å; V39-T220 HydrophobicContact CG1-CG2 4.3Å; V39-I344 HydrophobicContact CG1-CG2 3.29Å; V39-L345 HydrophobicContact CG2-CD2 4.03Å
40	T	93.2	Very high	84.1	Confident	11 Å²	11	61.1 Å²	61.1	7%	0.067	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	117	177.9	-57.3	0	0	0	0	109.8	R198 I200 G218 V219 T220 S221	T40-R198 CarbonylContact C-O 3.59Å; T40-R198 WeakPolarHBondContact CA-O 3.15Å; T40-I200 HydrophobicContact CG2-CD1 3.57Å; T40-I200 HydrophobicContact CG2-CG1 4.11Å; T40-G218 VanDerWaalsContact CB-O 3.29Å; T40-G218 WeakPolarHBondContact CB-O 3.25Å; T40-G218 PolarHBondContact OG1-O 2.65Å; T40-V219 HydrophobicContact CG2-CG2 4.38Å; T40-T220 PolarHBondContact N-OG1 2.92Å; T40-T220 WeakPolarHBondContact O-CA 3.25Å; T40-T220 WeakPolarHBondContact O-CB 3.01Å; T40-T220 PolarHBondContact O-N 3.46Å; T40-S221 PolarHBondContact O-N 2.94Å; T40-S221 VanDerWaalsContact O-N 3.11Å
41	V	95.2	Very high	85.2	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	115.3	178	-174.8	0	0	0	0	109.3	V39 L43 F197 R198 F199 I200 S221 L223 I344	V39-V41 HydrophobicContact CG1-CG2 4.07Å; V41-L43 HydrophobicContact CG1-CD2 4.25Å; V41-F197 HydrophobicContact CG2-CD1 4.19Å; V41-R198 PolarHBondContact N-O 2.81Å; V41-F199 HydrophobicContact CB-CD1 3.78Å; V41-F199 HydrophobicContact CB-CE1 3.97Å; V41-F199 HydrophobicContact CG1-CD1 4.05Å; V41-F199 HydrophobicContact CG1-CE1 4.12Å; V41-F199 HydrophobicContact CG2-CD1 4.4Å; V41-F199 HydrophobicContact CG2-CE1 4.13Å; V41-F199 WeakPolarHBondContact O-CA 3.29Å; V41-I200 PolarHBondContact O-N 3.4Å; V41-S221 WeakPolarHBondContact CA-O 3.36Å; V41-L223 HydrophobicContact CG1-CB 4.04Å; V41-I344 HydrophobicContact CG2-CD1 4.23Å
42	L	96.5	Very high	86.7	Confident	0 Å²	0	50 Å²	50	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	124.2	176.4	-179.4	61.3	0	0	0	110.4	L44 I200 V202 C215 F216 V219 S221 L223	L42-L44 HydrophobicContact CD1-CD2 4.34Å; L42-L44 HydrophobicContact CD2-CD1 4.03Å; L42-L44 HydrophobicContact CD2-CD2 4.03Å; L42-L44 HydrophobicContact CD2-CG 4.07Å; L42-L44 HydrophobicContact CG-CD1 4.4Å; L42-L44 HydrophobicContact CG-CD2 3.97Å; L42-L44 HydrophobicContact CG-CG 3.94Å; L42-I200 HydrophobicContact CD1-CB 3.79Å; L42-I200 HydrophobicContact CD1-CG2 3.77Å; L42-V202 HydrophobicContact CD1-CG1 4.49Å; L42-C215 HydrophobicContact CD1-CB 3.73Å; L42-C215 HydrophobicContact CD2-CB 4.35Å; L42-F216 HydrophobicContact CD2-CD1 3.71Å; L42-F216 HydrophobicContact CD2-CE1 3.88Å; L42-V219 HydrophobicContact CB-CG1 3.75Å; L42-V219 HydrophobicContact CB-CG2 3.98Å; L42-V219 HydrophobicContact CD2-CG2 4.12Å; L42-S221 PolarHBondContact N-O 3.41Å; L42-L223 PolarHBondContact O-N 3.31Å
43	L	97.5	Very high	88.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	114.3	177.7	-52.7	-174.6	0	0	0	110.2	V41 K51 F54 L55 F199 I200 D201 V202 L223	V41-L43 HydrophobicContact CG1-CD2 4.25Å; L43-K51 HydrophobicContact CB-CB 4.16Å; L43-K51 HydrophobicContact CB-CD 4.23Å; L43-K51 HydrophobicContact CB-CG 4.15Å; L43-K51 HydrophobicContact CD1-CB 4.47Å; L43-K51 WeakPolarHBondContact O-CD 3.43Å; L43-F54 HydrophobicContact CD1-CD1 4.01Å; L43-F54 HydrophobicContact CD2-CD1 3.95Å; L43-F54 HydrophobicContact CD2-CE1 4.09Å; L43-L55 HydrophobicContact CD1-CB 4.07Å; L43-F199 HydrophobicContact CD2-CD1 4.42Å; L43-I200 WeakPolarHBondContact CB-O 3.31Å; L43-I200 PolarHBondContact N-O 2.89Å; L43-D201 HydrophobicContact CD1-CB 4.21Å; L43-V202 WeakPolarHBondContact O-CG2 3.4Å; L43-L223 WeakPolarHBondContact CA-O 3.22Å; L43-L223 HydrophobicContact CD2-CB 3.75Å; L43-L223 HydrophobicContact CD2-CD2 3.66Å; L43-L223 HydrophobicContact CD2-CG 4.23Å
44	L	97	Very high	90	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	162.5	179.7	-64.3	-178.3	0	0	0	112.1	L42 V202 W212 F216 I222 L223 F224 L225 I254	L42-L44 HydrophobicContact CD1-CD2 4.34Å; L42-L44 HydrophobicContact CD2-CD1 4.03Å; L42-L44 HydrophobicContact CD2-CD2 4.03Å; L42-L44 HydrophobicContact CD2-CG 4.07Å; L42-L44 HydrophobicContact CG-CD1 4.4Å; L42-L44 HydrophobicContact CG-CD2 3.97Å; L42-L44 HydrophobicContact CG-CG 3.94Å; L44-V202 HydrophobicContact CD2-CG2 3.78Å; L44-W212 HydrophobicContact CD2-CD2 3.74Å; L44-W212 HydrophobicContact CD2-CE3 3.92Å; L44-W212 HydrophobicContact CD2-CG 4.04Å; L44-W212 HydrophobicContact CD2-CZ2 4.4Å; L44-W212 HydrophobicContact CD2-CZ3 4.31Å; L44-F216 HydrophobicContact CD1-CE1 4.47Å; L44-I222 HydrophobicContact CB-CG2 4.38Å; L44-I222 HydrophobicContact CD1-CD1 4.43Å; L44-I222 HydrophobicContact CD1-CG2 3.91Å; L44-I222 HydrophobicContact CG-CG2 4.27Å; L44-L223 PolarHBondContact N-O 3.18Å; L44-F224 HydrophobicContact CB-CD2 3.67Å; L44-F224 HydrophobicContact CB-CE2 4.08Å; L44-F224 CarbonylContact O-C 3.54Å; L44-F224 WeakPolarHBondContact O-CA 3.4Å; L44-L225 PolarHBondContact O-N 3.26Å; L44-I254 HydrophobicContact CD1-CG1 4.33Å; L44-I254 HydrophobicContact CD1-CG2 3.67Å
45	G	96.6	Very high	91.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.139	C	C	.	.			trans	138.8	166.6	-179.8	0	0	0	0	0	112.8	K51 G204 L225	G45-K51 PolarHBondContact O-NZ 2.72Å; G45-G204 WeakPolarHBondContact O-CA 3.3Å; G45-L225 WeakPolarHBondContact CA-O 3.31Å
46	S	94.6	Very high	93.4	Very high	5 Å²	5	24.3 Å²	24.3	4%	0.035	12%	0.115	C	C	.	.	S	Bend	trans	-60.1	166.8	179	51.6	0	0	0	0	113.2	S49 K51 S247	S46-S49 WeakPolarHBondContact O-CB 3.4Å; S46-S49 PolarHBondContact O-N 3.05Å; S46-S49 PolarHBondContact O-OG 3.43Å; S46-K51 PolarHBondContact O-NZ 3.04Å; S46-S247 WeakPolarHBondContact CB-OG 3.41Å; S46-S247 PolarHBondContact OG-OG 3.3Å
47	G	92.7	Very high	95	Very high	19 Å²	19	18.6 Å²	18.6	20%	0.196	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	145	171.5	0	0	0	0	0	110.5	S49 G204	G47-S49 PolarHBondContact O-N 3.44Å; G47-G204 VanDerWaalsContact N-C 3.33Å; G47-G204 PolarHBondContact N-O 3.36Å
48	E	94.1	Very high	95.8	Very high	48 Å²	48	9.6 Å²	9.6	22%	0.224	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	5.7	177.9	-47	-169.1	101.3	0	0	116.5	G50 R179 R243 K271	E48-G50 PolarHBondContact O-N 2.96Å; E48-G50 VanDerWaalsContact O-N 3.14Å; E48-R179 VanDerWaalsContact OE1-CD 3.27Å; E48-R179 WeakPolarHBondContact OE1-CD 3.4Å; E48-R179 IonicContact OE1-CZ 3.67Å; E48-R179 IonicContact OE1-NE 3.6Å; E48-R179 PolarHBondContact OE1-NE 2.79Å; E48-R179 VanDerWaalsContact OE1-NE 3.14Å; E48-R179 IonicContact OE1-NH1 3.61Å; E48-R179 PolarHBondContact OE1-NH1 2.96Å; E48-R179 IonicContact OE1-NH2 2.85Å; E48-R179 IonicContact OE2-CZ 2.56Å; E48-R179 IonicContact OE2-NH1 2.98Å; E48-R179 PolarHBondContact OE2-NH1 3.42Å; E48-R179 IonicContact OE2-NH2 3.61Å; E48-R243 IonicContact OE2-CZ 3.42Å; E48-R243 IonicContact OE2-NH1 2.87Å; E48-R243 PolarHBondContact OE2-NH1 3.06Å; E48-R243 IonicContact OE2-NH2 2.6Å; E48-R243 PolarHBondContact OE2-NH2 2.94Å; E48-R243 VanDerWaalsContact OE2-NH2 3.14Å; E48-K271 WeakPolarHBondContact O-CE 3.43Å; E48-K271 PolarHBondContact O-NZ 3.11Å
49	S	97.1	Very high	96.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	-67	-13.4	178.3	71.7	0	0	0	0	115.4	S46 G47 K51 L225 N270	S46-S49 WeakPolarHBondContact O-CB 3.4Å; S46-S49 PolarHBondContact O-N 3.05Å; S46-S49 PolarHBondContact O-OG 3.43Å; G47-S49 PolarHBondContact O-N 3.44Å; S49-K51 PolarHBondContact OG-NZ 3.07Å; S49-L225 WeakPolarHBondContact CB-O 3.19Å; S49-L225 PolarHBondContact OG-O 2.94Å; S49-N270 PolarHBondContact O-ND2 3.35Å
50	G	97	Very high	96.4	Very high	10 Å²	10	10.7 Å²	10.7	10%	0.103	7%	0.066	C	C	.	.	S	Bend	trans	103.9	13.4	176.2	0	0	0	0	0	116.1	E48 T53 F54	E48-G50 PolarHBondContact O-N 2.96Å; E48-G50 VanDerWaalsContact O-N 3.14Å; G50-T53 WeakPolarHBondContact O-CB 2.99Å; G50-T53 PolarHBondContact O-N 2.98Å; G50-F54 PolarHBondContact O-N 2.77Å
51	K	97.4	Very high	96.5	Very high	8 Å²	8	11.6 Å²	11.6	4%	0.035	7%	0.07	C	C	.	.	H	α-helix	trans	-54.4	-55.4	178.5	-64.9	176.7	-69.4	-63.8	0	113.1	L43 G45 S46 S49 T53 F54 L55 D201 V202 L225	L43-K51 HydrophobicContact CB-CB 4.16Å; L43-K51 HydrophobicContact CB-CD 4.23Å; L43-K51 HydrophobicContact CB-CG 4.15Å; L43-K51 HydrophobicContact CD1-CB 4.47Å; L43-K51 WeakPolarHBondContact O-CD 3.43Å; G45-K51 PolarHBondContact O-NZ 2.72Å; S46-K51 PolarHBondContact O-NZ 3.04Å; S49-K51 PolarHBondContact OG-NZ 3.07Å; K51-T53 PolarHBondContact O-N 3.42Å; K51-F54 WeakPolarHBondContact O-CB 3.45Å; K51-F54 PolarHBondContact O-N 2.8Å; K51-F54 VanDerWaalsContact O-N 3.11Å; K51-L55 PolarHBondContact O-N 2.93Å; K51-D201 WeakPolarHBondContact CB-OD1 3.35Å; K51-V202 WeakPolarHBondContact CE-O 3.42Å; K51-L225 HydrophobicContact CG-CB 4.29Å; K51-L225 HydrophobicContact CG-CD1 4.12Å
52	S	97.2	Very high	96.5	Very high	32 Å²	32	14.6 Å²	14.6	22%	0.224	8%	0.084	C	C	.	.	H	α-helix	trans	-65.4	-29.5	-179.9	-44.6	0	0	0	0	112	L55 K56 T182 D201	S52-L55 PolarHBondContact O-N 3.35Å; S52-K56 WeakPolarHBondContact O-CB 3.47Å; S52-K56 VanDerWaalsContact O-CG 3.24Å; S52-K56 WeakPolarHBondContact O-CG 3.38Å; S52-K56 PolarHBondContact O-N 3.21Å; S52-T182 PolarHBondContact OG-OG1 3.14Å; S52-D201 WeakPolarHBondContact CA-OD2 3.22Å; S52-D201 WeakPolarHBondContact CB-OD2 3.32Å; S52-D201 PolarHBondContact OG-OD2 3.19Å
53	T	97.6	Very high	96.4	Very high	25 Å²	25	16.6 Å²	16.6	15%	0.153	10%	0.104	C	C	.	.	H	α-helix	trans	-68.1	-42.6	173.1	-52.9	0	0	0	0	111.1	G50 K51 L55 K56 Q57 L176 A327 I328	G50-T53 WeakPolarHBondContact O-CB 2.99Å; G50-T53 PolarHBondContact O-N 2.98Å; K51-T53 PolarHBondContact O-N 3.42Å; T53-L55 VanDerWaalsContact C-N 3.33Å; T53-L55 PolarHBondContact O-N 3.47Å; T53-K56 WeakPolarHBondContact O-CB 3.33Å; T53-K56 PolarHBondContact O-N 2.99Å; T53-Q57 WeakPolarHBondContact O-CG 3.45Å; T53-Q57 PolarHBondContact O-N 3.11Å; T53-L176 HydrophobicContact CG2-CB 4.24Å; T53-L176 HydrophobicContact CG2-CD2 3.8Å; T53-L176 WeakPolarHBondContact CG2-O 3.42Å; T53-L176 PolarHBondContact OG1-O 3.24Å; T53-A327 HydrophobicContact CG2-CB 3.69Å; T53-I328 HydrophobicContact CG2-CG2 4.17Å
54	F	97.9	Very high	96.1	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	13%	0.133	C	C	.	.	H	α-helix	trans	-60	-43.6	171.7	176	-91.9	0	0	0	111.6	L43 G50 K51 K56 Q57 M58 F199 L223 L225 F268 I333 F337	L43-F54 HydrophobicContact CD1-CD1 4.01Å; L43-F54 HydrophobicContact CD2-CD1 3.95Å; L43-F54 HydrophobicContact CD2-CE1 4.09Å; G50-F54 PolarHBondContact O-N 2.77Å; K51-F54 WeakPolarHBondContact O-CB 3.45Å; K51-F54 PolarHBondContact O-N 2.8Å; K51-F54 VanDerWaalsContact O-N 3.11Å; F54-K56 PolarHBondContact O-N 3.5Å; F54-Q57 WeakPolarHBondContact O-CA 3.25Å; F54-Q57 WeakPolarHBondContact O-CB 3.06Å; F54-Q57 PolarHBondContact O-N 3.19Å; F54-Q57 VanDerWaalsContact O-N 3.08Å; F54-M58 HydrophobicContact CD1-CG 4.48Å; F54-M58 HydrophobicContact CE1-CE 4.36Å; F54-M58 HydrophobicContact CE1-CG 4Å; F54-M58 HydrophobicContact CE1-SD 4.2Å; F54-M58 HydrophobicContact CE2-CE 3.93Å; F54-M58 HydrophobicContact CZ-CE 3.81Å; F54-M58 HydrophobicContact CZ-CG 4.36Å; F54-M58 HydrophobicContact CZ-SD 3.98Å; F54-M58 PolarHBondContact O-N 3.25Å; F54-M58 VanDerWaalsContact O-N 3.08Å; F54-F199 HydrophobicContact CE1-CD1 4.11Å; F54-F199 AromaticContact CE1-CE1 3.83Å; F54-F199 HydrophobicContact CE1-CE1 3.83Å; F54-F199 HydrophobicContact CZ-CE1 4.36Å; F54-L223 HydrophobicContact CD1-CD2 3.88Å; F54-L223 HydrophobicContact CD2-CD2 4.34Å; F54-L223 HydrophobicContact CE1-CD2 3.55Å; F54-L223 HydrophobicContact CE2-CD2 4.04Å; F54-L223 HydrophobicContact CG-CD2 4.26Å; F54-L223 HydrophobicContact CZ-CD2 3.64Å; F54-L225 HydrophobicContact CB-CD2 4.13Å; F54-F268 HydrophobicContact CD2-CD2 4.43Å; F54-F268 AromaticContact CD2-CE2 3.82Å; F54-F268 HydrophobicContact CD2-CE2 3.82Å; F54-F268 AromaticContact CE2-CE2 3.64Å; F54-F268 HydrophobicContact CE2-CE2 3.64Å; F54-F268 HydrophobicContact CE2-CZ 4.33Å; F54-F268 HydrophobicContact CZ-CE2 4.43Å; F54-I333 HydrophobicContact CD2-CD1 4.17Å; F54-I333 HydrophobicContact CD2-CG2 3.98Å; F54-I333 HydrophobicContact CE2-CG2 3.88Å; F54-F337 HydrophobicContact CE2-CD2 4.41Å; F54-F337 AromaticContact CZ-CD2 3.76Å; F54-F337 HydrophobicContact CZ-CD2 3.76Å; F54-F337 HydrophobicContact CZ-CE2 4.33Å; F54-F337 HydrophobicContact CZ-CG 4.5Å
55	L	97.1	Very high	96	Very high	9 Å²	9	25.9 Å²	25.9	5%	0.047	15%	0.149	C	C	.	.	H	α-helix	trans	-63.5	-40.7	177.1	-173.1	58.6	0	0	0	112.5	L43 K51 S52 T53 Q57 M58 V59 T186 L188 F190 F199 D201	L43-L55 HydrophobicContact CD1-CB 4.07Å; K51-L55 PolarHBondContact O-N 2.93Å; S52-L55 PolarHBondContact O-N 3.35Å; T53-L55 VanDerWaalsContact C-N 3.33Å; T53-L55 PolarHBondContact O-N 3.47Å; L55-Q57 VanDerWaalsContact C-N 3.28Å; L55-Q57 PolarHBondContact O-N 3.33Å; L55-M58 WeakPolarHBondContact O-CB 3Å; L55-M58 PolarHBondContact O-N 3.26Å; L55-V59 PolarHBondContact O-N 3.43Å; L55-T186 HydrophobicContact CD2-CG2 4.35Å; L55-L188 HydrophobicContact CD1-CB 4.15Å; L55-L188 HydrophobicContact CD1-CD1 3.85Å; L55-L188 HydrophobicContact CD1-CG 4.29Å; L55-L188 HydrophobicContact CD2-CD1 3.95Å; L55-L188 HydrophobicContact CD2-CG 4.23Å; L55-L188 HydrophobicContact CG-CD1 3.72Å; L55-L188 HydrophobicContact CG-CG 4.41Å; L55-F190 HydrophobicContact CD1-CE2 4.36Å; L55-F199 HydrophobicContact CD1-CB 3.49Å; L55-F199 VanDerWaalsContact CD1-CB 3.49Å; L55-F199 HydrophobicContact CD1-CG 4.11Å; L55-D201 HydrophobicContact CD2-CB 3.61Å
56	K	97.3	Very high	95.9	Very high	18 Å²	18	32.2 Å²	32.2	8%	0.078	18%	0.179	C	C	.	.	H	α-helix	trans	-58.6	-38.6	170.6	-76	169	-177.9	-179	0	112	S52 T53 F54 M58 V59 I60 F67 Y75 I175 L176	S52-K56 WeakPolarHBondContact O-CB 3.47Å; S52-K56 VanDerWaalsContact O-CG 3.24Å; S52-K56 WeakPolarHBondContact O-CG 3.38Å; S52-K56 PolarHBondContact O-N 3.21Å; T53-K56 WeakPolarHBondContact O-CB 3.33Å; T53-K56 PolarHBondContact O-N 2.99Å; F54-K56 PolarHBondContact O-N 3.5Å; K56-M58 VanDerWaalsContact C-N 3.29Å; K56-M58 PolarHBondContact O-N 3.22Å; K56-V59 WeakPolarHBondContact O-CB 3.49Å; K56-V59 PolarHBondContact O-N 2.95Å; K56-I60 WeakPolarHBondContact O-CG1 3.42Å; K56-I60 PolarHBondContact O-N 3.24Å; K56-I60 VanDerWaalsContact O-N 3.11Å; K56-F67 HydrophobicContact CB-CZ 3.89Å; K56-F67 HydrophobicContact CG-CE1 4.29Å; K56-F67 HydrophobicContact CG-CZ 3.9Å; K56-Y75 VanDerWaalsContact CE-OH 3.29Å; K56-Y75 WeakPolarHBondContact CE-OH 3.29Å; K56-I175 HydrophobicContact CD-CG2 4.22Å; K56-I175 PolarHBondContact NZ-O 3.43Å; K56-L176 HydrophobicContact CB-CD2 3.76Å
57	Q	97.6	Very high	95.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.1	-31.7	173.6	-68.4	-76.8	27.1	0	0	112.3	T53 F54 L55 V59 I60 I61 L176 A327 T330 I333	T53-Q57 WeakPolarHBondContact O-CG 3.45Å; T53-Q57 PolarHBondContact O-N 3.11Å; F54-Q57 WeakPolarHBondContact O-CA 3.25Å; F54-Q57 WeakPolarHBondContact O-CB 3.06Å; F54-Q57 PolarHBondContact O-N 3.19Å; F54-Q57 VanDerWaalsContact O-N 3.08Å; L55-Q57 VanDerWaalsContact C-N 3.28Å; L55-Q57 PolarHBondContact O-N 3.33Å; Q57-V59 VanDerWaalsContact C-N 3.31Å; Q57-V59 PolarHBondContact O-N 3.1Å; Q57-I60 PolarHBondContact O-N 3.29Å; Q57-I61 HydrophobicContact CB-CD1 4.17Å; Q57-I61 VanDerWaalsContact O-CB 3.31Å; Q57-I61 WeakPolarHBondContact O-CB 3.3Å; Q57-I61 VanDerWaalsContact O-CG1 3.23Å; Q57-I61 WeakPolarHBondContact O-CG1 3.31Å; Q57-I61 PolarHBondContact O-N 3.03Å; Q57-L176 HydrophobicContact CG-CD2 3.8Å; Q57-A327 WeakPolarHBondContact CG-O 3.29Å; Q57-A327 PolarHBondContact NE2-O 2.96Å; Q57-T330 PolarHBondContact NE2-OG1 3.28Å; Q57-T330 PolarHBondContact OE1-OG1 3.23Å; Q57-I333 HydrophobicContact CB-CB 4.4Å; Q57-I333 HydrophobicContact CB-CG2 3.83Å; Q57-I333 HydrophobicContact CG-CB 4.4Å; Q57-I333 HydrophobicContact CG-CG1 4.21Å; Q57-I333 HydrophobicContact CG-CG2 4.33Å
58	M	96.9	Very high	96.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.9	-36.4	172.9	-61.3	-60.6	95.2	0	0	111.7	F54 L55 K56 I60 I61 H62 G63 F190 F199 I333 F337	F54-M58 HydrophobicContact CD1-CG 4.48Å; F54-M58 HydrophobicContact CE1-CE 4.36Å; F54-M58 HydrophobicContact CE1-CG 4Å; F54-M58 HydrophobicContact CE1-SD 4.2Å; F54-M58 HydrophobicContact CE2-CE 3.93Å; F54-M58 HydrophobicContact CZ-CE 3.81Å; F54-M58 HydrophobicContact CZ-CG 4.36Å; F54-M58 HydrophobicContact CZ-SD 3.98Å; F54-M58 PolarHBondContact O-N 3.25Å; F54-M58 VanDerWaalsContact O-N 3.08Å; L55-M58 WeakPolarHBondContact O-CB 3Å; L55-M58 PolarHBondContact O-N 3.26Å; K56-M58 VanDerWaalsContact C-N 3.29Å; K56-M58 PolarHBondContact O-N 3.22Å; M58-I60 VanDerWaalsContact C-N 3.34Å; M58-I61 HydrophobicContact CE-CD1 4.2Å; M58-H62 WeakPolarHBondContact O-CA 3.47Å; M58-H62 WeakPolarHBondContact O-CB 3.34Å; M58-H62 PolarHBondContact O-N 3.21Å; M58-G63 PolarHBondContact O-N 3.1Å; M58-F190 HydrophobicContact CB-CD2 4.02Å; M58-F190 HydrophobicContact CB-CE2 3.49Å; M58-F190 VanDerWaalsContact CB-CE2 3.49Å; M58-F190 HydrophobicContact CB-CZ 3.81Å; M58-F199 HydrophobicContact CG-CD2 4.37Å; M58-F199 HydrophobicContact CG-CE1 4.21Å; M58-F199 HydrophobicContact CG-CE2 4.03Å; M58-F199 HydrophobicContact CG-CZ 3.93Å; M58-F199 HydrophobicContact SD-CE1 4.25Å; M58-F199 HydrophobicContact SD-CE2 4.19Å; M58-F199 HydrophobicContact SD-CZ 3.72Å; M58-I333 HydrophobicContact CE-CG2 3.71Å; M58-F337 HydrophobicContact CE-CB 4.37Å; M58-F337 HydrophobicContact CE-CD1 4.44Å; M58-F337 HydrophobicContact CE-CG 4.15Å; M58-F337 HydrophobicContact SD-CD1 4.16Å; M58-F337 HydrophobicContact SD-CD2 4.18Å; M58-F337 HydrophobicContact SD-CE1 4.22Å; M58-F337 HydrophobicContact SD-CE2 4.22Å; M58-F337 HydrophobicContact SD-CG 4.15Å; M58-F337 HydrophobicContact SD-CZ 4.25Å
59	V	96.5	Very high	96.2	Very high	17 Å²	17	38.4 Å²	38.4	10%	0.103	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-42.6	171.6	180	0	0	0	0	111.4	L55 K56 Q57 G63 R64 F67 L188 F190	L55-V59 PolarHBondContact O-N 3.43Å; K56-V59 WeakPolarHBondContact O-CB 3.49Å; K56-V59 PolarHBondContact O-N 2.95Å; Q57-V59 VanDerWaalsContact C-N 3.31Å; Q57-V59 PolarHBondContact O-N 3.1Å; V59-G63 CarbonylContact O-C 3.29Å; V59-G63 VanDerWaalsContact O-C 3.29Å; V59-G63 WeakPolarHBondContact O-CA 3.27Å; V59-G63 PolarHBondContact O-N 3.02Å; V59-R64 PolarHBondContact O-N 3.16Å; V59-R64 VanDerWaalsContact O-N 3.12Å; V59-F67 HydrophobicContact CG1-CE1 4.34Å; V59-L188 HydrophobicContact CG2-CD1 3.69Å; V59-F190 HydrophobicContact CG2-CE1 4.26Å; V59-F190 HydrophobicContact CG2-CZ 3.82Å
60	I	97	Very high	96.2	Very high	20 Å²	20	44.4 Å²	44.4	10%	0.103	24%	0.236	C	C	.	.	H	α-helix	trans	-70.4	-45.9	178.9	-65.4	167	0	0	0	111.5	K56 Q57 M58 G65 F67 N172 L176 T330	K56-I60 WeakPolarHBondContact O-CG1 3.42Å; K56-I60 PolarHBondContact O-N 3.24Å; K56-I60 VanDerWaalsContact O-N 3.11Å; Q57-I60 PolarHBondContact O-N 3.29Å; M58-I60 VanDerWaalsContact C-N 3.34Å; I60-G65 VanDerWaalsContact O-CA 3.25Å; I60-G65 WeakPolarHBondContact O-CA 3.39Å; I60-F67 HydrophobicContact CD1-CE2 4.09Å; I60-F67 HydrophobicContact CG1-CE2 4.11Å; I60-N172 HydrophobicContact CD1-CB 4.09Å; I60-L176 HydrophobicContact CD1-CD1 3.9Å; I60-L176 HydrophobicContact CD1-CD2 4.1Å; I60-L176 HydrophobicContact CD1-CG 4.09Å; I60-T330 HydrophobicContact CG2-CG2 4.11Å
61	I	96.4	Very high	96.1	Very high	29 Å²	29	46.8 Å²	46.8	15%	0.149	24%	0.244	C	C	.	.	H	α-helix	trans	-83.3	-38.5	-169.9	-64.4	166.6	0	0	0	112.1	Q57 M58 T330 I333 R334	Q57-I61 HydrophobicContact CB-CD1 4.17Å; Q57-I61 VanDerWaalsContact O-CB 3.31Å; Q57-I61 WeakPolarHBondContact O-CB 3.3Å; Q57-I61 VanDerWaalsContact O-CG1 3.23Å; Q57-I61 WeakPolarHBondContact O-CG1 3.31Å; Q57-I61 PolarHBondContact O-N 3.03Å; M58-I61 HydrophobicContact CE-CD1 4.2Å; I61-T330 HydrophobicContact CD1-CG2 4.07Å; I61-T330 HydrophobicContact CG1-CG2 3.72Å; I61-I333 HydrophobicContact CD1-CB 4.18Å; I61-I333 HydrophobicContact CD1-CG2 3.79Å; I61-R334 HydrophobicContact CD1-CB 4.14Å; I61-R334 HydrophobicContact CG2-CG 4.15Å
62	H	95.1	Very high	96.1	Very high	66 Å²	66	46.4 Å²	46.4	31%	0.306	24%	0.243	S	C	.	.	H	α-helix	trans	-120.2	-8.9	-172.5	-64.9	-57.3	0	0	0	113.9	M58 F190 I192 F337	M58-H62 WeakPolarHBondContact O-CA 3.47Å; M58-H62 WeakPolarHBondContact O-CB 3.34Å; M58-H62 PolarHBondContact O-N 3.21Å; H62-F190 HydrophobicContact CB-CB 4.18Å; H62-F190 HydrophobicContact CB-CD1 4.22Å; H62-F190 HydrophobicContact CB-CG 4.29Å; H62-I192 HydrophobicContact CB-CD1 4.39Å; H62-I192 HydrophobicContact CB-CG1 4.33Å; H62-F337 AromaticContact NE2-CD1 3.39Å; H62-F337 WeakPolarHBondContact NE2-CD1 3.27Å; H62-F337 AromaticContact NE2-CE1 3.48Å; H62-F337 WeakPolarHBondContact NE2-CE1 3.48Å
63	G	93.3	Very high	96.1	Very high	41 Å²	41	47.7 Å²	47.7	42%	0.423	25%	0.246	S	C	.	.	S	Bend	trans	-99.3	-125.7	175.4	0	0	0	0	0	112.2	M58 V59	M58-G63 PolarHBondContact O-N 3.1Å; V59-G63 CarbonylContact O-C 3.29Å; V59-G63 VanDerWaalsContact O-C 3.29Å; V59-G63 WeakPolarHBondContact O-CA 3.27Å; V59-G63 PolarHBondContact O-N 3.02Å
64	R	92.6	Very high	96.1	Very high	163 Å²	163	51.3 Å²	51.3	62%	0.615	26%	0.261	S	S	*	.			trans	-85.8	-7.4	-171.1	-57.9	179.8	-168.8	114.5	-0.4	114	V59 E66 E71	V59-R64 PolarHBondContact O-N 3.16Å; V59-R64 VanDerWaalsContact O-N 3.12Å; R64-E66 PolarHBondContact O-N 3.02Å; R64-E66 VanDerWaalsContact O-N 3.13Å; R64-E71 IonicContact NH1-OE1 2.75Å; R64-E71 IonicContact NH1-OE2 3.59Å
65	G	94.5	Very high	96.1	Very high	33 Å²	33	53 Å²	53	34%	0.34	27%	0.268	S	S	.	.	S	Bend	trans	82.2	-32.4	-170.9	0	0	0	0	0	113.7	I60 N172	I60-G65 VanDerWaalsContact O-CA 3.25Å; I60-G65 WeakPolarHBondContact O-CA 3.39Å; G65-N172 PolarHBondContact O-ND2 3.35Å
66	E	93.7	Very high	96.2	Very high	133 Å²	133	54.3 Å²	54.3	62%	0.621	27%	0.273	S	S	*	.	S	Bend	trans	-138.7	163	-177.2	62	-172.2	-176	0	0	112	R64	R64-E66 PolarHBondContact O-N 3.02Å; R64-E66 VanDerWaalsContact O-N 3.13Å
67	F	95.9	Very high	96.1	Very high	16 Å²	16	56.4 Å²	56.4	7%	0.07	29%	0.294	C	S	.	.			trans	-83.2	143.8	171.8	-66.2	-88.1	0	0	0	109.9	K56 V59 I60 E71 Y75 N172 I175	K56-F67 HydrophobicContact CB-CZ 3.89Å; K56-F67 HydrophobicContact CG-CE1 4.29Å; K56-F67 HydrophobicContact CG-CZ 3.9Å; V59-F67 HydrophobicContact CG1-CE1 4.34Å; I60-F67 HydrophobicContact CD1-CE2 4.09Å; I60-F67 HydrophobicContact CG1-CE2 4.11Å; F67-E71 HydrophobicContact CB-CB 4.13Å; F67-E71 HydrophobicContact CD1-CB 4.32Å; F67-Y75 AromaticContact CD1-CE2 3.98Å; F67-Y75 HydrophobicContact CD1-CE2 3.98Å; F67-Y75 HydrophobicContact CE1-CE2 4.1Å; F67-N172 WeakPolarHBondContact CD2-OD1 3.23Å; F67-I175 HydrophobicContact CB-CD1 3.81Å; F67-I175 HydrophobicContact CD1-CG2 4.36Å; F67-I175 HydrophobicContact CD2-CB 4.21Å; F67-I175 HydrophobicContact CD2-CD1 3.42Å; F67-I175 VanDerWaalsContact CD2-CD1 3.42Å; F67-I175 HydrophobicContact CD2-CG1 4.4Å; F67-I175 HydrophobicContact CD2-CG2 3.84Å; F67-I175 HydrophobicContact CE1-CG2 4.06Å; F67-I175 HydrophobicContact CE2-CB 4.08Å; F67-I175 HydrophobicContact CE2-CD1 4.17Å; F67-I175 HydrophobicContact CE2-CG2 3.51Å; F67-I175 HydrophobicContact CG-CD1 3.69Å; F67-I175 HydrophobicContact CG-CG2 4.26Å; F67-I175 HydrophobicContact CZ-CG2 3.64Å
68	T	95.8	Very high	96.1	Very high	52 Å²	52	57.8 Å²	57.8	32%	0.319	30%	0.302	S	S	.	.			trans	-63.8	162.7	174.9	60.3	0	0	0	0	111.2	D70 E71 A72	T68-D70 VanDerWaalsContact C-N 3.29Å; T68-D70 PolarHBondContact O-N 3.15Å; T68-E71 WeakPolarHBondContact CB-OE2 3.37Å; T68-E71 WeakPolarHBondContact CG2-OE2 3.35Å; T68-E71 PolarHBondContact N-OE2 3.01Å; T68-E71 PolarHBondContact O-N 2.75Å; T68-E71 WeakPolarHBondContact OG1-CB 3.47Å; T68-E71 WeakPolarHBondContact OG1-CG 3.25Å; T68-E71 PolarHBondContact OG1-N 3.11Å; T68-E71 PolarHBondContact OG1-OE2 3.02Å; T68-A72 WeakPolarHBondContact O-CB 3.38Å; T68-A72 PolarHBondContact O-N 3.45Å
69	F	96.3	Very high	96.2	Very high	133 Å²	133	57.8 Å²	57.8	58%	0.583	30%	0.302	S	S	*	.	H	α-helix	trans	-53.7	-46.6	177.3	-177.8	-91.1	0	0	0	112.1	A72 M73 F169	F69-A72 PolarHBondContact O-N 3.48Å; F69-M73 HydrophobicContact CD1-CG 4.06Å; F69-M73 HydrophobicContact CE1-CG 3.63Å; F69-M73 HydrophobicContact CE2-CG 4.37Å; F69-M73 HydrophobicContact CZ-CG 3.81Å; F69-M73 HydrophobicContact CZ-SD 4.2Å; F69-M73 WeakPolarHBondContact O-CG 3.4Å; F69-M73 PolarHBondContact O-N 2.82Å; F69-F169 AromaticContact CD2-CE2 3.76Å; F69-F169 HydrophobicContact CD2-CE2 3.76Å; F69-F169 HydrophobicContact CE2-CE2 4.12Å
70	D	96.9	Very high	96.3	Very high	126 Å²	126	59.2 Å²	59.2	67%	0.674	31%	0.306	S	S	*	.	H	α-helix	trans	-66	-43.6	-178.6	-62.7	-30	0	0	0	112	T68 A72 M73 E74	T68-D70 VanDerWaalsContact C-N 3.29Å; T68-D70 PolarHBondContact O-N 3.15Å; D70-A72 PolarHBondContact O-N 2.96Å; D70-M73 PolarHBondContact O-N 2.9Å; D70-E74 PolarHBondContact O-N 2.84Å
71	E	96	Very high	96.3	Very high	60 Å²	60	61 Å²	61	28%	0.28	32%	0.32	S	S	.	.	H	α-helix	trans	-60.4	-45.8	174.6	-72.3	164.8	147.2	0	0	110.9	R64 F67 T68 M73 E74 Y75	R64-E71 IonicContact NH1-OE1 2.75Å; R64-E71 IonicContact NH1-OE2 3.59Å; F67-E71 HydrophobicContact CB-CB 4.13Å; F67-E71 HydrophobicContact CD1-CB 4.32Å; T68-E71 WeakPolarHBondContact CB-OE2 3.37Å; T68-E71 WeakPolarHBondContact CG2-OE2 3.35Å; T68-E71 PolarHBondContact N-OE2 3.01Å; T68-E71 PolarHBondContact O-N 2.75Å; T68-E71 WeakPolarHBondContact OG1-CB 3.47Å; T68-E71 WeakPolarHBondContact OG1-CG 3.25Å; T68-E71 PolarHBondContact OG1-N 3.11Å; T68-E71 PolarHBondContact OG1-OE2 3.02Å; E71-M73 PolarHBondContact O-N 2.91Å; E71-E74 PolarHBondContact O-N 2.93Å; E71-Y75 WeakPolarHBondContact O-CD2 3.47Å; E71-Y75 PolarHBondContact O-N 2.84Å
72	A	97.4	Very high	96.4	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.5	-39.4	178.6	0	0	0	0	0	111.9	T68 F69 D70 Y75 K76 F169 P170 I175	T68-A72 WeakPolarHBondContact O-CB 3.38Å; T68-A72 PolarHBondContact O-N 3.45Å; F69-A72 PolarHBondContact O-N 3.48Å; D70-A72 PolarHBondContact O-N 2.96Å; A72-Y75 PolarHBondContact O-N 2.81Å; A72-K76 PolarHBondContact O-N 2.81Å; A72-F169 HydrophobicContact CB-CE1 3.91Å; A72-F169 HydrophobicContact CB-CE2 3.85Å; A72-F169 HydrophobicContact CB-CZ 3.37Å; A72-P170 WeakPolarHBondContact O-CG 3.33Å; A72-I175 HydrophobicContact CB-CD1 4.42Å
73	M	97.2	Very high	96.5	Very high	59 Å²	59	57.8 Å²	57.8	29%	0.291	31%	0.306	S	S	.	.	H	α-helix	trans	-67.7	-36.3	175.9	-71.9	-54	97.5	0	0	112.6	F69 D70 E71 K76 A77 F169	F69-M73 HydrophobicContact CD1-CG 4.06Å; F69-M73 HydrophobicContact CE1-CG 3.63Å; F69-M73 HydrophobicContact CE2-CG 4.37Å; F69-M73 HydrophobicContact CZ-CG 3.81Å; F69-M73 HydrophobicContact CZ-SD 4.2Å; F69-M73 WeakPolarHBondContact O-CG 3.4Å; F69-M73 PolarHBondContact O-N 2.82Å; D70-M73 PolarHBondContact O-N 2.9Å; E71-M73 PolarHBondContact O-N 2.91Å; M73-K76 HydrophobicContact CE-CD 4.07Å; M73-K76 WeakPolarHBondContact O-CB 3.43Å; M73-K76 PolarHBondContact O-N 3.47Å; M73-K76 HydrophobicContact SD-CD 4.03Å; M73-A77 PolarHBondContact O-N 2.78Å; M73-F169 HydrophobicContact CE-CD2 3.37Å; M73-F169 HydrophobicContact CE-CE2 3.49Å; M73-F169 VanDerWaalsContact CE-CE2 3.49Å; M73-F169 HydrophobicContact CE-CG 4.39Å
74	E	96.9	Very high	96.7	Very high	101 Å²	101	56.6 Å²	56.6	47%	0.472	29%	0.289	S	S	.	.	H	α-helix	trans	-62.6	-46.1	171.2	-166.9	-171.3	163	0	0	110.9	D70 E71 K76 A77 V78 K180	D70-E74 PolarHBondContact O-N 2.84Å; E71-E74 PolarHBondContact O-N 2.93Å; E74-K76 VanDerWaalsContact C-N 3.3Å; E74-K76 PolarHBondContact O-N 2.91Å; E74-A77 PolarHBondContact O-N 3Å; E74-V78 WeakPolarHBondContact O-CG2 3.45Å; E74-V78 PolarHBondContact O-N 2.76Å; E74-K180 IonicContact OE1-NZ 3.41Å; E74-K180 PolarHBondContact OE1-NZ 3.11Å
75	Y	98	Very high	96.9	Very high	37 Å²	37	52.4 Å²	52.4	15%	0.145	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-32.7	176.5	-74.4	-59.6	0	0	0	112.8	K56 F67 E71 A72 A77 V78 I79 I175 C178	K56-Y75 VanDerWaalsContact CE-OH 3.29Å; K56-Y75 WeakPolarHBondContact CE-OH 3.29Å; F67-Y75 AromaticContact CD1-CE2 3.98Å; F67-Y75 HydrophobicContact CD1-CE2 3.98Å; F67-Y75 HydrophobicContact CE1-CE2 4.1Å; E71-Y75 WeakPolarHBondContact O-CD2 3.47Å; E71-Y75 PolarHBondContact O-N 2.84Å; A72-Y75 PolarHBondContact O-N 2.81Å; Y75-A77 VanDerWaalsContact C-N 3.33Å; Y75-A77 PolarHBondContact O-N 2.87Å; Y75-V78 PolarHBondContact O-N 2.97Å; Y75-V78 VanDerWaalsContact O-N 3.14Å; Y75-I79 WeakPolarHBondContact O-CB 3.45Å; Y75-I79 WeakPolarHBondContact O-CD1 3.27Å; Y75-I79 WeakPolarHBondContact O-CG1 3.41Å; Y75-I79 PolarHBondContact O-N 3.35Å; Y75-I175 HydrophobicContact CD1-CG2 4.21Å; Y75-I175 HydrophobicContact CD2-CB 4.35Å; Y75-I175 HydrophobicContact CD2-CD1 4.09Å; Y75-I175 HydrophobicContact CD2-CG1 3.96Å; Y75-I175 HydrophobicContact CD2-CG2 3.52Å; Y75-I175 HydrophobicContact CE1-CG2 4.24Å; Y75-I175 HydrophobicContact CE2-CG2 3.58Å; Y75-I175 HydrophobicContact CG-CB 4.46Å; Y75-I175 HydrophobicContact CG-CG1 4.06Å; Y75-I175 HydrophobicContact CG-CG2 3.87Å; Y75-C178 WeakPolarHBondContact CD1-SG 3.46Å
76	K	98.1	Very high	97	Very high	36 Å²	36	50.9 Å²	50.9	16%	0.157	26%	0.263	C	S	.	.	H	α-helix	trans	-55.8	-48.1	174.9	-173.6	173.1	176.5	169.4	0	111.2	A72 M73 E74 V78 I79 Y80 Y168 P170	A72-K76 PolarHBondContact O-N 2.81Å; M73-K76 HydrophobicContact CE-CD 4.07Å; M73-K76 WeakPolarHBondContact O-CB 3.43Å; M73-K76 PolarHBondContact O-N 3.47Å; M73-K76 HydrophobicContact SD-CD 4.03Å; E74-K76 VanDerWaalsContact C-N 3.3Å; E74-K76 PolarHBondContact O-N 2.91Å; K76-V78 VanDerWaalsContact C-N 3.33Å; K76-V78 PolarHBondContact O-N 3.43Å; K76-I79 PolarHBondContact O-N 2.98Å; K76-Y80 WeakPolarHBondContact CE-OH 2.92Å; K76-Y80 HydrophobicContact CG-CE1 4.31Å; K76-Y80 HydrophobicContact CG-CE2 4.02Å; K76-Y80 PolarHBondContact O-N 3.46Å; K76-Y168 HydrophobicContact CD-CD1 4.37Å; K76-Y168 WeakPolarHBondContact CE-O 3.37Å; K76-Y168 HydrophobicContact CG-CD1 4.2Å; K76-Y168 HydrophobicContact CG-CE1 4.15Å; K76-Y168 PolarHBondContact NZ-O 3.48Å; K76-P170 HydrophobicContact CB-CG 3.68Å; K76-P170 HydrophobicContact CG-CG 4.24Å
77	A	96.9	Very high	97.2	Very high	63 Å²	63	44.5 Å²	44.5	52%	0.521	23%	0.234	S	C	.	.	H	α-helix	trans	-63.3	-38.9	177.3	0	0	0	0	0	112.4	M73 E74 Y75 S81	M73-A77 PolarHBondContact O-N 2.78Å; E74-A77 PolarHBondContact O-N 3Å; Y75-A77 VanDerWaalsContact C-N 3.33Å; Y75-A77 PolarHBondContact O-N 2.87Å; A77-S81 PolarHBondContact O-N 2.92Å; A77-S81 VanDerWaalsContact O-N 3.13Å
