A0A5K4FF49_SCHMA Loading...

Metalloprotease TIKI homolog

Metalloprotease that acts as a negative regulator of the Wnt signaling pathway.

AlphaFold DB , UniProt , Accession A0A5K4FF49, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 679 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	31.2	Very low	38.2	Very low	242 Å²	242	125 Å²	125	100%	1.192	67%	0.67	S	S	*	*				0	130.6	0	-79.9	-176.3	157.6	0	0	109.3	V3	M1-V3 PolarHBondContact O-N 3.41Å
2	N	33.6	Very low	38.8	Very low	161 Å²	161	127.2 Å²	127.2	86%	0.861	67%	0.669	S	S	*	*			trans	-44.6	116.1	-172.9	-76.4	-26.6	0	0	0	113.9	K4	N2-K4 PolarHBondContact O-N 3.38Å
3	V	33	Very low	39.5	Very low	111 Å²	111	126.7 Å²	126.7	67%	0.673	66%	0.661	S	S	*	*			trans	-64.6	105.5	167.9	178.9	0	0	0	0	107.1	M1	M1-V3 PolarHBondContact O-N 3.41Å
4	K	33.2	Very low	39.9	Very low	171 Å²	171	125.4 Å²	125.4	74%	0.743	65%	0.652	S	S	*	*			trans	-58	134.9	179.1	-74.3	-177.4	176.9	179.9	0	109.9	N2 A6	N2-K4 PolarHBondContact O-N 3.38Å; K4-A6 PolarHBondContact O-N 3.31Å
5	P	40	Very low	40.5	Very low	100 Å²	100	122.8 Å²	122.8	65%	0.649	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-6.5	-173.4	22.6	-31.9	0	0	0	115.3	S7 I8 Q9	P5-S7 VanDerWaalsContact C-N 3.27Å; P5-S7 PolarHBondContact O-N 3.36Å; P5-I8 PolarHBondContact O-N 3.43Å; P5-Q9 PolarHBondContact O-N 3.16Å
6	A	38	Very low	41.2	Very low	61 Å²	61	121.6 Å²	121.6	50%	0.504	63%	0.632	S	S	.	*	H	α-helix	trans	-63.1	-26.3	179.2	0	0	0	0	0	114.1	K4 K10	K4-A6 PolarHBondContact O-N 3.31Å; A6-K10 PolarHBondContact O-N 3.23Å
7	S	42.1	Very low	41.6	Very low	67 Å²	67	122.9 Å²	122.9	47%	0.469	63%	0.632	S	S	.	*	H	α-helix	trans	-73.8	-36.6	-180	66	0	0	0	0	112.8	P5 Q9 C11	P5-S7 VanDerWaalsContact C-N 3.27Å; P5-S7 PolarHBondContact O-N 3.36Å; S7-Q9 VanDerWaalsContact C-N 3.34Å; S7-C11 PolarHBondContact O-N 3.23Å
8	I	42.3	Very low	41.7	Very low	115 Å²	115	120.1 Å²	120.1	59%	0.59	62%	0.618	S	S	*	*	H	α-helix	trans	-69.4	-35.3	178.2	-64.1	172.7	0	0	0	110.5	P5 C11 K12	P5-I8 PolarHBondContact O-N 3.43Å; I8-C11 PolarHBondContact O-N 3.28Å; I8-K12 PolarHBondContact O-N 3.21Å
9	Q	42.4	Very low	42	Very low	121 Å²	121	118.8 Å²	118.8	57%	0.565	61%	0.612	S	S	*	*	H	α-helix	trans	-72.9	-34.3	-178.4	-151.2	159.1	5.2	0	0	112.7	P5 S7 C11 K12 H13	P5-Q9 PolarHBondContact O-N 3.16Å; S7-Q9 VanDerWaalsContact C-N 3.34Å; Q9-C11 VanDerWaalsContact C-N 3.32Å; Q9-K12 PolarHBondContact O-N 3.02Å; Q9-H13 PolarHBondContact O-N 3.1Å; Q9-H13 VanDerWaalsContact O-N 3.13Å; Q9-H13 PolarHBondContact O-ND1 3.12Å
10	K	41.6	Very low	42.2	Very low	167 Å²	167	117.4 Å²	117.4	73%	0.726	60%	0.604	S	S	*	*	H	α-helix	trans	-63.2	-38.9	170.4	-76.9	-176.1	178.3	-178.9	0	111.8	A6 H13 M14	A6-K10 PolarHBondContact O-N 3.23Å; K10-H13 PolarHBondContact O-N 3.19Å; K10-M14 PolarHBondContact O-N 3.36Å
11	C	42.7	Very low	42.2	Very low	59 Å²	59	114 Å²	114	40%	0.399	59%	0.591	S	S	.	*	H	α-helix	trans	-66.1	-42.5	177.1	-149.8	0	0	0	0	111.5	S7 I8 Q9 H13 M14 I15	S7-C11 PolarHBondContact O-N 3.23Å; I8-C11 PolarHBondContact O-N 3.28Å; Q9-C11 VanDerWaalsContact C-N 3.32Å; C11-H13 PolarHBondContact O-N 3.02Å; C11-M14 PolarHBondContact O-N 3.01Å; C11-I15 WeakPolarHBondContact O-CB 3.46Å; C11-I15 WeakPolarHBondContact O-CD1 3.42Å; C11-I15 WeakPolarHBondContact O-CG1 3.47Å; C11-I15 PolarHBondContact O-N 3.36Å
12	K	45.8	Very low	42.9	Very low	151 Å²	151	105.7 Å²	105.7	66%	0.657	56%	0.557	S	S	*	*	H	α-helix	trans	-59.3	-44.1	173.8	-88.1	-173	175	-178.4	0	113.4	I8 Q9 I15 L16	I8-K12 PolarHBondContact O-N 3.21Å; Q9-K12 PolarHBondContact O-N 3.02Å; K12-I15 PolarHBondContact O-N 3.07Å; K12-L16 WeakPolarHBondContact O-CB 3.38Å; K12-L16 PolarHBondContact O-N 2.92Å
13	H	48	Very low	43.2	Very low	121 Å²	121	104.1 Å²	104.1	56%	0.56	55%	0.548	S	S	*	.	H	α-helix	trans	-67.3	-38	178.2	-74.9	79.5	0	0	0	111.8	Q9 K10 C11 L16 F17	Q9-H13 PolarHBondContact O-N 3.1Å; Q9-H13 VanDerWaalsContact O-N 3.13Å; Q9-H13 PolarHBondContact O-ND1 3.12Å; K10-H13 PolarHBondContact O-N 3.19Å; C11-H13 PolarHBondContact O-N 3.02Å; H13-L16 PolarHBondContact O-N 2.88Å; H13-F17 VanDerWaalsContact O-CB 3.28Å; H13-F17 WeakPolarHBondContact O-CB 3.45Å; H13-F17 PolarHBondContact O-N 3.38Å
14	M	44.5	Very low	43.2	Very low	109 Å²	109	106 Å²	106	54%	0.537	55%	0.547	S	S	.	.	H	α-helix	trans	-67.5	-39	175.2	-132.7	-157.7	87.2	0	0	111.9	K10 C11 F17 L18	K10-M14 PolarHBondContact O-N 3.36Å; C11-M14 PolarHBondContact O-N 3.01Å; M14-F17 PolarHBondContact O-N 3.49Å; M14-L18 HydrophobicContact CE-CD1 3.31Å; M14-L18 HydrophobicContact CE-CG 3.96Å; M14-L18 WeakPolarHBondContact O-CB 3.33Å; M14-L18 VanDerWaalsContact O-CG 3.27Å; M14-L18 WeakPolarHBondContact O-CG 3.31Å; M14-L18 PolarHBondContact O-N 3.21Å
15	I	49.5	Very low	43.3	Very low	86 Å²	86	103.8 Å²	103.8	44%	0.441	54%	0.54	S	S	.	.	H	α-helix	trans	-62.8	-45.6	174.4	-69.9	162.4	0	0	0	110.2	C11 K12 L18 L19	C11-I15 WeakPolarHBondContact O-CB 3.46Å; C11-I15 WeakPolarHBondContact O-CD1 3.42Å; C11-I15 WeakPolarHBondContact O-CG1 3.47Å; C11-I15 PolarHBondContact O-N 3.36Å; K12-I15 PolarHBondContact O-N 3.07Å; I15-L18 PolarHBondContact O-N 3.06Å; I15-L19 HydrophobicContact CG2-CD1 3.75Å; I15-L19 HydrophobicContact CG2-CG 4.42Å; I15-L19 WeakPolarHBondContact O-CB 3.41Å; I15-L19 VanDerWaalsContact O-CG 3.24Å; I15-L19 WeakPolarHBondContact O-CG 3.19Å; I15-L19 PolarHBondContact O-N 3.24Å
16	L	51.9	Low	43	Very low	103 Å²	103	103.6 Å²	103.6	54%	0.539	54%	0.538	S	S	.	.	H	α-helix	trans	-64.5	-41.4	177.3	-170.4	66.6	0	0	0	111.4	K12 H13 L19 L20	K12-L16 WeakPolarHBondContact O-CB 3.38Å; K12-L16 PolarHBondContact O-N 2.92Å; H13-L16 PolarHBondContact O-N 2.88Å; L16-L19 PolarHBondContact O-N 3.36Å; L16-L20 HydrophobicContact CD1-CD1 4.36Å; L16-L20 HydrophobicContact CG-CD1 3.87Å; L16-L20 WeakPolarHBondContact O-CB 3.34Å; L16-L20 WeakPolarHBondContact O-CD1 3.38Å; L16-L20 VanDerWaalsContact O-CG 3.3Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 2.85Å
17	F	46.6	Very low	42.6	Very low	144 Å²	144	107.2 Å²	107.2	63%	0.632	55%	0.549	S	S	*	.	H	α-helix	trans	-65.6	-40.2	176.1	-175.2	-96.2	0	0	0	112.6	H13 M14 S21	H13-F17 VanDerWaalsContact O-CB 3.28Å; H13-F17 WeakPolarHBondContact O-CB 3.45Å; H13-F17 PolarHBondContact O-N 3.38Å; M14-F17 PolarHBondContact O-N 3.49Å; F17-S21 VanDerWaalsContact O-CB 3.26Å; F17-S21 WeakPolarHBondContact O-CB 3.45Å; F17-S21 PolarHBondContact O-N 3.4Å; F17-S21 PolarHBondContact O-OG 2.85Å
18	L	45.1	Very low	42	Very low	73 Å²	73	110.8 Å²	110.8	38%	0.382	56%	0.561	S	S	.	*	H	α-helix	trans	-69.8	-36.6	175.2	-73.2	-179.5	0	0	0	112.3	M14 I15 S21 S22	M14-L18 HydrophobicContact CE-CD1 3.31Å; M14-L18 HydrophobicContact CE-CG 3.96Å; M14-L18 WeakPolarHBondContact O-CB 3.33Å; M14-L18 VanDerWaalsContact O-CG 3.27Å; M14-L18 WeakPolarHBondContact O-CG 3.31Å; M14-L18 PolarHBondContact O-N 3.21Å; I15-L18 PolarHBondContact O-N 3.06Å; L18-S21 VanDerWaalsContact CA-OG 3.32Å; L18-S21 WeakPolarHBondContact CA-OG 3.4Å; L18-S21 PolarHBondContact O-OG 3.29Å; L18-S22 VanDerWaalsContact O-CB 3.28Å; L18-S22 WeakPolarHBondContact O-CB 3.39Å; L18-S22 PolarHBondContact O-N 3.37Å; L18-S22 PolarHBondContact O-OG 3.29Å
19	L	47.2	Very low	41.3	Very low	96 Å²	96	113.3 Å²	113.3	50%	0.503	57%	0.568	S	S	.	*	H	α-helix	trans	-67	-43.9	173.3	-74.5	168.1	0	0	0	111.2	I15 L16 S22 L23	I15-L19 HydrophobicContact CG2-CD1 3.75Å; I15-L19 HydrophobicContact CG2-CG 4.42Å; I15-L19 WeakPolarHBondContact O-CB 3.41Å; I15-L19 VanDerWaalsContact O-CG 3.24Å; I15-L19 WeakPolarHBondContact O-CG 3.19Å; I15-L19 PolarHBondContact O-N 3.24Å; L16-L19 PolarHBondContact O-N 3.36Å; L19-S22 PolarHBondContact O-OG 2.97Å; L19-L23 WeakPolarHBondContact O-CD1 3.41Å; L19-L23 VanDerWaalsContact O-CG 3.3Å; L19-L23 WeakPolarHBondContact O-CG 3.48Å; L19-L23 PolarHBondContact O-N 3.5Å; L19-L23 VanDerWaalsContact O-N 3.13Å
20	L	44.4	Very low	40.5	Very low	89 Å²	89	112.5 Å²	112.5	47%	0.466	58%	0.576	S	S	.	*	H	α-helix	trans	-67.2	-41	176.8	-75.6	162.5	0	0	0	112.4	L16 L23 F24	L16-L20 HydrophobicContact CD1-CD1 4.36Å; L16-L20 HydrophobicContact CG-CD1 3.87Å; L16-L20 WeakPolarHBondContact O-CB 3.34Å; L16-L20 WeakPolarHBondContact O-CD1 3.38Å; L16-L20 VanDerWaalsContact O-CG 3.3Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 2.85Å; L20-L23 PolarHBondContact O-N 3.33Å; L20-F24 PolarHBondContact O-N 3.38Å
21	S	42.9	Very low	39.6	Very low	47 Å²	47	109 Å²	109	33%	0.329	57%	0.568	S	S	.	*	H	α-helix	trans	-71.7	-30.6	178.2	56	0	0	0	0	113.2	F17 L18 Q25	F17-S21 VanDerWaalsContact O-CB 3.26Å; F17-S21 WeakPolarHBondContact O-CB 3.45Å; F17-S21 PolarHBondContact O-N 3.4Å; F17-S21 PolarHBondContact O-OG 2.85Å; L18-S21 VanDerWaalsContact CA-OG 3.32Å; L18-S21 WeakPolarHBondContact CA-OG 3.4Å; L18-S21 PolarHBondContact O-OG 3.29Å; S21-Q25 VanDerWaalsContact O-CG 3.23Å; S21-Q25 WeakPolarHBondContact O-CG 3.44Å; S21-Q25 PolarHBondContact O-N 3.46Å
22	S	46	Very low	38.7	Very low	68 Å²	68	111.5 Å²	111.5	48%	0.476	58%	0.582	S	S	.	*	H	α-helix	trans	-74.1	-27.8	173.1	61.7	0	0	0	0	113.3	L18 L19	L18-S22 VanDerWaalsContact O-CB 3.28Å; L18-S22 WeakPolarHBondContact O-CB 3.39Å; L18-S22 PolarHBondContact O-N 3.37Å; L18-S22 PolarHBondContact O-OG 3.29Å; L19-S22 PolarHBondContact O-OG 2.97Å
23	L	39.8	Very low	37.6	Very low	127 Å²	127	112.7 Å²	112.7	67%	0.665	59%	0.587	S	S	*	*	H	α-helix	trans	-75	-29.2	174.3	-74.5	166.2	0	0	0	113.1	L19 L20 P26	L19-L23 WeakPolarHBondContact O-CD1 3.41Å; L19-L23 VanDerWaalsContact O-CG 3.3Å; L19-L23 WeakPolarHBondContact O-CG 3.48Å; L19-L23 PolarHBondContact O-N 3.5Å; L19-L23 VanDerWaalsContact O-N 3.13Å; L20-L23 PolarHBondContact O-N 3.33Å; L23-P26 VanDerWaalsContact O-CD 3.24Å; L23-P26 WeakPolarHBondContact O-CD 3.24Å
24	F	34.2	Very low	36.5	Very low	150 Å²	150	115.4 Å²	115.4	66%	0.658	60%	0.598	S	S	*	*	H	α-helix	trans	-94.7	-9.9	-178.5	-89.6	-86.6	0	0	0	115.5	L20 L27	L20-F24 PolarHBondContact O-N 3.38Å; F24-L27 PolarHBondContact O-N 2.9Å
25	Q	33.8	Very low	35.5	Very low	126 Å²	126	117.6 Å²	117.6	59%	0.589	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-64.9	-22.8	176.5	-85	-91.5	-54.9	0	0	116.6	S21 L27	S21-Q25 VanDerWaalsContact O-CG 3.23Å; S21-Q25 WeakPolarHBondContact O-CG 3.44Å; S21-Q25 PolarHBondContact O-N 3.46Å; Q25-L27 VanDerWaalsContact C-N 3.27Å; Q25-L27 PolarHBondContact O-N 2.94Å
26	P	34.1	Very low	34.4	Very low	96 Å²	96	118.5 Å²	118.5	62%	0.623	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-71.7	-18.7	177.8	-15.4	29.7	0	0	0	114	L23	L23-P26 VanDerWaalsContact O-CD 3.24Å; L23-P26 WeakPolarHBondContact O-CD 3.24Å
27	L	30.2	Very low	33.1	Very low	137 Å²	137	120.2 Å²	120.2	72%	0.717	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-92.5	-5.9	-173.7	-97.2	126.6	0	0	0	115.4	F24 Q25	F24-L27 PolarHBondContact O-N 2.9Å; Q25-L27 VanDerWaalsContact C-N 3.27Å; Q25-L27 PolarHBondContact O-N 2.94Å
28	L	29.9	Very low	32	Very low	141 Å²	141	118.9 Å²	118.9	74%	0.738	64%	0.638	S	S	*	*	S	Bend	trans	-108.1	3.6	177.8	-113.5	85.5	0	0	0	115.3	S30	L28-S30 PolarHBondContact O-N 2.81Å
29	K	27	Very low	30.9	Very low	169 Å²	169	125.6 Å²	125.6	74%	0.735	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	0.1	179.4	-75.1	-171.3	178.5	-179.4	0	114.9
30	S	25.7	Very low	29.8	Very low	104 Å²	104	129.9 Å²	129.9	73%	0.727	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	3	177.3	47	0	0	0	0	114.7	L28	L28-S30 PolarHBondContact O-N 2.81Å
31	V	22.2	Very low	28.9	Very low	93 Å²	93	132.1 Å²	132.1	56%	0.564	69%	0.693	S	S	*	*			trans	-127.9	85.5	179.3	-168.4	0	0	0	0	110.7	F33	V31-F33 HydrophobicContact CG1-CD2 3.69Å; V31-F33 HydrophobicContact CG1-CE2 3.38Å; V31-F33 HydrophobicContact CG1-CZ 4.24Å
32	V	24.1	Very low	28.1	Very low	112 Å²	112	135.9 Å²	135.9	68%	0.679	71%	0.714	S	S	*	*			trans	-83.4	106.3	170.5	177	0	0	0	0	107.9	F34	V32-F34 HydrophobicContact CG1-CD2 3.94Å; V32-F34 HydrophobicContact CG1-CE2 3.86Å
33	F	22.8	Very low	26.9	Very low	176 Å²	176	136.4 Å²	136.4	77%	0.772	73%	0.729	S	S	*	*			trans	-88.8	111.9	164.7	-82.6	-79.9	0	0	0	109.2	V31	V31-F33 HydrophobicContact CG1-CD2 3.69Å; V31-F33 HydrophobicContact CG1-CE2 3.38Å; V31-F33 HydrophobicContact CG1-CZ 4.24Å
34	F	24.2	Very low	26.2	Very low	178 Å²	178	138.8 Å²	138.8	78%	0.781	74%	0.737	S	S	*	*			trans	-74.5	115.5	166.4	-83.6	-92.3	0	0	0	109.1	V32	V32-F34 HydrophobicContact CG1-CD2 3.94Å; V32-F34 HydrophobicContact CG1-CE2 3.86Å
35	N	24.5	Very low	25.6	Very low	154 Å²	154	139.5 Å²	139.5	82%	0.824	75%	0.746	S	S	*	*			trans	-113.9	94.8	162.6	-85.2	-10.8	0	0	0	108.6
36	S	26.5	Very low	25	Very low	106 Å²	106	138.5 Å²	138.5	74%	0.741	75%	0.749	S	S	*	*			trans	-91.8	109.1	170.5	42.6	0	0	0	0	109.5
37	N	22.9	Very low	24.4	Very low	138 Å²	138	141.2 Å²	141.2	74%	0.738	76%	0.758	S	S	*	*			trans	-121.7	85.4	165.7	-82.7	-23.4	0	0	0	108.4
38	V	23.7	Very low	24.1	Very low	116 Å²	116	141.4 Å²	141.4	70%	0.703	76%	0.758	S	S	*	*			trans	-142.7	109.3	161.7	-178.1	0	0	0	0	107.5	F40	V38-F40 HydrophobicContact CG1-CD2 4.25Å; V38-F40 HydrophobicContact CG1-CE2 3.88Å; V38-F40 HydrophobicContact CG1-CZ 4.28Å
39	Y	23.7	Very low	23.7	Very low	214 Å²	214	140.1 Å²	140.1	84%	0.839	76%	0.758	S	S	*	*			trans	-83.9	121.1	171.6	-70.8	-89.7	0	0	0	108.7
40	F	23.3	Very low	23.5	Very low	186 Å²	186	141.5 Å²	141.5	82%	0.816	77%	0.767	S	S	*	*			trans	-91.6	110.5	167	-75.8	-88.6	0	0	0	108.5	V38	V38-F40 HydrophobicContact CG1-CD2 4.25Å; V38-F40 HydrophobicContact CG1-CE2 3.88Å; V38-F40 HydrophobicContact CG1-CZ 4.28Å
41	V	24.8	Very low	23.4	Very low	137 Å²	137	145.9 Å²	145.9	83%	0.83	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-83.2	121.7	165.4	178.4	0	0	0	0	107.8
42	T	25.7	Very low	23.5	Very low	126 Å²	126	151.7 Å²	151.7	77%	0.773	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-60	144.1	-177.6	46.5	0	0	0	0	113	Q44	T42-Q44 PolarHBondContact O-N 2.8Å
43	G	22.4	Very low	23.5	Very low	78 Å²	78	153.4 Å²	153.4	80%	0.804	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-59.9	124.7	-177.4	0	0	0	0	0	114.5
44	Q	23.5	Very low	23.5	Very low	178 Å²	178	154.2 Å²	154.2	83%	0.832	80%	0.795	S	S	*	*			trans	-138.8	134.2	142.9	-78.3	-162.6	-33.5	0	0	108.5	T42 V46	T42-Q44 PolarHBondContact O-N 2.8Å; Q44-V46 PolarHBondContact O-N 3.5Å; Q44-V46 VanDerWaalsContact O-N 3.15Å
45	I	21.6	Very low	23.5	Very low	164 Å²	164	154.1 Å²	154.1	84%	0.841	80%	0.797	S	S	*	*			trans	-72.1	100.9	171.7	-62	168.4	0	0	0	106.3
46	V	23.1	Very low	23.5	Very low	106 Å²	106	157.2 Å²	157.2	64%	0.642	80%	0.804	S	S	*	*			trans	-94.8	112.1	168.3	-176.5	0	0	0	0	107.3	Q44 I48	Q44-V46 PolarHBondContact O-N 3.5Å; Q44-V46 VanDerWaalsContact O-N 3.15Å; V46-I48 HydrophobicContact CG1-CG1 4.14Å; V46-I48 PolarHBondContact O-N 3.46Å; V46-I48 VanDerWaalsContact O-N 3.07Å
47	N	20.9	Very low	23.2	Very low	152 Å²	152	156 Å²	156	81%	0.813	80%	0.796	S	S	*	*			trans	-60.3	105.5	165.9	-85.8	-30.1	0	0	0	108.5
48	I	23.6	Very low	23.2	Very low	141 Å²	141	158.6 Å²	158.6	72%	0.723	80%	0.8	S	S	*	*			trans	-98	115.8	170.6	-60	177.9	0	0	0	107.8	V46	V46-I48 HydrophobicContact CG1-CG1 4.14Å; V46-I48 PolarHBondContact O-N 3.46Å; V46-I48 VanDerWaalsContact O-N 3.07Å
49	P	21.4	Very low	23.2	Very low	115 Å²	115	158.1 Å²	158.1	75%	0.747	80%	0.802	S	S	*	*			trans	-66.4	154.4	-178.2	-16.7	29.6	0	0	0	113.4	K51	P49-K51 PolarHBondContact O-N 3.3Å
50	H	23	Very low	23.3	Very low	197 Å²	197	158 Å²	158	91%	0.912	81%	0.806	S	S	*	*	S	Bend	trans	-55.9	89.8	-176.9	-142	-85.7	0	0	0	113.6
51	K	24.3	Very low	23.1	Very low	197 Å²	197	153.9 Å²	153.9	86%	0.857	80%	0.8	S	S	*	*			trans	-157.5	59.1	158.7	-120	178.9	-174	-179.6	0	111.4	P49 N53	P49-K51 PolarHBondContact O-N 3.3Å; K51-N53 PolarHBondContact O-N 3.37Å
52	F	24	Very low	23.1	Very low	215 Å²	215	153.2 Å²	153.2	94%	0.943	80%	0.797	S	S	*	*			trans	-85.6	92.6	163.9	-120.8	-90.5	0	0	0	108
53	N	23.9	Very low	23	Very low	147 Å²	147	152.5 Å²	152.5	79%	0.786	80%	0.797	S	S	*	*			trans	-124.5	108	170.8	-131.5	-5.2	0	0	0	109.2	K51	K51-N53 PolarHBondContact O-N 3.37Å
54	Y	23.4	Very low	23.3	Very low	194 Å²	194	157 Å²	157	76%	0.761	80%	0.801	S	S	*	*			trans	44.8	84.1	135.8	-141.7	-90.6	0	0	0	118
55	Q	23.6	Very low	23.3	Very low	176 Å²	176	157.4 Å²	157.4	82%	0.822	80%	0.8	S	S	*	*			trans	-170.6	88.7	148	-111.9	176.7	2.2	0	0	109.8
56	F	24.5	Very low	23.7	Very low	219 Å²	219	155.5 Å²	155.5	96%	0.961	80%	0.798	S	S	*	*			trans	-162.4	58.7	141.4	-110.3	-75.6	0	0	0	108.5
57	S	20.2	Very low	23.8	Very low	81 Å²	81	161.2 Å²	161.2	57%	0.566	81%	0.808	S	S	*	*			trans	-118.2	90.9	161.6	61.3	0	0	0	0	107.7
58	K	22.6	Very low	23.9	Very low	191 Å²	191	159.9 Å²	159.9	83%	0.83	81%	0.806	S	S	*	*			trans	164.6	143.8	147	-94.5	170.6	-179.4	-178.6	0	109.8
59	S	24.4	Very low	24.1	Very low	106 Å²	106	160.8 Å²	160.8	74%	0.741	81%	0.811	S	S	*	*			trans	79.2	99.3	-174	-49.5	0	0	0	0	110.9
60	F	25.1	Very low	24.3	Very low	212 Å²	212	164.6 Å²	164.6	93%	0.93	82%	0.816	S	S	*	*				-141.5	115.9	59.9	-85.9	-95.5	0	0	0	112.1
61	S	19.9	Very low	24.2	Very low	99 Å²	99	165.7 Å²	165.7	69%	0.692	81%	0.813	S	S	*	*			trans	-87.4	152.6	158.3	-166.4	0	0	0	0	108.8
62	T	23.8	Very low	24.3	Very low	124 Å²	124	164.9 Å²	164.9	76%	0.761	81%	0.812	S	S	*	*	S	Bend	trans	72.7	103.5	164.9	66.5	0	0	0	0	120.2
63	S	24	Very low	25	Very low	111 Å²	111	159.3 Å²	159.3	78%	0.776	80%	0.798	S	S	*	*				48.4	92.7	121.4	-176	0	0	0	0	119.3
64	I	27.9	Very low	25.1	Very low	172 Å²	172	158.9 Å²	158.9	88%	0.882	80%	0.795	S	S	*	*			trans	-136.2	122.7	146	-60.6	-177.6	0	0	0	109.9
65	K	23.6	Very low	25.1	Very low	186 Å²	186	156.6 Å²	156.6	81%	0.809	79%	0.794	S	S	*	*			trans	-70.7	158.6	177.4	-76.3	177.6	177.2	174.4	0	112.1
66	P	30.6	Very low	25.2	Very low	125 Å²	125	156 Å²	156	81%	0.812	80%	0.795	S	S	*	*			trans	-88.3	131.4	-171.7	34.5	-31	0	0	0	112.1
67	R	25.3	Very low	25.5	Very low	226 Å²	226	150.3 Å²	150.3	85%	0.853	78%	0.783	S	S	*	*			trans	-144.1	106.9	158.4	-91.3	-171.3	175.5	173.1	-2.1	109.9
68	T	23	Very low	25.7	Very low	124 Å²	124	156.3 Å²	156.3	76%	0.761	80%	0.799	S	S	*	*			trans	28	102.5	132.1	53.6	0	0	0	0	117.6
69	I	27.3	Very low	25.9	Very low	160 Å²	160	154.5 Å²	154.5	82%	0.821	80%	0.796	S	S	*	*			trans	-136.1	94.7	156.7	-60.6	178.1	0	0	0	104.6
70	F	25.5	Very low	26.2	Very low	195 Å²	195	154.1 Å²	154.1	86%	0.855	79%	0.794	S	S	*	*				72.9	124.6	97.3	-94.5	-83.2	0	0	0	114.6
71	Y	22	Very low	26.4	Very low	220 Å²	220	153.6 Å²	153.6	86%	0.863	79%	0.791	S	S	*	*			trans	-68.3	164.4	-179.5	-84.3	-102.3	0	0	0	114
72	Q	25.5	Very low	26.8	Very low	179 Å²	179	156.7 Å²	156.7	84%	0.836	80%	0.799	S	S	*	*			trans	105.5	154.8	154.2	-71.5	-174.5	-55.1	0	0	117.5
73	P	38.8	Very low	27.1	Very low	98 Å²	98	157.3 Å²	157.3	64%	0.636	80%	0.798	S	S	*	*				-138.1	-164.1	-53.1	35.6	-15.6	0	0	0	111.5
74	L	25.2	Very low	27.3	Very low	139 Å²	139	161.5 Å²	161.5	73%	0.728	80%	0.798	S	S	*	*			trans	100.7	107	157.5	-60.9	144.9	0	0	0	115.5
75	I	23.3	Very low	27.4	Very low	146 Å²	146	161.2 Å²	161.2	75%	0.749	80%	0.798	S	S	*	*				63	95.6	77.1	-62	173.6	0	0	0	110.1
76	I	26.2	Very low	27.7	Very low	164 Å²	164	156 Å²	156	84%	0.841	79%	0.785	S	S	*	*			trans	173.5	111	132.1	-81.2	148.4	0	0	0	105.9
77	S	30.4	Very low	27.7	Very low	99 Å²	99	158.3 Å²	158.3	69%	0.692	79%	0.785	S	S	*	*			trans	166.9	68.6	134	-166.4	0	0	0	0	108.7	I79	S77-I79 VanDerWaalsContact C-N 3.29Å
78	F	24.6	Very low	27.9	Very low	206 Å²	206	155.9 Å²	155.9	90%	0.904	78%	0.781	S	S	*	*			trans	-91.3	22.6	174.8	-137	-89.7	0	0	0	112.2
79	I	28	Very low	28.2	Very low	153 Å²	153	159.5 Å²	159.5	79%	0.785	79%	0.786	S	S	*	*			trans	-120	-4	-174	-57.9	-176.1	0	0	0	114.5	S77 K81	S77-I79 VanDerWaalsContact C-N 3.29Å; I79-K81 VanDerWaalsContact C-N 3.31Å; I79-K81 PolarHBondContact O-N 3.04Å
80	S	30.3	Very low	28.3	Very low	99 Å²	99	162.6 Å²	162.6	69%	0.692	79%	0.788	S	S	*	*	G	3₁₀ helix	trans	-80.7	-3.3	177.1	-176.9	0	0	0	0	115.1	L82	S80-L82 VanDerWaalsContact C-N 3.31Å; S80-L82 PolarHBondContact O-N 3.41Å
81	K	28.3	Very low	28.3	Very low	200 Å²	200	164.8 Å²	164.8	87%	0.87	79%	0.79	S	S	*	*	G	3₁₀ helix	trans	-84.6	2	-171.8	-145.9	170	-174.7	176.9	0	114.7	I79	I79-K81 VanDerWaalsContact C-N 3.31Å; I79-K81 PolarHBondContact O-N 3.04Å
82	L	29.6	Very low	28.6	Very low	165 Å²	165	163.1 Å²	163.1	86%	0.864	79%	0.79	S	S	*	*	G	3₁₀ helix	trans	-115.8	2	-173.9	-77.7	173.9	0	0	0	116.9	S80	S80-L82 VanDerWaalsContact C-N 3.31Å; S80-L82 PolarHBondContact O-N 3.41Å
83	D	28.9	Very low	28.6	Very low	136 Å²	136	160.5 Å²	160.5	73%	0.727	79%	0.787	S	S	*	*	S	Bend	trans	-129.5	7.5	-178.9	-117.8	-18.5	0	0	0	117.5	N85	D83-N85 PolarHBondContact O-N 3.29Å
84	Y	27.9	Very low	28	Very low	200 Å²	200	167.2 Å²	167.2	78%	0.784	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	5.1	-177.8	-150	-100.5	0	0	0	115.3
85	N	30.9	Very low	28	Very low	165 Å²	165	166.7 Å²	166.7	88%	0.882	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	0.2	-177.3	-93.7	-20.7	0	0	0	115.4	D83	D83-N85 PolarHBondContact O-N 3.29Å
86	S	29.5	Very low	28.1	Very low	77 Å²	77	166.5 Å²	166.5	54%	0.538	81%	0.806	S	S	.	*	S	Bend	trans	-102.3	-23.7	-177.7	66	0	0	0	0	114.7
87	E	30.2	Very low	28.1	Very low	173 Å²	173	163.9 Å²	163.9	81%	0.808	80%	0.803	S	S	*	*	S	Bend	trans	-92.7	-16.6	-176.6	-79.1	-160.8	142.1	0	0	115.8	K89	E87-K89 VanDerWaalsContact C-N 3.31Å; E87-K89 PolarHBondContact O-N 3.34Å
88	F	30.6	Very low	28	Very low	176 Å²	176	165.2 Å²	165.2	77%	0.772	81%	0.806	S	S	*	*	G	3₁₀ helix	trans	-79.7	-9.4	-177.3	-152.1	-100.6	0	0	0	114.5	R90	F88-R90 VanDerWaalsContact C-N 3.32Å; F88-R90 PolarHBondContact O-N 2.95Å
89	K	29.6	Very low	28.1	Very low	199 Å²	199	166.2 Å²	166.2	87%	0.865	80%	0.804	S	S	*	*	G	3₁₀ helix	trans	-80.5	-2.3	176.8	-95.8	-174.7	178.5	-179.5	0	115.1	E87	E87-K89 VanDerWaalsContact C-N 3.31Å; E87-K89 PolarHBondContact O-N 3.34Å
90	R	28.1	Very low	28	Very low	225 Å²	225	162.3 Å²	162.3	85%	0.849	79%	0.791	S	S	*	*	G	3₁₀ helix	trans	-114.3	9.6	-174.2	-118	-173	-78.9	-172.2	-2.3	116.9	F88	F88-R90 VanDerWaalsContact C-N 3.32Å; F88-R90 PolarHBondContact O-N 2.95Å
91	R	27.1	Very low	27.9	Very low	241 Å²	241	166.1 Å²	166.1	91%	0.909	80%	0.802	S	S	*	*			trans	-118.9	52.1	174	-67.9	-173	-176.4	175.8	3.6	112.6
92	Q	27.9	Very low	28	Very low	185 Å²	185	161.5 Å²	161.5	86%	0.864	79%	0.791	S	S	*	*			trans	-121.1	49.6	170.8	-154.1	175.7	55.4	0	0	110.6
93	T	26.1	Very low	28.3	Very low	125 Å²	125	159.3 Å²	159.3	77%	0.767	79%	0.785	S	S	*	*			trans	-149.8	68.9	169.9	49.1	0	0	0	0	110.7
94	R	24.8	Very low	28.9	Very low	239 Å²	239	156.8 Å²	156.8	90%	0.902	78%	0.778	S	S	*	*			trans	-172.1	97.2	148.7	-102.6	159.3	-168.9	-166.2	3.8	108	I96	R94-I96 VanDerWaalsContact C-N 3.27Å; R94-I96 PolarHBondContact O-N 2.87Å
95	S	24.7	Very low	29.9	Very low	127 Å²	127	153 Å²	153	89%	0.888	77%	0.771	S	S	*	*			trans	-61.8	84.5	170.6	52.8	0	0	0	0	110
96	I	26	Very low	31.3	Very low	142 Å²	142	153 Å²	153	73%	0.728	76%	0.763	S	S	*	*			trans	-83.8	110.9	156.6	-62.2	174.3	0	0	0	104.6	R94 V98	R94-I96 VanDerWaalsContact C-N 3.27Å; R94-I96 PolarHBondContact O-N 2.87Å; I96-V98 VanDerWaalsContact C-N 3.26Å; I96-V98 PolarHBondContact O-N 3.18Å
97	S	25.7	Very low	33.3	Very low	110 Å²	110	150.9 Å²	150.9	77%	0.769	75%	0.748	S	S	*	*			trans	-59.9	94.2	171.2	179.8	0	0	0	0	107.8	R99	S97-R99 PolarHBondContact O-N 3Å
98	V	29.6	Very low	34.8	Very low	126 Å²	126	147.2 Å²	147.2	76%	0.764	74%	0.739	S	S	*	*			trans	-67.1	96.7	161.4	179.6	0	0	0	0	104.3	I96 S100	I96-V98 VanDerWaalsContact C-N 3.26Å; I96-V98 PolarHBondContact O-N 3.18Å; V98-S100 PolarHBondContact O-N 2.9Å
99	R	25.2	Very low	35.9	Very low	228 Å²	228	148.3 Å²	148.3	86%	0.86	75%	0.746	S	S	*	*			trans	-61.8	93.3	168.3	-157.1	-176.5	-138.5	-169.9	5.8	105.7	S97 L101	S97-R99 PolarHBondContact O-N 3Å; R99-L101 PolarHBondContact O-N 3.45Å; R99-L101 VanDerWaalsContact O-N 3.12Å
100	S	27.5	Very low	37	Very low	71 Å²	71	141.7 Å²	141.7	50%	0.497	73%	0.725	S	S	.	*			trans	-44.1	118.6	169.2	169.5	0	0	0	0	108.1	V98 T102	V98-S100 PolarHBondContact O-N 2.9Å; S100-T102 PolarHBondContact O-N 3.29Å; S100-T102 PolarHBondContact O-OG1 2.99Å; S100-T102 WeakPolarHBondContact OG-CG2 3.46Å; S100-T102 PolarHBondContact OG-N 3.39Å; S100-T102 PolarHBondContact OG-OG1 2.94Å
101	L	27.6	Very low	38	Very low	178 Å²	178	136.2 Å²	136.2	93%	0.932	72%	0.717	S	S	*	*			trans	-69.8	34.6	168.9	-80.4	153	0	0	0	111.3	R99 T103	R99-L101 PolarHBondContact O-N 3.45Å; R99-L101 VanDerWaalsContact O-N 3.12Å; L101-T103 PolarHBondContact O-N 2.9Å; L101-T103 VanDerWaalsContact O-N 3.09Å
102	T	30.8	Very low	39.1	Very low	104 Å²	104	131 Å²	131	64%	0.638	72%	0.717	S	S	*	*			trans	-67.8	104.7	156.9	45.7	0	0	0	0	105.6	S100 S104	S100-T102 PolarHBondContact O-N 3.29Å; S100-T102 PolarHBondContact O-OG1 2.99Å; S100-T102 WeakPolarHBondContact OG-CG2 3.46Å; S100-T102 PolarHBondContact OG-N 3.39Å; S100-T102 PolarHBondContact OG-OG1 2.94Å; T102-S104 PolarHBondContact O-N 3.28Å
103	T	34.9	Very low	40.6	Very low	119 Å²	119	129.3 Å²	129.3	73%	0.73	71%	0.707	S	S	*	*			trans	-37.1	118.2	159.4	44.4	0	0	0	0	107.5	L101 N105	L101-T103 PolarHBondContact O-N 2.9Å; L101-T103 VanDerWaalsContact O-N 3.09Å; T103-N105 VanDerWaalsContact C-N 3.25Å; T103-N105 PolarHBondContact O-N 3.33Å
104	S	41.6	Very low	42.5	Very low	83 Å²	83	129.7 Å²	129.7	58%	0.58	70%	0.7	S	S	*	*			trans	-65.4	88.2	-176.3	157.6	0	0	0	0	107.9	T102 K106	T102-S104 PolarHBondContact O-N 3.28Å; S104-K106 PolarHBondContact O-N 3.48Å; S104-K106 WeakPolarHBondContact OG-CB 3.19Å; S104-K106 WeakPolarHBondContact OG-CD 3.36Å; S104-K106 WeakPolarHBondContact OG-CG 3.25Å
105	N	50.3	Low	45.1	Very low	120 Å²	120	122.7 Å²	122.7	64%	0.642	68%	0.676	S	S	*	*			trans	-65.4	54.9	161.4	-78.6	-1	0	0	0	109.3	T103 C107	T103-N105 VanDerWaalsContact C-N 3.25Å; T103-N105 PolarHBondContact O-N 3.33Å; N105-C107 PolarHBondContact O-N 2.76Å
106	K	59.6	Low	48.1	Very low	166 Å²	166	119.2 Å²	119.2	72%	0.722	65%	0.648	S	S	*	*			trans	-85	99.9	170.7	-78.5	-178.2	-174.5	-175.6	0	105.2	S104	S104-K106 PolarHBondContact O-N 3.48Å; S104-K106 WeakPolarHBondContact OG-CB 3.19Å; S104-K106 WeakPolarHBondContact OG-CD 3.36Å; S104-K106 WeakPolarHBondContact OG-CG 3.25Å
107	C	71.3	Confident	51.3	Low	32 Å²	32	113 Å²	113	22%	0.216	62%	0.616	C	S	.	*			trans	-40	130.5	157	-62.5	0	0	0	0	107.8	N105 Q109 C387	N105-C107 PolarHBondContact O-N 2.76Å; C107-Q109 PolarHBondContact O-N 2.91Å; C107-C387 WeakPolarHBondContact CA-SG 3.49Å; C107-C387 HydrophobicContact CB-CB 3.75Å; C107-C387 WeakPolarHBondContact CB-SG 3.44Å; C107-C387 WeakPolarHBondContact SG-CA 3.4Å; C107-C387 WeakPolarHBondContact SG-CB 3.46Å; C107-C387 CovalentContact SG-SG 2.04Å; C107-C387 PolarHBondContact SG-SG 3.23Å
108	P	61.5	Low	54.6	Low	96 Å²	96	108 Å²	108	62%	0.623	58%	0.581	S	S	*	*			trans	-45.9	137.8	174	-24.4	31.5	0	0	0	107.7	S110	P108-S110 PolarHBondContact O-N 3.31Å
109	Q	55	Low	57.9	Low	198 Å²	198	102 Å²	102	93%	0.925	54%	0.544	S	S	*	.			trans	-65.8	73.5	174	-69.8	-165.4	-11.3	0	0	108.3	C107 T111	C107-Q109 PolarHBondContact O-N 2.91Å; Q109-T111 PolarHBondContact O-N 3.21Å
110	S	52.1	Low	61.4	Low	61 Å²	61	91.9 Å²	91.9	43%	0.427	51%	0.506	S	S	.	.			trans	-62.2	118.6	173.9	170.3	0	0	0	0	105.9	P108 S112	P108-S110 PolarHBondContact O-N 3.31Å; S110-S112 PolarHBondContact O-N 3.23Å
111	T	47.6	Very low	64.7	Low	110 Å²	110	93 Å²	93	68%	0.675	50%	0.502	S	S	*	.	S	Bend	trans	-49.7	106.5	-177.6	49	0	0	0	0	110.7	Q109 K113	Q109-T111 PolarHBondContact O-N 3.21Å; T111-K113 PolarHBondContact O-N 2.92Å
112	S	51	Low	68.1	Low	130 Å²	130	84.5 Å²	84.5	91%	0.909	46%	0.458	S	S	*	.	S	Bend	trans	45	9.3	163.6	65.5	0	0	0	0	119.1	S110 Q114	S110-S112 PolarHBondContact O-N 3.23Å; S112-Q114 PolarHBondContact O-N 3.39Å
113	K	59.7	Low	71.1	Confident	150 Å²	150	82.6 Å²	82.6	65%	0.652	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-81.5	119.1	175.6	-77.4	-175.2	179.7	179.5	0	107.2	T111 K115	T111-K113 PolarHBondContact O-N 2.92Å; K113-K115 PolarHBondContact O-N 3.27Å
114	Q	66.5	Low	74.1	Confident	134 Å²	134	77.1 Å²	77.1	63%	0.626	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-54.7	123.6	174.4	-171.8	160.6	30.1	0	0	109.1	S112 P557 Q558	S112-Q114 PolarHBondContact O-N 3.39Å; Q114-P557 HydrophobicContact CG-CB 4.1Å; Q114-Q558 PolarHBondContact NE2-O 3.49Å
115	K	78	Confident	76.7	Confident	92 Å²	92	81.5 Å²	81.5	40%	0.4	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-60.6	138.7	-178.8	-65.8	-176.2	174.7	-177	0	110.3	K113 Q558	K113-K115 PolarHBondContact O-N 3.27Å; K115-Q558 HydrophobicContact CB-CB 4.49Å; K115-Q558 VanDerWaalsContact CD-OE1 3.3Å
116	N	88.8	Confident	78.9	Confident	54 Å²	54	77.8 Å²	77.8	29%	0.289	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	131.2	178.3	-167.1	-10.3	0	0	0	109.8	F118 G388	N116-F118 VanDerWaalsContact C-N 3.26Å; N116-F118 HydrophobicContact CB-CE1 4.38Å; N116-F118 HydrophobicContact CB-CZ 4.5Å; N116-F118 WeakPolarHBondContact OD1-CA 3.45Å; N116-F118 PolarHBondContact OD1-N 3.29Å; N116-G388 VanDerWaalsContact CB-O 3.23Å; N116-G388 WeakPolarHBondContact CB-O 3.21Å; N116-G388 PolarHBondContact N-O 3.12Å; N116-G388 VanDerWaalsContact N-O 3.08Å; N116-G388 VanDerWaalsContact O-CA 3.31Å; N116-G388 WeakPolarHBondContact O-CA 3.42Å
117	T	93.6	Very high	80.8	Confident	10 Å²	10	72.8 Å²	72.8	6%	0.061	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-1.5	172.7	68.1	0	0	0	0	112.5	L119 D146 V148 V556 Q558	T117-L119 PolarHBondContact O-N 3.08Å; T117-L119 VanDerWaalsContact OG1-CB 3.31Å; T117-L119 WeakPolarHBondContact OG1-CB 3.38Å; T117-L119 PolarHBondContact OG1-N 3.06Å; T117-D146 HydrophobicContact CG2-CB 3.89Å; T117-V148 HydrophobicContact CG2-CG1 4.36Å; T117-V556 PolarHBondContact OG1-O 2.91Å; T117-Q558 VanDerWaalsContact CG2-CA 3.49Å; T117-Q558 HydrophobicContact CG2-CB 3.88Å
118	F	95.5	Very high	82.1	Confident	6 Å²	6	71.2 Å²	71.2	3%	0.026	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	51.8	32.9	-168.5	-53.8	-75.2	0	0	0	112.9	N116 W120 F131 G132 Y385 L390 A532 I536	N116-F118 VanDerWaalsContact C-N 3.26Å; N116-F118 HydrophobicContact CB-CE1 4.38Å; N116-F118 HydrophobicContact CB-CZ 4.5Å; N116-F118 WeakPolarHBondContact OD1-CA 3.45Å; N116-F118 PolarHBondContact OD1-N 3.29Å; F118-W120 HydrophobicContact CB-CH2 4.22Å; F118-W120 HydrophobicContact CB-CZ3 4.23Å; F118-W120 HydrophobicContact CD1-CH2 4.37Å; F118-W120 WeakPolarHBondContact O-CZ3 3.33Å; F118-F131 HydrophobicContact CB-CE2 4.36Å; F118-F131 CarbonylContact O-C 3.54Å; F118-F131 VanDerWaalsContact O-CA 3.29Å; F118-F131 WeakPolarHBondContact O-CA 3.31Å; F118-F131 WeakPolarHBondContact O-CD2 3.04Å; F118-G132 PolarHBondContact O-N 3.16Å; F118-Y385 HydrophobicContact CD2-CD2 4.05Å; F118-Y385 AromaticContact CD2-CE2 3.63Å; F118-Y385 HydrophobicContact CD2-CE2 3.63Å; F118-Y385 AromaticContact CE2-CD2 3.77Å; F118-Y385 HydrophobicContact CE2-CD2 3.77Å; F118-Y385 AromaticContact CE2-CE2 3.86Å; F118-Y385 HydrophobicContact CE2-CE2 3.86Å; F118-Y385 HydrophobicContact CE2-CG 4.27Å; F118-Y385 WeakPolarHBondContact CE2-O 3.23Å; F118-Y385 HydrophobicContact CG-CE2 4.14Å; F118-Y385 HydrophobicContact CZ-CD2 4.25Å; F118-L390 HydrophobicContact CD1-CD1 4.43Å; F118-L390 HydrophobicContact CE1-CB 4.27Å; F118-L390 HydrophobicContact CE1-CD1 3.66Å; F118-L390 HydrophobicContact CE1-CG 3.84Å; F118-L390 HydrophobicContact CZ-CB 4.36Å; F118-L390 HydrophobicContact CZ-CD1 3.88Å; F118-L390 HydrophobicContact CZ-CG 3.67Å; F118-A532 HydrophobicContact CD1-CB 4.48Å; F118-I536 HydrophobicContact CD1-CD1 3.99Å; F118-I536 HydrophobicContact CE1-CD1 3.72Å
119	L	97.7	Very high	83.8	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136.3	179.3	-174.7	75.2	0	0	0	109.8	T117 F129 L130 F131 V148 V149 F527 V556	T117-L119 PolarHBondContact O-N 3.08Å; T117-L119 VanDerWaalsContact OG1-CB 3.31Å; T117-L119 WeakPolarHBondContact OG1-CB 3.38Å; T117-L119 PolarHBondContact OG1-N 3.06Å; L119-F129 HydrophobicContact CD1-CB 4.17Å; L119-F129 HydrophobicContact CD1-CD1 4.26Å; L119-F129 HydrophobicContact CD2-CD1 4.46Å; L119-F129 HydrophobicContact CG-CD1 4.44Å; L119-L130 CarbonylContact C-O 3.47Å; L119-L130 WeakPolarHBondContact CA-O 3.28Å; L119-F131 HydrophobicContact CD1-CB 4.08Å; L119-F131 HydrophobicContact CD1-CD2 4.41Å; L119-V148 HydrophobicContact CD2-CG1 3.94Å; L119-V148 HydrophobicContact CD2-CG2 4.42Å; L119-V149 HydrophobicContact CB-CG2 4.07Å; L119-V149 HydrophobicContact CD2-CG2 4.19Å; L119-F527 HydrophobicContact CD1-CE2 4.02Å; L119-F527 HydrophobicContact CD1-CZ 4.34Å; L119-V556 HydrophobicContact CB-CB 4.15Å; L119-V556 HydrophobicContact CB-CG2 4.36Å; L119-V556 HydrophobicContact CD2-CB 3.99Å; L119-V556 HydrophobicContact CD2-CG1 4.15Å; L119-V556 HydrophobicContact CD2-CG2 3.84Å; L119-V556 HydrophobicContact CG-CB 4.23Å; L119-V556 HydrophobicContact CG-CG2 3.96Å; L119-V556 PolarHBondContact O-N 3.09Å
120	W	98.1	Very high	85.9	Confident	16 Å²	16	57.4 Å²	57.4	6%	0.061	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	139.9	174.8	-59.7	-101.7	0	0	0	110.4	F118 F129 L130 F535 I543 I553 I554 P555	F118-W120 HydrophobicContact CB-CH2 4.22Å; F118-W120 HydrophobicContact CB-CZ3 4.23Å; F118-W120 HydrophobicContact CD1-CH2 4.37Å; F118-W120 WeakPolarHBondContact O-CZ3 3.33Å; W120-F129 CarbonylContact O-C 3.57Å; W120-F129 VanDerWaalsContact O-CA 3.29Å; W120-F129 WeakPolarHBondContact O-CA 3.26Å; W120-L130 HydrophobicContact CB-CB 4.31Å; W120-L130 HydrophobicContact CE3-CB 4.32Å; W120-L130 PolarHBondContact N-O 3.15Å; W120-L130 PolarHBondContact O-N 3.41Å; W120-F535 HydrophobicContact CE3-CB 4.41Å; W120-F535 HydrophobicContact CE3-CD2 4.36Å; W120-F535 HydrophobicContact CE3-CG 4.21Å; W120-F535 HydrophobicContact CH2-CB 3.43Å; W120-F535 VanDerWaalsContact CH2-CB 3.43Å; W120-F535 HydrophobicContact CH2-CD2 4.08Å; W120-F535 AromaticContact CH2-CG 3.94Å; W120-F535 HydrophobicContact CH2-CG 3.94Å; W120-F535 HydrophobicContact CZ2-CB 3.9Å; W120-F535 HydrophobicContact CZ3-CB 3.71Å; W120-F535 HydrophobicContact CZ3-CD1 4.45Å; W120-F535 AromaticContact CZ3-CD2 3.59Å; W120-F535 HydrophobicContact CZ3-CD2 3.59Å; W120-F535 HydrophobicContact CZ3-CE2 4.31Å; W120-F535 AromaticContact CZ3-CG 3.66Å; W120-F535 HydrophobicContact CZ3-CG 3.66Å; W120-I543 HydrophobicContact CD2-CD1 3.91Å; W120-I543 HydrophobicContact CG-CD1 4.01Å; W120-I543 HydrophobicContact CZ2-CD1 4.07Å; W120-I553 HydrophobicContact CB-CG2 3.71Å; W120-I553 HydrophobicContact CG-CG2 4.18Å; W120-I554 CarbonylContact C-O 3.58Å; W120-I554 WeakPolarHBondContact CA-O 3.07Å; W120-P555 VanDerWaalsContact CD1-CA 3.43Å
121	K	98.3	Very high	88.1	Confident	94 Å²	94	54.6 Å²	54.6	41%	0.409	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	136.7	170	-75.6	175.5	-179.3	-178.4	0	109.8	T127 F129 I553 I554 V556	K121-T127 HydrophobicContact CB-CG2 4.26Å; K121-T127 HydrophobicContact CG-CG2 4.21Å; K121-F129 HydrophobicContact CD-CE1 4.31Å; K121-F129 HydrophobicContact CG-CD1 3.89Å; K121-F129 HydrophobicContact CG-CE1 3.56Å; K121-I553 WeakPolarHBondContact O-CA 3.11Å; K121-I554 PolarHBondContact N-O 2.96Å; K121-I554 PolarHBondContact O-N 3.35Å; K121-V556 HydrophobicContact CD-CG2 4.16Å; K121-V556 HydrophobicContact CG-CG2 3.77Å
122	I	98.4	Very high	90.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.5	170.4	-45.4	174	0	0	0	107.6	T124 S128 L130 L516 Y551	I122-T124 HydrophobicContact CG2-CG2 3.96Å; I122-T124 PolarHBondContact O-N 2.76Å; I122-S128 PolarHBondContact N-O 3.49Å; I122-S128 PolarHBondContact O-N 2.63Å; I122-L130 HydrophobicContact CD1-CD1 4.36Å; I122-L130 HydrophobicContact CD1-CD2 3.78Å; I122-L130 HydrophobicContact CD1-CG 3.77Å; I122-L130 HydrophobicContact CG1-CD1 4.39Å; I122-L130 HydrophobicContact CG1-CG 4.02Å; I122-L516 HydrophobicContact CD1-CD1 4.07Å; I122-L516 HydrophobicContact CD1-CD2 3.9Å; I122-L516 HydrophobicContact CG2-CD1 4.35Å; I122-Y551 HydrophobicContact CG2-CD1 3.66Å; I122-Y551 HydrophobicContact CG2-CE1 4.46Å; I122-Y551 HydrophobicContact CG2-CG 4.09Å
123	S	94.1	Very high	92.7	Very high	63 Å²	63	43.3 Å²	43.3	44%	0.441	21%	0.212	S	C	.	.			trans	-73.3	44.3	-177.2	68.8	0	0	0	0	114.8	I552	S123-I552 PolarHBondContact N-O 2.74Å; S123-I552 WeakPolarHBondContact OG-CB 3.47Å; S123-I552 PolarHBondContact OG-N 2.74Å; S123-I552 PolarHBondContact OG-O 2.83Å
124	T	97.5	Very high	94.4	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.031	19%	0.186	C	C	.	.			trans	-81.3	167.3	171.9	55.2	0	0	0	0	111.7	I122 P126 T127 S128 L516 E520 Y551	I122-T124 HydrophobicContact CG2-CG2 3.96Å; I122-T124 PolarHBondContact O-N 2.76Å; T124-P126 VanDerWaalsContact C-C 3.49Å; T124-P126 CarbonylContact C-O 3.55Å; T124-P126 WeakPolarHBondContact CB-O 3.32Å; T124-P126 CarbonylContact O-C 3.58Å; T124-P126 PolarHBondContact OG1-O 3.33Å; T124-T127 WeakPolarHBondContact O-CA 3.3Å; T124-T127 PolarHBondContact O-N 3.45Å; T124-S128 WeakPolarHBondContact OG1-CB 3.37Å; T124-S128 PolarHBondContact OG1-N 2.95Å; T124-S128 PolarHBondContact OG1-OG 3.28Å; T124-L516 HydrophobicContact CG2-CD2 3.99Å; T124-E520 VanDerWaalsContact CA-OE1 3.24Å; T124-E520 WeakPolarHBondContact CA-OE1 3.3Å; T124-E520 WeakPolarHBondContact CB-OE1 3.46Å; T124-E520 HydrophobicContact CG2-CG 4.2Å; T124-Y551 HydrophobicContact CG2-CD1 4.13Å; T124-Y551 HydrophobicContact CG2-CE1 3.81Å
125	K	95.9	Very high	95.7	Very high	174 Å²	174	36.8 Å²	36.8	76%	0.757	18%	0.183	S	C	*	.	S	Bend	trans	-119.9	105.5	173.1	-67.6	-179.2	-177.4	176.5	0	110.7	E520	K125-E520 PolarHBondContact N-OE1 3.36Å
126	P	97.4	Very high	96.5	Very high	42 Å²	42	32.8 Å²	32.8	27%	0.273	17%	0.167	S	C	.	.	S	Bend	cis	-71.5	166.4	-2.8	32.6	-38	0	0	0	113.3	T124 S128	T124-P126 VanDerWaalsContact C-C 3.49Å; T124-P126 CarbonylContact C-O 3.55Å; T124-P126 WeakPolarHBondContact CB-O 3.32Å; T124-P126 CarbonylContact O-C 3.58Å; T124-P126 PolarHBondContact OG1-O 3.33Å; P126-S128 PolarHBondContact O-N 3Å
127	T	98.2	Very high	96.7	Very high	61 Å²	61	30.5 Å²	30.5	37%	0.374	16%	0.156	S	C	.	.			trans	-62.4	131.3	-176.8	-58.8	0	0	0	0	112.3	K121 T124 F129 S525	K121-T127 HydrophobicContact CB-CG2 4.26Å; K121-T127 HydrophobicContact CG-CG2 4.21Å; T124-T127 WeakPolarHBondContact O-CA 3.3Å; T124-T127 PolarHBondContact O-N 3.45Å; T127-F129 HydrophobicContact CG2-CE1 4.38Å; T127-F129 HydrophobicContact CG2-CE2 4.29Å; T127-F129 HydrophobicContact CG2-CZ 4.01Å; T127-S525 VanDerWaalsContact O-CB 3.28Å; T127-S525 WeakPolarHBondContact O-CB 3.34Å
128	S	98.6	Very high	96.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	166.7	174.9	-61.9	0	0	0	0	111.4	I122 T124 P126 A526	I122-S128 PolarHBondContact N-O 3.49Å; I122-S128 PolarHBondContact O-N 2.63Å; T124-S128 WeakPolarHBondContact OG1-CB 3.37Å; T124-S128 PolarHBondContact OG1-N 2.95Å; T124-S128 PolarHBondContact OG1-OG 3.28Å; P126-S128 PolarHBondContact O-N 3Å; S128-A526 CarbonylContact C-O 3.56Å; S128-A526 WeakPolarHBondContact CA-O 3.2Å; S128-A526 WeakPolarHBondContact CB-O 3.18Å; S128-A526 PolarHBondContact OG-N 3.27Å; S128-A526 VanDerWaalsContact OG-N 3.08Å
129	F	98.8	Very high	96.9	Very high	4 Å²	4	33 Å²	33	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.1	-171.9	-59.3	-91.8	0	0	0	112.5	L119 W120 K121 T127 S152 A526 F527 F528	L119-F129 HydrophobicContact CD1-CB 4.17Å; L119-F129 HydrophobicContact CD1-CD1 4.26Å; L119-F129 HydrophobicContact CD2-CD1 4.46Å; L119-F129 HydrophobicContact CG-CD1 4.44Å; W120-F129 CarbonylContact O-C 3.57Å; W120-F129 VanDerWaalsContact O-CA 3.29Å; W120-F129 WeakPolarHBondContact O-CA 3.26Å; K121-F129 HydrophobicContact CD-CE1 4.31Å; K121-F129 HydrophobicContact CG-CD1 3.89Å; K121-F129 HydrophobicContact CG-CE1 3.56Å; T127-F129 HydrophobicContact CG2-CE1 4.38Å; T127-F129 HydrophobicContact CG2-CE2 4.29Å; T127-F129 HydrophobicContact CG2-CZ 4.01Å; F129-S152 WeakPolarHBondContact CD1-OG 3.34Å; F129-S152 WeakPolarHBondContact CE1-OG 3.41Å; F129-S152 WeakPolarHBondContact CZ-OG 3.38Å; F129-A526 PolarHBondContact N-O 3.43Å; F129-F527 HydrophobicContact CB-CD2 3.73Å; F129-F527 HydrophobicContact CB-CE2 4.12Å; F129-F527 HydrophobicContact CB-CG 4.46Å; F129-F527 HydrophobicContact CD2-CD2 4.44Å; F129-F527 HydrophobicContact CG-CD2 4.31Å; F129-F528 WeakPolarHBondContact O-CD2 3.42Å; F129-F528 PolarHBondContact O-N 2.95Å
130	L	98.7	Very high	96.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	136.1	164.8	-54.6	169.8	0	0	0	108.3	L119 W120 I122 F528 F535 I542 I543 L546 I553	L119-L130 CarbonylContact C-O 3.47Å; L119-L130 WeakPolarHBondContact CA-O 3.28Å; W120-L130 HydrophobicContact CB-CB 4.31Å; W120-L130 HydrophobicContact CE3-CB 4.32Å; W120-L130 PolarHBondContact N-O 3.15Å; W120-L130 PolarHBondContact O-N 3.41Å; I122-L130 HydrophobicContact CD1-CD1 4.36Å; I122-L130 HydrophobicContact CD1-CD2 3.78Å; I122-L130 HydrophobicContact CD1-CG 3.77Å; I122-L130 HydrophobicContact CG1-CD1 4.39Å; I122-L130 HydrophobicContact CG1-CG 4.02Å; L130-F528 CarbonylContact C-O 3.44Å; L130-F528 HydrophobicContact CD2-CB 3.81Å; L130-F528 HydrophobicContact CD2-CD2 4.01Å; L130-F528 HydrophobicContact CD2-CG 4.07Å; L130-F535 HydrophobicContact CB-CE1 3.87Å; L130-F535 HydrophobicContact CB-CZ 3.98Å; L130-F535 HydrophobicContact CD1-CD1 4.42Å; L130-F535 HydrophobicContact CD1-CE1 3.97Å; L130-F535 HydrophobicContact CD2-CE1 4.33Å; L130-F535 HydrophobicContact CG-CE1 4.26Å; L130-I542 HydrophobicContact CD1-CG2 4.46Å; L130-I543 HydrophobicContact CD1-CG1 4.41Å; L130-L546 HydrophobicContact CD1-CD1 3.81Å; L130-L546 HydrophobicContact CD2-CD1 4.3Å; L130-I553 HydrophobicContact CD1-CG2 4.43Å
131	F	98.5	Very high	96.6	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.009	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130.2	177.3	176.2	-119.3	0	0	0	111.3	F118 L119 T133 I145 V149 L260 L264 Y385 F527 F528 L530 F535	F118-F131 HydrophobicContact CB-CE2 4.36Å; F118-F131 CarbonylContact O-C 3.54Å; F118-F131 VanDerWaalsContact O-CA 3.29Å; F118-F131 WeakPolarHBondContact O-CA 3.31Å; F118-F131 WeakPolarHBondContact O-CD2 3.04Å; L119-F131 HydrophobicContact CD1-CB 4.08Å; L119-F131 HydrophobicContact CD1-CD2 4.41Å; F131-T133 HydrophobicContact CD1-CG2 3.85Å; F131-T133 HydrophobicContact CE1-CG2 3.85Å; F131-I145 HydrophobicContact CZ-CD1 4.09Å; F131-I145 HydrophobicContact CZ-CG1 4.34Å; F131-I145 HydrophobicContact CZ-CG2 4.4Å; F131-V149 HydrophobicContact CD1-CG1 4.12Å; F131-V149 HydrophobicContact CD2-CB 4.49Å; F131-V149 HydrophobicContact CD2-CG1 3.5Å; F131-V149 VanDerWaalsContact CD2-CG1 3.5Å; F131-V149 HydrophobicContact CD2-CG2 4.13Å; F131-V149 HydrophobicContact CE1-CG1 4.07Å; F131-V149 HydrophobicContact CE2-CB 4.35Å; F131-V149 HydrophobicContact CE2-CG1 3.5Å; F131-V149 VanDerWaalsContact CE2-CG1 3.5Å; F131-V149 HydrophobicContact CE2-CG2 3.95Å; F131-V149 HydrophobicContact CG-CG1 3.85Å; F131-V149 HydrophobicContact CZ-CG1 3.79Å; F131-L260 HydrophobicContact CE1-CD2 4.26Å; F131-L264 HydrophobicContact CD1-CD1 4.22Å; F131-L264 HydrophobicContact CE1-CD1 4.08Å; F131-Y385 WeakPolarHBondContact CZ-OH 3.47Å; F131-F527 HydrophobicContact CB-CE1 3.55Å; F131-F527 HydrophobicContact CB-CE2 4.31Å; F131-F527 HydrophobicContact CB-CZ 3.36Å; F131-F527 HydrophobicContact CD1-CE1 4.08Å; F131-F527 HydrophobicContact CD1-CZ 4.06Å; F131-F527 HydrophobicContact CG-CE1 4.15Å; F131-F527 AromaticContact CG-CZ 3.83Å; F131-F527 HydrophobicContact CG-CZ 3.83Å; F131-F528 PolarHBondContact N-O 2.84Å; F131-L530 PolarHBondContact O-N 3.04Å; F131-F535 WeakPolarHBondContact O-CE2 3.29Å
132	G	97.8	Very high	96.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	104.7	177.7	0	0	0	0	0	112.6	F118 Y385 L530	F118-G132 PolarHBondContact O-N 3.16Å; G132-Y385 WeakPolarHBondContact O-CE2 3.39Å; G132-Y385 PolarHBondContact O-OH 3.33Å; G132-L530 CarbonylContact C-O 3.58Å; G132-L530 VanDerWaalsContact CA-O 3.24Å; G132-L530 WeakPolarHBondContact CA-O 3.42Å
133	T	97.7	Very high	96.3	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	161.8	175.3	59.9	0	0	0	0	112.2	F131 L260 D261 L264 A529 L530 G531 A532	F131-T133 HydrophobicContact CD1-CG2 3.85Å; F131-T133 HydrophobicContact CE1-CG2 3.85Å; T133-L260 HydrophobicContact CG2-CD2 4.24Å; T133-D261 WeakPolarHBondContact CB-OD1 3.42Å; T133-D261 PolarHBondContact OG1-OD1 2.77Å; T133-L264 HydrophobicContact CG2-CD1 4.05Å; T133-A529 HydrophobicContact CG2-CB 3.88Å; T133-L530 PolarHBondContact N-O 3.09Å; T133-L530 VanDerWaalsContact OG1-C 3.29Å; T133-L530 PolarHBondContact OG1-O 3.16Å; T133-G531 PolarHBondContact OG1-N 2.89Å; T133-A532 WeakPolarHBondContact O-CB 3.27Å; T133-A532 PolarHBondContact O-N 3.09Å
134	L	94.8	Very high	96.3	Very high	20 Å²	20	36.4 Å²	36.4	11%	0.105	19%	0.19	C	C	.	.			trans	-121.9	130.6	168.2	-178.3	64.6	0	0	0	108.6	V136 V141 L381 I382 Y385	L134-V136 HydrophobicContact CB-CG2 4.26Å; L134-V136 HydrophobicContact CD2-CG1 4.04Å; L134-V136 HydrophobicContact CD2-CG2 3.77Å; L134-V136 HydrophobicContact CG-CB 4.48Å; L134-V136 HydrophobicContact CG-CG1 3.96Å; L134-V136 HydrophobicContact CG-CG2 3.84Å; L134-V136 PolarHBondContact O-N 2.87Å; L134-V141 HydrophobicContact CD2-CG1 4.48Å; L134-L381 HydrophobicContact CD1-CD1 4.42Å; L134-L381 HydrophobicContact CD1-CD2 3.57Å; L134-L381 HydrophobicContact CD1-CG 3.83Å; L134-L381 HydrophobicContact CD2-CG 4.21Å; L134-I382 HydrophobicContact CD2-CG1 4.07Å; L134-Y385 HydrophobicContact CB-CD2 4.03Å; L134-Y385 HydrophobicContact CB-CE2 4.08Å; L134-Y385 HydrophobicContact CB-CG 4.26Å; L134-Y385 HydrophobicContact CD2-CD1 4.49Å; L134-Y385 HydrophobicContact CD2-CD2 4.45Å; L134-Y385 HydrophobicContact CD2-CG 4.05Å
135	H	93.3	Very high	96.1	Very high	126 Å²	126	36.6 Å²	36.6	58%	0.583	19%	0.191	S	C	*	.	S	Bend	trans	-78.3	65.9	-176.9	-165.2	73.4	0	0	0	112.4	D261	H135-D261 IonicContact CG-OD2 3.27Å; H135-D261 IonicContact ND1-OD2 2.77Å; H135-D261 PolarHBondContact ND1-OD2 2.83Å
136	V	93.9	Very high	96	Very high	8 Å²	8	29 Å²	29	5%	0.048	16%	0.159	C	C	.	.	S	Bend	trans	-135.5	163.5	178	-64.9	0	0	0	0	109.2	L134 Y138 V141 V259 L260 T378 I382	L134-V136 HydrophobicContact CB-CG2 4.26Å; L134-V136 HydrophobicContact CD2-CG1 4.04Å; L134-V136 HydrophobicContact CD2-CG2 3.77Å; L134-V136 HydrophobicContact CG-CB 4.48Å; L134-V136 HydrophobicContact CG-CG1 3.96Å; L134-V136 HydrophobicContact CG-CG2 3.84Å; L134-V136 PolarHBondContact O-N 2.87Å; V136-Y138 PolarHBondContact O-N 2.94Å; V136-V141 HydrophobicContact CG2-CG1 3.92Å; V136-V141 HydrophobicContact CG2-CG2 4.46Å; V136-V259 CarbonylContact O-C 3.48Å; V136-V259 WeakPolarHBondContact O-CA 3.28Å; V136-L260 PolarHBondContact O-N 3.4Å; V136-T378 HydrophobicContact CG1-CG2 3.9Å; V136-I382 HydrophobicContact CB-CD1 4.27Å; V136-I382 HydrophobicContact CB-CG1 4.39Å; V136-I382 HydrophobicContact CG1-CD1 4.06Å; V136-I382 HydrophobicContact CG1-CG1 4.01Å; V136-I382 HydrophobicContact CG2-CD1 4.44Å; V136-I382 HydrophobicContact CG2-CG1 4.17Å
137	A	94.7	Very high	95.9	Very high	7 Å²	7	29.3 Å²	29.3	6%	0.058	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-50.9	126.5	173.8	0	0	0	0	0	110.9	T139 H140 D254 V257	A137-T139 PolarHBondContact O-N 3.35Å; A137-H140 PolarHBondContact O-N 3.47Å; A137-D254 HydrophobicContact CB-CB 3.9Å; A137-V257 HydrophobicContact CB-CB 4.08Å; A137-V257 HydrophobicContact CB-CG1 3.82Å
138	Y	96.4	Very high	95.7	Very high	11 Å²	11	27.3 Å²	27.3	4%	0.043	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-57.9	-28.1	-172.1	80.2	-74.7	0	0	0	112.4	V136 H140 V141 W142 V257 P258 F263 P575	V136-Y138 PolarHBondContact O-N 2.94Å; Y138-H140 PolarHBondContact O-N 3.36Å; Y138-H140 VanDerWaalsContact O-N 3.14Å; Y138-V141 PolarHBondContact O-N 3.39Å; Y138-V141 VanDerWaalsContact O-N 3.07Å; Y138-W142 HydrophobicContact CD2-CB 3.86Å; Y138-W142 HydrophobicContact CD2-CG 4.04Å; Y138-W142 WeakPolarHBondContact O-CB 3.39Å; Y138-W142 PolarHBondContact O-N 3.24Å; Y138-V257 HydrophobicContact CD1-CG1 3.75Å; Y138-V257 HydrophobicContact CE1-CG1 3.62Å; Y138-P258 HydrophobicContact CD1-CG 3.82Å; Y138-P258 WeakPolarHBondContact CD1-O 3.38Å; Y138-P258 HydrophobicContact CE1-CG 3.83Å; Y138-P258 PolarHBondContact N-O 2.93Å; Y138-P258 VanDerWaalsContact N-O 3.09Å; Y138-F263 HydrophobicContact CD1-CB 4.22Å; Y138-F263 HydrophobicContact CD1-CD2 4.15Å; Y138-F263 HydrophobicContact CD1-CG 4.18Å; Y138-F263 AromaticContact CD2-CD1 3.91Å; Y138-F263 HydrophobicContact CD2-CD1 3.91Å; Y138-F263 AromaticContact CD2-CD2 3.9Å; Y138-F263 HydrophobicContact CD2-CD2 3.9Å; Y138-F263 AromaticContact CD2-CE1 3.98Å; Y138-F263 HydrophobicContact CD2-CE1 3.98Å; Y138-F263 AromaticContact CD2-CE2 3.97Å; Y138-F263 HydrophobicContact CD2-CE2 3.97Å; Y138-F263 AromaticContact CD2-CG 3.86Å; Y138-F263 HydrophobicContact CD2-CG 3.86Å; Y138-F263 HydrophobicContact CD2-CZ 4.01Å; Y138-F263 HydrophobicContact CE1-CD2 4.23Å; Y138-F263 HydrophobicContact CE2-CD2 4Å; Y138-F263 HydrophobicContact CE2-CE1 4.47Å; Y138-F263 AromaticContact CE2-CE2 3.79Å; Y138-F263 HydrophobicContact CE2-CE2 3.79Å; Y138-F263 HydrophobicContact CE2-CG 4.44Å; Y138-F263 HydrophobicContact CE2-CZ 4.04Å; Y138-F263 HydrophobicContact CG-CB 4Å; Y138-F263 HydrophobicContact CG-CD1 4.06Å; Y138-F263 AromaticContact CG-CD2 3.98Å; Y138-F263 HydrophobicContact CG-CD2 3.98Å; Y138-F263 AromaticContact CG-CG 3.73Å; Y138-F263 HydrophobicContact CG-CG 3.73Å; Y138-P575 WeakPolarHBondContact OH-CA 3.49Å; Y138-P575 WeakPolarHBondContact OH-CB 3.49Å
139	T	95.1	Very high	95.7	Very high	57 Å²	57	27.5 Å²	27.5	35%	0.35	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-58.9	-24.3	178.3	46.5	0	0	0	0	113.9	A137 V141 V257	A137-T139 PolarHBondContact O-N 3.35Å; T139-V141 VanDerWaalsContact C-N 3.34Å; T139-V257 HydrophobicContact CG2-CG1 4.03Å
140	H	94.5	Very high	95.6	Very high	56 Å²	56	28.3 Å²	28.3	26%	0.259	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-78.6	-18.5	178.6	-65.9	-44.5	0	0	0	113.8	A137 Y138 D254 I382 N386	A137-H140 PolarHBondContact O-N 3.47Å; Y138-H140 PolarHBondContact O-N 3.36Å; Y138-H140 VanDerWaalsContact O-N 3.14Å; H140-D254 IonicContact CD2-OD2 3.32Å; H140-D254 IonicContact CE1-OD1 2.75Å; H140-D254 IonicContact CE1-OD2 3.71Å; H140-D254 IonicContact NE2-OD1 3.32Å; H140-D254 PolarHBondContact NE2-OD1 2.97Å; H140-D254 VanDerWaalsContact NE2-OD1 3.08Å; H140-D254 IonicContact NE2-OD2 2.89Å; H140-D254 PolarHBondContact NE2-OD2 3.46Å; H140-I382 HydrophobicContact CB-CD1 4.06Å; H140-I382 HydrophobicContact CB-CG2 4.04Å; H140-N386 PolarHBondContact O-ND2 3.04Å
141	V	95.6	Very high	95.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.9	-23.5	-170.2	-61.8	0	0	0	0	113.6	L134 V136 Y138 T139 S143 Q144 I145 L260 I382 Y385 N386	L134-V141 HydrophobicContact CD2-CG1 4.48Å; V136-V141 HydrophobicContact CG2-CG1 3.92Å; V136-V141 HydrophobicContact CG2-CG2 4.46Å; Y138-V141 PolarHBondContact O-N 3.39Å; Y138-V141 VanDerWaalsContact O-N 3.07Å; T139-V141 VanDerWaalsContact C-N 3.34Å; V141-S143 VanDerWaalsContact C-N 3.34Å; V141-S143 PolarHBondContact O-N 2.95Å; V141-Q144 PolarHBondContact O-N 2.97Å; V141-Q144 PolarHBondContact O-OE1 2.99Å; V141-I145 HydrophobicContact CG2-CD1 4.27Å; V141-I145 WeakPolarHBondContact O-CG1 3.41Å; V141-I145 PolarHBondContact O-N 2.88Å; V141-L260 HydrophobicContact CG2-CB 4.43Å; V141-L260 HydrophobicContact CG2-CD1 4.36Å; V141-L260 HydrophobicContact CG2-CD2 4.01Å; V141-L260 HydrophobicContact CG2-CG 4.5Å; V141-I382 HydrophobicContact CG1-CG2 4.41Å; V141-Y385 HydrophobicContact CB-CD1 4.16Å; V141-Y385 HydrophobicContact CB-CE1 4.06Å; V141-Y385 HydrophobicContact CG1-CD1 3.8Å; V141-Y385 HydrophobicContact CG1-CE1 4.15Å; V141-N386 WeakPolarHBondContact CA-OD1 3.38Å
142	W	96.2	Very high	95.4	Very high	19 Å²	19	30.3 Å²	30.3	7%	0.072	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-34.7	-169.6	-176.1	-109.9	0	0	0	114.7	Y138 Q144 I145 K150 L260 F263 L264 I571	Y138-W142 HydrophobicContact CD2-CB 3.86Å; Y138-W142 HydrophobicContact CD2-CG 4.04Å; Y138-W142 WeakPolarHBondContact O-CB 3.39Å; Y138-W142 PolarHBondContact O-N 3.24Å; W142-Q144 VanDerWaalsContact C-N 3.27Å; W142-Q144 PolarHBondContact O-N 3.13Å; W142-I145 HydrophobicContact CE3-CD1 3.87Å; W142-I145 HydrophobicContact CZ3-CD1 4.29Å; W142-K150 HydrophobicContact CH2-CD 4.17Å; W142-K150 HydrophobicContact CH2-CG 3.82Å; W142-K150 HydrophobicContact CZ2-CD 3.85Å; W142-K150 HydrophobicContact CZ2-CG 4.02Å; W142-K150 WeakPolarHBondContact O-CE 3.44Å; W142-K150 PolarHBondContact O-NZ 2.9Å; W142-L260 HydrophobicContact CE3-CD1 4.08Å; W142-L260 HydrophobicContact CZ3-CD1 4.46Å; W142-F263 AromaticContact CD2-CE1 3.91Å; W142-F263 HydrophobicContact CD2-CE1 3.91Å; W142-F263 HydrophobicContact CE3-CD1 4.25Å; W142-F263 AromaticContact CE3-CE1 3.75Å; W142-F263 HydrophobicContact CE3-CE1 3.75Å; W142-F263 AromaticContact CH2-CE1 3.95Å; W142-F263 HydrophobicContact CH2-CE1 3.95Å; W142-F263 HydrophobicContact CZ2-CE1 4.09Å; W142-F263 HydrophobicContact CZ3-CD1 4.36Å; W142-F263 AromaticContact CZ3-CE1 3.77Å; W142-F263 HydrophobicContact CZ3-CE1 3.77Å; W142-L264 HydrophobicContact CH2-CD2 4.46Å; W142-L264 HydrophobicContact CZ3-CD2 4Å; W142-I571 HydrophobicContact CH2-CG2 3.92Å; W142-I571 HydrophobicContact CZ2-CB 4.44Å; W142-I571 HydrophobicContact CZ2-CG2 3.44Å; W142-I571 VanDerWaalsContact CZ2-CG2 3.44Å
143	S	94.1	Very high	95.5	Very high	92 Å²	92	30.4 Å²	30.4	64%	0.643	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-23.1	175.8	42	0	0	0	0	113.2	V141	V141-S143 VanDerWaalsContact C-N 3.34Å; V141-S143 PolarHBondContact O-N 2.95Å
144	Q	93.6	Very high	95.4	Very high	77 Å²	77	31.4 Å²	31.4	36%	0.36	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-17.9	-177.2	-65.2	83.6	-16	0	0	112.3	V141 W142 D146 N386	V141-Q144 PolarHBondContact O-N 2.97Å; V141-Q144 PolarHBondContact O-OE1 2.99Å; W142-Q144 VanDerWaalsContact C-N 3.27Å; W142-Q144 PolarHBondContact O-N 3.13Å; Q144-D146 PolarHBondContact O-N 3.37Å; Q144-N386 HydrophobicContact CB-CB 4.11Å; Q144-N386 WeakPolarHBondContact CB-OD1 3.48Å; Q144-N386 HydrophobicContact CG-CB 3.97Å
145	I	94.3	Very high	95.5	Very high	10 Å²	10	35.5 Å²	35.5	5%	0.051	20%	0.198	C	C	.	.	S	Bend	trans	-59.5	124	170.5	-72.5	171.5	0	0	0	109.4	F131 V141 W142 V149 K150 L260	F131-I145 HydrophobicContact CZ-CD1 4.09Å; F131-I145 HydrophobicContact CZ-CG1 4.34Å; F131-I145 HydrophobicContact CZ-CG2 4.4Å; V141-I145 HydrophobicContact CG2-CD1 4.27Å; V141-I145 WeakPolarHBondContact O-CG1 3.41Å; V141-I145 PolarHBondContact O-N 2.88Å; W142-I145 HydrophobicContact CE3-CD1 3.87Å; W142-I145 HydrophobicContact CZ3-CD1 4.29Å; I145-V149 HydrophobicContact CG2-CB 3.72Å; I145-V149 HydrophobicContact CG2-CG1 3.86Å; I145-V149 HydrophobicContact CG2-CG2 4.17Å; I145-K150 HydrophobicContact CG2-CG 4.34Å; I145-L260 HydrophobicContact CD1-CD1 3.75Å; I145-L260 HydrophobicContact CD1-CD2 3.78Å; I145-L260 HydrophobicContact CD1-CG 4.44Å
146	D	94.1	Very high	95.7	Very high	13 Å²	13	29.5 Å²	29.5	7%	0.07	17%	0.17	C	C	.	.			trans	-59.4	137.5	-174.6	-166	-72	0	0	0	111.7	T117 Q144 V148 V149 K150 Q558	T117-D146 HydrophobicContact CG2-CB 3.89Å; Q144-D146 PolarHBondContact O-N 3.37Å; D146-V148 HydrophobicContact CB-CG1 4.17Å; D146-V148 PolarHBondContact O-N 2.85Å; D146-V148 WeakPolarHBondContact OD1-CB 3.38Å; D146-V148 WeakPolarHBondContact OD1-CG1 3.34Å; D146-V148 PolarHBondContact OD1-N 3.23Å; D146-V149 HydrophobicContact CB-CG2 4.28Å; D146-V149 VanDerWaalsContact O-CB 3.31Å; D146-V149 WeakPolarHBondContact O-CB 3.3Å; D146-V149 PolarHBondContact O-N 2.85Å; D146-K150 PolarHBondContact O-N 3.32Å; D146-Q558 WeakPolarHBondContact OD2-CG 3.28Å; D146-Q558 PolarHBondContact OD2-NE2 2.87Å
147	P	94.2	Very high	96	Very high	49 Å²	49	32.4 Å²	32.4	32%	0.318	19%	0.185	S	C	.	.	H	α-helix	trans	-51.9	-29.6	176.6	-29.8	36.5	0	0	0	114.8	V149 K150 A151 I568	P147-V149 VanDerWaalsContact C-N 3.27Å; P147-V149 PolarHBondContact O-N 3.34Å; P147-K150 PolarHBondContact O-N 2.88Å; P147-A151 WeakPolarHBondContact O-CB 3.48Å; P147-A151 PolarHBondContact O-N 3.45Å; P147-I568 HydrophobicContact CB-CD1 3.83Å; P147-I568 HydrophobicContact CG-CD1 4.35Å
148	V	95.2	Very high	96.1	Very high	19 Å²	19	32.2 Å²	32.2	12%	0.115	18%	0.183	C	C	.	.	H	α-helix	trans	-62.9	-34.8	176.4	77	0	0	0	0	112	T117 L119 D146 S152 V556	T117-V148 HydrophobicContact CG2-CG1 4.36Å; L119-V148 HydrophobicContact CD2-CG1 3.94Å; L119-V148 HydrophobicContact CD2-CG2 4.42Å; D146-V148 HydrophobicContact CB-CG1 4.17Å; D146-V148 PolarHBondContact O-N 2.85Å; D146-V148 WeakPolarHBondContact OD1-CB 3.38Å; D146-V148 WeakPolarHBondContact OD1-CG1 3.34Å; D146-V148 PolarHBondContact OD1-N 3.23Å; V148-S152 VanDerWaalsContact O-CB 3.29Å; V148-S152 WeakPolarHBondContact O-CB 3.35Å; V148-S152 PolarHBondContact O-N 3.01Å; V148-S152 PolarHBondContact O-OG 3.03Å; V148-V556 HydrophobicContact CG1-CG1 3.89Å; V148-V556 HydrophobicContact CG2-CG1 3.98Å
149	V	97.5	Very high	96.2	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.03	18%	0.181	C	C	.	.	H	α-helix	trans	-65.5	-47.8	175.9	-178.8	0	0	0	0	109.9	L119 F131 I145 D146 P147 A151 S152 F153 F527	L119-V149 HydrophobicContact CB-CG2 4.07Å; L119-V149 HydrophobicContact CD2-CG2 4.19Å; F131-V149 HydrophobicContact CD1-CG1 4.12Å; F131-V149 HydrophobicContact CD2-CB 4.49Å; F131-V149 HydrophobicContact CD2-CG1 3.5Å; F131-V149 VanDerWaalsContact CD2-CG1 3.5Å; F131-V149 HydrophobicContact CD2-CG2 4.13Å; F131-V149 HydrophobicContact CE1-CG1 4.07Å; F131-V149 HydrophobicContact CE2-CB 4.35Å; F131-V149 HydrophobicContact CE2-CG1 3.5Å; F131-V149 VanDerWaalsContact CE2-CG1 3.5Å; F131-V149 HydrophobicContact CE2-CG2 3.95Å; F131-V149 HydrophobicContact CG-CG1 3.85Å; F131-V149 HydrophobicContact CZ-CG1 3.79Å; I145-V149 HydrophobicContact CG2-CB 3.72Å; I145-V149 HydrophobicContact CG2-CG1 3.86Å; I145-V149 HydrophobicContact CG2-CG2 4.17Å; D146-V149 HydrophobicContact CB-CG2 4.28Å; D146-V149 VanDerWaalsContact O-CB 3.31Å; D146-V149 WeakPolarHBondContact O-CB 3.3Å; D146-V149 PolarHBondContact O-N 2.85Å; P147-V149 VanDerWaalsContact C-N 3.27Å; P147-V149 PolarHBondContact O-N 3.34Å; V149-A151 VanDerWaalsContact C-N 3.33Å; V149-A151 PolarHBondContact O-N 3.06Å; V149-S152 PolarHBondContact O-N 3.27Å; V149-F153 WeakPolarHBondContact O-CB 3.33Å; V149-F153 PolarHBondContact O-N 2.91Å; V149-F527 HydrophobicContact CG1-CZ 4.22Å
150	K	96.9	Very high	96.4	Very high	20 Å²	20	29.8 Å²	29.8	9%	0.087	17%	0.168	C	C	.	.	H	α-helix	trans	-59.4	-45	178.7	-63.4	180	-177	174.6	0	110.8	W142 I145 D146 P147 F153 A154 I571	W142-K150 HydrophobicContact CH2-CD 4.17Å; W142-K150 HydrophobicContact CH2-CG 3.82Å; W142-K150 HydrophobicContact CZ2-CD 3.85Å; W142-K150 HydrophobicContact CZ2-CG 4.02Å; W142-K150 WeakPolarHBondContact O-CE 3.44Å; W142-K150 PolarHBondContact O-NZ 2.9Å; I145-K150 HydrophobicContact CG2-CG 4.34Å; D146-K150 PolarHBondContact O-N 3.32Å; P147-K150 PolarHBondContact O-N 2.88Å; K150-F153 PolarHBondContact O-N 3.49Å; K150-A154 WeakPolarHBondContact O-CB 3.13Å; K150-A154 PolarHBondContact O-N 2.92Å; K150-I571 HydrophobicContact CB-CD1 3.98Å; K150-I571 WeakPolarHBondContact O-CD1 3.43Å