78	V	97.7	Very high	97.3	Very high	28 Å²	28	48.7 Å²	48.7	17%	0.17	25%	0.249	C	C	.	.	H	α-helix	trans	-65.9	-44.3	176.5	177.3	0	0	0	0	111.5	E74 Y75 K76 Y80 S81 N82 K180	E74-V78 WeakPolarHBondContact O-CG2 3.45Å; E74-V78 PolarHBondContact O-N 2.76Å; Y75-V78 PolarHBondContact O-N 2.97Å; Y75-V78 VanDerWaalsContact O-N 3.14Å; K76-V78 VanDerWaalsContact C-N 3.33Å; K76-V78 PolarHBondContact O-N 3.43Å; V78-Y80 VanDerWaalsContact C-N 3.34Å; V78-Y80 PolarHBondContact O-N 2.79Å; V78-S81 WeakPolarHBondContact O-CB 3.46Å; V78-S81 PolarHBondContact O-N 3.49Å; V78-N82 PolarHBondContact O-N 3.22Å; V78-N82 PolarHBondContact O-ND2 2.67Å; V78-K180 HydrophobicContact CG1-CB 4.22Å; V78-K180 HydrophobicContact CG2-CD 4.44Å
79	I	98.4	Very high	97.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.1	-46.9	178.1	-71.6	158.3	0	0	0	110.2	Y75 K76 S81 N82 I83 F156 P170 D174 C178	Y75-I79 WeakPolarHBondContact O-CB 3.45Å; Y75-I79 WeakPolarHBondContact O-CD1 3.27Å; Y75-I79 WeakPolarHBondContact O-CG1 3.41Å; Y75-I79 PolarHBondContact O-N 3.35Å; K76-I79 PolarHBondContact O-N 2.98Å; I79-S81 VanDerWaalsContact C-N 3.34Å; I79-S81 PolarHBondContact O-N 3.48Å; I79-N82 WeakPolarHBondContact O-CB 3.49Å; I79-N82 PolarHBondContact O-N 3.32Å; I79-N82 VanDerWaalsContact O-N 3.15Å; I79-I83 HydrophobicContact CG2-CD1 3.89Å; I79-I83 WeakPolarHBondContact O-CG1 3.47Å; I79-I83 PolarHBondContact O-N 3.42Å; I79-F156 HydrophobicContact CG1-CE1 4.21Å; I79-F156 HydrophobicContact CG1-CZ 4.13Å; I79-F156 HydrophobicContact CG2-CD1 3.98Å; I79-F156 HydrophobicContact CG2-CE1 3.73Å; I79-F156 HydrophobicContact CG2-CZ 4.23Å; I79-P170 HydrophobicContact CD1-CB 3.89Å; I79-P170 HydrophobicContact CD1-CG 4.02Å; I79-D174 HydrophobicContact CD1-CB 3.84Å; I79-C178 HydrophobicContact CD1-CB 4.35Å; I79-C178 HydrophobicContact CG1-CB 3.53Å
80	Y	98	Very high	97.4	Very high	47 Å²	47	42.1 Å²	42.1	18%	0.184	22%	0.22	C	C	.	.	H	α-helix	trans	-56.6	-47.7	175.2	-70.5	-8.4	0	0	0	111.8	K76 V78 N82 I83 L84 F121 I163 Y168	K76-Y80 WeakPolarHBondContact CE-OH 2.92Å; K76-Y80 HydrophobicContact CG-CE1 4.31Å; K76-Y80 HydrophobicContact CG-CE2 4.02Å; K76-Y80 PolarHBondContact O-N 3.46Å; V78-Y80 VanDerWaalsContact C-N 3.34Å; V78-Y80 PolarHBondContact O-N 2.79Å; Y80-N82 PolarHBondContact O-N 3.17Å; Y80-I83 PolarHBondContact O-N 2.88Å; Y80-L84 WeakPolarHBondContact O-CG 3.37Å; Y80-L84 PolarHBondContact O-N 2.87Å; Y80-L84 VanDerWaalsContact O-N 3.1Å; Y80-F121 HydrophobicContact CD1-CB 4.47Å; Y80-F121 AromaticContact CD1-CD1 3.46Å; Y80-F121 HydrophobicContact CD1-CD1 3.46Å; Y80-F121 VanDerWaalsContact CD1-CD1 3.46Å; Y80-F121 AromaticContact CD1-CD2 3.77Å; Y80-F121 HydrophobicContact CD1-CD2 3.77Å; Y80-F121 AromaticContact CD1-CE1 3.47Å; Y80-F121 HydrophobicContact CD1-CE1 3.47Å; Y80-F121 VanDerWaalsContact CD1-CE1 3.47Å; Y80-F121 AromaticContact CD1-CE2 3.78Å; Y80-F121 HydrophobicContact CD1-CE2 3.78Å; Y80-F121 AromaticContact CD1-CG 3.62Å; Y80-F121 HydrophobicContact CD1-CG 3.62Å; Y80-F121 AromaticContact CD1-CZ 3.64Å; Y80-F121 HydrophobicContact CD1-CZ 3.64Å; Y80-F121 HydrophobicContact CD2-CB 3.72Å; Y80-F121 AromaticContact CD2-CD1 3.76Å; Y80-F121 HydrophobicContact CD2-CD1 3.76Å; Y80-F121 HydrophobicContact CD2-CD2 4.5Å; Y80-F121 AromaticContact CD2-CG 3.73Å; Y80-F121 HydrophobicContact CD2-CG 3.73Å; Y80-F121 AromaticContact CE1-CD1 3.41Å; Y80-F121 HydrophobicContact CE1-CD1 3.41Å; Y80-F121 VanDerWaalsContact CE1-CD1 3.41Å; Y80-F121 AromaticContact CE1-CE1 3.22Å; Y80-F121 HydrophobicContact CE1-CE1 3.22Å; Y80-F121 HydrophobicContact CE1-CE2 4.36Å; Y80-F121 HydrophobicContact CE1-CG 4.07Å; Y80-F121 AromaticContact CE1-CZ 3.76Å; Y80-F121 HydrophobicContact CE1-CZ 3.76Å; Y80-F121 HydrophobicContact CE2-CB 4.33Å; Y80-F121 AromaticContact CE2-CD1 3.71Å; Y80-F121 HydrophobicContact CE2-CD1 3.71Å; Y80-F121 HydrophobicContact CE2-CE1 4.36Å; Y80-F121 HydrophobicContact CE2-CG 4.17Å; Y80-F121 HydrophobicContact CG-CB 3.78Å; Y80-F121 AromaticContact CG-CD1 3.62Å; Y80-F121 HydrophobicContact CG-CD1 3.62Å; Y80-F121 AromaticContact CG-CD2 3.74Å; Y80-F121 HydrophobicContact CG-CD2 3.74Å; Y80-F121 HydrophobicContact CG-CE1 4.13Å; Y80-F121 HydrophobicContact CG-CE2 4.24Å; Y80-F121 AromaticContact CG-CG 3.4Å; Y80-F121 HydrophobicContact CG-CG 3.4Å; Y80-F121 VanDerWaalsContact CG-CG 3.4Å; Y80-F121 HydrophobicContact CG-CZ 4.42Å; Y80-F121 AromaticContact CZ-CD1 3.51Å; Y80-F121 AromaticContact CZ-CE1 3.69Å; Y80-I163 HydrophobicContact CD1-CG2 4.2Å; Y80-I163 HydrophobicContact CE1-CG2 3.76Å; Y80-Y168 AromaticContact CE1-CD1 3.82Å; Y80-Y168 HydrophobicContact CE1-CD1 3.82Å; Y80-Y168 AromaticContact CE1-CE1 3.98Å; Y80-Y168 HydrophobicContact CE1-CE1 3.98Å
81	S	96.9	Very high	97.5	Very high	57 Å²	57	36.6 Å²	36.6	40%	0.399	19%	0.19	S	C	.	.	H	α-helix	trans	-61.2	-41.6	175.7	-176.9	0	0	0	0	112.6	A77 V78 I79 I83 L84 N85	A77-S81 PolarHBondContact O-N 2.92Å; A77-S81 VanDerWaalsContact O-N 3.13Å; V78-S81 WeakPolarHBondContact O-CB 3.46Å; V78-S81 PolarHBondContact O-N 3.49Å; I79-S81 VanDerWaalsContact C-N 3.34Å; I79-S81 PolarHBondContact O-N 3.48Å; S81-I83 PolarHBondContact O-N 2.94Å; S81-L84 PolarHBondContact O-N 3.05Å; S81-N85 WeakPolarHBondContact O-CB 3.4Å; S81-N85 VanDerWaalsContact O-CG 3.23Å; S81-N85 PolarHBondContact O-N 3.14Å; S81-N85 PolarHBondContact O-ND2 3.34Å; S81-N85 VanDerWaalsContact O-ND2 3.13Å; S81-N85 PolarHBondContact OG-ND2 3.02Å
82	N	97.9	Very high	97.5	Very high	27 Å²	27	36.3 Å²	36.3	14%	0.144	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-43.1	177	-68.4	173.2	0	0	0	112	V78 I79 Y80 G86 R179	V78-N82 PolarHBondContact O-N 3.22Å; V78-N82 PolarHBondContact O-ND2 2.67Å; I79-N82 WeakPolarHBondContact O-CB 3.49Å; I79-N82 PolarHBondContact O-N 3.32Å; I79-N82 VanDerWaalsContact O-N 3.15Å; Y80-N82 PolarHBondContact O-N 3.17Å; N82-G86 PolarHBondContact O-N 3.15Å; N82-R179 PolarHBondContact ND2-O 3.24Å; N82-R179 PolarHBondContact OD1-N 3.24Å; N82-R179 PolarHBondContact OD1-O 2.99Å
83	I	98.3	Very high	97.6	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-62.4	-51.4	178	-69.2	165.9	0	0	0	110.8	I79 Y80 S81 N85 G86 M87 F121 V128 F156 L157 I160 I163	I79-I83 HydrophobicContact CG2-CD1 3.89Å; I79-I83 WeakPolarHBondContact O-CG1 3.47Å; I79-I83 PolarHBondContact O-N 3.42Å; Y80-I83 PolarHBondContact O-N 2.88Å; S81-I83 PolarHBondContact O-N 2.94Å; I83-N85 VanDerWaalsContact C-N 3.33Å; I83-N85 PolarHBondContact O-N 2.69Å; I83-G86 PolarHBondContact O-N 3.21Å; I83-M87 PolarHBondContact O-N 3.45Å; I83-F121 HydrophobicContact CB-CE2 4.07Å; I83-F121 HydrophobicContact CD1-CE2 3.86Å; I83-F121 HydrophobicContact CD1-CZ 4.08Å; I83-F121 HydrophobicContact CG2-CE2 3.94Å; I83-V128 HydrophobicContact CG2-CG1 3.87Å; I83-F156 HydrophobicContact CD1-CB 4.01Å; I83-F156 HydrophobicContact CD1-CG 4.41Å; I83-F156 HydrophobicContact CG1-CB 3.6Å; I83-F156 HydrophobicContact CG1-CG 4.08Å; I83-L157 HydrophobicContact CG2-CD2 4.35Å; I83-I160 HydrophobicContact CD1-CD1 4.41Å; I83-I160 HydrophobicContact CG2-CD1 4.15Å; I83-I163 HydrophobicContact CD1-CD1 4.11Å; I83-I163 HydrophobicContact CD1-CG2 3.78Å
84	L	97.4	Very high	97.6	Very high	16 Å²	16	33.9 Å²	33.9	8%	0.084	19%	0.187	C	C	.	.	H	α-helix	trans	-62.6	-42.2	-177.8	-61.1	179.4	0	0	0	111.3	Y80 S81 M87 R88 F115 F121 C124 V128	Y80-L84 WeakPolarHBondContact O-CG 3.37Å; Y80-L84 PolarHBondContact O-N 2.87Å; Y80-L84 VanDerWaalsContact O-N 3.1Å; S81-L84 PolarHBondContact O-N 3.05Å; L84-M87 PolarHBondContact O-N 2.79Å; L84-R88 VanDerWaalsContact O-CG 3.29Å; L84-R88 WeakPolarHBondContact O-CG 3.24Å; L84-R88 PolarHBondContact O-N 3.18Å; L84-F115 HydrophobicContact CD2-CE2 3.74Å; L84-F115 HydrophobicContact CD2-CZ 4.43Å; L84-F121 HydrophobicContact CD1-CB 4.47Å; L84-F121 HydrophobicContact CD1-CD2 4.45Å; L84-F121 HydrophobicContact CD2-CD2 4.04Å; L84-F121 HydrophobicContact CG-CD2 4.09Å; L84-C124 HydrophobicContact CD2-CB 3.46Å; L84-C124 VanDerWaalsContact CD2-CB 3.46Å; L84-V128 HydrophobicContact CD2-CG2 4.16Å
85	N	96.4	Very high	97.6	Very high	74 Å²	74	34.2 Å²	34.2	40%	0.396	19%	0.192	S	C	.	.	H	α-helix	trans	-68.5	-39	177.3	-68	-26.6	0	0	0	112.1	S81 I83 R88 T89	S81-N85 WeakPolarHBondContact O-CB 3.4Å; S81-N85 VanDerWaalsContact O-CG 3.23Å; S81-N85 PolarHBondContact O-N 3.14Å; S81-N85 PolarHBondContact O-ND2 3.34Å; S81-N85 VanDerWaalsContact O-ND2 3.13Å; S81-N85 PolarHBondContact OG-ND2 3.02Å; I83-N85 VanDerWaalsContact C-N 3.33Å; I83-N85 PolarHBondContact O-N 2.69Å; N85-R88 PolarHBondContact O-N 2.91Å; N85-R88 PolarHBondContact OD1-NH1 2.87Å; N85-T89 WeakPolarHBondContact O-CB 3.43Å; N85-T89 PolarHBondContact O-N 3.14Å; N85-T89 PolarHBondContact O-OG1 3.29Å; N85-T89 VanDerWaalsContact O-OG1 3.1Å
86	G	97.6	Very high	97.5	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-59.2	-47.7	174	0	0	0	0	0	112.1	N82 I83 T89 L90 L149	N82-G86 PolarHBondContact O-N 3.15Å; I83-G86 PolarHBondContact O-N 3.21Å; G86-T89 PolarHBondContact O-N 2.83Å; G86-L90 PolarHBondContact O-N 2.81Å; G86-L149 WeakPolarHBondContact O-CD1 3.29Å
87	M	97.9	Very high	97.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-43.7	176.9	-178.2	54.5	73.8	0	0	112.1	I83 L84 T89 L90 I91 F115 V128 L131 W132 L137 L157	I83-M87 PolarHBondContact O-N 3.45Å; L84-M87 PolarHBondContact O-N 2.79Å; M87-T89 PolarHBondContact O-N 3.37Å; M87-L90 PolarHBondContact O-N 2.83Å; M87-I91 HydrophobicContact CG-CD1 3.87Å; M87-I91 HydrophobicContact CG-CG1 4.43Å; M87-I91 WeakPolarHBondContact O-CG1 3.37Å; M87-I91 PolarHBondContact O-N 3.33Å; M87-I91 HydrophobicContact SD-CD1 4.04Å; M87-I91 HydrophobicContact SD-CG1 4.04Å; M87-F115 HydrophobicContact CB-CE1 4.48Å; M87-F115 HydrophobicContact CB-CE2 4.49Å; M87-F115 HydrophobicContact CB-CZ 3.91Å; M87-F115 HydrophobicContact CG-CE1 4Å; M87-F115 HydrophobicContact CG-CE2 4.24Å; M87-F115 HydrophobicContact CG-CZ 3.77Å; M87-V128 HydrophobicContact CB-CG2 4.47Å; M87-V128 HydrophobicContact CE-CG1 3.86Å; M87-V128 HydrophobicContact CG-CG2 4.31Å; M87-L131 HydrophobicContact CE-CB 3.94Å; M87-L131 HydrophobicContact CG-CD1 4.37Å; M87-L131 HydrophobicContact SD-CB 4.03Å; M87-L131 HydrophobicContact SD-CD1 4.32Å; M87-W132 HydrophobicContact CE-CB 4.09Å; M87-L137 HydrophobicContact SD-CD1 4.09Å; M87-L157 HydrophobicContact CE-CD1 4.23Å; M87-L157 HydrophobicContact CE-CD2 3.82Å
88	R	97.2	Very high	97.3	Very high	103 Å²	103	41.2 Å²	41.2	39%	0.389	22%	0.224	S	C	.	.	H	α-helix	trans	-58.6	-45.2	175	-74.4	176	-167.4	121.7	1.8	112.3	L84 N85 L90 I91 A92 F115	L84-R88 VanDerWaalsContact O-CG 3.29Å; L84-R88 WeakPolarHBondContact O-CG 3.24Å; L84-R88 PolarHBondContact O-N 3.18Å; N85-R88 PolarHBondContact O-N 2.91Å; N85-R88 PolarHBondContact OD1-NH1 2.87Å; R88-L90 VanDerWaalsContact C-N 3.32Å; R88-L90 PolarHBondContact O-N 3.13Å; R88-I91 PolarHBondContact O-N 2.8Å; R88-A92 WeakPolarHBondContact O-CB 3.25Å; R88-A92 PolarHBondContact O-N 3.37Å; R88-F115 HydrophobicContact CG-CE1 3.62Å; R88-F115 HydrophobicContact CG-CZ 3.88Å
89	T	97.5	Very high	97.1	Very high	47 Å²	47	44 Å²	44	29%	0.288	24%	0.238	S	C	.	.	H	α-helix	trans	-60.9	-43.3	176.6	-65.4	0	0	0	0	111.2	N85 G86 M87 A92 A93 F147 L149	N85-T89 WeakPolarHBondContact O-CB 3.43Å; N85-T89 PolarHBondContact O-N 3.14Å; N85-T89 PolarHBondContact O-OG1 3.29Å; N85-T89 VanDerWaalsContact O-OG1 3.1Å; G86-T89 PolarHBondContact O-N 2.83Å; M87-T89 PolarHBondContact O-N 3.37Å; T89-A92 PolarHBondContact O-N 2.86Å; T89-A93 WeakPolarHBondContact O-CB 3.28Å; T89-A93 PolarHBondContact O-N 3.41Å; T89-F147 HydrophobicContact CG2-CD2 3.8Å; T89-F147 HydrophobicContact CG2-CE2 4.22Å; T89-L149 HydrophobicContact CG2-CD1 4.01Å
90	L	97.8	Very high	96.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.3	-43	-179.9	-171.4	64.1	0	0	0	112.1	G86 M87 R88 A93 K94 W132 L137 T140 F141 F147 L157	G86-L90 PolarHBondContact O-N 2.81Å; M87-L90 PolarHBondContact O-N 2.83Å; R88-L90 VanDerWaalsContact C-N 3.32Å; R88-L90 PolarHBondContact O-N 3.13Å; L90-A93 PolarHBondContact O-N 3.24Å; L90-K94 WeakPolarHBondContact O-CB 3.5Å; L90-K94 PolarHBondContact O-N 2.99Å; L90-W132 HydrophobicContact CD2-CE3 4.02Å; L90-W132 HydrophobicContact CD2-CZ3 3.76Å; L90-L137 HydrophobicContact CD2-CB 4.13Å; L90-L137 HydrophobicContact CD2-CD2 4.39Å; L90-L137 HydrophobicContact CG-CD2 4.1Å; L90-T140 HydrophobicContact CD1-CG2 4.05Å; L90-F141 HydrophobicContact CD1-CB 4.02Å; L90-F147 HydrophobicContact CD1-CE2 4.24Å; L90-F147 HydrophobicContact CD1-CZ 3.89Å; L90-L157 HydrophobicContact CD2-CD1 4.46Å
91	I	97.6	Very high	96.8	Very high	11 Å²	11	47.8 Å²	47.8	6%	0.056	27%	0.268	C	S	.	.	H	α-helix	trans	-60.6	-46.7	173.8	-67.1	164.2	0	0	0	110.5	M87 R88 A93 K94 L95 I112 F115 L131 L137	M87-I91 HydrophobicContact CG-CD1 3.87Å; M87-I91 HydrophobicContact CG-CG1 4.43Å; M87-I91 WeakPolarHBondContact O-CG1 3.37Å; M87-I91 PolarHBondContact O-N 3.33Å; M87-I91 HydrophobicContact SD-CD1 4.04Å; M87-I91 HydrophobicContact SD-CG1 4.04Å; R88-I91 PolarHBondContact O-N 2.8Å; I91-A93 VanDerWaalsContact C-N 3.32Å; I91-A93 PolarHBondContact O-N 3.27Å; I91-K94 PolarHBondContact O-N 3.01Å; I91-K94 VanDerWaalsContact O-N 3.16Å; I91-L95 HydrophobicContact CG2-CD1 4.17Å; I91-L95 HydrophobicContact CG2-CG 4.49Å; I91-L95 WeakPolarHBondContact O-CG 3.17Å; I91-L95 PolarHBondContact O-N 3.31Å; I91-I112 HydrophobicContact CD1-CG1 4.32Å; I91-I112 HydrophobicContact CG2-CD1 4.12Å; I91-I112 HydrophobicContact CG2-CG1 4.46Å; I91-I112 HydrophobicContact CG2-CG2 4.09Å; I91-F115 HydrophobicContact CD1-CD1 3.78Å; I91-F115 HydrophobicContact CD1-CE1 3.79Å; I91-L131 HydrophobicContact CD1-CD1 4.08Å; I91-L137 HydrophobicContact CG1-CD2 4.4Å
92	A	97.4	Very high	96.8	Very high	53 Å²	53	46.8 Å²	46.8	44%	0.438	26%	0.256	S	S	.	.	H	α-helix	trans	-59.8	-43.1	178.3	0	0	0	0	0	111.7	R88 T89 L95 V96	R88-A92 WeakPolarHBondContact O-CB 3.25Å; R88-A92 PolarHBondContact O-N 3.37Å; T89-A92 PolarHBondContact O-N 2.86Å; A92-L95 PolarHBondContact O-N 3.34Å; A92-V96 WeakPolarHBondContact O-CG2 3.49Å; A92-V96 PolarHBondContact O-N 2.92Å; A92-V96 VanDerWaalsContact O-N 3.15Å
93	A	97.9	Very high	96.7	Very high	7 Å²	7	49.8 Å²	49.8	6%	0.058	27%	0.269	C	S	.	.	H	α-helix	trans	-61.7	-44.6	174.3	0	0	0	0	0	111.7	T89 L90 I91 L95 V96 Y97 T140 F147	T89-A93 WeakPolarHBondContact O-CB 3.28Å; T89-A93 PolarHBondContact O-N 3.41Å; L90-A93 PolarHBondContact O-N 3.24Å; I91-A93 VanDerWaalsContact C-N 3.32Å; I91-A93 PolarHBondContact O-N 3.27Å; A93-L95 VanDerWaalsContact C-N 3.27Å; A93-L95 PolarHBondContact O-N 2.57Å; A93-V96 PolarHBondContact O-N 3.43Å; A93-Y97 HydrophobicContact CB-CD2 4.26Å; A93-Y97 HydrophobicContact CB-CE2 4.22Å; A93-Y97 WeakPolarHBondContact O-CD2 3.37Å; A93-Y97 PolarHBondContact O-N 3.39Å; A93-T140 HydrophobicContact CB-CG2 3.83Å; A93-F147 HydrophobicContact CB-CD1 3.7Å; A93-F147 HydrophobicContact CB-CD2 3.81Å; A93-F147 HydrophobicContact CB-CE1 3.66Å; A93-F147 HydrophobicContact CB-CE2 3.78Å; A93-F147 HydrophobicContact CB-CG 3.77Å; A93-F147 HydrophobicContact CB-CZ 3.71Å
94	K	97.4	Very high	96.6	Very high	1 Å²	1	54.6 Å²	54.6	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-61	-36.2	179.2	173.6	60.4	-170.9	70.9	0	112.5	L90 I91 N98 S100 W102 A136 L137 T140	L90-K94 WeakPolarHBondContact O-CB 3.5Å; L90-K94 PolarHBondContact O-N 2.99Å; I91-K94 PolarHBondContact O-N 3.01Å; I91-K94 VanDerWaalsContact O-N 3.16Å; K94-N98 PolarHBondContact NZ-OD1 3.24Å; K94-N98 VanDerWaalsContact NZ-OD1 3.13Å; K94-N98 WeakPolarHBondContact O-CA 3.48Å; K94-N98 PolarHBondContact O-N 3.46Å; K94-S100 WeakPolarHBondContact CE-O 3.39Å; K94-S100 PolarHBondContact NZ-O 2.93Å; K94-W102 HydrophobicContact CB-CH2 4.02Å; K94-W102 HydrophobicContact CB-CZ3 4.46Å; K94-W102 HydrophobicContact CD-CH2 4.44Å; K94-W102 HydrophobicContact CD-CZ3 4.35Å; K94-W102 HydrophobicContact CG-CE3 4.29Å; K94-W102 HydrophobicContact CG-CH2 3.24Å; K94-W102 HydrophobicContact CG-CZ2 3.88Å; K94-W102 HydrophobicContact CG-CZ3 3.49Å; K94-W102 VanDerWaalsContact CG-CZ3 3.49Å; K94-A136 HydrophobicContact CD-CB 4.15Å; K94-L137 HydrophobicContact CB-CD2 3.8Å; K94-L137 HydrophobicContact CG-CD2 4.05Å; K94-T140 HydrophobicContact CB-CG2 4.01Å; K94-T140 WeakPolarHBondContact CD-OG1 3.16Å
95	L	96.6	Very high	96.5	Very high	109 Å²	109	57.8 Å²	57.8	57%	0.571	31%	0.312	S	S	*	.	H	α-helix	trans	-70.4	-31.2	175.1	-67.2	174.2	0	0	0	112.7	I91 A92 A93 W102	I91-L95 HydrophobicContact CG2-CD1 4.17Å; I91-L95 HydrophobicContact CG2-CG 4.49Å; I91-L95 WeakPolarHBondContact O-CG 3.17Å; I91-L95 PolarHBondContact O-N 3.31Å; A92-L95 PolarHBondContact O-N 3.34Å; A93-L95 VanDerWaalsContact C-N 3.27Å; A93-L95 PolarHBondContact O-N 2.57Å; L95-W102 HydrophobicContact CD2-CZ2 4.03Å
96	V	96.7	Very high	96.4	Very high	112 Å²	112	62.6 Å²	62.6	68%	0.679	33%	0.332	S	S	*	.	H	α-helix	trans	-77.2	-50.8	178.1	169.9	0	0	0	0	112	A92 A93	A92-V96 WeakPolarHBondContact O-CG2 3.49Å; A92-V96 PolarHBondContact O-N 2.92Å; A92-V96 VanDerWaalsContact O-N 3.15Å; A93-V96 PolarHBondContact O-N 3.43Å
97	Y	96.1	Very high	96.3	Very high	69 Å²	69	69 Å²	69	27%	0.271	36%	0.356	S	S	.	.	H	α-helix	trans	-77.6	-42	-176.3	-66.4	-71.3	0	0	0	112.1	A93 D99 D146 F147	A93-Y97 HydrophobicContact CB-CD2 4.26Å; A93-Y97 HydrophobicContact CB-CE2 4.22Å; A93-Y97 WeakPolarHBondContact O-CD2 3.37Å; A93-Y97 PolarHBondContact O-N 3.39Å; Y97-D99 PolarHBondContact O-N 2.93Å; Y97-D146 HydrophobicContact CE1-CB 4.47Å; Y97-D146 WeakPolarHBondContact OH-CB 3.18Å; Y97-D146 PolarHBondContact OH-O 2.87Å; Y97-F147 AromaticContact CE2-CD1 3.81Å; Y97-F147 HydrophobicContact CE2-CD1 3.81Å; Y97-F147 HydrophobicContact CE2-CE1 4.36Å
98	N	94.5	Very high	96.2	Very high	102 Å²	102	69.2 Å²	69.2	55%	0.545	36%	0.357	S	S	.	.			trans	46.9	36.9	176.5	-161.8	45.6	0	0	0	115.3	K94 S100	K94-N98 PolarHBondContact NZ-OD1 3.24Å; K94-N98 VanDerWaalsContact NZ-OD1 3.13Å; K94-N98 WeakPolarHBondContact O-CA 3.48Å; K94-N98 PolarHBondContact O-N 3.46Å; N98-S100 PolarHBondContact O-N 2.9Å
99	D	93.1	Very high	96.1	Very high	87 Å²	87	67.1 Å²	67.1	47%	0.465	36%	0.357	S	S	.	.			trans	-64.8	-22.7	-176.7	-66.8	-35.8	0	0	0	113.1	Y97 R143	Y97-D99 PolarHBondContact O-N 2.93Å; D99-R143 IonicContact OD1-NH1 2.84Å; D99-R143 VanDerWaalsContact OD2-CD 3.28Å; D99-R143 WeakPolarHBondContact OD2-CD 3.42Å; D99-R143 IonicContact OD2-CZ 3.98Å; D99-R143 IonicContact OD2-NE 2.89Å; D99-R143 IonicContact OD2-NH1 3.53Å; D99-R143 PolarHBondContact OD2-NH1 3.02Å
100	S	94.9	Very high	96.1	Very high	23 Å²	23	69.1 Å²	69.1	16%	0.161	37%	0.365	C	S	.	.	S	Bend	trans	-143.6	155	-179.8	54.7	0	0	0	0	112.4	K94 N98 Q139	K94-S100 WeakPolarHBondContact CE-O 3.39Å; K94-S100 PolarHBondContact NZ-O 2.93Å; N98-S100 PolarHBondContact O-N 2.9Å; S100-Q139 PolarHBondContact OG-OE1 3.24Å
101	P	96	Very high	96	Very high	103 Å²	103	69.7 Å²	69.7	67%	0.669	37%	0.368	S	S	*	.			trans	-67.3	158	169.6	30.7	-35.2	0	0	0	110.8	A136	P101-A136 WeakPolarHBondContact O-CB 3.11Å
102	W	97.2	Very high	95.9	Very high	36 Å²	36	70.2 Å²	70.2	14%	0.136	37%	0.37	C	S	.	.			trans	-57.7	145	167.6	-59.5	114.7	0	0	0	110.5	K94 L95 F104 P105 T108 I112 A136 L137	K94-W102 HydrophobicContact CB-CH2 4.02Å; K94-W102 HydrophobicContact CB-CZ3 4.46Å; K94-W102 HydrophobicContact CD-CH2 4.44Å; K94-W102 HydrophobicContact CD-CZ3 4.35Å; K94-W102 HydrophobicContact CG-CE3 4.29Å; K94-W102 HydrophobicContact CG-CH2 3.24Å; K94-W102 HydrophobicContact CG-CZ2 3.88Å; K94-W102 HydrophobicContact CG-CZ3 3.49Å; K94-W102 VanDerWaalsContact CG-CZ3 3.49Å; L95-W102 HydrophobicContact CD2-CZ2 4.03Å; W102-F104 PolarHBondContact O-N 3.4Å; W102-P105 WeakPolarHBondContact O-CD 3.18Å; W102-P105 WeakPolarHBondContact O-CG 3.49Å; W102-T108 HydrophobicContact CB-CG2 4.32Å; W102-T108 HydrophobicContact CD2-CG2 3.62Å; W102-T108 HydrophobicContact CE3-CG2 3.44Å; W102-T108 VanDerWaalsContact CE3-CG2 3.44Å; W102-T108 HydrophobicContact CG-CG2 4.02Å; W102-T108 HydrophobicContact CH2-CG2 4.48Å; W102-T108 HydrophobicContact CZ3-CG2 3.88Å; W102-I112 HydrophobicContact CH2-CD1 3.63Å; W102-I112 HydrophobicContact CZ2-CD1 3.61Å; W102-I112 HydrophobicContact CZ3-CD1 4.33Å; W102-A136 HydrophobicContact CE3-CB 4.14Å; W102-L137 HydrophobicContact CH2-CD2 4.15Å; W102-L137 HydrophobicContact CZ3-CD2 3.8Å; W102-L137 HydrophobicContact CZ3-CG 3.91Å
103	E	96.4	Very high	95.9	Very high	89 Å²	89	74.3 Å²	74.3	42%	0.416	38%	0.38	S	S	.	.	S	Bend	trans	-60.2	-36.5	176.1	-171.7	170.3	160.3	0	0	111.7	P105 D134 S135	E103-P105 WeakPolarHBondContact O-CD 3.34Å; E103-D134 PolarHBondContact N-OD1 3.32Å; E103-D134 PolarHBondContact N-OD2 3.3Å; E103-S135 VanDerWaalsContact OE2-CB 3.29Å; E103-S135 WeakPolarHBondContact OE2-CB 3.35Å; E103-S135 PolarHBondContact OE2-N 3.38Å; E103-S135 PolarHBondContact OE2-OG 3.29Å
104	F	95.8	Very high	95.8	Very high	104 Å²	104	79.1 Å²	79.1	46%	0.456	40%	0.4	S	S	.	.	S	Bend	trans	-121.2	82.4	174.5	-53.6	-75.2	0	0	0	110.6	W102 E106 R107 T108	W102-F104 PolarHBondContact O-N 3.4Å; F104-E106 VanDerWaalsContact C-N 3.26Å; F104-E106 PolarHBondContact O-N 2.83Å; F104-E106 VanDerWaalsContact O-N 3.08Å; F104-R107 HydrophobicContact CB-CB 3.93Å; F104-R107 PolarHBondContact O-N 2.72Å; F104-T108 WeakPolarHBondContact O-CB 3.4Å; F104-T108 PolarHBondContact O-N 3.25Å; F104-T108 PolarHBondContact O-OG1 2.92Å
105	P	94.2	Very high	95.7	Very high	83 Å²	83	79.1 Å²	79.1	54%	0.539	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-31.8	-170.5	-28.6	35.5	0	0	0	116.2	W102 E103 P109	W102-P105 WeakPolarHBondContact O-CD 3.18Å; W102-P105 WeakPolarHBondContact O-CG 3.49Å; E103-P105 WeakPolarHBondContact O-CD 3.34Å; P105-P109 WeakPolarHBondContact O-CD 3.44Å; P105-P109 VanDerWaalsContact O-CG 3.25Å; P105-P109 WeakPolarHBondContact O-CG 3.19Å
106	E	94.9	Very high	95.6	Very high	175 Å²	175	78.6 Å²	78.6	82%	0.818	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-34.8	178.9	-61.6	-177.9	175.4	0	0	112.5	F104 I110	F104-E106 VanDerWaalsContact C-N 3.26Å; F104-E106 PolarHBondContact O-N 2.83Å; F104-E106 VanDerWaalsContact O-N 3.08Å; E106-I110 WeakPolarHBondContact O-CD1 3.37Å
107	R	95.3	Very high	95.5	Very high	135 Å²	135	77.2 Å²	77.2	51%	0.509	40%	0.402	S	S	.	.	H	α-helix	trans	-86.4	-44.5	-172.8	-178.2	-179.1	174.3	174.3	0.3	112.4	F104 I110 L111 E130	F104-R107 HydrophobicContact CB-CB 3.93Å; F104-R107 PolarHBondContact O-N 2.72Å; R107-I110 WeakPolarHBondContact O-CB 3.43Å; R107-I110 PolarHBondContact O-N 2.89Å; R107-I110 VanDerWaalsContact O-N 3.17Å; R107-L111 PolarHBondContact O-N 2.96Å; R107-E130 IonicContact CZ-OE1 2.65Å; R107-E130 IonicContact CZ-OE2 2.75Å; R107-E130 IonicContact NE-OE1 2.79Å; R107-E130 PolarHBondContact NE-OE1 3.41Å; R107-E130 IonicContact NH2-OE1 2.95Å; R107-E130 PolarHBondContact NH2-OE1 2.91Å; R107-E130 IonicContact NH2-OE2 3.82Å; R107-E130 PolarHBondContact NH2-OE2 3.42Å
108	T	96.6	Very high	95.1	Very high	5 Å²	5	74.9 Å²	74.9	3%	0.031	40%	0.397	C	S	.	.	H	α-helix	trans	-59.8	-42.8	-174.1	-58.6	0	0	0	0	112.6	W102 F104 I110 L111 I112 L131 D134	W102-T108 HydrophobicContact CB-CG2 4.32Å; W102-T108 HydrophobicContact CD2-CG2 3.62Å; W102-T108 HydrophobicContact CE3-CG2 3.44Å; W102-T108 VanDerWaalsContact CE3-CG2 3.44Å; W102-T108 HydrophobicContact CG-CG2 4.02Å; W102-T108 HydrophobicContact CH2-CG2 4.48Å; W102-T108 HydrophobicContact CZ3-CG2 3.88Å; F104-T108 WeakPolarHBondContact O-CB 3.4Å; F104-T108 PolarHBondContact O-N 3.25Å; F104-T108 PolarHBondContact O-OG1 2.92Å; T108-I110 PolarHBondContact O-N 2.84Å; T108-L111 WeakPolarHBondContact O-CB 3.45Å; T108-L111 PolarHBondContact O-N 2.74Å; T108-I112 HydrophobicContact CG2-CD1 4Å; T108-I112 HydrophobicContact CG2-CG1 4.41Å; T108-I112 WeakPolarHBondContact O-CG1 3.17Å; T108-I112 PolarHBondContact O-N 3.27Å; T108-L131 HydrophobicContact CG2-CD2 4.02Å; T108-D134 PolarHBondContact OG1-OD2 3.37Å
109	P	94.9	Very high	94.8	Very high	58 Å²	58	74.3 Å²	74.3	38%	0.377	41%	0.406	S	S	.	.	H	α-helix	trans	-61	-39.4	175.2	-26.1	36.9	0	0	0	113.9	P105 L111 I112 Q113	P105-P109 WeakPolarHBondContact O-CD 3.44Å; P105-P109 VanDerWaalsContact O-CG 3.25Å; P105-P109 WeakPolarHBondContact O-CG 3.19Å; P109-L111 VanDerWaalsContact C-N 3.32Å; P109-I112 PolarHBondContact O-N 3.47Å; P109-Q113 PolarHBondContact O-N 3.48Å
110	I	96.1	Very high	94.8	Very high	89 Å²	89	73.3 Å²	73.3	46%	0.456	40%	0.403	S	S	.	.	H	α-helix	trans	-64.7	-41.2	176.1	-60.6	171.4	0	0	0	110	E106 R107 T108 Q113 K114	E106-I110 WeakPolarHBondContact O-CD1 3.37Å; R107-I110 WeakPolarHBondContact O-CB 3.43Å; R107-I110 PolarHBondContact O-N 2.89Å; R107-I110 VanDerWaalsContact O-N 3.17Å; T108-I110 PolarHBondContact O-N 2.84Å; I110-Q113 WeakPolarHBondContact O-CB 3.47Å; I110-Q113 PolarHBondContact O-N 3.39Å; I110-K114 WeakPolarHBondContact O-CG 3.27Å; I110-K114 PolarHBondContact O-N 3.31Å
111	L	96.3	Very high	94.7	Very high	12 Å²	12	73 Å²	73	6%	0.063	40%	0.399	C	S	.	.	H	α-helix	trans	-63.4	-42.9	177.1	-171.1	65.9	0	0	0	112	R107 T108 P109 Q113 K114 F115 Y127 E130 L131	R107-L111 PolarHBondContact O-N 2.96Å; T108-L111 WeakPolarHBondContact O-CB 3.45Å; T108-L111 PolarHBondContact O-N 2.74Å; P109-L111 VanDerWaalsContact C-N 3.32Å; L111-Q113 VanDerWaalsContact C-N 3.32Å; L111-Q113 PolarHBondContact O-N 2.78Å; L111-K114 PolarHBondContact O-N 2.75Å; L111-F115 WeakPolarHBondContact O-CB 3.47Å; L111-F115 PolarHBondContact O-N 2.98Å; L111-Y127 HydrophobicContact CD1-CD1 3.35Å; L111-Y127 HydrophobicContact CD1-CE1 4.2Å; L111-Y127 HydrophobicContact CD1-CG 3.85Å; L111-E130 HydrophobicContact CD2-CB 3.86Å; L111-E130 HydrophobicContact CD2-CG 3.61Å; L111-E130 WeakPolarHBondContact CD2-OE1 3.48Å; L111-L131 HydrophobicContact CB-CD2 4.37Å; L111-L131 HydrophobicContact CD2-CB 4.49Å; L111-L131 HydrophobicContact CD2-CD2 3.63Å; L111-L131 HydrophobicContact CD2-CG 3.54Å; L111-L131 HydrophobicContact CG-CD1 4.43Å; L111-L131 HydrophobicContact CG-CD2 4.02Å; L111-L131 HydrophobicContact CG-CG 3.92Å
112	I	96.7	Very high	94.6	Very high	23 Å²	23	71.9 Å²	71.9	12%	0.118	40%	0.399	C	S	.	.	H	α-helix	trans	-61.3	-41.6	174.6	-68.2	168	0	0	0	110.7	I91 W102 T108 P109 F115 T116 L131	I91-I112 HydrophobicContact CD1-CG1 4.32Å; I91-I112 HydrophobicContact CG2-CD1 4.12Å; I91-I112 HydrophobicContact CG2-CG1 4.46Å; I91-I112 HydrophobicContact CG2-CG2 4.09Å; W102-I112 HydrophobicContact CH2-CD1 3.63Å; W102-I112 HydrophobicContact CZ2-CD1 3.61Å; W102-I112 HydrophobicContact CZ3-CD1 4.33Å; T108-I112 HydrophobicContact CG2-CD1 4Å; T108-I112 HydrophobicContact CG2-CG1 4.41Å; T108-I112 WeakPolarHBondContact O-CG1 3.17Å; T108-I112 PolarHBondContact O-N 3.27Å; P109-I112 PolarHBondContact O-N 3.47Å; I112-F115 PolarHBondContact O-N 3.17Å; I112-T116 WeakPolarHBondContact O-CB 3.34Å; I112-T116 PolarHBondContact O-N 2.91Å; I112-T116 PolarHBondContact O-OG1 3.4Å; I112-L131 HydrophobicContact CG1-CD2 3.74Å
113	Q	96.3	Very high	94.4	Very high	138 Å²	138	74.8 Å²	74.8	65%	0.645	41%	0.414	S	S	*	.	H	α-helix	trans	-61.3	-46	176.4	-172.2	-176.8	16.4	0	0	111.3	P109 I110 L111 T116 A117	P109-Q113 PolarHBondContact O-N 3.48Å; I110-Q113 WeakPolarHBondContact O-CB 3.47Å; I110-Q113 PolarHBondContact O-N 3.39Å; L111-Q113 VanDerWaalsContact C-N 3.32Å; L111-Q113 PolarHBondContact O-N 2.78Å; Q113-T116 PolarHBondContact O-N 3.49Å; Q113-A117 WeakPolarHBondContact O-CB 3.23Å; Q113-A117 PolarHBondContact O-N 3Å
114	K	95.8	Very high	94.3	Very high	109 Å²	109	70.6 Å²	70.6	47%	0.474	39%	0.394	S	S	.	.	H	α-helix	trans	-61.4	-45.6	176	-71.1	179.1	178.6	-179.4	0	112.2	I110 L111 T116 A117 A118 Y127	I110-K114 WeakPolarHBondContact O-CG 3.27Å; I110-K114 PolarHBondContact O-N 3.31Å; L111-K114 PolarHBondContact O-N 2.75Å; K114-T116 VanDerWaalsContact C-N 3.3Å; K114-T116 PolarHBondContact O-N 2.85Å; K114-A117 PolarHBondContact O-N 3.25Å; K114-A118 WeakPolarHBondContact O-CB 3.45Å; K114-A118 PolarHBondContact O-N 2.93Å; K114-Y127 HydrophobicContact CB-CD2 4.12Å; K114-Y127 HydrophobicContact CB-CE1 4.33Å; K114-Y127 HydrophobicContact CB-CE2 3.72Å; K114-Y127 HydrophobicContact CD-CE1 4.14Å
115	F	96.5	Very high	94.3	Very high	1 Å²	1	65.8 Å²	65.8	0%	0.004	37%	0.374	C	S	.	.	H	α-helix	trans	-59.7	-39.2	175.2	169.1	-107.2	0	0	0	112.6	L84 M87 R88 I91 L111 I112 C124 Y127 V128 L131	L84-F115 HydrophobicContact CD2-CE2 3.74Å; L84-F115 HydrophobicContact CD2-CZ 4.43Å; M87-F115 HydrophobicContact CB-CE1 4.48Å; M87-F115 HydrophobicContact CB-CE2 4.49Å; M87-F115 HydrophobicContact CB-CZ 3.91Å; M87-F115 HydrophobicContact CG-CE1 4Å; M87-F115 HydrophobicContact CG-CE2 4.24Å; M87-F115 HydrophobicContact CG-CZ 3.77Å; R88-F115 HydrophobicContact CG-CE1 3.62Å; R88-F115 HydrophobicContact CG-CZ 3.88Å; I91-F115 HydrophobicContact CD1-CD1 3.78Å; I91-F115 HydrophobicContact CD1-CE1 3.79Å; L111-F115 WeakPolarHBondContact O-CB 3.47Å; L111-F115 PolarHBondContact O-N 2.98Å; I112-F115 PolarHBondContact O-N 3.17Å; F115-C124 HydrophobicContact CD2-CB 3.96Å; F115-C124 HydrophobicContact CE2-CB 4.11Å; F115-Y127 HydrophobicContact CB-CD2 4.36Å; F115-V128 HydrophobicContact CD2-CG2 3.91Å; F115-V128 HydrophobicContact CE2-CG2 3.52Å; F115-V128 HydrophobicContact CZ-CG2 4.45Å; F115-L131 HydrophobicContact CB-CD1 4.17Å; F115-L131 HydrophobicContact CD1-CD1 4.47Å; F115-L131 HydrophobicContact CG-CD1 4.21Å
116	T	94.2	Very high	94.3	Very high	97 Å²	97	64.8 Å²	64.8	60%	0.595	37%	0.369	S	S	*	.	H	α-helix	trans	-73.5	-32.7	-179.7	-55.3	0	0	0	0	112	I112 Q113 K114	I112-T116 WeakPolarHBondContact O-CB 3.34Å; I112-T116 PolarHBondContact O-N 2.91Å; I112-T116 PolarHBondContact O-OG1 3.4Å; Q113-T116 PolarHBondContact O-N 3.49Å; K114-T116 VanDerWaalsContact C-N 3.3Å; K114-T116 PolarHBondContact O-N 2.85Å
117	A	93.4	Very high	94.4	Very high	84 Å²	84	59.4 Å²	59.4	69%	0.694	34%	0.342	S	S	*	.	H	α-helix	trans	-80.8	-24.6	179.5	0	0	0	0	0	114	Q113 K114	Q113-A117 WeakPolarHBondContact O-CB 3.23Å; Q113-A117 PolarHBondContact O-N 3Å; K114-A117 PolarHBondContact O-N 3.25Å
118	A	88.5	Confident	94.5	Very high	19 Å²	19	53 Å²	53	16%	0.157	32%	0.317	C	S	.	.			trans	-69.1	140.8	179.3	0	0	0	0	0	112.1	K114 E123 C124	K114-A118 WeakPolarHBondContact O-CB 3.45Å; K114-A118 PolarHBondContact O-N 2.93Å; A118-E123 HydrophobicContact CB-CB 3.74Å; A118-C124 WeakPolarHBondContact CB-SG 3.16Å
119	A	87.5	Confident	94.6	Very high	90 Å²	90	53.4 Å²	53.4	74%	0.744	32%	0.321	S	S	*	.			trans	-97.8	-30.4	-171.9	0	0	0	0	0	112.5	E123	A119-E123 PolarHBondContact N-OE2 3.38Å