151	A	96.5	Very high	96.6	Very high	39 Å²	39	27.3 Å²	27.3	32%	0.322	16%	0.156	S	C	.	.	H	α-helix	trans	-64.9	-44.9	176.4	0	0	0	0	0	112.4	P147 V149 F153 A154 Q155	P147-A151 WeakPolarHBondContact O-CB 3.48Å; P147-A151 PolarHBondContact O-N 3.45Å; V149-A151 VanDerWaalsContact C-N 3.33Å; V149-A151 PolarHBondContact O-N 3.06Å; A151-F153 VanDerWaalsContact C-N 3.34Å; A151-F153 PolarHBondContact O-N 3.09Å; A151-A154 PolarHBondContact O-N 3.47Å; A151-Q155 WeakPolarHBondContact O-CG 3.27Å; A151-Q155 PolarHBondContact O-N 3.26Å
152	S	97.8	Very high	96.7	Very high	5 Å²	5	28.8 Å²	28.8	4%	0.035	16%	0.163	C	C	.	.	H	α-helix	trans	-60	-41.4	175.7	-79.5	0	0	0	0	112.3	F129 V148 V149 Q155 S156	F129-S152 WeakPolarHBondContact CD1-OG 3.34Å; F129-S152 WeakPolarHBondContact CE1-OG 3.41Å; F129-S152 WeakPolarHBondContact CZ-OG 3.38Å; V148-S152 VanDerWaalsContact O-CB 3.29Å; V148-S152 WeakPolarHBondContact O-CB 3.35Å; V148-S152 PolarHBondContact O-N 3.01Å; V148-S152 PolarHBondContact O-OG 3.03Å; V149-S152 PolarHBondContact O-N 3.27Å; S152-Q155 VanDerWaalsContact O-CG 3.3Å; S152-Q155 WeakPolarHBondContact O-CG 3.38Å; S152-S156 PolarHBondContact O-N 2.88Å; S152-S156 PolarHBondContact O-OG 3.19Å
153	F	98.4	Very high	96.8	Very high	3 Å²	3	28.6 Å²	28.6	1%	0.013	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-45.9	173.6	177.7	-88.5	0	0	0	111.9	V149 K150 A151 Q155 S156 V159 L264 E267 A268 L271 K273 F527 I571	V149-F153 WeakPolarHBondContact O-CB 3.33Å; V149-F153 PolarHBondContact O-N 2.91Å; K150-F153 PolarHBondContact O-N 3.49Å; A151-F153 VanDerWaalsContact C-N 3.34Å; A151-F153 PolarHBondContact O-N 3.09Å; F153-Q155 VanDerWaalsContact C-N 3.34Å; F153-Q155 PolarHBondContact O-N 2.97Å; F153-S156 PolarHBondContact O-N 3.44Å; F153-V159 HydrophobicContact CD2-CG1 4.4Å; F153-V159 HydrophobicContact CD2-CG2 4.43Å; F153-V159 HydrophobicContact CE2-CG1 3.84Å; F153-V159 HydrophobicContact CE2-CG2 3.97Å; F153-V159 HydrophobicContact CZ-CG2 4.4Å; F153-L264 HydrophobicContact CD2-CD2 4.15Å; F153-L264 HydrophobicContact CE2-CB 4.19Å; F153-L264 HydrophobicContact CE2-CD2 3.98Å; F153-L264 HydrophobicContact CZ-CD2 4.32Å; F153-L264 WeakPolarHBondContact CZ-O 3.38Å; F153-E267 HydrophobicContact CE1-CB 4.26Å; F153-E267 HydrophobicContact CE1-CG 4.01Å; F153-E267 HydrophobicContact CZ-CB 4.24Å; F153-E267 HydrophobicContact CZ-CG 4.49Å; F153-A268 HydrophobicContact CZ-CB 3.97Å; F153-L271 HydrophobicContact CE1-CD1 4.02Å; F153-K273 WeakPolarHBondContact O-CE 3.39Å; F153-F527 HydrophobicContact CB-CD2 4.21Å; F153-F527 HydrophobicContact CB-CE2 3.91Å; F153-F527 HydrophobicContact CB-CZ 4.07Å; F153-F527 AromaticContact CD2-CD1 3.96Å; F153-F527 HydrophobicContact CD2-CD1 3.96Å; F153-F527 AromaticContact CD2-CE1 3.95Å; F153-F527 HydrophobicContact CD2-CE1 3.95Å; F153-F527 HydrophobicContact CD2-CG 4.33Å; F153-F527 HydrophobicContact CD2-CZ 4.31Å; F153-I571 HydrophobicContact CD1-CD1 4.12Å
154	A	96.7	Very high	96.9	Very high	24 Å²	24	25.1 Å²	25.1	20%	0.198	14%	0.138	C	C	.	.	H	α-helix	trans	-63.4	-37.6	-178.9	0	0	0	0	0	112.6	K150 A151 K273 I571	K150-A154 WeakPolarHBondContact O-CB 3.13Å; K150-A154 PolarHBondContact O-N 2.92Å; A151-A154 PolarHBondContact O-N 3.47Å; A154-K273 PolarHBondContact O-NZ 2.98Å; A154-I571 HydrophobicContact CB-CD1 4.33Å
155	Q	96.5	Very high	96.8	Very high	106 Å²	106	23.3 Å²	23.3	50%	0.495	13%	0.13	S	C	.	.	H	α-helix	trans	-79.2	-22.5	-179.7	70.4	176.4	57.2	0	0	114.3	A151 S152 F153	A151-Q155 WeakPolarHBondContact O-CG 3.27Å; A151-Q155 PolarHBondContact O-N 3.26Å; S152-Q155 VanDerWaalsContact O-CG 3.3Å; S152-Q155 WeakPolarHBondContact O-CG 3.38Å; F153-Q155 VanDerWaalsContact C-N 3.34Å; F153-Q155 PolarHBondContact O-N 2.97Å
156	S	98.4	Very high	96.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.138	C	C	.	.			trans	-71.2	144.8	-176.2	-71.2	0	0	0	0	112.8	S152 F153 K273 S525	S152-S156 PolarHBondContact O-N 2.88Å; S152-S156 PolarHBondContact O-OG 3.19Å; F153-S156 PolarHBondContact O-N 3.44Å; S156-K273 PolarHBondContact O-NZ 3.19Å; S156-S525 WeakPolarHBondContact CA-OG 3.15Å
157	D	98.3	Very high	96.6	Very high	69 Å²	69	26.7 Å²	26.7	37%	0.369	15%	0.15	S	C	.	.	S	Bend	trans	-81.5	-41.3	-176.5	-59.6	-73.6	0	0	0	112.7	Q524 S525	D157-Q524 HydrophobicContact CB-CB 3.91Å; D157-Q524 HydrophobicContact CB-CG 4.02Å; D157-S525 PolarHBondContact N-O 2.9Å; D157-S525 PolarHBondContact N-OG 3.1Å; D157-S525 PolarHBondContact OD2-N 2.95Å; D157-S525 PolarHBondContact OD2-OG 3.47Å
158	I	98.4	Very high	96.6	Very high	2 Å²	2	28 Å²	28	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.3	-177.2	-49.6	164.2	0	0	0	109.5	Y160 Q274 A519 Q524 S525 A526 F527	I158-Y160 HydrophobicContact CB-CE2 4.2Å; I158-Y160 HydrophobicContact CG2-CD2 4.12Å; I158-Y160 HydrophobicContact CG2-CE1 4.18Å; I158-Y160 HydrophobicContact CG2-CE2 3.46Å; I158-Y160 VanDerWaalsContact CG2-CE2 3.46Å; I158-Y160 VanDerWaalsContact CG2-CZ 3.5Å; I158-Q274 CarbonylContact C-O 3.46Å; I158-Q274 WeakPolarHBondContact CA-O 3.39Å; I158-Q274 HydrophobicContact CB-CB 4.42Å; I158-Q274 HydrophobicContact CG1-CB 4.11Å; I158-Q274 HydrophobicContact CG2-CB 3.99Å; I158-A519 HydrophobicContact CD1-CB 4.25Å; I158-Q524 HydrophobicContact CD1-CB 4.13Å; I158-S525 PolarHBondContact N-O 3.35Å; I158-A526 CarbonylContact O-C 3.56Å; I158-A526 WeakPolarHBondContact O-CA 3.49Å; I158-F527 PolarHBondContact O-N 2.72Å
159	V	98.6	Very high	96.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.2	177.9	-170.5	0	0	0	0	111.1	F153 F161 A268 K273 Q274 H275 G276 F527	F153-V159 HydrophobicContact CD2-CG1 4.4Å; F153-V159 HydrophobicContact CD2-CG2 4.43Å; F153-V159 HydrophobicContact CE2-CG1 3.84Å; F153-V159 HydrophobicContact CE2-CG2 3.97Å; F153-V159 HydrophobicContact CZ-CG2 4.4Å; V159-F161 HydrophobicContact CB-CE2 4.25Å; V159-F161 HydrophobicContact CB-CZ 4.38Å; V159-F161 HydrophobicContact CG1-CD2 4.5Å; V159-F161 HydrophobicContact CG1-CE1 4.12Å; V159-F161 HydrophobicContact CG1-CE2 3.64Å; V159-F161 HydrophobicContact CG1-CZ 3.4Å; V159-A268 HydrophobicContact CB-CB 4.06Å; V159-A268 HydrophobicContact CG2-CB 3.93Å; V159-K273 HydrophobicContact CG2-CB 4.45Å; V159-K273 HydrophobicContact CG2-CD 3.84Å; V159-Q274 PolarHBondContact N-O 3.44Å; V159-H275 CarbonylContact O-C 3.52Å; V159-H275 WeakPolarHBondContact O-CA 3.5Å; V159-H275 WeakPolarHBondContact O-CB 3.32Å; V159-G276 PolarHBondContact O-N 2.87Å; V159-G276 VanDerWaalsContact O-N 3.09Å; V159-F527 CarbonylContact C-O 3.16Å; V159-F527 VanDerWaalsContact CA-O 3.28Å; V159-F527 WeakPolarHBondContact CA-O 3.43Å; V159-F527 HydrophobicContact CG1-CB 4.47Å; V159-F527 HydrophobicContact CG1-CD1 4.2Å; V159-F527 HydrophobicContact CG2-CB 4.41Å
160	Y	98.7	Very high	96.5	Very high	18 Å²	18	31.4 Å²	31.4	7%	0.071	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.7	176.5	-65	-76.5	0	0	0	111.1	I158 G276 V278 K515 A526 F527 F528 A529	I158-Y160 HydrophobicContact CB-CE2 4.2Å; I158-Y160 HydrophobicContact CG2-CD2 4.12Å; I158-Y160 HydrophobicContact CG2-CE1 4.18Å; I158-Y160 HydrophobicContact CG2-CE2 3.46Å; I158-Y160 VanDerWaalsContact CG2-CE2 3.46Å; I158-Y160 VanDerWaalsContact CG2-CZ 3.5Å; Y160-G276 WeakPolarHBondContact CA-O 3.37Å; Y160-V278 HydrophobicContact CG-CG1 4.5Å; Y160-K515 HydrophobicContact CD1-CG 4.23Å; Y160-K515 HydrophobicContact CD2-CB 4.27Å; Y160-K515 HydrophobicContact CD2-CG 4.4Å; Y160-K515 HydrophobicContact CE1-CD 3.82Å; Y160-K515 HydrophobicContact CE1-CG 3.95Å; Y160-K515 HydrophobicContact CE2-CB 3.82Å; Y160-K515 HydrophobicContact CE2-CG 4.1Å; Y160-K515 HydrophobicContact CG-CG 4.46Å; Y160-A526 HydrophobicContact CD2-CB 4.37Å; Y160-A526 HydrophobicContact CE2-CB 4.29Å; Y160-F527 PolarHBondContact N-O 2.84Å; Y160-F528 HydrophobicContact CD2-CD1 4.05Å; Y160-F528 AromaticContact CD2-CE1 3.52Å; Y160-F528 HydrophobicContact CD2-CE1 3.52Å; Y160-F528 AromaticContact CD2-CZ 3.79Å; Y160-F528 HydrophobicContact CD2-CZ 3.79Å; Y160-F528 HydrophobicContact CE2-CE1 4.34Å; Y160-F528 HydrophobicContact CE2-CZ 4.32Å; Y160-F528 HydrophobicContact CG-CD1 4.18Å; Y160-F528 AromaticContact CG-CE1 3.91Å; Y160-F528 HydrophobicContact CG-CE1 3.91Å; Y160-F528 CarbonylContact O-C 3.42Å; Y160-F528 WeakPolarHBondContact O-CA 3.38Å; Y160-A529 PolarHBondContact O-N 2.77Å
161	F	98.6	Very high	96.3	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	173.4	175.5	-58.4	-82	0	0	0	109.9	V159 L163 L264 A265 H275 G276 A277 V278 A529	V159-F161 HydrophobicContact CB-CE2 4.25Å; V159-F161 HydrophobicContact CB-CZ 4.38Å; V159-F161 HydrophobicContact CG1-CD2 4.5Å; V159-F161 HydrophobicContact CG1-CE1 4.12Å; V159-F161 HydrophobicContact CG1-CE2 3.64Å; V159-F161 HydrophobicContact CG1-CZ 3.4Å; F161-L163 WeakPolarHBondContact CB-O 3.3Å; F161-L264 HydrophobicContact CE1-CB 3.63Å; F161-L264 HydrophobicContact CZ-CB 3.97Å; F161-A265 HydrophobicContact CD2-CB 3.95Å; F161-A265 HydrophobicContact CE1-CB 4.17Å; F161-A265 VanDerWaalsContact CE2-CA 3.48Å; F161-A265 HydrophobicContact CE2-CB 3.52Å; F161-A265 HydrophobicContact CG-CB 4.45Å; F161-A265 HydrophobicContact CZ-CB 3.66Å; F161-H275 HydrophobicContact CE2-CB 4.33Å; F161-G276 PolarHBondContact N-O 3.27Å; F161-A277 CarbonylContact O-C 3.59Å; F161-A277 VanDerWaalsContact O-CA 3.25Å; F161-A277 WeakPolarHBondContact O-CA 3.39Å; F161-V278 PolarHBondContact O-N 2.95Å; F161-A529 WeakPolarHBondContact CA-O 2.93Å; F161-A529 HydrophobicContact CD1-CB 3.71Å; F161-A529 HydrophobicContact CE1-CB 3.66Å
162	E	98.4	Very high	96.2	Very high	31 Å²	31	35.1 Å²	35.1	15%	0.145	20%	0.2	C	C	.	.	S	Bend	trans	-57.9	-57	168.3	-68.7	-179.5	-174.4	0	0	110.2	A277 V278 E279 R504 M508 L530 G531 H534	E162-A277 WeakPolarHBondContact O-CB 3.49Å; E162-V278 PolarHBondContact O-N 3.12Å; E162-E279 WeakPolarHBondContact CB-OE2 3.26Å; E162-E279 WeakPolarHBondContact O-CB 3.24Å; E162-E279 PolarHBondContact O-N 3.43Å; E162-R504 IonicContact OE1-NH2 3.05Å; E162-R504 IonicContact OE2-CZ 3.08Å; E162-R504 IonicContact OE2-NH1 3.28Å; E162-R504 IonicContact OE2-NH2 3.73Å; E162-R504 PolarHBondContact OE2-NH2 3.24Å; E162-M508 HydrophobicContact CG-SD 4.28Å; E162-L530 HydrophobicContact CG-CB 4.24Å; E162-L530 HydrophobicContact CG-CD2 3.74Å; E162-G531 WeakPolarHBondContact OE1-CA 3.31Å; E162-G531 PolarHBondContact OE1-N 3.24Å; E162-H534 IonicContact OE1-CD2 3.08Å; E162-H534 PolarHBondContact OE1-CD2 3.36Å; E162-H534 IonicContact OE1-NE2 3.59Å; E162-H534 PolarHBondContact OE1-NE2 3.5Å
163	L	98	Very high	96.2	Very high	15 Å²	15	39.1 Å²	39.1	8%	0.079	22%	0.219	C	C	.	.	S	Bend	trans	-126.8	147.4	171.5	-67.2	-178.4	0	0	0	110.5	F161 L165 T170 L174 E279 V281 Q284	F161-L163 WeakPolarHBondContact CB-O 3.3Å; L163-L165 HydrophobicContact CB-CD2 4.18Å; L163-L165 PolarHBondContact O-N 2.73Å; L163-L165 VanDerWaalsContact O-N 3.13Å; L163-T170 HydrophobicContact CB-CG2 4.14Å; L163-T170 HydrophobicContact CD1-CG2 4.38Å; L163-L174 HydrophobicContact CD1-CD1 3.9Å; L163-L174 HydrophobicContact CD1-CD2 3.94Å; L163-L174 HydrophobicContact CD1-CG 4.21Å; L163-E279 HydrophobicContact CD2-CB 4.25Å; L163-V281 HydrophobicContact CD1-CG2 4.49Å; L163-V281 HydrophobicContact CD2-CG2 4.42Å; L163-Q284 HydrophobicContact CD1-CG 3.93Å; L163-Q284 HydrophobicContact CG-CG 4.26Å
164	D	95.5	Very high	96	Very high	19 Å²	19	40.3 Å²	40.3	10%	0.102	23%	0.225	C	C	.	.			trans	-83.8	88	172.2	-173.8	-2.7	0	0	0	110.7	T166 N167 T170 H275 A277	D164-T166 PolarHBondContact O-N 3.23Å; D164-T166 VanDerWaalsContact O-N 3.17Å; D164-T166 WeakPolarHBondContact OD1-CB 3.43Å; D164-T166 PolarHBondContact OD1-N 3Å; D164-T166 PolarHBondContact OD1-OG1 3.27Å; D164-N167 HydrophobicContact CB-CB 4.32Å; D164-N167 WeakPolarHBondContact O-CB 3.48Å; D164-N167 PolarHBondContact O-N 3.46Å; D164-T170 WeakPolarHBondContact O-CB 3.19Å; D164-H275 IonicContact OD1-CE1 3.68Å; D164-H275 IonicContact OD1-ND1 3.76Å; D164-H275 IonicContact OD2-CE1 3.98Å; D164-H275 PolarHBondContact OD2-CE1 3.39Å; D164-H275 VanDerWaalsContact OD2-CE1 3.28Å; D164-H275 IonicContact OD2-ND1 2.72Å; D164-H275 PolarHBondContact OD2-ND1 2.67Å; D164-H275 VanDerWaalsContact OD2-ND1 3.08Å; D164-A277 HydrophobicContact CB-CB 4.47Å
165	L	92.5	Very high	95.8	Very high	38 Å²	38	42.2 Å²	42.2	20%	0.199	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-3.7	179.4	-58.9	-179.2	0	0	0	113.8	L163 N167 L171 L174 L262	L163-L165 HydrophobicContact CB-CD2 4.18Å; L163-L165 PolarHBondContact O-N 2.73Å; L163-L165 VanDerWaalsContact O-N 3.13Å; L165-N167 VanDerWaalsContact C-N 3.34Å; L165-L171 HydrophobicContact CD2-CD2 4.22Å; L165-L174 HydrophobicContact CD2-CD1 3.8Å; L165-L262 HydrophobicContact CB-CD1 3.87Å; L165-L262 HydrophobicContact CD1-CB 4.47Å
166	T	92.4	Very high	95.7	Very high	36 Å²	36	42.7 Å²	42.7	22%	0.221	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-16.8	170.2	75.3	0	0	0	0	111.9	D164 P168 L262 A265 Q266 H275	D164-T166 PolarHBondContact O-N 3.23Å; D164-T166 VanDerWaalsContact O-N 3.17Å; D164-T166 WeakPolarHBondContact OD1-CB 3.43Å; D164-T166 PolarHBondContact OD1-N 3Å; D164-T166 PolarHBondContact OD1-OG1 3.27Å; T166-P168 WeakPolarHBondContact O-CD 3.32Å; T166-L262 HydrophobicContact CG2-CD1 4.35Å; T166-A265 HydrophobicContact CG2-CB 3.66Å; T166-Q266 HydrophobicContact CG2-CG 4.48Å; T166-H275 PolarHBondContact OG1-CE1 3.35Å
167	N	91.9	Very high	95.6	Very high	59 Å²	59	43.6 Å²	43.6	32%	0.316	25%	0.248	S	C	.	.			trans	-81.3	118.3	178.4	-174.8	-10.6	0	0	0	110.9	D164 L165 V169 T170 L171	D164-N167 HydrophobicContact CB-CB 4.32Å; D164-N167 WeakPolarHBondContact O-CB 3.48Å; D164-N167 PolarHBondContact O-N 3.46Å; L165-N167 VanDerWaalsContact C-N 3.34Å; N167-V169 PolarHBondContact O-N 3.2Å; N167-V169 WeakPolarHBondContact OD1-CB 3.34Å; N167-V169 PolarHBondContact OD1-N 2.68Å; N167-T170 WeakPolarHBondContact O-CB 3.27Å; N167-T170 PolarHBondContact O-N 2.78Å; N167-L171 PolarHBondContact O-N 2.72Å
168	P	93.3	Very high	95.4	Very high	75 Å²	75	42.5 Å²	42.5	49%	0.487	24%	0.241	S	C	.	.	H	α-helix	trans	-64.8	-22.5	179.4	27	-35.6	0	0	0	113.7	T166 A172	T166-P168 WeakPolarHBondContact O-CD 3.32Å; P168-A172 WeakPolarHBondContact O-CB 3.24Å; P168-A172 PolarHBondContact O-N 3.45Å; P168-A172 VanDerWaalsContact O-N 3.12Å
169	V	95.2	Very high	95.2	Very high	80 Å²	80	45 Å²	45	49%	0.485	26%	0.256	S	S	.	.	H	α-helix	trans	-68.1	-48.6	174.7	179.5	0	0	0	0	109.9	N167 L171 A172 E173	N167-V169 PolarHBondContact O-N 3.2Å; N167-V169 WeakPolarHBondContact OD1-CB 3.34Å; N167-V169 PolarHBondContact OD1-N 2.68Å; V169-L171 VanDerWaalsContact C-N 3.3Å; V169-L171 PolarHBondContact O-N 2.9Å; V169-A172 WeakPolarHBondContact O-CB 3.34Å; V169-A172 PolarHBondContact O-N 3.07Å; V169-E173 HydrophobicContact CG1-CG 4.44Å; V169-E173 WeakPolarHBondContact O-CG 3.28Å; V169-E173 PolarHBondContact O-N 3.31Å
170	T	95	Very high	95.1	Very high	17 Å²	17	45.7 Å²	45.7	10%	0.104	26%	0.26	C	S	.	.	H	α-helix	trans	-56.9	-42.9	176.4	-56.5	0	0	0	0	111.8	L163 D164 N167 E173 L174 V281	L163-T170 HydrophobicContact CB-CG2 4.14Å; L163-T170 HydrophobicContact CD1-CG2 4.38Å; D164-T170 WeakPolarHBondContact O-CB 3.19Å; N167-T170 WeakPolarHBondContact O-CB 3.27Å; N167-T170 PolarHBondContact O-N 2.78Å; T170-E173 PolarHBondContact O-N 2.77Å; T170-L174 HydrophobicContact CG2-CD1 4.26Å; T170-L174 WeakPolarHBondContact O-CB 3.45Å; T170-L174 WeakPolarHBondContact O-CG 3.47Å; T170-L174 PolarHBondContact O-N 3.14Å; T170-V281 HydrophobicContact CG2-CG2 3.8Å
171	L	92.9	Very high	94.9	Very high	88 Å²	88	46.8 Å²	46.8	46%	0.461	27%	0.269	S	S	.	.	H	α-helix	trans	-65.7	-37	176.4	-65.4	177.4	0	0	0	113.1	L165 N167 V169 S175	L165-L171 HydrophobicContact CD2-CD2 4.22Å; N167-L171 PolarHBondContact O-N 2.72Å; V169-L171 VanDerWaalsContact C-N 3.3Å; V169-L171 PolarHBondContact O-N 2.9Å; L171-S175 PolarHBondContact O-N 3.35Å; L171-S175 VanDerWaalsContact O-N 3.08Å
172	A	95.2	Very high	94.4	Very high	48 Å²	48	57.3 Å²	57.3	40%	0.397	32%	0.315	S	S	.	.	H	α-helix	trans	-67.6	-46.8	177.1	0	0	0	0	0	111.1	P168 V169 L174 S175 D176	P168-A172 WeakPolarHBondContact O-CB 3.24Å; P168-A172 PolarHBondContact O-N 3.45Å; P168-A172 VanDerWaalsContact O-N 3.12Å; V169-A172 WeakPolarHBondContact O-CB 3.34Å; V169-A172 PolarHBondContact O-N 3.07Å; A172-L174 PolarHBondContact O-N 3.22Å; A172-S175 WeakPolarHBondContact O-CB 2.95Å; A172-S175 PolarHBondContact O-N 3.43Å; A172-S175 VanDerWaalsContact O-N 3.12Å; A172-D176 VanDerWaalsContact O-CG 3.3Å; A172-D176 PolarHBondContact O-N 3.13Å
173	E	96.9	Very high	94.1	Very high	90 Å²	90	62.2 Å²	62.2	42%	0.421	34%	0.342	S	S	.	.	H	α-helix	trans	-62.2	-41.6	177.4	-70.9	174.4	174.3	0	0	112	V169 T170 S175 D176 C177 V281	V169-E173 HydrophobicContact CG1-CG 4.44Å; V169-E173 WeakPolarHBondContact O-CG 3.28Å; V169-E173 PolarHBondContact O-N 3.31Å; T170-E173 PolarHBondContact O-N 2.77Å; E173-S175 VanDerWaalsContact C-N 3.29Å; E173-S175 PolarHBondContact O-N 2.92Å; E173-D176 PolarHBondContact O-N 3.06Å; E173-C177 WeakPolarHBondContact O-CB 3.31Å; E173-C177 PolarHBondContact O-N 3.44Å; E173-V281 HydrophobicContact CB-CB 4.09Å; E173-V281 HydrophobicContact CB-CG1 3.92Å; E173-V281 HydrophobicContact CB-CG2 3.9Å
174	L	94.8	Very high	93.9	Very high	28 Å²	28	65.1 Å²	65.1	15%	0.147	36%	0.356	C	S	.	.	H	α-helix	trans	-61.3	-38.4	173.8	-82.7	169.6	0	0	0	111.8	L163 L165 T170 A172 C177 Q178 V281	L163-L174 HydrophobicContact CD1-CD1 3.9Å; L163-L174 HydrophobicContact CD1-CD2 3.94Å; L163-L174 HydrophobicContact CD1-CG 4.21Å; L165-L174 HydrophobicContact CD2-CD1 3.8Å; T170-L174 HydrophobicContact CG2-CD1 4.26Å; T170-L174 WeakPolarHBondContact O-CB 3.45Å; T170-L174 WeakPolarHBondContact O-CG 3.47Å; T170-L174 PolarHBondContact O-N 3.14Å; A172-L174 PolarHBondContact O-N 3.22Å; L174-C177 PolarHBondContact O-SG 3.01Å; L174-Q178 VanDerWaalsContact O-CG 3.25Å; L174-Q178 WeakPolarHBondContact O-CG 3.32Å; L174-Q178 PolarHBondContact O-NE2 3.31Å; L174-V281 HydrophobicContact CB-CG1 4.5Å; L174-V281 HydrophobicContact CD2-CG1 3.87Å; L174-V281 HydrophobicContact CG-CG1 3.95Å; L174-V281 HydrophobicContact CG-CG2 4.1Å
175	S	92.9	Very high	93.9	Very high	63 Å²	63	67.5 Å²	67.5	44%	0.441	37%	0.371	S	S	.	.	H	α-helix	trans	-66.8	-44.7	175.8	-177.3	0	0	0	0	111	L171 A172 E173 C177 Q178	L171-S175 PolarHBondContact O-N 3.35Å; L171-S175 VanDerWaalsContact O-N 3.08Å; A172-S175 WeakPolarHBondContact O-CB 2.95Å; A172-S175 PolarHBondContact O-N 3.43Å; A172-S175 VanDerWaalsContact O-N 3.12Å; E173-S175 VanDerWaalsContact C-N 3.29Å; E173-S175 PolarHBondContact O-N 2.92Å; S175-C177 PolarHBondContact O-N 3.39Å; S175-Q178 PolarHBondContact O-N 2.83Å
176	D	94.6	Very high	94	Very high	117 Å²	117	66 Å²	66	63%	0.626	36%	0.363	S	S	*	.	H	α-helix	trans	-67.6	-36.2	-176.4	-69.7	-16.7	0	0	0	111.8	A172 E173 Q178 V179	A172-D176 VanDerWaalsContact O-CG 3.3Å; A172-D176 PolarHBondContact O-N 3.13Å; E173-D176 PolarHBondContact O-N 3.06Å; D176-Q178 PolarHBondContact O-N 3.28Å; D176-V179 PolarHBondContact O-N 3.44Å
177	C	95.3	Very high	94.2	Very high	18 Å²	18	68.9 Å²	68.9	12%	0.122	38%	0.381	C	S	.	.	H	α-helix	trans	-69.8	-17.2	-179.4	87.3	0	0	0	0	113.9	E173 L174 S175 C285 N289	E173-C177 WeakPolarHBondContact O-CB 3.31Å; E173-C177 PolarHBondContact O-N 3.44Å; L174-C177 PolarHBondContact O-SG 3.01Å; S175-C177 PolarHBondContact O-N 3.39Å; C177-C285 HydrophobicContact CB-CB 3.53Å; C177-C285 WeakPolarHBondContact CB-SG 3.29Å; C177-C285 WeakPolarHBondContact SG-CB 3.29Å; C177-C285 CovalentContact SG-SG 2.03Å; C177-C285 PolarHBondContact SG-SG 3.5Å; C177-N289 PolarHBondContact O-ND2 2.74Å; C177-N289 VanDerWaalsContact O-ND2 3.11Å
178	Q	94.7	Very high	94.3	Very high	47 Å²	47	71.1 Å²	71.1	22%	0.22	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-19.1	179.9	-66.8	174.7	26.6	0	0	113.6	L174 S175 D176 K235 R236 W239	L174-Q178 VanDerWaalsContact O-CG 3.25Å; L174-Q178 WeakPolarHBondContact O-CG 3.32Å; L174-Q178 PolarHBondContact O-NE2 3.31Å; S175-Q178 PolarHBondContact O-N 2.83Å; D176-Q178 PolarHBondContact O-N 3.28Å; Q178-K235 VanDerWaalsContact OE1-NZ 3.11Å; Q178-R236 PolarHBondContact O-N 2.95Å; Q178-W239 VanDerWaalsContact CA-CD1 3.47Å; Q178-W239 HydrophobicContact CB-CB 4.46Å; Q178-W239 HydrophobicContact CB-CD2 4.1Å; Q178-W239 HydrophobicContact CB-CG 3.93Å; Q178-W239 HydrophobicContact CG-CD2 3.57Å; Q178-W239 HydrophobicContact CG-CE3 3.76Å; Q178-W239 HydrophobicContact CG-CG 3.94Å; Q178-W239 HydrophobicContact CG-CH2 4.19Å; Q178-W239 HydrophobicContact CG-CZ2 4.03Å; Q178-W239 HydrophobicContact CG-CZ3 4.07Å; Q178-W239 VanDerWaalsContact O-CD1 3.3Å
179	V	94.6	Very high	94.3	Very high	53 Å²	53	70 Å²	70	32%	0.321	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-83.7	149.2	-173.2	-174	0	0	0	0	110.2	D176 E234 R236	D176-V179 PolarHBondContact O-N 3.44Å; V179-E234 CarbonylContact C-O 3.52Å; V179-E234 WeakPolarHBondContact CA-O 3.32Å; V179-E234 HydrophobicContact CG1-CB 4.27Å; V179-E234 WeakPolarHBondContact CG1-O 3.28Å; V179-R236 PolarHBondContact O-NE 2.98Å
180	L	95.8	Very high	94.4	Very high	16 Å²	16	66.4 Å²	66.4	8%	0.084	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-60.3	149.1	171.8	-73	166.3	0	0	0	111	I186 L189 E234 R236	L180-I186 HydrophobicContact CD1-CB 4.39Å; L180-L189 HydrophobicContact CD2-CD1 3.43Å; L180-L189 VanDerWaalsContact CD2-CD1 3.43Å; L180-E234 WeakPolarHBondContact CB-O 3.41Å; L180-E234 WeakPolarHBondContact CG-O 3.26Å; L180-E234 PolarHBondContact N-O 2.94Å; L180-R236 HydrophobicContact CD2-CB 4.3Å; L180-R236 HydrophobicContact CD2-CG 4Å; L180-R236 HydrophobicContact CG-CG 4.36Å
181	P	93.6	Very high	94.5	Very high	41 Å²	41	72 Å²	72	27%	0.266	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-54.2	146.6	166.3	-23.2	33.8	0	0	0	111.5	N183 Q184	P181-N183 PolarHBondContact O-N 2.88Å; P181-Q184 HydrophobicContact CB-CB 4.47Å; P181-Q184 HydrophobicContact CB-CG 4.29Å; P181-Q184 HydrophobicContact CG-CG 4.4Å; P181-Q184 PolarHBondContact O-N 3.4Å
182	K	89.6	Confident	94.7	Very high	224 Å²	224	72.2 Å²	72.2	97%	0.974	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-25.1	-173.9	-66.9	-176.5	179	178.5	0	115.2
183	N	92.1	Very high	94.7	Very high	135 Å²	135	75.2 Å²	75.2	72%	0.722	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	5.2	-179.7	65.6	-22.6	0	0	0	113.5	P181	P181-N183 PolarHBondContact O-N 2.88Å
184	Q	93.9	Very high	94.7	Very high	76 Å²	76	71.2 Å²	71.2	36%	0.355	38%	0.381	S	S	.	.			trans	-117.2	147	179.6	-67.7	-174	-0.8	0	0	110.6	P181	P181-Q184 HydrophobicContact CB-CB 4.47Å; P181-Q184 HydrophobicContact CB-CG 4.29Å; P181-Q184 HydrophobicContact CG-CG 4.4Å; P181-Q184 PolarHBondContact O-N 3.4Å
185	T	95	Very high	94.9	Very high	68 Å²	68	70.9 Å²	70.9	42%	0.417	38%	0.379	S	S	.	.			trans	-127.4	160.7	170.5	70.5	0	0	0	0	109.1	T187 N188	T185-T187 PolarHBondContact O-N 3.47Å; T185-T187 VanDerWaalsContact O-N 3.12Å; T185-T187 PolarHBondContact OG1-OG1 2.88Å; T185-N188 WeakPolarHBondContact CB-OD1 3.39Å; T185-N188 PolarHBondContact N-OD1 3.27Å; T185-N188 WeakPolarHBondContact O-CB 3.02Å; T185-N188 PolarHBondContact O-N 2.79Å; T185-N188 PolarHBondContact O-OD1 3.44Å; T185-N188 PolarHBondContact OG1-OD1 3.46Å
186	I	94.9	Very high	95.1	Very high	7 Å²	7	73.8 Å²	73.8	4%	0.036	38%	0.383	C	S	.	.	H	α-helix	trans	-58.7	-26.7	179.1	-163.9	171.4	0	0	0	113	L180 N188 L189 L190 I195 W232 K233 L240	L180-I186 HydrophobicContact CD1-CB 4.39Å; I186-N188 VanDerWaalsContact C-N 3.27Å; I186-N188 PolarHBondContact O-N 3.26Å; I186-L189 PolarHBondContact O-N 2.87Å; I186-L189 VanDerWaalsContact O-N 3.17Å; I186-L190 HydrophobicContact CD1-CD1 3.82Å; I186-L190 HydrophobicContact CG1-CB 4.38Å; I186-L190 HydrophobicContact CG1-CD1 3.69Å; I186-L190 HydrophobicContact CG1-CG 3.99Å; I186-L190 PolarHBondContact O-N 2.84Å; I186-I195 HydrophobicContact CG1-CG1 4.45Å; I186-I195 HydrophobicContact CG2-CD1 4.2Å; I186-W232 HydrophobicContact CD1-CE3 4.01Å; I186-W232 HydrophobicContact CD1-CH2 4.45Å; I186-W232 HydrophobicContact CD1-CZ3 3.51Å; I186-K233 HydrophobicContact CG2-CB 4.2Å; I186-L240 HydrophobicContact CD1-CD1 3.46Å; I186-L240 VanDerWaalsContact CD1-CD1 3.46Å
187	T	95	Very high	95.2	Very high	97 Å²	97	70.8 Å²	70.8	60%	0.595	36%	0.363	S	S	*	.	H	α-helix	trans	-71.6	-21	176.9	60.5	0	0	0	0	113.1	T185 L189 I195	T185-T187 PolarHBondContact O-N 3.47Å; T185-T187 VanDerWaalsContact O-N 3.12Å; T185-T187 PolarHBondContact OG1-OG1 2.88Å; T187-L189 VanDerWaalsContact C-N 3.3Å; T187-I195 HydrophobicContact CG2-CD1 3.86Å
188	N	94	Very high	95.3	Very high	106 Å²	106	70 Å²	70	57%	0.567	36%	0.358	S	S	*	.	H	α-helix	trans	-74.8	-22.2	172	-57.6	106.4	0	0	0	112.2	T185 I186	T185-N188 WeakPolarHBondContact CB-OD1 3.39Å; T185-N188 PolarHBondContact N-OD1 3.27Å; T185-N188 WeakPolarHBondContact O-CB 3.02Å; T185-N188 PolarHBondContact O-N 2.79Å; T185-N188 PolarHBondContact O-OD1 3.44Å; T185-N188 PolarHBondContact OG1-OD1 3.46Å; I186-N188 VanDerWaalsContact C-N 3.27Å; I186-N188 PolarHBondContact O-N 3.26Å
189	L	95.4	Very high	95.4	Very high	50 Å²	50	70 Å²	70	26%	0.262	36%	0.359	S	S	.	.	H	α-helix	trans	-111.5	-34	-170.3	-61.2	179.3	0	0	0	113.7	L180 I186 T187 P237 V293	L180-L189 HydrophobicContact CD2-CD1 3.43Å; L180-L189 VanDerWaalsContact CD2-CD1 3.43Å; I186-L189 PolarHBondContact O-N 2.87Å; I186-L189 VanDerWaalsContact O-N 3.17Å; T187-L189 VanDerWaalsContact C-N 3.3Å; L189-P237 HydrophobicContact CB-CG 4.23Å; L189-P237 HydrophobicContact CD1-CG 4.05Å; L189-V293 HydrophobicContact CB-CG2 4.14Å; L189-V293 HydrophobicContact CD2-CG2 4.41Å
190	L	96.6	Very high	95.4	Very high	6 Å²	6	75.3 Å²	75.3	3%	0.031	37%	0.374	C	S	.	.	S	Bend	trans	-115.1	148.1	-177.1	-57.7	-173.3	0	0	0	111.3	I186 L194 I195 L198 P237 L240 T297 L300	I186-L190 HydrophobicContact CD1-CD1 3.82Å; I186-L190 HydrophobicContact CG1-CB 4.38Å; I186-L190 HydrophobicContact CG1-CD1 3.69Å; I186-L190 HydrophobicContact CG1-CG 3.99Å; I186-L190 PolarHBondContact O-N 2.84Å; L190-L194 HydrophobicContact CB-CD2 4.5Å; L190-L194 HydrophobicContact CD1-CD2 4.37Å; L190-L194 HydrophobicContact CD2-CD2 4.29Å; L190-I195 HydrophobicContact CB-CD1 4.08Å; L190-I195 HydrophobicContact CB-CG1 3.82Å; L190-I195 WeakPolarHBondContact O-CD1 3.32Å; L190-L198 HydrophobicContact CD1-CD1 3.93Å; L190-P237 HydrophobicContact CD2-CB 4.17Å; L190-P237 HydrophobicContact CD2-CG 4.01Å; L190-P237 HydrophobicContact CG-CG 4.33Å; L190-L240 HydrophobicContact CD1-CD1 4.46Å; L190-T297 HydrophobicContact CD2-CG2 4.21Å; L190-T297 VanDerWaalsContact CD2-OG1 3.32Å; L190-T297 WeakPolarHBondContact CD2-OG1 3.3Å; L190-L300 HydrophobicContact CD1-CD1 4.17Å; L190-L300 HydrophobicContact CD2-CD1 4.29Å
191	K	95.8	Very high	95.3	Very high	135 Å²	135	75.3 Å²	75.3	59%	0.587	37%	0.372	S	S	*	.			trans	-64.1	144.4	176.8	-65.7	176.8	-176.2	167.9	0	111	D193 L194 I195	K191-D193 VanDerWaalsContact C-N 3.26Å; K191-D193 PolarHBondContact O-N 3.47Å; K191-D193 VanDerWaalsContact O-N 3.16Å; K191-L194 PolarHBondContact O-N 3.23Å; K191-L194 VanDerWaalsContact O-N 3.08Å; K191-I195 PolarHBondContact O-N 3.37Å; K191-I195 VanDerWaalsContact O-N 3.11Å
192	P	97	Very high	95.3	Very high	92 Å²	92	73.4 Å²	73.4	60%	0.597	36%	0.36	S	S	*	.	H	α-helix	trans	-53.5	-38.4	-179.5	-28.8	35.3	0	0	0	114.5	I195 K196	P192-I195 PolarHBondContact O-N 2.87Å; P192-K196 WeakPolarHBondContact O-CG 3.38Å; P192-K196 PolarHBondContact O-N 3.4Å
193	D	96.7	Very high	95.4	Very high	111 Å²	111	66.3 Å²	66.3	59%	0.594	33%	0.333	S	S	*	.	H	α-helix	trans	-70.4	-36.8	-179.4	-67.1	-28.2	0	0	0	112.6	K191 K196 R197	K191-D193 VanDerWaalsContact C-N 3.26Å; K191-D193 PolarHBondContact O-N 3.47Å; K191-D193 VanDerWaalsContact O-N 3.16Å; D193-K196 PolarHBondContact O-N 3.48Å; D193-K196 IonicContact OD1-NZ 2.84Å; D193-R197 WeakPolarHBondContact O-CG 3.31Å; D193-R197 PolarHBondContact O-N 3Å
194	L	97.1	Very high	95.4	Very high	6 Å²	6	63.7 Å²	63.7	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-64.7	-42.8	173.7	-179.9	57.7	0	0	0	110.7	L190 K191 K196 R197 L198 T297 L300 E301 L304	L190-L194 HydrophobicContact CB-CD2 4.5Å; L190-L194 HydrophobicContact CD1-CD2 4.37Å; L190-L194 HydrophobicContact CD2-CD2 4.29Å; K191-L194 PolarHBondContact O-N 3.23Å; K191-L194 VanDerWaalsContact O-N 3.08Å; L194-K196 VanDerWaalsContact C-N 3.33Å; L194-K196 PolarHBondContact O-N 2.73Å; L194-R197 PolarHBondContact O-N 2.84Å; L194-L198 HydrophobicContact CD1-CD1 4.48Å; L194-L198 HydrophobicContact CD1-CG 4.35Å; L194-L198 HydrophobicContact CG-CD1 4.14Å; L194-L198 HydrophobicContact CG-CG 4.49Å; L194-L198 WeakPolarHBondContact O-CG 3.36Å; L194-L198 PolarHBondContact O-N 3.39Å; L194-T297 HydrophobicContact CD2-CG2 3.78Å; L194-L300 HydrophobicContact CD2-CB 4.42Å; L194-E301 HydrophobicContact CD1-CG 3.94Å; L194-E301 HydrophobicContact CD2-CG 4.03Å; L194-L304 HydrophobicContact CD1-CD2 4.03Å
195	I	97.8	Very high	95.2	Very high	20 Å²	20	60 Å²	60	10%	0.103	30%	0.302	C	S	.	.	H	α-helix	trans	-60.4	-43.6	176.2	-63.8	168.3	0	0	0	110.9	I186 T187 L190 K191 P192 R197 L198 D199 W232	I186-I195 HydrophobicContact CG1-CG1 4.45Å; I186-I195 HydrophobicContact CG2-CD1 4.2Å; T187-I195 HydrophobicContact CG2-CD1 3.86Å; L190-I195 HydrophobicContact CB-CD1 4.08Å; L190-I195 HydrophobicContact CB-CG1 3.82Å; L190-I195 WeakPolarHBondContact O-CD1 3.32Å; K191-I195 PolarHBondContact O-N 3.37Å; K191-I195 VanDerWaalsContact O-N 3.11Å; P192-I195 PolarHBondContact O-N 2.87Å; I195-R197 VanDerWaalsContact C-N 3.32Å; I195-R197 PolarHBondContact O-N 2.87Å; I195-L198 PolarHBondContact O-N 3.35Å; I195-D199 WeakPolarHBondContact O-CB 3.31Å; I195-D199 PolarHBondContact O-N 3.23Å; I195-W232 HydrophobicContact CG2-CH2 4.3Å
196	K	97.7	Very high	94.8	Very high	125 Å²	125	61.2 Å²	61.2	54%	0.543	30%	0.299	S	S	.	.	H	α-helix	trans	-61.9	-38.7	175.9	-73.2	172.3	-172.3	167.2	0	112.4	P192 D193 L194 R200	P192-K196 WeakPolarHBondContact O-CG 3.38Å; P192-K196 PolarHBondContact O-N 3.4Å; D193-K196 PolarHBondContact O-N 3.48Å; D193-K196 IonicContact OD1-NZ 2.84Å; L194-K196 VanDerWaalsContact C-N 3.33Å; L194-K196 PolarHBondContact O-N 2.73Å; K196-R200 WeakPolarHBondContact O-CB 3.42Å; K196-R200 PolarHBondContact O-N 2.61Å
197	R	96.9	Very high	94.5	Very high	54 Å²	54	67.1 Å²	67.1	20%	0.204	33%	0.326	C	S	.	.	H	α-helix	trans	-67.6	-46.3	176.4	-71	176.3	61.4	-159.5	-2.3	111.6	D193 L194 I195 D199 R200 Y201 L304 N305 E308	D193-R197 WeakPolarHBondContact O-CG 3.31Å; D193-R197 PolarHBondContact O-N 3Å; L194-R197 PolarHBondContact O-N 2.84Å; I195-R197 VanDerWaalsContact C-N 3.32Å; I195-R197 PolarHBondContact O-N 2.87Å; R197-D199 VanDerWaalsContact C-N 3.34Å; R197-D199 PolarHBondContact O-N 3.42Å; R197-R200 PolarHBondContact O-N 2.64Å; R197-Y201 WeakPolarHBondContact O-CB 3.24Å; R197-Y201 PolarHBondContact O-N 3.23Å; R197-L304 HydrophobicContact CB-CD2 3.56Å; R197-N305 PolarHBondContact NH1-OD1 3.28Å; R197-N305 PolarHBondContact NH2-OD1 3.49Å; R197-E308 IonicContact CZ-OE2 3.81Å; R197-E308 IonicContact NE-OE1 2.74Å; R197-E308 IonicContact NE-OE2 3.54Å; R197-E308 PolarHBondContact NE-OE2 2.99Å; R197-E308 IonicContact NH2-OE1 3.61Å; R197-E308 IonicContact NH2-OE2 2.66Å; R197-E308 PolarHBondContact NH2-OE2 2.9Å
198	L	96.7	Very high	94.2	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-57.2	-47.7	174.7	-72.3	169.1	0	0	0	111.4	L190 L194 I195 R200 Y201 I202 W232 L244 L304	L190-L198 HydrophobicContact CD1-CD1 3.93Å; L194-L198 HydrophobicContact CD1-CD1 4.48Å; L194-L198 HydrophobicContact CD1-CG 4.35Å; L194-L198 HydrophobicContact CG-CD1 4.14Å; L194-L198 HydrophobicContact CG-CG 4.49Å; L194-L198 WeakPolarHBondContact O-CG 3.36Å; L194-L198 PolarHBondContact O-N 3.39Å; I195-L198 PolarHBondContact O-N 3.35Å; L198-R200 PolarHBondContact O-N 3.47Å; L198-Y201 PolarHBondContact O-N 3.08Å; L198-I202 VanDerWaalsContact O-CB 3.32Å; L198-I202 WeakPolarHBondContact O-CB 3.26Å; L198-I202 VanDerWaalsContact O-CG1 3.29Å; L198-I202 WeakPolarHBondContact O-CG1 3.41Å; L198-I202 PolarHBondContact O-N 3.41Å; L198-W232 HydrophobicContact CB-CH2 3.63Å; L198-W232 HydrophobicContact CB-CZ2 4.47Å; L198-W232 HydrophobicContact CB-CZ3 3.8Å; L198-W232 HydrophobicContact CD1-CZ3 4.04Å; L198-L244 HydrophobicContact CD2-CD1 3.68Å; L198-L304 HydrophobicContact CD2-CD1 4.47Å; L198-L304 HydrophobicContact CD2-CD2 3.93Å; L198-L304 HydrophobicContact CG-CD2 4.09Å
199	D	96.3	Very high	93.9	Very high	46 Å²	46	58.5 Å²	58.5	25%	0.246	28%	0.277	C	S	.	.	H	α-helix	trans	-59.4	-45.6	178.4	-168.9	89.9	0	0	0	111.6	I195 R197 N203 W232 K233	I195-D199 WeakPolarHBondContact O-CB 3.31Å; I195-D199 PolarHBondContact O-N 3.23Å; R197-D199 VanDerWaalsContact C-N 3.34Å; R197-D199 PolarHBondContact O-N 3.42Å; D199-N203 WeakPolarHBondContact O-CB 3.21Å; D199-N203 PolarHBondContact O-N 2.74Å; D199-N203 PolarHBondContact O-ND2 2.04Å; D199-N203 PolarHBondContact OD2-ND2 3.23Å; D199-W232 HydrophobicContact CB-CH2 4.34Å; D199-W232 HydrophobicContact CB-CZ2 3.84Å; D199-K233 WeakPolarHBondContact OD1-CE 3.29Å; D199-K233 IonicContact OD1-NZ 3.74Å; D199-K233 PolarHBondContact OD1-NZ 3.02Å
200	R	95.2	Very high	93.5	Very high	166 Å²	166	58 Å²	58	63%	0.626	28%	0.278	S	S	*	.	H	α-helix	trans	-61.5	-48.3	176	-171.3	-170.9	-51.9	163.5	5.4	112.1	K196 R197 L198 N204	K196-R200 WeakPolarHBondContact O-CB 3.42Å; K196-R200 PolarHBondContact O-N 2.61Å; R197-R200 PolarHBondContact O-N 2.64Å; L198-R200 PolarHBondContact O-N 3.47Å; R200-N204 WeakPolarHBondContact O-CB 3.19Å; R200-N204 PolarHBondContact O-N 3.27Å
201	Y	93.6	Very high	93.1	Very high	15 Å²	15	61.5 Å²	61.5	6%	0.059	31%	0.307	C	S	.	.	H	α-helix	trans	-62.8	-51.5	-179	-178.7	-93.2	0	0	0	111.1	R197 L198 N203 N204 L205 L244 L304 L307 E308 N311	R197-Y201 WeakPolarHBondContact O-CB 3.24Å; R197-Y201 PolarHBondContact O-N 3.23Å; L198-Y201 PolarHBondContact O-N 3.08Å; Y201-N203 PolarHBondContact O-N 2.95Å; Y201-N204 PolarHBondContact O-N 3.24Å; Y201-N204 VanDerWaalsContact O-N 3.15Å; Y201-L205 HydrophobicContact CD1-CD1 4.23Å; Y201-L205 HydrophobicContact CD1-CG 4.34Å; Y201-L205 HydrophobicContact CE1-CD1 3.85Å; Y201-L205 HydrophobicContact CE1-CD2 4.04Å; Y201-L205 HydrophobicContact CE1-CG 4Å; Y201-L205 PolarHBondContact O-N 3.22Å; Y201-L205 VanDerWaalsContact O-N 3.08Å; Y201-L244 HydrophobicContact CD1-CD2 3.83Å; Y201-L244 HydrophobicContact CE1-CD2 3.86Å; Y201-L304 HydrophobicContact CD1-CD1 4.05Å; Y201-L304 HydrophobicContact CD2-CD1 3.94Å; Y201-L304 HydrophobicContact CG-CD1 3.62Å; Y201-L307 HydrophobicContact CE1-CD1 4.17Å; Y201-L307 HydrophobicContact CE2-CB 3.71Å; Y201-E308 HydrophobicContact CD2-CG 4.07Å; Y201-N311 WeakPolarHBondContact CE2-ND2 3.49Å
202	I	93.9	Very high	92.7	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-60.3	-46.3	179.2	-69.2	170.8	0	0	0	110.2	L198 N204 L205 Y225 T229 W232 L244	L198-I202 VanDerWaalsContact O-CB 3.32Å; L198-I202 WeakPolarHBondContact O-CB 3.26Å; L198-I202 VanDerWaalsContact O-CG1 3.29Å; L198-I202 WeakPolarHBondContact O-CG1 3.41Å; L198-I202 PolarHBondContact O-N 3.41Å; I202-N204 VanDerWaalsContact C-N 3.26Å; I202-N204 PolarHBondContact O-N 3.28Å; I202-L205 VanDerWaalsContact O-CB 3.28Å; I202-L205 WeakPolarHBondContact O-CB 3.34Å; I202-L205 PolarHBondContact O-N 3.18Å; I202-Y225 VanDerWaalsContact O-CE2 3.31Å; I202-Y225 WeakPolarHBondContact O-CE2 3.44Å; I202-T229 HydrophobicContact CG2-CG2 3.92Å; I202-W232 HydrophobicContact CD1-CB 4.27Å; I202-W232 HydrophobicContact CD1-CD2 3.47Å; I202-W232 VanDerWaalsContact CD1-CD2 3.47Å; I202-W232 HydrophobicContact CD1-CE3 3.86Å; I202-W232 HydrophobicContact CD1-CG 3.67Å; I202-W232 HydrophobicContact CD1-CZ2 4.3Å; I202-W232 HydrophobicContact CD1-CZ3 4.4Å; I202-L244 HydrophobicContact CG1-CD2 4.44Å
203	N	92.4	Very high	92	Very high	75 Å²	75	54 Å²	54	40%	0.401	27%	0.265	S	S	.	.	H	α-helix	trans	-62.1	-33.9	178.2	-74.9	-35.6	0	0	0	112.8	D199 Y201 L205 R206 Y225	D199-N203 WeakPolarHBondContact O-CB 3.21Å; D199-N203 PolarHBondContact O-N 2.74Å; D199-N203 PolarHBondContact O-ND2 2.04Å; D199-N203 PolarHBondContact OD2-ND2 3.23Å; Y201-N203 PolarHBondContact O-N 2.95Å; N203-L205 VanDerWaalsContact C-N 3.31Å; N203-L205 PolarHBondContact O-N 2.96Å; N203-R206 PolarHBondContact O-N 2.94Å; N203-Y225 PolarHBondContact OD1-OH 3.45Å
204	N	91.8	Very high	91.3	Very high	80 Å²	80	53.4 Å²	53.4	43%	0.428	26%	0.258	S	S	.	.	H	α-helix	trans	-72.3	-22.4	175.1	-169.7	59.7	0	0	0	113.3	R200 Y201 I202 R206 H207 T208	R200-N204 WeakPolarHBondContact O-CB 3.19Å; R200-N204 PolarHBondContact O-N 3.27Å; Y201-N204 PolarHBondContact O-N 3.24Å; Y201-N204 VanDerWaalsContact O-N 3.15Å; I202-N204 VanDerWaalsContact C-N 3.26Å; I202-N204 PolarHBondContact O-N 3.28Å; N204-R206 PolarHBondContact O-N 3.26Å; N204-H207 PolarHBondContact O-N 2.92Å; N204-T208 PolarHBondContact O-N 2.81Å; N204-T208 PolarHBondContact O-OG1 2.84Å; N204-T208 VanDerWaalsContact O-OG1 3.07Å
205	L	89.1	Confident	90.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.5	-26.9	175.7	-72.5	175.9	0	0	0	112.5	Y201 I202 N203 H207 T208 I209 Y225 L247	Y201-L205 HydrophobicContact CD1-CD1 4.23Å; Y201-L205 HydrophobicContact CD1-CG 4.34Å; Y201-L205 HydrophobicContact CE1-CD1 3.85Å; Y201-L205 HydrophobicContact CE1-CD2 4.04Å; Y201-L205 HydrophobicContact CE1-CG 4Å; Y201-L205 PolarHBondContact O-N 3.22Å; Y201-L205 VanDerWaalsContact O-N 3.08Å; I202-L205 VanDerWaalsContact O-CB 3.28Å; I202-L205 WeakPolarHBondContact O-CB 3.34Å; I202-L205 PolarHBondContact O-N 3.18Å; N203-L205 VanDerWaalsContact C-N 3.31Å; N203-L205 PolarHBondContact O-N 2.96Å; L205-H207 VanDerWaalsContact C-N 3.27Å; L205-H207 PolarHBondContact O-N 2.81Å; L205-T208 HydrophobicContact CD2-CG2 4.5Å; L205-T208 PolarHBondContact O-N 3.31Å; L205-T208 VanDerWaalsContact O-N 3.12Å; L205-I209 HydrophobicContact CB-CD1 4.41Å; L205-I209 WeakPolarHBondContact O-CB 3.17Å; L205-I209 WeakPolarHBondContact O-CG1 3.35Å; L205-I209 PolarHBondContact O-N 2.91Å; L205-Y225 HydrophobicContact CB-CD2 4.43Å; L205-Y225 HydrophobicContact CB-CE2 4.33Å; L205-L247 HydrophobicContact CD1-CB 4.05Å; L205-L247 HydrophobicContact CD1-CD1 3.52Å; L205-L247 HydrophobicContact CD1-CG 4.29Å
206	R	87.6	Confident	89.6	Confident	93 Å²	93	66.7 Å²	66.7	35%	0.351	33%	0.33	S	S	.	.	H	α-helix	trans	-53.6	-46.5	174.5	-176.3	-174.9	-69.8	-85.8	10.7	111.7	N203 N204 S210 Y225 E226	N203-R206 PolarHBondContact O-N 2.94Å; N204-R206 PolarHBondContact O-N 3.26Å; R206-S210 WeakPolarHBondContact O-CB 3.18Å; R206-S210 PolarHBondContact O-N 2.86Å; R206-S210 PolarHBondContact O-OG 2.81Å; R206-Y225 HydrophobicContact CB-CD1 4.24Å; R206-Y225 HydrophobicContact CB-CD2 3.86Å; R206-Y225 HydrophobicContact CB-CE1 4.2Å; R206-Y225 HydrophobicContact CB-CE2 3.78Å; R206-Y225 HydrophobicContact CB-CG 4.08Å; R206-Y225 HydrophobicContact CG-CD1 4.24Å; R206-Y225 HydrophobicContact CG-CE1 4.46Å; R206-Y225 HydrophobicContact CG-CG 4.31Å; R206-E226 IonicContact NH1-OE1 3.5Å
207	H	88.2	Confident	88.8	Confident	131 Å²	131	64.5 Å²	64.5	61%	0.606	32%	0.32	S	S	*	.	H	α-helix	trans	-72	-39.6	177.8	-62.8	-62.8	0	0	0	111.5	N204 L205 S210 A211	N204-H207 PolarHBondContact O-N 2.92Å; L205-H207 VanDerWaalsContact C-N 3.27Å; L205-H207 PolarHBondContact O-N 2.81Å; H207-S210 WeakPolarHBondContact O-CB 3.46Å; H207-S210 PolarHBondContact O-N 3.44Å; H207-A211 PolarHBondContact O-N 2.83Å
208	T	88.4	Confident	88.1	Confident	21 Å²	21	68.5 Å²	68.5	13%	0.129	34%	0.339	C	S	.	.	H	α-helix	trans	-63.8	-49.9	-178.8	-53.2	0	0	0	0	111.9	N204 L205 S210 A211 W212	N204-T208 PolarHBondContact O-N 2.81Å; N204-T208 PolarHBondContact O-OG1 2.84Å; N204-T208 VanDerWaalsContact O-OG1 3.07Å; L205-T208 HydrophobicContact CD2-CG2 4.5Å; L205-T208 PolarHBondContact O-N 3.31Å; L205-T208 VanDerWaalsContact O-N 3.12Å; T208-S210 VanDerWaalsContact C-N 3.29Å; T208-S210 PolarHBondContact O-N 3.2Å; T208-A211 WeakPolarHBondContact O-CB 3.43Å; T208-A211 PolarHBondContact O-N 3.23Å; T208-W212 HydrophobicContact CG2-CD2 4Å; T208-W212 HydrophobicContact CG2-CE3 4.39Å; T208-W212 HydrophobicContact CG2-CH2 3.7Å; T208-W212 HydrophobicContact CG2-CZ2 3.22Å; T208-W212 HydrophobicContact CG2-CZ3 4.25Å; T208-W212 PolarHBondContact O-N 2.86Å
209	I	87.3	Confident	87.4	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-60.2	-40.4	175.4	-68.2	172.9	0	0	0	110.7	L205 A211 W212 I213 A221 Y225 I252	L205-I209 HydrophobicContact CB-CD1 4.41Å; L205-I209 WeakPolarHBondContact O-CB 3.17Å; L205-I209 WeakPolarHBondContact O-CG1 3.35Å; L205-I209 PolarHBondContact O-N 2.91Å; I209-A211 PolarHBondContact O-N 2.77Å; I209-W212 HydrophobicContact CG1-CE3 4.16Å; I209-W212 HydrophobicContact CG1-CZ3 4.24Å; I209-W212 PolarHBondContact O-N 3.46Å; I209-I213 HydrophobicContact CG2-CD1 3.75Å; I209-I213 PolarHBondContact O-N 2.95Å; I209-I213 VanDerWaalsContact O-N 3.16Å; I209-A221 HydrophobicContact CG2-CB 4.09Å; I209-Y225 HydrophobicContact CD1-CD2 4.27Å; I209-I252 HydrophobicContact CD1-CD1 4.09Å; I209-I252 HydrophobicContact CG1-CD1 4.38Å; I209-I252 HydrophobicContact CG1-CG1 4.34Å; I209-I252 HydrophobicContact CG2-CG2 4.14Å
210	S	87.8	Confident	86.8	Confident	41 Å²	41	71.7 Å²	71.7	29%	0.287	36%	0.357	S	S	.	.	H	α-helix	trans	-64	-28.3	176.2	-60.9	0	0	0	0	113	R206 H207 T208	R206-S210 WeakPolarHBondContact O-CB 3.18Å; R206-S210 PolarHBondContact O-N 2.86Å; R206-S210 PolarHBondContact O-OG 2.81Å; H207-S210 WeakPolarHBondContact O-CB 3.46Å; H207-S210 PolarHBondContact O-N 3.44Å; T208-S210 VanDerWaalsContact C-N 3.29Å; T208-S210 PolarHBondContact O-N 3.2Å
211	A	88	Confident	86.3	Confident	78 Å²	78	63.9 Å²	63.9	65%	0.645	33%	0.328	S	S	*	.	H	α-helix	trans	-84.3	-25.4	176.1	0	0	0	0	0	113	H207 T208 I209	H207-A211 PolarHBondContact O-N 2.83Å; T208-A211 WeakPolarHBondContact O-CB 3.43Å; T208-A211 PolarHBondContact O-N 3.23Å; I209-A211 PolarHBondContact O-N 2.77Å
212	W	86.9	Confident	85.9	Confident	50 Å²	50	64.9 Å²	64.9	19%	0.189	34%	0.337	C	S	.	.	H	α-helix	trans	-76.4	-30.8	176.7	-68.3	-17.3	0	0	0	113.3	T208 I209 L247 R249 I252	T208-W212 HydrophobicContact CG2-CD2 4Å; T208-W212 HydrophobicContact CG2-CE3 4.39Å; T208-W212 HydrophobicContact CG2-CH2 3.7Å; T208-W212 HydrophobicContact CG2-CZ2 3.22Å; T208-W212 HydrophobicContact CG2-CZ3 4.25Å; T208-W212 PolarHBondContact O-N 2.86Å; I209-W212 HydrophobicContact CG1-CE3 4.16Å; I209-W212 HydrophobicContact CG1-CZ3 4.24Å; I209-W212 PolarHBondContact O-N 3.46Å; W212-L247 WeakPolarHBondContact CH2-O 3.37Å; W212-R249 HydrophobicContact CB-CG 4.17Å; W212-R249 HydrophobicContact CD2-CB 3.86Å; W212-R249 HydrophobicContact CD2-CG 3.98Å; W212-R249 HydrophobicContact CE3-CB 4.27Å; W212-R249 HydrophobicContact CG-CB 4.19Å; W212-R249 HydrophobicContact CG-CG 3.77Å; W212-R249 HydrophobicContact CZ2-CB 4.13Å; W212-I252 HydrophobicContact CE3-CB 4.05Å; W212-I252 HydrophobicContact CE3-CG1 4Å; W212-I252 HydrophobicContact CE3-CG2 4.22Å; W212-I252 HydrophobicContact CZ3-CB 4.34Å; W212-I252 HydrophobicContact CZ3-CG1 3.82Å
213	I	82.7	Confident	85.5	Confident	20 Å²	20	70.1 Å²	70.1	10%	0.103	36%	0.358	C	S	.	.	S	Bend	trans	-95.3	144	-176.8	-67	171.5	0	0	0	109.9	I209 K217 F220 A221 L224 I252	I209-I213 HydrophobicContact CG2-CD1 3.75Å; I209-I213 PolarHBondContact O-N 2.95Å; I209-I213 VanDerWaalsContact O-N 3.16Å; I213-K217 HydrophobicContact CG2-CB 3.39Å; I213-K217 HydrophobicContact CG2-CD 4.32Å; I213-K217 HydrophobicContact CG2-CG 4.5Å; I213-F220 HydrophobicContact CD1-CD1 4.38Å; I213-A221 HydrophobicContact CB-CB 4.19Å; I213-A221 HydrophobicContact CD1-CB 3.69Å; I213-A221 HydrophobicContact CG1-CB 4.49Å; I213-A221 HydrophobicContact CG2-CB 4.3Å; I213-L224 HydrophobicContact CD1-CD1 3.79Å; I213-I252 HydrophobicContact CD1-CG2 4.04Å; I213-I252 HydrophobicContact CG1-CG2 4.38Å
214	E	82.5	Confident	85.2	Confident	99 Å²	99	67.1 Å²	67.1	46%	0.463	34%	0.342	S	S	.	.			trans	-51.7	141.8	176.1	-70.1	158.6	-155.3	0	0	112	E216 K217	E214-E216 PolarHBondContact O-N 2.99Å; E214-E216 VanDerWaalsContact O-N 3.07Å; E214-K217 HydrophobicContact CB-CD 4.39Å; E214-K217 VanDerWaalsContact CD-NZ 3.32Å; E214-K217 WeakPolarHBondContact O-CA 3.35Å; E214-K217 PolarHBondContact O-N 3.08Å; E214-K217 IonicContact OE1-NZ 2.77Å; E214-K217 PolarHBondContact OE1-NZ 2.64Å; E214-K217 VanDerWaalsContact OE2-CE 3.29Å; E214-K217 WeakPolarHBondContact OE2-CE 3.48Å; E214-K217 IonicContact OE2-NZ 3.16Å; E214-K217 PolarHBondContact OE2-NZ 3.04Å
215	P	77.9	Confident	85	Confident	119 Å²	119	64 Å²	64	77%	0.773	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-54.5	-34.4	-176.2	-28.1	34.9	0	0	0	114.6	K217 K218	P215-K217 PolarHBondContact O-N 2.85Å; P215-K218 WeakPolarHBondContact O-CB 3.13Å; P215-K218 PolarHBondContact O-N 2.79Å
216	E	80.1	Confident	84.9	Confident	186 Å²	186	68.6 Å²	68.6	87%	0.869	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-66.4	-21.2	179	-60.8	179.5	-161.2	0	0	113.1	E214	E214-E216 PolarHBondContact O-N 2.99Å; E214-E216 VanDerWaalsContact O-N 3.07Å
217	K	81.5	Confident	84.8	Confident	78 Å²	78	67.9 Å²	67.9	34%	0.339	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-100.8	17.4	-179.5	-67.8	171	-176.5	151.7	0	112.3	I213 E214 P215 V219 F220 A221	I213-K217 HydrophobicContact CG2-CB 3.39Å; I213-K217 HydrophobicContact CG2-CD 4.32Å; I213-K217 HydrophobicContact CG2-CG 4.5Å; E214-K217 HydrophobicContact CB-CD 4.39Å; E214-K217 VanDerWaalsContact CD-NZ 3.32Å; E214-K217 WeakPolarHBondContact O-CA 3.35Å; E214-K217 PolarHBondContact O-N 3.08Å; E214-K217 IonicContact OE1-NZ 2.77Å; E214-K217 PolarHBondContact OE1-NZ 2.64Å; E214-K217 VanDerWaalsContact OE2-CE 3.29Å; E214-K217 WeakPolarHBondContact OE2-CE 3.48Å; E214-K217 IonicContact OE2-NZ 3.16Å; E214-K217 PolarHBondContact OE2-NZ 3.04Å; P215-K217 PolarHBondContact O-N 2.85Å; K217-V219 PolarHBondContact O-N 2.97Å; K217-V219 VanDerWaalsContact O-N 3.1Å; K217-F220 HydrophobicContact CB-CB 4.4Å; K217-F220 WeakPolarHBondContact O-CA 3.49Å; K217-F220 WeakPolarHBondContact O-CB 3.4Å; K217-F220 PolarHBondContact O-N 3.41Å; K217-A221 PolarHBondContact O-N 3.1Å
218	K	82	Confident	84.8	Confident	139 Å²	139	63.2 Å²	63.2	60%	0.604	33%	0.331	S	S	*	.	H	α-helix	trans	-51.3	-37.2	178.5	-173.2	176.6	-177.1	178.2	0	113.8	P215 F220 A221 S222	P215-K218 WeakPolarHBondContact O-CB 3.13Å; P215-K218 PolarHBondContact O-N 2.79Å; K218-F220 VanDerWaalsContact C-N 3.35Å; K218-A221 WeakPolarHBondContact O-CB 3.49Å; K218-A221 PolarHBondContact O-N 3.2Å; K218-S222 PolarHBondContact O-N 3.07Å; K218-S222 PolarHBondContact O-OG 2.83Å
219	V	83.5	Confident	84.8	Confident	76 Å²	76	62.6 Å²	62.6	46%	0.461	33%	0.327	S	S	.	.	H	α-helix	trans	-64.4	-40.7	176.8	177.6	0	0	0	0	111.6	K217 S222 Y223 V589	K217-V219 PolarHBondContact O-N 2.97Å; K217-V219 VanDerWaalsContact O-N 3.1Å; V219-S222 PolarHBondContact O-N 3.05Å; V219-Y223 PolarHBondContact O-N 2.97Å; V219-Y223 VanDerWaalsContact O-N 3.09Å; V219-V589 HydrophobicContact CG1-CB 4.14Å; V219-V589 HydrophobicContact CG1-CG1 3.92Å; V219-V589 HydrophobicContact CG1-CG2 3.26Å
220	F	82.8	Confident	84.7	Confident	38 Å²	38	67.1 Å²	67.1	17%	0.167	35%	0.347	C	S	.	.	H	α-helix	trans	-67.9	-39.1	175.1	179	-114	0	0	0	111.5	I213 K217 K218 S222 Y223 L224	I213-F220 HydrophobicContact CD1-CD1 4.38Å; K217-F220 HydrophobicContact CB-CB 4.4Å; K217-F220 WeakPolarHBondContact O-CA 3.49Å; K217-F220 WeakPolarHBondContact O-CB 3.4Å; K217-F220 PolarHBondContact O-N 3.41Å; K218-F220 VanDerWaalsContact C-N 3.35Å; F220-S222 PolarHBondContact O-N 2.84Å; F220-Y223 HydrophobicContact CD2-CD1 4.32Å; F220-Y223 HydrophobicContact CE2-CD1 4.44Å; F220-Y223 WeakPolarHBondContact O-CB 3.37Å; F220-Y223 PolarHBondContact O-N 3.39Å; F220-L224 HydrophobicContact CD1-CD1 3.91Å; F220-L224 HydrophobicContact CD1-CG 4.34Å; F220-L224 HydrophobicContact CD2-CG 4.42Å; F220-L224 HydrophobicContact CE1-CD1 3.42Å; F220-L224 VanDerWaalsContact CE1-CD1 3.42Å; F220-L224 HydrophobicContact CE1-CD2 4.47Å; F220-L224 HydrophobicContact CE1-CG 4Å; F220-L224 HydrophobicContact CE2-CD1 4.38Å; F220-L224 HydrophobicContact CE2-CD2 4.08Å; F220-L224 HydrophobicContact CE2-CG 4.06Å; F220-L224 HydrophobicContact CZ-CD1 3.69Å; F220-L224 HydrophobicContact CZ-CD2 3.88Å; F220-L224 HydrophobicContact CZ-CG 3.84Å; F220-L224 WeakPolarHBondContact O-CG 3.34Å; F220-L224 PolarHBondContact O-N 2.95Å
221	A	84.4	Confident	84.8	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.008	35%	0.352	C	S	.	.	H	α-helix	trans	-57.7	-47.3	173.7	0	0	0	0	0	112.4	I209 I213 K217 K218 Y223 L224 Y225	I209-A221 HydrophobicContact CG2-CB 4.09Å; I213-A221 HydrophobicContact CB-CB 4.19Å; I213-A221 HydrophobicContact CD1-CB 3.69Å; I213-A221 HydrophobicContact CG1-CB 4.49Å; I213-A221 HydrophobicContact CG2-CB 4.3Å; K217-A221 PolarHBondContact O-N 3.1Å; K218-A221 WeakPolarHBondContact O-CB 3.49Å; K218-A221 PolarHBondContact O-N 3.2Å; A221-Y223 PolarHBondContact O-N 3.1Å; A221-L224 PolarHBondContact O-N 3.17Å; A221-Y225 PolarHBondContact O-N 3.45Å
222	S	85.4	Confident	85.1	Confident	37 Å²	37	65.8 Å²	65.8	26%	0.259	32%	0.324	S	S	.	.	H	α-helix	trans	-61	-43.2	174.9	-65.6	0	0	0	0	112.2	K218 V219 F220 Y225 E226	K218-S222 PolarHBondContact O-N 3.07Å; K218-S222 PolarHBondContact O-OG 2.83Å; V219-S222 PolarHBondContact O-N 3.05Å; F220-S222 PolarHBondContact O-N 2.84Å; S222-Y225 PolarHBondContact O-N 2.98Å; S222-E226 WeakPolarHBondContact O-CB 3.4Å; S222-E226 WeakPolarHBondContact O-CG 3.49Å; S222-E226 PolarHBondContact O-N 2.89Å
223	Y	85.8	Confident	85.5	Confident	110 Å²	110	68 Å²	68	43%	0.431	34%	0.336	S	S	.	.	H	α-helix	trans	-62	-44	177.4	169.7	-99.9	0	0	0	112.7	V219 F220 A221 E226 T227	V219-Y223 PolarHBondContact O-N 2.97Å; V219-Y223 VanDerWaalsContact O-N 3.09Å; F220-Y223 HydrophobicContact CD2-CD1 4.32Å; F220-Y223 HydrophobicContact CE2-CD1 4.44Å; F220-Y223 WeakPolarHBondContact O-CB 3.37Å; F220-Y223 PolarHBondContact O-N 3.39Å; A221-Y223 PolarHBondContact O-N 3.1Å; Y223-E226 PolarHBondContact O-N 3.01Å; Y223-T227 WeakPolarHBondContact CE2-OG1 3.47Å; Y223-T227 VanDerWaalsContact O-CB 3.3Å; Y223-T227 WeakPolarHBondContact O-CB 3.48Å; Y223-T227 PolarHBondContact O-N 3.02Å; Y223-T227 PolarHBondContact O-OG1 3.22Å
224	L	85.4	Confident	86.1	Confident	13 Å²	13	72.2 Å²	72.2	7%	0.068	36%	0.355	C	S	.	.	H	α-helix	trans	-61	-49.1	176.6	-75.6	179.9	0	0	0	110.9	I213 F220 A221 E226 T227 L228 I252 R255	I213-L224 HydrophobicContact CD1-CD1 3.79Å; F220-L224 HydrophobicContact CD1-CD1 3.91Å; F220-L224 HydrophobicContact CD1-CG 4.34Å; F220-L224 HydrophobicContact CD2-CG 4.42Å; F220-L224 HydrophobicContact CE1-CD1 3.42Å; F220-L224 VanDerWaalsContact CE1-CD1 3.42Å; F220-L224 HydrophobicContact CE1-CD2 4.47Å; F220-L224 HydrophobicContact CE1-CG 4Å; F220-L224 HydrophobicContact CE2-CD1 4.38Å; F220-L224 HydrophobicContact CE2-CD2 4.08Å; F220-L224 HydrophobicContact CE2-CG 4.06Å; F220-L224 HydrophobicContact CZ-CD1 3.69Å; F220-L224 HydrophobicContact CZ-CD2 3.88Å; F220-L224 HydrophobicContact CZ-CG 3.84Å; F220-L224 WeakPolarHBondContact O-CG 3.34Å; F220-L224 PolarHBondContact O-N 2.95Å; A221-L224 PolarHBondContact O-N 3.17Å; L224-E226 PolarHBondContact O-N 3.14Å; L224-T227 PolarHBondContact O-N 3.41Å; L224-L228 HydrophobicContact CB-CD1 4.4Å; L224-L228 VanDerWaalsContact O-CB 3.25Å; L224-L228 WeakPolarHBondContact O-CB 3.29Å; L224-L228 WeakPolarHBondContact O-CD1 3.31Å; L224-L228 WeakPolarHBondContact O-CG 3.34Å; L224-L228 PolarHBondContact O-N 2.89Å; L224-I252 HydrophobicContact CD1-CG2 4.3Å; L224-R255 HydrophobicContact CD1-CB 4.24Å; L224-R255 HydrophobicContact CD2-CB 3.7Å; L224-R255 HydrophobicContact CD2-CG 4.31Å
225	Y	88	Confident	86.7	Confident	13 Å²	13	69.2 Å²	69.2	5%	0.051	34%	0.34	C	S	.	.	H	α-helix	trans	-54.7	-54.8	175.6	173.5	-94.1	0	0	0	111.2	I202 N203 L205 R206 I209 A221 S222 T227 L228 T229	I202-Y225 VanDerWaalsContact O-CE2 3.31Å; I202-Y225 WeakPolarHBondContact O-CE2 3.44Å; N203-Y225 PolarHBondContact OD1-OH 3.45Å; L205-Y225 HydrophobicContact CB-CD2 4.43Å; L205-Y225 HydrophobicContact CB-CE2 4.33Å; R206-Y225 HydrophobicContact CB-CD1 4.24Å; R206-Y225 HydrophobicContact CB-CD2 3.86Å; R206-Y225 HydrophobicContact CB-CE1 4.2Å; R206-Y225 HydrophobicContact CB-CE2 3.78Å; R206-Y225 HydrophobicContact CB-CG 4.08Å; R206-Y225 HydrophobicContact CG-CD1 4.24Å; R206-Y225 HydrophobicContact CG-CE1 4.46Å; R206-Y225 HydrophobicContact CG-CG 4.31Å; I209-Y225 HydrophobicContact CD1-CD2 4.27Å; A221-Y225 PolarHBondContact O-N 3.45Å; S222-Y225 PolarHBondContact O-N 2.98Å; Y225-T227 VanDerWaalsContact C-N 3.26Å; Y225-T227 PolarHBondContact O-N 2.91Å; Y225-L228 PolarHBondContact O-N 3.24Å; Y225-T229 HydrophobicContact CD2-CG2 4.21Å; Y225-T229 HydrophobicContact CE2-CG2 4.15Å; Y225-T229 PolarHBondContact O-N 2.88Å; Y225-T229 PolarHBondContact O-OG1 2.88Å
226	E	87.6	Confident	87.6	Confident	98 Å²	98	66.6 Å²	66.6	46%	0.458	32%	0.315	S	S	.	.	H	α-helix	trans	-62.5	-32.1	-176.4	-74.9	173.9	-170.4	0	0	113.1	R206 S222 Y223 L224 K230	R206-E226 IonicContact NH1-OE1 3.5Å; S222-E226 WeakPolarHBondContact O-CB 3.4Å; S222-E226 WeakPolarHBondContact O-CG 3.49Å; S222-E226 PolarHBondContact O-N 2.89Å; Y223-E226 PolarHBondContact O-N 3.01Å; L224-E226 PolarHBondContact O-N 3.14Å; E226-K230 WeakPolarHBondContact O-CB 3.49Å; E226-K230 PolarHBondContact O-N 2.85Å
227	T	85.4	Confident	88.3	Confident	78 Å²	78	58.2 Å²	58.2	48%	0.479	28%	0.277	S	S	.	.	H	α-helix	trans	-81.4	-39	179.7	-56.3	0	0	0	0	112	Y223 L224 Y225	Y223-T227 WeakPolarHBondContact CE2-OG1 3.47Å; Y223-T227 VanDerWaalsContact O-CB 3.3Å; Y223-T227 WeakPolarHBondContact O-CB 3.48Å; Y223-T227 PolarHBondContact O-N 3.02Å; Y223-T227 PolarHBondContact O-OG1 3.22Å; L224-T227 PolarHBondContact O-N 3.41Å; Y225-T227 VanDerWaalsContact C-N 3.26Å; Y225-T227 PolarHBondContact O-N 2.91Å
228	L	86.6	Confident	89.1	Confident	32 Å²	32	55.1 Å²	55.1	17%	0.168	26%	0.263	C	S	.	.	H	α-helix	trans	-78.7	-39	-174.4	-68.8	171.7	0	0	0	112.7	L224 Y225 L247 I252	L224-L228 HydrophobicContact CB-CD1 4.4Å; L224-L228 VanDerWaalsContact O-CB 3.25Å; L224-L228 WeakPolarHBondContact O-CB 3.29Å; L224-L228 WeakPolarHBondContact O-CD1 3.31Å; L224-L228 WeakPolarHBondContact O-CG 3.34Å; L224-L228 PolarHBondContact O-N 2.89Å; Y225-L228 PolarHBondContact O-N 3.24Å; L228-L247 HydrophobicContact CB-CD2 4.19Å; L228-L247 HydrophobicContact CD1-CD2 3.91Å; L228-I252 HydrophobicContact CD1-CD1 3.55Å
229	T	89.4	Confident	89.7	Confident	8 Å²	8	49.9 Å²	49.9	5%	0.049	24%	0.24	C	C	.	.	S	Bend	trans	-103.8	2.2	-174	74.2	0	0	0	0	112.5	I202 Y225 D231 W232 L247	I202-T229 HydrophobicContact CG2-CG2 3.92Å; Y225-T229 HydrophobicContact CD2-CG2 4.21Å; Y225-T229 HydrophobicContact CE2-CG2 4.15Å; Y225-T229 PolarHBondContact O-N 2.88Å; Y225-T229 PolarHBondContact O-OG1 2.88Å; T229-D231 PolarHBondContact O-N 3.38Å; T229-W232 PolarHBondContact O-N 3.29Å; T229-L247 HydrophobicContact CG2-CD1 4.22Å
230	K	84.8	Confident	90.3	Very high	96 Å²	96	46.3 Å²	46.3	42%	0.417	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	138.2	174.2	-139.4	-168.4	157.4	-159.3	0	109.7	E226 W232 T596	E226-K230 WeakPolarHBondContact O-CB 3.49Å; E226-K230 PolarHBondContact O-N 2.85Å; K230-W232 PolarHBondContact O-N 3.47Å; K230-T596 PolarHBondContact NZ-OG1 3.39Å
231	D	89.3	Confident	90.9	Very high	74 Å²	74	45.4 Å²	45.4	40%	0.396	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	25.8	167.2	-46.5	-34.1	0	0	0	112.4	T229 K233 E234	T229-D231 PolarHBondContact O-N 3.38Å; D231-K233 PolarHBondContact O-N 3.43Å; D231-K233 VanDerWaalsContact O-N 3.1Å; D231-E234 HydrophobicContact CB-CB 4.44Å; D231-E234 HydrophobicContact CB-CG 4.23Å; D231-E234 WeakPolarHBondContact O-CA 3.48Å; D231-E234 VanDerWaalsContact O-CB 3.32Å; D231-E234 WeakPolarHBondContact O-CB 3.49Å; D231-E234 PolarHBondContact O-N 3Å
232	W	94.7	Very high	91.3	Very high	16 Å²	16	49.2 Å²	49.2	6%	0.061	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-58.1	-30.5	-179	73.5	-96.1	0	0	0	111.5	I186 I195 L198 D199 I202 T229 K230 E234 K235 L240 L243	I186-W232 HydrophobicContact CD1-CE3 4.01Å; I186-W232 HydrophobicContact CD1-CH2 4.45Å; I186-W232 HydrophobicContact CD1-CZ3 3.51Å; I195-W232 HydrophobicContact CG2-CH2 4.3Å; L198-W232 HydrophobicContact CB-CH2 3.63Å; L198-W232 HydrophobicContact CB-CZ2 4.47Å; L198-W232 HydrophobicContact CB-CZ3 3.8Å; L198-W232 HydrophobicContact CD1-CZ3 4.04Å; D199-W232 HydrophobicContact CB-CH2 4.34Å; D199-W232 HydrophobicContact CB-CZ2 3.84Å; I202-W232 HydrophobicContact CD1-CB 4.27Å; I202-W232 HydrophobicContact CD1-CD2 3.47Å; I202-W232 VanDerWaalsContact CD1-CD2 3.47Å; I202-W232 HydrophobicContact CD1-CE3 3.86Å; I202-W232 HydrophobicContact CD1-CG 3.67Å; I202-W232 HydrophobicContact CD1-CZ2 4.3Å; I202-W232 HydrophobicContact CD1-CZ3 4.4Å; T229-W232 PolarHBondContact O-N 3.29Å; K230-W232 PolarHBondContact O-N 3.47Å; W232-E234 PolarHBondContact O-N 3.38Å; W232-K235 WeakPolarHBondContact O-CB 3.35Å; W232-K235 PolarHBondContact O-N 3.32Å; W232-L240 HydrophobicContact CB-CD2 3.98Å; W232-L240 HydrophobicContact CE3-CD1 4.03Å; W232-L240 HydrophobicContact CE3-CD2 3.85Å; W232-L240 HydrophobicContact CZ3-CD1 4.26Å; W232-L240 WeakPolarHBondContact O-CD2 3.42Å; W232-L243 HydrophobicContact CB-CD2 4.44Å
233	K	95.5	Very high	91.6	Very high	98 Å²	98	48.2 Å²	48.2	43%	0.426	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-66.2	-14.7	175	-64.2	-177.7	-179.2	172.5	0	113.7	I186 D199 D231	I186-K233 HydrophobicContact CG2-CB 4.2Å; D199-K233 WeakPolarHBondContact OD1-CE 3.29Å; D199-K233 IonicContact OD1-NZ 3.74Å; D199-K233 PolarHBondContact OD1-NZ 3.02Å; D231-K233 PolarHBondContact O-N 3.43Å; D231-K233 VanDerWaalsContact O-N 3.1Å
234	E	94.8	Very high	91.9	Very high	108 Å²	108	43.1 Å²	43.1	51%	0.505	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-94.7	-8.7	175	-54.8	-176.6	-179.9	0	0	112.1	V179 L180 D231 W232	V179-E234 CarbonylContact C-O 3.52Å; V179-E234 WeakPolarHBondContact CA-O 3.32Å; V179-E234 HydrophobicContact CG1-CB 4.27Å; V179-E234 WeakPolarHBondContact CG1-O 3.28Å; L180-E234 WeakPolarHBondContact CB-O 3.41Å; L180-E234 WeakPolarHBondContact CG-O 3.26Å; L180-E234 PolarHBondContact N-O 2.94Å; D231-E234 HydrophobicContact CB-CB 4.44Å; D231-E234 HydrophobicContact CB-CG 4.23Å; D231-E234 WeakPolarHBondContact O-CA 3.48Å; D231-E234 VanDerWaalsContact O-CB 3.32Å; D231-E234 WeakPolarHBondContact O-CB 3.49Å; D231-E234 PolarHBondContact O-N 3Å; W232-E234 PolarHBondContact O-N 3.38Å
235	K	95.5	Very high	92	Very high	36 Å²	36	46.6 Å²	46.6	16%	0.157	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-81	148.1	178.3	-66.5	-175.5	176.8	-66.9	0	111.6	Q178 W232 W239 L240 L243	Q178-K235 VanDerWaalsContact OE1-NZ 3.11Å; W232-K235 WeakPolarHBondContact O-CB 3.35Å; W232-K235 PolarHBondContact O-N 3.32Å; K235-W239 HydrophobicContact CB-CB 4.39Å; K235-L240 HydrophobicContact CB-CD2 4.06Å; K235-L240 HydrophobicContact CB-CG 4.25Å; K235-L240 HydrophobicContact CD-CD2 4.48Å; K235-L243 HydrophobicContact CD-CD2 4.43Å
236	R	96.2	Very high	92	Very high	64 Å²	64	47.4 Å²	47.4	24%	0.242	23%	0.233	C	C	.	.			trans	-67.5	152.6	172.2	-49.9	166.7	168.1	-119.6	4	110.4	Q178 V179 L180 I238 W239 L240 N289	Q178-R236 PolarHBondContact O-N 2.95Å; V179-R236 PolarHBondContact O-NE 2.98Å; L180-R236 HydrophobicContact CD2-CB 4.3Å; L180-R236 HydrophobicContact CD2-CG 4Å; L180-R236 HydrophobicContact CG-CG 4.36Å; R236-I238 VanDerWaalsContact C-N 3.28Å; R236-I238 PolarHBondContact O-N 2.84Å; R236-I238 VanDerWaalsContact O-N 3.14Å; R236-W239 PolarHBondContact O-N 2.98Å; R236-L240 PolarHBondContact O-N 3.39Å; R236-N289 WeakPolarHBondContact CD-OD1 3.49Å