120	T	92.5	Very high	94.6	Very high	66 Å²	66	53.9 Å²	53.9	41%	0.405	32%	0.318	S	S	.	.	S	Bend	trans	-114.3	158.4	-173.4	69.2	0	0	0	0	112.3	A122 E123 C124	T120-A122 VanDerWaalsContact C-N 3.28Å; T120-A122 PolarHBondContact O-N 3.44Å; T120-E123 PolarHBondContact N-OE2 2.88Å; T120-E123 PolarHBondContact O-N 2.91Å; T120-E123 VanDerWaalsContact OG1-CD 3.27Å; T120-E123 VanDerWaalsContact OG1-CG 3.27Å; T120-E123 WeakPolarHBondContact OG1-CG 3.32Å; T120-E123 PolarHBondContact OG1-N 3.06Å; T120-E123 PolarHBondContact OG1-OE2 3.14Å; T120-C124 PolarHBondContact O-N 3.24Å; T120-C124 VanDerWaalsContact O-N 3.16Å; T120-C124 PolarHBondContact O-SG 3.33Å; T120-C124 VanDerWaalsContact O-SG 3.32Å
121	F	94.5	Very high	94.7	Very high	16 Å²	16	49.7 Å²	49.7	7%	0.07	30%	0.297	C	S	.	.	H	α-helix	trans	-60.5	-38.9	173.2	-179.2	-95.5	0	0	0	112.3	Y80 I83 L84 E123 C124 A125 I160 I163	Y80-F121 HydrophobicContact CD1-CB 4.47Å; Y80-F121 AromaticContact CD1-CD1 3.46Å; Y80-F121 HydrophobicContact CD1-CD1 3.46Å; Y80-F121 VanDerWaalsContact CD1-CD1 3.46Å; Y80-F121 AromaticContact CD1-CD2 3.77Å; Y80-F121 HydrophobicContact CD1-CD2 3.77Å; Y80-F121 AromaticContact CD1-CE1 3.47Å; Y80-F121 HydrophobicContact CD1-CE1 3.47Å; Y80-F121 VanDerWaalsContact CD1-CE1 3.47Å; Y80-F121 AromaticContact CD1-CE2 3.78Å; Y80-F121 HydrophobicContact CD1-CE2 3.78Å; Y80-F121 AromaticContact CD1-CG 3.62Å; Y80-F121 HydrophobicContact CD1-CG 3.62Å; Y80-F121 AromaticContact CD1-CZ 3.64Å; Y80-F121 HydrophobicContact CD1-CZ 3.64Å; Y80-F121 HydrophobicContact CD2-CB 3.72Å; Y80-F121 AromaticContact CD2-CD1 3.76Å; Y80-F121 HydrophobicContact CD2-CD1 3.76Å; Y80-F121 HydrophobicContact CD2-CD2 4.5Å; Y80-F121 AromaticContact CD2-CG 3.73Å; Y80-F121 HydrophobicContact CD2-CG 3.73Å; Y80-F121 AromaticContact CE1-CD1 3.41Å; Y80-F121 HydrophobicContact CE1-CD1 3.41Å; Y80-F121 VanDerWaalsContact CE1-CD1 3.41Å; Y80-F121 AromaticContact CE1-CE1 3.22Å; Y80-F121 HydrophobicContact CE1-CE1 3.22Å; Y80-F121 HydrophobicContact CE1-CE2 4.36Å; Y80-F121 HydrophobicContact CE1-CG 4.07Å; Y80-F121 AromaticContact CE1-CZ 3.76Å; Y80-F121 HydrophobicContact CE1-CZ 3.76Å; Y80-F121 HydrophobicContact CE2-CB 4.33Å; Y80-F121 AromaticContact CE2-CD1 3.71Å; Y80-F121 HydrophobicContact CE2-CD1 3.71Å; Y80-F121 HydrophobicContact CE2-CE1 4.36Å; Y80-F121 HydrophobicContact CE2-CG 4.17Å; Y80-F121 HydrophobicContact CG-CB 3.78Å; Y80-F121 AromaticContact CG-CD1 3.62Å; Y80-F121 HydrophobicContact CG-CD1 3.62Å; Y80-F121 AromaticContact CG-CD2 3.74Å; Y80-F121 HydrophobicContact CG-CD2 3.74Å; Y80-F121 HydrophobicContact CG-CE1 4.13Å; Y80-F121 HydrophobicContact CG-CE2 4.24Å; Y80-F121 AromaticContact CG-CG 3.4Å; Y80-F121 HydrophobicContact CG-CG 3.4Å; Y80-F121 VanDerWaalsContact CG-CG 3.4Å; Y80-F121 HydrophobicContact CG-CZ 4.42Å; Y80-F121 AromaticContact CZ-CD1 3.51Å; Y80-F121 AromaticContact CZ-CE1 3.69Å; I83-F121 HydrophobicContact CB-CE2 4.07Å; I83-F121 HydrophobicContact CD1-CE2 3.86Å; I83-F121 HydrophobicContact CD1-CZ 4.08Å; I83-F121 HydrophobicContact CG2-CE2 3.94Å; L84-F121 HydrophobicContact CD1-CB 4.47Å; L84-F121 HydrophobicContact CD1-CD2 4.45Å; L84-F121 HydrophobicContact CD2-CD2 4.04Å; L84-F121 HydrophobicContact CG-CD2 4.09Å; F121-E123 VanDerWaalsContact C-N 3.29Å; F121-E123 PolarHBondContact O-N 2.84Å; F121-C124 PolarHBondContact O-N 2.87Å; F121-C124 VanDerWaalsContact O-N 3.11Å; F121-A125 HydrophobicContact CD1-CB 4.26Å; F121-A125 HydrophobicContact CE1-CB 3.83Å; F121-A125 HydrophobicContact CZ-CB 4Å; F121-A125 WeakPolarHBondContact O-CB 3.16Å; F121-A125 PolarHBondContact O-N 2.69Å; F121-I160 HydrophobicContact CE2-CD1 4.28Å; F121-I160 HydrophobicContact CZ-CD1 3.84Å; F121-I163 HydrophobicContact CE1-CG2 4.24Å; F121-I163 HydrophobicContact CZ-CG2 3.84Å
122	A	93.1	Very high	94.8	Very high	81 Å²	81	49.7 Å²	49.7	67%	0.669	30%	0.296	S	S	*	.	H	α-helix	trans	-60.9	-37.4	-179.3	0	0	0	0	0	112.5	T120	T120-A122 VanDerWaalsContact C-N 3.28Å; T120-A122 PolarHBondContact O-N 3.44Å
123	E	92.6	Very high	94.8	Very high	97 Å²	97	53.2 Å²	53.2	45%	0.453	31%	0.312	S	S	.	.	H	α-helix	trans	-72.3	-37	174.5	-67.6	162.8	155.7	0	0	112	A118 A119 T120 F121 Y127	A118-E123 HydrophobicContact CB-CB 3.74Å; A119-E123 PolarHBondContact N-OE2 3.38Å; T120-E123 PolarHBondContact N-OE2 2.88Å; T120-E123 PolarHBondContact O-N 2.91Å; T120-E123 VanDerWaalsContact OG1-CD 3.27Å; T120-E123 VanDerWaalsContact OG1-CG 3.27Å; T120-E123 WeakPolarHBondContact OG1-CG 3.32Å; T120-E123 PolarHBondContact OG1-N 3.06Å; T120-E123 PolarHBondContact OG1-OE2 3.14Å; F121-E123 VanDerWaalsContact C-N 3.29Å; F121-E123 PolarHBondContact O-N 2.84Å; E123-Y127 WeakPolarHBondContact O-CD2 3.45Å; E123-Y127 VanDerWaalsContact O-CE2 3.26Å; E123-Y127 WeakPolarHBondContact O-CE2 3.21Å
124	C	95	Very high	94.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-80.7	-26.9	-176.2	-71	0	0	0	0	114.5	L84 F115 A118 T120 F121 S126 Y127 V128	L84-C124 HydrophobicContact CD2-CB 3.46Å; L84-C124 VanDerWaalsContact CD2-CB 3.46Å; F115-C124 HydrophobicContact CD2-CB 3.96Å; F115-C124 HydrophobicContact CE2-CB 4.11Å; A118-C124 WeakPolarHBondContact CB-SG 3.16Å; T120-C124 PolarHBondContact O-N 3.24Å; T120-C124 VanDerWaalsContact O-N 3.16Å; T120-C124 PolarHBondContact O-SG 3.33Å; T120-C124 VanDerWaalsContact O-SG 3.32Å; F121-C124 PolarHBondContact O-N 2.87Å; F121-C124 VanDerWaalsContact O-N 3.11Å; C124-S126 VanDerWaalsContact C-N 3.34Å; C124-S126 PolarHBondContact O-N 2.8Å; C124-Y127 WeakPolarHBondContact O-CA 3.44Å; C124-Y127 WeakPolarHBondContact O-CB 3.07Å; C124-Y127 PolarHBondContact O-N 3.06Å; C124-V128 HydrophobicContact CB-CG2 4.48Å; C124-V128 WeakPolarHBondContact O-CG2 3.38Å; C124-V128 PolarHBondContact O-N 3.48Å
125	A	94.8	Very high	94.9	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.033	28%	0.281	C	S	.	.	H	α-helix	trans	-61.3	-40.3	-161.7	0	0	0	0	0	113.4	F121 V128 A129 Q164	F121-A125 HydrophobicContact CD1-CB 4.26Å; F121-A125 HydrophobicContact CE1-CB 3.83Å; F121-A125 HydrophobicContact CZ-CB 4Å; F121-A125 WeakPolarHBondContact O-CB 3.16Å; F121-A125 PolarHBondContact O-N 2.69Å; A125-V128 PolarHBondContact O-N 3.4Å; A125-A129 PolarHBondContact O-N 2.73Å; A125-Q164 HydrophobicContact CB-CB 3.58Å
126	S	95.7	Very high	95	Very high	61 Å²	61	44.7 Å²	44.7	43%	0.427	28%	0.281	S	S	.	.	H	α-helix	trans	-65.8	-38.4	175.9	58.6	0	0	0	0	112.1	C124 A129 E130	C124-S126 VanDerWaalsContact C-N 3.34Å; C124-S126 PolarHBondContact O-N 2.8Å; S126-A129 PolarHBondContact O-N 3.08Å; S126-E130 PolarHBondContact O-N 3.21Å
127	Y	96.8	Very high	95.1	Very high	63 Å²	63	40 Å²	40	25%	0.247	25%	0.253	C	S	.	.	H	α-helix	trans	-66.9	-41.3	175.3	-50.9	-36.8	0	0	0	111.6	L111 K114 F115 E123 C124 A129 E130 L131	L111-Y127 HydrophobicContact CD1-CD1 3.35Å; L111-Y127 HydrophobicContact CD1-CE1 4.2Å; L111-Y127 HydrophobicContact CD1-CG 3.85Å; K114-Y127 HydrophobicContact CB-CD2 4.12Å; K114-Y127 HydrophobicContact CB-CE1 4.33Å; K114-Y127 HydrophobicContact CB-CE2 3.72Å; K114-Y127 HydrophobicContact CD-CE1 4.14Å; F115-Y127 HydrophobicContact CB-CD2 4.36Å; E123-Y127 WeakPolarHBondContact O-CD2 3.45Å; E123-Y127 VanDerWaalsContact O-CE2 3.26Å; E123-Y127 WeakPolarHBondContact O-CE2 3.21Å; C124-Y127 WeakPolarHBondContact O-CA 3.44Å; C124-Y127 WeakPolarHBondContact O-CB 3.07Å; C124-Y127 PolarHBondContact O-N 3.06Å; Y127-A129 VanDerWaalsContact C-N 3.31Å; Y127-A129 PolarHBondContact O-N 2.56Å; Y127-E130 PolarHBondContact O-N 3.24Å; Y127-L131 VanDerWaalsContact O-CB 3.27Å; Y127-L131 WeakPolarHBondContact O-CB 3.5Å; Y127-L131 WeakPolarHBondContact O-CD1 3.29Å; Y127-L131 WeakPolarHBondContact O-CG 3.47Å; Y127-L131 PolarHBondContact O-N 3.17Å
128	V	97.6	Very high	95.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.2	-44	174.7	173.6	0	0	0	0	110.6	I83 L84 M87 F115 C124 A125 L131 W132 L157 I160	I83-V128 HydrophobicContact CG2-CG1 3.87Å; L84-V128 HydrophobicContact CD2-CG2 4.16Å; M87-V128 HydrophobicContact CB-CG2 4.47Å; M87-V128 HydrophobicContact CE-CG1 3.86Å; M87-V128 HydrophobicContact CG-CG2 4.31Å; F115-V128 HydrophobicContact CD2-CG2 3.91Å; F115-V128 HydrophobicContact CE2-CG2 3.52Å; F115-V128 HydrophobicContact CZ-CG2 4.45Å; C124-V128 HydrophobicContact CB-CG2 4.48Å; C124-V128 WeakPolarHBondContact O-CG2 3.38Å; C124-V128 PolarHBondContact O-N 3.48Å; A125-V128 PolarHBondContact O-N 3.4Å; V128-L131 PolarHBondContact O-N 3.04Å; V128-W132 WeakPolarHBondContact O-CB 3.36Å; V128-W132 PolarHBondContact O-N 3.43Å; V128-L157 HydrophobicContact CG1-CD2 3.59Å; V128-I160 HydrophobicContact CB-CD1 4.48Å; V128-I160 HydrophobicContact CB-CG1 4.41Å; V128-I160 HydrophobicContact CG1-CD1 4.08Å; V128-I160 HydrophobicContact CG1-CG1 4.07Å
129	A	97.2	Very high	95.7	Very high	14 Å²	14	43.5 Å²	43.5	12%	0.116	25%	0.25	C	S	.	.	H	α-helix	trans	-61.9	-43.3	178.8	0	0	0	0	0	112.3	A125 S126 Y127 I160	A125-A129 PolarHBondContact O-N 2.73Å; S126-A129 PolarHBondContact O-N 3.08Å; Y127-A129 VanDerWaalsContact C-N 3.31Å; Y127-A129 PolarHBondContact O-N 2.56Å; A129-I160 HydrophobicContact CB-CG1 4.1Å; A129-I160 HydrophobicContact CB-CG2 3.6Å
130	E	96.6	Very high	96.2	Very high	67 Å²	67	39.4 Å²	39.4	31%	0.313	22%	0.216	S	C	.	.	H	α-helix	trans	-71.3	-43	178.3	-176.5	179.6	144	0	0	112.3	R107 L111 S126 Y127 W132 E133	R107-E130 IonicContact CZ-OE1 2.65Å; R107-E130 IonicContact CZ-OE2 2.75Å; R107-E130 IonicContact NE-OE1 2.79Å; R107-E130 PolarHBondContact NE-OE1 3.41Å; R107-E130 IonicContact NH2-OE1 2.95Å; R107-E130 PolarHBondContact NH2-OE1 2.91Å; R107-E130 IonicContact NH2-OE2 3.82Å; R107-E130 PolarHBondContact NH2-OE2 3.42Å; L111-E130 HydrophobicContact CD2-CB 3.86Å; L111-E130 HydrophobicContact CD2-CG 3.61Å; L111-E130 WeakPolarHBondContact CD2-OE1 3.48Å; S126-E130 PolarHBondContact O-N 3.21Å; Y127-E130 PolarHBondContact O-N 3.24Å; E130-W132 VanDerWaalsContact C-N 3.32Å; E130-W132 PolarHBondContact O-N 3.46Å; E130-E133 PolarHBondContact O-N 3.48Å
131	L	97.8	Very high	96.4	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-42.2	176.2	-75.2	166.7	0	0	0	111.6	M87 I91 T108 L111 I112 F115 Y127 V128 E133 D134 L137	M87-L131 HydrophobicContact CE-CB 3.94Å; M87-L131 HydrophobicContact CG-CD1 4.37Å; M87-L131 HydrophobicContact SD-CB 4.03Å; M87-L131 HydrophobicContact SD-CD1 4.32Å; I91-L131 HydrophobicContact CD1-CD1 4.08Å; T108-L131 HydrophobicContact CG2-CD2 4.02Å; L111-L131 HydrophobicContact CB-CD2 4.37Å; L111-L131 HydrophobicContact CD2-CB 4.49Å; L111-L131 HydrophobicContact CD2-CD2 3.63Å; L111-L131 HydrophobicContact CD2-CG 3.54Å; L111-L131 HydrophobicContact CG-CD1 4.43Å; L111-L131 HydrophobicContact CG-CD2 4.02Å; L111-L131 HydrophobicContact CG-CG 3.92Å; I112-L131 HydrophobicContact CG1-CD2 3.74Å; F115-L131 HydrophobicContact CB-CD1 4.17Å; F115-L131 HydrophobicContact CD1-CD1 4.47Å; F115-L131 HydrophobicContact CG-CD1 4.21Å; Y127-L131 VanDerWaalsContact O-CB 3.27Å; Y127-L131 WeakPolarHBondContact O-CB 3.5Å; Y127-L131 WeakPolarHBondContact O-CD1 3.29Å; Y127-L131 WeakPolarHBondContact O-CG 3.47Å; Y127-L131 PolarHBondContact O-N 3.17Å; V128-L131 PolarHBondContact O-N 3.04Å; L131-E133 PolarHBondContact O-N 2.93Å; L131-D134 VanDerWaalsContact O-CB 3.27Å; L131-D134 WeakPolarHBondContact O-CB 3.39Å; L131-D134 PolarHBondContact O-N 3.41Å; L131-D134 VanDerWaalsContact O-N 3.08Å; L131-L137 HydrophobicContact CB-CD1 3.84Å; L131-L137 HydrophobicContact CD2-CD1 4.35Å; L131-L137 WeakPolarHBondContact O-CD1 3.24Å
132	W	97.7	Very high	96.5	Very high	13 Å²	13	40.6 Å²	40.6	5%	0.049	22%	0.217	C	C	.	.	H	α-helix	trans	-63.5	-24.3	-179.5	-178.4	-130	0	0	0	113.3	M87 L90 V128 E130 D134 K138 F141 K154 L157 D158	M87-W132 HydrophobicContact CE-CB 4.09Å; L90-W132 HydrophobicContact CD2-CE3 4.02Å; L90-W132 HydrophobicContact CD2-CZ3 3.76Å; V128-W132 WeakPolarHBondContact O-CB 3.36Å; V128-W132 PolarHBondContact O-N 3.43Å; E130-W132 VanDerWaalsContact C-N 3.32Å; E130-W132 PolarHBondContact O-N 3.46Å; W132-D134 VanDerWaalsContact C-N 3.31Å; W132-K138 HydrophobicContact CH2-CG 4.44Å; W132-K138 HydrophobicContact CZ3-CG 4.34Å; W132-K138 WeakPolarHBondContact O-CE 3.19Å; W132-F141 HydrophobicContact CH2-CB 4.06Å; W132-F141 HydrophobicContact CH2-CD1 4.23Å; W132-F141 HydrophobicContact CH2-CD2 4.05Å; W132-F141 AromaticContact CH2-CG 3.83Å; W132-F141 HydrophobicContact CH2-CG 3.83Å; W132-F141 HydrophobicContact CZ3-CB 4.06Å; W132-F141 HydrophobicContact CZ3-CD2 4.39Å; W132-F141 HydrophobicContact CZ3-CG 4.24Å; W132-K154 HydrophobicContact CZ2-CG 4.28Å; W132-L157 HydrophobicContact CB-CB 4.42Å; W132-L157 HydrophobicContact CD2-CB 3.73Å; W132-L157 HydrophobicContact CD2-CD1 3.73Å; W132-L157 HydrophobicContact CD2-CG 4.33Å; W132-L157 HydrophobicContact CE3-CB 4.46Å; W132-L157 HydrophobicContact CE3-CD1 3.58Å; W132-L157 HydrophobicContact CG-CB 3.68Å; W132-L157 HydrophobicContact CG-CD1 4.25Å; W132-L157 HydrophobicContact CG-CG 4.44Å; W132-L157 HydrophobicContact CH2-CD1 4.47Å; W132-L157 HydrophobicContact CZ2-CB 4.43Å; W132-L157 HydrophobicContact CZ3-CD1 3.99Å; W132-D158 PolarHBondContact NE1-OD1 3.32Å
133	E	97.2	Very high	96.5	Very high	97 Å²	97	40.5 Å²	40.5	45%	0.453	20%	0.199	S	C	.	.	H	α-helix	trans	-75.1	-20.4	176.7	-64.9	-61.3	171.6	0	0	113.6	E130 L131 S135 K138	E130-E133 PolarHBondContact O-N 3.48Å; L131-E133 PolarHBondContact O-N 2.93Å; E133-S135 PolarHBondContact O-N 3.08Å; E133-K138 PolarHBondContact O-NZ 3.48Å; E133-K138 IonicContact OE2-NZ 2.67Å; E133-K138 PolarHBondContact OE2-NZ 2.88Å
134	D	97.4	Very high	96.7	Very high	4 Å²	4	38 Å²	38	2%	0.021	19%	0.185	C	C	.	.			trans	-61.3	119	-179.8	-167.6	-59.8	0	0	0	111	E103 T108 L131 W132 A136 L137 K138	E103-D134 PolarHBondContact N-OD1 3.32Å; E103-D134 PolarHBondContact N-OD2 3.3Å; T108-D134 PolarHBondContact OG1-OD2 3.37Å; L131-D134 VanDerWaalsContact O-CB 3.27Å; L131-D134 WeakPolarHBondContact O-CB 3.39Å; L131-D134 PolarHBondContact O-N 3.41Å; L131-D134 VanDerWaalsContact O-N 3.08Å; W132-D134 VanDerWaalsContact C-N 3.31Å; D134-A136 PolarHBondContact O-N 3.2Å; D134-A136 VanDerWaalsContact O-N 3.14Å; D134-A136 WeakPolarHBondContact OD1-CB 3.46Å; D134-A136 PolarHBondContact OD1-N 3.11Å; D134-L137 HydrophobicContact CB-CG 4.49Å; D134-L137 PolarHBondContact O-N 3.16Å; D134-K138 PolarHBondContact O-N 2.83Å; D134-K138 VanDerWaalsContact O-N 3.12Å
135	S	97.2	Very high	96.6	Very high	63 Å²	63	39.1 Å²	39.1	44%	0.441	19%	0.194	S	C	.	.	H	α-helix	trans	-55.6	-29.7	-179.4	49.7	0	0	0	0	113.5	E103 E133 K138 Q139	E103-S135 VanDerWaalsContact OE2-CB 3.29Å; E103-S135 WeakPolarHBondContact OE2-CB 3.35Å; E103-S135 PolarHBondContact OE2-N 3.38Å; E103-S135 PolarHBondContact OE2-OG 3.29Å; E133-S135 PolarHBondContact O-N 3.08Å; S135-K138 PolarHBondContact O-N 3.07Å; S135-Q139 WeakPolarHBondContact O-CB 3.49Å; S135-Q139 PolarHBondContact O-N 3.4Å
136	A	97.2	Very high	96.6	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-71.4	-35.2	178.5	0	0	0	0	0	111.9	K94 P101 W102 D134 T140	K94-A136 HydrophobicContact CD-CB 4.15Å; P101-A136 WeakPolarHBondContact O-CB 3.11Å; W102-A136 HydrophobicContact CE3-CB 4.14Å; D134-A136 PolarHBondContact O-N 3.2Å; D134-A136 VanDerWaalsContact O-N 3.14Å; D134-A136 WeakPolarHBondContact OD1-CB 3.46Å; D134-A136 PolarHBondContact OD1-N 3.11Å; A136-T140 PolarHBondContact O-N 2.88Å; A136-T140 PolarHBondContact O-OG1 2.85Å
137	L	97.6	Very high	96.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-70.1	-40.9	171.8	-71.9	-179.5	0	0	0	111.5	M87 L90 I91 K94 W102 L131 D134 Q139 T140 F141	M87-L137 HydrophobicContact SD-CD1 4.09Å; L90-L137 HydrophobicContact CD2-CB 4.13Å; L90-L137 HydrophobicContact CD2-CD2 4.39Å; L90-L137 HydrophobicContact CG-CD2 4.1Å; I91-L137 HydrophobicContact CG1-CD2 4.4Å; K94-L137 HydrophobicContact CB-CD2 3.8Å; K94-L137 HydrophobicContact CG-CD2 4.05Å; W102-L137 HydrophobicContact CH2-CD2 4.15Å; W102-L137 HydrophobicContact CZ3-CD2 3.8Å; W102-L137 HydrophobicContact CZ3-CG 3.91Å; L131-L137 HydrophobicContact CB-CD1 3.84Å; L131-L137 HydrophobicContact CD2-CD1 4.35Å; L131-L137 WeakPolarHBondContact O-CD1 3.24Å; D134-L137 HydrophobicContact CB-CG 4.49Å; D134-L137 PolarHBondContact O-N 3.16Å; L137-Q139 VanDerWaalsContact C-N 3.34Å; L137-Q139 PolarHBondContact O-N 2.96Å; L137-T140 PolarHBondContact O-N 3.14Å; L137-F141 WeakPolarHBondContact O-CB 3.47Å; L137-F141 PolarHBondContact O-N 3.4Å
138	K	97.3	Very high	96.5	Very high	79 Å²	79	39.9 Å²	39.9	34%	0.343	19%	0.194	S	C	.	.	H	α-helix	trans	-60.5	-42.9	174.5	-70.6	176.1	177.1	155.7	0	111.5	W132 E133 D134 S135 T140 F141 E142	W132-K138 HydrophobicContact CH2-CG 4.44Å; W132-K138 HydrophobicContact CZ3-CG 4.34Å; W132-K138 WeakPolarHBondContact O-CE 3.19Å; E133-K138 PolarHBondContact O-NZ 3.48Å; E133-K138 IonicContact OE2-NZ 2.67Å; E133-K138 PolarHBondContact OE2-NZ 2.88Å; D134-K138 PolarHBondContact O-N 2.83Å; D134-K138 VanDerWaalsContact O-N 3.12Å; S135-K138 PolarHBondContact O-N 3.07Å; K138-T140 PolarHBondContact O-N 3.17Å; K138-F141 WeakPolarHBondContact O-CB 3.39Å; K138-F141 PolarHBondContact O-N 3.04Å; K138-E142 PolarHBondContact O-N 3.13Å
139	Q	97	Very high	96.4	Very high	97 Å²	97	40.5 Å²	40.5	45%	0.453	20%	0.197	S	C	.	.	H	α-helix	trans	-63.5	-41.7	174.7	-171.7	-178.6	19	0	0	112.2	S100 S135 L137 F141 E142	S100-Q139 PolarHBondContact OG-OE1 3.24Å; S135-Q139 WeakPolarHBondContact O-CB 3.49Å; S135-Q139 PolarHBondContact O-N 3.4Å; L137-Q139 VanDerWaalsContact C-N 3.34Å; L137-Q139 PolarHBondContact O-N 2.96Å; Q139-F141 VanDerWaalsContact C-N 3.29Å; Q139-F141 PolarHBondContact O-N 2.84Å; Q139-E142 PolarHBondContact O-N 2.8Å
140	T	97.8	Very high	96.3	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-35.4	176	-58.9	0	0	0	0	111.8	L90 A93 K94 A136 L137 K138 E142 R143 F147	L90-T140 HydrophobicContact CD1-CG2 4.05Å; A93-T140 HydrophobicContact CB-CG2 3.83Å; K94-T140 HydrophobicContact CB-CG2 4.01Å; K94-T140 WeakPolarHBondContact CD-OG1 3.16Å; A136-T140 PolarHBondContact O-N 2.88Å; A136-T140 PolarHBondContact O-OG1 2.85Å; L137-T140 PolarHBondContact O-N 3.14Å; K138-T140 PolarHBondContact O-N 3.17Å; T140-E142 PolarHBondContact O-N 2.88Å; T140-R143 WeakPolarHBondContact O-CA 3.46Å; T140-R143 WeakPolarHBondContact O-CB 3.5Å; T140-R143 PolarHBondContact O-N 2.89Å; T140-F147 HydrophobicContact CG2-CE1 4.27Å; T140-F147 HydrophobicContact CG2-CZ 4.28Å
141	F	97.2	Very high	96.2	Very high	10 Å²	10	40.6 Å²	40.6	4%	0.044	20%	0.199	C	C	.	.	H	α-helix	trans	-61.1	-30.4	176.7	173.8	-90.5	0	0	0	112.6	L90 W132 L137 K138 Q139 R143 R144 L149 K154	L90-F141 HydrophobicContact CD1-CB 4.02Å; W132-F141 HydrophobicContact CH2-CB 4.06Å; W132-F141 HydrophobicContact CH2-CD1 4.23Å; W132-F141 HydrophobicContact CH2-CD2 4.05Å; W132-F141 AromaticContact CH2-CG 3.83Å; W132-F141 HydrophobicContact CH2-CG 3.83Å; W132-F141 HydrophobicContact CZ3-CB 4.06Å; W132-F141 HydrophobicContact CZ3-CD2 4.39Å; W132-F141 HydrophobicContact CZ3-CG 4.24Å; L137-F141 WeakPolarHBondContact O-CB 3.47Å; L137-F141 PolarHBondContact O-N 3.4Å; K138-F141 WeakPolarHBondContact O-CB 3.39Å; K138-F141 PolarHBondContact O-N 3.04Å; Q139-F141 VanDerWaalsContact C-N 3.29Å; Q139-F141 PolarHBondContact O-N 2.84Å; F141-R143 PolarHBondContact O-N 3.49Å; F141-R143 VanDerWaalsContact O-N 3.14Å; F141-R144 WeakPolarHBondContact O-CB 3.44Å; F141-R144 WeakPolarHBondContact O-CD 3.49Å; F141-R144 VanDerWaalsContact O-CG 3.26Å; F141-R144 WeakPolarHBondContact O-CG 3.12Å; F141-R144 PolarHBondContact O-N 3.43Å; F141-R144 VanDerWaalsContact O-N 3.07Å; F141-R144 PolarHBondContact O-NH1 2.87Å; F141-L149 HydrophobicContact CD2-CD2 3.56Å; F141-L149 HydrophobicContact CE2-CD2 3.65Å; F141-K154 HydrophobicContact CE1-CB 4.42Å; F141-K154 HydrophobicContact CE1-CD 3.84Å; F141-K154 HydrophobicContact CE1-CG 4.31Å; F141-K154 HydrophobicContact CE2-CB 3.87Å; F141-K154 HydrophobicContact CE2-CG 4.5Å; F141-K154 HydrophobicContact CZ-CB 3.57Å; F141-K154 HydrophobicContact CZ-CD 3.78Å; F141-K154 HydrophobicContact CZ-CG 3.94Å
142	E	95.2	Very high	96.2	Very high	97 Å²	97	41.1 Å²	41.1	45%	0.453	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-15	173.5	-61.8	-49.6	139.2	0	0	113.3	K138 Q139 T140 R144 Q281	K138-E142 PolarHBondContact O-N 3.13Å; Q139-E142 PolarHBondContact O-N 2.8Å; T140-E142 PolarHBondContact O-N 2.88Å; E142-R144 IonicContact OE2-NH1 2.65Å; E142-R144 PolarHBondContact OE2-NH1 3.41Å; E142-Q281 PolarHBondContact OE2-NE2 2.85Å
143	R	94.7	Very high	96.2	Very high	80 Å²	80	40.9 Å²	40.9	30%	0.302	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	13.6	173.9	-53.2	-174.5	62.9	116.9	14.5	114.1	D99 T140 F141 S145 D146 F147	D99-R143 IonicContact OD1-NH1 2.84Å; D99-R143 VanDerWaalsContact OD2-CD 3.28Å; D99-R143 WeakPolarHBondContact OD2-CD 3.42Å; D99-R143 IonicContact OD2-CZ 3.98Å; D99-R143 IonicContact OD2-NE 2.89Å; D99-R143 IonicContact OD2-NH1 3.53Å; D99-R143 PolarHBondContact OD2-NH1 3.02Å; T140-R143 WeakPolarHBondContact O-CA 3.46Å; T140-R143 WeakPolarHBondContact O-CB 3.5Å; T140-R143 PolarHBondContact O-N 2.89Å; F141-R143 PolarHBondContact O-N 3.49Å; F141-R143 VanDerWaalsContact O-N 3.14Å; R143-S145 PolarHBondContact O-N 2.92Å; R143-D146 IonicContact CZ-OD2 2.61Å; R143-D146 IonicContact NE-OD2 3.12Å; R143-D146 PolarHBondContact NE-OD2 3.46Å; R143-D146 VanDerWaalsContact NE-OD2 3.15Å; R143-D146 IonicContact NH2-OD2 2.83Å; R143-D146 PolarHBondContact NH2-OD2 3.2Å; R143-D146 WeakPolarHBondContact O-CB 3.09Å; R143-D146 PolarHBondContact O-N 3Å; R143-F147 HydrophobicContact CB-CE1 4.1Å; R143-F147 WeakPolarHBondContact O-CD1 3.48Å; R143-F147 VanDerWaalsContact O-CE1 3.26Å; R143-F147 WeakPolarHBondContact O-CE1 3.44Å
144	R	95.4	Very high	96.2	Very high	43 Å²	43	40.2 Å²	40.2	16%	0.162	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-10.4	-174.8	64.8	-166.9	178.4	-75.3	-4.4	115.8	F141 E142 D146 F147 L149	F141-R144 WeakPolarHBondContact O-CB 3.44Å; F141-R144 WeakPolarHBondContact O-CD 3.49Å; F141-R144 VanDerWaalsContact O-CG 3.26Å; F141-R144 WeakPolarHBondContact O-CG 3.12Å; F141-R144 PolarHBondContact O-N 3.43Å; F141-R144 VanDerWaalsContact O-N 3.07Å; F141-R144 PolarHBondContact O-NH1 2.87Å; E142-R144 IonicContact OE2-NH1 2.65Å; E142-R144 PolarHBondContact OE2-NH1 3.41Å; R144-D146 VanDerWaalsContact C-N 3.33Å; R144-F147 HydrophobicContact CB-CZ 4.28Å; R144-L149 HydrophobicContact CB-CB 4.3Å; R144-L149 HydrophobicContact CB-CD2 3.97Å
145	S	93.9	Very high	96.2	Very high	25 Å²	25	42 Å²	42	18%	0.175	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-31.3	167.1	48.9	0	0	0	0	112.7	R143 F147	R143-S145 PolarHBondContact O-N 2.92Å; S145-F147 VanDerWaalsContact C-N 3.33Å; S145-F147 PolarHBondContact O-N 2.86Å
146	D	94.3	Very high	96.3	Very high	72 Å²	72	39 Å²	39	39%	0.385	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-13.8	-169.8	-54	-9.3	0	0	0	112.5	Y97 R143 R144	Y97-D146 HydrophobicContact CE1-CB 4.47Å; Y97-D146 WeakPolarHBondContact OH-CB 3.18Å; Y97-D146 PolarHBondContact OH-O 2.87Å; R143-D146 IonicContact CZ-OD2 2.61Å; R143-D146 IonicContact NE-OD2 3.12Å; R143-D146 PolarHBondContact NE-OD2 3.46Å; R143-D146 VanDerWaalsContact NE-OD2 3.15Å; R143-D146 IonicContact NH2-OD2 2.83Å; R143-D146 PolarHBondContact NH2-OD2 3.2Å; R143-D146 WeakPolarHBondContact O-CB 3.09Å; R143-D146 PolarHBondContact O-N 3Å; R144-D146 VanDerWaalsContact C-N 3.33Å
147	F	95.6	Very high	96.3	Very high	23 Å²	23	39.1 Å²	39.1	10%	0.101	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.6	169.6	-178.5	60.7	-89.3	0	0	0	111.9	T89 L90 A93 Y97 T140 R143 R144 S145 L149	T89-F147 HydrophobicContact CG2-CD2 3.8Å; T89-F147 HydrophobicContact CG2-CE2 4.22Å; L90-F147 HydrophobicContact CD1-CE2 4.24Å; L90-F147 HydrophobicContact CD1-CZ 3.89Å; A93-F147 HydrophobicContact CB-CD1 3.7Å; A93-F147 HydrophobicContact CB-CD2 3.81Å; A93-F147 HydrophobicContact CB-CE1 3.66Å; A93-F147 HydrophobicContact CB-CE2 3.78Å; A93-F147 HydrophobicContact CB-CG 3.77Å; A93-F147 HydrophobicContact CB-CZ 3.71Å; Y97-F147 AromaticContact CE2-CD1 3.81Å; Y97-F147 HydrophobicContact CE2-CD1 3.81Å; Y97-F147 HydrophobicContact CE2-CE1 4.36Å; T140-F147 HydrophobicContact CG2-CE1 4.27Å; T140-F147 HydrophobicContact CG2-CZ 4.28Å; R143-F147 HydrophobicContact CB-CE1 4.1Å; R143-F147 WeakPolarHBondContact O-CD1 3.48Å; R143-F147 VanDerWaalsContact O-CE1 3.26Å; R143-F147 WeakPolarHBondContact O-CE1 3.44Å; R144-F147 HydrophobicContact CB-CZ 4.28Å; S145-F147 VanDerWaalsContact C-N 3.33Å; S145-F147 PolarHBondContact O-N 2.86Å; F147-L149 HydrophobicContact CD2-CB 4.02Å; F147-L149 HydrophobicContact CE2-CB 3.73Å; F147-L149 HydrophobicContact CE2-CD1 4.25Å; F147-L149 HydrophobicContact CE2-CD2 4.12Å; F147-L149 HydrophobicContact CE2-CG 4.26Å; F147-L149 PolarHBondContact O-N 3.24Å
148	Q	95.3	Very high	96.4	Very high	49 Å²	49	43 Å²	43	23%	0.229	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	70.2	-166.2	-62.3	-71.8	-38.5	0	0	112.1	V234 L236	Q148-V234 PolarHBondContact NE2-O 3.27Å; Q148-L236 HydrophobicContact CB-CD1 4Å; Q148-L236 HydrophobicContact CG-CD1 3.65Å
149	L	96.1	Very high	96.4	Very high	13 Å²	13	41.5 Å²	41.5	7%	0.068	20%	0.201	C	C	.	.			trans	-96.4	129.9	176.6	-164.1	67.8	0	0	0	111.4	G86 T89 F141 R144 F147 C153	G86-L149 WeakPolarHBondContact O-CD1 3.29Å; T89-L149 HydrophobicContact CG2-CD1 4.01Å; F141-L149 HydrophobicContact CD2-CD2 3.56Å; F141-L149 HydrophobicContact CE2-CD2 3.65Å; R144-L149 HydrophobicContact CB-CB 4.3Å; R144-L149 HydrophobicContact CB-CD2 3.97Å; F147-L149 HydrophobicContact CD2-CB 4.02Å; F147-L149 HydrophobicContact CE2-CB 3.73Å; F147-L149 HydrophobicContact CE2-CD1 4.25Å; F147-L149 HydrophobicContact CE2-CD2 4.12Å; F147-L149 HydrophobicContact CE2-CG 4.26Å; F147-L149 PolarHBondContact O-N 3.24Å; L149-C153 HydrophobicContact CD1-CB 4.11Å; L149-C153 HydrophobicContact CD2-CB 4.14Å; L149-C153 HydrophobicContact CG-CB 3.89Å
150	P	94.5	Very high	96.5	Very high	29 Å²	29	37.1 Å²	37.1	19%	0.188	18%	0.181	C	C	.	.			trans	-62.5	138.7	173.8	-22.5	33.7	0	0	0	112.1	S152 C153	P150-S152 PolarHBondContact O-N 3.17Å; P150-S152 VanDerWaalsContact O-N 3.15Å; P150-C153 WeakPolarHBondContact O-CB 3.25Å; P150-C153 PolarHBondContact O-N 3.41Å
151	D	94.8	Very high	96.4	Very high	54 Å²	54	43.3 Å²	43.3	29%	0.289	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-36.4	179.8	-64.9	-41.9	0	0	0	113	C153 N229 K271 L274	D151-C153 PolarHBondContact O-N 3.03Å; D151-N229 PolarHBondContact OD1-ND2 3.43Å; D151-K271 WeakPolarHBondContact OD2-CE 3.34Å; D151-K271 IonicContact OD2-NZ 3.77Å; D151-K271 PolarHBondContact OD2-NZ 3.36Å; D151-L274 HydrophobicContact CB-CD1 3.52Å; D151-L274 VanDerWaalsContact CG-CD1 3.43Å
152	S	96.7	Very high	96.5	Very high	12 Å²	12	46.8 Å²	46.8	8%	0.084	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-7.2	-179.5	65.3	0	0	0	0	114.2	P150 K154 Y155 F156 L177	P150-S152 PolarHBondContact O-N 3.17Å; P150-S152 VanDerWaalsContact O-N 3.15Å; S152-K154 PolarHBondContact O-N 3.4Å; S152-Y155 PolarHBondContact O-N 3.06Å; S152-F156 WeakPolarHBondContact O-CD2 3.22Å; S152-F156 PolarHBondContact O-N 2.91Å; S152-L177 WeakPolarHBondContact CB-O 3.18Å; S152-L177 PolarHBondContact OG-O 3.44Å
153	C	97.6	Very high	96.6	Very high	7 Å²	7	42.2 Å²	42.2	5%	0.047	20%	0.199	C	C	.	.	H	α-helix	trans	-56.6	-51.6	-173.7	-172.2	0	0	0	0	111.2	L149 P150 D151 Y155 F156 L157	L149-C153 HydrophobicContact CD1-CB 4.11Å; L149-C153 HydrophobicContact CD2-CB 4.14Å; L149-C153 HydrophobicContact CG-CB 3.89Å; P150-C153 WeakPolarHBondContact O-CB 3.25Å; P150-C153 PolarHBondContact O-N 3.41Å; D151-C153 PolarHBondContact O-N 3.03Å; C153-Y155 VanDerWaalsContact C-N 3.34Å; C153-Y155 PolarHBondContact O-N 2.92Å; C153-F156 PolarHBondContact O-N 2.82Å; C153-L157 WeakPolarHBondContact O-CG 3.44Å; C153-L157 PolarHBondContact O-N 3.25Å
154	K	97.3	Very high	96.7	Very high	83 Å²	83	41.4 Å²	41.4	36%	0.361	20%	0.199	S	C	.	.	H	α-helix	trans	-55.7	-47.8	179.9	-171.3	-177.8	-176	-63.8	0	112.2	W132 F141 S152 F156 L157 D158	W132-K154 HydrophobicContact CZ2-CG 4.28Å; F141-K154 HydrophobicContact CE1-CB 4.42Å; F141-K154 HydrophobicContact CE1-CD 3.84Å; F141-K154 HydrophobicContact CE1-CG 4.31Å; F141-K154 HydrophobicContact CE2-CB 3.87Å; F141-K154 HydrophobicContact CE2-CG 4.5Å; F141-K154 HydrophobicContact CZ-CB 3.57Å; F141-K154 HydrophobicContact CZ-CD 3.78Å; F141-K154 HydrophobicContact CZ-CG 3.94Å; S152-K154 PolarHBondContact O-N 3.4Å; K154-F156 VanDerWaalsContact C-N 3.33Å; K154-F156 PolarHBondContact O-N 3.33Å; K154-L157 PolarHBondContact O-N 2.99Å; K154-D158 IonicContact NZ-OD2 2.87Å; K154-D158 PolarHBondContact NZ-OD2 2.89Å; K154-D158 WeakPolarHBondContact O-CB 3.49Å; K154-D158 VanDerWaalsContact O-CG 3.24Å; K154-D158 PolarHBondContact O-N 3.32Å
155	Y	98.3	Very high	96.7	Very high	41 Å²	41	43.9 Å²	43.9	16%	0.161	21%	0.212	C	C	.	.	H	α-helix	trans	-55.7	-47.7	179.6	170.3	-97.5	0	0	0	111.9	S152 C153 N159 R162 R173 D174 L177	S152-Y155 PolarHBondContact O-N 3.06Å; C153-Y155 VanDerWaalsContact C-N 3.34Å; C153-Y155 PolarHBondContact O-N 2.92Å; Y155-N159 WeakPolarHBondContact O-CB 3.35Å; Y155-N159 PolarHBondContact O-N 3.47Å; Y155-N159 VanDerWaalsContact O-N 3.14Å; Y155-N159 PolarHBondContact O-ND2 2.83Å; Y155-R162 PolarHBondContact OH-NH2 3.12Å; Y155-R173 HydrophobicContact CE2-CG 4.21Å; Y155-D174 WeakPolarHBondContact CE1-OD1 3.48Å; Y155-D174 PolarHBondContact OH-OD1 2.78Å; Y155-D174 VanDerWaalsContact OH-OD1 3.11Å; Y155-L177 HydrophobicContact CD1-CB 4.34Å; Y155-L177 HydrophobicContact CD1-CD1 3.33Å; Y155-L177 HydrophobicContact CD1-CG 4.42Å; Y155-L177 HydrophobicContact CD2-CD1 3.76Å; Y155-L177 HydrophobicContact CE1-CD1 3.54Å; Y155-L177 HydrophobicContact CE2-CD1 3.96Å; Y155-L177 HydrophobicContact CG-CD1 3.44Å; Y155-L177 VanDerWaalsContact CG-CD1 3.44Å
156	F	98.6	Very high	96.7	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.009	25%	0.246	C	C	.	.	H	α-helix	trans	-72.1	-36.8	-178.5	-67.5	-60.1	0	0	0	112.7	I79 I83 S152 C153 K154 N159 I160 I163 D174 L177 C178	I79-F156 HydrophobicContact CG1-CE1 4.21Å; I79-F156 HydrophobicContact CG1-CZ 4.13Å; I79-F156 HydrophobicContact CG2-CD1 3.98Å; I79-F156 HydrophobicContact CG2-CE1 3.73Å; I79-F156 HydrophobicContact CG2-CZ 4.23Å; I83-F156 HydrophobicContact CD1-CB 4.01Å; I83-F156 HydrophobicContact CD1-CG 4.41Å; I83-F156 HydrophobicContact CG1-CB 3.6Å; I83-F156 HydrophobicContact CG1-CG 4.08Å; S152-F156 WeakPolarHBondContact O-CD2 3.22Å; S152-F156 PolarHBondContact O-N 2.91Å; C153-F156 PolarHBondContact O-N 2.82Å; K154-F156 VanDerWaalsContact C-N 3.33Å; K154-F156 PolarHBondContact O-N 3.33Å; F156-N159 CarbonylContact O-C 3.42Å; F156-N159 PolarHBondContact O-N 3.13Å; F156-I160 PolarHBondContact O-N 3.31Å; F156-I163 HydrophobicContact CB-CD1 4.3Å; F156-I163 HydrophobicContact CD1-CD1 3.73Å; F156-D174 HydrophobicContact CE1-CB 4.28Å; F156-L177 HydrophobicContact CE2-CB 4.3Å; F156-L177 HydrophobicContact CZ-CB 3.99Å; F156-C178 HydrophobicContact CZ-CB 4.17Å