237	P	96.6	Very high	92	Very high	10 Å²	10	42.8 Å²	42.8	7%	0.065	21%	0.212	C	C	.	.	H	α-helix	trans	-52.6	-38.2	-176.5	-31.9	38.1	0	0	0	115.3	L189 L190 W239 L240 L241 V293 V296 L300	L189-P237 HydrophobicContact CB-CG 4.23Å; L189-P237 HydrophobicContact CD1-CG 4.05Å; L190-P237 HydrophobicContact CD2-CB 4.17Å; L190-P237 HydrophobicContact CD2-CG 4.01Å; L190-P237 HydrophobicContact CG-CG 4.33Å; P237-W239 VanDerWaalsContact C-N 3.31Å; P237-W239 PolarHBondContact O-N 3.35Å; P237-L240 WeakPolarHBondContact O-CB 3.21Å; P237-L240 PolarHBondContact O-N 3.24Å; P237-L240 VanDerWaalsContact O-N 3.15Å; P237-L241 PolarHBondContact O-N 3.31Å; P237-V293 HydrophobicContact CG-CG2 4.49Å; P237-V296 VanDerWaalsContact C-CG1 3.44Å; P237-V296 HydrophobicContact CB-CB 4.31Å; P237-V296 HydrophobicContact CB-CG1 3.6Å; P237-L300 HydrophobicContact CB-CD1 4.07Å
238	I	96.3	Very high	91.8	Very high	12 Å²	12	41 Å²	41	6%	0.062	20%	0.201	C	C	.	.	H	α-helix	trans	-65.7	-37.3	-179.2	-174.4	59.5	0	0	0	111.7	R236 L240 L241 L242 L288 I291 V296	R236-I238 VanDerWaalsContact C-N 3.28Å; R236-I238 PolarHBondContact O-N 2.84Å; R236-I238 VanDerWaalsContact O-N 3.14Å; I238-L240 VanDerWaalsContact C-N 3.28Å; I238-L240 PolarHBondContact O-N 2.75Å; I238-L241 HydrophobicContact CD1-CD2 4.09Å; I238-L241 WeakPolarHBondContact O-CB 3.14Å; I238-L241 PolarHBondContact O-N 2.89Å; I238-L241 VanDerWaalsContact O-N 3.16Å; I238-L242 WeakPolarHBondContact O-CG 3.37Å; I238-L242 PolarHBondContact O-N 3.26Å; I238-L288 HydrophobicContact CG1-CB 4.11Å; I238-L288 HydrophobicContact CG1-CD2 4.11Å; I238-L288 HydrophobicContact CG2-CB 4.21Å; I238-I291 HydrophobicContact CD1-CD1 3.58Å; I238-I291 HydrophobicContact CG1-CD1 3.82Å; I238-V296 HydrophobicContact CB-CG1 4.28Å; I238-V296 HydrophobicContact CB-CG2 4.37Å; I238-V296 HydrophobicContact CD1-CG1 4.46Å; I238-V296 HydrophobicContact CD1-CG2 4.34Å
239	W	95.9	Very high	91.8	Very high	29 Å²	29	46.8 Å²	46.8	11%	0.11	22%	0.22	C	C	.	.	H	α-helix	trans	-72.1	-25.8	177	-59.4	112.4	0	0	0	112	Q178 K235 R236 P237 L242 L243 C285 L288 N289	Q178-W239 VanDerWaalsContact CA-CD1 3.47Å; Q178-W239 HydrophobicContact CB-CB 4.46Å; Q178-W239 HydrophobicContact CB-CD2 4.1Å; Q178-W239 HydrophobicContact CB-CG 3.93Å; Q178-W239 HydrophobicContact CG-CD2 3.57Å; Q178-W239 HydrophobicContact CG-CE3 3.76Å; Q178-W239 HydrophobicContact CG-CG 3.94Å; Q178-W239 HydrophobicContact CG-CH2 4.19Å; Q178-W239 HydrophobicContact CG-CZ2 4.03Å; Q178-W239 HydrophobicContact CG-CZ3 4.07Å; Q178-W239 VanDerWaalsContact O-CD1 3.3Å; K235-W239 HydrophobicContact CB-CB 4.39Å; R236-W239 PolarHBondContact O-N 2.98Å; P237-W239 VanDerWaalsContact C-N 3.31Å; P237-W239 PolarHBondContact O-N 3.35Å; W239-L242 HydrophobicContact CE3-CD1 3.67Å; W239-L242 HydrophobicContact CZ3-CD1 3.82Å; W239-L243 WeakPolarHBondContact O-CB 3.39Å; W239-L243 PolarHBondContact O-N 3.42Å; W239-C285 HydrophobicContact CZ2-CB 4.32Å; W239-L288 HydrophobicContact CH2-CD1 3.49Å; W239-L288 VanDerWaalsContact CH2-CD1 3.49Å; W239-L288 HydrophobicContact CZ2-CB 4.32Å; W239-L288 HydrophobicContact CZ2-CD1 3.87Å; W239-L288 HydrophobicContact CZ3-CD1 3.93Å; W239-N289 PolarHBondContact NE1-OD1 2.76Å
240	L	95.8	Very high	91.4	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-68.6	-39.7	168.5	-66.2	177.1	0	0	0	111.9	I186 L190 W232 K235 R236 P237 I238 L243 L244 L300	I186-L240 HydrophobicContact CD1-CD1 3.46Å; I186-L240 VanDerWaalsContact CD1-CD1 3.46Å; L190-L240 HydrophobicContact CD1-CD1 4.46Å; W232-L240 HydrophobicContact CB-CD2 3.98Å; W232-L240 HydrophobicContact CE3-CD1 4.03Å; W232-L240 HydrophobicContact CE3-CD2 3.85Å; W232-L240 HydrophobicContact CZ3-CD1 4.26Å; W232-L240 WeakPolarHBondContact O-CD2 3.42Å; K235-L240 HydrophobicContact CB-CD2 4.06Å; K235-L240 HydrophobicContact CB-CG 4.25Å; K235-L240 HydrophobicContact CD-CD2 4.48Å; R236-L240 PolarHBondContact O-N 3.39Å; P237-L240 WeakPolarHBondContact O-CB 3.21Å; P237-L240 PolarHBondContact O-N 3.24Å; P237-L240 VanDerWaalsContact O-N 3.15Å; I238-L240 VanDerWaalsContact C-N 3.28Å; I238-L240 PolarHBondContact O-N 2.75Å; L240-L243 HydrophobicContact CD2-CD2 4.28Å; L240-L243 PolarHBondContact O-N 3.39Å; L240-L244 VanDerWaalsContact O-CG 3.29Å; L240-L244 WeakPolarHBondContact O-CG 3.23Å; L240-L244 PolarHBondContact O-N 3.37Å; L240-L300 HydrophobicContact CB-CD2 4.13Å
241	L	94.7	Very high	91.4	Very high	20 Å²	20	45.4 Å²	45.4	11%	0.105	22%	0.218	C	C	.	.	H	α-helix	trans	-61.8	-47.9	176.1	178.2	63.3	0	0	0	110.8	P237 I238 L244 N245 A299 L300 T303	P237-L241 PolarHBondContact O-N 3.31Å; I238-L241 HydrophobicContact CD1-CD2 4.09Å; I238-L241 WeakPolarHBondContact O-CB 3.14Å; I238-L241 PolarHBondContact O-N 2.89Å; I238-L241 VanDerWaalsContact O-N 3.16Å; L241-L244 PolarHBondContact O-N 3.42Å; L241-N245 PolarHBondContact O-N 3.3Å; L241-N245 PolarHBondContact O-ND2 2.97Å; L241-A299 HydrophobicContact CD1-CB 4.35Å; L241-A299 HydrophobicContact CD2-CB 3.76Å; L241-L300 HydrophobicContact CB-CD2 3.83Å; L241-L300 HydrophobicContact CB-CG 4.19Å; L241-L300 HydrophobicContact CD1-CD2 4.24Å; L241-T303 HydrophobicContact CD1-CG2 4.12Å; L241-T303 WeakPolarHBondContact CD1-OG1 3.3Å
242	L	92.8	Very high	91.3	Very high	80 Å²	80	42 Å²	42	42%	0.419	20%	0.2	S	C	.	.	H	α-helix	trans	-63.4	-42.7	175.8	-64.4	176.4	0	0	0	111.7	I238 W239 L244 N245 S246 L288	I238-L242 WeakPolarHBondContact O-CG 3.37Å; I238-L242 PolarHBondContact O-N 3.26Å; W239-L242 HydrophobicContact CE3-CD1 3.67Å; W239-L242 HydrophobicContact CZ3-CD1 3.82Å; L242-L244 PolarHBondContact O-N 3.15Å; L242-N245 PolarHBondContact O-N 2.91Å; L242-S246 PolarHBondContact O-N 2.84Å; L242-S246 VanDerWaalsContact O-N 3.09Å; L242-L288 HydrophobicContact CD1-CD1 4.07Å
243	L	92.9	Very high	90.8	Very high	17 Å²	17	48.5 Å²	48.5	9%	0.089	23%	0.229	C	C	.	.	H	α-helix	trans	-57.3	-52.3	176.9	175.5	63	0	0	0	111.1	W232 K235 W239 L240 N245 S246 L247	W232-L243 HydrophobicContact CB-CD2 4.44Å; K235-L243 HydrophobicContact CD-CD2 4.43Å; W239-L243 WeakPolarHBondContact O-CB 3.39Å; W239-L243 PolarHBondContact O-N 3.42Å; L240-L243 HydrophobicContact CD2-CD2 4.28Å; L240-L243 PolarHBondContact O-N 3.39Å; L243-N245 VanDerWaalsContact C-N 3.31Å; L243-N245 PolarHBondContact O-N 3.45Å; L243-S246 CarbonylContact O-C 3.57Å; L243-S246 WeakPolarHBondContact O-CA 3.32Å; L243-S246 WeakPolarHBondContact O-CB 3.38Å; L243-S246 PolarHBondContact O-N 3.05Å; L243-S246 PolarHBondContact O-OG 3.37Å; L243-L247 HydrophobicContact CD1-CD1 3.92Å; L243-L247 HydrophobicContact CD1-CD2 4.33Å; L243-L247 HydrophobicContact CD1-CG 4.11Å; L243-L247 HydrophobicContact CG-CD1 3.84Å; L243-L247 HydrophobicContact CG-CG 4.42Å; L243-L247 VanDerWaalsContact O-CG 3.31Å; L243-L247 WeakPolarHBondContact O-CG 3.23Å; L243-L247 PolarHBondContact O-N 2.84Å
244	L	92	Very high	90.4	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-58.4	-42.1	-178.2	-72.3	175.4	0	0	0	112.6	L198 Y201 I202 L240 L241 L242 S246 L247 L300 T303 L307	L198-L244 HydrophobicContact CD2-CD1 3.68Å; Y201-L244 HydrophobicContact CD1-CD2 3.83Å; Y201-L244 HydrophobicContact CE1-CD2 3.86Å; I202-L244 HydrophobicContact CG1-CD2 4.44Å; L240-L244 VanDerWaalsContact O-CG 3.29Å; L240-L244 WeakPolarHBondContact O-CG 3.23Å; L240-L244 PolarHBondContact O-N 3.37Å; L241-L244 PolarHBondContact O-N 3.42Å; L242-L244 PolarHBondContact O-N 3.15Å; L244-S246 PolarHBondContact O-N 2.86Å; L244-L247 PolarHBondContact O-N 2.98Å; L244-L300 HydrophobicContact CD1-CD2 3.87Å; L244-T303 HydrophobicContact CB-CG2 4.36Å; L244-L307 HydrophobicContact CB-CD1 3.94Å
245	N	88.1	Confident	89.9	Confident	86 Å²	86	42.5 Å²	42.5	46%	0.46	20%	0.2	S	C	.	.	H	α-helix	trans	-69.1	-20	176.8	-74.7	-73.9	0	0	0	113	L241 L242 L243	L241-N245 PolarHBondContact O-N 3.3Å; L241-N245 PolarHBondContact O-ND2 2.97Å; L242-N245 PolarHBondContact O-N 2.91Å; L243-N245 VanDerWaalsContact C-N 3.31Å; L243-N245 PolarHBondContact O-N 3.45Å
246	S	87	Confident	89.3	Confident	31 Å²	31	42.9 Å²	42.9	22%	0.217	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-5.7	174.8	83.6	0	0	0	0	114.2	L242 L243 L244 T248 E251 R255	L242-S246 PolarHBondContact O-N 2.84Å; L242-S246 VanDerWaalsContact O-N 3.09Å; L243-S246 CarbonylContact O-C 3.57Å; L243-S246 WeakPolarHBondContact O-CA 3.32Å; L243-S246 WeakPolarHBondContact O-CB 3.38Å; L243-S246 PolarHBondContact O-N 3.05Å; L243-S246 PolarHBondContact O-OG 3.37Å; L244-S246 PolarHBondContact O-N 2.86Å; S246-T248 VanDerWaalsContact C-N 3.34Å; S246-T248 PolarHBondContact O-N 3.41Å; S246-E251 WeakPolarHBondContact O-CB 3.47Å; S246-R255 PolarHBondContact O-NH2 3.07Å; S246-R255 PolarHBondContact OG-NH2 3.4Å
247	L	87.2	Confident	88.9	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.217	C	C	.	.			trans	-97.7	47.7	-176.9	-67.2	172	0	0	0	111.8	L205 W212 L228 T229 L243 L244 I252	L205-L247 HydrophobicContact CD1-CB 4.05Å; L205-L247 HydrophobicContact CD1-CD1 3.52Å; L205-L247 HydrophobicContact CD1-CG 4.29Å; W212-L247 WeakPolarHBondContact CH2-O 3.37Å; L228-L247 HydrophobicContact CB-CD2 4.19Å; L228-L247 HydrophobicContact CD1-CD2 3.91Å; T229-L247 HydrophobicContact CG2-CD1 4.22Å; L243-L247 HydrophobicContact CD1-CD1 3.92Å; L243-L247 HydrophobicContact CD1-CD2 4.33Å; L243-L247 HydrophobicContact CD1-CG 4.11Å; L243-L247 HydrophobicContact CG-CD1 3.84Å; L243-L247 HydrophobicContact CG-CG 4.42Å; L243-L247 VanDerWaalsContact O-CG 3.31Å; L243-L247 WeakPolarHBondContact O-CG 3.23Å; L243-L247 PolarHBondContact O-N 2.84Å; L244-L247 PolarHBondContact O-N 2.98Å; L247-I252 HydrophobicContact CD2-CD1 4.03Å
248	T	82.7	Confident	88.7	Confident	40 Å²	40	42.8 Å²	42.8	25%	0.245	22%	0.221	C	C	.	.	S	Bend	trans	-99.6	165.4	176.7	72.1	0	0	0	0	111.4	S246 S250 E251 I252	S246-T248 VanDerWaalsContact C-N 3.34Å; S246-T248 PolarHBondContact O-N 3.41Å; T248-S250 PolarHBondContact O-N 3.47Å; T248-E251 PolarHBondContact O-N 2.84Å; T248-E251 WeakPolarHBondContact OG1-CB 3.03Å; T248-E251 VanDerWaalsContact OG1-CG 3.25Å; T248-E251 WeakPolarHBondContact OG1-CG 3.49Å; T248-E251 PolarHBondContact OG1-N 3.22Å; T248-I252 WeakPolarHBondContact O-CB 3.48Å; T248-I252 WeakPolarHBondContact O-CG1 3.39Å; T248-I252 PolarHBondContact O-N 2.88Å
249	R	84.9	Confident	88.6	Confident	153 Å²	153	43.8 Å²	43.8	58%	0.577	23%	0.228	S	C	*	.	H	α-helix	trans	-57.8	-46.9	179.6	-175.2	175.3	-172.7	150.9	5.4	112.8	W212 I252 F253	W212-R249 HydrophobicContact CB-CG 4.17Å; W212-R249 HydrophobicContact CD2-CB 3.86Å; W212-R249 HydrophobicContact CD2-CG 3.98Å; W212-R249 HydrophobicContact CE3-CB 4.27Å; W212-R249 HydrophobicContact CG-CB 4.19Å; W212-R249 HydrophobicContact CG-CG 3.77Å; W212-R249 HydrophobicContact CZ2-CB 4.13Å; R249-I252 PolarHBondContact O-N 3.43Å; R249-F253 WeakPolarHBondContact O-CB 3.4Å; R249-F253 PolarHBondContact O-N 3.14Å
250	S	82.2	Confident	88.7	Confident	31 Å²	31	42.4 Å²	42.4	22%	0.217	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-50.4	179.6	-169	0	0	0	0	110.8	T248 I252 F253 D254	T248-S250 PolarHBondContact O-N 3.47Å; S250-I252 VanDerWaalsContact C-N 3.28Å; S250-I252 PolarHBondContact O-N 2.81Å; S250-F253 WeakPolarHBondContact O-CB 3.24Å; S250-F253 PolarHBondContact O-N 2.93Å; S250-D254 PolarHBondContact O-N 3.4Å
251	E	84.7	Confident	88.7	Confident	44 Å²	44	43.3 Å²	43.3	21%	0.206	23%	0.227	C	C	.	.	H	α-helix	trans	-60.6	-36.9	179.6	-70.8	-68.3	156.2	0	0	112.6	S246 T248 D254 R255	S246-E251 WeakPolarHBondContact O-CB 3.47Å; T248-E251 PolarHBondContact O-N 2.84Å; T248-E251 WeakPolarHBondContact OG1-CB 3.03Å; T248-E251 VanDerWaalsContact OG1-CG 3.25Å; T248-E251 WeakPolarHBondContact OG1-CG 3.49Å; T248-E251 PolarHBondContact OG1-N 3.22Å; E251-D254 PolarHBondContact O-N 2.85Å; E251-R255 WeakPolarHBondContact O-CD 3.33Å; E251-R255 VanDerWaalsContact O-CG 3.24Å; E251-R255 WeakPolarHBondContact O-CG 3.33Å; E251-R255 PolarHBondContact O-N 2.81Å; E251-R255 PolarHBondContact O-NE 3.13Å
252	I	86.4	Confident	88.8	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-67.8	-40	175.7	-71.7	-62.5	0	0	0	111.5	I209 W212 I213 L224 L228 L247 T248 R249 S250 D254 R255	I209-I252 HydrophobicContact CD1-CD1 4.09Å; I209-I252 HydrophobicContact CG1-CD1 4.38Å; I209-I252 HydrophobicContact CG1-CG1 4.34Å; I209-I252 HydrophobicContact CG2-CG2 4.14Å; W212-I252 HydrophobicContact CE3-CB 4.05Å; W212-I252 HydrophobicContact CE3-CG1 4Å; W212-I252 HydrophobicContact CE3-CG2 4.22Å; W212-I252 HydrophobicContact CZ3-CB 4.34Å; W212-I252 HydrophobicContact CZ3-CG1 3.82Å; I213-I252 HydrophobicContact CD1-CG2 4.04Å; I213-I252 HydrophobicContact CG1-CG2 4.38Å; L224-I252 HydrophobicContact CD1-CG2 4.3Å; L228-I252 HydrophobicContact CD1-CD1 3.55Å; L247-I252 HydrophobicContact CD2-CD1 4.03Å; T248-I252 WeakPolarHBondContact O-CB 3.48Å; T248-I252 WeakPolarHBondContact O-CG1 3.39Å; T248-I252 PolarHBondContact O-N 2.88Å; R249-I252 PolarHBondContact O-N 3.43Å; S250-I252 VanDerWaalsContact C-N 3.28Å; S250-I252 PolarHBondContact O-N 2.81Å; I252-D254 VanDerWaalsContact C-N 3.27Å; I252-D254 PolarHBondContact O-N 3.37Å; I252-R255 PolarHBondContact O-N 3.42Å
253	F	84.9	Confident	89	Confident	154 Å²	154	40.7 Å²	40.7	68%	0.675	21%	0.213	S	C	*	.	H	α-helix	trans	-63	-36.7	177.6	-174.4	-93.8	0	0	0	111.9	R249 S250 R255	R249-F253 WeakPolarHBondContact O-CB 3.4Å; R249-F253 PolarHBondContact O-N 3.14Å; S250-F253 WeakPolarHBondContact O-CB 3.24Å; S250-F253 PolarHBondContact O-N 2.93Å; F253-R255 VanDerWaalsContact C-N 3.26Å; F253-R255 PolarHBondContact O-N 2.85Å
254	D	86.9	Confident	89.2	Confident	15 Å²	15	40.1 Å²	40.1	8%	0.08	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-3.8	179.5	-66.7	-35.7	0	0	0	114	A137 H140 S250 E251 I252 G256 V257	A137-D254 HydrophobicContact CB-CB 3.9Å; H140-D254 IonicContact CD2-OD2 3.32Å; H140-D254 IonicContact CE1-OD1 2.75Å; H140-D254 IonicContact CE1-OD2 3.71Å; H140-D254 IonicContact NE2-OD1 3.32Å; H140-D254 PolarHBondContact NE2-OD1 2.97Å; H140-D254 VanDerWaalsContact NE2-OD1 3.08Å; H140-D254 IonicContact NE2-OD2 2.89Å; H140-D254 PolarHBondContact NE2-OD2 3.46Å; S250-D254 PolarHBondContact O-N 3.4Å; E251-D254 PolarHBondContact O-N 2.85Å; I252-D254 VanDerWaalsContact C-N 3.27Å; I252-D254 PolarHBondContact O-N 3.37Å; D254-G256 PolarHBondContact O-N 3.3Å; D254-V257 VanDerWaalsContact O-CB 3.24Å; D254-V257 WeakPolarHBondContact O-CB 3.47Å; D254-V257 WeakPolarHBondContact O-CG2 3.46Å; D254-V257 PolarHBondContact O-N 3.01Å
255	R	85.2	Confident	89.5	Confident	64 Å²	64	40.1 Å²	40.1	24%	0.242	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	127.6	-179.2	-60.9	-42.4	178.3	107.7	2.9	112	L224 S246 E251 I252 F253	L224-R255 HydrophobicContact CD1-CB 4.24Å; L224-R255 HydrophobicContact CD2-CB 3.7Å; L224-R255 HydrophobicContact CD2-CG 4.31Å; S246-R255 PolarHBondContact O-NH2 3.07Å; S246-R255 PolarHBondContact OG-NH2 3.4Å; E251-R255 WeakPolarHBondContact O-CD 3.33Å; E251-R255 VanDerWaalsContact O-CG 3.24Å; E251-R255 WeakPolarHBondContact O-CG 3.33Å; E251-R255 PolarHBondContact O-N 2.81Å; E251-R255 PolarHBondContact O-NE 3.13Å; I252-R255 PolarHBondContact O-N 3.42Å; F253-R255 VanDerWaalsContact C-N 3.26Å; F253-R255 PolarHBondContact O-N 2.85Å
256	G	82	Confident	89.8	Confident	44 Å²	44	39.3 Å²	39.3	45%	0.454	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.5	-14.7	-171.9	0	0	0	0	0	112.9	D254 F578	D254-G256 PolarHBondContact O-N 3.3Å; G256-F578 VanDerWaalsContact O-CE2 3.26Å; G256-F578 WeakPolarHBondContact O-CE2 3.29Å
257	V	87.3	Confident	90.3	Very high	50 Å²	50	38.2 Å²	38.2	30%	0.303	20%	0.195	S	C	.	.	S	Bend	trans	-85	128.2	167.5	-171	0	0	0	0	108.2	A137 Y138 T139 D254	A137-V257 HydrophobicContact CB-CB 4.08Å; A137-V257 HydrophobicContact CB-CG1 3.82Å; Y138-V257 HydrophobicContact CD1-CG1 3.75Å; Y138-V257 HydrophobicContact CE1-CG1 3.62Å; T139-V257 HydrophobicContact CG2-CG1 4.03Å; D254-V257 VanDerWaalsContact O-CB 3.24Å; D254-V257 WeakPolarHBondContact O-CB 3.47Å; D254-V257 WeakPolarHBondContact O-CG2 3.46Å; D254-V257 PolarHBondContact O-N 3.01Å
258	P	93.2	Very high	90.7	Very high	23 Å²	23	38.1 Å²	38.1	15%	0.149	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-64.1	140.7	175.7	25.7	-32.7	0	0	0	110.4	Y138 L262 F263	Y138-P258 HydrophobicContact CD1-CG 3.82Å; Y138-P258 WeakPolarHBondContact CD1-O 3.38Å; Y138-P258 HydrophobicContact CE1-CG 3.83Å; Y138-P258 PolarHBondContact N-O 2.93Å; Y138-P258 VanDerWaalsContact N-O 3.09Å; P258-L262 HydrophobicContact CB-CB 4.29Å; P258-L262 HydrophobicContact CB-CD2 4.05Å; P258-L262 HydrophobicContact CB-CG 4.09Å; P258-F263 HydrophobicContact CB-CB 4.22Å; P258-F263 HydrophobicContact CG-CB 4.15Å; P258-F263 HydrophobicContact CG-CD2 4.43Å
259	V	94.8	Very high	91.3	Very high	33 Å²	33	39.6 Å²	39.6	20%	0.2	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-63.8	157.3	165.1	-64.1	0	0	0	0	110.3	V136 D261 L262 F263	V136-V259 CarbonylContact O-C 3.48Å; V136-V259 WeakPolarHBondContact O-CA 3.28Å; V259-D261 VanDerWaalsContact C-N 3.25Å; V259-D261 PolarHBondContact O-N 3.18Å; V259-L262 HydrophobicContact CG2-CB 3.81Å; V259-L262 PolarHBondContact O-N 2.86Å; V259-L262 VanDerWaalsContact O-N 3.1Å; V259-F263 WeakPolarHBondContact O-CB 3.11Å; V259-F263 PolarHBondContact O-N 3.17Å
260	L	97.2	Very high	91.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-52	-42.6	-176	-179.4	63.1	0	0	0	112.9	F131 T133 V136 V141 W142 I145 F263 L264	F131-L260 HydrophobicContact CE1-CD2 4.26Å; T133-L260 HydrophobicContact CG2-CD2 4.24Å; V136-L260 PolarHBondContact O-N 3.4Å; V141-L260 HydrophobicContact CG2-CB 4.43Å; V141-L260 HydrophobicContact CG2-CD1 4.36Å; V141-L260 HydrophobicContact CG2-CD2 4.01Å; V141-L260 HydrophobicContact CG2-CG 4.5Å; W142-L260 HydrophobicContact CE3-CD1 4.08Å; W142-L260 HydrophobicContact CZ3-CD1 4.46Å; I145-L260 HydrophobicContact CD1-CD1 3.75Å; I145-L260 HydrophobicContact CD1-CD2 3.78Å; I145-L260 HydrophobicContact CD1-CG 4.44Å; L260-F263 HydrophobicContact CD1-CD1 4.42Å; L260-F263 PolarHBondContact O-N 3.45Å; L260-L264 HydrophobicContact CD1-CD1 4.25Å; L260-L264 HydrophobicContact CD1-CG 4.17Å; L260-L264 HydrophobicContact CG-CD1 4.16Å; L260-L264 HydrophobicContact CG-CG 4.47Å; L260-L264 WeakPolarHBondContact O-CB 3.37Å; L260-L264 WeakPolarHBondContact O-CG 3.43Å; L260-L264 PolarHBondContact O-N 3.07Å
261	D	95.7	Very high	92.4	Very high	20 Å²	20	39.1 Å²	39.1	11%	0.107	20%	0.196	C	C	.	.	H	α-helix	trans	-60.5	-49.1	179.6	-43	-82.2	0	0	0	111.4	T133 H135 V259 L264 A265	T133-D261 WeakPolarHBondContact CB-OD1 3.42Å; T133-D261 PolarHBondContact OG1-OD1 2.77Å; H135-D261 IonicContact CG-OD2 3.27Å; H135-D261 IonicContact ND1-OD2 2.77Å; H135-D261 PolarHBondContact ND1-OD2 2.83Å; V259-D261 VanDerWaalsContact C-N 3.25Å; V259-D261 PolarHBondContact O-N 3.18Å; D261-L264 PolarHBondContact O-N 2.97Å; D261-A265 WeakPolarHBondContact O-CB 3.24Å; D261-A265 PolarHBondContact O-N 3.1Å
262	L	95.7	Very high	92.9	Very high	40 Å²	40	39.6 Å²	39.6	21%	0.209	21%	0.212	C	C	.	.	H	α-helix	trans	-67.1	-38.4	178.5	177.2	60.7	0	0	0	111.3	L165 T166 P258 V259 A265 Q266	L165-L262 HydrophobicContact CB-CD1 3.87Å; L165-L262 HydrophobicContact CD1-CB 4.47Å; T166-L262 HydrophobicContact CG2-CD1 4.35Å; P258-L262 HydrophobicContact CB-CB 4.29Å; P258-L262 HydrophobicContact CB-CD2 4.05Å; P258-L262 HydrophobicContact CB-CG 4.09Å; V259-L262 HydrophobicContact CG2-CB 3.81Å; V259-L262 PolarHBondContact O-N 2.86Å; V259-L262 VanDerWaalsContact O-N 3.1Å; L262-A265 PolarHBondContact O-N 3.08Å; L262-Q266 HydrophobicContact CD1-CG 4.2Å; L262-Q266 HydrophobicContact CG-CG 4.43Å; L262-Q266 WeakPolarHBondContact O-CB 3.43Å; L262-Q266 VanDerWaalsContact O-CG 3.22Å; L262-Q266 WeakPolarHBondContact O-CG 3.31Å; L262-Q266 PolarHBondContact O-N 3.02Å
263	F	97.6	Very high	93.4	Very high	5 Å²	5	41.2 Å²	41.2	2%	0.022	22%	0.219	C	C	.	.	H	α-helix	trans	-60.8	-48.6	175.8	171	-102.7	0	0	0	111	Y138 W142 P258 V259 L260 A265 Q266 E267	Y138-F263 HydrophobicContact CD1-CB 4.22Å; Y138-F263 HydrophobicContact CD1-CD2 4.15Å; Y138-F263 HydrophobicContact CD1-CG 4.18Å; Y138-F263 AromaticContact CD2-CD1 3.91Å; Y138-F263 HydrophobicContact CD2-CD1 3.91Å; Y138-F263 AromaticContact CD2-CD2 3.9Å; Y138-F263 HydrophobicContact CD2-CD2 3.9Å; Y138-F263 AromaticContact CD2-CE1 3.98Å; Y138-F263 HydrophobicContact CD2-CE1 3.98Å; Y138-F263 AromaticContact CD2-CE2 3.97Å; Y138-F263 HydrophobicContact CD2-CE2 3.97Å; Y138-F263 AromaticContact CD2-CG 3.86Å; Y138-F263 HydrophobicContact CD2-CG 3.86Å; Y138-F263 HydrophobicContact CD2-CZ 4.01Å; Y138-F263 HydrophobicContact CE1-CD2 4.23Å; Y138-F263 HydrophobicContact CE2-CD2 4Å; Y138-F263 HydrophobicContact CE2-CE1 4.47Å; Y138-F263 AromaticContact CE2-CE2 3.79Å; Y138-F263 HydrophobicContact CE2-CE2 3.79Å; Y138-F263 HydrophobicContact CE2-CG 4.44Å; Y138-F263 HydrophobicContact CE2-CZ 4.04Å; Y138-F263 HydrophobicContact CG-CB 4Å; Y138-F263 HydrophobicContact CG-CD1 4.06Å; Y138-F263 AromaticContact CG-CD2 3.98Å; Y138-F263 HydrophobicContact CG-CD2 3.98Å; Y138-F263 AromaticContact CG-CG 3.73Å; Y138-F263 HydrophobicContact CG-CG 3.73Å; W142-F263 AromaticContact CD2-CE1 3.91Å; W142-F263 HydrophobicContact CD2-CE1 3.91Å; W142-F263 HydrophobicContact CE3-CD1 4.25Å; W142-F263 AromaticContact CE3-CE1 3.75Å; W142-F263 HydrophobicContact CE3-CE1 3.75Å; W142-F263 AromaticContact CH2-CE1 3.95Å; W142-F263 HydrophobicContact CH2-CE1 3.95Å; W142-F263 HydrophobicContact CZ2-CE1 4.09Å; W142-F263 HydrophobicContact CZ3-CD1 4.36Å; W142-F263 AromaticContact CZ3-CE1 3.77Å; W142-F263 HydrophobicContact CZ3-CE1 3.77Å; P258-F263 HydrophobicContact CB-CB 4.22Å; P258-F263 HydrophobicContact CG-CB 4.15Å; P258-F263 HydrophobicContact CG-CD2 4.43Å; V259-F263 WeakPolarHBondContact O-CB 3.11Å; V259-F263 PolarHBondContact O-N 3.17Å; L260-F263 HydrophobicContact CD1-CD1 4.42Å; L260-F263 PolarHBondContact O-N 3.45Å; F263-A265 VanDerWaalsContact C-N 3.32Å; F263-A265 PolarHBondContact O-N 2.92Å; F263-Q266 PolarHBondContact O-N 3.43Å; F263-E267 WeakPolarHBondContact O-CB 3.44Å; F263-E267 PolarHBondContact O-N 3.47Å
264	L	98.2	Very high	93.9	Very high	5 Å²	5	39 Å²	39	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-38.9	176.5	-71.8	176	0	0	0	111.9	F131 T133 W142 F153 F161 L260 D261 E267 A268 A529	F131-L264 HydrophobicContact CD1-CD1 4.22Å; F131-L264 HydrophobicContact CE1-CD1 4.08Å; T133-L264 HydrophobicContact CG2-CD1 4.05Å; W142-L264 HydrophobicContact CH2-CD2 4.46Å; W142-L264 HydrophobicContact CZ3-CD2 4Å; F153-L264 HydrophobicContact CD2-CD2 4.15Å; F153-L264 HydrophobicContact CE2-CB 4.19Å; F153-L264 HydrophobicContact CE2-CD2 3.98Å; F153-L264 HydrophobicContact CZ-CD2 4.32Å; F153-L264 WeakPolarHBondContact CZ-O 3.38Å; F161-L264 HydrophobicContact CE1-CB 3.63Å; F161-L264 HydrophobicContact CZ-CB 3.97Å; L260-L264 HydrophobicContact CD1-CD1 4.25Å; L260-L264 HydrophobicContact CD1-CG 4.17Å; L260-L264 HydrophobicContact CG-CD1 4.16Å; L260-L264 HydrophobicContact CG-CG 4.47Å; L260-L264 WeakPolarHBondContact O-CB 3.37Å; L260-L264 WeakPolarHBondContact O-CG 3.43Å; L260-L264 PolarHBondContact O-N 3.07Å; D261-L264 PolarHBondContact O-N 2.97Å; L264-E267 PolarHBondContact O-N 3.19Å; L264-A268 WeakPolarHBondContact O-CB 3.28Å; L264-A268 PolarHBondContact O-N 3.05Å; L264-A529 HydrophobicContact CD1-CB 4.15Å
265	A	97.2	Very high	94.4	Very high	2 Å²	2	40.9 Å²	40.9	2%	0.017	22%	0.22	C	C	.	.	H	α-helix	trans	-65.2	-43.6	176.2	0	0	0	0	0	112.1	F161 T166 D261 L262 F263 E267 A268 Q269	F161-A265 HydrophobicContact CD2-CB 3.95Å; F161-A265 HydrophobicContact CE1-CB 4.17Å; F161-A265 VanDerWaalsContact CE2-CA 3.48Å; F161-A265 HydrophobicContact CE2-CB 3.52Å; F161-A265 HydrophobicContact CG-CB 4.45Å; F161-A265 HydrophobicContact CZ-CB 3.66Å; T166-A265 HydrophobicContact CG2-CB 3.66Å; D261-A265 WeakPolarHBondContact O-CB 3.24Å; D261-A265 PolarHBondContact O-N 3.1Å; L262-A265 PolarHBondContact O-N 3.08Å; F263-A265 VanDerWaalsContact C-N 3.32Å; F263-A265 PolarHBondContact O-N 2.92Å; A265-E267 VanDerWaalsContact C-N 3.26Å; A265-E267 PolarHBondContact O-N 2.98Å; A265-A268 PolarHBondContact O-N 3.42Å; A265-Q269 WeakPolarHBondContact O-CB 3.4Å; A265-Q269 PolarHBondContact O-N 2.92Å
266	Q	95.9	Very high	95	Very high	68 Å²	68	38.5 Å²	38.5	32%	0.318	22%	0.215	S	C	.	.	H	α-helix	trans	-60.6	-37.3	172.8	-73.4	173.2	-1.4	0	0	111.7	T166 L262 F263 Q269 R270	T166-Q266 HydrophobicContact CG2-CG 4.48Å; L262-Q266 HydrophobicContact CD1-CG 4.2Å; L262-Q266 HydrophobicContact CG-CG 4.43Å; L262-Q266 WeakPolarHBondContact O-CB 3.43Å; L262-Q266 VanDerWaalsContact O-CG 3.22Å; L262-Q266 WeakPolarHBondContact O-CG 3.31Å; L262-Q266 PolarHBondContact O-N 3.02Å; F263-Q266 PolarHBondContact O-N 3.43Å; Q266-Q269 PolarHBondContact O-N 2.68Å; Q266-R270 WeakPolarHBondContact O-CB 3.44Å; Q266-R270 PolarHBondContact O-N 3.32Å
267	E	96.1	Very high	95.7	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.037	20%	0.204	C	C	.	.	H	α-helix	trans	-72.7	-40.3	179.4	-165.9	65.9	175.5	0	0	112.3	F153 F263 L264 A265 Q269 R270 L271 I571 S572	F153-E267 HydrophobicContact CE1-CB 4.26Å; F153-E267 HydrophobicContact CE1-CG 4.01Å; F153-E267 HydrophobicContact CZ-CB 4.24Å; F153-E267 HydrophobicContact CZ-CG 4.49Å; F263-E267 WeakPolarHBondContact O-CB 3.44Å; F263-E267 PolarHBondContact O-N 3.47Å; L264-E267 PolarHBondContact O-N 3.19Å; A265-E267 VanDerWaalsContact C-N 3.26Å; A265-E267 PolarHBondContact O-N 2.98Å; E267-Q269 VanDerWaalsContact C-N 3.31Å; E267-Q269 PolarHBondContact O-N 3.42Å; E267-R270 VanDerWaalsContact CD-NE 3.26Å; E267-R270 PolarHBondContact O-N 2.88Å; E267-R270 IonicContact OE1-CZ 3.29Å; E267-R270 VanDerWaalsContact OE1-CZ 3.29Å; E267-R270 IonicContact OE1-NE 3.14Å; E267-R270 PolarHBondContact OE1-NE 2.84Å; E267-R270 VanDerWaalsContact OE1-NE 3.14Å; E267-R270 IonicContact OE1-NH2 2.63Å; E267-R270 PolarHBondContact OE1-NH2 2.77Å; E267-R270 WeakPolarHBondContact OE2-CD 3.16Å; E267-R270 IonicContact OE2-CZ 3.72Å; E267-R270 IonicContact OE2-NE 2.77Å; E267-R270 PolarHBondContact OE2-NE 2.98Å; E267-R270 IonicContact OE2-NH2 3.8Å; E267-L271 HydrophobicContact CG-CD1 4.2Å; E267-L271 WeakPolarHBondContact O-CB 3.38Å; E267-L271 VanDerWaalsContact O-CG 3.27Å; E267-L271 WeakPolarHBondContact O-CG 3.06Å; E267-L271 PolarHBondContact O-N 2.83Å; E267-I571 HydrophobicContact CG-CG2 4.17Å; E267-I571 WeakPolarHBondContact OE1-CG2 3.39Å; E267-S572 PolarHBondContact OE1-N 3.22Å
268	A	97	Very high	96.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.8	-46.6	171.3	0	0	0	0	0	110.6	F153 V159 L264 A265 L271 G272 K273 H275	F153-A268 HydrophobicContact CZ-CB 3.97Å; V159-A268 HydrophobicContact CB-CB 4.06Å; V159-A268 HydrophobicContact CG2-CB 3.93Å; L264-A268 WeakPolarHBondContact O-CB 3.28Å; L264-A268 PolarHBondContact O-N 3.05Å; A265-A268 PolarHBondContact O-N 3.42Å; A268-L271 PolarHBondContact O-N 3.07Å; A268-G272 PolarHBondContact O-N 2.79Å; A268-G272 VanDerWaalsContact O-N 3.13Å; A268-K273 HydrophobicContact CB-CB 4.29Å; A268-K273 WeakPolarHBondContact O-CB 3.47Å; A268-K273 PolarHBondContact O-N 2.9Å; A268-H275 HydrophobicContact CB-CB 4.31Å
269	Q	95.2	Very high	96.5	Very high	71 Å²	71	35 Å²	35	33%	0.332	19%	0.187	S	C	.	.	H	α-helix	trans	-62.5	-43.2	175.7	-173.4	178.5	-0.9	0	0	112.2	A265 Q266 E267 L271 G272	A265-Q269 WeakPolarHBondContact O-CB 3.4Å; A265-Q269 PolarHBondContact O-N 2.92Å; Q266-Q269 PolarHBondContact O-N 2.68Å; E267-Q269 VanDerWaalsContact C-N 3.31Å; E267-Q269 PolarHBondContact O-N 3.42Å; Q269-L271 VanDerWaalsContact C-N 3.32Å; Q269-L271 PolarHBondContact O-N 2.85Å; Q269-G272 PolarHBondContact O-N 2.83Å
270	R	95.3	Very high	96.6	Very high	122 Å²	122	39.7 Å²	39.7	46%	0.46	21%	0.206	S	C	.	.	H	α-helix	trans	-61.4	-40.7	177.7	-171.7	-168.8	70	76.3	-6	111.7	Q266 E267 G272 E570	Q266-R270 WeakPolarHBondContact O-CB 3.44Å; Q266-R270 PolarHBondContact O-N 3.32Å; E267-R270 VanDerWaalsContact CD-NE 3.26Å; E267-R270 PolarHBondContact O-N 2.88Å; E267-R270 IonicContact OE1-CZ 3.29Å; E267-R270 VanDerWaalsContact OE1-CZ 3.29Å; E267-R270 IonicContact OE1-NE 3.14Å; E267-R270 PolarHBondContact OE1-NE 2.84Å; E267-R270 VanDerWaalsContact OE1-NE 3.14Å; E267-R270 IonicContact OE1-NH2 2.63Å; E267-R270 PolarHBondContact OE1-NH2 2.77Å; E267-R270 WeakPolarHBondContact OE2-CD 3.16Å; E267-R270 IonicContact OE2-CZ 3.72Å; E267-R270 IonicContact OE2-NE 2.77Å; E267-R270 PolarHBondContact OE2-NE 2.98Å; E267-R270 IonicContact OE2-NH2 3.8Å; R270-G272 PolarHBondContact O-N 2.79Å; R270-E570 PolarHBondContact NH2-O 3.01Å
271	L	94.9	Very high	96.6	Very high	52 Å²	52	39.9 Å²	39.9	27%	0.272	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-4.6	177.1	-66.8	173.6	0	0	0	112.8	F153 E267 A268 Q269 K273	F153-L271 HydrophobicContact CE1-CD1 4.02Å; E267-L271 HydrophobicContact CG-CD1 4.2Å; E267-L271 WeakPolarHBondContact O-CB 3.38Å; E267-L271 VanDerWaalsContact O-CG 3.27Å; E267-L271 WeakPolarHBondContact O-CG 3.06Å; E267-L271 PolarHBondContact O-N 2.83Å; A268-L271 PolarHBondContact O-N 3.07Å; Q269-L271 VanDerWaalsContact C-N 3.32Å; Q269-L271 PolarHBondContact O-N 2.85Å; L271-K273 VanDerWaalsContact C-N 3.25Å; L271-K273 HydrophobicContact CB-CD 4.44Å; L271-K273 HydrophobicContact CB-CG 4.09Å; L271-K273 PolarHBondContact O-N 3.35Å