157	L	98.3	Very high	96.8	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-65	-43.4	175.6	-66.2	-177.1	0	0	0	111.5	I83 M87 L90 V128 W132 C153 K154 N159 I160	I83-L157 HydrophobicContact CG2-CD2 4.35Å; M87-L157 HydrophobicContact CE-CD1 4.23Å; M87-L157 HydrophobicContact CE-CD2 3.82Å; L90-L157 HydrophobicContact CD2-CD1 4.46Å; V128-L157 HydrophobicContact CG1-CD2 3.59Å; W132-L157 HydrophobicContact CB-CB 4.42Å; W132-L157 HydrophobicContact CD2-CB 3.73Å; W132-L157 HydrophobicContact CD2-CD1 3.73Å; W132-L157 HydrophobicContact CD2-CG 4.33Å; W132-L157 HydrophobicContact CE3-CB 4.46Å; W132-L157 HydrophobicContact CE3-CD1 3.58Å; W132-L157 HydrophobicContact CG-CB 3.68Å; W132-L157 HydrophobicContact CG-CD1 4.25Å; W132-L157 HydrophobicContact CG-CG 4.44Å; W132-L157 HydrophobicContact CH2-CD1 4.47Å; W132-L157 HydrophobicContact CZ2-CB 4.43Å; W132-L157 HydrophobicContact CZ3-CD1 3.99Å; C153-L157 WeakPolarHBondContact O-CG 3.44Å; C153-L157 PolarHBondContact O-N 3.25Å; K154-L157 PolarHBondContact O-N 2.99Å; L157-N159 PolarHBondContact O-N 3.3Å; L157-I160 WeakPolarHBondContact O-CB 3.4Å; L157-I160 WeakPolarHBondContact O-CG2 3.35Å; L157-I160 PolarHBondContact O-N 3.49Å
158	D	98.2	Very high	96.9	Very high	81 Å²	81	53.1 Å²	53.1	43%	0.433	26%	0.259	S	S	.	.	H	α-helix	trans	-63.4	-26.7	174.6	-69.3	-14.8	0	0	0	112.5	W132 K154	W132-D158 PolarHBondContact NE1-OD1 3.32Å; K154-D158 IonicContact NZ-OD2 2.87Å; K154-D158 PolarHBondContact NZ-OD2 2.89Å; K154-D158 WeakPolarHBondContact O-CB 3.49Å; K154-D158 VanDerWaalsContact O-CG 3.24Å; K154-D158 PolarHBondContact O-N 3.32Å
159	N	98.4	Very high	97	Very high	48 Å²	48	55.3 Å²	55.3	26%	0.257	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	8.4	-179.9	-77.2	-95.4	0	0	0	113.9	Y155 F156 L157 K161 R162 I163	Y155-N159 WeakPolarHBondContact O-CB 3.35Å; Y155-N159 PolarHBondContact O-N 3.47Å; Y155-N159 VanDerWaalsContact O-N 3.14Å; Y155-N159 PolarHBondContact O-ND2 2.83Å; F156-N159 CarbonylContact O-C 3.42Å; F156-N159 PolarHBondContact O-N 3.13Å; L157-N159 PolarHBondContact O-N 3.3Å; N159-K161 PolarHBondContact O-N 3.33Å; N159-K161 VanDerWaalsContact O-N 3.12Å; N159-R162 WeakPolarHBondContact O-CB 3.46Å; N159-R162 PolarHBondContact O-N 2.88Å; N159-I163 HydrophobicContact CB-CD1 3.91Å; N159-I163 HydrophobicContact CB-CG1 4.43Å; N159-I163 WeakPolarHBondContact O-CG1 3.25Å; N159-I163 PolarHBondContact O-N 2.9Å; N159-I163 VanDerWaalsContact O-N 3.11Å
160	I	98.1	Very high	97.1	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-57.6	-34.4	-172.4	-170.3	59.3	0	0	0	112.8	I83 F121 V128 A129 F156 L157 R162 I163 Q164	I83-I160 HydrophobicContact CD1-CD1 4.41Å; I83-I160 HydrophobicContact CG2-CD1 4.15Å; F121-I160 HydrophobicContact CE2-CD1 4.28Å; F121-I160 HydrophobicContact CZ-CD1 3.84Å; V128-I160 HydrophobicContact CB-CD1 4.48Å; V128-I160 HydrophobicContact CB-CG1 4.41Å; V128-I160 HydrophobicContact CG1-CD1 4.08Å; V128-I160 HydrophobicContact CG1-CG1 4.07Å; A129-I160 HydrophobicContact CB-CG1 4.1Å; A129-I160 HydrophobicContact CB-CG2 3.6Å; F156-I160 PolarHBondContact O-N 3.31Å; L157-I160 WeakPolarHBondContact O-CB 3.4Å; L157-I160 WeakPolarHBondContact O-CG2 3.35Å; L157-I160 PolarHBondContact O-N 3.49Å; I160-R162 VanDerWaalsContact C-N 3.28Å; I160-R162 PolarHBondContact O-N 3.28Å; I160-I163 PolarHBondContact O-N 3.41Å; I160-I163 VanDerWaalsContact O-N 3.16Å; I160-Q164 WeakPolarHBondContact O-CB 3.22Å; I160-Q164 VanDerWaalsContact O-CG 3.32Å; I160-Q164 WeakPolarHBondContact O-CG 3.46Å; I160-Q164 PolarHBondContact O-N 3.38Å
161	K	96.9	Very high	97.3	Very high	134 Å²	134	56.3 Å²	56.3	58%	0.583	28%	0.275	S	S	*	.	H	α-helix	trans	-62	-33.4	178	-68.3	178.4	-177.2	166.2	0	113.2	N159 Q164 Q165	N159-K161 PolarHBondContact O-N 3.33Å; N159-K161 VanDerWaalsContact O-N 3.12Å; K161-Q164 WeakPolarHBondContact O-CG 3.38Å; K161-Q165 PolarHBondContact O-NE2 3.33Å
162	R	97.9	Very high	97.4	Very high	83 Å²	83	56.3 Å²	56.3	31%	0.313	28%	0.275	S	S	.	.	H	α-helix	trans	-77.5	-42	173.4	177.7	-179.9	60.9	86.2	1	111	Y155 N159 I160 Q165 D174	Y155-R162 PolarHBondContact OH-NH2 3.12Å; N159-R162 WeakPolarHBondContact O-CB 3.46Å; N159-R162 PolarHBondContact O-N 2.88Å; I160-R162 VanDerWaalsContact C-N 3.28Å; I160-R162 PolarHBondContact O-N 3.28Å; R162-Q165 WeakPolarHBondContact O-CG 3.4Å; R162-Q165 PolarHBondContact O-N 3.4Å; R162-D174 IonicContact CZ-OD1 3.85Å; R162-D174 IonicContact CZ-OD2 3.73Å; R162-D174 IonicContact NH1-OD1 2.81Å; R162-D174 IonicContact NH1-OD2 3.15Å; R162-D174 PolarHBondContact NH1-OD2 2.85Å; R162-D174 IonicContact NH2-OD1 3.09Å; R162-D174 PolarHBondContact NH2-OD1 2.97Å; R162-D174 IonicContact NH2-OD2 3.82Å
163	I	98.2	Very high	97.4	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-73.7	-29	-173.1	-63.3	166.5	0	0	0	112.3	Y80 I83 F121 F156 N159 I160 Q165 Y168	Y80-I163 HydrophobicContact CD1-CG2 4.2Å; Y80-I163 HydrophobicContact CE1-CG2 3.76Å; I83-I163 HydrophobicContact CD1-CD1 4.11Å; I83-I163 HydrophobicContact CD1-CG2 3.78Å; F121-I163 HydrophobicContact CE1-CG2 4.24Å; F121-I163 HydrophobicContact CZ-CG2 3.84Å; F156-I163 HydrophobicContact CB-CD1 4.3Å; F156-I163 HydrophobicContact CD1-CD1 3.73Å; N159-I163 HydrophobicContact CB-CD1 3.91Å; N159-I163 HydrophobicContact CB-CG1 4.43Å; N159-I163 WeakPolarHBondContact O-CG1 3.25Å; N159-I163 PolarHBondContact O-N 2.9Å; N159-I163 VanDerWaalsContact O-N 3.11Å; I160-I163 PolarHBondContact O-N 3.41Å; I160-I163 VanDerWaalsContact O-N 3.16Å; I163-Q165 VanDerWaalsContact C-N 3.25Å; I163-Q165 PolarHBondContact O-N 3.32Å; I163-Y168 HydrophobicContact CG1-CD2 4.5Å; I163-Y168 HydrophobicContact CG1-CE2 4.08Å; I163-Y168 HydrophobicContact CG2-CD1 3.97Å; I163-Y168 HydrophobicContact CG2-CE1 3.77Å; I163-Y168 HydrophobicContact CG2-CG 4.48Å; I163-Y168 WeakPolarHBondContact O-CB 3.37Å
164	Q	96.5	Very high	97.5	Very high	64 Å²	64	61.5 Å²	61.5	30%	0.299	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-10.2	178.7	74.2	179.8	-8.6	0	0	114.2	A125 I160 K161	A125-Q164 HydrophobicContact CB-CB 3.58Å; I160-Q164 WeakPolarHBondContact O-CB 3.22Å; I160-Q164 VanDerWaalsContact O-CG 3.32Å; I160-Q164 WeakPolarHBondContact O-CG 3.46Å; I160-Q164 PolarHBondContact O-N 3.38Å; K161-Q164 WeakPolarHBondContact O-CG 3.38Å
165	Q	96.5	Very high	97.5	Very high	95 Å²	95	57.6 Å²	57.6	44%	0.444	27%	0.274	S	S	.	.	S	Bend	trans	-67	145.1	178.8	-57.4	-56.8	-44.3	0	0	110.7	K161 R162 I163 D167 Y168	K161-Q165 PolarHBondContact O-NE2 3.33Å; R162-Q165 WeakPolarHBondContact O-CG 3.4Å; R162-Q165 PolarHBondContact O-N 3.4Å; I163-Q165 VanDerWaalsContact C-N 3.25Å; I163-Q165 PolarHBondContact O-N 3.32Å; Q165-D167 WeakPolarHBondContact CB-OD1 3.04Å; Q165-D167 PolarHBondContact O-N 3.14Å; Q165-Y168 WeakPolarHBondContact O-CB 3.5Å; Q165-Y168 PolarHBondContact O-N 2.97Å; Q165-Y168 VanDerWaalsContact O-N 3.1Å
166	L	93.8	Very high	97.5	Very high	169 Å²	169	55.9 Å²	55.9	89%	0.885	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-35	-178.3	-69.1	172.5	0	0	0	112.2	Y168	L166-Y168 VanDerWaalsContact C-N 3.28Å; L166-Y168 PolarHBondContact O-N 2.81Å
167	D	95.5	Very high	97.5	Very high	135 Å²	135	57.2 Å²	57.2	72%	0.722	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	8	178.6	67.3	-25.1	0	0	0	113.5	Q165 F169	Q165-D167 WeakPolarHBondContact CB-OD1 3.04Å; Q165-D167 PolarHBondContact O-N 3.14Å; D167-F169 PolarHBondContact O-N 3.29Å; D167-F169 VanDerWaalsContact O-N 3.13Å
168	Y	97.6	Very high	97.4	Very high	9 Å²	9	57.4 Å²	57.4	4%	0.035	28%	0.277	C	S	.	.			trans	-54.7	121.5	178.1	169.8	-120	0	0	0	111.7	K76 Y80 I163 Q165 L166 P170 D174	K76-Y168 HydrophobicContact CD-CD1 4.37Å; K76-Y168 WeakPolarHBondContact CE-O 3.37Å; K76-Y168 HydrophobicContact CG-CD1 4.2Å; K76-Y168 HydrophobicContact CG-CE1 4.15Å; K76-Y168 PolarHBondContact NZ-O 3.48Å; Y80-Y168 AromaticContact CE1-CD1 3.82Å; Y80-Y168 HydrophobicContact CE1-CD1 3.82Å; Y80-Y168 AromaticContact CE1-CE1 3.98Å; Y80-Y168 HydrophobicContact CE1-CE1 3.98Å; I163-Y168 HydrophobicContact CG1-CD2 4.5Å; I163-Y168 HydrophobicContact CG1-CE2 4.08Å; I163-Y168 HydrophobicContact CG2-CD1 3.97Å; I163-Y168 HydrophobicContact CG2-CE1 3.77Å; I163-Y168 HydrophobicContact CG2-CG 4.48Å; I163-Y168 WeakPolarHBondContact O-CB 3.37Å; Q165-Y168 WeakPolarHBondContact O-CB 3.5Å; Q165-Y168 PolarHBondContact O-N 2.97Å; Q165-Y168 VanDerWaalsContact O-N 3.1Å; L166-Y168 VanDerWaalsContact C-N 3.28Å; L166-Y168 PolarHBondContact O-N 2.81Å; Y168-P170 HydrophobicContact CE1-CG 4.04Å; Y168-D174 VanDerWaalsContact OH-CG 3.26Å; Y168-D174 PolarHBondContact OH-OD2 3.4Å; Y168-D174 VanDerWaalsContact OH-OD2 3.07Å
169	F	97.5	Very high	97.3	Very high	96 Å²	96	57.2 Å²	57.2	42%	0.421	27%	0.27	S	S	.	.			trans	-118.4	126.9	170.6	-171	-92.4	0	0	0	109.5	F69 A72 M73 D167 T171	F69-F169 AromaticContact CD2-CE2 3.76Å; F69-F169 HydrophobicContact CD2-CE2 3.76Å; F69-F169 HydrophobicContact CE2-CE2 4.12Å; A72-F169 HydrophobicContact CB-CE1 3.91Å; A72-F169 HydrophobicContact CB-CE2 3.85Å; A72-F169 HydrophobicContact CB-CZ 3.37Å; M73-F169 HydrophobicContact CE-CD2 3.37Å; M73-F169 HydrophobicContact CE-CE2 3.49Å; M73-F169 VanDerWaalsContact CE-CE2 3.49Å; M73-F169 HydrophobicContact CE-CG 4.39Å; D167-F169 PolarHBondContact O-N 3.29Å; D167-F169 VanDerWaalsContact O-N 3.13Å; F169-T171 PolarHBondContact O-N 3.11Å
170	P	98.3	Very high	97.1	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.019	28%	0.278	C	S	.	.			trans	-60.4	129.9	-178.5	-27.5	37.2	0	0	0	113.1	A72 K76 I79 Y168 D174 I175	A72-P170 WeakPolarHBondContact O-CG 3.33Å; K76-P170 HydrophobicContact CB-CG 3.68Å; K76-P170 HydrophobicContact CG-CG 4.24Å; I79-P170 HydrophobicContact CD1-CB 3.89Å; I79-P170 HydrophobicContact CD1-CG 4.02Å; Y168-P170 HydrophobicContact CE1-CG 4.04Å; P170-D174 HydrophobicContact CB-CB 4.21Å; P170-I175 HydrophobicContact CB-CD1 4.24Å; P170-I175 HydrophobicContact CB-CG1 3.94Å
171	T	97.5	Very high	96.9	Very high	60 Å²	60	61.6 Å²	61.6	37%	0.368	30%	0.295	S	S	.	.			trans	-78.2	163.9	171.1	64.3	0	0	0	0	110.8	F169 R173 D174 I175	F169-T171 PolarHBondContact O-N 3.11Å; T171-R173 PolarHBondContact O-N 3.2Å; T171-R173 VanDerWaalsContact O-N 3.17Å; T171-R173 PolarHBondContact OG1-N 3.17Å; T171-D174 PolarHBondContact N-OD2 3.26Å; T171-D174 WeakPolarHBondContact O-CB 3.47Å; T171-D174 PolarHBondContact O-N 3.22Å; T171-D174 PolarHBondContact OG1-N 3.13Å; T171-D174 VanDerWaalsContact OG1-N 3.12Å; T171-D174 PolarHBondContact OG1-OD2 3.42Å; T171-I175 WeakPolarHBondContact O-CG1 3.43Å; T171-I175 PolarHBondContact O-N 2.78Å
172	N	97.3	Very high	96.8	Very high	54 Å²	54	56.7 Å²	56.7	29%	0.289	28%	0.276	S	S	.	.	H	α-helix	trans	-52.4	-38	169.9	-78.7	-4.9	0	0	0	111.8	I60 G65 F67 I175 L176	I60-N172 HydrophobicContact CD1-CB 4.09Å; G65-N172 PolarHBondContact O-ND2 3.35Å; F67-N172 WeakPolarHBondContact CD2-OD1 3.23Å; N172-I175 PolarHBondContact O-N 3.47Å; N172-L176 WeakPolarHBondContact O-CB 3.42Å; N172-L176 WeakPolarHBondContact O-CG 3.5Å; N172-L176 PolarHBondContact O-N 2.83Å
173	R	97.6	Very high	96.5	Very high	127 Å²	127	61.8 Å²	61.8	48%	0.479	30%	0.295	S	S	.	.	H	α-helix	trans	-65.1	-44	177.2	-172.4	173.4	-176.5	107.7	0.3	112.1	Y155 T171 I175 L176 L177	Y155-R173 HydrophobicContact CE2-CG 4.21Å; T171-R173 PolarHBondContact O-N 3.2Å; T171-R173 VanDerWaalsContact O-N 3.17Å; T171-R173 PolarHBondContact OG1-N 3.17Å; R173-I175 VanDerWaalsContact C-N 3.29Å; R173-I175 PolarHBondContact O-N 2.9Å; R173-L176 PolarHBondContact O-N 3.3Å; R173-L177 HydrophobicContact CG-CD1 3.83Å; R173-L177 WeakPolarHBondContact O-CB 3.31Å; R173-L177 PolarHBondContact O-N 3.2Å
174	D	98.4	Very high	96.2	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-58.8	-44.1	175.3	-62.1	-43.2	0	0	0	110.8	I79 Y155 F156 R162 Y168 P170 T171 L177 C178	I79-D174 HydrophobicContact CD1-CB 3.84Å; Y155-D174 WeakPolarHBondContact CE1-OD1 3.48Å; Y155-D174 PolarHBondContact OH-OD1 2.78Å; Y155-D174 VanDerWaalsContact OH-OD1 3.11Å; F156-D174 HydrophobicContact CE1-CB 4.28Å; R162-D174 IonicContact CZ-OD1 3.85Å; R162-D174 IonicContact CZ-OD2 3.73Å; R162-D174 IonicContact NH1-OD1 2.81Å; R162-D174 IonicContact NH1-OD2 3.15Å; R162-D174 PolarHBondContact NH1-OD2 2.85Å; R162-D174 IonicContact NH2-OD1 3.09Å; R162-D174 PolarHBondContact NH2-OD1 2.97Å; R162-D174 IonicContact NH2-OD2 3.82Å; Y168-D174 VanDerWaalsContact OH-CG 3.26Å; Y168-D174 PolarHBondContact OH-OD2 3.4Å; Y168-D174 VanDerWaalsContact OH-OD2 3.07Å; P170-D174 HydrophobicContact CB-CB 4.21Å; T171-D174 PolarHBondContact N-OD2 3.26Å; T171-D174 WeakPolarHBondContact O-CB 3.47Å; T171-D174 PolarHBondContact O-N 3.22Å; T171-D174 PolarHBondContact OG1-N 3.13Å; T171-D174 VanDerWaalsContact OG1-N 3.12Å; T171-D174 PolarHBondContact OG1-OD2 3.42Å; D174-L177 PolarHBondContact O-N 3.44Å; D174-C178 WeakPolarHBondContact O-CB 3.5Å; D174-C178 PolarHBondContact O-N 3.36Å
175	I	98.2	Very high	96.1	Very high	1 Å²	1	64 Å²	64	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-68.2	-38.9	-179.5	-64.9	169.4	0	0	0	111.7	K56 F67 A72 Y75 P170 T171 N172 R173 L177 C178	K56-I175 HydrophobicContact CD-CG2 4.22Å; K56-I175 PolarHBondContact NZ-O 3.43Å; F67-I175 HydrophobicContact CB-CD1 3.81Å; F67-I175 HydrophobicContact CD1-CG2 4.36Å; F67-I175 HydrophobicContact CD2-CB 4.21Å; F67-I175 HydrophobicContact CD2-CD1 3.42Å; F67-I175 VanDerWaalsContact CD2-CD1 3.42Å; F67-I175 HydrophobicContact CD2-CG1 4.4Å; F67-I175 HydrophobicContact CD2-CG2 3.84Å; F67-I175 HydrophobicContact CE1-CG2 4.06Å; F67-I175 HydrophobicContact CE2-CB 4.08Å; F67-I175 HydrophobicContact CE2-CD1 4.17Å; F67-I175 HydrophobicContact CE2-CG2 3.51Å; F67-I175 HydrophobicContact CG-CD1 3.69Å; F67-I175 HydrophobicContact CG-CG2 4.26Å; F67-I175 HydrophobicContact CZ-CG2 3.64Å; A72-I175 HydrophobicContact CB-CD1 4.42Å; Y75-I175 HydrophobicContact CD1-CG2 4.21Å; Y75-I175 HydrophobicContact CD2-CB 4.35Å; Y75-I175 HydrophobicContact CD2-CD1 4.09Å; Y75-I175 HydrophobicContact CD2-CG1 3.96Å; Y75-I175 HydrophobicContact CD2-CG2 3.52Å; Y75-I175 HydrophobicContact CE1-CG2 4.24Å; Y75-I175 HydrophobicContact CE2-CG2 3.58Å; Y75-I175 HydrophobicContact CG-CB 4.46Å; Y75-I175 HydrophobicContact CG-CG1 4.06Å; Y75-I175 HydrophobicContact CG-CG2 3.87Å; P170-I175 HydrophobicContact CB-CD1 4.24Å; P170-I175 HydrophobicContact CB-CG1 3.94Å; T171-I175 WeakPolarHBondContact O-CG1 3.43Å; T171-I175 PolarHBondContact O-N 2.78Å; N172-I175 PolarHBondContact O-N 3.47Å; R173-I175 VanDerWaalsContact C-N 3.29Å; R173-I175 PolarHBondContact O-N 2.9Å; I175-L177 VanDerWaalsContact C-N 3.33Å; I175-C178 PolarHBondContact O-SG 3.13Å
176	L	98	Very high	96	Very high	6 Å²	6	62.4 Å²	62.4	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-66.2	-35.6	176.6	-73.9	168.9	0	0	0	112.2	T53 K56 Q57 I60 N172 R173 I328	T53-L176 HydrophobicContact CG2-CB 4.24Å; T53-L176 HydrophobicContact CG2-CD2 3.8Å; T53-L176 WeakPolarHBondContact CG2-O 3.42Å; T53-L176 PolarHBondContact OG1-O 3.24Å; K56-L176 HydrophobicContact CB-CD2 3.76Å; Q57-L176 HydrophobicContact CG-CD2 3.8Å; I60-L176 HydrophobicContact CD1-CD1 3.9Å; I60-L176 HydrophobicContact CD1-CD2 4.1Å; I60-L176 HydrophobicContact CD1-CG 4.09Å; N172-L176 WeakPolarHBondContact O-CB 3.42Å; N172-L176 WeakPolarHBondContact O-CG 3.5Å; N172-L176 PolarHBondContact O-N 2.83Å; R173-L176 PolarHBondContact O-N 3.3Å; L176-I328 HydrophobicContact CB-CG2 4.35Å
177	L	98	Very high	96.1	Very high	29 Å²	29	59 Å²	59	15%	0.152	29%	0.293	C	S	.	.	H	α-helix	trans	-84.9	-21.6	-179.2	-77	164.2	0	0	0	113.9	S152 Y155 F156 R173 D174 I175 I328	S152-L177 WeakPolarHBondContact CB-O 3.18Å; S152-L177 PolarHBondContact OG-O 3.44Å; Y155-L177 HydrophobicContact CD1-CB 4.34Å; Y155-L177 HydrophobicContact CD1-CD1 3.33Å; Y155-L177 HydrophobicContact CD1-CG 4.42Å; Y155-L177 HydrophobicContact CD2-CD1 3.76Å; Y155-L177 HydrophobicContact CE1-CD1 3.54Å; Y155-L177 HydrophobicContact CE2-CD1 3.96Å; Y155-L177 HydrophobicContact CG-CD1 3.44Å; Y155-L177 VanDerWaalsContact CG-CD1 3.44Å; F156-L177 HydrophobicContact CE2-CB 4.3Å; F156-L177 HydrophobicContact CZ-CB 3.99Å; R173-L177 HydrophobicContact CG-CD1 3.83Å; R173-L177 WeakPolarHBondContact O-CB 3.31Å; R173-L177 PolarHBondContact O-N 3.2Å; D174-L177 PolarHBondContact O-N 3.44Å; I175-L177 VanDerWaalsContact C-N 3.33Å; L177-I328 HydrophobicContact CD2-CD1 4.04Å; L177-I328 HydrophobicContact CD2-CG2 3.85Å; L177-I328 HydrophobicContact CG-CG2 4.13Å
178	C	97.1	Very high	96.1	Very high	7 Å²	7	55.3 Å²	55.3	5%	0.047	27%	0.273	C	S	.	.			trans	-67	139.1	179.6	82.7	0	0	0	0	111.6	Y75 I79 F156 D174 I175	Y75-C178 WeakPolarHBondContact CD1-SG 3.46Å; I79-C178 HydrophobicContact CD1-CB 4.35Å; I79-C178 HydrophobicContact CG1-CB 3.53Å; F156-C178 HydrophobicContact CZ-CB 4.17Å; D174-C178 WeakPolarHBondContact O-CB 3.5Å; D174-C178 PolarHBondContact O-N 3.36Å; I175-C178 PolarHBondContact O-SG 3.13Å
179	R	95.5	Very high	96	Very high	77 Å²	77	58.2 Å²	58.2	29%	0.291	29%	0.292	S	S	.	.			trans	-96.8	113.7	176.1	-177.3	-174.4	174.8	174.5	0.2	110.2	E48 N82	E48-R179 VanDerWaalsContact OE1-CD 3.27Å; E48-R179 WeakPolarHBondContact OE1-CD 3.4Å; E48-R179 IonicContact OE1-CZ 3.67Å; E48-R179 IonicContact OE1-NE 3.6Å; E48-R179 PolarHBondContact OE1-NE 2.79Å; E48-R179 VanDerWaalsContact OE1-NE 3.14Å; E48-R179 IonicContact OE1-NH1 3.61Å; E48-R179 PolarHBondContact OE1-NH1 2.96Å; E48-R179 IonicContact OE1-NH2 2.85Å; E48-R179 IonicContact OE2-CZ 2.56Å; E48-R179 IonicContact OE2-NH1 2.98Å; E48-R179 PolarHBondContact OE2-NH1 3.42Å; E48-R179 IonicContact OE2-NH2 3.61Å; N82-R179 PolarHBondContact ND2-O 3.24Å; N82-R179 PolarHBondContact OD1-N 3.24Å; N82-R179 PolarHBondContact OD1-O 2.99Å
180	K	94.9	Very high	95.9	Very high	99 Å²	99	54.6 Å²	54.6	43%	0.43	28%	0.276	S	S	.	.			trans	-118.9	122	165.1	-171.6	178.5	176.5	-175.8	0	108.4	E74 V78 T182	E74-K180 IonicContact OE1-NZ 3.41Å; E74-K180 PolarHBondContact OE1-NZ 3.11Å; V78-K180 HydrophobicContact CG1-CB 4.22Å; V78-K180 HydrophobicContact CG2-CD 4.44Å; K180-T182 PolarHBondContact O-N 2.6Å
181	A	93.9	Very high	95.5	Very high	46 Å²	46	60.5 Å²	60.5	38%	0.38	31%	0.307	S	S	.	.			trans	-69.1	121.6	179.2	0	0	0	0	0	110.7	R183	A181-R183 PolarHBondContact O-N 2.85Å
182	T	93.7	Very high	95.2	Very high	30 Å²	30	58.1 Å²	58.1	18%	0.184	29%	0.292	C	S	.	.			trans	-75.4	107	178.4	-52.1	0	0	0	0	110.3	S52 K180 A184 G203	S52-T182 PolarHBondContact OG-OG1 3.14Å; K180-T182 PolarHBondContact O-N 2.6Å; T182-A184 VanDerWaalsContact CG2-O 3.27Å; T182-A184 WeakPolarHBondContact CG2-O 3.44Å; T182-G203 WeakPolarHBondContact O-CA 3.39Å
183	R	92.4	Very high	94.6	Very high	191 Å²	191	62.4 Å²	62.4	72%	0.721	31%	0.31	S	S	*	.			trans	-98.8	-29.6	-179.9	-66	-179	180	170.6	-0.3	113.2	A181 Q208 K211	A181-R183 PolarHBondContact O-N 2.85Å; R183-Q208 PolarHBondContact O-NE2 2.9Å; R183-K211 PolarHBondContact O-NZ 3.44Å
184	A	92.4	Very high	93.9	Very high	59 Å²	59	62.1 Å²	62.1	49%	0.488	33%	0.328	S	S	.	.	S	Bend	trans	-107.6	158.4	179.9	0	0	0	0	0	110.9	T182	T182-A184 VanDerWaalsContact CG2-O 3.27Å; T182-A184 WeakPolarHBondContact CG2-O 3.44Å
185	I	94.8	Very high	93.5	Very high	52 Å²	52	63.9 Å²	63.9	27%	0.267	34%	0.338	S	S	.	.			trans	-71.2	127.8	168.6	-59.3	162.4	0	0	0	106.8	E187 I200 V202 K211 E214 C215	I185-E187 HydrophobicContact CG2-CG 4.47Å; I185-I200 HydrophobicContact CG2-CG2 3.68Å; I185-V202 HydrophobicContact CB-CG1 4.47Å; I185-V202 HydrophobicContact CG1-CG1 4Å; I185-V202 HydrophobicContact CG2-CG1 4.16Å; I185-K211 HydrophobicContact CD1-CB 4.35Å; I185-K211 HydrophobicContact CG1-CB 4.4Å; I185-E214 HydrophobicContact CD1-CB 4.09Å; I185-C215 VanDerWaalsContact CD1-SG 3.55Å
186	T	94	Very high	93.2	Very high	60 Å²	60	64.3 Å²	64.3	37%	0.368	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.2	178.9	-56.7	0	0	0	0	109	L55 D201	L55-T186 HydrophobicContact CD2-CG2 4.35Å; T186-D201 PolarHBondContact N-O 3.08Å; T186-D201 PolarHBondContact O-N 2.69Å
187	E	95.6	Very high	93.1	Very high	99 Å²	99	64 Å²	64	46%	0.463	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.7	178.9	-62.4	-174.3	-152.3	0	0	110.7	I185 R198 F199 I200	I185-E187 HydrophobicContact CG2-CG 4.47Å; E187-R198 IonicContact OE2-CZ 3.3Å; E187-R198 IonicContact OE2-NH1 3.2Å; E187-R198 PolarHBondContact OE2-NH1 2.89Å; E187-F199 VanDerWaalsContact CA-O 3.31Å; E187-F199 WeakPolarHBondContact CA-O 3.39Å; E187-I200 HydrophobicContact CG-CG1 4.17Å; E187-I200 HydrophobicContact CG-CG2 4.37Å
188	L	95.6	Very high	93	Very high	57 Å²	57	65.8 Å²	65.8	30%	0.298	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	139.4	171.3	-61.6	179.3	0	0	0	110	L55 V59 F190 R198 F199	L55-L188 HydrophobicContact CD1-CB 4.15Å; L55-L188 HydrophobicContact CD1-CD1 3.85Å; L55-L188 HydrophobicContact CD1-CG 4.29Å; L55-L188 HydrophobicContact CD2-CD1 3.95Å; L55-L188 HydrophobicContact CD2-CG 4.23Å; L55-L188 HydrophobicContact CG-CD1 3.72Å; L55-L188 HydrophobicContact CG-CG 4.41Å; V59-L188 HydrophobicContact CG2-CD1 3.69Å; L188-F190 HydrophobicContact CB-CE2 3.62Å; L188-F190 HydrophobicContact CB-CZ 3.85Å; L188-F190 HydrophobicContact CD1-CE2 4.32Å; L188-F190 HydrophobicContact CD1-CZ 3.92Å; L188-R198 CarbonylContact O-C 3.54Å; L188-R198 WeakPolarHBondContact O-CA 3.41Å; L188-F199 PolarHBondContact N-O 3.43Å; L188-F199 PolarHBondContact O-N 3.35Å
189	V	95.3	Very high	93	Very high	70 Å²	70	65.4 Å²	65.4	42%	0.424	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.7	178.7	-175.9	0	0	0	0	109.7	P196 F197 R198	V189-P196 HydrophobicContact CG1-CB 4.23Å; V189-F197 CarbonylContact C-O 3.59Å; V189-F197 VanDerWaalsContact CA-O 3.28Å; V189-F197 WeakPolarHBondContact CA-O 3.27Å; V189-R198 HydrophobicContact CG2-CB 4.09Å; V189-R198 HydrophobicContact CG2-CG 4.12Å
190	F	94.7	Very high	93	Very high	20 Å²	20	62.2 Å²	62.2	9%	0.088	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.6	176.3	-55.8	-83.2	0	0	0	110.1	L55 M58 V59 H62 L188 I192 F197 F199	L55-F190 HydrophobicContact CD1-CE2 4.36Å; M58-F190 HydrophobicContact CB-CD2 4.02Å; M58-F190 HydrophobicContact CB-CE2 3.49Å; M58-F190 VanDerWaalsContact CB-CE2 3.49Å; M58-F190 HydrophobicContact CB-CZ 3.81Å; V59-F190 HydrophobicContact CG2-CE1 4.26Å; V59-F190 HydrophobicContact CG2-CZ 3.82Å; H62-F190 HydrophobicContact CB-CB 4.18Å; H62-F190 HydrophobicContact CB-CD1 4.22Å; H62-F190 HydrophobicContact CB-CG 4.29Å; L188-F190 HydrophobicContact CB-CE2 3.62Å; L188-F190 HydrophobicContact CB-CZ 3.85Å; L188-F190 HydrophobicContact CD1-CE2 4.32Å; L188-F190 HydrophobicContact CD1-CZ 3.92Å; F190-I192 HydrophobicContact CB-CD1 4.33Å; F190-I192 HydrophobicContact CB-CG1 4.04Å; F190-I192 PolarHBondContact O-N 3.34Å; F190-F197 PolarHBondContact N-O 3.34Å; F190-F197 PolarHBondContact O-N 2.87Å; F190-F199 AromaticContact CD2-CD2 3.65Å; F190-F199 HydrophobicContact CD2-CD2 3.65Å; F190-F199 AromaticContact CD2-CE2 3.78Å; F190-F199 HydrophobicContact CD2-CE2 3.78Å; F190-F199 AromaticContact CE2-CD2 3.96Å; F190-F199 HydrophobicContact CE2-CD2 3.96Å; F190-F199 HydrophobicContact CE2-CE2 4.37Å
191	N	91.7	Very high	93.1	Very high	127 Å²	127	57.7 Å²	57.7	68%	0.679	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	100.1	173.4	-71.3	-33.5	0	0	0	109.3
192	I	90.3	Very high	93.2	Very high	9 Å²	9	55.5 Å²	55.5	5%	0.046	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	111.3	-177	-50.6	-178.6	0	0	0	108	H62 F190 S194 V195 F197 F337 K341	H62-I192 HydrophobicContact CB-CD1 4.39Å; H62-I192 HydrophobicContact CB-CG1 4.33Å; F190-I192 HydrophobicContact CB-CD1 4.33Å; F190-I192 HydrophobicContact CB-CG1 4.04Å; F190-I192 PolarHBondContact O-N 3.34Å; I192-S194 VanDerWaalsContact C-N 3.27Å; I192-S194 PolarHBondContact O-N 2.85Å; I192-V195 PolarHBondContact N-O 2.83Å; I192-V195 PolarHBondContact O-N 3.4Å; I192-F197 HydrophobicContact CB-CD2 3.8Å; I192-F197 HydrophobicContact CB-CE2 4.1Å; I192-F197 HydrophobicContact CD1-CB 4.01Å; I192-F197 HydrophobicContact CD1-CD2 3.9Å; I192-F197 HydrophobicContact CD1-CG 3.91Å; I192-F197 HydrophobicContact CG1-CB 4.43Å; I192-F197 HydrophobicContact CG1-CD2 3.99Å; I192-F197 HydrophobicContact CG1-CG 4.41Å; I192-F337 HydrophobicContact CD1-CE1 3.6Å; I192-F337 HydrophobicContact CD1-CZ 3.87Å; I192-K341 HydrophobicContact CG2-CD 4.06Å
193	Q	84.3	Confident	93.3	Very high	145 Å²	145	54.4 Å²	54.4	68%	0.678	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	44.3	-177.1	-63.1	179.1	-40.7	0	0	113.2	V195	Q193-V195 PolarHBondContact O-N 3.47Å
194	S	84.2	Confident	93.3	Very high	120 Å²	120	45.6 Å²	45.6	84%	0.839	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	6	-177.5	-44.7	0	0	0	0	116	I192	I192-S194 VanDerWaalsContact C-N 3.27Å; I192-S194 PolarHBondContact O-N 2.85Å
195	V	89.3	Confident	93.3	Very high	37 Å²	37	45.2 Å²	45.2	22%	0.224	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.7	170.4	-178	0	0	0	0	108.7	V39 I192 Q193 F197 L345	V39-V195 HydrophobicContact CG2-CG1 3.83Å; I192-V195 PolarHBondContact N-O 2.83Å; I192-V195 PolarHBondContact O-N 3.4Å; Q193-V195 PolarHBondContact O-N 3.47Å; V195-F197 HydrophobicContact CB-CD2 4.32Å; V195-F197 HydrophobicContact CB-CE2 3.94Å; V195-F197 HydrophobicContact CG1-CD2 4.12Å; V195-F197 HydrophobicContact CG1-CE2 3.77Å; V195-F197 WeakPolarHBondContact O-CD2 2.91Å; V195-F197 PolarHBondContact O-N 3.22Å; V195-L345 HydrophobicContact CG1-CD2 4.08Å; V195-L345 HydrophobicContact CG2-CD2 4.37Å
196	P	92.7	Very high	93.2	Very high	11 Å²	11	47.1 Å²	47.1	7%	0.071	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	122	173.6	24.6	-22.9	0	0	0	109.8	E38 V39 V189	E38-P196 WeakPolarHBondContact CA-O 3.48Å; E38-P196 HydrophobicContact CB-CG 4.03Å; E38-P196 HydrophobicContact CG-CB 4.14Å; E38-P196 HydrophobicContact CG-CG 4.17Å; E38-P196 WeakPolarHBondContact CG-O 3.49Å; V39-P196 PolarHBondContact N-O 2.86Å; V189-P196 HydrophobicContact CG1-CB 4.23Å
197	F	94.9	Very high	93.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	115.3	171.9	-82.4	-103.9	0	0	0	109	V39 V41 V189 F190 I192 V195 F199 F337 K341 I344 L345	V39-F197 HydrophobicContact CB-CD1 3.95Å; V39-F197 HydrophobicContact CB-CE1 3.95Å; V39-F197 HydrophobicContact CB-CG 4.26Å; V39-F197 HydrophobicContact CB-CZ 4.25Å; V39-F197 HydrophobicContact CG1-CD1 3.72Å; V39-F197 HydrophobicContact CG1-CE1 3.54Å; V39-F197 HydrophobicContact CG1-CZ 4.2Å; V39-F197 HydrophobicContact CG2-CE1 4.41Å; V39-F197 HydrophobicContact CG2-CZ 4.27Å; V39-F197 CarbonylContact O-C 3.51Å; V39-F197 WeakPolarHBondContact O-CA 3.45Å; V41-F197 HydrophobicContact CG2-CD1 4.19Å; V189-F197 CarbonylContact C-O 3.59Å; V189-F197 VanDerWaalsContact CA-O 3.28Å; V189-F197 WeakPolarHBondContact CA-O 3.27Å; F190-F197 PolarHBondContact N-O 3.34Å; F190-F197 PolarHBondContact O-N 2.87Å; I192-F197 HydrophobicContact CB-CD2 3.8Å; I192-F197 HydrophobicContact CB-CE2 4.1Å; I192-F197 HydrophobicContact CD1-CB 4.01Å; I192-F197 HydrophobicContact CD1-CD2 3.9Å; I192-F197 HydrophobicContact CD1-CG 3.91Å; I192-F197 HydrophobicContact CG1-CB 4.43Å; I192-F197 HydrophobicContact CG1-CD2 3.99Å; I192-F197 HydrophobicContact CG1-CG 4.41Å; V195-F197 HydrophobicContact CB-CD2 4.32Å; V195-F197 HydrophobicContact CB-CE2 3.94Å; V195-F197 HydrophobicContact CG1-CD2 4.12Å; V195-F197 HydrophobicContact CG1-CE2 3.77Å; V195-F197 WeakPolarHBondContact O-CD2 2.91Å; V195-F197 PolarHBondContact O-N 3.22Å; F197-F199 HydrophobicContact CB-CD2 4.38Å; F197-F199 HydrophobicContact CB-CE2 3.71Å; F197-F199 HydrophobicContact CB-CZ 4.25Å; F197-F199 HydrophobicContact CD1-CZ 4.32Å; F197-F337 HydrophobicContact CD1-CZ 4.23Å; F197-F337 HydrophobicContact CE1-CZ 4.29Å; F197-K341 HydrophobicContact CE1-CG 4.46Å; F197-K341 HydrophobicContact CE2-CG 4.45Å; F197-K341 HydrophobicContact CZ-CG 3.8Å; F197-I344 HydrophobicContact CE1-CG2 4.34Å; F197-L345 HydrophobicContact CE2-CD2 4.29Å; F197-L345 HydrophobicContact CZ-CD1 4.5Å; F197-L345 HydrophobicContact CZ-CD2 3.91Å; F197-L345 HydrophobicContact CZ-CG 4.14Å
198	R	95.5	Very high	93	Very high	65 Å²	65	45.3 Å²	45.3	25%	0.245	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.1	170.7	179.7	-174.8	-56.9	-89.7	-8.3	108.8	E38 V39 T40 V41 E187 L188 V189 I200	E38-R198 HydrophobicContact CG-CB 4.31Å; E38-R198 IonicContact OE1-CZ 3.78Å; E38-R198 IonicContact OE1-NE 2.8Å; E38-R198 PolarHBondContact OE1-NE 2.89Å; E38-R198 IonicContact OE1-NH2 2.77Å; E38-R198 PolarHBondContact OE1-NH2 2.83Å; E38-R198 IonicContact OE2-NH2 2.84Å; E38-R198 PolarHBondContact OE2-NH2 3.28Å; V39-R198 PolarHBondContact O-N 3.14Å; T40-R198 CarbonylContact C-O 3.59Å; T40-R198 WeakPolarHBondContact CA-O 3.15Å; V41-R198 PolarHBondContact N-O 2.81Å; E187-R198 IonicContact OE2-CZ 3.3Å; E187-R198 IonicContact OE2-NH1 3.2Å; E187-R198 PolarHBondContact OE2-NH1 2.89Å; L188-R198 CarbonylContact O-C 3.54Å; L188-R198 WeakPolarHBondContact O-CA 3.41Å; V189-R198 HydrophobicContact CG2-CB 4.09Å; V189-R198 HydrophobicContact CG2-CG 4.12Å; R198-I200 HydrophobicContact CG-CG1 4.26Å