272	G	94.8	Very high	96.7	Very high	53 Å²	53	44 Å²	44	55%	0.546	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	69	23.8	-179.1	0	0	0	0	0	113.4	A268 Q269 R270	A268-G272 PolarHBondContact O-N 2.79Å; A268-G272 VanDerWaalsContact O-N 3.13Å; Q269-G272 PolarHBondContact O-N 2.83Å; R270-G272 PolarHBondContact O-N 2.79Å
273	K	96.3	Very high	96.7	Very high	36 Å²	36	44.1 Å²	44.1	16%	0.157	23%	0.23	C	C	.	.			trans	-72.2	149.9	172.4	-62	-177.8	-178.7	-65.6	0	109.4	F153 A154 S156 V159 A268 L271	F153-K273 WeakPolarHBondContact O-CE 3.39Å; A154-K273 PolarHBondContact O-NZ 2.98Å; S156-K273 PolarHBondContact O-NZ 3.19Å; V159-K273 HydrophobicContact CG2-CB 4.45Å; V159-K273 HydrophobicContact CG2-CD 3.84Å; A268-K273 HydrophobicContact CB-CB 4.29Å; A268-K273 WeakPolarHBondContact O-CB 3.47Å; A268-K273 PolarHBondContact O-N 2.9Å; L271-K273 VanDerWaalsContact C-N 3.25Å; L271-K273 HydrophobicContact CB-CD 4.44Å; L271-K273 HydrophobicContact CB-CG 4.09Å; L271-K273 PolarHBondContact O-N 3.35Å
274	Q	96.1	Very high	96.6	Very high	109 Å²	109	45.7 Å²	45.7	51%	0.509	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	138.7	166	-63.4	-176.7	22.3	0	0	107.8	I158 V159	I158-Q274 CarbonylContact C-O 3.46Å; I158-Q274 WeakPolarHBondContact CA-O 3.39Å; I158-Q274 HydrophobicContact CB-CB 4.42Å; I158-Q274 HydrophobicContact CG1-CB 4.11Å; I158-Q274 HydrophobicContact CG2-CB 3.99Å; V159-Q274 PolarHBondContact N-O 3.44Å
275	H	97.1	Very high	96.5	Very high	54 Å²	54	45.5 Å²	45.5	25%	0.25	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	159.5	175.4	64.2	83.1	0	0	0	112.4	V159 F161 D164 T166 A268	V159-H275 CarbonylContact O-C 3.52Å; V159-H275 WeakPolarHBondContact O-CA 3.5Å; V159-H275 WeakPolarHBondContact O-CB 3.32Å; F161-H275 HydrophobicContact CE2-CB 4.33Å; D164-H275 IonicContact OD1-CE1 3.68Å; D164-H275 IonicContact OD1-ND1 3.76Å; D164-H275 IonicContact OD2-CE1 3.98Å; D164-H275 PolarHBondContact OD2-CE1 3.39Å; D164-H275 VanDerWaalsContact OD2-CE1 3.28Å; D164-H275 IonicContact OD2-ND1 2.72Å; D164-H275 PolarHBondContact OD2-ND1 2.67Å; D164-H275 VanDerWaalsContact OD2-ND1 3.08Å; T166-H275 PolarHBondContact OG1-CE1 3.35Å; A268-H275 HydrophobicContact CB-CB 4.31Å
276	G	96.9	Very high	96.5	Very high	14 Å²	14	48.7 Å²	48.7	14%	0.144	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	-163.7	178.3	0	0	0	0	0	113.2	V159 Y160 F161	V159-G276 PolarHBondContact O-N 2.87Å; V159-G276 VanDerWaalsContact O-N 3.09Å; Y160-G276 WeakPolarHBondContact CA-O 3.37Å; F161-G276 PolarHBondContact N-O 3.27Å
277	A	98.1	Very high	96.6	Very high	28 Å²	28	45.9 Å²	45.9	23%	0.231	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	152.6	-176.4	0	0	0	0	0	111.7	F161 E162 D164	F161-A277 CarbonylContact O-C 3.59Å; F161-A277 VanDerWaalsContact O-CA 3.25Å; F161-A277 WeakPolarHBondContact O-CA 3.39Å; E162-A277 WeakPolarHBondContact O-CB 3.49Å; D164-A277 HydrophobicContact CB-CB 4.47Å
278	V	98.5	Very high	96.6	Very high	8 Å²	8	46.4 Å²	46.4	5%	0.048	24%	0.242	C	C	.	.	S	Bend	trans	-100.2	-2	167.2	-59.6	0	0	0	0	113	Y160 F161 E162 M508 E511 I512 F528 L530	Y160-V278 HydrophobicContact CG-CG1 4.5Å; F161-V278 PolarHBondContact O-N 2.95Å; E162-V278 PolarHBondContact O-N 3.12Å; V278-M508 HydrophobicContact CG2-CB 4.46Å; V278-M508 HydrophobicContact CG2-CG 4.01Å; V278-M508 HydrophobicContact CG2-SD 3.87Å; V278-E511 HydrophobicContact CB-CB 4.34Å; V278-E511 HydrophobicContact CB-CG 4.03Å; V278-E511 HydrophobicContact CG1-CG 4.45Å; V278-E511 WeakPolarHBondContact O-CG 3.48Å; V278-I512 HydrophobicContact CB-CG1 4.5Å; V278-I512 HydrophobicContact CG1-CG1 4.03Å; V278-F528 HydrophobicContact CG1-CD1 3.89Å; V278-F528 HydrophobicContact CG1-CE1 3.99Å; V278-L530 HydrophobicContact CG2-CD2 3.62Å
279	E	98.1	Very high	96.6	Very high	7 Å²	7	47.8 Å²	47.8	3%	0.033	25%	0.249	C	C	.	.	S	Bend	trans	-134.3	164.7	177.8	-58.2	-177.7	116.1	0	0	112.1	E162 L163 D283 R504 M508	E162-E279 WeakPolarHBondContact CB-OE2 3.26Å; E162-E279 WeakPolarHBondContact O-CB 3.24Å; E162-E279 PolarHBondContact O-N 3.43Å; L163-E279 HydrophobicContact CD2-CB 4.25Å; E279-D283 HydrophobicContact CB-CB 4.16Å; E279-R504 WeakPolarHBondContact OE1-CD 3.41Å; E279-R504 WeakPolarHBondContact OE1-CG 3.22Å; E279-R504 IonicContact OE1-CZ 3.78Å; E279-R504 IonicContact OE1-NE 2.61Å; E279-R504 PolarHBondContact OE1-NE 2.72Å; E279-R504 IonicContact OE1-NH2 2.61Å; E279-R504 IonicContact OE2-CZ 3.68Å; E279-R504 IonicContact OE2-NE 3.48Å; E279-R504 PolarHBondContact OE2-NE 3.22Å; E279-R504 IonicContact OE2-NH2 3.86Å; E279-R504 PolarHBondContact OE2-NH2 2.79Å; E279-M508 HydrophobicContact CG-CG 3.55Å; E279-M508 HydrophobicContact CG-SD 3.97Å; E279-M508 WeakPolarHBondContact OE1-CG 3.25Å
280	Q	97.2	Very high	96.6	Very high	131 Å²	131	52.4 Å²	52.4	61%	0.612	26%	0.264	S	S	*	.			trans	-99.4	161	167.4	-57.2	-58.8	-41.4	0	0	110.4	N282 D283	Q280-N282 PolarHBondContact O-N 3.08Å; Q280-D283 WeakPolarHBondContact CB-OD2 3.43Å; Q280-D283 PolarHBondContact N-OD2 2.89Å; Q280-D283 WeakPolarHBondContact O-CB 3.49Å; Q280-D283 PolarHBondContact O-N 3.21Å
281	V	97.5	Very high	96.6	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.03	25%	0.245	C	C	.	.	H	α-helix	trans	-57.1	-37	177.8	171.6	0	0	0	0	112.1	L163 T170 E173 L174 D283 Q284 C285	L163-V281 HydrophobicContact CD1-CG2 4.49Å; L163-V281 HydrophobicContact CD2-CG2 4.42Å; T170-V281 HydrophobicContact CG2-CG2 3.8Å; E173-V281 HydrophobicContact CB-CB 4.09Å; E173-V281 HydrophobicContact CB-CG1 3.92Å; E173-V281 HydrophobicContact CB-CG2 3.9Å; L174-V281 HydrophobicContact CB-CG1 4.5Å; L174-V281 HydrophobicContact CD2-CG1 3.87Å; L174-V281 HydrophobicContact CG-CG1 3.95Å; L174-V281 HydrophobicContact CG-CG2 4.1Å; V281-D283 VanDerWaalsContact C-N 3.26Å; V281-D283 PolarHBondContact O-N 3.09Å; V281-Q284 WeakPolarHBondContact O-CB 3.33Å; V281-Q284 PolarHBondContact O-N 3.19Å; V281-Q284 VanDerWaalsContact O-N 3.12Å; V281-C285 VanDerWaalsContact CG1-SG 3.56Å; V281-C285 PolarHBondContact O-N 2.98Å; V281-C285 PolarHBondContact O-SG 3.44Å
282	N	96.6	Very high	96.6	Very high	107 Å²	107	48.7 Å²	48.7	57%	0.572	25%	0.253	S	S	*	.	H	α-helix	trans	-65.4	-27.8	178.8	-71	-16.8	0	0	0	113.1	Q280 Q284 C285 E286	Q280-N282 PolarHBondContact O-N 3.08Å; N282-Q284 PolarHBondContact O-N 3.31Å; N282-C285 PolarHBondContact O-N 3.09Å; N282-E286 HydrophobicContact CB-CG 4.32Å; N282-E286 VanDerWaalsContact O-CB 3.26Å; N282-E286 WeakPolarHBondContact O-CB 3.35Å; N282-E286 PolarHBondContact O-N 3.06Å
283	D	96.8	Very high	96.6	Very high	41 Å²	41	48.5 Å²	48.5	22%	0.219	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-23.6	176	-66.4	-59.3	0	0	0	112.4	E279 Q280 V281 P287 R507	E279-D283 HydrophobicContact CB-CB 4.16Å; Q280-D283 WeakPolarHBondContact CB-OD2 3.43Å; Q280-D283 PolarHBondContact N-OD2 2.89Å; Q280-D283 WeakPolarHBondContact O-CB 3.49Å; Q280-D283 PolarHBondContact O-N 3.21Å; V281-D283 VanDerWaalsContact C-N 3.26Å; V281-D283 PolarHBondContact O-N 3.09Å; D283-P287 WeakPolarHBondContact O-CD 3.33Å; D283-R507 IonicContact OD1-CZ 3.41Å; D283-R507 IonicContact OD1-NE 3.71Å; D283-R507 PolarHBondContact OD1-NE 3.5Å; D283-R507 VanDerWaalsContact OD1-NE 3.12Å
284	Q	94.2	Very high	96.4	Very high	39 Å²	39	53.6 Å²	53.6	18%	0.182	27%	0.265	C	S	.	.	H	α-helix	trans	-94.5	-43.1	178.8	-65.7	-97.9	34.8	0	0	111.6	L163 V281 N282 R504	L163-Q284 HydrophobicContact CD1-CG 3.93Å; L163-Q284 HydrophobicContact CG-CG 4.26Å; V281-Q284 WeakPolarHBondContact O-CB 3.33Å; V281-Q284 PolarHBondContact O-N 3.19Å; V281-Q284 VanDerWaalsContact O-N 3.12Å; N282-Q284 PolarHBondContact O-N 3.31Å; Q284-R504 VanDerWaalsContact OE1-CZ 3.26Å
285	C	97.1	Very high	96.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-79.9	-41.5	-173.8	-54.8	0	0	0	0	113.5	C177 W239 V281 N282 L288 N289	C177-C285 HydrophobicContact CB-CB 3.53Å; C177-C285 WeakPolarHBondContact CB-SG 3.29Å; C177-C285 WeakPolarHBondContact SG-CB 3.29Å; C177-C285 CovalentContact SG-SG 2.03Å; C177-C285 PolarHBondContact SG-SG 3.5Å; W239-C285 HydrophobicContact CZ2-CB 4.32Å; V281-C285 VanDerWaalsContact CG1-SG 3.56Å; V281-C285 PolarHBondContact O-N 2.98Å; V281-C285 PolarHBondContact O-SG 3.44Å; N282-C285 PolarHBondContact O-N 3.09Å; C285-L288 PolarHBondContact O-N 3.1Å; C285-N289 VanDerWaalsContact O-CB 3.28Å; C285-N289 WeakPolarHBondContact O-CB 3.47Å; C285-N289 PolarHBondContact O-N 2.94Å; C285-N289 PolarHBondContact O-ND2 3.27Å
286	E	96.7	Very high	96.3	Very high	70 Å²	70	47.5 Å²	47.5	33%	0.327	24%	0.237	S	C	.	.	H	α-helix	trans	-62.3	-46.1	-172.2	-81.2	-67.4	119.8	0	0	113.3	N282 L288 N289 R290	N282-E286 HydrophobicContact CB-CG 4.32Å; N282-E286 VanDerWaalsContact O-CB 3.26Å; N282-E286 WeakPolarHBondContact O-CB 3.35Å; N282-E286 PolarHBondContact O-N 3.06Å; E286-L288 VanDerWaalsContact C-N 3.31Å; E286-L288 PolarHBondContact O-N 3.35Å; E286-N289 PolarHBondContact O-N 3.36Å; E286-R290 WeakPolarHBondContact O-CB 3.03Å; E286-R290 WeakPolarHBondContact O-CG 3.43Å; E286-R290 PolarHBondContact O-N 3.18Å; E286-R290 IonicContact OE2-CZ 3.94Å; E286-R290 IonicContact OE2-NE 3.65Å; E286-R290 PolarHBondContact OE2-NE 3.36Å; E286-R290 IonicContact OE2-NH2 2.71Å; E286-R290 PolarHBondContact OE2-NH2 2.88Å
287	P	97.2	Very high	96.3	Very high	8 Å²	8	47.5 Å²	47.5	5%	0.052	23%	0.234	C	C	.	.	H	α-helix	trans	-52.9	-46.7	173.1	-32.9	40.6	0	0	0	113.5	D283 R290 Y495 E499 L500	D283-P287 WeakPolarHBondContact O-CD 3.33Å; P287-R290 PolarHBondContact O-N 2.84Å; P287-Y495 WeakPolarHBondContact O-CE1 3.2Å; P287-Y495 PolarHBondContact O-OH 3.38Å; P287-E499 HydrophobicContact CB-CB 3.91Å; P287-E499 HydrophobicContact CG-CB 4.44Å; P287-L500 HydrophobicContact CB-CD2 3.69Å; P287-L500 HydrophobicContact CG-CD2 4.31Å
288	L	97	Very high	96.1	Very high	20 Å²	20	47.1 Å²	47.1	11%	0.105	23%	0.228	C	C	.	.	H	α-helix	trans	-66.8	-41.8	179.9	-65.6	175.3	0	0	0	111.6	I238 W239 L242 C285 E286 R290 I291 L496 L500	I238-L288 HydrophobicContact CG1-CB 4.11Å; I238-L288 HydrophobicContact CG1-CD2 4.11Å; I238-L288 HydrophobicContact CG2-CB 4.21Å; W239-L288 HydrophobicContact CH2-CD1 3.49Å; W239-L288 VanDerWaalsContact CH2-CD1 3.49Å; W239-L288 HydrophobicContact CZ2-CB 4.32Å; W239-L288 HydrophobicContact CZ2-CD1 3.87Å; W239-L288 HydrophobicContact CZ3-CD1 3.93Å; L242-L288 HydrophobicContact CD1-CD1 4.07Å; C285-L288 PolarHBondContact O-N 3.1Å; E286-L288 VanDerWaalsContact C-N 3.31Å; E286-L288 PolarHBondContact O-N 3.35Å; L288-R290 PolarHBondContact O-N 3.08Å; L288-I291 HydrophobicContact CD2-CD1 4.14Å; L288-I291 WeakPolarHBondContact O-CD1 3.21Å; L288-I291 WeakPolarHBondContact O-CG1 3.42Å; L288-I291 PolarHBondContact O-N 3.07Å; L288-L496 HydrophobicContact CD2-CD2 4.21Å; L288-L500 HydrophobicContact CD2-CD1 4.15Å
289	N	96.1	Very high	95.8	Very high	28 Å²	28	47.1 Å²	47.1	15%	0.15	23%	0.228	C	C	.	.	H	α-helix	trans	-70.4	-17.4	-177.9	-74.5	-18.7	0	0	0	113.6	C177 R236 W239 C285 E286	C177-N289 PolarHBondContact O-ND2 2.74Å; C177-N289 VanDerWaalsContact O-ND2 3.11Å; R236-N289 WeakPolarHBondContact CD-OD1 3.49Å; W239-N289 PolarHBondContact NE1-OD1 2.76Å; C285-N289 VanDerWaalsContact O-CB 3.28Å; C285-N289 WeakPolarHBondContact O-CB 3.47Å; C285-N289 PolarHBondContact O-N 2.94Å; C285-N289 PolarHBondContact O-ND2 3.27Å; E286-N289 PolarHBondContact O-N 3.36Å
290	R	95.6	Very high	95.6	Very high	169 Å²	169	46.8 Å²	46.8	64%	0.638	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-6.4	178.8	-72.9	172.3	-170.3	-157.7	2.9	114.1	E286 P287 L288 N292 Y495	E286-R290 WeakPolarHBondContact O-CB 3.03Å; E286-R290 WeakPolarHBondContact O-CG 3.43Å; E286-R290 PolarHBondContact O-N 3.18Å; E286-R290 IonicContact OE2-CZ 3.94Å; E286-R290 IonicContact OE2-NE 3.65Å; E286-R290 PolarHBondContact OE2-NE 3.36Å; E286-R290 IonicContact OE2-NH2 2.71Å; E286-R290 PolarHBondContact OE2-NH2 2.88Å; P287-R290 PolarHBondContact O-N 2.84Å; L288-R290 PolarHBondContact O-N 3.08Å; R290-N292 PolarHBondContact O-N 3.27Å; R290-Y495 WeakPolarHBondContact CB-OH 3.41Å
291	I	95.7	Very high	95.4	Very high	14 Å²	14	43 Å²	43	7%	0.072	21%	0.209	C	C	.	.	S	Bend	trans	-59.4	138.1	176.9	-58.4	169.8	0	0	0	109.6	I238 L288 V293 Q295 V296 L492 Y495 L496	I238-I291 HydrophobicContact CD1-CD1 3.58Å; I238-I291 HydrophobicContact CG1-CD1 3.82Å; L288-I291 HydrophobicContact CD2-CD1 4.14Å; L288-I291 WeakPolarHBondContact O-CD1 3.21Å; L288-I291 WeakPolarHBondContact O-CG1 3.42Å; L288-I291 PolarHBondContact O-N 3.07Å; I291-V293 PolarHBondContact O-N 3.16Å; I291-Q295 HydrophobicContact CG2-CB 4.35Å; I291-V296 HydrophobicContact CB-CG2 3.84Å; I291-V296 HydrophobicContact CG2-CG2 3.39Å; I291-L492 HydrophobicContact CD1-CD1 4.26Å; I291-L492 HydrophobicContact CG2-CD1 3.37Å; I291-Y495 HydrophobicContact CB-CE1 4.45Å; I291-Y495 HydrophobicContact CD1-CE1 4.45Å; I291-Y495 HydrophobicContact CG1-CD1 3.83Å; I291-Y495 HydrophobicContact CG1-CE1 3.45Å; I291-Y495 VanDerWaalsContact CG1-CE1 3.45Å; I291-L496 HydrophobicContact CD1-CD2 3.7Å
292	N	95	Very high	95.1	Very high	82 Å²	82	44.2 Å²	44.2	44%	0.439	22%	0.215	S	C	.	.			trans	-58.6	127.8	179	-173.7	-57.2	0	0	0	110.9	R290 H294 Q295 V296	R290-N292 PolarHBondContact O-N 3.27Å; N292-H294 PolarHBondContact O-N 3.27Å; N292-H294 VanDerWaalsContact O-N 3.14Å; N292-H294 VanDerWaalsContact OD1-CB 3.27Å; N292-H294 WeakPolarHBondContact OD1-CB 3.36Å; N292-H294 PolarHBondContact OD1-CD2 2.74Å; N292-H294 PolarHBondContact OD1-N 3.12Å; N292-Q295 HydrophobicContact CB-CB 4.33Å; N292-Q295 HydrophobicContact CB-CG 4.03Å; N292-Q295 WeakPolarHBondContact O-CB 3.4Å; N292-Q295 PolarHBondContact O-N 3.2Å; N292-V296 PolarHBondContact O-N 3.33Å; N292-V296 VanDerWaalsContact O-N 3.09Å
293	V	94	Very high	94.7	Very high	49 Å²	49	40.1 Å²	40.1	30%	0.297	19%	0.194	S	C	.	.	H	α-helix	trans	-56.8	-33.1	-178.1	69.1	0	0	0	0	113	L189 P237 I291 V296 T297	L189-V293 HydrophobicContact CB-CG2 4.14Å; L189-V293 HydrophobicContact CD2-CG2 4.41Å; P237-V293 HydrophobicContact CG-CG2 4.49Å; I291-V293 PolarHBondContact O-N 3.16Å; V293-V296 PolarHBondContact O-N 3.04Å; V293-T297 VanDerWaalsContact O-CB 3.24Å; V293-T297 WeakPolarHBondContact O-CB 3.48Å; V293-T297 PolarHBondContact O-N 2.89Å; V293-T297 PolarHBondContact O-OG1 3.23Å
294	H	94	Very high	94.5	Very high	143 Å²	143	38.1 Å²	38.1	66%	0.662	18%	0.183	S	C	*	.	H	α-helix	trans	-67.8	-40.7	176.7	-63.9	-64.4	0	0	0	112.2	N292 T297 F298	N292-H294 PolarHBondContact O-N 3.27Å; N292-H294 VanDerWaalsContact O-N 3.14Å; N292-H294 VanDerWaalsContact OD1-CB 3.27Å; N292-H294 WeakPolarHBondContact OD1-CB 3.36Å; N292-H294 PolarHBondContact OD1-CD2 2.74Å; N292-H294 PolarHBondContact OD1-N 3.12Å; H294-T297 PolarHBondContact O-N 2.77Å; H294-F298 WeakPolarHBondContact O-CB 3.35Å; H294-F298 PolarHBondContact O-N 3.43Å
295	Q	94.8	Very high	94.2	Very high	30 Å²	30	39.4 Å²	39.4	14%	0.14	19%	0.192	C	C	.	.	H	α-helix	trans	-62.3	-47.2	175.2	-69.5	170.9	-30.3	0	0	110.6	I291 N292 F298 A299 T488 L492	I291-Q295 HydrophobicContact CG2-CB 4.35Å; N292-Q295 HydrophobicContact CB-CB 4.33Å; N292-Q295 HydrophobicContact CB-CG 4.03Å; N292-Q295 WeakPolarHBondContact O-CB 3.4Å; N292-Q295 PolarHBondContact O-N 3.2Å; Q295-F298 PolarHBondContact O-N 3.3Å; Q295-A299 WeakPolarHBondContact O-CB 3.25Å; Q295-A299 PolarHBondContact O-N 3.23Å; Q295-T488 HydrophobicContact CB-CG2 4.18Å; Q295-T488 HydrophobicContact CG-CG2 3.76Å; Q295-L492 HydrophobicContact CB-CB 4.34Å; Q295-L492 HydrophobicContact CB-CD1 4.34Å
296	V	95.4	Very high	93.6	Very high	4 Å²	4	44 Å²	44	2%	0.024	22%	0.216	C	C	.	.	H	α-helix	trans	-65.7	-41.6	178.8	-175.5	0	0	0	0	111.8	P237 I238 I291 N292 V293 F298 A299 L300	P237-V296 VanDerWaalsContact C-CG1 3.44Å; P237-V296 HydrophobicContact CB-CB 4.31Å; P237-V296 HydrophobicContact CB-CG1 3.6Å; I238-V296 HydrophobicContact CB-CG1 4.28Å; I238-V296 HydrophobicContact CB-CG2 4.37Å; I238-V296 HydrophobicContact CD1-CG1 4.46Å; I238-V296 HydrophobicContact CD1-CG2 4.34Å; I291-V296 HydrophobicContact CB-CG2 3.84Å; I291-V296 HydrophobicContact CG2-CG2 3.39Å; N292-V296 PolarHBondContact O-N 3.33Å; N292-V296 VanDerWaalsContact O-N 3.09Å; V293-V296 PolarHBondContact O-N 3.04Å; V296-F298 VanDerWaalsContact C-N 3.29Å; V296-F298 PolarHBondContact O-N 3.15Å; V296-A299 PolarHBondContact O-N 2.82Å; V296-L300 HydrophobicContact CG1-CD1 4.2Å; V296-L300 HydrophobicContact CG1-CG 4.42Å; V296-L300 WeakPolarHBondContact O-CB 3.21Å; V296-L300 WeakPolarHBondContact O-CG 3.41Å; V296-L300 PolarHBondContact O-N 3.4Å
297	T	95.8	Very high	93.1	Very high	14 Å²	14	42 Å²	42	9%	0.086	21%	0.208	C	C	.	.	H	α-helix	trans	-60.1	-43.7	177.5	-61	0	0	0	0	110.6	L190 L194 V293 H294 L300 E301	L190-T297 HydrophobicContact CD2-CG2 4.21Å; L190-T297 VanDerWaalsContact CD2-OG1 3.32Å; L190-T297 WeakPolarHBondContact CD2-OG1 3.3Å; L194-T297 HydrophobicContact CD2-CG2 3.78Å; V293-T297 VanDerWaalsContact O-CB 3.24Å; V293-T297 WeakPolarHBondContact O-CB 3.48Å; V293-T297 PolarHBondContact O-N 2.89Å; V293-T297 PolarHBondContact O-OG1 3.23Å; H294-T297 PolarHBondContact O-N 2.77Å; T297-L300 WeakPolarHBondContact O-CB 3.29Å; T297-L300 PolarHBondContact O-N 3.47Å; T297-E301 WeakPolarHBondContact O-CG 3.46Å; T297-E301 PolarHBondContact O-N 2.8Å
298	F	94.2	Very high	92.7	Very high	21 Å²	21	43.8 Å²	43.8	9%	0.092	22%	0.215	C	C	.	.	H	α-helix	trans	-65.5	-44.1	177.2	-178.1	-121	0	0	0	112.3	H294 Q295 V296 L300 E301 I302 L481 Q485 T488 L489	H294-F298 WeakPolarHBondContact O-CB 3.35Å; H294-F298 PolarHBondContact O-N 3.43Å; Q295-F298 PolarHBondContact O-N 3.3Å; V296-F298 VanDerWaalsContact C-N 3.29Å; V296-F298 PolarHBondContact O-N 3.15Å; F298-L300 VanDerWaalsContact C-N 3.31Å; F298-L300 PolarHBondContact O-N 3.06Å; F298-E301 PolarHBondContact O-N 2.98Å; F298-I302 HydrophobicContact CD1-CD1 4.08Å; F298-I302 HydrophobicContact CD2-CD1 4.45Å; F298-I302 HydrophobicContact CE1-CD1 3.4Å; F298-I302 VanDerWaalsContact CE1-CD1 3.4Å; F298-I302 HydrophobicContact CE1-CG1 4.47Å; F298-I302 HydrophobicContact CE2-CD1 3.81Å; F298-I302 HydrophobicContact CE2-CG1 4.06Å; F298-I302 HydrophobicContact CZ-CD1 3.24Å; F298-I302 HydrophobicContact CZ-CG1 3.98Å; F298-I302 PolarHBondContact O-N 3.33Å; F298-I302 VanDerWaalsContact O-N 3.08Å; F298-L481 HydrophobicContact CE1-CD1 4.35Å; F298-L481 HydrophobicContact CZ-CD1 4.02Å; F298-L481 HydrophobicContact CZ-CD2 3.96Å; F298-Q485 HydrophobicContact CD2-CG 4.36Å; F298-Q485 HydrophobicContact CE1-CB 3.78Å; F298-Q485 HydrophobicContact CE1-CG 4.1Å; F298-Q485 WeakPolarHBondContact CE1-O 3.26Å; F298-Q485 HydrophobicContact CE2-CB 4.1Å; F298-Q485 HydrophobicContact CE2-CG 3.58Å; F298-Q485 VanDerWaalsContact CE2-NE2 3.3Å; F298-Q485 HydrophobicContact CZ-CB 3.38Å; F298-Q485 HydrophobicContact CZ-CG 3.41Å; F298-Q485 VanDerWaalsContact CZ-CG 3.41Å; F298-T488 HydrophobicContact CB-CG2 4.36Å; F298-T488 HydrophobicContact CD1-CG2 3.94Å; F298-T488 HydrophobicContact CG-CG2 4.48Å; F298-L489 HydrophobicContact CD1-CD2 4.07Å; F298-L489 HydrophobicContact CD1-CG 4.19Å; F298-L489 HydrophobicContact CE1-CD1 4.06Å; F298-L489 HydrophobicContact CE1-CD2 4.05Å; F298-L489 HydrophobicContact CE1-CG 3.78Å
299	A	92.8	Very high	91.9	Very high	8 Å²	8	48.3 Å²	48.3	7%	0.066	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-38.7	175.5	0	0	0	0	0	112.3	L241 Q295 V296 T303 L492	L241-A299 HydrophobicContact CD1-CB 4.35Å; L241-A299 HydrophobicContact CD2-CB 3.76Å; Q295-A299 WeakPolarHBondContact O-CB 3.25Å; Q295-A299 PolarHBondContact O-N 3.23Å; V296-A299 PolarHBondContact O-N 2.82Å; A299-T303 VanDerWaalsContact O-CB 3.26Å; A299-T303 WeakPolarHBondContact O-CB 3.34Å; A299-T303 PolarHBondContact O-N 3.37Å; A299-T303 PolarHBondContact O-OG1 2.87Å; A299-L492 HydrophobicContact CB-CD2 4.1Å
300	L	94.8	Very high	90.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-44.6	172.7	-82.1	170.7	0	0	0	111.9	L190 L194 P237 L240 L241 L244 V296 T297 F298 T303 L304	L190-L300 HydrophobicContact CD1-CD1 4.17Å; L190-L300 HydrophobicContact CD2-CD1 4.29Å; L194-L300 HydrophobicContact CD2-CB 4.42Å; P237-L300 HydrophobicContact CB-CD1 4.07Å; L240-L300 HydrophobicContact CB-CD2 4.13Å; L241-L300 HydrophobicContact CB-CD2 3.83Å; L241-L300 HydrophobicContact CB-CG 4.19Å; L241-L300 HydrophobicContact CD1-CD2 4.24Å; L244-L300 HydrophobicContact CD1-CD2 3.87Å; V296-L300 HydrophobicContact CG1-CD1 4.2Å; V296-L300 HydrophobicContact CG1-CG 4.42Å; V296-L300 WeakPolarHBondContact O-CB 3.21Å; V296-L300 WeakPolarHBondContact O-CG 3.41Å; V296-L300 PolarHBondContact O-N 3.4Å; T297-L300 WeakPolarHBondContact O-CB 3.29Å; T297-L300 PolarHBondContact O-N 3.47Å; F298-L300 VanDerWaalsContact C-N 3.31Å; F298-L300 PolarHBondContact O-N 3.06Å; L300-T303 PolarHBondContact O-N 3.32Å; L300-L304 WeakPolarHBondContact O-CB 3.41Å; L300-L304 PolarHBondContact O-N 2.76Å
301	E	92.8	Very high	89.4	Confident	51 Å²	51	45.4 Å²	45.4	24%	0.238	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-47	178.4	-76.1	176.1	-179.8	0	0	111.7	L194 T297 F298 N305	L194-E301 HydrophobicContact CD1-CG 3.94Å; L194-E301 HydrophobicContact CD2-CG 4.03Å; T297-E301 WeakPolarHBondContact O-CG 3.46Å; T297-E301 PolarHBondContact O-N 2.8Å; F298-E301 PolarHBondContact O-N 2.98Å; E301-N305 WeakPolarHBondContact O-CB 3.22Å; E301-N305 PolarHBondContact O-N 3.3Å; E301-N305 PolarHBondContact O-ND2 2.81Å; E301-N305 PolarHBondContact O-OD1 2.62Å
302	I	89.7	Confident	87.3	Confident	30 Å²	30	50.3 Å²	50.3	15%	0.154	27%	0.269	C	S	.	.	H	α-helix	trans	-63.2	-48.9	176.7	-68.4	170.4	0	0	0	110.8	F298 L304 N305 N306 L481 L489	F298-I302 HydrophobicContact CD1-CD1 4.08Å; F298-I302 HydrophobicContact CD2-CD1 4.45Å; F298-I302 HydrophobicContact CE1-CD1 3.4Å; F298-I302 VanDerWaalsContact CE1-CD1 3.4Å; F298-I302 HydrophobicContact CE1-CG1 4.47Å; F298-I302 HydrophobicContact CE2-CD1 3.81Å; F298-I302 HydrophobicContact CE2-CG1 4.06Å; F298-I302 HydrophobicContact CZ-CD1 3.24Å; F298-I302 HydrophobicContact CZ-CG1 3.98Å; F298-I302 PolarHBondContact O-N 3.33Å; F298-I302 VanDerWaalsContact O-N 3.08Å; I302-L304 VanDerWaalsContact C-N 3.3Å; I302-L304 PolarHBondContact O-N 2.82Å; I302-N305 WeakPolarHBondContact O-CB 3.36Å; I302-N305 PolarHBondContact O-N 3.39Å; I302-N306 PolarHBondContact O-N 3.49Å; I302-L481 HydrophobicContact CD1-CD1 3.99Å; I302-L481 HydrophobicContact CD1-CD2 4.34Å; I302-L489 HydrophobicContact CD1-CD1 3.98Å; I302-L489 HydrophobicContact CD1-CD2 4.31Å
303	T	89.2	Confident	84.6	Confident	21 Å²	21	50.7 Å²	50.7	13%	0.129	28%	0.276	C	S	.	.	H	α-helix	trans	-58.1	-46.7	-179.1	-61.6	0	0	0	0	110.5	L241 L244 A299 L300 N306 L307	L241-T303 HydrophobicContact CD1-CG2 4.12Å; L241-T303 WeakPolarHBondContact CD1-OG1 3.3Å; L244-T303 HydrophobicContact CB-CG2 4.36Å; A299-T303 VanDerWaalsContact O-CB 3.26Å; A299-T303 WeakPolarHBondContact O-CB 3.34Å; A299-T303 PolarHBondContact O-N 3.37Å; A299-T303 PolarHBondContact O-OG1 2.87Å; L300-T303 PolarHBondContact O-N 3.32Å; T303-N306 PolarHBondContact O-N 3.36Å; T303-L307 HydrophobicContact CG2-CD1 3.9Å; T303-L307 HydrophobicContact CG2-CG 4.42Å; T303-L307 VanDerWaalsContact O-CG 3.29Å; T303-L307 WeakPolarHBondContact O-CG 3.37Å; T303-L307 PolarHBondContact O-N 3.36Å
304	L	91.7	Very high	81.5	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-66.4	-38.8	179.8	-170.3	59.8	0	0	0	112.1	L194 R197 L198 Y201 L300 I302 N306 L307 E308	L194-L304 HydrophobicContact CD1-CD2 4.03Å; R197-L304 HydrophobicContact CB-CD2 3.56Å; L198-L304 HydrophobicContact CD2-CD1 4.47Å; L198-L304 HydrophobicContact CD2-CD2 3.93Å; L198-L304 HydrophobicContact CG-CD2 4.09Å; Y201-L304 HydrophobicContact CD1-CD1 4.05Å; Y201-L304 HydrophobicContact CD2-CD1 3.94Å; Y201-L304 HydrophobicContact CG-CD1 3.62Å; L300-L304 WeakPolarHBondContact O-CB 3.41Å; L300-L304 PolarHBondContact O-N 2.76Å; I302-L304 VanDerWaalsContact C-N 3.3Å; I302-L304 PolarHBondContact O-N 2.82Å; L304-N306 VanDerWaalsContact C-N 3.32Å; L304-N306 PolarHBondContact O-N 3.3Å; L304-L307 PolarHBondContact O-N 3.48Å; L304-E308 HydrophobicContact CD1-CG 4.3Å; L304-E308 HydrophobicContact CG-CG 4.35Å; L304-E308 WeakPolarHBondContact O-CB 3.5Å; L304-E308 VanDerWaalsContact O-CG 3.27Å; L304-E308 WeakPolarHBondContact O-CG 3.41Å; L304-E308 PolarHBondContact O-N 3.4Å
305	N	89	Confident	78.5	Confident	66 Å²	66	55.6 Å²	55.6	35%	0.353	30%	0.295	S	S	.	.	H	α-helix	trans	-56.9	-47.2	172.6	-67.6	-18.5	0	0	0	111.1	R197 E301 I302 E308 N309	R197-N305 PolarHBondContact NH1-OD1 3.28Å; R197-N305 PolarHBondContact NH2-OD1 3.49Å; E301-N305 WeakPolarHBondContact O-CB 3.22Å; E301-N305 PolarHBondContact O-N 3.3Å; E301-N305 PolarHBondContact O-ND2 2.81Å; E301-N305 PolarHBondContact O-OD1 2.62Å; I302-N305 WeakPolarHBondContact O-CB 3.36Å; I302-N305 PolarHBondContact O-N 3.39Å; N305-E308 PolarHBondContact O-N 3.43Å; N305-N309 WeakPolarHBondContact O-CB 3.26Å; N305-N309 PolarHBondContact O-N 3.47Å; N305-N309 PolarHBondContact O-ND2 3.29Å; N305-N309 VanDerWaalsContact O-ND2 3.16Å
306	N	85.3	Confident	75.6	Confident	96 Å²	96	59 Å²	59	51%	0.513	31%	0.311	S	S	.	.	H	α-helix	trans	-64.2	-43.5	-178.8	-68.4	-11.3	0	0	0	111.5	I302 T303 L304 N309 A310	I302-N306 PolarHBondContact O-N 3.49Å; T303-N306 PolarHBondContact O-N 3.36Å; L304-N306 VanDerWaalsContact C-N 3.32Å; L304-N306 PolarHBondContact O-N 3.3Å; N306-N309 PolarHBondContact O-N 2.95Å; N306-A310 WeakPolarHBondContact O-CB 3.44Å; N306-A310 PolarHBondContact O-N 3.49Å
307	L	86.2	Confident	72.4	Confident	29 Å²	29	63.6 Å²	63.6	15%	0.152	34%	0.335	C	S	.	.	H	α-helix	trans	-67.2	-39.9	178.5	-70.4	174.4	0	0	0	113	Y201 L244 T303 L304 N309 N311	Y201-L307 HydrophobicContact CE1-CD1 4.17Å; Y201-L307 HydrophobicContact CE2-CB 3.71Å; L244-L307 HydrophobicContact CB-CD1 3.94Å; T303-L307 HydrophobicContact CG2-CD1 3.9Å; T303-L307 HydrophobicContact CG2-CG 4.42Å; T303-L307 VanDerWaalsContact O-CG 3.29Å; T303-L307 WeakPolarHBondContact O-CG 3.37Å; T303-L307 PolarHBondContact O-N 3.36Å; L304-L307 PolarHBondContact O-N 3.48Å; L307-N309 VanDerWaalsContact C-N 3.35Å; L307-N311 PolarHBondContact O-N 3.04Å; L307-N311 PolarHBondContact O-ND2 3.39Å
308	E	86.8	Confident	69.1	Low	44 Å²	44	66.3 Å²	66.3	21%	0.206	35%	0.352	C	S	.	.	H	α-helix	trans	-64.6	-40.8	175	-74.6	173.7	164.1	0	0	111	R197 Y201 L304 N305 H312	R197-E308 IonicContact CZ-OE2 3.81Å; R197-E308 IonicContact NE-OE1 2.74Å; R197-E308 IonicContact NE-OE2 3.54Å; R197-E308 PolarHBondContact NE-OE2 2.99Å; R197-E308 IonicContact NH2-OE1 3.61Å; R197-E308 IonicContact NH2-OE2 2.66Å; R197-E308 PolarHBondContact NH2-OE2 2.9Å; Y201-E308 HydrophobicContact CD2-CG 4.07Å; L304-E308 HydrophobicContact CD1-CG 4.3Å; L304-E308 HydrophobicContact CG-CG 4.35Å; L304-E308 WeakPolarHBondContact O-CB 3.5Å; L304-E308 VanDerWaalsContact O-CG 3.27Å; L304-E308 WeakPolarHBondContact O-CG 3.41Å; L304-E308 PolarHBondContact O-N 3.4Å; N305-E308 PolarHBondContact O-N 3.43Å; E308-H312 PolarHBondContact O-CD2 3.17Å
309	N	81.5	Confident	65.9	Low	116 Å²	116	69.9 Å²	69.9	62%	0.62	37%	0.372	S	S	*	.	H	α-helix	trans	-69	-40	178.4	-69.7	-23	0	0	0	112.6	N305 N306 L307 N311 H312	N305-N309 WeakPolarHBondContact O-CB 3.26Å; N305-N309 PolarHBondContact O-N 3.47Å; N305-N309 PolarHBondContact O-ND2 3.29Å; N305-N309 VanDerWaalsContact O-ND2 3.16Å; N306-N309 PolarHBondContact O-N 2.95Å; L307-N309 VanDerWaalsContact C-N 3.35Å; N309-N311 VanDerWaalsContact C-N 3.3Å; N309-N311 PolarHBondContact O-N 2.93Å; N309-H312 PolarHBondContact O-N 3.44Å
310	A	73.4	Confident	62.8	Low	72 Å²	72	77.3 Å²	77.3	60%	0.595	40%	0.399	S	S	*	.	H	α-helix	trans	-64.3	-32.5	178.7	0	0	0	0	0	113	N306 H312	N306-A310 WeakPolarHBondContact O-CB 3.44Å; N306-A310 PolarHBondContact O-N 3.49Å; A310-H312 VanDerWaalsContact C-N 3.25Å; A310-H312 PolarHBondContact O-N 3.29Å
311	N	65.5	Low	59.5	Low	64 Å²	64	83.8 Å²	83.8	34%	0.342	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	2.6	178.5	-74.6	-37.6	0	0	0	114.2	Y201 L307 N309 P313	Y201-N311 WeakPolarHBondContact CE2-ND2 3.49Å; L307-N311 PolarHBondContact O-N 3.04Å; L307-N311 PolarHBondContact O-ND2 3.39Å; N309-N311 VanDerWaalsContact C-N 3.3Å; N309-N311 PolarHBondContact O-N 2.93Å; N311-P313 VanDerWaalsContact O-CD 3.23Å; N311-P313 WeakPolarHBondContact O-CD 3.38Å
312	H	51.3	Low	56.4	Low	117 Å²	117	85.7 Å²	85.7	54%	0.542	44%	0.439	S	S	.	.			trans	-109.4	47.1	176.4	-73.2	-51.1	0	0	0	115.1	E308 N309 A310 M314	E308-H312 PolarHBondContact O-CD2 3.17Å; N309-H312 PolarHBondContact O-N 3.44Å; A310-H312 VanDerWaalsContact C-N 3.25Å; A310-H312 PolarHBondContact O-N 3.29Å; H312-M314 VanDerWaalsContact C-N 3.25Å; H312-M314 PolarHBondContact O-N 3.28Å
313	P	39.7	Very low	53.4	Low	90 Å²	90	89.2 Å²	89.2	58%	0.584	46%	0.459	S	S	*	.	H	α-helix	trans	-66.4	-28.6	176.7	27.1	-31.1	0	0	0	112.2	N311 K315 H316	N311-P313 VanDerWaalsContact O-CD 3.23Å; N311-P313 WeakPolarHBondContact O-CD 3.38Å; P313-K315 PolarHBondContact O-N 2.71Å; P313-H316 PolarHBondContact O-N 3.24Å
314	M	27.9	Very low	50.5	Low	141 Å²	141	92.6 Å²	92.6	70%	0.695	48%	0.479	S	S	*	.	H	α-helix	trans	-81.6	-13.6	-171.5	-144.9	159.2	98.1	0	0	114.9	H312 H316 T318	H312-M314 VanDerWaalsContact C-N 3.25Å; H312-M314 PolarHBondContact O-N 3.28Å; M314-H316 VanDerWaalsContact C-N 3.3Å; M314-T318 PolarHBondContact O-N 2.82Å; M314-T318 PolarHBondContact O-OG1 3.4Å
315	K	31.7	Very low	47.4	Very low	154 Å²	154	98.9 Å²	98.9	67%	0.67	51%	0.512	S	S	*	.	H	α-helix	trans	-73.7	-25.4	168.5	-104.1	-176.6	178.1	178.8	0	112	P313 N319	P313-K315 PolarHBondContact O-N 2.71Å; K315-N319 WeakPolarHBondContact O-CB 3.4Å; K315-N319 PolarHBondContact O-N 3.18Å
316	H	32.4	Very low	44.4	Very low	102 Å²	102	102.9 Å²	102.9	47%	0.472	53%	0.529	S	S	.	.	H	α-helix	trans	-77.2	-35.1	178.2	-125.9	-80.1	0	0	0	112.2	P313 M314 Y320 F348	P313-H316 PolarHBondContact O-N 3.24Å; M314-H316 VanDerWaalsContact C-N 3.3Å; H316-Y320 VanDerWaalsContact O-CB 3.3Å; H316-Y320 WeakPolarHBondContact O-CB 3.18Å; H316-Y320 PolarHBondContact O-N 3.17Å; H316-F348 AromaticContact NE2-CE1 3.53Å
317	L	27.9	Very low	41.6	Very low	100 Å²	100	105.9 Å²	105.9	52%	0.524	54%	0.543	S	S	.	.	H	α-helix	trans	-74.6	-45.7	175.4	-84.7	149.7	0	0	0	112.5	N319 Y320 F321	L317-N319 PolarHBondContact O-N 3.44Å; L317-Y320 PolarHBondContact O-N 2.98Å; L317-Y320 VanDerWaalsContact O-N 3.13Å; L317-F321 HydrophobicContact CD2-CE2 3.78Å; L317-F321 WeakPolarHBondContact O-CD2 3.38Å; L317-F321 PolarHBondContact O-N 3.08Å
318	T	26.7	Very low	38.6	Very low	71 Å²	71	106.7 Å²	106.7	44%	0.436	56%	0.558	S	S	.	*	H	α-helix	trans	-67	-35.3	-177.3	-46.9	0	0	0	0	112.6	M314 N322	M314-T318 PolarHBondContact O-N 2.82Å; M314-T318 PolarHBondContact O-OG1 3.4Å; T318-N322 WeakPolarHBondContact O-CB 3.4Å; T318-N322 VanDerWaalsContact O-CG 3.24Å; T318-N322 PolarHBondContact O-N 2.79Å; T318-N322 VanDerWaalsContact O-N 3.11Å; T318-N322 PolarHBondContact O-ND2 3.34Å
319	N	28	Very low	35.5	Very low	96 Å²	96	113.7 Å²	113.7	51%	0.513	59%	0.59	S	S	.	*	H	α-helix	trans	-74.4	-26.7	173.7	-77.2	-5.3	0	0	0	112.8	K315 L317 N323	K315-N319 WeakPolarHBondContact O-CB 3.4Å; K315-N319 PolarHBondContact O-N 3.18Å; L317-N319 PolarHBondContact O-N 3.44Å; N319-N323 VanDerWaalsContact O-CB 3.23Å; N319-N323 WeakPolarHBondContact O-CB 3.28Å; N319-N323 PolarHBondContact O-N 3.33Å; N319-N323 PolarHBondContact O-ND2 3.06Å
320	Y	27.3	Very low	32.7	Very low	164 Å²	164	115 Å²	115	64%	0.643	60%	0.602	S	S	*	*	H	α-helix	trans	-70.7	-44.7	175	-157.4	-95.6	0	0	0	111	H316 L317 N322 N323 V324	H316-Y320 VanDerWaalsContact O-CB 3.3Å; H316-Y320 WeakPolarHBondContact O-CB 3.18Å; H316-Y320 PolarHBondContact O-N 3.17Å; L317-Y320 PolarHBondContact O-N 2.98Å; L317-Y320 VanDerWaalsContact O-N 3.13Å; Y320-N322 PolarHBondContact O-N 3.45Å; Y320-N323 PolarHBondContact O-N 3.25Å; Y320-V324 HydrophobicContact CD1-CG2 4.3Å; Y320-V324 HydrophobicContact CE1-CG2 4.25Å; Y320-V324 VanDerWaalsContact O-CG2 3.29Å; Y320-V324 WeakPolarHBondContact O-CG2 3.35Å; Y320-V324 PolarHBondContact O-N 3.47Å; Y320-V324 VanDerWaalsContact O-N 3.12Å
321	F	26.1	Very low	30.2	Very low	135 Å²	135	116.9 Å²	116.9	59%	0.592	61%	0.611	S	S	*	*	H	α-helix	trans	-67.5	-33.8	175.7	-75.5	-71	0	0	0	113.2	L317	L317-F321 HydrophobicContact CD2-CE2 3.78Å; L317-F321 WeakPolarHBondContact O-CD2 3.38Å; L317-F321 PolarHBondContact O-N 3.08Å
322	N	26.8	Very low	28.1	Very low	92 Å²	92	121.6 Å²	121.6	49%	0.492	63%	0.631	S	S	.	*	H	α-helix	trans	-75.7	-31.5	176.8	-71.5	-16.3	0	0	0	113	T318 Y320	T318-N322 WeakPolarHBondContact O-CB 3.4Å; T318-N322 VanDerWaalsContact O-CG 3.24Å; T318-N322 PolarHBondContact O-N 2.79Å; T318-N322 VanDerWaalsContact O-N 3.11Å; T318-N322 PolarHBondContact O-ND2 3.34Å; Y320-N322 PolarHBondContact O-N 3.45Å
323	N	27.5	Very low	26.7	Very low	104 Å²	104	123.3 Å²	123.3	56%	0.556	64%	0.644	S	S	*	*	H	α-helix	trans	-82.6	-24.7	179.8	-79.6	-18.3	0	0	0	113.8	N319 Y320 N325 H326 I327	N319-N323 VanDerWaalsContact O-CB 3.23Å; N319-N323 WeakPolarHBondContact O-CB 3.28Å; N319-N323 PolarHBondContact O-N 3.33Å; N319-N323 PolarHBondContact O-ND2 3.06Å; Y320-N323 PolarHBondContact O-N 3.25Å; N323-N325 PolarHBondContact O-N 3.42Å; N323-H326 PolarHBondContact O-N 3.34Å; N323-I327 WeakPolarHBondContact O-CG1 3.45Å; N323-I327 PolarHBondContact O-N 2.89Å
324	V	28	Very low	25.9	Very low	91 Å²	91	124.9 Å²	124.9	55%	0.552	66%	0.657	S	S	*	*	H	α-helix	trans	-65.2	-26.8	172.9	174.6	0	0	0	0	111.4	Y320	Y320-V324 HydrophobicContact CD1-CG2 4.3Å; Y320-V324 HydrophobicContact CE1-CG2 4.25Å; Y320-V324 VanDerWaalsContact O-CG2 3.29Å; Y320-V324 WeakPolarHBondContact O-CG2 3.35Å; Y320-V324 PolarHBondContact O-N 3.47Å; Y320-V324 VanDerWaalsContact O-N 3.12Å
325	N	25.7	Very low	25.6	Very low	133 Å²	133	122.7 Å²	122.7	71%	0.711	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-5.8	176.6	-72.6	-17.2	0	0	0	114.8	N323	N323-N325 PolarHBondContact O-N 3.42Å
326	H	26.7	Very low	25.1	Very low	150 Å²	150	122.4 Å²	122.4	69%	0.694	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.3	13.2	-176.6	-81.2	-60	0	0	0	115.1	N323 G328	N323-H326 PolarHBondContact O-N 3.34Å; H326-G328 PolarHBondContact O-N 3.02Å
327	I	25.5	Very low	24.7	Very low	159 Å²	159	125.2 Å²	125.2	82%	0.815	68%	0.68	S	S	*	*			trans	-80.9	70.9	163.2	-57.4	163.2	0	0	0	108.1	N323	N323-I327 WeakPolarHBondContact O-CG1 3.45Å; N323-I327 PolarHBondContact O-N 2.89Å
328	G	24.1	Very low	24.5	Very low	45 Å²	45	129.9 Å²	129.9	46%	0.464	70%	0.696	S	S	.	*	S	Bend	trans	-169.5	110.3	173.2	0	0	0	0	0	106.6	H326	H326-G328 PolarHBondContact O-N 3.02Å
329	H	22.5	Very low	24.3	Very low	191 Å²	191	135.5 Å²	135.5	88%	0.884	71%	0.714	S	S	*	*			trans	89.9	85.4	-179.5	-56.6	-80.8	0	0	0	116.9
330	V	22	Very low	24	Very low	143 Å²	143	141.7 Å²	141.7	87%	0.867	73%	0.732	S	S	*	*			trans	-71	120.5	155.8	175.1	0	0	0	0	108.4
331	S	21.4	Very low	23.8	Very low	112 Å²	112	138.7 Å²	138.7	78%	0.783	73%	0.731	S	S	*	*			trans	-137.5	132.3	162.4	67.7	0	0	0	0	111.6
332	H	21.2	Very low	24.1	Very low	164 Å²	164	136.3 Å²	136.3	76%	0.759	73%	0.731	S	S	*	*			trans	-58.6	159.3	-178	-86.6	-96.4	0	0	0	115.9
333	N	20.8	Very low	24	Very low	153 Å²	153	138.7 Å²	138.7	82%	0.818	74%	0.744	S	S	*	*			trans	79.4	111.2	157.1	-64.7	-12.5	0	0	0	118.8
334	S	22.9	Very low	23.9	Very low	123 Å²	123	138.8 Å²	138.8	86%	0.86	75%	0.748	S	S	*	*				175.8	152.5	98.8	-165.6	0	0	0	0	112.3
335	S	22	Very low	23.6	Very low	95 Å²	95	142.1 Å²	142.1	66%	0.664	76%	0.755	S	S	*	*			trans	-60.7	132.9	-176.8	178.6	0	0	0	0	114.7
336	N	22.7	Very low	23.7	Very low	147 Å²	147	140.3 Å²	140.3	79%	0.786	75%	0.749	S	S	*	*			trans	160	97.5	134	-85.2	-21.1	0	0	0	110.3
337	N	23.3	Very low	23.7	Very low	161 Å²	161	137.5 Å²	137.5	86%	0.861	74%	0.739	S	S	*	*			trans	-147.1	104.6	157.4	-122.5	-14.4	0	0	0	111.2
338	K	22.9	Very low	23.8	Very low	199 Å²	199	135 Å²	135	87%	0.865	72%	0.722	S	S	*	*			trans	-81.4	130.5	173.9	-77.8	176	176.9	172.2	0	109.1
339	K	23.4	Very low	23.9	Very low	189 Å²	189	139 Å²	139	82%	0.822	73%	0.733	S	S	*	*	S	Bend	trans	58.4	82.3	155.1	-69.4	-179.9	175.9	178.6	0	116.3
340	Y	22.2	Very low	24.1	Very low	225 Å²	225	134.1 Å²	134.1	88%	0.882	72%	0.716	S	S	*	*			trans	173.7	79.4	130.5	-87.7	-67.6	0	0	0	107
341	T	22.4	Very low	24.2	Very low	102 Å²	102	134.6 Å²	134.6	63%	0.626	70%	0.703	S	S	*	*			trans	-142	117.6	176.1	54.6	0	0	0	0	104.5
342	S	31.7	Very low	24.4	Very low	85 Å²	85	132.3 Å²	132.3	59%	0.594	68%	0.682	S	S	*	*	S	Bend		-159	0.4	78.3	-64.5	0	0	0	0	116
343	N	24.9	Very low	24.5	Very low	141 Å²	141	125.9 Å²	125.9	75%	0.754	66%	0.66	S	S	*	*	H	α-helix	trans	-90.8	-18.1	-177.4	-73.7	6.6	0	0	0	114.8
344	T	24.8	Very low	24.8	Very low	106 Å²	106	125 Å²	125	65%	0.65	65%	0.651	S	S	*	*	H	α-helix	trans	-78.6	-17.3	176	31.7	0	0	0	0	113.9
345	K	23.2	Very low	25	Very low	161 Å²	161	122.9 Å²	122.9	70%	0.7	63%	0.629	S	S	*	*	H	α-helix	trans	-82.9	-28.3	178.7	-96	-176.8	174.4	-178.8	0	113.9	L347	K345-L347 VanDerWaalsContact C-N 3.34Å
346	V	27	Very low	25.2	Very low	95 Å²	95	123.3 Å²	123.3	58%	0.576	62%	0.624	S	S	*	*	H	α-helix	trans	-73.8	-31.8	178.8	-178.4	0	0	0	0	110.8	F348 N349 T350	V346-F348 VanDerWaalsContact C-N 3.28Å; V346-F348 PolarHBondContact O-N 3.2Å; V346-N349 PolarHBondContact O-N 3.19Å; V346-T350 PolarHBondContact O-OG1 3.4Å
347	L	27.1	Very low	25.2	Very low	92 Å²	92	122.6 Å²	122.6	48%	0.482	62%	0.62	S	S	.	*	H	α-helix	trans	-65.2	-23.8	-172.8	-142.9	137.8	0	0	0	114.4	K345 L480	K345-L347 VanDerWaalsContact C-N 3.34Å; L347-L480 HydrophobicContact CD1-CD2 3.39Å; L347-L480 HydrophobicContact CG-CD2 4.08Å
348	F	27.5	Very low	25.4	Very low	107 Å²	107	120.5 Å²	120.5	47%	0.469	61%	0.614	S	S	.	*	H	α-helix	trans	-95.6	-22.8	-178	-99.6	-83.6	0	0	0	114.7	H316 V346 N352	H316-F348 AromaticContact NE2-CE1 3.53Å; V346-F348 VanDerWaalsContact C-N 3.28Å; V346-F348 PolarHBondContact O-N 3.2Å; F348-N352 PolarHBondContact O-ND2 3.07Å
349	N	25.6	Very low	25.5	Very low	127 Å²	127	117.3 Å²	117.3	68%	0.679	61%	0.605	S	S	*	*	H	α-helix	trans	-83.7	-31.9	-178.2	-70.1	-7.6	0	0	0	112	V346 G353	V346-N349 PolarHBondContact O-N 3.19Å; N349-G353 PolarHBondContact O-N 3.36Å
350	T	26.2	Very low	25.7	Very low	89 Å²	89	114.9 Å²	114.9	55%	0.546	60%	0.6	S	S	.	*	H	α-helix	trans	-76.4	-35.4	179.3	-33.3	0	0	0	0	112.3	V346 G353 Q354	V346-T350 PolarHBondContact O-OG1 3.4Å; T350-G353 PolarHBondContact O-N 2.98Å; T350-Q354 PolarHBondContact O-N 3.45Å
351	W	25	Very low	25.9	Very low	153 Å²	153	109.5 Å²	109.5	58%	0.58	59%	0.59	S	S	*	*	H	α-helix	trans	-69.5	-35.6	177.9	-163.1	69.4	0	0	0	112.2	I355	W351-I355 HydrophobicContact CD2-CD1 4.45Å; W351-I355 HydrophobicContact CE3-CD1 4.23Å; W351-I355 HydrophobicContact CZ3-CD1 4.27Å; W351-I355 WeakPolarHBondContact O-CG1 3.14Å
352	N	25.1	Very low	26.1	Very low	65 Å²	65	111.7 Å²	111.7	35%	0.348	60%	0.598	S	S	.	*	H	α-helix	trans	-81.8	-27.1	173.2	-72.9	-32.8	0	0	0	113.4	F348 Q354 I355 N356	F348-N352 PolarHBondContact O-ND2 3.07Å; N352-Q354 VanDerWaalsContact C-N 3.33Å; N352-Q354 PolarHBondContact O-N 2.97Å; N352-I355 PolarHBondContact O-N 2.86Å; N352-N356 PolarHBondContact O-N 3.38Å; N352-N356 VanDerWaalsContact O-N 3.1Å
353	G	23.7	Very low	26.1	Very low	29 Å²	29	117.4 Å²	117.4	30%	0.299	62%	0.615	S	S	.	*	H	α-helix	trans	-60	-42.4	173.9	0	0	0	0	0	112	N349 T350 I355 N356 D357	N349-G353 PolarHBondContact O-N 3.36Å; T350-G353 PolarHBondContact O-N 2.98Å; G353-I355 PolarHBondContact O-N 3.44Å; G353-N356 PolarHBondContact O-N 3.21Å; G353-D357 WeakPolarHBondContact O-CB 3.41Å; G353-D357 PolarHBondContact O-N 3.36Å
354	Q	26.4	Very low	26.3	Very low	133 Å²	133	120.3 Å²	120.3	62%	0.621	62%	0.622	S	S	*	*	H	α-helix	trans	-71.2	-27.5	176.1	-75.5	-175.7	-65.8	0	0	113.9	T350 N352 T358	T350-Q354 PolarHBondContact O-N 3.45Å; N352-Q354 VanDerWaalsContact C-N 3.33Å; N352-Q354 PolarHBondContact O-N 2.97Å; Q354-T358 PolarHBondContact O-N 2.81Å; Q354-T358 PolarHBondContact O-OG1 3.23Å
355	I	27.7	Very low	26.4	Very low	79 Å²	79	126.9 Å²	126.9	41%	0.405	63%	0.634	S	S	.	*	H	α-helix	trans	-71.8	-32.8	175.2	-66	172.9	0	0	0	111	W351 N352 G353 L359	W351-I355 HydrophobicContact CD2-CD1 4.45Å; W351-I355 HydrophobicContact CE3-CD1 4.23Å; W351-I355 HydrophobicContact CZ3-CD1 4.27Å; W351-I355 WeakPolarHBondContact O-CG1 3.14Å; N352-I355 PolarHBondContact O-N 2.86Å; G353-I355 PolarHBondContact O-N 3.44Å; I355-L359 WeakPolarHBondContact O-CD1 3.48Å
356	N	26	Very low	26.6	Very low	105 Å²	105	130.3 Å²	130.3	56%	0.561	64%	0.643	S	S	*	*	H	α-helix	trans	-87.4	-35.1	178	-75.9	-12.8	0	0	0	113.6	N352 G353 T358 L359	N352-N356 PolarHBondContact O-N 3.38Å; N352-N356 VanDerWaalsContact O-N 3.1Å; G353-N356 PolarHBondContact O-N 3.21Å; N356-T358 PolarHBondContact O-N 3.21Å; N356-L359 WeakPolarHBondContact O-CB 3.39Å; N356-L359 PolarHBondContact O-N 2.81Å
357	D	24.1	Very low	26.5	Very low	131 Å²	131	131.3 Å²	131.3	70%	0.701	65%	0.651	S	S	*	*	H	α-helix	trans	-70	-21.2	178.2	-75.8	-18.4	0	0	0	112.5	G353 L359	G353-D357 WeakPolarHBondContact O-CB 3.41Å; G353-D357 PolarHBondContact O-N 3.36Å; D357-L359 VanDerWaalsContact C-N 3.34Å
358	T	25.9	Very low	26.4	Very low	118 Å²	118	133.4 Å²	133.4	72%	0.724	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-8.5	170.2	37	0	0	0	0	114.1	Q354 N356	Q354-T358 PolarHBondContact O-N 2.81Å; Q354-T358 PolarHBondContact O-OG1 3.23Å; N356-T358 PolarHBondContact O-N 3.21Å
359	L	26.4	Very low	26.2	Very low	132 Å²	132	134.9 Å²	134.9	69%	0.691	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-14.8	175.4	-87.5	159.8	0	0	0	113.5	I355 N356 D357	I355-L359 WeakPolarHBondContact O-CD1 3.48Å; N356-L359 WeakPolarHBondContact O-CB 3.39Å; N356-L359 PolarHBondContact O-N 2.81Å; D357-L359 VanDerWaalsContact C-N 3.34Å
360	I	27.2	Very low	26.2	Very low	138 Å²	138	136.5 Å²	136.5	71%	0.708	67%	0.674	S	S	*	*	S	Bend	trans	-131.8	75.7	179.9	-47.9	-176.7	0	0	0	110.4
361	T	26	Very low	26.3	Very low	111 Å²	111	136.1 Å²	136.1	68%	0.681	67%	0.671	S	S	*	*	S	Bend	trans	159.9	137.2	133.3	41.9	0	0	0	0	110.3
362	N	26.6	Very low	26.5	Very low	149 Å²	149	133.7 Å²	133.7	80%	0.797	67%	0.67	S	S	*	*			trans	90.7	89.7	168.7	-52.9	-38.7	0	0	0	117.4	K364	N362-K364 PolarHBondContact O-N 3.21Å
363	Q	31.5	Very low	26.8	Very low	204 Å²	204	136.6 Å²	136.6	95%	0.953	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	37	176.1	-67	175.6	-42.4	0	0	117.4
364	K	29.7	Very low	27.3	Very low	203 Å²	203	142.7 Å²	142.7	88%	0.883	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.1	22.9	-179.7	-80.9	-167.4	-179.8	175.1	0	118	N362	N362-K364 PolarHBondContact O-N 3.21Å
365	R	26.9	Very low	28.5	Very low	243 Å²	243	139.2 Å²	139.2	92%	0.917	69%	0.688	S	S	*	*	S	Bend	trans	-117.5	129.6	167	-69.2	-171.3	-178.3	-169.1	2.2	111.1
366	R	26.7	Very low	30.4	Very low	233 Å²	233	136.8 Å²	136.8	88%	0.879	68%	0.678	S	S	*	*			trans	-52.2	142	178.8	-79.1	-179.8	174.8	174.8	-0.1	109.5	I368	R366-I368 PolarHBondContact O-N 3.11Å
367	P	24.5	Very low	32.8	Very low	116 Å²	116	137 Å²	137	75%	0.753	69%	0.685	S	S	*	*			trans	-57.2	123.3	175.3	-14.4	26	0	0	0	108.6	Q369	P367-Q369 PolarHBondContact O-N 3Å
368	I	25.1	Very low	35.6	Very low	136 Å²	136	132.9 Å²	132.9	70%	0.697	67%	0.665	S	S	*	*			trans	-59.2	111.4	164.3	-65	164.9	0	0	0	104.8	R366 Q370	R366-I368 PolarHBondContact O-N 3.11Å; I368-Q370 PolarHBondContact O-N 3.49Å
369	Q	23.7	Very low	38.5	Very low	138 Å²	138	130.6 Å²	130.6	65%	0.645	65%	0.646	S	S	*	*			trans	-66.4	133.6	176.3	-72.1	-176	23	0	0	106.8	P367 T371 D372	P367-Q369 PolarHBondContact O-N 3Å; Q369-T371 PolarHBondContact O-N 2.72Å; Q369-D372 PolarHBondContact O-N 3.24Å; Q369-D372 VanDerWaalsContact O-N 3.08Å
370	Q	25.7	Very low	41.3	Very low	162 Å²	162	127.5 Å²	127.5	76%	0.757	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.6	-7.1	-178.6	-155.2	168.7	16.4	0	0	113.9	I368 F374	I368-Q370 PolarHBondContact O-N 3.49Å; Q370-F374 VanDerWaalsContact O-CD2 3.26Å; Q370-F374 WeakPolarHBondContact O-CD2 3.49Å; Q370-F374 WeakPolarHBondContact O-CE2 3.25Å
371	T	28.9	Very low	44.1	Very low	80 Å²	80	123.4 Å²	123.4	49%	0.491	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.8	-31.2	177	51	0	0	0	0	113.9	Q369 I373 F374	Q369-T371 PolarHBondContact O-N 2.72Å; T371-I373 PolarHBondContact O-N 2.59Å; T371-F374 PolarHBondContact O-N 2.86Å
372	D	29.4	Very low	47.2	Very low	103 Å²	103	119 Å²	119	55%	0.551	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-17.8	-171.1	-61.6	-15.4	0	0	0	112.9	Q369 F374	Q369-D372 PolarHBondContact O-N 3.24Å; Q369-D372 VanDerWaalsContact O-N 3.08Å; D372-F374 VanDerWaalsContact C-N 3.35Å
373	I	31.6	Very low	50.3	Low	126 Å²	126	115.1 Å²	115.1	65%	0.646	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-19	-178.6	-62.6	170.4	0	0	0	111.7	T371	T371-I373 PolarHBondContact O-N 2.59Å
374	F	33.9	Very low	53.1	Low	156 Å²	156	107.1 Å²	107.1	68%	0.684	52%	0.519	S	S	*	.	S	Bend	trans	-108.5	-1.9	-170.1	-66.2	-71.8	0	0	0	115.5	Q370 T371 D372 S376	Q370-F374 VanDerWaalsContact O-CD2 3.26Å; Q370-F374 WeakPolarHBondContact O-CD2 3.49Å; Q370-F374 WeakPolarHBondContact O-CE2 3.25Å; T371-F374 PolarHBondContact O-N 2.86Å; D372-F374 VanDerWaalsContact C-N 3.35Å; F374-S376 PolarHBondContact O-N 3.07Å
375	N	51.3	Low	56.1	Low	60 Å²	60	97.9 Å²	97.9	32%	0.321	48%	0.479	S	S	.	.			trans	-69.4	119	176.6	-70.8	-2.2	0	0	0	109.5	E379 Q380	N375-E379 VanDerWaalsContact CA-OE2 3.28Å; N375-E379 WeakPolarHBondContact CA-OE2 3.44Å; N375-E379 HydrophobicContact CB-CB 4.29Å; N375-Q380 HydrophobicContact CB-CG 4.02Å; N375-Q380 PolarHBondContact O-NE2 3.05Å
376	S	68.4	Low	59.2	Low	28 Å²	28	87.9 Å²	87.9	20%	0.196	44%	0.443	C	S	.	.			trans	-57.5	155.1	175.5	66.2	0	0	0	0	110.9	F374 T378 E379 Q380	F374-S376 PolarHBondContact O-N 3.07Å; S376-T378 PolarHBondContact O-N 2.79Å; S376-T378 VanDerWaalsContact O-N 3.11Å; S376-E379 PolarHBondContact N-OE2 2.92Å; S376-E379 PolarHBondContact O-N 3.05Å; S376-E379 WeakPolarHBondContact OG-CG 3.5Å; S376-E379 PolarHBondContact OG-N 2.84Å; S376-E379 PolarHBondContact OG-OE2 3.49Å; S376-Q380 PolarHBondContact O-N 2.61Å
377	P	76.2	Confident	62.3	Low	110 Å²	110	77.6 Å²	77.6	71%	0.714	41%	0.407	S	S	*	.	H	α-helix	trans	-52	-34.7	174.6	-28.3	35.7	0	0	0	113.3	L381	P377-L381 WeakPolarHBondContact O-CB 2.94Å; P377-L381 PolarHBondContact O-N 3.28Å
378	T	83.2	Confident	65.4	Low	45 Å²	45	72.7 Å²	72.7	28%	0.276	38%	0.377	S	S	.	.	H	α-helix	trans	-65.8	-45.5	175.1	-52.1	0	0	0	0	112.4	V136 S376 Q380 L381 I382	V136-T378 HydrophobicContact CG1-CG2 3.9Å; S376-T378 PolarHBondContact O-N 2.79Å; S376-T378 VanDerWaalsContact O-N 3.11Å; T378-Q380 VanDerWaalsContact C-N 3.33Å; T378-Q380 PolarHBondContact O-N 3.06Å; T378-L381 PolarHBondContact O-N 3.48Å; T378-I382 HydrophobicContact CG2-CD1 4.07Å; T378-I382 VanDerWaalsContact O-CG1 3.31Å; T378-I382 WeakPolarHBondContact O-CG1 3.48Å; T378-I382 PolarHBondContact O-N 2.89Å
379	E	85.3	Confident	68.3	Low	70 Å²	70	68.6 Å²	68.6	33%	0.327	36%	0.357	S	S	.	.	H	α-helix	trans	-63.4	-40.4	178.2	-75.8	163.6	163.2	0	0	111.5	N375 S376 I382 E383	N375-E379 VanDerWaalsContact CA-OE2 3.28Å; N375-E379 WeakPolarHBondContact CA-OE2 3.44Å; N375-E379 HydrophobicContact CB-CB 4.29Å; S376-E379 PolarHBondContact N-OE2 2.92Å; S376-E379 PolarHBondContact O-N 3.05Å; S376-E379 WeakPolarHBondContact OG-CG 3.5Å; S376-E379 PolarHBondContact OG-N 2.84Å; S376-E379 PolarHBondContact OG-OE2 3.49Å; E379-I382 PolarHBondContact O-N 3.42Å; E379-E383 PolarHBondContact O-N 3.28Å
380	Q	84.7	Confident	71	Confident	67 Å²	67	62.6 Å²	62.6	31%	0.313	33%	0.329	S	S	.	.	H	α-helix	trans	-60.9	-46.3	173.2	-65.7	179.2	40.3	0	0	110.5	N375 S376 T378 I382 E383 H384	N375-Q380 HydrophobicContact CB-CG 4.02Å; N375-Q380 PolarHBondContact O-NE2 3.05Å; S376-Q380 PolarHBondContact O-N 2.61Å; T378-Q380 VanDerWaalsContact C-N 3.33Å; T378-Q380 PolarHBondContact O-N 3.06Å; Q380-I382 VanDerWaalsContact C-N 3.34Å; Q380-I382 PolarHBondContact O-N 3.43Å; Q380-E383 WeakPolarHBondContact O-CB 3.08Å; Q380-E383 PolarHBondContact O-N 3.01Å; Q380-H384 PolarHBondContact O-N 3.17Å; Q380-H384 PolarHBondContact O-ND1 3.22Å
381	L	87.9	Confident	73.1	Confident	51 Å²	51	58.9 Å²	58.9	27%	0.267	31%	0.314	S	S	.	.	H	α-helix	trans	-61.6	-40.3	178.1	179	61.6	0	0	0	112.5	L134 P377 T378 E383 H384 Y385 L390 T393	L134-L381 HydrophobicContact CD1-CD1 4.42Å; L134-L381 HydrophobicContact CD1-CD2 3.57Å; L134-L381 HydrophobicContact CD1-CG 3.83Å; L134-L381 HydrophobicContact CD2-CG 4.21Å; P377-L381 WeakPolarHBondContact O-CB 2.94Å; P377-L381 PolarHBondContact O-N 3.28Å; T378-L381 PolarHBondContact O-N 3.48Å; L381-E383 VanDerWaalsContact C-N 3.35Å; L381-H384 PolarHBondContact O-N 3.16Å; L381-Y385 WeakPolarHBondContact O-CB 3.24Å; L381-Y385 PolarHBondContact O-N 3Å; L381-L390 HydrophobicContact CD1-CD2 3.58Å; L381-T393 HydrophobicContact CD1-CG2 3.78Å
382	I	91.1	Very high	74.7	Confident	20 Å²	20	59.9 Å²	59.9	10%	0.103	31%	0.313	C	S	.	.	H	α-helix	trans	-59.9	-45.2	173.9	-71.6	166.5	0	0	0	110.6	L134 V136 H140 V141 T378 E379 Q380 Y385 N386	L134-I382 HydrophobicContact CD2-CG1 4.07Å; V136-I382 HydrophobicContact CB-CD1 4.27Å; V136-I382 HydrophobicContact CB-CG1 4.39Å; V136-I382 HydrophobicContact CG1-CD1 4.06Å; V136-I382 HydrophobicContact CG1-CG1 4.01Å; V136-I382 HydrophobicContact CG2-CD1 4.44Å; V136-I382 HydrophobicContact CG2-CG1 4.17Å; H140-I382 HydrophobicContact CB-CD1 4.06Å; H140-I382 HydrophobicContact CB-CG2 4.04Å; V141-I382 HydrophobicContact CG1-CG2 4.41Å; T378-I382 HydrophobicContact CG2-CD1 4.07Å; T378-I382 VanDerWaalsContact O-CG1 3.31Å; T378-I382 WeakPolarHBondContact O-CG1 3.48Å; T378-I382 PolarHBondContact O-N 2.89Å; E379-I382 PolarHBondContact O-N 3.42Å; Q380-I382 VanDerWaalsContact C-N 3.34Å; Q380-I382 PolarHBondContact O-N 3.43Å; I382-Y385 PolarHBondContact O-N 2.88Å; I382-N386 VanDerWaalsContact O-CB 3.26Å; I382-N386 WeakPolarHBondContact O-CB 3.35Å; I382-N386 VanDerWaalsContact O-CG 3.28Å; I382-N386 PolarHBondContact O-N 3.45Å; I382-N386 PolarHBondContact O-ND2 3.13Å
383	E	90.5	Very high	76	Confident	67 Å²	67	56.4 Å²	56.4	31%	0.313	30%	0.296	S	S	.	.	H	α-helix	trans	-60.3	-48.9	178.5	-174.6	177.2	-175.5	0	0	111.5	E379 Q380 L381 Y385 N386 C387	E379-E383 PolarHBondContact O-N 3.28Å; Q380-E383 WeakPolarHBondContact O-CB 3.08Å; Q380-E383 PolarHBondContact O-N 3.01Å; L381-E383 VanDerWaalsContact C-N 3.35Å; E383-Y385 PolarHBondContact O-N 2.59Å; E383-N386 PolarHBondContact O-N 3.06Å; E383-C387 WeakPolarHBondContact O-CB 3.42Å; E383-C387 PolarHBondContact O-N 3.04Å; E383-C387 PolarHBondContact O-SG 3.21Å
384	H	89.9	Confident	77.2	Confident	35 Å²	35	51.3 Å²	51.3	16%	0.162	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-42.5	178.5	-73.1	85.8	0	0	0	112.3	Q380 L381 C387 G388 D389 L390 E392 T393	Q380-H384 PolarHBondContact O-N 3.17Å; Q380-H384 PolarHBondContact O-ND1 3.22Å; L381-H384 PolarHBondContact O-N 3.16Å; H384-C387 PolarHBondContact O-N 3.24Å; H384-G388 PolarHBondContact O-N 3.21Å; H384-D389 WeakPolarHBondContact CB-O 3.42Å; H384-D389 CarbonylContact O-C 3.6Å; H384-D389 PolarHBondContact O-N 3.32Å; H384-D389 VanDerWaalsContact O-N 3.08Å; H384-L390 HydrophobicContact CB-CD2 4.19Å; H384-E392 IonicContact NE2-OE2 3.19Å; H384-T393 WeakPolarHBondContact CB-OG1 3.49Å
385	Y	92.7	Very high	77.9	Confident	10 Å²	10	47.8 Å²	47.8	4%	0.039	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-49.7	174.8	-176.3	-91.8	0	0	0	111.5	F118 F131 G132 L134 V141 L381 I382 E383 C387 G388 L390 A532	F118-Y385 HydrophobicContact CD2-CD2 4.05Å; F118-Y385 AromaticContact CD2-CE2 3.63Å; F118-Y385 HydrophobicContact CD2-CE2 3.63Å; F118-Y385 AromaticContact CE2-CD2 3.77Å; F118-Y385 HydrophobicContact CE2-CD2 3.77Å; F118-Y385 AromaticContact CE2-CE2 3.86Å; F118-Y385 HydrophobicContact CE2-CE2 3.86Å; F118-Y385 HydrophobicContact CE2-CG 4.27Å; F118-Y385 WeakPolarHBondContact CE2-O 3.23Å; F118-Y385 HydrophobicContact CG-CE2 4.14Å; F118-Y385 HydrophobicContact CZ-CD2 4.25Å; F131-Y385 WeakPolarHBondContact CZ-OH 3.47Å; G132-Y385 WeakPolarHBondContact O-CE2 3.39Å; G132-Y385 PolarHBondContact O-OH 3.33Å; L134-Y385 HydrophobicContact CB-CD2 4.03Å; L134-Y385 HydrophobicContact CB-CE2 4.08Å; L134-Y385 HydrophobicContact CB-CG 4.26Å; L134-Y385 HydrophobicContact CD2-CD1 4.49Å; L134-Y385 HydrophobicContact CD2-CD2 4.45Å; L134-Y385 HydrophobicContact CD2-CG 4.05Å; V141-Y385 HydrophobicContact CB-CD1 4.16Å; V141-Y385 HydrophobicContact CB-CE1 4.06Å; V141-Y385 HydrophobicContact CG1-CD1 3.8Å; V141-Y385 HydrophobicContact CG1-CE1 4.15Å; L381-Y385 WeakPolarHBondContact O-CB 3.24Å; L381-Y385 PolarHBondContact O-N 3Å; I382-Y385 PolarHBondContact O-N 2.88Å; E383-Y385 PolarHBondContact O-N 2.59Å; Y385-C387 PolarHBondContact O-N 2.94Å; Y385-G388 PolarHBondContact O-N 2.97Å; Y385-L390 HydrophobicContact CD2-CD1 4.18Å; Y385-A532 HydrophobicContact CE2-CB 4.31Å
386	N	93.5	Very high	77.5	Confident	33 Å²	33	50.6 Å²	50.6	18%	0.176	27%	0.267	C	S	.	.	H	α-helix	trans	-62.8	-23.2	177.5	-78.2	-18.7	0	0	0	113	H140 V141 Q144 I382 E383 G388	H140-N386 PolarHBondContact O-ND2 3.04Å; V141-N386 WeakPolarHBondContact CA-OD1 3.38Å; Q144-N386 HydrophobicContact CB-CB 4.11Å; Q144-N386 WeakPolarHBondContact CB-OD1 3.48Å; Q144-N386 HydrophobicContact CG-CB 3.97Å; I382-N386 VanDerWaalsContact O-CB 3.26Å; I382-N386 WeakPolarHBondContact O-CB 3.35Å; I382-N386 VanDerWaalsContact O-CG 3.28Å; I382-N386 PolarHBondContact O-N 3.45Å; I382-N386 PolarHBondContact O-ND2 3.13Å; E383-N386 PolarHBondContact O-N 3.06Å; N386-G388 VanDerWaalsContact C-N 3.34Å
387	C	90.9	Very high	76	Confident	17 Å²	17	53.1 Å²	53.1	12%	0.115	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-4.5	174	-70	0	0	0	0	114.5	C107 E383 H384 Y385 D389	C107-C387 WeakPolarHBondContact CA-SG 3.49Å; C107-C387 HydrophobicContact CB-CB 3.75Å; C107-C387 WeakPolarHBondContact CB-SG 3.44Å; C107-C387 WeakPolarHBondContact SG-CA 3.4Å; C107-C387 WeakPolarHBondContact SG-CB 3.46Å; C107-C387 CovalentContact SG-SG 2.04Å; C107-C387 PolarHBondContact SG-SG 3.23Å; E383-C387 WeakPolarHBondContact O-CB 3.42Å; E383-C387 PolarHBondContact O-N 3.04Å; E383-C387 PolarHBondContact O-SG 3.21Å; H384-C387 PolarHBondContact O-N 3.24Å; Y385-C387 PolarHBondContact O-N 2.94Å; C387-D389 VanDerWaalsContact C-N 3.26Å
388	G	89.1	Confident	74	Confident	12 Å²	12	49.9 Å²	49.9	12%	0.124	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	24.8	-178.5	0	0	0	0	0	112.8	N116 H384 Y385 N386	N116-G388 VanDerWaalsContact CB-O 3.23Å; N116-G388 WeakPolarHBondContact CB-O 3.21Å; N116-G388 PolarHBondContact N-O 3.12Å; N116-G388 VanDerWaalsContact N-O 3.08Å; N116-G388 VanDerWaalsContact O-CA 3.31Å; N116-G388 WeakPolarHBondContact O-CA 3.42Å; H384-G388 PolarHBondContact O-N 3.21Å; Y385-G388 PolarHBondContact O-N 2.97Å; N386-G388 VanDerWaalsContact C-N 3.34Å
389	D	86.2	Confident	71.4	Confident	51 Å²	51	52.2 Å²	52.2	27%	0.273	27%	0.267	S	S	.	.			trans	-140.9	92.8	-178.7	-167.9	0.4	0	0	0	111.3	H384 C387 N391	H384-D389 WeakPolarHBondContact CB-O 3.42Å; H384-D389 CarbonylContact O-C 3.6Å; H384-D389 PolarHBondContact O-N 3.32Å; H384-D389 VanDerWaalsContact O-N 3.08Å; C387-D389 VanDerWaalsContact C-N 3.26Å; D389-N391 VanDerWaalsContact C-N 3.34Å; D389-N391 VanDerWaalsContact OD1-CB 3.23Å; D389-N391 WeakPolarHBondContact OD1-CB 3.38Å; D389-N391 PolarHBondContact OD1-N 3.22Å
390	L	81.2	Confident	68.5	Low	11 Å²	11	51.8 Å²	51.8	6%	0.058	27%	0.269	C	S	.	.			trans	-88.9	1.9	169.9	-70.4	178.4	0	0	0	112.6	F118 L381 H384 Y385 E392 T393 L394 A532 I536	F118-L390 HydrophobicContact CD1-CD1 4.43Å; F118-L390 HydrophobicContact CE1-CB 4.27Å; F118-L390 HydrophobicContact CE1-CD1 3.66Å; F118-L390 HydrophobicContact CE1-CG 3.84Å; F118-L390 HydrophobicContact CZ-CB 4.36Å; F118-L390 HydrophobicContact CZ-CD1 3.88Å; F118-L390 HydrophobicContact CZ-CG 3.67Å; L381-L390 HydrophobicContact CD1-CD2 3.58Å; H384-L390 HydrophobicContact CB-CD2 4.19Å; Y385-L390 HydrophobicContact CD2-CD1 4.18Å; L390-E392 VanDerWaalsContact C-N 3.33Å; L390-E392 PolarHBondContact O-N 3.1Å; L390-T393 PolarHBondContact O-N 3.09Å; L390-L394 HydrophobicContact CB-CD1 3.8Å; L390-L394 HydrophobicContact CB-CG 4.29Å; L390-L394 VanDerWaalsContact O-CB 3.3Å; L390-L394 WeakPolarHBondContact O-CB 3.2Å; L390-L394 WeakPolarHBondContact O-CG 3.34Å; L390-L394 PolarHBondContact O-N 3.48Å; L390-A532 HydrophobicContact CD1-CB 3.71Å; L390-I536 HydrophobicContact CB-CD1 3.99Å; L390-I536 HydrophobicContact CD1-CD1 3.67Å; L390-I536 HydrophobicContact CG-CD1 4.41Å
391	N	70.3	Confident	65.7	Low	84 Å²	84	55.1 Å²	55.1	45%	0.449	29%	0.285	S	S	.	.	H	α-helix	trans	-65.5	-38	-177.6	-72.7	-34.2	0	0	0	111.3	D389 T393 L394 T395	D389-N391 VanDerWaalsContact C-N 3.34Å; D389-N391 VanDerWaalsContact OD1-CB 3.23Å; D389-N391 WeakPolarHBondContact OD1-CB 3.38Å; D389-N391 PolarHBondContact OD1-N 3.22Å; N391-T393 VanDerWaalsContact C-N 3.3Å; N391-T393 PolarHBondContact O-N 2.87Å; N391-L394 PolarHBondContact O-N 2.89Å; N391-T395 WeakPolarHBondContact O-CA 3.37Å; N391-T395 WeakPolarHBondContact O-CB 3.34Å; N391-T395 PolarHBondContact O-N 3.03Å; N391-T395 PolarHBondContact O-OG1 2.87Å
392	E	61	Low	62.5	Low	102 Å²	102	59.5 Å²	59.5	48%	0.477	31%	0.314	S	S	.	.	H	α-helix	trans	-63.9	-39	177.1	-171.7	171.5	171	0	0	111.3	H384 L390 R396	H384-E392 IonicContact NE2-OE2 3.19Å; L390-E392 VanDerWaalsContact C-N 3.33Å; L390-E392 PolarHBondContact O-N 3.1Å; E392-R396 WeakPolarHBondContact O-CG 3.42Å; E392-R396 IonicContact OE1-NH2 3.12Å
393	T	57.4	Low	59.3	Low	29 Å²	29	64 Å²	64	18%	0.178	34%	0.343	C	S	.	.	H	α-helix	trans	-71.7	-42.1	178.4	-37	0	0	0	0	112.3	L381 H384 L390 N391	L381-T393 HydrophobicContact CD1-CG2 3.78Å; H384-T393 WeakPolarHBondContact CB-OG1 3.49Å; L390-T393 PolarHBondContact O-N 3.09Å; N391-T393 VanDerWaalsContact C-N 3.3Å; N391-T393 PolarHBondContact O-N 2.87Å
394	L	57.1	Low	56.3	Low	19 Å²	19	67.2 Å²	67.2	10%	0.099	37%	0.369	C	S	.	.	H	α-helix	trans	-82.2	-26.8	-178.7	-68.7	166.8	0	0	0	113.4	L390 N391 R396 M397 S398 I536	L390-L394 HydrophobicContact CB-CD1 3.8Å; L390-L394 HydrophobicContact CB-CG 4.29Å; L390-L394 VanDerWaalsContact O-CB 3.3Å; L390-L394 WeakPolarHBondContact O-CB 3.2Å; L390-L394 WeakPolarHBondContact O-CG 3.34Å; L390-L394 PolarHBondContact O-N 3.48Å; N391-L394 PolarHBondContact O-N 2.89Å; L394-R396 PolarHBondContact O-N 3.08Å; L394-M397 HydrophobicContact CD2-CE 4.31Å; L394-M397 HydrophobicContact CD2-SD 3.76Å; L394-M397 CarbonylContact O-C 3.59Å; L394-M397 WeakPolarHBondContact O-CA 3.06Å; L394-M397 WeakPolarHBondContact O-CB 3.24Å; L394-M397 PolarHBondContact O-N 3.49Å; L394-S398 WeakPolarHBondContact O-CB 3.28Å; L394-S398 PolarHBondContact O-N 3.39Å; L394-I536 HydrophobicContact CD1-CB 3.44Å; L394-I536 VanDerWaalsContact CD1-CB 3.44Å; L394-I536 HydrophobicContact CD1-CD1 3.66Å; L394-I536 HydrophobicContact CD1-CG1 4.16Å; L394-I536 HydrophobicContact CD1-CG2 3.25Å
395	T	47.3	Very low	53.1	Low	83 Å²	83	70 Å²	70	51%	0.509	39%	0.392	S	S	.	.	H	α-helix	trans	-64.8	-27.2	171.6	-60.5	0	0	0	0	110.5	N391 M397	N391-T395 WeakPolarHBondContact O-CA 3.37Å; N391-T395 WeakPolarHBondContact O-CB 3.34Å; N391-T395 PolarHBondContact O-N 3.03Å; N391-T395 PolarHBondContact O-OG1 2.87Å; T395-M397 VanDerWaalsContact C-N 3.29Å