199	F	96.9	Very high	92.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.1	172.1	-65.5	-91.3	0	0	0	109.9	V41 L43 F54 L55 M58 E187 L188 F190 F197 F337	V41-F199 HydrophobicContact CB-CD1 3.78Å; V41-F199 HydrophobicContact CB-CE1 3.97Å; V41-F199 HydrophobicContact CG1-CD1 4.05Å; V41-F199 HydrophobicContact CG1-CE1 4.12Å; V41-F199 HydrophobicContact CG2-CD1 4.4Å; V41-F199 HydrophobicContact CG2-CE1 4.13Å; V41-F199 WeakPolarHBondContact O-CA 3.29Å; L43-F199 HydrophobicContact CD2-CD1 4.42Å; F54-F199 HydrophobicContact CE1-CD1 4.11Å; F54-F199 AromaticContact CE1-CE1 3.83Å; F54-F199 HydrophobicContact CE1-CE1 3.83Å; F54-F199 HydrophobicContact CZ-CE1 4.36Å; L55-F199 HydrophobicContact CD1-CB 3.49Å; L55-F199 VanDerWaalsContact CD1-CB 3.49Å; L55-F199 HydrophobicContact CD1-CG 4.11Å; M58-F199 HydrophobicContact CG-CD2 4.37Å; M58-F199 HydrophobicContact CG-CE1 4.21Å; M58-F199 HydrophobicContact CG-CE2 4.03Å; M58-F199 HydrophobicContact CG-CZ 3.93Å; M58-F199 HydrophobicContact SD-CE1 4.25Å; M58-F199 HydrophobicContact SD-CE2 4.19Å; M58-F199 HydrophobicContact SD-CZ 3.72Å; E187-F199 VanDerWaalsContact CA-O 3.31Å; E187-F199 WeakPolarHBondContact CA-O 3.39Å; L188-F199 PolarHBondContact N-O 3.43Å; L188-F199 PolarHBondContact O-N 3.35Å; F190-F199 AromaticContact CD2-CD2 3.65Å; F190-F199 HydrophobicContact CD2-CD2 3.65Å; F190-F199 AromaticContact CD2-CE2 3.78Å; F190-F199 HydrophobicContact CD2-CE2 3.78Å; F190-F199 AromaticContact CE2-CD2 3.96Å; F190-F199 HydrophobicContact CE2-CD2 3.96Å; F190-F199 HydrophobicContact CE2-CE2 4.37Å; F197-F199 HydrophobicContact CB-CD2 4.38Å; F197-F199 HydrophobicContact CB-CE2 3.71Å; F197-F199 HydrophobicContact CB-CZ 4.25Å; F197-F199 HydrophobicContact CD1-CZ 4.32Å; F199-F337 AromaticContact CE1-CE2 3.9Å; F199-F337 HydrophobicContact CE1-CE2 3.9Å; F199-F337 HydrophobicContact CE1-CZ 4.34Å; F199-F337 AromaticContact CZ-CE2 3.63Å; F199-F337 HydrophobicContact CZ-CE2 3.63Å; F199-F337 AromaticContact CZ-CZ 3.61Å; F199-F337 HydrophobicContact CZ-CZ 3.61Å
200	I	97.1	Very high	92.7	Very high	10 Å²	10	48.9 Å²	48.9	5%	0.051	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	113.7	178.1	-51.2	-178.3	0	0	0	108.1	T40 V41 L42 L43 I185 E187 R198 V202 C215	T40-I200 HydrophobicContact CG2-CD1 3.57Å; T40-I200 HydrophobicContact CG2-CG1 4.11Å; V41-I200 PolarHBondContact O-N 3.4Å; L42-I200 HydrophobicContact CD1-CB 3.79Å; L42-I200 HydrophobicContact CD1-CG2 3.77Å; L43-I200 WeakPolarHBondContact CB-O 3.31Å; L43-I200 PolarHBondContact N-O 2.89Å; I185-I200 HydrophobicContact CG2-CG2 3.68Å; E187-I200 HydrophobicContact CG-CG1 4.17Å; E187-I200 HydrophobicContact CG-CG2 4.37Å; R198-I200 HydrophobicContact CG-CG1 4.26Å; I200-V202 HydrophobicContact CG2-CG1 4.22Å; I200-C215 HydrophobicContact CG2-CB 4.16Å
201	D	96.9	Very high	92.6	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	135.3	173.3	-175.5	38.2	0	0	0	110.9	L43 K51 S52 L55 T186	L43-D201 HydrophobicContact CD1-CB 4.21Å; K51-D201 WeakPolarHBondContact CB-OD1 3.35Å; S52-D201 WeakPolarHBondContact CA-OD2 3.22Å; S52-D201 WeakPolarHBondContact CB-OD2 3.32Å; S52-D201 PolarHBondContact OG-OD2 3.19Å; L55-D201 HydrophobicContact CD2-CB 3.61Å; T186-D201 PolarHBondContact N-O 3.08Å; T186-D201 PolarHBondContact O-N 2.69Å
202	V	95.9	Very high	92.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.			trans	-134	152.1	-177	-63.1	0	0	0	0	111.3	L42 L43 L44 K51 I185 I200 G204 W212	L42-V202 HydrophobicContact CD1-CG1 4.49Å; L43-V202 WeakPolarHBondContact O-CG2 3.4Å; L44-V202 HydrophobicContact CD2-CG2 3.78Å; K51-V202 WeakPolarHBondContact CE-O 3.42Å; I185-V202 HydrophobicContact CB-CG1 4.47Å; I185-V202 HydrophobicContact CG1-CG1 4Å; I185-V202 HydrophobicContact CG2-CG1 4.16Å; I200-V202 HydrophobicContact CG2-CG1 4.22Å; V202-G204 PolarHBondContact O-N 3.19Å; V202-W212 VanDerWaalsContact CG2-CD1 3.45Å; V202-W212 HydrophobicContact CG2-CG 4.23Å
203	G	94.7	Very high	92.5	Very high	6 Å²	6	52.2 Å²	52.2	6%	0.062	26%	0.262	C	S	.	.			trans	-60.4	128	177.2	0	0	0	0	0	112.2	T182 Q208 W212	T182-G203 WeakPolarHBondContact O-CA 3.39Å; G203-Q208 WeakPolarHBondContact O-CB 3.4Å; G203-W212 PolarHBondContact O-NE1 2.88Å
204	G	92.7	Very high	92.6	Very high	6 Å²	6	51.8 Å²	51.8	6%	0.062	26%	0.26	C	S	.	.			trans	-90.1	-15.3	-178.3	0	0	0	0	0	115.9	G45 G47 V202 R209	G45-G204 WeakPolarHBondContact O-CA 3.3Å; G47-G204 VanDerWaalsContact N-C 3.33Å; G47-G204 PolarHBondContact N-O 3.36Å; V202-G204 PolarHBondContact O-N 3.19Å; G204-R209 PolarHBondContact O-NE 2.9Å
205	Q	92.8	Very high	92.9	Very high	52 Å²	52	46.4 Å²	46.4	24%	0.243	22%	0.223	C	C	.	.	S	Bend	trans	-64.9	150.4	177.7	-68.3	180	-51	0	0	110.5	S207 Q208 R209	Q205-S207 VanDerWaalsContact C-N 3.25Å; Q205-S207 PolarHBondContact O-N 3.28Å; Q205-S207 VanDerWaalsContact O-N 3.15Å; Q205-Q208 HydrophobicContact CB-CG 4.38Å; Q205-Q208 PolarHBondContact O-N 3.29Å; Q205-R209 WeakPolarHBondContact O-CG 3.42Å; Q205-R209 PolarHBondContact O-N 2.76Å
206	R	93.2	Very high	92.8	Very high	91 Å²	91	45.9 Å²	45.9	34%	0.343	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-51.6	-42.7	-175.6	-74.4	-177.3	173.9	165.5	-0.5	112.9	Q208 R209 L235 D238 E246	R206-Q208 PolarHBondContact O-N 3.39Å; R206-R209 PolarHBondContact O-N 2.92Å; R206-L235 VanDerWaalsContact CZ-CD1 3.44Å; R206-D238 IonicContact CZ-OD2 2.69Å; R206-D238 IonicContact NH1-OD2 3.31Å; R206-D238 PolarHBondContact NH1-OD2 2.97Å; R206-D238 IonicContact NH2-OD2 3.52Å; R206-D238 PolarHBondContact NH2-OD2 2.9Å; R206-E246 IonicContact CZ-OE1 2.74Å; R206-E246 IonicContact CZ-OE2 3.16Å; R206-E246 IonicContact NE-OE1 3.65Å; R206-E246 PolarHBondContact NE-OE1 3.35Å; R206-E246 IonicContact NE-OE2 2.75Å; R206-E246 IonicContact NH2-OE1 3.74Å; R206-E246 IonicContact NH2-OE2 3.58Å; R206-E246 PolarHBondContact NH2-OE2 3.4Å
207	S	91.9	Very high	92.4	Very high	91 Å²	91	53.9 Å²	53.9	64%	0.636	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-63.3	-20	179	65.3	0	0	0	0	114.5	Q205	Q205-S207 VanDerWaalsContact C-N 3.25Å; Q205-S207 PolarHBondContact O-N 3.28Å; Q205-S207 VanDerWaalsContact O-N 3.15Å
208	Q	93.6	Very high	91.8	Very high	30 Å²	30	57 Å²	57	14%	0.14	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-99.9	-11.8	-176.4	-54	-50.2	109.4	0	0	113.2	R183 G203 Q205 R206 Q210 K211	R183-Q208 PolarHBondContact O-NE2 2.9Å; G203-Q208 WeakPolarHBondContact O-CB 3.4Å; Q205-Q208 HydrophobicContact CB-CG 4.38Å; Q205-Q208 PolarHBondContact O-N 3.29Å; R206-Q208 PolarHBondContact O-N 3.39Å; Q208-Q210 PolarHBondContact O-N 3.49Å; Q208-K211 WeakPolarHBondContact O-CB 3.43Å; Q208-K211 PolarHBondContact O-N 2.95Å; Q208-K211 VanDerWaalsContact O-N 3.1Å
209	R	93.1	Very high	91.6	Very high	45 Å²	45	54.5 Å²	54.5	17%	0.17	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-67.6	-21.7	-172.6	-62	-171.2	-169.8	152.9	2.6	114.2	G204 Q205 R206 K211 W212 E246 V250	G204-R209 PolarHBondContact O-NE 2.9Å; Q205-R209 WeakPolarHBondContact O-CG 3.42Å; Q205-R209 PolarHBondContact O-N 2.76Å; R206-R209 PolarHBondContact O-N 2.92Å; R209-K211 PolarHBondContact O-N 3.06Å; R209-W212 HydrophobicContact CB-CD2 4.21Å; R209-W212 HydrophobicContact CG-CD2 4.33Å; R209-W212 HydrophobicContact CG-CH2 4.3Å; R209-W212 HydrophobicContact CG-CZ2 3.87Å; R209-W212 VanDerWaalsContact O-CB 3.25Å; R209-W212 WeakPolarHBondContact O-CB 3.39Å; R209-W212 VanDerWaalsContact O-CG 3.28Å; R209-W212 PolarHBondContact O-N 3.17Å; R209-E246 IonicContact CZ-OE1 3.48Å; R209-E246 IonicContact NH1-OE1 2.72Å; R209-E246 PolarHBondContact NH1-OE1 2.92Å; R209-E246 IonicContact NH2-OE1 2.67Å; R209-E246 PolarHBondContact NH2-OE1 3.01Å; R209-V250 VanDerWaalsContact CZ-CG2 3.41Å
210	Q	90.9	Very high	91.2	Very high	158 Å²	158	55.8 Å²	55.8	74%	0.738	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-57.9	-31.1	173.1	-173	176.7	0.7	0	0	111.9	Q208 W212 F213	Q208-Q210 PolarHBondContact O-N 3.49Å; Q210-W212 PolarHBondContact O-N 3.48Å; Q210-F213 WeakPolarHBondContact O-CD2 3.26Å
211	K	92	Very high	91	Very high	74 Å²	74	55.4 Å²	55.4	32%	0.322	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-72.1	-12.8	178.7	-56	-172.6	-179.4	-167.7	0	113.7	R183 I185 Q208 R209 F213 E214	R183-K211 PolarHBondContact O-NZ 3.44Å; I185-K211 HydrophobicContact CD1-CB 4.35Å; I185-K211 HydrophobicContact CG1-CB 4.4Å; Q208-K211 WeakPolarHBondContact O-CB 3.43Å; Q208-K211 PolarHBondContact O-N 2.95Å; Q208-K211 VanDerWaalsContact O-N 3.1Å; R209-K211 PolarHBondContact O-N 3.06Å; K211-F213 VanDerWaalsContact C-N 3.28Å; K211-F213 PolarHBondContact O-N 3.34Å; K211-E214 WeakPolarHBondContact O-CB 3.4Å; K211-E214 PolarHBondContact O-N 3.04Å
212	W	92.5	Very high	90.9	Very high	8 Å²	8	55.2 Å²	55.2	3%	0.03	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-64.2	-38.3	-179.7	-65.4	6.5	0	0	0	111	L44 V202 G203 R209 Q210 E214 C215 F216 V250 I254	L44-W212 HydrophobicContact CD2-CD2 3.74Å; L44-W212 HydrophobicContact CD2-CE3 3.92Å; L44-W212 HydrophobicContact CD2-CG 4.04Å; L44-W212 HydrophobicContact CD2-CZ2 4.4Å; L44-W212 HydrophobicContact CD2-CZ3 4.31Å; V202-W212 VanDerWaalsContact CG2-CD1 3.45Å; V202-W212 HydrophobicContact CG2-CG 4.23Å; G203-W212 PolarHBondContact O-NE1 2.88Å; R209-W212 HydrophobicContact CB-CD2 4.21Å; R209-W212 HydrophobicContact CG-CD2 4.33Å; R209-W212 HydrophobicContact CG-CH2 4.3Å; R209-W212 HydrophobicContact CG-CZ2 3.87Å; R209-W212 VanDerWaalsContact O-CB 3.25Å; R209-W212 WeakPolarHBondContact O-CB 3.39Å; R209-W212 VanDerWaalsContact O-CG 3.28Å; R209-W212 PolarHBondContact O-N 3.17Å; Q210-W212 PolarHBondContact O-N 3.48Å; W212-E214 PolarHBondContact O-N 2.99Å; W212-C215 WeakPolarHBondContact O-CB 3.46Å; W212-C215 PolarHBondContact O-N 2.86Å; W212-F216 HydrophobicContact CB-CE1 3.84Å; W212-F216 HydrophobicContact CB-CZ 3.87Å; W212-F216 WeakPolarHBondContact O-CD1 3.45Å; W212-F216 WeakPolarHBondContact O-CE1 3.41Å; W212-V250 HydrophobicContact CH2-CG1 3.51Å; W212-V250 HydrophobicContact CZ3-CG1 3.53Å; W212-I254 HydrophobicContact CE3-CD1 3.95Å; W212-I254 HydrophobicContact CE3-CG1 4.46Å; W212-I254 HydrophobicContact CZ3-CD1 3.97Å; W212-I254 HydrophobicContact CZ3-CG1 4.02Å
213	F	87.2	Confident	91	Very high	143 Å²	143	55.6 Å²	55.6	63%	0.627	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-61.1	-28.3	178.7	-63.1	-75.1	0	0	0	113	Q210 K211 C215 F216	Q210-F213 WeakPolarHBondContact O-CD2 3.26Å; K211-F213 VanDerWaalsContact C-N 3.28Å; K211-F213 PolarHBondContact O-N 3.34Å; F213-C215 PolarHBondContact O-N 3.35Å; F213-F216 AromaticContact CD1-CD2 3.94Å; F213-F216 HydrophobicContact CD1-CD2 3.94Å; F213-F216 AromaticContact CD1-CE2 3.49Å; F213-F216 HydrophobicContact CD1-CE2 3.49Å; F213-F216 VanDerWaalsContact CD1-CE2 3.49Å; F213-F216 HydrophobicContact CD1-CZ 4.34Å; F213-F216 AromaticContact CE1-CE2 3.85Å; F213-F216 HydrophobicContact CE1-CE2 3.85Å; F213-F216 HydrophobicContact CG-CE2 4.24Å
214	E	87.6	Confident	91.1	Very high	136 Å²	136	55.3 Å²	55.3	64%	0.636	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-67.9	-17.8	175.8	-58.7	170.2	-142.5	0	0	112.3	I185 K211 W212	I185-E214 HydrophobicContact CD1-CB 4.09Å; K211-E214 WeakPolarHBondContact O-CB 3.4Å; K211-E214 PolarHBondContact O-N 3.04Å; W212-E214 PolarHBondContact O-N 2.99Å
215	C	90.1	Very high	91.4	Very high	8 Å²	8	55 Å²	55	5%	0.054	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-107.1	3.9	-173.6	-55.5	0	0	0	0	113.8	L42 I185 I200 W212 F213 V219	L42-C215 HydrophobicContact CD1-CB 3.73Å; L42-C215 HydrophobicContact CD2-CB 4.35Å; I185-C215 VanDerWaalsContact CD1-SG 3.55Å; I200-C215 HydrophobicContact CG2-CB 4.16Å; W212-C215 WeakPolarHBondContact O-CB 3.46Å; W212-C215 PolarHBondContact O-N 2.86Å; F213-C215 PolarHBondContact O-N 3.35Å; C215-V219 WeakPolarHBondContact O-CG2 3.4Å
216	F	86.2	Confident	91.6	Very high	25 Å²	25	52.6 Å²	52.6	11%	0.11	27%	0.268	C	S	.	.			trans	-83.1	-17.2	-171.6	-69.9	-5.6	0	0	0	113.9	L42 L44 W212 F213 I254 F260	L42-F216 HydrophobicContact CD2-CD1 3.71Å; L42-F216 HydrophobicContact CD2-CE1 3.88Å; L44-F216 HydrophobicContact CD1-CE1 4.47Å; W212-F216 HydrophobicContact CB-CE1 3.84Å; W212-F216 HydrophobicContact CB-CZ 3.87Å; W212-F216 WeakPolarHBondContact O-CD1 3.45Å; W212-F216 WeakPolarHBondContact O-CE1 3.41Å; F213-F216 AromaticContact CD1-CD2 3.94Å; F213-F216 HydrophobicContact CD1-CD2 3.94Å; F213-F216 AromaticContact CD1-CE2 3.49Å; F213-F216 HydrophobicContact CD1-CE2 3.49Å; F213-F216 VanDerWaalsContact CD1-CE2 3.49Å; F213-F216 HydrophobicContact CD1-CZ 4.34Å; F213-F216 AromaticContact CE1-CE2 3.85Å; F213-F216 HydrophobicContact CE1-CE2 3.85Å; F213-F216 HydrophobicContact CG-CE2 4.24Å; F216-I254 HydrophobicContact CZ-CD1 4.44Å; F216-F260 HydrophobicContact CB-CE1 4.04Å; F216-F260 HydrophobicContact CB-CZ 4.36Å; F216-F260 AromaticContact CD1-CE1 3.87Å; F216-F260 HydrophobicContact CD1-CE1 3.87Å; F216-F260 AromaticContact CD1-CZ 3.53Å; F216-F260 HydrophobicContact CD1-CZ 3.53Å; F216-F260 AromaticContact CD2-CE1 3.96Å; F216-F260 HydrophobicContact CD2-CE1 3.96Å; F216-F260 HydrophobicContact CD2-CE2 4.46Å; F216-F260 AromaticContact CD2-CZ 3.47Å; F216-F260 HydrophobicContact CD2-CZ 3.47Å; F216-F260 VanDerWaalsContact CD2-CZ 3.47Å; F216-F260 HydrophobicContact CE1-CE1 4.31Å; F216-F260 HydrophobicContact CE1-CE2 4.43Å; F216-F260 AromaticContact CE1-CZ 3.53Å; F216-F260 HydrophobicContact CE1-CZ 3.53Å; F216-F260 HydrophobicContact CE2-CE1 4.4Å; F216-F260 HydrophobicContact CE2-CE2 4.13Å; F216-F260 AromaticContact CE2-CZ 3.47Å; F216-F260 HydrophobicContact CE2-CZ 3.47Å; F216-F260 VanDerWaalsContact CE2-CZ 3.47Å; F216-F260 AromaticContact CG-CE1 3.69Å; F216-F260 HydrophobicContact CG-CE1 3.69Å; F216-F260 AromaticContact CG-CZ 3.52Å; F216-F260 HydrophobicContact CG-CZ 3.52Å; F216-F260 HydrophobicContact CZ-CE2 4.12Å; F216-F260 AromaticContact CZ-CZ 3.51Å; F216-F260 HydrophobicContact CZ-CZ 3.51Å
217	E	84.5	Confident	91.9	Very high	180 Å²	180	48.2 Å²	48.2	84%	0.841	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	137.1	176.1	-66.6	-171.1	173.8	0	0	111.7	V219	E217-V219 PolarHBondContact O-N 3.19Å
218	G	83.3	Confident	92.2	Very high	66 Å²	66	43.9 Å²	43.9	68%	0.68	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	70	12	173.8	0	0	0	0	0	115.5	T40	T40-G218 VanDerWaalsContact CB-O 3.29Å; T40-G218 WeakPolarHBondContact CB-O 3.25Å; T40-G218 PolarHBondContact OG1-O 2.65Å
219	V	90.3	Very high	92.3	Very high	12 Å²	12	42.6 Å²	42.6	7%	0.073	22%	0.215	C	C	.	.			trans	-73.8	130.1	175.7	178.6	0	0	0	0	110.4	T40 L42 C215 E217 S221 I222 M263	T40-V219 HydrophobicContact CG2-CG2 4.38Å; L42-V219 HydrophobicContact CB-CG1 3.75Å; L42-V219 HydrophobicContact CB-CG2 3.98Å; L42-V219 HydrophobicContact CD2-CG2 4.12Å; C215-V219 WeakPolarHBondContact O-CG2 3.4Å; E217-V219 PolarHBondContact O-N 3.19Å; V219-S221 VanDerWaalsContact CG1-O 3.27Å; V219-S221 WeakPolarHBondContact CG1-O 3.48Å; V219-I222 HydrophobicContact CG1-CG1 4.25Å; V219-M263 HydrophobicContact CB-CE 3.9Å; V219-M263 HydrophobicContact CB-SD 3.82Å; V219-M263 HydrophobicContact CG1-CE 4.48Å; V219-M263 HydrophobicContact CG1-SD 3.73Å; V219-M263 WeakPolarHBondContact O-CE 3.25Å
220	T	89.6	Confident	92.5	Very high	27 Å²	27	40.5 Å²	40.5	17%	0.166	21%	0.207	C	C	.	.			trans	-87.4	-41.5	174.4	-45.6	0	0	0	0	110.9	V39 T40 S264 N348	V39-T220 HydrophobicContact CG1-CG2 4.3Å; T40-T220 PolarHBondContact N-OG1 2.92Å; T40-T220 WeakPolarHBondContact O-CA 3.25Å; T40-T220 WeakPolarHBondContact O-CB 3.01Å; T40-T220 PolarHBondContact O-N 3.46Å; T220-S264 PolarHBondContact O-N 2.9Å; T220-N348 HydrophobicContact CG2-CB 3.92Å
221	S	92.7	Very high	92.8	Very high	1 Å²	1	33 Å²	33	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	146.8	-173.3	-55.2	0	0	0	0	111.9	T40 V41 L42 V219 S264 I344	T40-S221 PolarHBondContact O-N 2.94Å; T40-S221 VanDerWaalsContact O-N 3.11Å; V41-S221 WeakPolarHBondContact CA-O 3.36Å; L42-S221 PolarHBondContact N-O 3.41Å; V219-S221 VanDerWaalsContact CG1-O 3.27Å; V219-S221 WeakPolarHBondContact CG1-O 3.48Å; S221-S264 CarbonylContact C-O 3.55Å; S221-S264 VanDerWaalsContact CA-O 3.29Å; S221-S264 WeakPolarHBondContact CA-O 3.32Å; S221-S264 WeakPolarHBondContact OG-CB 3.41Å; S221-I344 WeakPolarHBondContact OG-CG1 3.43Å; S221-I344 WeakPolarHBondContact OG-CG2 3.28Å
222	I	94.7	Very high	93.1	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124.8	172.3	-63.3	174.5	0	0	0	108.7	L44 V219 F224 I254 F260 M263 S264 F265 I266	L44-I222 HydrophobicContact CB-CG2 4.38Å; L44-I222 HydrophobicContact CD1-CD1 4.43Å; L44-I222 HydrophobicContact CD1-CG2 3.91Å; L44-I222 HydrophobicContact CG-CG2 4.27Å; V219-I222 HydrophobicContact CG1-CG1 4.25Å; I222-F224 HydrophobicContact CG2-CB 4.45Å; I222-I254 HydrophobicContact CD1-CG2 4.1Å; I222-F260 HydrophobicContact CD1-CB 4Å; I222-F260 HydrophobicContact CD1-CD1 3.69Å; I222-F260 HydrophobicContact CD1-CD2 3.65Å; I222-F260 HydrophobicContact CD1-CE1 3.96Å; I222-F260 HydrophobicContact CD1-CE2 3.96Å; I222-F260 HydrophobicContact CD1-CG 3.5Å; I222-F260 VanDerWaalsContact CD1-CG 3.5Å; I222-F260 HydrophobicContact CD1-CZ 4.07Å; I222-M263 HydrophobicContact CD1-SD 4.32Å; I222-M263 HydrophobicContact CG1-SD 4.36Å; I222-S264 PolarHBondContact N-O 3.1Å; I222-F265 HydrophobicContact CB-CD2 3.93Å; I222-F265 HydrophobicContact CB-CE2 3.95Å; I222-F265 HydrophobicContact CB-CG 4.44Å; I222-F265 HydrophobicContact CB-CZ 4.48Å; I222-F265 HydrophobicContact CD1-CD2 4.09Å; I222-F265 HydrophobicContact CD1-CE2 3.87Å; I222-F265 HydrophobicContact CG2-CD2 4.1Å; I222-F265 HydrophobicContact CG2-CE1 4.27Å; I222-F265 HydrophobicContact CG2-CE2 3.64Å; I222-F265 HydrophobicContact CG2-CZ 3.74Å; I222-I266 PolarHBondContact O-N 3.02Å
223	L	96.7	Very high	93.3	Very high	7 Å²	7	30.2 Å²	30.2	4%	0.037	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	108.3	166.9	-167.9	66.9	0	0	0	108.4	V41 L42 L43 L44 F54 L225 I266 F268	V41-L223 HydrophobicContact CG1-CB 4.04Å; L42-L223 PolarHBondContact O-N 3.31Å; L43-L223 WeakPolarHBondContact CA-O 3.22Å; L43-L223 HydrophobicContact CD2-CB 3.75Å; L43-L223 HydrophobicContact CD2-CD2 3.66Å; L43-L223 HydrophobicContact CD2-CG 4.23Å; L44-L223 PolarHBondContact N-O 3.18Å; F54-L223 HydrophobicContact CD1-CD2 3.88Å; F54-L223 HydrophobicContact CD2-CD2 4.34Å; F54-L223 HydrophobicContact CE1-CD2 3.55Å; F54-L223 HydrophobicContact CE2-CD2 4.04Å; F54-L223 HydrophobicContact CG-CD2 4.26Å; F54-L223 HydrophobicContact CZ-CD2 3.64Å; L223-L225 HydrophobicContact CB-CD1 4.43Å; L223-L225 HydrophobicContact CD2-CD1 4Å; L223-L225 HydrophobicContact CG-CD1 3.82Å; L223-I266 HydrophobicContact CD1-CB 3.81Å; L223-I266 HydrophobicContact CD1-CG2 3.88Å; L223-F268 HydrophobicContact CD1-CD1 3.72Å; L223-F268 HydrophobicContact CD1-CD2 4.1Å; L223-F268 HydrophobicContact CD1-CE1 3.53Å; L223-F268 HydrophobicContact CD1-CE2 3.92Å; L223-F268 HydrophobicContact CD1-CG 4.01Å; L223-F268 HydrophobicContact CD1-CZ 3.6Å; L223-F268 HydrophobicContact CD2-CD2 4.02Å; L223-F268 HydrophobicContact CD2-CE2 3.7Å; L223-F268 HydrophobicContact CD2-CZ 4.09Å; L223-F268 HydrophobicContact CG-CD2 4.21Å; L223-F268 HydrophobicContact CG-CE2 4.21Å; L223-F268 HydrophobicContact CG-CG 4.4Å; L223-F268 HydrophobicContact CG-CZ 4.37Å
224	F	97.7	Very high	93.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	116.8	-178	-163.4	-80.6	0	0	0	110.2	L44 I222 I226 V250 Y251 I254 F265 I266 L267 F268	L44-F224 HydrophobicContact CB-CD2 3.67Å; L44-F224 HydrophobicContact CB-CE2 4.08Å; L44-F224 CarbonylContact O-C 3.54Å; L44-F224 WeakPolarHBondContact O-CA 3.4Å; I222-F224 HydrophobicContact CG2-CB 4.45Å; F224-I226 HydrophobicContact CD1-CG2 3.84Å; F224-I226 HydrophobicContact CE1-CG2 3.69Å; F224-V250 HydrophobicContact CE2-CG1 3.97Å; F224-V250 HydrophobicContact CZ-CB 4.22Å; F224-V250 HydrophobicContact CZ-CG1 3.79Å; F224-Y251 HydrophobicContact CB-CD2 4.42Å; F224-Y251 AromaticContact CD1-CD2 3.72Å; F224-Y251 HydrophobicContact CD1-CD2 3.72Å; F224-Y251 HydrophobicContact CD2-CD2 4.34Å; F224-Y251 AromaticContact CE1-CD2 3.99Å; F224-Y251 HydrophobicContact CE1-CD2 3.99Å; F224-Y251 HydrophobicContact CE1-CG 4.34Å; F224-Y251 AromaticContact CG-CD2 3.91Å; F224-Y251 HydrophobicContact CG-CD2 3.91Å; F224-Y251 HydrophobicContact CZ-CD2 4.41Å; F224-I254 HydrophobicContact CE2-CB 4.47Å; F224-I254 HydrophobicContact CE2-CG1 4.22Å; F224-F265 HydrophobicContact CB-CD1 4.43Å; F224-F265 HydrophobicContact CB-CE1 3.4Å; F224-F265 HydrophobicContact CB-CZ 3.8Å; F224-F265 HydrophobicContact CD2-CE1 4.32Å; F224-F265 AromaticContact CD2-CZ 3.91Å; F224-F265 HydrophobicContact CD2-CZ 3.91Å; F224-F265 HydrophobicContact CG-CE1 4.06Å; F224-F265 HydrophobicContact CG-CZ 4.12Å; F224-I266 PolarHBondContact N-O 3.44Å; F224-L267 HydrophobicContact CB-CD1 4.49Å; F224-L267 HydrophobicContact CD1-CD1 3.96Å; F224-F268 PolarHBondContact O-N 3.4Å
225	L	98.5	Very high	94	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	130.9	-178.1	-72.8	82.8	0	0	0	110.7	L44 G45 S49 K51 F54 L223 F268	L44-L225 PolarHBondContact O-N 3.26Å; G45-L225 WeakPolarHBondContact CA-O 3.31Å; S49-L225 WeakPolarHBondContact CB-O 3.19Å; S49-L225 PolarHBondContact OG-O 2.94Å; K51-L225 HydrophobicContact CG-CB 4.29Å; K51-L225 HydrophobicContact CG-CD1 4.12Å; F54-L225 HydrophobicContact CB-CD2 4.13Å; L223-L225 HydrophobicContact CB-CD1 4.43Å; L223-L225 HydrophobicContact CD2-CD1 4Å; L223-L225 HydrophobicContact CG-CD1 3.82Å; L225-F268 HydrophobicContact CD2-CD2 4.43Å; L225-F268 HydrophobicContact CG-CB 3.88Å; L225-F268 HydrophobicContact CG-CD2 4.23Å; L225-F268 HydrophobicContact CG-CG 4.49Å
226	I	98.3	Very high	94.1	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	147.1	170	68.9	169	0	0	0	109.8	F224 L267 F268 L269 N270 F309	F224-I226 HydrophobicContact CD1-CG2 3.84Å; F224-I226 HydrophobicContact CE1-CG2 3.69Å; I226-L267 HydrophobicContact CG1-CD1 4.48Å; I226-L267 HydrophobicContact CG2-CD1 3.92Å; I226-F268 WeakPolarHBondContact CG1-O 3.1Å; I226-F268 PolarHBondContact N-O 3.41Å; I226-L269 HydrophobicContact CD1-CB 4.34Å; I226-L269 HydrophobicContact CD1-CD2 3.77Å; I226-L269 HydrophobicContact CD1-CG 3.74Å; I226-L269 HydrophobicContact CG1-CB 4.32Å; I226-L269 HydrophobicContact CG1-CG 4.12Å; I226-N270 WeakPolarHBondContact O-CA 3.03Å; I226-N270 VanDerWaalsContact O-CB 3.31Å; I226-N270 WeakPolarHBondContact O-CB 3.45Å; I226-N270 PolarHBondContact O-N 2.88Å; I226-F309 HydrophobicContact CB-CZ 4.26Å; I226-F309 HydrophobicContact CD1-CD2 3.75Å; I226-F309 HydrophobicContact CD1-CE1 4.22Å; I226-F309 HydrophobicContact CD1-CE2 3.25Å; I226-F309 HydrophobicContact CD1-CG 4.47Å; I226-F309 HydrophobicContact CD1-CZ 3.52Å; I226-F309 HydrophobicContact CG1-CZ 4.49Å; I226-F309 HydrophobicContact CG2-CD1 4.44Å; I226-F309 HydrophobicContact CG2-CE1 3.68Å; I226-F309 HydrophobicContact CG2-CZ 3.78Å
227	A	98.1	Very high	94.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	108	170.2	0	0	0	0	0	109.3	N229 E230 K271	A227-N229 VanDerWaalsContact C-N 3.26Å; A227-N229 PolarHBondContact O-N 3.15Å; A227-E230 HydrophobicContact CB-CB 4.46Å; A227-E230 HydrophobicContact CB-CG 3.54Å; A227-E230 PolarHBondContact O-N 2.95Å; A227-K271 HydrophobicContact CB-CD 3.77Å; A227-K271 HydrophobicContact CB-CG 4.49Å
228	S	98	Very high	94.7	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-22.5	-171	-46.6	0	0	0	0	113	L269 N270	S228-L269 WeakPolarHBondContact OG-CA 3.44Å; S228-L269 WeakPolarHBondContact OG-CB 3.27Å; S228-N270 VanDerWaalsContact CB-O 3.3Å; S228-N270 WeakPolarHBondContact CB-O 3.42Å; S228-N270 PolarHBondContact N-O 3.11Å; S228-N270 PolarHBondContact OG-N 3.12Å; S228-N270 PolarHBondContact OG-O 3.16Å
229	N	97.3	Very high	95.1	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.011	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-5.7	-179.8	71.9	-53.2	0	0	0	113.7	D151 A227 Y231 K271 L274 L275 K278	D151-N229 PolarHBondContact OD1-ND2 3.43Å; A227-N229 VanDerWaalsContact C-N 3.26Å; A227-N229 PolarHBondContact O-N 3.15Å; N229-Y231 VanDerWaalsContact C-N 3.28Å; N229-Y231 PolarHBondContact O-N 3.05Å; N229-K271 WeakPolarHBondContact OD1-CB 3.39Å; N229-K271 WeakPolarHBondContact OD1-CD 3.39Å; N229-L274 HydrophobicContact CB-CB 3.77Å; N229-L275 HydrophobicContact CB-CB 4.42Å; N229-K278 HydrophobicContact CB-CD 4.47Å; N229-K278 WeakPolarHBondContact O-CD 3.47Å; N229-K278 WeakPolarHBondContact O-CE 3.38Å; N229-K278 PolarHBondContact O-NZ 2.91Å
230	E	97.1	Very high	95.3	Very high	2 Å²	2	34 Å²	34	1%	0.009	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-89.6	15.3	-172	-58.3	-173.3	154	0	0	113.9	A227 D232 Q233 R243 K271	A227-E230 HydrophobicContact CB-CB 4.46Å; A227-E230 HydrophobicContact CB-CG 3.54Å; A227-E230 PolarHBondContact O-N 2.95Å; E230-D232 PolarHBondContact O-N 3.38Å; E230-Q233 PolarHBondContact O-N 3.05Å; E230-R243 HydrophobicContact CB-CB 3.73Å; E230-R243 HydrophobicContact CB-CG 4.45Å; E230-R243 IonicContact OE1-NH1 3.14Å; E230-R243 PolarHBondContact OE1-NH1 2.9Å; E230-R243 WeakPolarHBondContact OE2-CD 3.4Å; E230-R243 IonicContact OE2-NH1 3.73Å; E230-K271 IonicContact OE1-NZ 3.88Å; E230-K271 PolarHBondContact OE1-NZ 3.02Å
231	Y	97.5	Very high	95.7	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-62.9	-21.9	-177.9	62.7	-99.8	0	0	0	113.6	N229 N242 L275 K278 S282 I284 Y287	N229-Y231 VanDerWaalsContact C-N 3.28Å; N229-Y231 PolarHBondContact O-N 3.05Å; Y231-N242 PolarHBondContact O-ND2 3.46Å; Y231-L275 HydrophobicContact CD1-CD1 4.07Å; Y231-L275 HydrophobicContact CE1-CD1 3.58Å; Y231-K278 HydrophobicContact CE1-CD 3.76Å; Y231-K278 HydrophobicContact CE1-CG 4.16Å; Y231-K278 WeakPolarHBondContact OH-CG 3.49Å; Y231-K278 PolarHBondContact OH-O 3.43Å; Y231-S282 PolarHBondContact OH-O 3.34Å; Y231-I284 HydrophobicContact CD1-CD1 4.37Å; Y231-I284 HydrophobicContact CD2-CB 3.96Å; Y231-I284 HydrophobicContact CD2-CD1 4.34Å; Y231-I284 HydrophobicContact CD2-CG1 3.81Å; Y231-I284 HydrophobicContact CE2-CB 3.94Å; Y231-I284 HydrophobicContact CE2-CG1 4.31Å; Y231-I284 HydrophobicContact CG-CB 4.5Å; Y231-I284 HydrophobicContact CG-CD1 4.04Å; Y231-I284 HydrophobicContact CG-CG1 4Å; Y231-Y287 HydrophobicContact CD2-CD2 4.18Å; Y231-Y287 WeakPolarHBondContact O-CB 3.27Å
232	D	96.8	Very high	95.9	Very high	10 Å²	10	36.2 Å²	36.2	5%	0.053	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-107.5	16.7	-179.4	65.1	-10.7	0	0	0	113.1	E230 K278 S282 Y287	E230-D232 PolarHBondContact O-N 3.38Å; D232-K278 IonicContact OD1-NZ 3.14Å; D232-K278 PolarHBondContact OD1-NZ 3.2Å; D232-K278 WeakPolarHBondContact OD2-CD 3.49Å; D232-K278 IonicContact OD2-NZ 3.47Å; D232-S282 VanDerWaalsContact CB-OG 3.27Å; D232-S282 WeakPolarHBondContact CB-OG 3.35Å; D232-S282 VanDerWaalsContact OD2-CB 3.22Å; D232-S282 WeakPolarHBondContact OD2-CB 3.36Å; D232-S282 PolarHBondContact OD2-OG 2.78Å; D232-Y287 HydrophobicContact CB-CD1 4.5Å; D232-Y287 HydrophobicContact CB-CD2 3.91Å; D232-Y287 HydrophobicContact CB-CE1 4.02Å; D232-Y287 HydrophobicContact CB-CE2 3.35Å; D232-Y287 HydrophobicContact CB-CG 4.45Å; D232-Y287 VanDerWaalsContact CB-CZ 3.41Å
233	Q	96.9	Very high	96	Very high	12 Å²	12	37 Å²	37	6%	0.056	17%	0.173	C	C	.	.			trans	-122.4	151.8	-176.7	-73.3	174.3	-31.4	0	0	111.8	E230 N242 R243	E230-Q233 PolarHBondContact O-N 3.05Å; Q233-N242 WeakPolarHBondContact O-CA 3.46Å; Q233-R243 HydrophobicContact CB-CG 4.07Å; Q233-R243 PolarHBondContact O-N 3.47Å
234	V	96.5	Very high	96.1	Very high	52 Å²	52	36.7 Å²	36.7	32%	0.315	17%	0.172	S	C	.	.	B	Isolated β-bridge	trans	-104.9	157.3	171.8	-62.3	0	0	0	0	111.6	Q148 T241 R243	Q148-V234 PolarHBondContact NE2-O 3.27Å; V234-T241 CarbonylContact C-O 3.5Å; V234-T241 WeakPolarHBondContact CA-O 3.5Å; V234-R243 VanDerWaalsContact C-CG 3.5Å; V234-R243 PolarHBondContact O-NE 2.9Å; V234-R243 VanDerWaalsContact O-NE 3.08Å
235	L	94.3	Very high	96.1	Very high	11 Å²	11	40.1 Å²	40.1	6%	0.058	19%	0.189	C	C	.	.			trans	-61.2	142.8	175.6	-68.7	177	0	0	0	111.4	R206 E237 R239 T241 R243 E246	R206-L235 VanDerWaalsContact CZ-CD1 3.44Å; L235-E237 PolarHBondContact O-N 3.39Å; L235-R239 WeakPolarHBondContact O-CA 3.47Å; L235-R239 PolarHBondContact O-N 2.87Å; L235-T241 HydrophobicContact CD1-CG2 3.97Å; L235-T241 PolarHBondContact N-O 3.4Å; L235-R243 HydrophobicContact CD2-CG 4.07Å; L235-E246 HydrophobicContact CD1-CB 3.91Å; L235-E246 HydrophobicContact CD1-CG 3.72Å; L235-E246 HydrophobicContact CD2-CB 4.13Å; L235-E246 HydrophobicContact CD2-CG 3.97Å; L235-E246 HydrophobicContact CG-CB 4.26Å; L235-E246 HydrophobicContact CG-CG 4.34Å
236	L	91.4	Very high	96	Very high	74 Å²	74	40.9 Å²	40.9	39%	0.387	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-33.7	171.6	177.8	64.1	0	0	0	110.9	Q148 D238	Q148-L236 HydrophobicContact CB-CD1 4Å; Q148-L236 HydrophobicContact CG-CD1 3.65Å; L236-D238 PolarHBondContact O-N 3.34Å
237	E	90.2	Very high	96	Very high	85 Å²	85	40.9 Å²	40.9	40%	0.397	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-35.3	-173.3	-66.8	91	151.9	0	0	113.8	L235	L235-E237 PolarHBondContact O-N 3.39Å
238	D	92.8	Very high	96	Very high	56 Å²	56	43.7 Å²	43.7	30%	0.299	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-7.8	-178.9	65.5	28.2	0	0	0	114.7	R206 L236 K240 T241	R206-D238 IonicContact CZ-OD2 2.69Å; R206-D238 IonicContact NH1-OD2 3.31Å; R206-D238 PolarHBondContact NH1-OD2 2.97Å; R206-D238 IonicContact NH2-OD2 3.52Å; R206-D238 PolarHBondContact NH2-OD2 2.9Å; L236-D238 PolarHBondContact O-N 3.34Å; D238-K240 PolarHBondContact O-N 3.16Å; D238-K240 PolarHBondContact OD1-N 3.25Å; D238-T241 WeakPolarHBondContact OD1-CB 3.37Å; D238-T241 PolarHBondContact OD1-N 3Å; D238-T241 PolarHBondContact OD1-OG1 2.99Å; D238-T241 WeakPolarHBondContact OD2-CB 3.43Å; D238-T241 PolarHBondContact OD2-OG1 2.98Å
239	R	91.5	Very high	96	Very high	194 Å²	194	45.9 Å²	45.9	73%	0.732	22%	0.221	S	C	*	.	S	Bend	trans	52.6	23.5	-178.9	-55.8	-176	179.6	-171.9	-0.8	114.3	L235	L235-R239 WeakPolarHBondContact O-CA 3.47Å; L235-R239 PolarHBondContact O-N 2.87Å
240	K	95.4	Very high	95.9	Very high	178 Å²	178	46.3 Å²	46.3	77%	0.774	22%	0.224	S	C	*	.	S	Bend	trans	-134.7	-44.1	-174	-177.8	-179.7	177.2	-178.4	0	112.2	D238	D238-K240 PolarHBondContact O-N 3.16Å; D238-K240 PolarHBondContact OD1-N 3.25Å
241	T	96.5	Very high	95.9	Very high	45 Å²	45	46.3 Å²	46.3	28%	0.276	22%	0.223	S	C	.	.	S	Bend	trans	-77.9	127.6	-174.2	-58.8	0	0	0	0	109.8	V234 L235 D238 R243 E246	V234-T241 CarbonylContact C-O 3.5Å; V234-T241 WeakPolarHBondContact CA-O 3.5Å; L235-T241 HydrophobicContact CD1-CG2 3.97Å; L235-T241 PolarHBondContact N-O 3.4Å; D238-T241 WeakPolarHBondContact OD1-CB 3.37Å; D238-T241 PolarHBondContact OD1-N 3Å; D238-T241 PolarHBondContact OD1-OG1 2.99Å; D238-T241 WeakPolarHBondContact OD2-CB 3.43Å; D238-T241 PolarHBondContact OD2-OG1 2.98Å; T241-R243 PolarHBondContact O-N 2.87Å; T241-E246 HydrophobicContact CG2-CB 4.1Å
242	N	97.5	Very high	95.9	Very high	30 Å²	30	50.2 Å²	50.2	16%	0.16	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-60.1	130.9	173.7	178.3	-78.8	0	0	0	110.9	Y231 Q233 L244 M245 E246	Y231-N242 PolarHBondContact O-ND2 3.46Å; Q233-N242 WeakPolarHBondContact O-CA 3.46Å; N242-L244 PolarHBondContact O-N 3.39Å; N242-L244 WeakPolarHBondContact OD1-CB 3.1Å; N242-L244 PolarHBondContact OD1-N 3.1Å; N242-M245 HydrophobicContact CB-CB 4.09Å; N242-M245 HydrophobicContact CB-CG 4.15Å; N242-M245 PolarHBondContact O-N 3.41Å; N242-M245 PolarHBondContact OD1-N 2.95Å; N242-E246 PolarHBondContact O-N 2.97Å
243	R	97.4	Very high	95.8	Very high	18 Å²	18	54.2 Å²	54.2	7%	0.068	27%	0.267	C	S	.	.	H	α-helix	trans	-64	-37.1	-173.7	-70.1	-167.7	172.1	-152.1	-2.8	113.3	E48 E230 Q233 V234 L235 T241 S247	E48-R243 IonicContact OE2-CZ 3.42Å; E48-R243 IonicContact OE2-NH1 2.87Å; E48-R243 PolarHBondContact OE2-NH1 3.06Å; E48-R243 IonicContact OE2-NH2 2.6Å; E48-R243 PolarHBondContact OE2-NH2 2.94Å; E48-R243 VanDerWaalsContact OE2-NH2 3.14Å; E230-R243 HydrophobicContact CB-CB 3.73Å; E230-R243 HydrophobicContact CB-CG 4.45Å; E230-R243 IonicContact OE1-NH1 3.14Å; E230-R243 PolarHBondContact OE1-NH1 2.9Å; E230-R243 WeakPolarHBondContact OE2-CD 3.4Å; E230-R243 IonicContact OE2-NH1 3.73Å; Q233-R243 HydrophobicContact CB-CG 4.07Å; Q233-R243 PolarHBondContact O-N 3.47Å; V234-R243 VanDerWaalsContact C-CG 3.5Å; V234-R243 PolarHBondContact O-NE 2.9Å; V234-R243 VanDerWaalsContact O-NE 3.08Å; L235-R243 HydrophobicContact CD2-CG 4.07Å; T241-R243 PolarHBondContact O-N 2.87Å; R243-S247 WeakPolarHBondContact O-CB 3.35Å; R243-S247 PolarHBondContact O-N 3.26Å; R243-S247 PolarHBondContact O-OG 3.15Å
244	L	97.7	Very high	95.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-70.3	-39.7	177.4	-173	67.5	0	0	0	111	N242 S247 R248 F288 L305 L308 F309	N242-L244 PolarHBondContact O-N 3.39Å; N242-L244 WeakPolarHBondContact OD1-CB 3.1Å; N242-L244 PolarHBondContact OD1-N 3.1Å; L244-S247 WeakPolarHBondContact O-CB 3.44Å; L244-S247 PolarHBondContact O-N 3.49Å; L244-R248 PolarHBondContact O-N 2.96Å; L244-F288 HydrophobicContact CB-CZ 4.16Å; L244-F288 HydrophobicContact CD2-CE1 4.46Å; L244-F288 HydrophobicContact CD2-CE2 3.99Å; L244-F288 HydrophobicContact CD2-CZ 3.7Å; L244-F288 HydrophobicContact CG-CZ 4.28Å; L244-L305 HydrophobicContact CD1-CD2 4.26Å; L244-L305 HydrophobicContact CD2-CD2 3.26Å; L244-L305 HydrophobicContact CG-CD2 4.36Å; L244-L308 HydrophobicContact CD2-CD2 3.79Å; L244-L308 HydrophobicContact CG-CD2 4.04Å; L244-F309 HydrophobicContact CD1-CE2 3.86Å; L244-F309 HydrophobicContact CD1-CZ 3.89Å; L244-F309 HydrophobicContact CG-CE2 4.5Å
245	M	97.8	Very high	95.5	Very high	72 Å²	72	53.1 Å²	53.1	36%	0.355	26%	0.26	S	S	.	.	H	α-helix	trans	-66.1	-38.4	174.1	-72.6	-59.2	-65.7	0	0	113.1	N242 S247 R248 A249 F288 L308	N242-M245 HydrophobicContact CB-CB 4.09Å; N242-M245 HydrophobicContact CB-CG 4.15Å; N242-M245 PolarHBondContact O-N 3.41Å; N242-M245 PolarHBondContact OD1-N 2.95Å; M245-S247 VanDerWaalsContact C-N 3.32Å; M245-R248 PolarHBondContact O-N 3.11Å; M245-A249 PolarHBondContact O-N 3.08Å; M245-F288 HydrophobicContact CG-CE1 3.92Å; M245-F288 HydrophobicContact CG-CZ 4.06Å; M245-F288 HydrophobicContact SD-CE1 3.65Å; M245-F288 HydrophobicContact SD-CZ 4.32Å; M245-L308 HydrophobicContact SD-CD1 4.48Å
246	E	97.4	Very high	95.5	Very high	17 Å²	17	55.2 Å²	55.2	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-58.8	-47	169.7	175.2	72	179.6	0	0	110.6	R206 R209 L235 T241 N242 R248 A249 V250	R206-E246 IonicContact CZ-OE1 2.74Å; R206-E246 IonicContact CZ-OE2 3.16Å; R206-E246 IonicContact NE-OE1 3.65Å; R206-E246 PolarHBondContact NE-OE1 3.35Å; R206-E246 IonicContact NE-OE2 2.75Å; R206-E246 IonicContact NH2-OE1 3.74Å; R206-E246 IonicContact NH2-OE2 3.58Å; R206-E246 PolarHBondContact NH2-OE2 3.4Å; R209-E246 IonicContact CZ-OE1 3.48Å; R209-E246 IonicContact NH1-OE1 2.72Å; R209-E246 PolarHBondContact NH1-OE1 2.92Å; R209-E246 IonicContact NH2-OE1 2.67Å; R209-E246 PolarHBondContact NH2-OE1 3.01Å; L235-E246 HydrophobicContact CD1-CB 3.91Å; L235-E246 HydrophobicContact CD1-CG 3.72Å; L235-E246 HydrophobicContact CD2-CB 4.13Å; L235-E246 HydrophobicContact CD2-CG 3.97Å; L235-E246 HydrophobicContact CG-CB 4.26Å; L235-E246 HydrophobicContact CG-CG 4.34Å; T241-E246 HydrophobicContact CG2-CB 4.1Å; N242-E246 PolarHBondContact O-N 2.97Å; E246-R248 VanDerWaalsContact C-N 3.28Å; E246-R248 PolarHBondContact O-N 3.42Å; E246-A249 PolarHBondContact O-N 3.49Å; E246-V250 VanDerWaalsContact O-CG2 3.27Å; E246-V250 WeakPolarHBondContact O-CG2 3.5Å; E246-V250 PolarHBondContact O-N 3.45Å
247	S	98	Very high	95.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.4	-38.6	179.6	-58.8	0	0	0	0	111.6	S46 R243 L244 M245 Y251	S46-S247 WeakPolarHBondContact CB-OG 3.41Å; S46-S247 PolarHBondContact OG-OG 3.3Å; R243-S247 WeakPolarHBondContact O-CB 3.35Å; R243-S247 PolarHBondContact O-N 3.26Å; R243-S247 PolarHBondContact O-OG 3.15Å; L244-S247 WeakPolarHBondContact O-CB 3.44Å; L244-S247 PolarHBondContact O-N 3.49Å; M245-S247 VanDerWaalsContact C-N 3.32Å; S247-Y251 WeakPolarHBondContact O-CB 3.31Å; S247-Y251 PolarHBondContact O-N 3.42Å
248	R	98	Very high	95.3	Very high	59 Å²	59	60.7 Å²	60.7	22%	0.223	29%	0.287	C	S	.	.	H	α-helix	trans	-63.7	-47.3	173.5	-174.9	-168.5	-177	-117.3	6.7	112.5	L244 M245 E246 V250 Y251 E252 L308 F309 V312	L244-R248 PolarHBondContact O-N 2.96Å; M245-R248 PolarHBondContact O-N 3.11Å; E246-R248 VanDerWaalsContact C-N 3.28Å; E246-R248 PolarHBondContact O-N 3.42Å; R248-V250 VanDerWaalsContact C-N 3.29Å; R248-V250 PolarHBondContact O-N 3.48Å; R248-Y251 WeakPolarHBondContact O-CB 3.46Å; R248-Y251 PolarHBondContact O-N 3.01Å; R248-E252 WeakPolarHBondContact O-CB 3.47Å; R248-E252 PolarHBondContact O-N 3.47Å; R248-L308 HydrophobicContact CG-CG 4.46Å; R248-L308 PolarHBondContact NE-O 2.99Å; R248-F309 VanDerWaalsContact CA-CE1 3.47Å; R248-F309 HydrophobicContact CB-CE1 3.99Å; R248-F309 HydrophobicContact CB-CZ 4.18Å; R248-V312 HydrophobicContact CG-CG1 4.3Å
249	A	97.5	Very high	94.9	Very high	46 Å²	46	62.2 Å²	62.2	38%	0.38	30%	0.301	S	S	.	.	H	α-helix	trans	-62	-39.2	179.2	0	0	0	0	0	112	M245 E246 T253	M245-A249 PolarHBondContact O-N 3.08Å; E246-A249 PolarHBondContact O-N 3.49Å; A249-T253 PolarHBondContact O-N 2.93Å; A249-T253 VanDerWaalsContact O-N 3.14Å; A249-T253 PolarHBondContact O-OG1 2.73Å
250	V	96.4	Very high	94.6	Very high	11 Å²	11	53.5 Å²	53.5	7%	0.067	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-47.5	173.3	177	0	0	0	0	110.6	R209 W212 F224 E246 R248 E252 T253 I254	R209-V250 VanDerWaalsContact CZ-CG2 3.41Å; W212-V250 HydrophobicContact CH2-CG1 3.51Å; W212-V250 HydrophobicContact CZ3-CG1 3.53Å; F224-V250 HydrophobicContact CE2-CG1 3.97Å; F224-V250 HydrophobicContact CZ-CB 4.22Å; F224-V250 HydrophobicContact CZ-CG1 3.79Å; E246-V250 VanDerWaalsContact O-CG2 3.27Å; E246-V250 WeakPolarHBondContact O-CG2 3.5Å; E246-V250 PolarHBondContact O-N 3.45Å; R248-V250 VanDerWaalsContact C-N 3.29Å; R248-V250 PolarHBondContact O-N 3.48Å; V250-E252 PolarHBondContact O-N 2.92Å; V250-T253 WeakPolarHBondContact O-CB 3.29Å; V250-T253 PolarHBondContact O-N 3.37Å; V250-I254 HydrophobicContact CG1-CG1 4.44Å; V250-I254 WeakPolarHBondContact O-CG1 3.36Å; V250-I254 PolarHBondContact O-N 3.04Å
251	Y	96.9	Very high	93.8	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-57.6	-47.5	177.7	174.8	-93.8	0	0	0	111.9	F224 S247 R248 T253 I254 V255 F265 L267 F309 V312 R313 F320	F224-Y251 HydrophobicContact CB-CD2 4.42Å; F224-Y251 AromaticContact CD1-CD2 3.72Å; F224-Y251 HydrophobicContact CD1-CD2 3.72Å; F224-Y251 HydrophobicContact CD2-CD2 4.34Å; F224-Y251 AromaticContact CE1-CD2 3.99Å; F224-Y251 HydrophobicContact CE1-CD2 3.99Å; F224-Y251 HydrophobicContact CE1-CG 4.34Å; F224-Y251 AromaticContact CG-CD2 3.91Å; F224-Y251 HydrophobicContact CG-CD2 3.91Å; F224-Y251 HydrophobicContact CZ-CD2 4.41Å; S247-Y251 WeakPolarHBondContact O-CB 3.31Å; S247-Y251 PolarHBondContact O-N 3.42Å; R248-Y251 WeakPolarHBondContact O-CB 3.46Å; R248-Y251 PolarHBondContact O-N 3.01Å; Y251-T253 VanDerWaalsContact C-N 3.28Å; Y251-T253 PolarHBondContact O-N 2.67Å; Y251-I254 PolarHBondContact O-N 2.77Å; Y251-I254 VanDerWaalsContact O-N 3.14Å; Y251-V255 HydrophobicContact CD1-CB 4.45Å; Y251-V255 HydrophobicContact CD1-CG1 4.02Å; Y251-V255 HydrophobicContact CE1-CB 4.06Å; Y251-V255 HydrophobicContact CE1-CG1 3.71Å; Y251-V255 HydrophobicContact CE1-CG2 4.32Å; Y251-V255 HydrophobicContact CE2-CB 4.33Å; Y251-V255 HydrophobicContact CE2-CG2 4.45Å; Y251-V255 WeakPolarHBondContact O-CB 3.46Å; Y251-V255 VanDerWaalsContact O-CG1 3.29Å; Y251-V255 WeakPolarHBondContact O-CG1 3.1Å; Y251-V255 PolarHBondContact O-N 3.5Å; Y251-F265 AromaticContact CD2-CE1 3.85Å; Y251-F265 HydrophobicContact CD2-CE1 3.85Å; Y251-F265 HydrophobicContact CD2-CZ 4.18Å; Y251-F265 HydrophobicContact CE2-CD1 4.04Å; Y251-F265 AromaticContact CE2-CE1 3.37Å; Y251-F265 HydrophobicContact CE2-CE1 3.37Å; Y251-F265 HydrophobicContact CE2-CZ 4.05Å; Y251-L267 HydrophobicContact CD2-CD1 4.03Å; Y251-L267 HydrophobicContact CE2-CD1 3.93Å; Y251-F309 HydrophobicContact CD1-CB 4.28Å; Y251-F309 AromaticContact CD1-CD1 3.75Å; Y251-F309 HydrophobicContact CD1-CD1 3.75Å; Y251-F309 HydrophobicContact CD2-CD1 4.25Å; Y251-F309 HydrophobicContact CE1-CB 4.12Å; Y251-F309 HydrophobicContact CE1-CD1 4.39Å; Y251-F309 WeakPolarHBondContact CE1-O 3.49Å; Y251-F309 AromaticContact CG-CD1 3.67Å; Y251-F309 HydrophobicContact CG-CD1 3.67Å; Y251-F309 HydrophobicContact CG-CE1 4.34Å; Y251-V312 HydrophobicContact CD1-CG2 3.69Å; Y251-V312 HydrophobicContact CE1-CG2 3.9Å; Y251-R313 HydrophobicContact CE1-CG 4.08Å; Y251-R313 WeakPolarHBondContact OH-CD 3.25Å; Y251-F320 WeakPolarHBondContact OH-CE2 3.43Å
252	E	96.9	Very high	93	Very high	82 Å²	82	55.2 Å²	55.2	38%	0.383	28%	0.275	S	S	.	.	H	α-helix	trans	-55.4	-43.6	176.7	179.3	171.7	-162.1	0	0	111.7	R248 V250 N256 V312	R248-E252 WeakPolarHBondContact O-CB 3.47Å; R248-E252 PolarHBondContact O-N 3.47Å; V250-E252 PolarHBondContact O-N 2.92Å; E252-N256 VanDerWaalsContact O-CB 3.3Å; E252-N256 WeakPolarHBondContact O-CB 3.47Å; E252-N256 PolarHBondContact O-N 2.9Å; E252-N256 PolarHBondContact O-ND2 2.82Å; E252-V312 HydrophobicContact CB-CB 3.98Å; E252-V312 HydrophobicContact CB-CG1 4.48Å; E252-V312 HydrophobicContact CB-CG2 3.96Å; E252-V312 HydrophobicContact CG-CB 3.93Å; E252-V312 HydrophobicContact CG-CG1 4.47Å; E252-V312 HydrophobicContact CG-CG2 4.42Å
253	T	94.6	Very high	92.4	Very high	95 Å²	95	55 Å²	55	58%	0.583	27%	0.273	S	S	*	.	H	α-helix	trans	-63.3	-44.3	177.8	-58.1	0	0	0	0	111.7	A249 V250 Y251 N257	A249-T253 PolarHBondContact O-N 2.93Å; A249-T253 VanDerWaalsContact O-N 3.14Å; A249-T253 PolarHBondContact O-OG1 2.73Å; V250-T253 WeakPolarHBondContact O-CB 3.29Å; V250-T253 PolarHBondContact O-N 3.37Å; Y251-T253 VanDerWaalsContact C-N 3.28Å; Y251-T253 PolarHBondContact O-N 2.67Å; T253-N257 WeakPolarHBondContact O-CB 3.36Å; T253-N257 PolarHBondContact O-N 3.45Å
254	I	93.2	Very high	91.9	Very high	10 Å²	10	54.2 Å²	54.2	5%	0.051	27%	0.27	C	S	.	.	H	α-helix	trans	-75.8	-51.2	-176.9	-57.5	-53.6	0	0	0	110.5	L44 W212 F216 I222 F224 V250 Y251 N256 N257 F260 F265	L44-I254 HydrophobicContact CD1-CG1 4.33Å; L44-I254 HydrophobicContact CD1-CG2 3.67Å; W212-I254 HydrophobicContact CE3-CD1 3.95Å; W212-I254 HydrophobicContact CE3-CG1 4.46Å; W212-I254 HydrophobicContact CZ3-CD1 3.97Å; W212-I254 HydrophobicContact CZ3-CG1 4.02Å; F216-I254 HydrophobicContact CZ-CD1 4.44Å; I222-I254 HydrophobicContact CD1-CG2 4.1Å; F224-I254 HydrophobicContact CE2-CB 4.47Å; F224-I254 HydrophobicContact CE2-CG1 4.22Å; V250-I254 HydrophobicContact CG1-CG1 4.44Å; V250-I254 WeakPolarHBondContact O-CG1 3.36Å; V250-I254 PolarHBondContact O-N 3.04Å; Y251-I254 PolarHBondContact O-N 2.77Å; Y251-I254 VanDerWaalsContact O-N 3.14Å; I254-N256 PolarHBondContact O-N 3.31Å; I254-N257 VanDerWaalsContact O-CB 3.29Å; I254-N257 WeakPolarHBondContact O-CB 3.37Å; I254-N257 PolarHBondContact O-N 2.84Å; I254-F260 HydrophobicContact CG2-CD2 3.87Å; I254-F260 HydrophobicContact CG2-CE2 3.64Å; I254-F260 WeakPolarHBondContact O-CD2 3.31Å; I254-F265 HydrophobicContact CB-CE2 4.49Å; I254-F265 HydrophobicContact CB-CZ 4.48Å; I254-F265 HydrophobicContact CG2-CE2 3.68Å; I254-F265 HydrophobicContact CG2-CZ 3.96Å
255	V	93.6	Very high	91.6	Very high	30 Å²	30	55.2 Å²	55.2	18%	0.182	28%	0.275	C	S	.	.	H	α-helix	trans	-63.6	-27.5	-173.8	77.5	0	0	0	0	112.9	Y251 F265 R313	Y251-V255 HydrophobicContact CD1-CB 4.45Å; Y251-V255 HydrophobicContact CD1-CG1 4.02Å; Y251-V255 HydrophobicContact CE1-CB 4.06Å; Y251-V255 HydrophobicContact CE1-CG1 3.71Å; Y251-V255 HydrophobicContact CE1-CG2 4.32Å; Y251-V255 HydrophobicContact CE2-CB 4.33Å; Y251-V255 HydrophobicContact CE2-CG2 4.45Å; Y251-V255 WeakPolarHBondContact O-CB 3.46Å; Y251-V255 VanDerWaalsContact O-CG1 3.29Å; Y251-V255 WeakPolarHBondContact O-CG1 3.1Å; Y251-V255 PolarHBondContact O-N 3.5Å; V255-F265 HydrophobicContact CB-CE2 4.23Å; V255-F265 HydrophobicContact CB-CZ 4.27Å; V255-F265 HydrophobicContact CG2-CD1 4.45Å; V255-F265 HydrophobicContact CG2-CD2 4.25Å; V255-F265 HydrophobicContact CG2-CE2 4.35Å; V255-F265 HydrophobicContact CG2-CG 4.29Å; V255-R313 HydrophobicContact CG1-CG 4.24Å; V255-R313 HydrophobicContact CG2-CG 4.15Å
256	N	93.8	Very high	91.5	Very high	56 Å²	56	51.8 Å²	51.8	30%	0.299	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	1.2	178.2	-62.2	-39.9	0	0	0	113.2	E252 I254 R258 V312 A314	E252-N256 VanDerWaalsContact O-CB 3.3Å; E252-N256 WeakPolarHBondContact O-CB 3.47Å; E252-N256 PolarHBondContact O-N 2.9Å; E252-N256 PolarHBondContact O-ND2 2.82Å; I254-N256 PolarHBondContact O-N 3.31Å; N256-R258 PolarHBondContact O-N 3.42Å; N256-V312 PolarHBondContact ND2-O 3.38Å; N256-A314 VanDerWaalsContact OD1-CB 3.24Å; N256-A314 WeakPolarHBondContact OD1-CB 3.29Å; N256-A314 PolarHBondContact OD1-N 3.32Å
257	N	91	Very high	91.5	Very high	45 Å²	45	51 Å²	51	24%	0.241	26%	0.255	C	S	.	.			trans	-72.5	125.7	177.7	-170.4	-30.1	0	0	0	110.5	T253 I254 C259 F260	T253-N257 WeakPolarHBondContact O-CB 3.36Å; T253-N257 PolarHBondContact O-N 3.45Å; I254-N257 VanDerWaalsContact O-CB 3.29Å; I254-N257 WeakPolarHBondContact O-CB 3.37Å; I254-N257 PolarHBondContact O-N 2.84Å; N257-C259 PolarHBondContact O-N 2.98Å; N257-C259 WeakPolarHBondContact OD1-CB 3.19Å; N257-C259 PolarHBondContact OD1-N 3.19Å; N257-C259 PolarHBondContact OD1-SG 3.19Å; N257-F260 HydrophobicContact CB-CD2 3.78Å; N257-F260 HydrophobicContact CB-CE2 4.01Å; N257-F260 PolarHBondContact O-N 2.87Å
258	R	87.4	Confident	91.5	Very high	228 Å²	228	51.1 Å²	51.1	86%	0.86	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-59.8	-27.3	-179.4	-63.2	-176.1	-177.6	-178.7	0.9	113.4	N256 F260 Y261	N256-R258 PolarHBondContact O-N 3.42Å; R258-F260 PolarHBondContact O-N 3.25Å; R258-F260 VanDerWaalsContact O-N 3.11Å; R258-Y261 PolarHBondContact O-N 3.44Å
259	C	84.4	Confident	91.5	Very high	89 Å²	89	48.3 Å²	48.3	60%	0.601	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-59.3	-20.1	175.2	-65.3	0	0	0	0	113.1	N257	N257-C259 PolarHBondContact O-N 2.98Å; N257-C259 WeakPolarHBondContact OD1-CB 3.19Å; N257-C259 PolarHBondContact OD1-N 3.19Å; N257-C259 PolarHBondContact OD1-SG 3.19Å
260	F	84.6	Confident	91.6	Very high	10 Å²	10	46.3 Å²	46.3	4%	0.044	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-112.1	11.2	-176.4	-51	-44.7	0	0	0	114	F216 I222 I254 N257 R258 D262 M263	F216-F260 HydrophobicContact CB-CE1 4.04Å; F216-F260 HydrophobicContact CB-CZ 4.36Å; F216-F260 AromaticContact CD1-CE1 3.87Å; F216-F260 HydrophobicContact CD1-CE1 3.87Å; F216-F260 AromaticContact CD1-CZ 3.53Å; F216-F260 HydrophobicContact CD1-CZ 3.53Å; F216-F260 AromaticContact CD2-CE1 3.96Å; F216-F260 HydrophobicContact CD2-CE1 3.96Å; F216-F260 HydrophobicContact CD2-CE2 4.46Å; F216-F260 AromaticContact CD2-CZ 3.47Å; F216-F260 HydrophobicContact CD2-CZ 3.47Å; F216-F260 VanDerWaalsContact CD2-CZ 3.47Å; F216-F260 HydrophobicContact CE1-CE1 4.31Å; F216-F260 HydrophobicContact CE1-CE2 4.43Å; F216-F260 AromaticContact CE1-CZ 3.53Å; F216-F260 HydrophobicContact CE1-CZ 3.53Å; F216-F260 HydrophobicContact CE2-CE1 4.4Å; F216-F260 HydrophobicContact CE2-CE2 4.13Å; F216-F260 AromaticContact CE2-CZ 3.47Å; F216-F260 HydrophobicContact CE2-CZ 3.47Å; F216-F260 VanDerWaalsContact CE2-CZ 3.47Å; F216-F260 AromaticContact CG-CE1 3.69Å; F216-F260 HydrophobicContact CG-CE1 3.69Å; F216-F260 AromaticContact CG-CZ 3.52Å; F216-F260 HydrophobicContact CG-CZ 3.52Å; F216-F260 HydrophobicContact CZ-CE2 4.12Å; F216-F260 AromaticContact CZ-CZ 3.51Å; F216-F260 HydrophobicContact CZ-CZ 3.51Å; I222-F260 HydrophobicContact CD1-CB 4Å; I222-F260 HydrophobicContact CD1-CD1 3.69Å; I222-F260 HydrophobicContact CD1-CD2 3.65Å; I222-F260 HydrophobicContact CD1-CE1 3.96Å; I222-F260 HydrophobicContact CD1-CE2 3.96Å; I222-F260 HydrophobicContact CD1-CG 3.5Å; I222-F260 VanDerWaalsContact CD1-CG 3.5Å; I222-F260 HydrophobicContact CD1-CZ 4.07Å; I254-F260 HydrophobicContact CG2-CD2 3.87Å; I254-F260 HydrophobicContact CG2-CE2 3.64Å; I254-F260 WeakPolarHBondContact O-CD2 3.31Å; N257-F260 HydrophobicContact CB-CD2 3.78Å; N257-F260 HydrophobicContact CB-CE2 4.01Å; N257-F260 PolarHBondContact O-N 2.87Å; R258-F260 PolarHBondContact O-N 3.25Å; R258-F260 VanDerWaalsContact O-N 3.11Å; F260-D262 PolarHBondContact O-N 3.47Å; F260-D262 VanDerWaalsContact O-N 3.16Å; F260-M263 HydrophobicContact CB-CB 4.47Å; F260-M263 HydrophobicContact CB-SD 4.24Å; F260-M263 HydrophobicContact CD1-CE 3.69Å; F260-M263 HydrophobicContact CD1-SD 3.45Å; F260-M263 WeakPolarHBondContact CD1-SD 3.22Å; F260-M263 HydrophobicContact CE1-CE 4.26Å; F260-M263 HydrophobicContact CE1-SD 4.2Å; F260-M263 HydrophobicContact CG-SD 4.23Å; F260-M263 PolarHBondContact O-N 2.75Å
261	Y	80	Confident	91.6	Very high	138 Å²	138	46.8 Å²	46.8	54%	0.541	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-40	-174.2	-171.3	-97	0	0	0	112.8	R258 N315 Q318 R347	R258-Y261 PolarHBondContact O-N 3.44Å; Y261-N315 WeakPolarHBondContact CE2-ND2 3.43Å; Y261-Q318 PolarHBondContact O-NE2 3.13Å; Y261-R347 PolarHBondContact O-NH2 3.08Å
262	D	79.5	Confident	91.7	Very high	121 Å²	121	47.3 Å²	47.3	65%	0.647	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-1.9	-178.1	-64.7	-40.5	0	0	0	114.5	F260 R347	F260-D262 PolarHBondContact O-N 3.47Å; F260-D262 VanDerWaalsContact O-N 3.16Å; D262-R347 VanDerWaalsContact O-CZ 3.27Å; D262-R347 PolarHBondContact O-NE 3.1Å; D262-R347 PolarHBondContact O-NH2 3.27Å
263	M	84	Confident	91.7	Very high	26 Å²	26	45.3 Å²	45.3	13%	0.128	22%	0.224	C	C	.	.	S	Bend	trans	-85.9	148.9	-176.3	-61.7	-173.6	-170.4	0	0	112.9	V219 I222 F260 F265 R347	V219-M263 HydrophobicContact CB-CE 3.9Å; V219-M263 HydrophobicContact CB-SD 3.82Å; V219-M263 HydrophobicContact CG1-CE 4.48Å; V219-M263 HydrophobicContact CG1-SD 3.73Å; V219-M263 WeakPolarHBondContact O-CE 3.25Å; I222-M263 HydrophobicContact CD1-SD 4.32Å; I222-M263 HydrophobicContact CG1-SD 4.36Å; F260-M263 HydrophobicContact CB-CB 4.47Å; F260-M263 HydrophobicContact CB-SD 4.24Å; F260-M263 HydrophobicContact CD1-CE 3.69Å; F260-M263 HydrophobicContact CD1-SD 3.45Å; F260-M263 WeakPolarHBondContact CD1-SD 3.22Å; F260-M263 HydrophobicContact CE1-CE 4.26Å; F260-M263 HydrophobicContact CE1-SD 4.2Å; F260-M263 HydrophobicContact CG-SD 4.23Å; F260-M263 PolarHBondContact O-N 2.75Å; M263-F265 PolarHBondContact O-N 3.35Å; M263-R347 PolarHBondContact O-NH1 3.17Å; M263-R347 PolarHBondContact O-NH2 3.21Å; M263-R347 VanDerWaalsContact O-NH2 3.15Å
264	S	86.5	Confident	91.8	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.007	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	126.7	167	-86.8	0	0	0	0	110.3	T220 S221 I222 R347	T220-S264 PolarHBondContact O-N 2.9Å; S221-S264 CarbonylContact C-O 3.55Å; S221-S264 VanDerWaalsContact CA-O 3.29Å; S221-S264 WeakPolarHBondContact CA-O 3.32Å; S221-S264 WeakPolarHBondContact OG-CB 3.41Å; I222-S264 PolarHBondContact N-O 3.1Å; S264-R347 WeakPolarHBondContact OG-CD 3.12Å
265	F	91.6	Very high	92.1	Very high	21 Å²	21	41.9 Å²	41.9	9%	0.092	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	122.6	176.9	-149.5	-71.3	0	0	0	109.4	I222 F224 Y251 I254 V255 M263	I222-F265 HydrophobicContact CB-CD2 3.93Å; I222-F265 HydrophobicContact CB-CE2 3.95Å; I222-F265 HydrophobicContact CB-CG 4.44Å; I222-F265 HydrophobicContact CB-CZ 4.48Å; I222-F265 HydrophobicContact CD1-CD2 4.09Å; I222-F265 HydrophobicContact CD1-CE2 3.87Å; I222-F265 HydrophobicContact CG2-CD2 4.1Å; I222-F265 HydrophobicContact CG2-CE1 4.27Å; I222-F265 HydrophobicContact CG2-CE2 3.64Å; I222-F265 HydrophobicContact CG2-CZ 3.74Å; F224-F265 HydrophobicContact CB-CD1 4.43Å; F224-F265 HydrophobicContact CB-CE1 3.4Å; F224-F265 HydrophobicContact CB-CZ 3.8Å; F224-F265 HydrophobicContact CD2-CE1 4.32Å; F224-F265 AromaticContact CD2-CZ 3.91Å; F224-F265 HydrophobicContact CD2-CZ 3.91Å; F224-F265 HydrophobicContact CG-CE1 4.06Å; F224-F265 HydrophobicContact CG-CZ 4.12Å; Y251-F265 AromaticContact CD2-CE1 3.85Å; Y251-F265 HydrophobicContact CD2-CE1 3.85Å; Y251-F265 HydrophobicContact CD2-CZ 4.18Å; Y251-F265 HydrophobicContact CE2-CD1 4.04Å; Y251-F265 AromaticContact CE2-CE1 3.37Å; Y251-F265 HydrophobicContact CE2-CE1 3.37Å; Y251-F265 HydrophobicContact CE2-CZ 4.05Å; I254-F265 HydrophobicContact CB-CE2 4.49Å; I254-F265 HydrophobicContact CB-CZ 4.48Å; I254-F265 HydrophobicContact CG2-CE2 3.68Å; I254-F265 HydrophobicContact CG2-CZ 3.96Å; V255-F265 HydrophobicContact CB-CE2 4.23Å; V255-F265 HydrophobicContact CB-CZ 4.27Å; V255-F265 HydrophobicContact CG2-CD1 4.45Å; V255-F265 HydrophobicContact CG2-CD2 4.25Å; V255-F265 HydrophobicContact CG2-CE2 4.35Å; V255-F265 HydrophobicContact CG2-CG 4.29Å; M263-F265 PolarHBondContact O-N 3.35Å
266	I	95.3	Very high	92.2	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.5	-179.5	-54	173.6	0	0	0	108.8	I222 L223 F224 F268 F321 C340 I344	I222-I266 PolarHBondContact O-N 3.02Å; L223-I266 HydrophobicContact CD1-CB 3.81Å; L223-I266 HydrophobicContact CD1-CG2 3.88Å; F224-I266 PolarHBondContact N-O 3.44Å; I266-F268 HydrophobicContact CG2-CD1 4.01Å; I266-F268 HydrophobicContact CG2-CE1 3.76Å; I266-F321 HydrophobicContact CB-CB 4.44Å; I266-F321 HydrophobicContact CG1-CB 4.08Å; I266-F321 HydrophobicContact CG2-CB 4.34Å; I266-C340 HydrophobicContact CD1-CB 3.85Å; I266-I344 HydrophobicContact CD1-CD1 4.14Å; I266-I344 HydrophobicContact CD1-CG1 4.02Å
267	L	97.6	Very high	92.3	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.7	179.2	-179.3	67.8	0	0	0	111.1	F224 I226 Y251 L269 F309 F320 F321 Y322 H323	F224-L267 HydrophobicContact CB-CD1 4.49Å; F224-L267 HydrophobicContact CD1-CD1 3.96Å; I226-L267 HydrophobicContact CG1-CD1 4.48Å; I226-L267 HydrophobicContact CG2-CD1 3.92Å; Y251-L267 HydrophobicContact CD2-CD1 4.03Å; Y251-L267 HydrophobicContact CE2-CD1 3.93Å; L267-L269 HydrophobicContact CD2-CD1 4.01Å; L267-L269 HydrophobicContact CD2-CG 4.37Å; L267-L269 HydrophobicContact CG-CD1 4.11Å; L267-L269 HydrophobicContact CG-CG 4.45Å; L267-F309 HydrophobicContact CD2-CB 3.73Å; L267-F309 HydrophobicContact CD2-CG 4.06Å; L267-F320 HydrophobicContact CB-CE2 4.29Å; L267-F320 HydrophobicContact CD2-CE2 4Å; L267-F320 HydrophobicContact CD2-CZ 3.68Å; L267-F321 PolarHBondContact N-O 2.82Å; L267-Y322 CarbonylContact O-C 3.47Å; L267-Y322 WeakPolarHBondContact O-CA 3.37Å; L267-H323 PolarHBondContact O-N 3.34Å
268	F	98.4	Very high	92.5	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	110.4	172.2	-84.8	15.6	0	0	0	110	F54 L223 F224 L225 I226 I266 N270 H323 T325 V336 C340	F54-F268 HydrophobicContact CD2-CD2 4.43Å; F54-F268 AromaticContact CD2-CE2 3.82Å; F54-F268 HydrophobicContact CD2-CE2 3.82Å; F54-F268 AromaticContact CE2-CE2 3.64Å; F54-F268 HydrophobicContact CE2-CE2 3.64Å; F54-F268 HydrophobicContact CE2-CZ 4.33Å; F54-F268 HydrophobicContact CZ-CE2 4.43Å; L223-F268 HydrophobicContact CD1-CD1 3.72Å; L223-F268 HydrophobicContact CD1-CD2 4.1Å; L223-F268 HydrophobicContact CD1-CE1 3.53Å; L223-F268 HydrophobicContact CD1-CE2 3.92Å; L223-F268 HydrophobicContact CD1-CG 4.01Å; L223-F268 HydrophobicContact CD1-CZ 3.6Å; L223-F268 HydrophobicContact CD2-CD2 4.02Å; L223-F268 HydrophobicContact CD2-CE2 3.7Å; L223-F268 HydrophobicContact CD2-CZ 4.09Å; L223-F268 HydrophobicContact CG-CD2 4.21Å; L223-F268 HydrophobicContact CG-CE2 4.21Å; L223-F268 HydrophobicContact CG-CG 4.4Å; L223-F268 HydrophobicContact CG-CZ 4.37Å; F224-F268 PolarHBondContact O-N 3.4Å; L225-F268 HydrophobicContact CD2-CD2 4.43Å; L225-F268 HydrophobicContact CG-CB 3.88Å; L225-F268 HydrophobicContact CG-CD2 4.23Å; L225-F268 HydrophobicContact CG-CG 4.49Å; I226-F268 WeakPolarHBondContact CG1-O 3.1Å; I226-F268 PolarHBondContact N-O 3.41Å; I266-F268 HydrophobicContact CG2-CD1 4.01Å; I266-F268 HydrophobicContact CG2-CE1 3.76Å; F268-N270 VanDerWaalsContact C-N 3.32Å; F268-N270 PolarHBondContact O-N 2.89Å; F268-N270 VanDerWaalsContact O-N 3.13Å; F268-H323 WeakPolarHBondContact CA-O 3.41Å; F268-H323 HydrophobicContact CD1-CB 4.05Å; F268-H323 HydrophobicContact CE1-CB 4.01Å; F268-H323 AromaticContact CE1-CD2 3.91Å; F268-T325 HydrophobicContact CB-CG2 4.38Å; F268-T325 HydrophobicContact CD1-CG2 4.15Å; F268-T325 HydrophobicContact CD2-CG2 3.79Å; F268-T325 HydrophobicContact CE1-CG2 4.38Å; F268-T325 HydrophobicContact CE2-CG2 4.05Å; F268-T325 HydrophobicContact CG-CG2 3.85Å; F268-T325 HydrophobicContact CZ-CG2 4.36Å; F268-V336 HydrophobicContact CD1-CG1 4.46Å; F268-V336 HydrophobicContact CE1-CG1 3.51Å; F268-V336 HydrophobicContact CE2-CG1 4.09Å; F268-V336 HydrophobicContact CZ-CG1 3.3Å; F268-C340 VanDerWaalsContact CE1-SG 3.5Å
269	L	98.5	Very high	92.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	83.1	168	-62.4	101.7	0	0	0	107.8	I226 S228 L267 T272 L305 L306 Y322 H323 F324 T325	I226-L269 HydrophobicContact CD1-CB 4.34Å; I226-L269 HydrophobicContact CD1-CD2 3.77Å; I226-L269 HydrophobicContact CD1-CG 3.74Å; I226-L269 HydrophobicContact CG1-CB 4.32Å; I226-L269 HydrophobicContact CG1-CG 4.12Å; S228-L269 WeakPolarHBondContact OG-CA 3.44Å; S228-L269 WeakPolarHBondContact OG-CB 3.27Å; L267-L269 HydrophobicContact CD2-CD1 4.01Å; L267-L269 HydrophobicContact CD2-CG 4.37Å; L267-L269 HydrophobicContact CG-CD1 4.11Å; L267-L269 HydrophobicContact CG-CG 4.45Å; L269-T272 PolarHBondContact O-OG1 2.84Å; L269-L305 HydrophobicContact CD2-CB 3.84Å; L269-L306 HydrophobicContact CD1-CD1 4.4Å; L269-Y322 HydrophobicContact CD1-CD2 4.16Å; L269-Y322 HydrophobicContact CD1-CG 4.48Å; L269-H323 PolarHBondContact N-O 3.07Å; L269-F324 HydrophobicContact CB-CD1 3.46Å; L269-F324 VanDerWaalsContact CB-CD1 3.46Å; L269-F324 HydrophobicContact CB-CE1 3.59Å; L269-F324 HydrophobicContact CB-CG 4.3Å; L269-F324 HydrophobicContact CD1-CD1 4.44Å; L269-F324 HydrophobicContact CD1-CE1 4.12Å; L269-F324 HydrophobicContact CD1-CZ 4.24Å; L269-F324 HydrophobicContact CD2-CD1 4.33Å; L269-F324 HydrophobicContact CD2-CE1 3.53Å; L269-F324 HydrophobicContact CD2-CZ 3.98Å; L269-F324 HydrophobicContact CG-CD1 4.27Å; L269-F324 HydrophobicContact CG-CE1 3.92Å; L269-F324 HydrophobicContact CG-CZ 4.47Å; L269-F324 WeakPolarHBondContact O-CA 3.42Å; L269-T325 PolarHBondContact O-N 2.9Å
270	N	98.5	Very high	93.3	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	171.5	-172.9	-170.5	33.1	0	0	0	112.3	S49 I226 S228 F268 T272 T325 A327	S49-N270 PolarHBondContact O-ND2 3.35Å; I226-N270 WeakPolarHBondContact O-CA 3.03Å; I226-N270 VanDerWaalsContact O-CB 3.31Å; I226-N270 WeakPolarHBondContact O-CB 3.45Å; I226-N270 PolarHBondContact O-N 2.88Å; S228-N270 VanDerWaalsContact CB-O 3.3Å; S228-N270 WeakPolarHBondContact CB-O 3.42Å; S228-N270 PolarHBondContact N-O 3.11Å; S228-N270 PolarHBondContact OG-N 3.12Å; S228-N270 PolarHBondContact OG-O 3.16Å; F268-N270 VanDerWaalsContact C-N 3.32Å; F268-N270 PolarHBondContact O-N 2.89Å; F268-N270 VanDerWaalsContact O-N 3.13Å; N270-T272 VanDerWaalsContact C-N 3.3Å; N270-T272 PolarHBondContact O-N 3.3Å; N270-T325 CarbonylContact C-O 3.4Å; N270-T325 WeakPolarHBondContact CA-O 3.27Å; N270-T325 WeakPolarHBondContact CA-OG1 3.43Å; N270-T325 WeakPolarHBondContact CB-OG1 3.32Å; N270-T325 PolarHBondContact OD1-O 3.37Å; N270-T325 PolarHBondContact OD1-OG1 2.84Å; N270-A327 WeakPolarHBondContact OD1-CB 3.17Å; N270-A327 PolarHBondContact OD1-N 3.37Å
271	K	98.1	Very high	93.7	Very high	22 Å²	22	40.7 Å²	40.7	10%	0.096	20%	0.198	C	C	.	.			trans	59.9	39.6	-177.2	-54.7	-178.4	-174.8	176.4	0	112.2	E48 D151 A227 N229 E230 D273 L274 L275 T325	E48-K271 WeakPolarHBondContact O-CE 3.43Å; E48-K271 PolarHBondContact O-NZ 3.11Å; D151-K271 WeakPolarHBondContact OD2-CE 3.34Å; D151-K271 IonicContact OD2-NZ 3.77Å; D151-K271 PolarHBondContact OD2-NZ 3.36Å; A227-K271 HydrophobicContact CB-CD 3.77Å; A227-K271 HydrophobicContact CB-CG 4.49Å; N229-K271 WeakPolarHBondContact OD1-CB 3.39Å; N229-K271 WeakPolarHBondContact OD1-CD 3.39Å; E230-K271 IonicContact OE1-NZ 3.88Å; E230-K271 PolarHBondContact OE1-NZ 3.02Å; K271-D273 VanDerWaalsContact CA-OD1 3.25Å; K271-D273 WeakPolarHBondContact CA-OD1 3.43Å; K271-D273 PolarHBondContact O-N 2.97Å; K271-L274 HydrophobicContact CB-CB 4.39Å; K271-L274 HydrophobicContact CB-CD1 4.25Å; K271-L274 HydrophobicContact CB-CG 4.49Å; K271-L274 HydrophobicContact CD-CD1 4.11Å; K271-L274 HydrophobicContact CG-CD1 4.47Å; K271-L274 PolarHBondContact O-N 2.92Å; K271-L275 PolarHBondContact O-N 2.75Å; K271-T325 PolarHBondContact N-O 3.32Å; K271-T325 VanDerWaalsContact N-O 3.11Å
272	T	98	Very high	94.4	Very high	13 Å²	13	34.7 Å²	34.7	8%	0.08	18%	0.176	C	C	.	.	H	α-helix	trans	-64.2	-32.7	178.8	-57.1	0	0	0	0	111.3	L269 N270 L275 I276 T325	L269-T272 PolarHBondContact O-OG1 2.84Å; N270-T272 VanDerWaalsContact C-N 3.3Å; N270-T272 PolarHBondContact O-N 3.3Å; T272-L275 WeakPolarHBondContact O-CB 3.21Å; T272-L275 PolarHBondContact O-N 3.25Å; T272-I276 HydrophobicContact CG2-CD1 4.16Å; T272-I276 HydrophobicContact CG2-CG1 4.47Å; T272-I276 WeakPolarHBondContact O-CD1 3.49Å; T272-I276 VanDerWaalsContact O-CG1 3.23Å; T272-I276 WeakPolarHBondContact O-CG1 3.33Å; T272-I276 PolarHBondContact O-N 3.18Å; T272-T325 WeakPolarHBondContact CB-O 3.36Å; T272-T325 PolarHBondContact N-O 3.35Å; T272-T325 VanDerWaalsContact N-O 3.08Å; T272-T325 PolarHBondContact OG1-N 2.84Å; T272-T325 PolarHBondContact OG1-O 3.46Å
273	D	97.4	Very high	95.2	Very high	39 Å²	39	31.4 Å²	31.4	21%	0.209	16%	0.158	C	C	.	.	H	α-helix	trans	-53.2	-50.9	169.9	56.2	-44.1	0	0	0	112.1	K271 L275 I276 E277 T326 I328	K271-D273 VanDerWaalsContact CA-OD1 3.25Å; K271-D273 WeakPolarHBondContact CA-OD1 3.43Å; K271-D273 PolarHBondContact O-N 2.97Å; D273-L275 VanDerWaalsContact C-N 3.34Å; D273-L275 PolarHBondContact O-N 2.88Å; D273-I276 WeakPolarHBondContact O-CB 3.43Å; D273-I276 PolarHBondContact O-N 3.39Å; D273-E277 PolarHBondContact O-N 3.4Å; D273-T326 HydrophobicContact CB-CG2 3.87Å; D273-T326 PolarHBondContact N-OG1 3.02Å; D273-T326 WeakPolarHBondContact OD1-CG2 3.46Å; D273-I328 WeakPolarHBondContact OD2-CD1 3.27Å
274	L	97.3	Very high	95.8	Very high	34 Å²	34	30.2 Å²	30.2	18%	0.178	15%	0.152	C	C	.	.	H	α-helix	trans	-72.4	-29	178.8	-58.8	179.8	0	0	0	112.6	D151 N229 K271 K278	D151-L274 HydrophobicContact CB-CD1 3.52Å; D151-L274 VanDerWaalsContact CG-CD1 3.43Å; N229-L274 HydrophobicContact CB-CB 3.77Å; K271-L274 HydrophobicContact CB-CB 4.39Å; K271-L274 HydrophobicContact CB-CD1 4.25Å; K271-L274 HydrophobicContact CB-CG 4.49Å; K271-L274 HydrophobicContact CD-CD1 4.11Å; K271-L274 HydrophobicContact CG-CD1 4.47Å; K271-L274 PolarHBondContact O-N 2.92Å; L274-K278 WeakPolarHBondContact O-CB 3.33Å; L274-K278 PolarHBondContact O-N 3.23Å; L274-K278 VanDerWaalsContact O-N 3.08Å
275	L	98	Very high	96.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.4	-46.2	172.7	178.1	60.4	0	0	0	110.2	N229 Y231 K271 T272 D273 E277 K278 I279 L298 V301 Q302 L305	N229-L275 HydrophobicContact CB-CB 4.42Å; Y231-L275 HydrophobicContact CD1-CD1 4.07Å; Y231-L275 HydrophobicContact CE1-CD1 3.58Å; K271-L275 PolarHBondContact O-N 2.75Å; T272-L275 WeakPolarHBondContact O-CB 3.21Å; T272-L275 PolarHBondContact O-N 3.25Å; D273-L275 VanDerWaalsContact C-N 3.34Å; D273-L275 PolarHBondContact O-N 2.88Å; L275-E277 VanDerWaalsContact C-N 3.31Å; L275-E277 PolarHBondContact O-N 3.34Å; L275-K278 PolarHBondContact O-N 3.35Å; L275-I279 HydrophobicContact CD1-CG2 4.17Å; L275-I279 HydrophobicContact CG-CG2 4.46Å; L275-I279 WeakPolarHBondContact O-CG2 3.49Å; L275-I279 PolarHBondContact O-N 2.96Å; L275-L298 HydrophobicContact CD2-CD1 3.98Å; L275-L298 HydrophobicContact CG-CD1 4Å; L275-V301 HydrophobicContact CD1-CG1 4.01Å; L275-V301 HydrophobicContact CD2-CG1 4.43Å; L275-Q302 HydrophobicContact CD2-CG 4.27Å; L275-L305 HydrophobicContact CD2-CD1 3.93Å
276	I	97.3	Very high	96.6	Very high	83 Å²	83	37.9 Å²	37.9	43%	0.426	19%	0.192	S	C	.	.	H	α-helix	trans	-57.1	-44.2	177.7	-69.7	161.5	0	0	0	111.2	T272 D273 K278 I279 L298	T272-I276 HydrophobicContact CG2-CD1 4.16Å; T272-I276 HydrophobicContact CG2-CG1 4.47Å; T272-I276 WeakPolarHBondContact O-CD1 3.49Å; T272-I276 VanDerWaalsContact O-CG1 3.23Å; T272-I276 WeakPolarHBondContact O-CG1 3.33Å; T272-I276 PolarHBondContact O-N 3.18Å; D273-I276 WeakPolarHBondContact O-CB 3.43Å; D273-I276 PolarHBondContact O-N 3.39Å; I276-K278 VanDerWaalsContact C-N 3.29Å; I276-K278 PolarHBondContact O-N 3.31Å; I276-I279 WeakPolarHBondContact O-CG1 3.36Å; I276-L298 HydrophobicContact CD1-CD2 4.18Å; I276-L298 HydrophobicContact CG1-CD1 3.89Å; I276-L298 HydrophobicContact CG1-CD2 3.71Å; I276-L298 HydrophobicContact CG1-CG 4.41Å
277	E	94.7	Very high	96.7	Very high	107 Å²	107	42.2 Å²	42.2	50%	0.5	21%	0.209	S	C	.	.	H	α-helix	trans	-67	-32.8	176.9	-66.4	176.3	-163.3	0	0	112.4	D273 L275	D273-E277 PolarHBondContact O-N 3.4Å; L275-E277 VanDerWaalsContact C-N 3.31Å; L275-E277 PolarHBondContact O-N 3.34Å
278	K	95.5	Very high	96.7	Very high	13 Å²	13	42.6 Å²	42.6	6%	0.057	21%	0.211	C	C	.	.	H	α-helix	trans	-83.6	-29	-169.7	-170.1	176.7	-85	-161.4	0	114	N229 Y231 D232 L274 L275 I276 D280 Q281 S282	N229-K278 HydrophobicContact CB-CD 4.47Å; N229-K278 WeakPolarHBondContact O-CD 3.47Å; N229-K278 WeakPolarHBondContact O-CE 3.38Å; N229-K278 PolarHBondContact O-NZ 2.91Å; Y231-K278 HydrophobicContact CE1-CD 3.76Å; Y231-K278 HydrophobicContact CE1-CG 4.16Å; Y231-K278 WeakPolarHBondContact OH-CG 3.49Å; Y231-K278 PolarHBondContact OH-O 3.43Å; D232-K278 IonicContact OD1-NZ 3.14Å; D232-K278 PolarHBondContact OD1-NZ 3.2Å; D232-K278 WeakPolarHBondContact OD2-CD 3.49Å; D232-K278 IonicContact OD2-NZ 3.47Å; L274-K278 WeakPolarHBondContact O-CB 3.33Å; L274-K278 PolarHBondContact O-N 3.23Å; L274-K278 VanDerWaalsContact O-N 3.08Å; L275-K278 PolarHBondContact O-N 3.35Å; I276-K278 VanDerWaalsContact C-N 3.29Å; I276-K278 PolarHBondContact O-N 3.31Å; K278-D280 PolarHBondContact O-N 3.27Å; K278-D280 VanDerWaalsContact O-N 3.14Å; K278-Q281 PolarHBondContact O-N 2.76Å; K278-S282 PolarHBondContact O-N 2.88Å
279	I	95.8	Very high	96.6	Very high	12 Å²	12	48.3 Å²	48.3	6%	0.062	25%	0.248	C	C	.	.	H	α-helix	trans	-55.9	-33.7	179.5	66	-172.1	0	0	0	111.9	L275 I276 Q281 K296 L298 V301	L275-I279 HydrophobicContact CD1-CG2 4.17Å; L275-I279 HydrophobicContact CG-CG2 4.46Å; L275-I279 WeakPolarHBondContact O-CG2 3.49Å; L275-I279 PolarHBondContact O-N 2.96Å; I276-I279 WeakPolarHBondContact O-CG1 3.36Å; I279-Q281 VanDerWaalsContact C-N 3.32Å; I279-Q281 PolarHBondContact O-N 3.43Å; I279-K296 WeakPolarHBondContact O-CD 3.26Å; I279-K296 PolarHBondContact O-NZ 3.08Å; I279-L298 HydrophobicContact CD1-CB 4.04Å; I279-V301 HydrophobicContact CG2-CG2 4.21Å
280	D	92.9	Very high	96.4	Very high	112 Å²	112	53.1 Å²	53.1	60%	0.599	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-25	178.1	-72.2	-32.1	0	0	0	113.3	K278 K296	K278-D280 PolarHBondContact O-N 3.27Å; K278-D280 VanDerWaalsContact O-N 3.14Å; D280-K296 PolarHBondContact O-NZ 3.45Å
281	Q	91.8	Very high	96.4	Very high	106 Å²	106	54.1 Å²	54.1	50%	0.495	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-32	-173	-57.2	-172.4	-23.9	0	0	113.2	E142 K278 I279	E142-Q281 PolarHBondContact OE2-NE2 2.85Å; K278-Q281 PolarHBondContact O-N 2.76Å; I279-Q281 VanDerWaalsContact C-N 3.32Å; I279-Q281 PolarHBondContact O-N 3.43Å
282	S	95.2	Very high	96.3	Very high	12 Å²	12	59.9 Å²	59.9	8%	0.084	32%	0.315	C	S	.	.			trans	-133.4	115.5	-168.8	-169.2	0	0	0	0	111.3	Y231 D232 K278 I284	Y231-S282 PolarHBondContact OH-O 3.34Å; D232-S282 VanDerWaalsContact CB-OG 3.27Å; D232-S282 WeakPolarHBondContact CB-OG 3.35Å; D232-S282 VanDerWaalsContact OD2-CB 3.22Å; D232-S282 WeakPolarHBondContact OD2-CB 3.36Å; D232-S282 PolarHBondContact OD2-OG 2.78Å; K278-S282 PolarHBondContact O-N 2.88Å; S282-I284 PolarHBondContact O-N 3.35Å
283	D	96.1	Very high	96.2	Very high	52 Å²	52	60.9 Å²	60.9	28%	0.278	33%	0.328	S	S	.	.			trans	-77.3	112	179.7	179.3	-1	0	0	0	110.9	G285 K286 Y287 C295	D283-G285 PolarHBondContact O-N 3.23Å; D283-G285 PolarHBondContact OD1-N 3.22Å; D283-K286 HydrophobicContact CB-CD 4.12Å; D283-K286 HydrophobicContact CB-CG 4.09Å; D283-K286 WeakPolarHBondContact O-CB 3.2Å; D283-K286 PolarHBondContact O-N 3.24Å; D283-Y287 WeakPolarHBondContact O-CD2 3.36Å; D283-C295 WeakPolarHBondContact OD1-CB 3.37Å; D283-C295 PolarHBondContact OD1-SG 2.99Å; D283-C295 VanDerWaalsContact OD1-SG 3.36Å
284	I	97.8	Very high	96.2	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-59.7	-29.9	178.9	-166.9	167.2	0	0	0	112.9	Y231 S282 K286 Y287 F288 F291 C295 V301 F304 L305	Y231-I284 HydrophobicContact CD1-CD1 4.37Å; Y231-I284 HydrophobicContact CD2-CB 3.96Å; Y231-I284 HydrophobicContact CD2-CD1 4.34Å; Y231-I284 HydrophobicContact CD2-CG1 3.81Å; Y231-I284 HydrophobicContact CE2-CB 3.94Å; Y231-I284 HydrophobicContact CE2-CG1 4.31Å; Y231-I284 HydrophobicContact CG-CB 4.5Å; Y231-I284 HydrophobicContact CG-CD1 4.04Å; Y231-I284 HydrophobicContact CG-CG1 4Å; S282-I284 PolarHBondContact O-N 3.35Å; I284-K286 PolarHBondContact O-N 3.48Å; I284-Y287 PolarHBondContact O-N 3.32Å; I284-F288 HydrophobicContact CD1-CD2 4.37Å; I284-F288 HydrophobicContact CG1-CD2 3.77Å; I284-F288 HydrophobicContact CG1-CG 4.49Å; I284-F288 PolarHBondContact O-N 2.91Å; I284-F291 HydrophobicContact CG2-CD1 3.65Å; I284-F291 HydrophobicContact CG2-CD2 4.1Å; I284-F291 HydrophobicContact CG2-CE1 3.7Å; I284-F291 HydrophobicContact CG2-CE2 4.15Å; I284-F291 HydrophobicContact CG2-CG 3.84Å; I284-F291 HydrophobicContact CG2-CZ 3.96Å; I284-C295 HydrophobicContact CG2-CB 4.15Å; I284-V301 HydrophobicContact CD1-CG1 3.87Å; I284-V301 HydrophobicContact CG2-CG2 4.25Å; I284-F304 HydrophobicContact CD1-CD1 3.81Å; I284-F304 HydrophobicContact CD1-CE1 3.98Å; I284-L305 HydrophobicContact CD1-CD2 4.38Å
285	G	97.2	Very high	96.2	Very high	24 Å²	24	62.3 Å²	62.3	25%	0.247	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-63	-23.4	179.6	0	0	0	0	0	113.4	D283 Y287 F288	D283-G285 PolarHBondContact O-N 3.23Å; D283-G285 PolarHBondContact OD1-N 3.22Å; G285-Y287 VanDerWaalsContact C-N 3.27Å; G285-Y287 PolarHBondContact O-N 3.42Å; G285-F288 CarbonylContact O-C 3.5Å
286	K	96.8	Very high	96.1	Very high	159 Å²	159	66.7 Å²	66.7	69%	0.691	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-68.4	-26.9	173.6	-64.8	-179.2	-179.7	177.2	0	113.1	D283 I284	D283-K286 HydrophobicContact CB-CD 4.12Å; D283-K286 HydrophobicContact CB-CG 4.09Å; D283-K286 WeakPolarHBondContact O-CB 3.2Å; D283-K286 PolarHBondContact O-N 3.24Å; I284-K286 PolarHBondContact O-N 3.48Å
287	Y	97.1	Very high	96.1	Very high	93 Å²	93	69.2 Å²	69.2	37%	0.365	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-26.4	-177.4	-56.7	-83.2	0	0	0	112	Y231 D232 D283 I284 G285	Y231-Y287 HydrophobicContact CD2-CD2 4.18Å; Y231-Y287 WeakPolarHBondContact O-CB 3.27Å; D232-Y287 HydrophobicContact CB-CD1 4.5Å; D232-Y287 HydrophobicContact CB-CD2 3.91Å; D232-Y287 HydrophobicContact CB-CE1 4.02Å; D232-Y287 HydrophobicContact CB-CE2 3.35Å; D232-Y287 HydrophobicContact CB-CG 4.45Å; D232-Y287 VanDerWaalsContact CB-CZ 3.41Å; D283-Y287 WeakPolarHBondContact O-CD2 3.36Å; I284-Y287 PolarHBondContact O-N 3.32Å; G285-Y287 VanDerWaalsContact C-N 3.27Å; G285-Y287 PolarHBondContact O-N 3.42Å
288	F	97.8	Very high	96.3	Very high	9 Å²	9	66.3 Å²	66.3	4%	0.039	35%	0.348	C	S	.	.			trans	-126.8	85.6	179.1	-67.3	-89.7	0	0	0	109.7	L244 M245 I284 G285 N290 F291 F304 L308	L244-F288 HydrophobicContact CB-CZ 4.16Å; L244-F288 HydrophobicContact CD2-CE1 4.46Å; L244-F288 HydrophobicContact CD2-CE2 3.99Å; L244-F288 HydrophobicContact CD2-CZ 3.7Å; L244-F288 HydrophobicContact CG-CZ 4.28Å; M245-F288 HydrophobicContact CG-CE1 3.92Å; M245-F288 HydrophobicContact CG-CZ 4.06Å; M245-F288 HydrophobicContact SD-CE1 3.65Å; M245-F288 HydrophobicContact SD-CZ 4.32Å; I284-F288 HydrophobicContact CD1-CD2 4.37Å; I284-F288 HydrophobicContact CG1-CD2 3.77Å; I284-F288 HydrophobicContact CG1-CG 4.49Å; I284-F288 PolarHBondContact O-N 2.91Å; G285-F288 CarbonylContact O-C 3.5Å; F288-N290 PolarHBondContact O-N 3.33Å; F288-F291 HydrophobicContact CB-CB 4.44Å; F288-F291 VanDerWaalsContact O-CB 3.25Å; F288-F291 WeakPolarHBondContact O-CB 3.15Å; F288-F291 PolarHBondContact O-N 3.14Å; F288-F304 HydrophobicContact CB-CE1 3.87Å; F288-F304 HydrophobicContact CB-CE2 4.47Å; F288-F304 HydrophobicContact CB-CZ 3.54Å; F288-F304 AromaticContact CD1-CE1 3.86Å; F288-F304 HydrophobicContact CD1-CE1 3.86Å; F288-F304 AromaticContact CD1-CZ 3.59Å; F288-F304 HydrophobicContact CD1-CZ 3.59Å; F288-F304 HydrophobicContact CD2-CE1 4.26Å; F288-F304 HydrophobicContact CE1-CE1 4.5Å; F288-F304 HydrophobicContact CE1-CZ 4.49Å; F288-F304 AromaticContact CG-CE1 3.72Å; F288-F304 HydrophobicContact CG-CE1 3.72Å; F288-F304 AromaticContact CG-CZ 3.67Å; F288-F304 HydrophobicContact CG-CZ 3.67Å; F288-L308 HydrophobicContact CE1-CD2 3.92Å; F288-L308 HydrophobicContact CZ-CD2 4.42Å
289	P	96.2	Very high	96.4	Very high	120 Å²	120	68.1 Å²	68.1	78%	0.779	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-14.7	-176.3	-25.3	35.2	0	0	0	114.9	F291	P289-F291 VanDerWaalsContact C-N 3.34Å
290	N	95.2	Very high	96.5	Very high	102 Å²	102	68.6 Å²	68.6	55%	0.545	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-1.7	174.9	64.1	-45.4	0	0	0	113.6	F288 T292	F288-N290 PolarHBondContact O-N 3.33Å; N290-T292 PolarHBondContact O-N 3.28Å
291	F	97.6	Very high	96.8	Very high	24 Å²	24	63.3 Å²	63.3	11%	0.105	34%	0.34	C	S	.	.			trans	-72.2	123.7	173.2	177.7	-103.7	0	0	0	110.5	I284 F288 P289 G293 C295 D300 V301 F304	I284-F291 HydrophobicContact CG2-CD1 3.65Å; I284-F291 HydrophobicContact CG2-CD2 4.1Å; I284-F291 HydrophobicContact CG2-CE1 3.7Å; I284-F291 HydrophobicContact CG2-CE2 4.15Å; I284-F291 HydrophobicContact CG2-CG 3.84Å; I284-F291 HydrophobicContact CG2-CZ 3.96Å; F288-F291 HydrophobicContact CB-CB 4.44Å; F288-F291 VanDerWaalsContact O-CB 3.25Å; F288-F291 WeakPolarHBondContact O-CB 3.15Å; F288-F291 PolarHBondContact O-N 3.14Å; P289-F291 VanDerWaalsContact C-N 3.34Å; F291-G293 VanDerWaalsContact CE1-C 3.41Å; F291-G293 WeakPolarHBondContact CE1-O 3.23Å; F291-G293 VanDerWaalsContact CZ-C 3.48Å; F291-C295 HydrophobicContact CE1-CB 3.83Å; F291-D300 HydrophobicContact CE2-CB 4.36Å; F291-D300 HydrophobicContact CZ-CB 4.13Å; F291-V301 HydrophobicContact CZ-CG2 4.21Å; F291-F304 HydrophobicContact CB-CD2 4.32Å; F291-F304 HydrophobicContact CB-CE2 4.26Å; F291-F304 HydrophobicContact CD2-CB 3.62Å; F291-F304 HydrophobicContact CD2-CD1 4.1Å; F291-F304 AromaticContact CD2-CD2 3.81Å; F291-F304 HydrophobicContact CD2-CD2 3.81Å; F291-F304 AromaticContact CD2-CG 3.56Å; F291-F304 HydrophobicContact CD2-CG 3.56Å; F291-F304 HydrophobicContact CE2-CB 3.79Å; F291-F304 HydrophobicContact CE2-CG 4.22Å
292	T	96.4	Very high	97.1	Very high	143 Å²	143	60 Å²	60	88%	0.877	32%	0.324	S	S	*	.			trans	-115.7	-0.5	-176.3	55	0	0	0	0	114	N290	N290-T292 PolarHBondContact O-N 3.28Å
293	G	96.4	Very high	97.2	Very high	34 Å²	34	64.8 Å²	64.8	35%	0.351	35%	0.349	S	S	.	.	S	Bend	trans	-83.3	-175.6	177.7	0	0	0	0	0	113.4	F291	F291-G293 VanDerWaalsContact CE1-C 3.41Å; F291-G293 WeakPolarHBondContact CE1-O 3.23Å; F291-G293 VanDerWaalsContact CZ-C 3.48Å
294	D	97.1	Very high	97.3	Very high	80 Å²	80	63.3 Å²	63.3	43%	0.428	34%	0.34	S	S	.	.			trans	-80.5	116.2	168.9	178	0.1	0	0	0	109.8	K296 R297 D300	D294-K296 PolarHBondContact O-N 3.07Å; D294-K296 PolarHBondContact OD1-N 3.04Å; D294-R297 HydrophobicContact CB-CB 3.87Å; D294-R297 PolarHBondContact O-N 3.39Å; D294-D300 WeakPolarHBondContact CB-OD2 3.26Å; D294-D300 PolarHBondContact N-OD2 3.16Å
295	C	96.3	Very high	97.3	Very high	23 Å²	23	63.3 Å²	63.3	16%	0.155	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.3	-177.5	64.9	0	0	0	0	113.6	D283 I284 F291	D283-C295 WeakPolarHBondContact OD1-CB 3.37Å; D283-C295 PolarHBondContact OD1-SG 2.99Å; D283-C295 VanDerWaalsContact OD1-SG 3.36Å; I284-C295 HydrophobicContact CG2-CB 4.15Å; F291-C295 HydrophobicContact CE1-CB 3.83Å
296	K	96.7	Very high	97.3	Very high	92 Å²	92	62.9 Å²	62.9	40%	0.4	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-5.9	174.9	-58.2	-57.9	178.6	-174.3	0	113.2	I279 D280 D294	I279-K296 WeakPolarHBondContact O-CD 3.26Å; I279-K296 PolarHBondContact O-NZ 3.08Å; D280-K296 PolarHBondContact O-NZ 3.45Å; D294-K296 PolarHBondContact O-N 3.07Å; D294-K296 PolarHBondContact OD1-N 3.04Å
297	R	97.6	Very high	97.4	Very high	136 Å²	136	59.6 Å²	59.6	51%	0.513	32%	0.322	S	S	.	.			trans	-99.4	109.3	179	-171.9	164.4	61.6	165.7	5.3	110.4	D294 A299 D300 V301	D294-R297 HydrophobicContact CB-CB 3.87Å; D294-R297 PolarHBondContact O-N 3.39Å; R297-A299 HydrophobicContact CG-CB 4.42Å; R297-A299 PolarHBondContact O-N 2.93Å; R297-A299 VanDerWaalsContact O-N 3.09Å; R297-D300 HydrophobicContact CB-CB 4.43Å; R297-D300 VanDerWaalsContact CZ-CG 3.46Å; R297-D300 IonicContact CZ-OD1 2.68Å; R297-D300 IonicContact CZ-OD2 2.71Å; R297-D300 IonicContact NE-OD1 3.68Å; R297-D300 PolarHBondContact NE-OD1 3.31Å; R297-D300 IonicContact NE-OD2 3.63Å; R297-D300 PolarHBondContact NE-OD2 3.41Å; R297-D300 IonicContact NH2-OD1 3.2Å; R297-D300 PolarHBondContact NH2-OD1 3.15Å; R297-D300 IonicContact NH2-OD2 3.01Å; R297-D300 PolarHBondContact NH2-OD2 2.92Å; R297-D300 PolarHBondContact O-N 3.38Å; R297-V301 PolarHBondContact O-N 3.07Å
298	L	97.7	Very high	97.4	Very high	46 Å²	46	55.7 Å²	55.7	24%	0.241	31%	0.307	C	S	.	.	H	α-helix	trans	-47.7	-43.8	-179.9	179.8	67.8	0	0	0	112.8	L275 I276 I279 D300 V301 Q302	L275-L298 HydrophobicContact CD2-CD1 3.98Å; L275-L298 HydrophobicContact CG-CD1 4Å; I276-L298 HydrophobicContact CD1-CD2 4.18Å; I276-L298 HydrophobicContact CG1-CD1 3.89Å; I276-L298 HydrophobicContact CG1-CD2 3.71Å; I276-L298 HydrophobicContact CG1-CG 4.41Å; I279-L298 HydrophobicContact CD1-CB 4.04Å; L298-D300 PolarHBondContact O-N 3Å; L298-V301 PolarHBondContact O-N 3.24Å; L298-Q302 HydrophobicContact CD1-CG 4.07Å; L298-Q302 HydrophobicContact CG-CG 4.14Å; L298-Q302 VanDerWaalsContact O-CB 3.31Å; L298-Q302 WeakPolarHBondContact O-CB 3.36Å; L298-Q302 VanDerWaalsContact O-CG 3.29Å; L298-Q302 WeakPolarHBondContact O-CG 3.35Å; L298-Q302 PolarHBondContact O-N 3.42Å
299	A	98.1	Very high	97.4	Very high	51 Å²	51	55.2 Å²	55.2	42%	0.421	31%	0.305	S	S	.	.	H	α-helix	trans	-61.1	-40	-178.6	0	0	0	0	0	112.9	R297 Q302 L303	R297-A299 HydrophobicContact CG-CB 4.42Å; R297-A299 PolarHBondContact O-N 2.93Å; R297-A299 VanDerWaalsContact O-N 3.09Å; A299-Q302 PolarHBondContact O-N 2.92Å; A299-L303 WeakPolarHBondContact O-CB 3.37Å; A299-L303 VanDerWaalsContact O-CG 3.25Å; A299-L303 WeakPolarHBondContact O-CG 3.18Å; A299-L303 PolarHBondContact O-N 3.14Å
300	D	98.3	Very high	97.4	Very high	23 Å²	23	53 Å²	53	12%	0.123	28%	0.284	C	S	.	.	H	α-helix	trans	-69.3	-42.7	178.8	-73.1	-1.9	0	0	0	111.2	F291 D294 R297 L298 Q302 L303 F304	F291-D300 HydrophobicContact CE2-CB 4.36Å; F291-D300 HydrophobicContact CZ-CB 4.13Å; D294-D300 WeakPolarHBondContact CB-OD2 3.26Å; D294-D300 PolarHBondContact N-OD2 3.16Å; R297-D300 HydrophobicContact CB-CB 4.43Å; R297-D300 VanDerWaalsContact CZ-CG 3.46Å; R297-D300 IonicContact CZ-OD1 2.68Å; R297-D300 IonicContact CZ-OD2 2.71Å; R297-D300 IonicContact NE-OD1 3.68Å; R297-D300 PolarHBondContact NE-OD1 3.31Å; R297-D300 IonicContact NE-OD2 3.63Å; R297-D300 PolarHBondContact NE-OD2 3.41Å; R297-D300 IonicContact NH2-OD1 3.2Å; R297-D300 PolarHBondContact NH2-OD1 3.15Å; R297-D300 IonicContact NH2-OD2 3.01Å; R297-D300 PolarHBondContact NH2-OD2 2.92Å; R297-D300 PolarHBondContact O-N 3.38Å; L298-D300 PolarHBondContact O-N 3Å; D300-Q302 VanDerWaalsContact C-N 3.34Å; D300-L303 PolarHBondContact O-N 2.88Å; D300-F304 WeakPolarHBondContact O-CB 3.34Å; D300-F304 PolarHBondContact O-N 2.73Å
301	V	98.4	Very high	97.5	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-61.3	-46	175.7	179.9	0	0	0	0	109.9	L275 I279 I284 F291 R297 L298 L303 F304 L305	L275-V301 HydrophobicContact CD1-CG1 4.01Å; L275-V301 HydrophobicContact CD2-CG1 4.43Å; I279-V301 HydrophobicContact CG2-CG2 4.21Å; I284-V301 HydrophobicContact CD1-CG1 3.87Å; I284-V301 HydrophobicContact CG2-CG2 4.25Å; F291-V301 HydrophobicContact CZ-CG2 4.21Å; R297-V301 PolarHBondContact O-N 3.07Å; L298-V301 PolarHBondContact O-N 3.24Å; V301-L303 PolarHBondContact O-N 3.04Å; V301-F304 PolarHBondContact O-N 2.94Å; V301-L305 HydrophobicContact CG1-CD1 4.37Å; V301-L305 HydrophobicContact CG1-CG 4.48Å; V301-L305 VanDerWaalsContact O-CG 3.26Å; V301-L305 WeakPolarHBondContact O-CG 3.39Å; V301-L305 PolarHBondContact O-N 3.42Å
302	Q	98.3	Very high	97.4	Very high	35 Å²	35	49.6 Å²	49.6	16%	0.164	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-43	177.1	-79.2	-173.7	-24.5	0	0	113	L275 L298 A299 D300 L305 L306 F324	L275-Q302 HydrophobicContact CD2-CG 4.27Å; L298-Q302 HydrophobicContact CD1-CG 4.07Å; L298-Q302 HydrophobicContact CG-CG 4.14Å; L298-Q302 VanDerWaalsContact O-CB 3.31Å; L298-Q302 WeakPolarHBondContact O-CB 3.36Å; L298-Q302 VanDerWaalsContact O-CG 3.29Å; L298-Q302 WeakPolarHBondContact O-CG 3.35Å; L298-Q302 PolarHBondContact O-N 3.42Å; A299-Q302 PolarHBondContact O-N 2.92Å; D300-Q302 VanDerWaalsContact C-N 3.34Å; Q302-L305 PolarHBondContact O-N 3Å; Q302-L306 WeakPolarHBondContact O-CB 3.18Å; Q302-L306 PolarHBondContact O-N 3.34Å; Q302-F324 HydrophobicContact CB-CE1 3.7Å; Q302-F324 HydrophobicContact CB-CE2 4.07Å; Q302-F324 HydrophobicContact CB-CZ 3.42Å; Q302-F324 VanDerWaalsContact CB-CZ 3.42Å; Q302-F324 HydrophobicContact CG-CD1 3.89Å; Q302-F324 HydrophobicContact CG-CE1 3.42Å; Q302-F324 VanDerWaalsContact CG-CE1 3.42Å; Q302-F324 HydrophobicContact CG-CE2 4.3Å; Q302-F324 HydrophobicContact CG-CZ 3.68Å
303	L	98	Very high	97.4	Very high	113 Å²	113	43.7 Å²	43.7	59%	0.592	23%	0.233	S	C	*	.	H	α-helix	trans	-64.5	-41.1	175.9	-75	171.7	0	0	0	111.8	A299 D300 V301 L306 D307	A299-L303 WeakPolarHBondContact O-CB 3.37Å; A299-L303 VanDerWaalsContact O-CG 3.25Å; A299-L303 WeakPolarHBondContact O-CG 3.18Å; A299-L303 PolarHBondContact O-N 3.14Å; D300-L303 PolarHBondContact O-N 2.88Å; V301-L303 PolarHBondContact O-N 3.04Å; L303-L306 WeakPolarHBondContact O-CB 3.47Å; L303-L306 PolarHBondContact O-N 3.25Å; L303-D307 PolarHBondContact O-N 3.37Å
304	F	98.4	Very high	97.2	Very high	22 Å²	22	46.1 Å²	46.1	10%	0.096	25%	0.249	C	C	.	.	H	α-helix	trans	-61.5	-47	174.1	171.2	-100.2	0	0	0	112	I284 F288 F291 D300 V301 L306 D307 L308	I284-F304 HydrophobicContact CD1-CD1 3.81Å; I284-F304 HydrophobicContact CD1-CE1 3.98Å; F288-F304 HydrophobicContact CB-CE1 3.87Å; F288-F304 HydrophobicContact CB-CE2 4.47Å; F288-F304 HydrophobicContact CB-CZ 3.54Å; F288-F304 AromaticContact CD1-CE1 3.86Å; F288-F304 HydrophobicContact CD1-CE1 3.86Å; F288-F304 AromaticContact CD1-CZ 3.59Å; F288-F304 HydrophobicContact CD1-CZ 3.59Å; F288-F304 HydrophobicContact CD2-CE1 4.26Å; F288-F304 HydrophobicContact CE1-CE1 4.5Å; F288-F304 HydrophobicContact CE1-CZ 4.49Å; F288-F304 AromaticContact CG-CE1 3.72Å; F288-F304 HydrophobicContact CG-CE1 3.72Å; F288-F304 AromaticContact CG-CZ 3.67Å; F288-F304 HydrophobicContact CG-CZ 3.67Å; F291-F304 HydrophobicContact CB-CD2 4.32Å; F291-F304 HydrophobicContact CB-CE2 4.26Å; F291-F304 HydrophobicContact CD2-CB 3.62Å; F291-F304 HydrophobicContact CD2-CD1 4.1Å; F291-F304 AromaticContact CD2-CD2 3.81Å; F291-F304 HydrophobicContact CD2-CD2 3.81Å; F291-F304 AromaticContact CD2-CG 3.56Å; F291-F304 HydrophobicContact CD2-CG 3.56Å; F291-F304 HydrophobicContact CE2-CB 3.79Å; F291-F304 HydrophobicContact CE2-CG 4.22Å; D300-F304 WeakPolarHBondContact O-CB 3.34Å; D300-F304 PolarHBondContact O-N 2.73Å; V301-F304 PolarHBondContact O-N 2.94Å; F304-L306 VanDerWaalsContact C-N 3.27Å; F304-L306 PolarHBondContact O-N 2.79Å; F304-D307 PolarHBondContact O-N 2.9Å; F304-L308 HydrophobicContact CE1-CD2 4.41Å; F304-L308 WeakPolarHBondContact O-CB 3.18Å; F304-L308 PolarHBondContact O-N 3.19Å
305	L	98.3	Very high	96.7	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.2	-43.2	175.7	-67.5	179.5	0	0	0	110.4	L244 L269 L275 I284 V301 Q302 L308 F309	L244-L305 HydrophobicContact CD1-CD2 4.26Å; L244-L305 HydrophobicContact CD2-CD2 3.26Å; L244-L305 HydrophobicContact CG-CD2 4.36Å; L269-L305 HydrophobicContact CD2-CB 3.84Å; L275-L305 HydrophobicContact CD2-CD1 3.93Å; I284-L305 HydrophobicContact CD1-CD2 4.38Å; V301-L305 HydrophobicContact CG1-CD1 4.37Å; V301-L305 HydrophobicContact CG1-CG 4.48Å; V301-L305 VanDerWaalsContact O-CG 3.26Å; V301-L305 WeakPolarHBondContact O-CG 3.39Å; V301-L305 PolarHBondContact O-N 3.42Å; Q302-L305 PolarHBondContact O-N 3Å; L305-L308 WeakPolarHBondContact O-CB 3.5Å; L305-L308 PolarHBondContact O-N 3.09Å; L305-F309 VanDerWaalsContact O-CD2 3.25Å; L305-F309 WeakPolarHBondContact O-CD2 3.32Å; L305-F309 PolarHBondContact O-N 2.78Å
306	L	97.6	Very high	96.3	Very high	14 Å²	14	51.4 Å²	51.4	7%	0.073	26%	0.263	C	S	.	.	H	α-helix	trans	-59.3	-50.2	178.4	-172.1	67	0	0	0	112	L269 Q302 L303 F304 L308 F309 E310 F320 Y322	L269-L306 HydrophobicContact CD1-CD1 4.4Å; Q302-L306 WeakPolarHBondContact O-CB 3.18Å; Q302-L306 PolarHBondContact O-N 3.34Å; L303-L306 WeakPolarHBondContact O-CB 3.47Å; L303-L306 PolarHBondContact O-N 3.25Å; F304-L306 VanDerWaalsContact C-N 3.27Å; F304-L306 PolarHBondContact O-N 2.79Å; L306-L308 VanDerWaalsContact C-N 3.3Å; L306-L308 PolarHBondContact O-N 3.15Å; L306-F309 PolarHBondContact O-N 2.61Å; L306-E310 WeakPolarHBondContact O-CB 3.18Å; L306-E310 PolarHBondContact O-N 3.06Å; L306-F320 HydrophobicContact CD1-CD1 4.06Å; L306-F320 HydrophobicContact CD1-CE1 3.22Å; L306-F320 HydrophobicContact CD1-CZ 3.82Å; L306-F320 HydrophobicContact CG-CD1 4.48Å; L306-F320 HydrophobicContact CG-CE1 3.75Å; L306-Y322 HydrophobicContact CD1-CD1 3.55Å; L306-Y322 HydrophobicContact CD1-CD2 3.5Å; L306-Y322 HydrophobicContact CD1-CE1 3.82Å; L306-Y322 HydrophobicContact CD1-CE2 3.78Å; L306-Y322 HydrophobicContact CD1-CG 3.37Å; L306-Y322 HydrophobicContact CD2-CD1 4.34Å; L306-Y322 HydrophobicContact CD2-CD2 4.4Å; L306-Y322 HydrophobicContact CD2-CE1 3.73Å; L306-Y322 HydrophobicContact CD2-CE2 3.81Å; L306-Y322 VanDerWaalsContact CD2-CZ 3.42Å; L306-Y322 HydrophobicContact CG-CE1 4.39Å; L306-Y322 HydrophobicContact CG-CE2 4.45Å
307	D	97.4	Very high	95.7	Very high	91 Å²	91	52 Å²	52	49%	0.487	28%	0.278	S	S	.	.	H	α-helix	trans	-61.4	-37.6	177.4	179.5	68.6	0	0	0	112.3	L303 F304 F309 E310 S311	L303-D307 PolarHBondContact O-N 3.37Å; F304-D307 PolarHBondContact O-N 2.9Å; D307-F309 PolarHBondContact O-N 2.83Å; D307-E310 PolarHBondContact O-N 2.71Å; D307-S311 WeakPolarHBondContact O-CB 3.33Å; D307-S311 PolarHBondContact O-N 3.36Å; D307-S311 PolarHBondContact O-OG 3.34Å
308	L	97.7	Very high	95	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.052	26%	0.263	C	S	.	.	H	α-helix	trans	-57	-35.2	178.7	-174.6	65.9	0	0	0	112.5	L244 M245 R248 F288 F304 L305 L306 S311	L244-L308 HydrophobicContact CD2-CD2 3.79Å; L244-L308 HydrophobicContact CG-CD2 4.04Å; M245-L308 HydrophobicContact SD-CD1 4.48Å; R248-L308 HydrophobicContact CG-CG 4.46Å; R248-L308 PolarHBondContact NE-O 2.99Å; F288-L308 HydrophobicContact CE1-CD2 3.92Å; F288-L308 HydrophobicContact CZ-CD2 4.42Å; F304-L308 HydrophobicContact CE1-CD2 4.41Å; F304-L308 WeakPolarHBondContact O-CB 3.18Å; F304-L308 PolarHBondContact O-N 3.19Å; L305-L308 WeakPolarHBondContact O-CB 3.5Å; L305-L308 PolarHBondContact O-N 3.09Å; L306-L308 VanDerWaalsContact C-N 3.3Å; L306-L308 PolarHBondContact O-N 3.15Å; L308-S311 PolarHBondContact O-OG 3.45Å
309	F	97.7	Very high	94.5	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-94.5	-32.5	176.7	-70.2	-91.6	0	0	0	113	I226 L244 R248 Y251 L267 L305 L306 D307 S311 V312 F320	I226-F309 HydrophobicContact CB-CZ 4.26Å; I226-F309 HydrophobicContact CD1-CD2 3.75Å; I226-F309 HydrophobicContact CD1-CE1 4.22Å; I226-F309 HydrophobicContact CD1-CE2 3.25Å; I226-F309 HydrophobicContact CD1-CG 4.47Å; I226-F309 HydrophobicContact CD1-CZ 3.52Å; I226-F309 HydrophobicContact CG1-CZ 4.49Å; I226-F309 HydrophobicContact CG2-CD1 4.44Å; I226-F309 HydrophobicContact CG2-CE1 3.68Å; I226-F309 HydrophobicContact CG2-CZ 3.78Å; L244-F309 HydrophobicContact CD1-CE2 3.86Å; L244-F309 HydrophobicContact CD1-CZ 3.89Å; L244-F309 HydrophobicContact CG-CE2 4.5Å; R248-F309 VanDerWaalsContact CA-CE1 3.47Å; R248-F309 HydrophobicContact CB-CE1 3.99Å; R248-F309 HydrophobicContact CB-CZ 4.18Å; Y251-F309 HydrophobicContact CD1-CB 4.28Å; Y251-F309 AromaticContact CD1-CD1 3.75Å; Y251-F309 HydrophobicContact CD1-CD1 3.75Å; Y251-F309 HydrophobicContact CD2-CD1 4.25Å; Y251-F309 HydrophobicContact CE1-CB 4.12Å; Y251-F309 HydrophobicContact CE1-CD1 4.39Å; Y251-F309 WeakPolarHBondContact CE1-O 3.49Å; Y251-F309 AromaticContact CG-CD1 3.67Å; Y251-F309 HydrophobicContact CG-CD1 3.67Å; Y251-F309 HydrophobicContact CG-CE1 4.34Å; L267-F309 HydrophobicContact CD2-CB 3.73Å; L267-F309 HydrophobicContact CD2-CG 4.06Å; L305-F309 VanDerWaalsContact O-CD2 3.25Å; L305-F309 WeakPolarHBondContact O-CD2 3.32Å; L305-F309 PolarHBondContact O-N 2.78Å; L306-F309 PolarHBondContact O-N 2.61Å; D307-F309 PolarHBondContact O-N 2.83Å; F309-S311 VanDerWaalsContact C-N 3.34Å; F309-V312 VanDerWaalsContact O-CG2 3.23Å; F309-V312 WeakPolarHBondContact O-CG2 3.47Å; F309-F320 HydrophobicContact CB-CZ 4.48Å
310	E	96.8	Very high	94.2	Very high	73 Å²	73	48 Å²	48	34%	0.341	26%	0.262	S	S	.	.	H	α-helix	trans	-64.8	-41.5	176.2	-167.8	165.2	-159.6	0	0	111.8	L306 D307 V312 R313 F320	L306-E310 WeakPolarHBondContact O-CB 3.18Å; L306-E310 PolarHBondContact O-N 3.06Å; D307-E310 PolarHBondContact O-N 2.71Å; E310-V312 PolarHBondContact O-N 3.01Å; E310-V312 VanDerWaalsContact O-N 3.14Å; E310-R313 WeakPolarHBondContact O-CB 3.47Å; E310-R313 WeakPolarHBondContact O-CG 3.26Å; E310-R313 PolarHBondContact O-N 2.85Å; E310-F320 HydrophobicContact CB-CD1 3.88Å; E310-F320 HydrophobicContact CB-CE1 3.5Å; E310-F320 VanDerWaalsContact CB-CE1 3.5Å; E310-F320 HydrophobicContact CB-CZ 4.05Å; E310-F320 VanDerWaalsContact CD-CD1 3.43Å; E310-F320 HydrophobicContact CG-CD1 3.69Å; E310-F320 HydrophobicContact CG-CE1 3.88Å; E310-F320 HydrophobicContact CG-CG 4.24Å
311	S	96.3	Very high	94	Very high	41 Å²	41	49.7 Å²	49.7	29%	0.287	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.7	-173.9	57.9	0	0	0	0	114.4	D307 L308 F309	D307-S311 WeakPolarHBondContact O-CB 3.33Å; D307-S311 PolarHBondContact O-N 3.36Å; D307-S311 PolarHBondContact O-OG 3.34Å; L308-S311 PolarHBondContact O-OG 3.45Å; F309-S311 VanDerWaalsContact C-N 3.34Å
312	V	96.5	Very high	94	Very high	13 Å²	13	54.1 Å²	54.1	8%	0.079	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-3.2	-179.5	-61.6	0	0	0	0	114	R248 Y251 E252 N256 F309 E310 A314	R248-V312 HydrophobicContact CG-CG1 4.3Å; Y251-V312 HydrophobicContact CD1-CG2 3.69Å; Y251-V312 HydrophobicContact CE1-CG2 3.9Å; E252-V312 HydrophobicContact CB-CB 3.98Å; E252-V312 HydrophobicContact CB-CG1 4.48Å; E252-V312 HydrophobicContact CB-CG2 3.96Å; E252-V312 HydrophobicContact CG-CB 3.93Å; E252-V312 HydrophobicContact CG-CG1 4.47Å; E252-V312 HydrophobicContact CG-CG2 4.42Å; N256-V312 PolarHBondContact ND2-O 3.38Å; F309-V312 VanDerWaalsContact O-CG2 3.23Å; F309-V312 WeakPolarHBondContact O-CG2 3.47Å; E310-V312 PolarHBondContact O-N 3.01Å; E310-V312 VanDerWaalsContact O-N 3.14Å; V312-A314 PolarHBondContact O-N 2.99Å
313	R	94.9	Very high	93.9	Very high	20 Å²	20	54.2 Å²	54.2	8%	0.075	29%	0.285	C	S	.	.			trans	-75.7	118.3	178	-62.2	173.3	66	-135.3	-2.7	110	Y251 V255 E310 N315 Q318 P319 F320	Y251-R313 HydrophobicContact CE1-CG 4.08Å; Y251-R313 WeakPolarHBondContact OH-CD 3.25Å; V255-R313 HydrophobicContact CG1-CG 4.24Å; V255-R313 HydrophobicContact CG2-CG 4.15Å; E310-R313 WeakPolarHBondContact O-CB 3.47Å; E310-R313 WeakPolarHBondContact O-CG 3.26Å; E310-R313 PolarHBondContact O-N 2.85Å; R313-N315 PolarHBondContact NH2-O 3.16Å; R313-Q318 PolarHBondContact NH1-O 3.12Å; R313-Q318 PolarHBondContact NH2-O 3.11Å; R313-P319 PolarHBondContact NH2-O 3.21Å; R313-F320 VanDerWaalsContact NH1-CB 3.28Å
314	A	92.6	Very high	93.9	Very high	84 Å²	84	51.2 Å²	51.2	69%	0.694	27%	0.268	S	S	*	.	S	Bend	trans	-69.4	-39.6	174.1	0	0	0	0	0	111.4	N256 V312 R316	N256-A314 VanDerWaalsContact OD1-CB 3.24Å; N256-A314 WeakPolarHBondContact OD1-CB 3.29Å; N256-A314 PolarHBondContact OD1-N 3.32Å; V312-A314 PolarHBondContact O-N 2.99Å; A314-R316 PolarHBondContact O-N 2.98Å
315	N	87.5	Confident	93.9	Very high	37 Å²	37	50.2 Å²	50.2	20%	0.198	26%	0.263	C	S	.	.			trans	-90.1	91.5	178.8	-170.4	-4.1	0	0	0	111.7	Y261 R313 S317	Y261-N315 WeakPolarHBondContact CE2-ND2 3.43Å; R313-N315 PolarHBondContact NH2-O 3.16Å; N315-S317 PolarHBondContact OD1-N 3.27Å; N315-S317 VanDerWaalsContact OD1-N 3.13Å; N315-S317 PolarHBondContact OD1-OG 3.35Å
316	R	87.2	Confident	93.9	Very high	178 Å²	178	51.1 Å²	51.1	67%	0.672	27%	0.269	S	S	*	.			trans	-82.1	-7	176.5	-61.9	-163.8	179.1	-143.3	0.5	114.6	A314	A314-R316 PolarHBondContact O-N 2.98Å
317	S	85.3	Confident	93.9	Very high	103 Å²	103	50.7 Å²	50.7	72%	0.72	27%	0.268	S	S	*	.	S	Bend	trans	-80.2	-21.7	176.6	70.3	0	0	0	0	112.7	N315	N315-S317 PolarHBondContact OD1-N 3.27Å; N315-S317 VanDerWaalsContact OD1-N 3.13Å; N315-S317 PolarHBondContact OD1-OG 3.35Å
318	Q	82.8	Confident	93.9	Very high	41 Å²	41	48.1 Å²	48.1	19%	0.192	25%	0.253	C	S	.	.	S	Bend	trans	-78.2	139.4	172.4	-76.6	-172.6	2	0	0	111.5	Y261 R313	Y261-Q318 PolarHBondContact O-NE2 3.13Å; R313-Q318 PolarHBondContact NH1-O 3.12Å; R313-Q318 PolarHBondContact NH2-O 3.11Å
319	P	86.9	Confident	93.9	Very high	78 Å²	78	50.7 Å²	50.7	51%	0.506	27%	0.267	S	S	.	.			trans	-59.4	141.2	175.5	24.1	-33.5	0	0	0	111.6	R313 F321	R313-P319 PolarHBondContact NH2-O 3.21Å; P319-F321 HydrophobicContact CB-CE1 4.16Å; P319-F321 HydrophobicContact CB-CE2 3.96Å; P319-F321 HydrophobicContact CB-CZ 3.74Å; P319-F321 HydrophobicContact CG-CD2 4.32Å; P319-F321 HydrophobicContact CG-CE1 4.36Å; P319-F321 HydrophobicContact CG-CE2 3.44Å; P319-F321 VanDerWaalsContact CG-CE2 3.44Å; P319-F321 HydrophobicContact CG-CZ 3.46Å; P319-F321 VanDerWaalsContact CG-CZ 3.46Å; P319-F321 PolarHBondContact O-N 3Å
320	F	91.9	Very high	93.9	Very high	31 Å²	31	52.3 Å²	52.3	14%	0.136	28%	0.277	C	S	.	.			trans	-89.9	98.5	175.4	-169.1	-148.3	0	0	0	110.1	Y251 L267 L306 F309 E310 R313 Y322	Y251-F320 WeakPolarHBondContact OH-CE2 3.43Å; L267-F320 HydrophobicContact CB-CE2 4.29Å; L267-F320 HydrophobicContact CD2-CE2 4Å; L267-F320 HydrophobicContact CD2-CZ 3.68Å; L306-F320 HydrophobicContact CD1-CD1 4.06Å; L306-F320 HydrophobicContact CD1-CE1 3.22Å; L306-F320 HydrophobicContact CD1-CZ 3.82Å; L306-F320 HydrophobicContact CG-CD1 4.48Å; L306-F320 HydrophobicContact CG-CE1 3.75Å; F309-F320 HydrophobicContact CB-CZ 4.48Å; E310-F320 HydrophobicContact CB-CD1 3.88Å; E310-F320 HydrophobicContact CB-CE1 3.5Å; E310-F320 VanDerWaalsContact CB-CE1 3.5Å; E310-F320 HydrophobicContact CB-CZ 4.05Å; E310-F320 VanDerWaalsContact CD-CD1 3.43Å; E310-F320 HydrophobicContact CG-CD1 3.69Å; E310-F320 HydrophobicContact CG-CE1 3.88Å; E310-F320 HydrophobicContact CG-CG 4.24Å; R313-F320 VanDerWaalsContact NH1-CB 3.28Å; F320-Y322 AromaticContact CD1-CD1 4Å; F320-Y322 HydrophobicContact CD1-CD1 4Å; F320-Y322 HydrophobicContact CD1-CE1 4.48Å; F320-Y322 HydrophobicContact CE1-CD1 4.22Å; F320-Y322 HydrophobicContact CG-CD1 4.45Å
321	F	94.5	Very high	93.9	Very high	58 Å²	58	53.4 Å²	53.4	25%	0.254	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124.7	176.6	-60.4	-66.2	0	0	0	110.6	I266 L267 P319 I343	I266-F321 HydrophobicContact CB-CB 4.44Å; I266-F321 HydrophobicContact CG1-CB 4.08Å; I266-F321 HydrophobicContact CG2-CB 4.34Å; L267-F321 PolarHBondContact N-O 2.82Å; P319-F321 HydrophobicContact CB-CE1 4.16Å; P319-F321 HydrophobicContact CB-CE2 3.96Å; P319-F321 HydrophobicContact CB-CZ 3.74Å; P319-F321 HydrophobicContact CG-CD2 4.32Å; P319-F321 HydrophobicContact CG-CE1 4.36Å; P319-F321 HydrophobicContact CG-CE2 3.44Å; P319-F321 VanDerWaalsContact CG-CE2 3.44Å; P319-F321 HydrophobicContact CG-CZ 3.46Å; P319-F321 VanDerWaalsContact CG-CZ 3.46Å; P319-F321 PolarHBondContact O-N 3Å; F321-I343 HydrophobicContact CB-CD1 4.47Å; F321-I343 HydrophobicContact CD1-CD1 3.49Å; F321-I343 VanDerWaalsContact CD1-CD1 3.49Å; F321-I343 HydrophobicContact CD1-CG1 4.22Å; F321-I343 HydrophobicContact CD1-CG2 4.42Å; F321-I343 HydrophobicContact CD2-CG2 3.92Å; F321-I343 HydrophobicContact CE1-CD1 3.77Å; F321-I343 HydrophobicContact CE1-CG1 3.99Å; F321-I343 HydrophobicContact CE1-CG2 4.18Å; F321-I343 HydrophobicContact CE2-CG2 3.62Å; F321-I343 HydrophobicContact CG-CD1 3.99Å; F321-I343 HydrophobicContact CG-CG2 4.29Å; F321-I343 HydrophobicContact CZ-CD1 4.46Å; F321-I343 HydrophobicContact CZ-CG1 4.35Å; F321-I343 HydrophobicContact CZ-CG2 3.77Å
322	Y	96.7	Very high	94	Very high	94 Å²	94	52.7 Å²	52.7	37%	0.369	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	154.4	178.2	68.6	-86.6	0	0	0	112.3	L267 L269 L306 F320 F324	L267-Y322 CarbonylContact O-C 3.47Å; L267-Y322 WeakPolarHBondContact O-CA 3.37Å; L269-Y322 HydrophobicContact CD1-CD2 4.16Å; L269-Y322 HydrophobicContact CD1-CG 4.48Å; L306-Y322 HydrophobicContact CD1-CD1 3.55Å; L306-Y322 HydrophobicContact CD1-CD2 3.5Å; L306-Y322 HydrophobicContact CD1-CE1 3.82Å; L306-Y322 HydrophobicContact CD1-CE2 3.78Å; L306-Y322 HydrophobicContact CD1-CG 3.37Å; L306-Y322 HydrophobicContact CD2-CD1 4.34Å; L306-Y322 HydrophobicContact CD2-CD2 4.4Å; L306-Y322 HydrophobicContact CD2-CE1 3.73Å; L306-Y322 HydrophobicContact CD2-CE2 3.81Å; L306-Y322 VanDerWaalsContact CD2-CZ 3.42Å; L306-Y322 HydrophobicContact CG-CE1 4.39Å; L306-Y322 HydrophobicContact CG-CE2 4.45Å; F320-Y322 AromaticContact CD1-CD1 4Å; F320-Y322 HydrophobicContact CD1-CD1 4Å; F320-Y322 HydrophobicContact CD1-CE1 4.48Å; F320-Y322 HydrophobicContact CE1-CD1 4.22Å; F320-Y322 HydrophobicContact CG-CD1 4.45Å; Y322-F324 HydrophobicContact CD2-CE2 4.24Å; Y322-F324 HydrophobicContact CE2-CE2 4Å
323	H	97.8	Very high	94	Very high	37 Å²	37	52.1 Å²	52.1	17%	0.171	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	137.5	171.9	-67	-88.8	0	0	0	110.9	L267 F268 L269 T325 V336 D339	L267-H323 PolarHBondContact O-N 3.34Å; F268-H323 WeakPolarHBondContact CA-O 3.41Å; F268-H323 HydrophobicContact CD1-CB 4.05Å; F268-H323 HydrophobicContact CE1-CB 4.01Å; F268-H323 AromaticContact CE1-CD2 3.91Å; L269-H323 PolarHBondContact N-O 3.07Å; H323-T325 HydrophobicContact CB-CG2 4Å; H323-V336 HydrophobicContact CB-CG1 3.59Å; H323-V336 HydrophobicContact CB-CG2 4.24Å; H323-D339 IonicContact CE1-OD2 2.79Å
324	F	97.9	Very high	94.1	Very high	50 Å²	50	56.3 Å²	56.3	22%	0.219	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	123.9	163.4	-67.5	-78.3	0	0	0	109	L269 Q302 Y322	L269-F324 HydrophobicContact CB-CD1 3.46Å; L269-F324 VanDerWaalsContact CB-CD1 3.46Å; L269-F324 HydrophobicContact CB-CE1 3.59Å; L269-F324 HydrophobicContact CB-CG 4.3Å; L269-F324 HydrophobicContact CD1-CD1 4.44Å; L269-F324 HydrophobicContact CD1-CE1 4.12Å; L269-F324 HydrophobicContact CD1-CZ 4.24Å; L269-F324 HydrophobicContact CD2-CD1 4.33Å; L269-F324 HydrophobicContact CD2-CE1 3.53Å; L269-F324 HydrophobicContact CD2-CZ 3.98Å; L269-F324 HydrophobicContact CG-CD1 4.27Å; L269-F324 HydrophobicContact CG-CE1 3.92Å; L269-F324 HydrophobicContact CG-CZ 4.47Å; L269-F324 WeakPolarHBondContact O-CA 3.42Å; Q302-F324 HydrophobicContact CB-CE1 3.7Å; Q302-F324 HydrophobicContact CB-CE2 4.07Å; Q302-F324 HydrophobicContact CB-CZ 3.42Å; Q302-F324 VanDerWaalsContact CB-CZ 3.42Å; Q302-F324 HydrophobicContact CG-CD1 3.89Å; Q302-F324 HydrophobicContact CG-CE1 3.42Å; Q302-F324 VanDerWaalsContact CG-CE1 3.42Å; Q302-F324 HydrophobicContact CG-CE2 4.3Å; Q302-F324 HydrophobicContact CG-CZ 3.68Å; Y322-F324 HydrophobicContact CD2-CE2 4.24Å; Y322-F324 HydrophobicContact CE2-CE2 4Å
325	T	98.3	Very high	94.3	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.006	28%	0.283	C	S	.	.			trans	-128.5	155.4	-171.6	58.3	0	0	0	0	112.2	F268 L269 N270 K271 T272 H323 N332 I333 V336	F268-T325 HydrophobicContact CB-CG2 4.38Å; F268-T325 HydrophobicContact CD1-CG2 4.15Å; F268-T325 HydrophobicContact CD2-CG2 3.79Å; F268-T325 HydrophobicContact CE1-CG2 4.38Å; F268-T325 HydrophobicContact CE2-CG2 4.05Å; F268-T325 HydrophobicContact CG-CG2 3.85Å; F268-T325 HydrophobicContact CZ-CG2 4.36Å; L269-T325 PolarHBondContact O-N 2.9Å; N270-T325 CarbonylContact C-O 3.4Å; N270-T325 WeakPolarHBondContact CA-O 3.27Å; N270-T325 WeakPolarHBondContact CA-OG1 3.43Å; N270-T325 WeakPolarHBondContact CB-OG1 3.32Å; N270-T325 PolarHBondContact OD1-O 3.37Å; N270-T325 PolarHBondContact OD1-OG1 2.84Å; K271-T325 PolarHBondContact N-O 3.32Å; K271-T325 VanDerWaalsContact N-O 3.11Å; T272-T325 WeakPolarHBondContact CB-O 3.36Å; T272-T325 PolarHBondContact N-O 3.35Å; T272-T325 VanDerWaalsContact N-O 3.08Å; T272-T325 PolarHBondContact OG1-N 2.84Å; T272-T325 PolarHBondContact OG1-O 3.46Å; H323-T325 HydrophobicContact CB-CG2 4Å; T325-N332 VanDerWaalsContact CA-OD1 3.31Å; T325-N332 WeakPolarHBondContact CA-OD1 3.12Å; T325-I333 HydrophobicContact CG2-CD1 4.41Å; T325-V336 HydrophobicContact CG2-CB 4.36Å; T325-V336 HydrophobicContact CG2-CG1 3.85Å; T325-V336 HydrophobicContact CG2-CG2 4.14Å
326	T	98.1	Very high	94.6	Very high	20 Å²	20	57.7 Å²	57.7	12%	0.123	28%	0.276	C	S	.	.			trans	-129.4	95.5	167.8	-65.1	0	0	0	0	106.6	D273 I328 D329 N332	D273-T326 HydrophobicContact CB-CG2 3.87Å; D273-T326 PolarHBondContact N-OG1 3.02Å; D273-T326 WeakPolarHBondContact OD1-CG2 3.46Å; T326-I328 HydrophobicContact CG2-CD1 4.49Å; T326-I328 HydrophobicContact CG2-CG1 3.62Å; T326-I328 PolarHBondContact O-N 3.49Å; T326-D329 HydrophobicContact CG2-CB 3.83Å; T326-D329 WeakPolarHBondContact O-CB 3.43Å; T326-D329 PolarHBondContact O-N 2.86Å; T326-N332 PolarHBondContact N-OD1 3Å
327	A	97.1	Very high	95	Very high	5 Å²	5	49.5 Å²	49.5	4%	0.041	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.4	-172.6	0	0	0	0	0	114.5	T53 Q57 N270 D329	T53-A327 HydrophobicContact CG2-CB 3.69Å; Q57-A327 WeakPolarHBondContact CG-O 3.29Å; Q57-A327 PolarHBondContact NE2-O 2.96Å; N270-A327 WeakPolarHBondContact OD1-CB 3.17Å; N270-A327 PolarHBondContact OD1-N 3.37Å; A327-D329 VanDerWaalsContact C-N 3.34Å
328	I	96.8	Very high	95.4	Very high	36 Å²	36	50.2 Å²	50.2	19%	0.185	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-8.3	175.1	64.9	169.5	0	0	0	113.3	T53 L176 L177 D273 T326	T53-I328 HydrophobicContact CG2-CG2 4.17Å; L176-I328 HydrophobicContact CB-CG2 4.35Å; L177-I328 HydrophobicContact CD2-CD1 4.04Å; L177-I328 HydrophobicContact CD2-CG2 3.85Å; L177-I328 HydrophobicContact CG-CG2 4.13Å; D273-I328 WeakPolarHBondContact OD2-CD1 3.27Å; T326-I328 HydrophobicContact CG2-CD1 4.49Å; T326-I328 HydrophobicContact CG2-CG1 3.62Å; T326-I328 PolarHBondContact O-N 3.49Å
329	D	97.7	Very high	95.8	Very high	64 Å²	64	51.2 Å²	51.2	34%	0.342	24%	0.239	S	C	.	.			trans	-98.4	108	175.4	176.7	-10.9	0	0	0	109.3	T326 A327 D331 N332 I333	T326-D329 HydrophobicContact CG2-CB 3.83Å; T326-D329 WeakPolarHBondContact O-CB 3.43Å; T326-D329 PolarHBondContact O-N 2.86Å; A327-D329 VanDerWaalsContact C-N 3.34Å; D329-D331 VanDerWaalsContact C-N 3.29Å; D329-D331 PolarHBondContact O-N 3.14Å; D329-D331 WeakPolarHBondContact OD1-CA 3.49Å; D329-D331 PolarHBondContact OD1-N 2.68Å; D329-N332 HydrophobicContact CB-CB 3.81Å; D329-N332 PolarHBondContact O-N 3.24Å; D329-N332 PolarHBondContact OD1-N 3.28Å; D329-I333 WeakPolarHBondContact O-CG1 3.38Å; D329-I333 PolarHBondContact O-N 3.46Å
330	T	97.5	Very high	96.1	Very high	35 Å²	35	47.6 Å²	47.6	22%	0.215	22%	0.216	C	C	.	.	H	α-helix	trans	-65.7	-31.2	-177.7	-58.8	0	0	0	0	112.3	Q57 I60 I61 R334	Q57-T330 PolarHBondContact NE2-OG1 3.28Å; Q57-T330 PolarHBondContact OE1-OG1 3.23Å; I60-T330 HydrophobicContact CG2-CG2 4.11Å; I61-T330 HydrophobicContact CD1-CG2 4.07Å; I61-T330 HydrophobicContact CG1-CG2 3.72Å; T330-R334 VanDerWaalsContact O-CB 3.27Å; T330-R334 WeakPolarHBondContact O-CB 3.47Å; T330-R334 PolarHBondContact O-N 3Å
331	D	97.5	Very high	96	Very high	95 Å²	95	47.3 Å²	47.3	51%	0.508	21%	0.214	S	C	.	.	H	α-helix	trans	-77.2	-36.2	179	-68.5	-24.9	0	0	0	111.7	D329 R334 R335	D329-D331 VanDerWaalsContact C-N 3.29Å; D329-D331 PolarHBondContact O-N 3.14Å; D329-D331 WeakPolarHBondContact OD1-CA 3.49Å; D329-D331 PolarHBondContact OD1-N 2.68Å; D331-R334 IonicContact OD1-CZ 2.69Å; D331-R334 IonicContact OD1-NH1 3.43Å; D331-R334 PolarHBondContact OD1-NH1 3.18Å; D331-R335 WeakPolarHBondContact O-CG 3.43Å; D331-R335 PolarHBondContact O-N 2.99Å; D331-R335 VanDerWaalsContact O-N 3.16Å; D331-R335 PolarHBondContact O-NE 3.41Å
332	N	97.7	Very high	95.7	Very high	26 Å²	26	50.3 Å²	50.3	14%	0.139	23%	0.229	C	C	.	.	H	α-helix	trans	-58.3	-53.2	168.6	178.9	-95.1	0	0	0	110.6	T325 T326 D329 R334 R335 V336	T325-N332 VanDerWaalsContact CA-OD1 3.31Å; T325-N332 WeakPolarHBondContact CA-OD1 3.12Å; T326-N332 PolarHBondContact N-OD1 3Å; D329-N332 HydrophobicContact CB-CB 3.81Å; D329-N332 PolarHBondContact O-N 3.24Å; D329-N332 PolarHBondContact OD1-N 3.28Å; N332-R334 PolarHBondContact O-N 2.91Å; N332-R335 PolarHBondContact O-N 3.39Å; N332-V336 WeakPolarHBondContact O-CG2 3.39Å; N332-V336 PolarHBondContact O-N 2.82Å
333	I	98	Very high	95.2	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-65.4	-37.7	-178.3	-65.1	-53.4	0	0	0	112.3	F54 Q57 M58 I61 T325 D329 R335 F337	F54-I333 HydrophobicContact CD2-CD1 4.17Å; F54-I333 HydrophobicContact CD2-CG2 3.98Å; F54-I333 HydrophobicContact CE2-CG2 3.88Å; Q57-I333 HydrophobicContact CB-CB 4.4Å; Q57-I333 HydrophobicContact CB-CG2 3.83Å; Q57-I333 HydrophobicContact CG-CB 4.4Å; Q57-I333 HydrophobicContact CG-CG1 4.21Å; Q57-I333 HydrophobicContact CG-CG2 4.33Å; M58-I333 HydrophobicContact CE-CG2 3.71Å; I61-I333 HydrophobicContact CD1-CB 4.18Å; I61-I333 HydrophobicContact CD1-CG2 3.79Å; T325-I333 HydrophobicContact CG2-CD1 4.41Å; D329-I333 WeakPolarHBondContact O-CG1 3.38Å; D329-I333 PolarHBondContact O-N 3.46Å; I333-R335 VanDerWaalsContact C-N 3.34Å; I333-R335 PolarHBondContact O-N 3.29Å; I333-F337 WeakPolarHBondContact O-CB 3.34Å; I333-F337 PolarHBondContact O-N 3.25Å
334	R	96.6	Very high	94.7	Very high	109 Å²	109	46 Å²	46	41%	0.411	21%	0.213	S	C	.	.	H	α-helix	trans	-61.3	-42.1	176.1	-169.7	-177.8	-63.9	102.4	-5.3	112.1	I61 T330 D331 N332 R338	I61-R334 HydrophobicContact CD1-CB 4.14Å; I61-R334 HydrophobicContact CG2-CG 4.15Å; T330-R334 VanDerWaalsContact O-CB 3.27Å; T330-R334 WeakPolarHBondContact O-CB 3.47Å; T330-R334 PolarHBondContact O-N 3Å; D331-R334 IonicContact OD1-CZ 2.69Å; D331-R334 IonicContact OD1-NH1 3.43Å; D331-R334 PolarHBondContact OD1-NH1 3.18Å; N332-R334 PolarHBondContact O-N 2.91Å; R334-R338 PolarHBondContact O-N 3.37Å
335	R	96.2	Very high	94.1	Very high	138 Å²	138	45.4 Å²	45.4	52%	0.521	21%	0.212	S	C	.	.	H	α-helix	trans	-67.7	-52.6	177.7	-72.9	-176	-70.3	177.9	-1.7	111.2	D331 N332 I333 F337 R338 D339	D331-R335 WeakPolarHBondContact O-CG 3.43Å; D331-R335 PolarHBondContact O-N 2.99Å; D331-R335 VanDerWaalsContact O-N 3.16Å; D331-R335 PolarHBondContact O-NE 3.41Å; N332-R335 PolarHBondContact O-N 3.39Å; I333-R335 VanDerWaalsContact C-N 3.34Å; I333-R335 PolarHBondContact O-N 3.29Å; R335-F337 VanDerWaalsContact C-N 3.34Å; R335-F337 PolarHBondContact O-N 3.49Å; R335-R338 WeakPolarHBondContact O-CB 3.4Å; R335-R338 PolarHBondContact O-N 3.23Å; R335-D339 PolarHBondContact O-N 2.74Å
336	V	95.1	Very high	93.4	Very high	11 Å²	11	49.2 Å²	49.2	7%	0.067	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-41.6	-177.3	170.6	0	0	0	0	111.5	F268 H323 T325 N332 R338 D339 C340	F268-V336 HydrophobicContact CD1-CG1 4.46Å; F268-V336 HydrophobicContact CE1-CG1 3.51Å; F268-V336 HydrophobicContact CE2-CG1 4.09Å; F268-V336 HydrophobicContact CZ-CG1 3.3Å; H323-V336 HydrophobicContact CB-CG1 3.59Å; H323-V336 HydrophobicContact CB-CG2 4.24Å; T325-V336 HydrophobicContact CG2-CB 4.36Å; T325-V336 HydrophobicContact CG2-CG1 3.85Å; T325-V336 HydrophobicContact CG2-CG2 4.14Å; N332-V336 WeakPolarHBondContact O-CG2 3.39Å; N332-V336 PolarHBondContact O-N 2.82Å; V336-R338 VanDerWaalsContact C-N 3.32Å; V336-R338 PolarHBondContact O-N 3.2Å; V336-D339 PolarHBondContact O-N 3.13Å; V336-C340 PolarHBondContact O-N 3.01Å; V336-C340 PolarHBondContact O-SG 2.87Å
337	F	94.8	Very high	92.4	Very high	6 Å²	6	50.7 Å²	50.7	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-68.1	-32.3	179.3	-176.1	-106.3	0	0	0	112.7	F54 M58 H62 I192 F197 F199 I333 R335 D339 C340 K341	F54-F337 HydrophobicContact CE2-CD2 4.41Å; F54-F337 AromaticContact CZ-CD2 3.76Å; F54-F337 HydrophobicContact CZ-CD2 3.76Å; F54-F337 HydrophobicContact CZ-CE2 4.33Å; F54-F337 HydrophobicContact CZ-CG 4.5Å; M58-F337 HydrophobicContact CE-CB 4.37Å; M58-F337 HydrophobicContact CE-CD1 4.44Å; M58-F337 HydrophobicContact CE-CG 4.15Å; M58-F337 HydrophobicContact SD-CD1 4.16Å; M58-F337 HydrophobicContact SD-CD2 4.18Å; M58-F337 HydrophobicContact SD-CE1 4.22Å; M58-F337 HydrophobicContact SD-CE2 4.22Å; M58-F337 HydrophobicContact SD-CG 4.15Å; M58-F337 HydrophobicContact SD-CZ 4.25Å; H62-F337 AromaticContact NE2-CD1 3.39Å; H62-F337 WeakPolarHBondContact NE2-CD1 3.27Å; H62-F337 AromaticContact NE2-CE1 3.48Å; H62-F337 WeakPolarHBondContact NE2-CE1 3.48Å; I192-F337 HydrophobicContact CD1-CE1 3.6Å; I192-F337 HydrophobicContact CD1-CZ 3.87Å; F197-F337 HydrophobicContact CD1-CZ 4.23Å; F197-F337 HydrophobicContact CE1-CZ 4.29Å; F199-F337 AromaticContact CE1-CE2 3.9Å; F199-F337 HydrophobicContact CE1-CE2 3.9Å; F199-F337 HydrophobicContact CE1-CZ 4.34Å; F199-F337 AromaticContact CZ-CE2 3.63Å; F199-F337 HydrophobicContact CZ-CE2 3.63Å; F199-F337 AromaticContact CZ-CZ 3.61Å; F199-F337 HydrophobicContact CZ-CZ 3.61Å; I333-F337 WeakPolarHBondContact O-CB 3.34Å; I333-F337 PolarHBondContact O-N 3.25Å; R335-F337 VanDerWaalsContact C-N 3.34Å; R335-F337 PolarHBondContact O-N 3.49Å; F337-D339 VanDerWaalsContact C-N 3.31Å; F337-D339 PolarHBondContact O-N 3.39Å; F337-C340 PolarHBondContact O-N 3.48Å; F337-K341 HydrophobicContact CE1-CB 4.42Å; F337-K341 WeakPolarHBondContact O-CB 3.39Å; F337-K341 PolarHBondContact O-N 2.86Å
338	R	93.4	Very high	91.6	Very high	119 Å²	119	51.5 Å²	51.5	45%	0.449	24%	0.24	S	C	.	.	H	α-helix	trans	-59.4	-45.1	172.5	177	-174.6	58.9	-139.4	-6.9	110.9	R334 R335 V336 K341 E342	R334-R338 PolarHBondContact O-N 3.37Å; R335-R338 WeakPolarHBondContact O-CB 3.4Å; R335-R338 PolarHBondContact O-N 3.23Å; V336-R338 VanDerWaalsContact C-N 3.32Å; V336-R338 PolarHBondContact O-N 3.2Å; R338-K341 WeakPolarHBondContact O-CB 3.37Å; R338-K341 PolarHBondContact O-N 3.04Å; R338-E342 PolarHBondContact O-N 3.31Å
339	D	92	Very high	90.7	Very high	62 Å²	62	54.7 Å²	54.7	33%	0.332	26%	0.256	S	S	.	.	H	α-helix	trans	-67.5	-43.5	179.6	-52.9	-12	0	0	0	110.7	H323 R335 V336 F337 K341 E342 I343	H323-D339 IonicContact CE1-OD2 2.79Å; R335-D339 PolarHBondContact O-N 2.74Å; V336-D339 PolarHBondContact O-N 3.13Å; F337-D339 VanDerWaalsContact C-N 3.31Å; F337-D339 PolarHBondContact O-N 3.39Å; D339-K341 VanDerWaalsContact C-N 3.33Å; D339-K341 PolarHBondContact O-N 3.43Å; D339-E342 PolarHBondContact O-N 3.23Å; D339-I343 PolarHBondContact O-N 3.22Å
340	C	92	Very high	89.6	Confident	1 Å²	1	57 Å²	57	1%	0.007	26%	0.263	C	S	.	.	H	α-helix	trans	-59.8	-42.4	174.9	-66.1	0	0	0	0	112.3	I266 F268 V336 F337 E342 I343 I344	I266-C340 HydrophobicContact CD1-CB 3.85Å; F268-C340 VanDerWaalsContact CE1-SG 3.5Å; V336-C340 PolarHBondContact O-N 3.01Å; V336-C340 PolarHBondContact O-SG 2.87Å; F337-C340 PolarHBondContact O-N 3.48Å; C340-E342 VanDerWaalsContact C-N 3.29Å; C340-E342 PolarHBondContact O-N 3.05Å; C340-I343 PolarHBondContact O-N 3.05Å; C340-I344 HydrophobicContact CB-CD1 4.43Å; C340-I344 WeakPolarHBondContact O-CB 3.07Å; C340-I344 WeakPolarHBondContact O-CD1 3.19Å; C340-I344 WeakPolarHBondContact O-CG1 3.19Å; C340-I344 PolarHBondContact O-N 2.87Å
341	K	90.3	Very high	88.5	Confident	25 Å²	25	57.6 Å²	57.6	11%	0.109	27%	0.267	C	S	.	.	H	α-helix	trans	-59.2	-40.6	-179.6	-179.7	-165.7	65	169.9	0	111.2	I192 F197 F337 R338 D339 I344 L345	I192-K341 HydrophobicContact CG2-CD 4.06Å; F197-K341 HydrophobicContact CE1-CG 4.46Å; F197-K341 HydrophobicContact CE2-CG 4.45Å; F197-K341 HydrophobicContact CZ-CG 3.8Å; F337-K341 HydrophobicContact CE1-CB 4.42Å; F337-K341 WeakPolarHBondContact O-CB 3.39Å; F337-K341 PolarHBondContact O-N 2.86Å; R338-K341 WeakPolarHBondContact O-CB 3.37Å; R338-K341 PolarHBondContact O-N 3.04Å; D339-K341 VanDerWaalsContact C-N 3.33Å; D339-K341 PolarHBondContact O-N 3.43Å; K341-I344 PolarHBondContact O-N 2.96Å; K341-L345 HydrophobicContact CD-CD1 4.33Å; K341-L345 HydrophobicContact CG-CD1 3.82Å; K341-L345 HydrophobicContact CG-CG 4.29Å; K341-L345 WeakPolarHBondContact O-CB 3.38Å; K341-L345 VanDerWaalsContact O-CG 3.25Å; K341-L345 WeakPolarHBondContact O-CG 3.35Å; K341-L345 PolarHBondContact O-N 2.74Å
342	E	87.5	Confident	87.3	Confident	121 Å²	121	54.9 Å²	54.9	57%	0.565	25%	0.252	S	S	*	.	H	α-helix	trans	-62.5	-45.9	177.4	-69.8	177.5	-174.4	0	0	111.6	R338 D339 C340 I344 L345 D346	R338-E342 PolarHBondContact O-N 3.31Å; D339-E342 PolarHBondContact O-N 3.23Å; C340-E342 VanDerWaalsContact C-N 3.29Å; C340-E342 PolarHBondContact O-N 3.05Å; E342-I344 PolarHBondContact O-N 3.45Å; E342-L345 PolarHBondContact O-N 2.79Å; E342-D346 WeakPolarHBondContact O-CB 3.49Å; E342-D346 PolarHBondContact O-N 2.84Å
343	I	86.2	Confident	85.9	Confident	36 Å²	36	61.3 Å²	61.3	19%	0.185	28%	0.284	C	S	.	.	H	α-helix	trans	-60.6	-45.1	176.2	-64.3	160.6	0	0	0	111.2	F321 D339 C340 R347	F321-I343 HydrophobicContact CB-CD1 4.47Å; F321-I343 HydrophobicContact CD1-CD1 3.49Å; F321-I343 VanDerWaalsContact CD1-CD1 3.49Å; F321-I343 HydrophobicContact CD1-CG1 4.22Å; F321-I343 HydrophobicContact CD1-CG2 4.42Å; F321-I343 HydrophobicContact CD2-CG2 3.92Å; F321-I343 HydrophobicContact CE1-CD1 3.77Å; F321-I343 HydrophobicContact CE1-CG1 3.99Å; F321-I343 HydrophobicContact CE1-CG2 4.18Å; F321-I343 HydrophobicContact CE2-CG2 3.62Å; F321-I343 HydrophobicContact CG-CD1 3.99Å; F321-I343 HydrophobicContact CG-CG2 4.29Å; F321-I343 HydrophobicContact CZ-CD1 4.46Å; F321-I343 HydrophobicContact CZ-CG1 4.35Å; F321-I343 HydrophobicContact CZ-CG2 3.77Å; D339-I343 PolarHBondContact O-N 3.22Å; C340-I343 PolarHBondContact O-N 3.05Å; I343-R347 PolarHBondContact O-N 3.04Å
344	I	88.2	Confident	84.1	Confident	4 Å²	4	68.6 Å²	68.6	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-66.4	-44.4	-177.7	-66.3	167	0	0	0	110.6	V39 V41 F197 S221 I266 C340 K341 E342 N348	V39-I344 HydrophobicContact CG1-CG2 3.29Å; V41-I344 HydrophobicContact CG2-CD1 4.23Å; F197-I344 HydrophobicContact CE1-CG2 4.34Å; S221-I344 WeakPolarHBondContact OG-CG1 3.43Å; S221-I344 WeakPolarHBondContact OG-CG2 3.28Å; I266-I344 HydrophobicContact CD1-CD1 4.14Å; I266-I344 HydrophobicContact CD1-CG1 4.02Å; C340-I344 HydrophobicContact CB-CD1 4.43Å; C340-I344 WeakPolarHBondContact O-CB 3.07Å; C340-I344 WeakPolarHBondContact O-CD1 3.19Å; C340-I344 WeakPolarHBondContact O-CG1 3.19Å; C340-I344 PolarHBondContact O-N 2.87Å; K341-I344 PolarHBondContact O-N 2.96Å; E342-I344 PolarHBondContact O-N 3.45Å; I344-N348 VanDerWaalsContact O-CB 3.25Å; I344-N348 WeakPolarHBondContact O-CB 3.25Å; I344-N348 PolarHBondContact O-N 3.2Å
345	L	86.1	Confident	82.1	Confident	39 Å²	39	71.5 Å²	71.5	20%	0.204	34%	0.338	C	S	.	.	H	α-helix	trans	-69.6	-42.2	-179.1	-70.1	176.1	0	0	0	112.4	V39 V195 F197 K341 E342 R347 N348 L349	V39-L345 HydrophobicContact CG2-CD2 4.03Å; V195-L345 HydrophobicContact CG1-CD2 4.08Å; V195-L345 HydrophobicContact CG2-CD2 4.37Å; F197-L345 HydrophobicContact CE2-CD2 4.29Å; F197-L345 HydrophobicContact CZ-CD1 4.5Å; F197-L345 HydrophobicContact CZ-CD2 3.91Å; F197-L345 HydrophobicContact CZ-CG 4.14Å; K341-L345 HydrophobicContact CD-CD1 4.33Å; K341-L345 HydrophobicContact CG-CD1 3.82Å; K341-L345 HydrophobicContact CG-CG 4.29Å; K341-L345 WeakPolarHBondContact O-CB 3.38Å; K341-L345 VanDerWaalsContact O-CG 3.25Å; K341-L345 WeakPolarHBondContact O-CG 3.35Å; K341-L345 PolarHBondContact O-N 2.74Å; E342-L345 PolarHBondContact O-N 2.79Å; L345-R347 PolarHBondContact O-N 2.9Å; L345-N348 PolarHBondContact O-N 3.18Å; L345-L349 WeakPolarHBondContact O-CB 3.47Å; L345-L349 VanDerWaalsContact O-CG 3.27Å; L345-L349 WeakPolarHBondContact O-CG 3.45Å; L345-L349 PolarHBondContact O-N 2.79Å
346	D	82.6	Confident	81.4	Confident	81 Å²	81	68.2 Å²	68.2	43%	0.433	33%	0.329	S	S	.	.	H	α-helix	trans	-59	-46.3	177.1	176.2	64	0	0	0	111.5	E342 L349 K350	E342-D346 WeakPolarHBondContact O-CB 3.49Å; E342-D346 PolarHBondContact O-N 2.84Å; D346-L349 PolarHBondContact O-N 2.89Å; D346-K350 WeakPolarHBondContact O-CG 3.27Å; D346-K350 PolarHBondContact O-N 3.41Å; D346-K350 VanDerWaalsContact O-N 3.11Å; D346-K350 WeakPolarHBondContact OD1-CE 3.04Å; D346-K350 IonicContact OD1-NZ 3.64Å; D346-K350 PolarHBondContact OD1-NZ 2.75Å; D346-K350 WeakPolarHBondContact OD2-CE 3.19Å; D346-K350 IonicContact OD2-NZ 3.5Å; D346-K350 PolarHBondContact OD2-NZ 2.65Å
347	R	77.6	Confident	80.6	Confident	51 Å²	51	71.2 Å²	71.2	19%	0.192	34%	0.342	C	S	.	.	H	α-helix	trans	-68.5	-41.8	178	-163.1	177.7	-174.1	156	-5.2	112.1	Y261 D262 M263 S264 I343 L345 L349 K350 T351	Y261-R347 PolarHBondContact O-NH2 3.08Å; D262-R347 VanDerWaalsContact O-CZ 3.27Å; D262-R347 PolarHBondContact O-NE 3.1Å; D262-R347 PolarHBondContact O-NH2 3.27Å; M263-R347 PolarHBondContact O-NH1 3.17Å; M263-R347 PolarHBondContact O-NH2 3.21Å; M263-R347 VanDerWaalsContact O-NH2 3.15Å; S264-R347 WeakPolarHBondContact OG-CD 3.12Å; I343-R347 PolarHBondContact O-N 3.04Å; L345-R347 PolarHBondContact O-N 2.9Å; R347-L349 VanDerWaalsContact C-N 3.32Å; R347-L349 PolarHBondContact O-N 2.9Å; R347-K350 PolarHBondContact O-N 3.2Å; R347-T351 PolarHBondContact O-N 2.92Å; R347-T351 PolarHBondContact O-OG1 3.37Å; R347-T351 VanDerWaalsContact O-OG1 3.1Å
348	N	79.3	Confident	79.8	Confident	22 Å²	22	74.8 Å²	74.8	12%	0.118	36%	0.36	C	S	.	.	H	α-helix	trans	-60.6	-42.9	177.6	-168.9	36.6	0	0	0	111.3	T220 I344 L345 K350 T351 L352	T220-N348 HydrophobicContact CG2-CB 3.92Å; I344-N348 VanDerWaalsContact O-CB 3.25Å; I344-N348 WeakPolarHBondContact O-CB 3.25Å; I344-N348 PolarHBondContact O-N 3.2Å; L345-N348 PolarHBondContact O-N 3.18Å; N348-K350 PolarHBondContact O-N 3.02Å; N348-T351 PolarHBondContact O-N 3.14Å; N348-L352 WeakPolarHBondContact O-CB 3.46Å; N348-L352 WeakPolarHBondContact O-CG 3.29Å; N348-L352 PolarHBondContact O-N 3.12Å
349	L	78.2	Confident	79	Confident	102 Å²	102	72.2 Å²	72.2	53%	0.534	36%	0.355	S	S	.	.	H	α-helix	trans	-61.6	-44.1	175.9	-72.9	170.4	0	0	0	112.1	L345 D346 R347 T351 L352 M353	L345-L349 WeakPolarHBondContact O-CB 3.47Å; L345-L349 VanDerWaalsContact O-CG 3.27Å; L345-L349 WeakPolarHBondContact O-CG 3.45Å; L345-L349 PolarHBondContact O-N 2.79Å; D346-L349 PolarHBondContact O-N 2.89Å; R347-L349 VanDerWaalsContact C-N 3.32Å; R347-L349 PolarHBondContact O-N 2.9Å; L349-T351 PolarHBondContact O-N 2.84Å; L349-L352 PolarHBondContact O-N 3.39Å; L349-M353 VanDerWaalsContact O-CG 3.31Å; L349-M353 WeakPolarHBondContact O-CG 3.14Å; L349-M353 PolarHBondContact O-N 2.65Å
350	K	75.5	Confident	78.2	Confident	113 Å²	113	72.9 Å²	72.9	49%	0.491	36%	0.356	S	S	.	.	H	α-helix	trans	-58.8	-46.3	175.5	-73.3	168.5	179.6	165.3	0	111.8	D346 R347 N348 L352 M353 M354	D346-K350 WeakPolarHBondContact O-CG 3.27Å; D346-K350 PolarHBondContact O-N 3.41Å; D346-K350 VanDerWaalsContact O-N 3.11Å; D346-K350 WeakPolarHBondContact OD1-CE 3.04Å; D346-K350 IonicContact OD1-NZ 3.64Å; D346-K350 PolarHBondContact OD1-NZ 2.75Å; D346-K350 WeakPolarHBondContact OD2-CE 3.19Å; D346-K350 IonicContact OD2-NZ 3.5Å; D346-K350 PolarHBondContact OD2-NZ 2.65Å; R347-K350 PolarHBondContact O-N 3.2Å; N348-K350 PolarHBondContact O-N 3.02Å; K350-L352 VanDerWaalsContact C-N 3.31Å; K350-L352 PolarHBondContact O-N 2.9Å; K350-M353 PolarHBondContact O-N 3.07Å; K350-M354 WeakPolarHBondContact O-CG 3.32Å; K350-M354 PolarHBondContact O-N 3.31Å
351	T	73.7	Confident	77.3	Confident	48 Å²	48	77.7 Å²	77.7	29%	0.294	38%	0.379	S	S	.	.	H	α-helix	trans	-61.2	-40.5	176.2	-55.6	0	0	0	0	111.7	R347 N348 L349 M353 M354	R347-T351 PolarHBondContact O-N 2.92Å; R347-T351 PolarHBondContact O-OG1 3.37Å; R347-T351 VanDerWaalsContact O-OG1 3.1Å; N348-T351 PolarHBondContact O-N 3.14Å; L349-T351 PolarHBondContact O-N 2.84Å; T351-M353 PolarHBondContact O-N 3.08Å; T351-M354 PolarHBondContact O-N 2.82Å
352	L	72.3	Confident	76.4	Confident	37 Å²	37	81.4 Å²	81.4	19%	0.194	40%	0.399	C	S	.	.	H	α-helix	trans	-70.3	-28.1	179.1	-71.9	173.9	0	0	0	114.2	R36 N348 L349 K350	R36-L352 HydrophobicContact CG-CD2 3.4Å; R36-L352 VanDerWaalsContact CG-CD2 3.4Å; R36-L352 PolarHBondContact NH2-O 3.5Å; R36-L352 WeakPolarHBondContact O-CD1 3.35Å; R36-L352 VanDerWaalsContact O-CD2 3.25Å; R36-L352 WeakPolarHBondContact O-CD2 3.42Å; N348-L352 WeakPolarHBondContact O-CB 3.46Å; N348-L352 WeakPolarHBondContact O-CG 3.29Å; N348-L352 PolarHBondContact O-N 3.12Å; L349-L352 PolarHBondContact O-N 3.39Å; K350-L352 VanDerWaalsContact C-N 3.31Å; K350-L352 PolarHBondContact O-N 2.9Å
353	M	68	Low	75.5	Confident	162 Å²	162	78.4 Å²	78.4	80%	0.798	39%	0.386	S	S	*	.	H	α-helix	trans	-81.4	-23.2	177.5	-70.9	-179.5	78	0	0	113.3	L349 K350 T351 Q355	L349-M353 VanDerWaalsContact O-CG 3.31Å; L349-M353 WeakPolarHBondContact O-CG 3.14Å; L349-M353 PolarHBondContact O-N 2.65Å; K350-M353 PolarHBondContact O-N 3.07Å; T351-M353 PolarHBondContact O-N 3.08Å; M353-Q355 VanDerWaalsContact C-N 3.33Å
354	M	59.8	Low	74.6	Confident	154 Å²	154	81.9 Å²	81.9	76%	0.759	40%	0.403	S	S	*	.			trans	-82.3	-9.1	176.7	-68.9	-173.9	-66.1	0	0	113.7	K350 T351	K350-M354 WeakPolarHBondContact O-CG 3.32Å; K350-M354 PolarHBondContact O-N 3.31Å; T351-M354 PolarHBondContact O-N 2.82Å
355	Q	54.4	Low	73.4	Confident	170 Å²	170	89 Å²	89	79%	0.794	44%	0.437	S	S	*	.			trans	-108.3	0	178.3	-65.8	178.4	1.8	0	0	112.1	R36 M353	R36-Q355 PolarHBondContact NH2-OXT 3.29Å; M353-Q355 VanDerWaalsContact C-N 3.33Å

Retrieved 355 of 355 residues in 297.1 ms (Link to these results)

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