396	R	44.1	Very low	49.7	Very low	118 Å²	118	76.9 Å²	76.9	45%	0.445	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-25.7	167.7	-61.1	-179.9	-173.9	-173.9	5.6	112.4	E392 L394 F472	E392-R396 WeakPolarHBondContact O-CG 3.42Å; E392-R396 IonicContact OE1-NH2 3.12Å; L394-R396 PolarHBondContact O-N 3.08Å; R396-F472 HydrophobicContact CB-CD2 3.67Å; R396-F472 HydrophobicContact CB-CE1 4.25Å; R396-F472 HydrophobicContact CB-CE2 3.04Å; R396-F472 HydrophobicContact CB-CG 4.49Å; R396-F472 HydrophobicContact CB-CZ 3.38Å; R396-F472 HydrophobicContact CG-CE2 4.23Å; R396-F472 HydrophobicContact CG-CZ 4.12Å; R396-F472 WeakPolarHBondContact O-CD2 3.48Å
397	M	37.4	Very low	46.5	Very low	82 Å²	82	81.1 Å²	81.1	40%	0.404	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-25.8	-179.4	-61.3	172.4	62.5	0	0	115.3	L394 T395 F472	L394-M397 HydrophobicContact CD2-CE 4.31Å; L394-M397 HydrophobicContact CD2-SD 3.76Å; L394-M397 CarbonylContact O-C 3.59Å; L394-M397 WeakPolarHBondContact O-CA 3.06Å; L394-M397 WeakPolarHBondContact O-CB 3.24Å; L394-M397 PolarHBondContact O-N 3.49Å; T395-M397 VanDerWaalsContact C-N 3.29Å; M397-F472 HydrophobicContact CG-CD2 3.93Å; M397-F472 HydrophobicContact CG-CE2 3.82Å
398	S	33.4	Very low	43.3	Very low	41 Å²	41	84.8 Å²	84.8	29%	0.287	49%	0.494	S	S	.	.			trans	-122.4	31	-163.3	-65.2	0	0	0	0	115.5	L394 T400	L394-S398 WeakPolarHBondContact O-CB 3.28Å; L394-S398 PolarHBondContact O-N 3.39Å; S398-T400 PolarHBondContact O-N 2.82Å
399	L	27.8	Very low	40	Very low	95 Å²	95	91.9 Å²	91.9	50%	0.497	53%	0.528	S	S	.	.			trans	-70.4	70.3	164.1	-77.2	166.3	0	0	0	110.4
400	T	25.6	Very low	37	Very low	60 Å²	60	97 Å²	97	37%	0.368	56%	0.555	S	S	.	*			trans	-135.6	140.9	168.8	60	0	0	0	0	109.7	S398	S398-T400 PolarHBondContact O-N 2.82Å
401	Q	25.6	Very low	34.2	Very low	138 Å²	138	100.6 Å²	100.6	65%	0.645	58%	0.58	S	S	*	*			trans	78.9	85.3	165.6	-47	-171.7	19	0	0	118.1
402	T	21.6	Very low	31.8	Very low	142 Å²	142	102.9 Å²	102.9	87%	0.871	60%	0.598	S	S	*	*			trans	-97.9	114.4	142.1	53.4	0	0	0	0	108.3
403	T	23.2	Very low	30	Very low	116 Å²	116	103.1 Å²	103.1	71%	0.712	61%	0.611	S	S	*	*			trans	-72.7	136.8	172.7	42.6	0	0	0	0	110.7	S405	T403-S405 PolarHBondContact O-N 3.28Å
404	P	26.8	Very low	28.3	Very low	133 Å²	133	107.1 Å²	107.1	86%	0.864	64%	0.64	S	S	*	*			trans	-89.2	104.8	178.1	31.7	-27.1	0	0	0	110
405	S	22.6	Very low	26.7	Very low	93 Å²	93	113.3 Å²	113.3	65%	0.65	67%	0.672	S	S	*	*			trans	-136.7	123.4	163.2	57.8	0	0	0	0	109.9	T403	T403-S405 PolarHBondContact O-N 3.28Å
406	D	22.3	Very low	25.5	Very low	155 Å²	155	115.4 Å²	115.4	83%	0.829	68%	0.681	S	S	*	*			trans	66	96.4	161	-54.2	-22.9	0	0	0	117.7
407	S	26.4	Very low	24.3	Very low	123 Å²	123	117.6 Å²	117.6	86%	0.86	70%	0.696	S	S	*	*				-176.4	84.9	125.4	-73.5	0	0	0	0	109.8
408	A	22.5	Very low	23.7	Very low	93 Å²	93	121.1 Å²	121.1	77%	0.769	71%	0.714	S	S	*	*			trans	-65.8	149.9	144.7	0	0	0	0	0	108.7
409	L	21.3	Very low	23	Very low	162 Å²	162	124 Å²	124	85%	0.848	73%	0.73	S	S	*	*			trans	104.4	118.1	167.7	-60.1	165.5	0	0	0	117.1
410	L	23.1	Very low	22.6	Very low	158 Å²	158	125.1 Å²	125.1	83%	0.827	74%	0.741	S	S	*	*			trans	118.9	86.6	147.3	-61.3	172.5	0	0	0	112.8
411	S	21.8	Very low	22.4	Very low	86 Å²	86	131.1 Å²	131.1	60%	0.601	76%	0.762	S	S	*	*				79.8	105.4	76.4	67.3	0	0	0	0	114.6
412	T	20	Very low	22.3	Very low	132 Å²	132	131 Å²	131	81%	0.81	77%	0.766	S	S	*	*			trans	47.4	113.4	131.9	61.8	0	0	0	0	120.4
413	S	22.3	Very low	22.2	Very low	108 Å²	108	132.6 Å²	132.6	76%	0.755	76%	0.763	S	S	*	*			trans	-176.5	108.3	130.1	39	0	0	0	0	107.9
414	S	21.8	Very low	22.1	Very low	113 Å²	113	133.1 Å²	133.1	79%	0.79	77%	0.767	S	S	*	*				88.9	103.7	92.6	-61.6	0	0	0	0	112.7
415	L	23.6	Very low	21.8	Very low	148 Å²	148	133.9 Å²	133.9	78%	0.775	76%	0.764	S	S	*	*			trans	169.2	99.4	135.3	-122.6	53.2	0	0	0	107.5
416	D	21.9	Very low	21.9	Very low	128 Å²	128	136.3 Å²	136.3	68%	0.684	78%	0.775	S	S	*	*				96.1	100	93.4	-78.1	-5.1	0	0	0	110.1
417	H	20.5	Very low	21.7	Very low	164 Å²	164	137.3 Å²	137.3	76%	0.759	78%	0.776	S	S	*	*				80.3	108.7	91.3	-108.5	-58.1	0	0	0	113.1
418	I	24	Very low	21.5	Very low	155 Å²	155	136.9 Å²	136.9	80%	0.795	77%	0.771	S	S	*	*			trans	175.2	91.8	141.1	-85.6	152.8	0	0	0	104.2
419	T	19.3	Very low	21.3	Very low	102 Å²	102	139 Å²	139	63%	0.626	77%	0.768	S	S	*	*				50.2	124.4	101.8	54.6	0	0	0	0	112.7
420	T	19.4	Very low	21.4	Very low	118 Å²	118	139.7 Å²	139.7	72%	0.724	77%	0.771	S	S	*	*			cis	-178.5	151.5	26	16.3	0	0	0	0	108.9
421	K	20.3	Very low	21.2	Very low	186 Å²	186	136.4 Å²	136.4	81%	0.809	76%	0.758	S	S	*	*			trans	95.1	127.9	145.7	-78.4	174.3	-179.7	-174.8	0	121.8
422	N	23.9	Very low	21.1	Very low	137 Å²	137	140.2 Å²	140.2	73%	0.733	77%	0.768	S	S	*	*			trans	86.5	89.4	157.8	-59.5	2.2	0	0	0	116
423	E	19.6	Very low	21.3	Very low	174 Å²	174	142.1 Å²	142.1	81%	0.813	77%	0.772	S	S	*	*				59.9	103.5	83.3	-71	-169.8	166.4	0	0	114
424	T	21.3	Very low	21.3	Very low	127 Å²	127	147.7 Å²	147.7	78%	0.779	78%	0.776	S	S	*	*				167.9	118.7	104.3	34.6	0	0	0	0	111.2
425	N	20.8	Very low	21.2	Very low	149 Å²	149	151.1 Å²	151.1	80%	0.797	78%	0.777	S	S	*	*			trans	25.9	114.5	141.4	-62.5	-20.4	0	0	0	119.5
426	T	23.5	Very low	21	Very low	144 Å²	144	150.8 Å²	150.8	88%	0.883	78%	0.776	S	S	*	*				-169	107.7	116.1	17.3	0	0	0	0	110.9
427	M	17.8	Very low	21.2	Very low	176 Å²	176	149.9 Å²	149.9	87%	0.867	79%	0.786	S	S	*	*			trans	-95.3	139.9	158.2	-100.2	-78.8	131.6	0	0	108
428	P	22.7	Very low	21.2	Very low	115 Å²	115	148 Å²	148	75%	0.747	79%	0.786	S	S	*	*			trans	-130	102.7	137.5	27.9	-11.6	0	0	0	111.1
429	L	18.7	Very low	21.1	Very low	136 Å²	136	144.8 Å²	144.8	71%	0.712	78%	0.783	S	S	*	*				16.9	104.3	121.6	-156.2	75.1	0	0	0	117.1	T431	L429-T431 WeakPolarHBondContact CD1-OG1 3.45Å; L429-T431 VanDerWaalsContact CG-OG1 3.26Å; L429-T431 WeakPolarHBondContact CG-OG1 3.22Å
430	I	23.6	Very low	21.2	Very low	178 Å²	178	148.9 Å²	148.9	91%	0.913	80%	0.795	S	S	*	*			trans	-115.8	109.4	141	-66.3	-178.9	0	0	0	107.4
431	T	19.4	Very low	21.5	Very low	88 Å²	88	152.7 Å²	152.7	54%	0.54	81%	0.805	S	S	.	*			trans	-99.3	132.4	-177.3	-77.1	0	0	0	0	108.8	L429	L429-T431 WeakPolarHBondContact CD1-OG1 3.45Å; L429-T431 VanDerWaalsContact CG-OG1 3.26Å; L429-T431 WeakPolarHBondContact CG-OG1 3.22Å
432	M	18.9	Very low	21.5	Very low	167 Å²	167	152.9 Å²	152.9	82%	0.823	81%	0.809	S	S	*	*			trans	62.4	110.6	147.7	-60.4	-91.2	-148.8	0	0	120.1
433	I	23.8	Very low	21.4	Very low	172 Å²	172	155.6 Å²	155.6	88%	0.882	81%	0.814	S	S	*	*			trans	-134	94.9	130.7	-59.9	-175.7	0	0	0	110.1
434	R	22.8	Very low	21.7	Very low	225 Å²	225	157.8 Å²	157.8	85%	0.849	82%	0.821	S	S	*	*			trans	32.5	106.6	131.5	-152	171.4	-166.1	157.5	1.9	121.5
435	K	18.9	Very low	21.6	Very low	185 Å²	185	156.8 Å²	156.8	80%	0.804	82%	0.819	S	S	*	*				8.5	139.3	127.1	-80.6	-177.6	177	178.4	0	121.8
436	N	20.8	Very low	21.7	Very low	140 Å²	140	156.7 Å²	156.7	75%	0.749	82%	0.818	S	S	*	*			trans	89.9	103.5	138.6	-67	1.2	0	0	0	120.2
437	A	25.2	Very low	21.5	Very low	110 Å²	110	158.7 Å²	158.7	91%	0.909	82%	0.815	S	S	*	*			trans	-139.5	100.3	136.6	0	0	0	0	0	109.2
438	T	20.4	Very low	21.9	Very low	123 Å²	123	157.4 Å²	157.4	76%	0.755	82%	0.817	S	S	*	*			trans	-74.7	150.9	171.1	21.6	0	0	0	0	112.1
439	A	21.7	Very low	21.8	Very low	89 Å²	89	158.5 Å²	158.5	74%	0.736	82%	0.816	S	S	*	*			trans	64.5	110.2	144.7	0	0	0	0	0	118.9
440	Q	22.1	Very low	21.9	Very low	188 Å²	188	158.1 Å²	158.1	88%	0.879	82%	0.815	S	S	*	*				167.9	111.2	114.8	-91.4	175.3	-5.5	0	0	109.9
441	Q	25	Very low	22	Very low	198 Å²	198	158 Å²	158	93%	0.925	81%	0.814	S	S	*	*			trans	172.3	78.5	130.5	-93	175	4.9	0	0	109.4
442	Q	21.5	Very low	22.1	Very low	190 Å²	190	158.4 Å²	158.4	89%	0.888	82%	0.821	S	S	*	*			trans	-70.3	123.9	146	-74	173.1	-18.2	0	0	107.6
443	K	21.9	Very low	22.4	Very low	193 Å²	193	159.8 Å²	159.8	84%	0.839	82%	0.822	S	S	*	*			trans	164	89.7	140.6	-93.5	172.4	-178.5	-179.1	0	109.5
444	F	24.7	Very low	22.3	Very low	221 Å²	221	161.8 Å²	161.8	97%	0.969	82%	0.819	S	S	*	*			trans	-155.4	82.2	138.1	-100.2	-73.6	0	0	0	107.7
445	S	19	Very low	22.3	Very low	105 Å²	105	159 Å²	159	73%	0.734	82%	0.815	S	S	*	*			trans	-79.7	122.3	155.4	-80.6	0	0	0	0	107.7
446	N	22.5	Very low	22.4	Very low	147 Å²	147	155.9 Å²	155.9	79%	0.786	81%	0.807	S	S	*	*				173.5	117.4	118	-89.5	-22.7	0	0	0	112.7
447	K	20.9	Very low	22.5	Very low	187 Å²	187	159.4 Å²	159.4	81%	0.813	81%	0.811	S	S	*	*				79	82.5	121.4	-148.9	178.4	-165	-179.7	0	117.9
448	V	24.8	Very low	22.3	Very low	148 Å²	148	165 Å²	165	90%	0.897	81%	0.809	S	S	*	*				-138.1	96.5	128	-177.4	0	0	0	0	107.9
449	N	20.8	Very low	22.5	Very low	138 Å²	138	165.2 Å²	165.2	74%	0.738	81%	0.81	S	S	*	*			trans	-82.2	140.4	169.2	-92.1	-12.9	0	0	0	109.9
450	N	21.6	Very low	22.6	Very low	128 Å²	128	169.5 Å²	169.5	68%	0.684	82%	0.815	S	S	*	*			trans	69.9	83.3	144.3	-62	-15.8	0	0	0	119.3
451	I	25.1	Very low	22.7	Very low	176 Å²	176	166.3 Å²	166.3	90%	0.903	81%	0.813	S	S	*	*				-118	95.3	128.8	-61.8	178.6	0	0	0	107.3
452	S	22.6	Very low	22.6	Very low	96 Å²	96	164.5 Å²	164.5	67%	0.671	81%	0.809	S	S	*	*			trans	-67.3	123.2	167.4	-74	0	0	0	0	109.6
453	K	24.3	Very low	22.8	Very low	197 Å²	197	161 Å²	161	86%	0.857	80%	0.803	S	S	*	*			trans	-158.1	92.6	138	-104.8	168.4	-166.5	-175.9	0	109.8	H455	K453-H455 PolarHBondContact O-N 3.36Å
454	R	20.7	Very low	22.9	Very low	214 Å²	214	157.8 Å²	157.8	81%	0.808	81%	0.805	S	S	*	*			trans	-58.5	105.7	172.9	-162	-177.3	-162.1	-177.5	2.6	109.9	N456	R454-N456 PolarHBondContact NE-ND2 3.18Å
455	H	24.6	Very low	23	Very low	165 Å²	165	152 Å²	152	76%	0.764	79%	0.792	S	S	*	*			trans	-108.8	84.8	156.2	-83.5	-62.4	0	0	0	108.1	K453 Y457	K453-H455 PolarHBondContact O-N 3.36Å; H455-Y457 PolarHBondContact O-N 3.49Å
456	N	21.3	Very low	23.2	Very low	120 Å²	120	156.5 Å²	156.5	64%	0.642	80%	0.801	S	S	*	*			trans	-68.2	103.7	170.3	-77.8	-15.4	0	0	0	108.8	R454 R458	R454-N456 PolarHBondContact NE-ND2 3.18Å; N456-R458 VanDerWaalsContact C-N 3.33Å; N456-R458 PolarHBondContact O-N 3.38Å; N456-R458 VanDerWaalsContact O-N 3.1Å
457	Y	22.7	Very low	23.4	Very low	214 Å²	214	154.7 Å²	154.7	84%	0.839	80%	0.8	S	S	*	*			trans	-74.2	92.4	158.9	-75.2	-83.5	0	0	0	108.1	H455 T459	H455-Y457 PolarHBondContact O-N 3.49Å; Y457-T459 PolarHBondContact O-N 3.03Å
458	R	19.5	Very low	23.7	Very low	229 Å²	229	151.6 Å²	151.6	86%	0.864	80%	0.797	S	S	*	*			trans	-85.1	90.8	168.1	-174.5	180	-172.3	175.2	2.1	107.6	N456	N456-R458 VanDerWaalsContact C-N 3.33Å; N456-R458 PolarHBondContact O-N 3.38Å; N456-R458 VanDerWaalsContact O-N 3.1Å
459	T	25.5	Very low	23.9	Very low	126 Å²	126	147.5 Å²	147.5	77%	0.773	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-90.9	119.5	165	42.1	0	0	0	0	108.8	Y457	Y457-T459 PolarHBondContact O-N 3.03Å
460	Q	23.4	Very low	24.7	Very low	179 Å²	179	144.1 Å²	144.1	84%	0.836	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-63.7	130.1	-180	-68.9	160.7	-25.7	0	0	110.4
461	S	23.7	Very low	25.8	Very low	121 Å²	121	140.7 Å²	140.7	85%	0.846	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-76.3	117.8	174.6	37.8	0	0	0	0	110.8
462	L	24.2	Very low	27.2	Very low	160 Å²	160	136.5 Å²	136.5	84%	0.838	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-91.1	153	162.6	-120.7	82.1	0	0	0	109.6
463	P	25.4	Very low	28.5	Very low	118 Å²	118	132.4 Å²	132.4	77%	0.766	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-68.2	140.5	-166.3	-16.2	29.1	0	0	0	114.3	S465	P463-S465 PolarHBondContact O-N 3.17Å
464	S	23.9	Very low	29.9	Very low	124 Å²	124	127.4 Å²	127.4	87%	0.867	67%	0.667	S	S	*	*			trans	-67.1	84.6	175.9	53.2	0	0	0	0	112.5
465	S	26.2	Very low	31.4	Very low	101 Å²	101	125.9 Å²	125.9	71%	0.706	67%	0.666	S	S	*	*			trans	-76.5	130.9	151.6	60.3	0	0	0	0	108.2	P463 S467	P463-S465 PolarHBondContact O-N 3.17Å; S465-S467 PolarHBondContact O-N 2.78Å
466	Q	23.7	Very low	32.7	Very low	199 Å²	199	124.8 Å²	124.8	93%	0.93	66%	0.662	S	S	*	*			trans	-46	92.1	176.2	-66.1	171.3	-11.8	0	0	111.3	T468	Q466-T468 PolarHBondContact O-N 2.71Å
467	S	26.8	Very low	34.5	Very low	108 Å²	108	121.8 Å²	121.8	76%	0.755	65%	0.645	S	S	*	*			trans	-83.6	107.3	179.7	57.5	0	0	0	0	108.1	S465	S465-S467 PolarHBondContact O-N 2.78Å
468	T	27.7	Very low	36.4	Very low	123 Å²	123	115.6 Å²	115.6	76%	0.755	62%	0.622	S	S	*	*			trans	-54.5	139.6	160.1	45.7	0	0	0	0	108.5	Q466 S470	Q466-T468 PolarHBondContact O-N 2.71Å; T468-S470 PolarHBondContact O-N 3.37Å; T468-S470 VanDerWaalsContact O-N 3.1Å
469	P	29	Very low	38.7	Very low	62 Å²	62	111.5 Å²	111.5	40%	0.403	62%	0.618	S	S	.	*			trans	-54	123.7	177.7	-19.6	29	0	0	0	108.7	Y471	P469-Y471 VanDerWaalsContact C-N 3.31Å; P469-Y471 HydrophobicContact CB-CD2 4.28Å; P469-Y471 HydrophobicContact CB-CE1 4.49Å; P469-Y471 HydrophobicContact CB-CE2 3.67Å; P469-Y471 HydrophobicContact CG-CE2 4.1Å; P469-Y471 WeakPolarHBondContact O-CD2 3.23Å; P469-Y471 WeakPolarHBondContact O-CE2 3.34Å; P469-Y471 PolarHBondContact O-N 2.95Å
470	S	36.8	Very low	40.9	Very low	67 Å²	67	110.7 Å²	110.7	47%	0.469	61%	0.608	S	S	.	*			trans	-80	84.5	-176.9	169.5	0	0	0	0	109	T468	T468-S470 PolarHBondContact O-N 3.37Å; T468-S470 VanDerWaalsContact O-N 3.1Å
471	Y	44.4	Very low	43.8	Very low	56 Å²	56	103.7 Å²	103.7	22%	0.22	58%	0.576	C	S	.	*			trans	-64.8	156.2	170.6	-61.6	-77	0	0	0	112.4	P469 I473 I490	P469-Y471 VanDerWaalsContact C-N 3.31Å; P469-Y471 HydrophobicContact CB-CD2 4.28Å; P469-Y471 HydrophobicContact CB-CE1 4.49Å; P469-Y471 HydrophobicContact CB-CE2 3.67Å; P469-Y471 HydrophobicContact CG-CE2 4.1Å; P469-Y471 WeakPolarHBondContact O-CD2 3.23Å; P469-Y471 WeakPolarHBondContact O-CE2 3.34Å; P469-Y471 PolarHBondContact O-N 2.95Å; Y471-I473 PolarHBondContact O-N 2.92Å; Y471-I490 HydrophobicContact CD1-CG2 4.04Å; Y471-I490 HydrophobicContact CD2-CB 4.34Å; Y471-I490 HydrophobicContact CD2-CD1 4.02Å; Y471-I490 HydrophobicContact CD2-CG1 3.96Å; Y471-I490 HydrophobicContact CD2-CG2 3.52Å; Y471-I490 HydrophobicContact CE1-CG2 4.06Å; Y471-I490 HydrophobicContact CE2-CG2 3.54Å; Y471-I490 HydrophobicContact CG-CB 4.37Å; Y471-I490 HydrophobicContact CG-CG1 4.01Å; Y471-I490 HydrophobicContact CG-CG2 3.78Å
472	F	55.3	Low	46.9	Very low	87 Å²	87	100 Å²	100	38%	0.382	55%	0.55	S	S	.	*	S	Bend	trans	-76.1	52.4	-170.4	-145.2	-52.2	0	0	0	113	R396 M397 E493	R396-F472 HydrophobicContact CB-CD2 3.67Å; R396-F472 HydrophobicContact CB-CE1 4.25Å; R396-F472 HydrophobicContact CB-CE2 3.04Å; R396-F472 HydrophobicContact CB-CG 4.49Å; R396-F472 HydrophobicContact CB-CZ 3.38Å; R396-F472 HydrophobicContact CG-CE2 4.23Å; R396-F472 HydrophobicContact CG-CZ 4.12Å; R396-F472 WeakPolarHBondContact O-CD2 3.48Å; M397-F472 HydrophobicContact CG-CD2 3.93Å; M397-F472 HydrophobicContact CG-CE2 3.82Å; F472-E493 WeakPolarHBondContact CB-OE1 3.47Å; F472-E493 PolarHBondContact N-OE1 3.42Å; F472-E493 PolarHBondContact N-OE2 3.02Å; F472-E493 VanDerWaalsContact N-OE2 3.09Å
473	I	50.1	Low	49.9	Very low	11 Å²	11	97.8 Å²	97.8	6%	0.056	55%	0.545	C	S	.	.			trans	-107.4	108.1	166.6	-54.3	174.4	0	0	0	106	Y471 K475 I477 K478 V486 L489 I490	Y471-I473 PolarHBondContact O-N 2.92Å; I473-K475 PolarHBondContact O-N 2.86Å; I473-I477 HydrophobicContact CG2-CB 3.71Å; I473-I477 HydrophobicContact CG2-CG2 3.56Å; I473-K478 HydrophobicContact CB-CG 4Å; I473-K478 HydrophobicContact CG2-CB 4.5Å; I473-K478 HydrophobicContact CG2-CG 3.49Å; I473-K478 VanDerWaalsContact CG2-CG 3.49Å; I473-K478 WeakPolarHBondContact O-CE 3.32Å; I473-V486 HydrophobicContact CD1-CB 4.26Å; I473-V486 HydrophobicContact CD1-CG1 3.56Å; I473-V486 VanDerWaalsContact CD1-O 3.31Å; I473-V486 WeakPolarHBondContact CD1-O 3.44Å; I473-L489 HydrophobicContact CD1-CB 3.86Å; I473-L489 HydrophobicContact CD1-CD1 4.36Å; I473-L489 HydrophobicContact CG1-CB 4.31Å; I473-I490 HydrophobicContact CD1-CD1 4.26Å; I473-I490 HydrophobicContact CD1-CG1 3.7Å
474	D	53.7	Low	53	Low	91 Å²	91	96 Å²	96	49%	0.487	54%	0.535	S	S	.	.			trans	-45.1	137.8	173.6	-73.7	-36.9	0	0	0	109.2	E476 I477 K478	D474-E476 PolarHBondContact O-N 3.46Å; D474-I477 HydrophobicContact CB-CB 4.44Å; D474-I477 HydrophobicContact CB-CD1 4.08Å; D474-I477 HydrophobicContact CB-CG1 4.08Å; D474-I477 WeakPolarHBondContact O-CA 3.05Å; D474-I477 PolarHBondContact O-N 3.47Å; D474-K478 PolarHBondContact O-N 3.04Å; D474-K478 VanDerWaalsContact O-N 3.09Å
475	K	51.3	Low	56.1	Low	183 Å²	183	93.1 Å²	93.1	80%	0.796	51%	0.508	S	S	*	.	H	α-helix	trans	-51.9	-31.7	178.9	-74.5	-177.6	177.7	178.4	0	111.6	I473	I473-K475 PolarHBondContact O-N 2.86Å
476	E	52.9	Low	59.1	Low	142 Å²	142	89.2 Å²	89.2	66%	0.664	48%	0.481	S	S	*	.	H	α-helix	trans	-66.8	-43.3	175.6	-64	180	-173.1	0	0	112.5	D474 K478 N479 L480	D474-E476 PolarHBondContact O-N 3.46Å; E476-K478 VanDerWaalsContact C-N 3.34Å; E476-K478 PolarHBondContact O-N 3.24Å; E476-N479 PolarHBondContact O-N 3.5Å; E476-L480 WeakPolarHBondContact O-CG 3.43Å
477	I	58.7	Low	62.2	Low	56 Å²	56	84 Å²	84	29%	0.287	46%	0.456	S	S	.	.	H	α-helix	trans	-65.7	-37.6	177.3	-64.3	173.1	0	0	0	110.9	I473 D474 N479 L480 L481	I473-I477 HydrophobicContact CG2-CB 3.71Å; I473-I477 HydrophobicContact CG2-CG2 3.56Å; D474-I477 HydrophobicContact CB-CB 4.44Å; D474-I477 HydrophobicContact CB-CD1 4.08Å; D474-I477 HydrophobicContact CB-CG1 4.08Å; D474-I477 WeakPolarHBondContact O-CA 3.05Å; D474-I477 PolarHBondContact O-N 3.47Å; I477-N479 PolarHBondContact O-N 3.25Å; I477-L480 PolarHBondContact O-N 2.83Å; I477-L481 HydrophobicContact CG2-CD1 3.44Å; I477-L481 VanDerWaalsContact CG2-CD1 3.44Å; I477-L481 HydrophobicContact CG2-CG 3.94Å; I477-L481 WeakPolarHBondContact O-CG 3.42Å; I477-L481 PolarHBondContact O-N 2.82Å
478	K	61.3	Low	65.3	Low	84 Å²	84	80.8 Å²	80.8	37%	0.365	43%	0.432	S	S	.	.	H	α-helix	trans	-58.6	-32.2	177.6	-68.5	-173.5	-179.3	175.2	0	112.9	I473 D474 E476 L480 V486	I473-K478 HydrophobicContact CB-CG 4Å; I473-K478 HydrophobicContact CG2-CB 4.5Å; I473-K478 HydrophobicContact CG2-CG 3.49Å; I473-K478 VanDerWaalsContact CG2-CG 3.49Å; I473-K478 WeakPolarHBondContact O-CE 3.32Å; D474-K478 PolarHBondContact O-N 3.04Å; D474-K478 VanDerWaalsContact O-N 3.09Å; E476-K478 VanDerWaalsContact C-N 3.34Å; E476-K478 PolarHBondContact O-N 3.24Å; K478-L480 VanDerWaalsContact C-N 3.33Å; K478-V486 HydrophobicContact CG-CG1 4.49Å
479	N	67.9	Low	68.1	Low	144 Å²	144	76.4 Å²	76.4	77%	0.77	40%	0.404	S	S	*	.	H	α-helix	trans	-80.1	-15.5	179.5	-66.7	-19.7	0	0	0	113.2	E476 I477	E476-N479 PolarHBondContact O-N 3.5Å; I477-N479 PolarHBondContact O-N 3.25Å
480	L	73.5	Confident	71	Confident	109 Å²	109	74.5 Å²	74.5	57%	0.571	39%	0.39	S	S	*	.	H	α-helix	trans	-96.7	-20.6	-177.8	-65.9	175.6	0	0	0	113.3	L347 E476 I477 K478	L347-L480 HydrophobicContact CD1-CD2 3.39Å; L347-L480 HydrophobicContact CG-CD2 4.08Å; E476-L480 WeakPolarHBondContact O-CG 3.43Å; I477-L480 PolarHBondContact O-N 2.83Å; K478-L480 VanDerWaalsContact C-N 3.33Å
481	L	83.9	Confident	73.7	Confident	31 Å²	31	74.5 Å²	74.5	16%	0.162	39%	0.385	C	S	.	.	S	Bend	trans	-107.5	151	-173.8	-63.5	-174.4	0	0	0	111.3	F298 I302 I477 Q485 V486 L489	F298-L481 HydrophobicContact CE1-CD1 4.35Å; F298-L481 HydrophobicContact CZ-CD1 4.02Å; F298-L481 HydrophobicContact CZ-CD2 3.96Å; I302-L481 HydrophobicContact CD1-CD1 3.99Å; I302-L481 HydrophobicContact CD1-CD2 4.34Å; I477-L481 HydrophobicContact CG2-CD1 3.44Å; I477-L481 VanDerWaalsContact CG2-CD1 3.44Å; I477-L481 HydrophobicContact CG2-CG 3.94Å; I477-L481 WeakPolarHBondContact O-CG 3.42Å; I477-L481 PolarHBondContact O-N 2.82Å; L481-Q485 HydrophobicContact CB-CB 3.92Å; L481-Q485 HydrophobicContact CD1-CB 4.46Å; L481-V486 HydrophobicContact CB-CG2 3.78Å; L481-L489 HydrophobicContact CD1-CD1 3.66Å
482	S	88	Confident	75.9	Confident	44 Å²	44	72.6 Å²	72.6	31%	0.308	38%	0.378	S	S	.	.			trans	-65.8	156.9	169.7	75.3	0	0	0	0	110.8	S484 Q485 V486	S482-S484 PolarHBondContact O-N 2.89Å; S482-S484 VanDerWaalsContact O-N 3.16Å; S482-S484 PolarHBondContact OG-OG 2.94Å; S482-Q485 WeakPolarHBondContact O-CB 3.45Å; S482-Q485 PolarHBondContact O-N 2.81Å; S482-Q485 WeakPolarHBondContact OG-CB 3.5Å; S482-Q485 VanDerWaalsContact OG-CG 3.31Å; S482-Q485 WeakPolarHBondContact OG-CG 3.45Å; S482-Q485 PolarHBondContact OG-N 2.68Å; S482-Q485 VanDerWaalsContact OG-N 3.15Å; S482-V486 WeakPolarHBondContact O-CG2 3.39Å; S482-V486 PolarHBondContact O-N 3.26Å
483	P	88.3	Confident	77.4	Confident	113 Å²	113	70.5 Å²	70.5	73%	0.734	37%	0.369	S	S	*	.	H	α-helix	trans	-53.2	-37	173.3	-28.3	35.7	0	0	0	113.4	Q487	P483-Q487 WeakPolarHBondContact O-CB 3.46Å; P483-Q487 PolarHBondContact O-N 2.77Å
484	S	90.5	Very high	79.4	Confident	80 Å²	80	76.3 Å²	76.3	56%	0.559	39%	0.394	S	S	*	.	H	α-helix	trans	-68.3	-35.7	177.3	70.3	0	0	0	0	112.9	S482 Q487 T488	S482-S484 PolarHBondContact O-N 2.89Å; S482-S484 VanDerWaalsContact O-N 3.16Å; S482-S484 PolarHBondContact OG-OG 2.94Å; S484-Q487 PolarHBondContact O-N 2.83Å; S484-T488 PolarHBondContact O-N 3.01Å; S484-T488 PolarHBondContact O-OG1 3.5Å
485	Q	89.2	Confident	81.4	Confident	64 Å²	64	74.6 Å²	74.6	30%	0.299	38%	0.381	S	S	.	.	H	α-helix	trans	-70.3	-43.4	176.6	-80.2	176.6	-32	0	0	111.5	F298 L481 S482 Q487 T488 L489	F298-Q485 HydrophobicContact CD2-CG 4.36Å; F298-Q485 HydrophobicContact CE1-CB 3.78Å; F298-Q485 HydrophobicContact CE1-CG 4.1Å; F298-Q485 WeakPolarHBondContact CE1-O 3.26Å; F298-Q485 HydrophobicContact CE2-CB 4.1Å; F298-Q485 HydrophobicContact CE2-CG 3.58Å; F298-Q485 VanDerWaalsContact CE2-NE2 3.3Å; F298-Q485 HydrophobicContact CZ-CB 3.38Å; F298-Q485 HydrophobicContact CZ-CG 3.41Å; F298-Q485 VanDerWaalsContact CZ-CG 3.41Å; L481-Q485 HydrophobicContact CB-CB 3.92Å; L481-Q485 HydrophobicContact CD1-CB 4.46Å; S482-Q485 WeakPolarHBondContact O-CB 3.45Å; S482-Q485 PolarHBondContact O-N 2.81Å; S482-Q485 WeakPolarHBondContact OG-CB 3.5Å; S482-Q485 VanDerWaalsContact OG-CG 3.31Å; S482-Q485 WeakPolarHBondContact OG-CG 3.45Å; S482-Q485 PolarHBondContact OG-N 2.68Å; S482-Q485 VanDerWaalsContact OG-N 3.15Å; Q485-Q487 VanDerWaalsContact C-N 3.31Å; Q485-Q487 PolarHBondContact O-N 3.49Å; Q485-T488 WeakPolarHBondContact O-CB 3.49Å; Q485-T488 PolarHBondContact O-N 3.32Å; Q485-L489 PolarHBondContact O-N 2.69Å
486	V	87.4	Confident	83.3	Confident	20 Å²	20	68.3 Å²	68.3	12%	0.121	36%	0.356	C	S	.	.	H	α-helix	trans	-56.9	-47.4	171.6	172.4	0	0	0	0	109.9	I473 K478 L481 S482 T488 L489 I490	I473-V486 HydrophobicContact CD1-CB 4.26Å; I473-V486 HydrophobicContact CD1-CG1 3.56Å; I473-V486 VanDerWaalsContact CD1-O 3.31Å; I473-V486 WeakPolarHBondContact CD1-O 3.44Å; K478-V486 HydrophobicContact CG-CG1 4.49Å; L481-V486 HydrophobicContact CB-CG2 3.78Å; S482-V486 WeakPolarHBondContact O-CG2 3.39Å; S482-V486 PolarHBondContact O-N 3.26Å; V486-T488 VanDerWaalsContact C-N 3.33Å; V486-T488 PolarHBondContact O-N 2.6Å; V486-L489 PolarHBondContact O-N 2.73Å; V486-I490 HydrophobicContact CG1-CD1 4.07Å; V486-I490 WeakPolarHBondContact O-CG1 3.35Å; V486-I490 PolarHBondContact O-N 3.03Å; V486-I490 VanDerWaalsContact O-N 3.1Å
487	Q	90.4	Very high	85.2	Confident	90 Å²	90	63.9 Å²	63.9	42%	0.421	34%	0.337	S	S	.	.	H	α-helix	trans	-61.6	-40.1	177.7	-169.7	59.7	47.7	0	0	112.5	P483 S484 Q485 L489 I490 D491	P483-Q487 WeakPolarHBondContact O-CB 3.46Å; P483-Q487 PolarHBondContact O-N 2.77Å; S484-Q487 PolarHBondContact O-N 2.83Å; Q485-Q487 VanDerWaalsContact C-N 3.31Å; Q485-Q487 PolarHBondContact O-N 3.49Å; Q487-L489 VanDerWaalsContact C-N 3.27Å; Q487-L489 PolarHBondContact O-N 3.44Å; Q487-I490 PolarHBondContact O-N 3.45Å; Q487-D491 PolarHBondContact NE2-OD1 3.39Å; Q487-D491 VanDerWaalsContact O-CG 3.22Å; Q487-D491 PolarHBondContact O-N 3.31Å
488	T	91.1	Very high	86.8	Confident	39 Å²	39	64.5 Å²	64.5	24%	0.239	34%	0.339	C	S	.	.	H	α-helix	trans	-57.2	-40.4	176.9	-58.5	0	0	0	0	112.2	Q295 F298 S484 Q485 V486 L492	Q295-T488 HydrophobicContact CB-CG2 4.18Å; Q295-T488 HydrophobicContact CG-CG2 3.76Å; F298-T488 HydrophobicContact CB-CG2 4.36Å; F298-T488 HydrophobicContact CD1-CG2 3.94Å; F298-T488 HydrophobicContact CG-CG2 4.48Å; S484-T488 PolarHBondContact O-N 3.01Å; S484-T488 PolarHBondContact O-OG1 3.5Å; Q485-T488 WeakPolarHBondContact O-CB 3.49Å; Q485-T488 PolarHBondContact O-N 3.32Å; V486-T488 VanDerWaalsContact C-N 3.33Å; V486-T488 PolarHBondContact O-N 2.6Å; T488-L492 WeakPolarHBondContact O-CB 3.38Å; T488-L492 PolarHBondContact O-N 3.22Å; T488-L492 VanDerWaalsContact O-N 3.1Å
489	L	87.5	Confident	88.4	Confident	32 Å²	32	61.9 Å²	61.9	17%	0.168	33%	0.328	C	S	.	.	H	α-helix	trans	-71.5	-40.6	177.3	-67.1	172.7	0	0	0	112.1	F298 I302 I473 L481 Q485 V486 Q487 D491 L492 E493	F298-L489 HydrophobicContact CD1-CD2 4.07Å; F298-L489 HydrophobicContact CD1-CG 4.19Å; F298-L489 HydrophobicContact CE1-CD1 4.06Å; F298-L489 HydrophobicContact CE1-CD2 4.05Å; F298-L489 HydrophobicContact CE1-CG 3.78Å; I302-L489 HydrophobicContact CD1-CD1 3.98Å; I302-L489 HydrophobicContact CD1-CD2 4.31Å; I473-L489 HydrophobicContact CD1-CB 3.86Å; I473-L489 HydrophobicContact CD1-CD1 4.36Å; I473-L489 HydrophobicContact CG1-CB 4.31Å; L481-L489 HydrophobicContact CD1-CD1 3.66Å; Q485-L489 PolarHBondContact O-N 2.69Å; V486-L489 PolarHBondContact O-N 2.73Å; Q487-L489 VanDerWaalsContact C-N 3.27Å; Q487-L489 PolarHBondContact O-N 3.44Å; L489-D491 VanDerWaalsContact C-N 3.32Å; L489-D491 PolarHBondContact O-N 2.98Å; L489-L492 PolarHBondContact O-N 3.07Å; L489-E493 WeakPolarHBondContact O-CB 3.15Å; L489-E493 PolarHBondContact O-N 2.81Å
490	I	89.4	Confident	89.7	Confident	22 Å²	22	56.9 Å²	56.9	11%	0.113	30%	0.301	C	S	.	.	H	α-helix	trans	-59.2	-45.9	174.6	-68.5	171.7	0	0	0	110.5	Y471 I473 V486 Q487 L492 E493 K494	Y471-I490 HydrophobicContact CD1-CG2 4.04Å; Y471-I490 HydrophobicContact CD2-CB 4.34Å; Y471-I490 HydrophobicContact CD2-CD1 4.02Å; Y471-I490 HydrophobicContact CD2-CG1 3.96Å; Y471-I490 HydrophobicContact CD2-CG2 3.52Å; Y471-I490 HydrophobicContact CE1-CG2 4.06Å; Y471-I490 HydrophobicContact CE2-CG2 3.54Å; Y471-I490 HydrophobicContact CG-CB 4.37Å; Y471-I490 HydrophobicContact CG-CG1 4.01Å; Y471-I490 HydrophobicContact CG-CG2 3.78Å; I473-I490 HydrophobicContact CD1-CD1 4.26Å; I473-I490 HydrophobicContact CD1-CG1 3.7Å; V486-I490 HydrophobicContact CG1-CD1 4.07Å; V486-I490 WeakPolarHBondContact O-CG1 3.35Å; V486-I490 PolarHBondContact O-N 3.03Å; V486-I490 VanDerWaalsContact O-N 3.1Å; Q487-I490 PolarHBondContact O-N 3.45Å; I490-L492 VanDerWaalsContact C-N 3.33Å; I490-L492 PolarHBondContact O-N 2.86Å; I490-E493 PolarHBondContact O-N 2.98Å; I490-K494 WeakPolarHBondContact O-CB 3.34Å; I490-K494 PolarHBondContact O-N 3.23Å
491	D	93.1	Very high	90.6	Very high	67 Å²	67	53.4 Å²	53.4	36%	0.358	28%	0.282	S	S	.	.	H	α-helix	trans	-65.4	-39.2	-179.4	-66.7	-20.4	0	0	0	111.4	Q487 L489 Y495	Q487-D491 PolarHBondContact NE2-OD1 3.39Å; Q487-D491 VanDerWaalsContact O-CG 3.22Å; Q487-D491 PolarHBondContact O-N 3.31Å; L489-D491 VanDerWaalsContact C-N 3.32Å; L489-D491 PolarHBondContact O-N 2.98Å; D491-Y495 WeakPolarHBondContact O-CB 3.47Å; D491-Y495 PolarHBondContact O-N 3.32Å
492	L	90.8	Very high	91.1	Very high	15 Å²	15	53.6 Å²	53.6	8%	0.079	29%	0.285	C	S	.	.	H	α-helix	trans	-63.9	-47.4	174.8	176.9	59.2	0	0	0	111.4	I291 Q295 A299 T488 L489 I490 Y495 L496	I291-L492 HydrophobicContact CD1-CD1 4.26Å; I291-L492 HydrophobicContact CG2-CD1 3.37Å; Q295-L492 HydrophobicContact CB-CB 4.34Å; Q295-L492 HydrophobicContact CB-CD1 4.34Å; A299-L492 HydrophobicContact CB-CD2 4.1Å; T488-L492 WeakPolarHBondContact O-CB 3.38Å; T488-L492 PolarHBondContact O-N 3.22Å; T488-L492 VanDerWaalsContact O-N 3.1Å; L489-L492 PolarHBondContact O-N 3.07Å; I490-L492 VanDerWaalsContact C-N 3.33Å; I490-L492 PolarHBondContact O-N 2.86Å; L492-Y495 WeakPolarHBondContact O-CB 3.05Å; L492-Y495 PolarHBondContact O-N 2.68Å; L492-L496 HydrophobicContact CD1-CD1 4.07Å; L492-L496 HydrophobicContact CD1-CG 4.16Å; L492-L496 HydrophobicContact CG-CD1 4.04Å; L492-L496 VanDerWaalsContact O-CG 3.3Å; L492-L496 WeakPolarHBondContact O-CG 3.21Å; L492-L496 PolarHBondContact O-N 3.25Å
493	E	87.1	Confident	91.5	Very high	43 Å²	43	56.3 Å²	56.3	20%	0.201	29%	0.288	C	S	.	.	H	α-helix	trans	-61.1	-46.9	178.2	-176.4	-178.8	175.6	0	0	111.3	F472 L489 I490 Y495 L496 N497	F472-E493 WeakPolarHBondContact CB-OE1 3.47Å; F472-E493 PolarHBondContact N-OE1 3.42Å; F472-E493 PolarHBondContact N-OE2 3.02Å; F472-E493 VanDerWaalsContact N-OE2 3.09Å; L489-E493 WeakPolarHBondContact O-CB 3.15Å; L489-E493 PolarHBondContact O-N 2.81Å; I490-E493 PolarHBondContact O-N 2.98Å; E493-Y495 VanDerWaalsContact C-N 3.3Å; E493-Y495 PolarHBondContact O-N 3.27Å; E493-L496 PolarHBondContact O-N 2.82Å; E493-N497 WeakPolarHBondContact O-CB 3.48Å; E493-N497 PolarHBondContact O-N 3.37Å
494	K	92.3	Very high	91.9	Very high	133 Å²	133	51.8 Å²	51.8	58%	0.578	26%	0.257	S	S	*	.	H	α-helix	trans	-57	-45.7	175.9	-179.5	-178.9	176.9	-176.5	0	111.3	I490 E498	I490-K494 WeakPolarHBondContact O-CB 3.34Å; I490-K494 PolarHBondContact O-N 3.23Å; K494-E498 WeakPolarHBondContact O-CB 3.42Å; K494-E498 PolarHBondContact O-N 3.01Å
495	Y	95.3	Very high	92.2	Very high	55 Å²	55	48 Å²	48	22%	0.216	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-48.8	177.2	176.5	-92.3	0	0	0	111.7	P287 R290 I291 D491 L492 E493 N497 E498 E499	P287-Y495 WeakPolarHBondContact O-CE1 3.2Å; P287-Y495 PolarHBondContact O-OH 3.38Å; R290-Y495 WeakPolarHBondContact CB-OH 3.41Å; I291-Y495 HydrophobicContact CB-CE1 4.45Å; I291-Y495 HydrophobicContact CD1-CE1 4.45Å; I291-Y495 HydrophobicContact CG1-CD1 3.83Å; I291-Y495 HydrophobicContact CG1-CE1 3.45Å; I291-Y495 VanDerWaalsContact CG1-CE1 3.45Å; D491-Y495 WeakPolarHBondContact O-CB 3.47Å; D491-Y495 PolarHBondContact O-N 3.32Å; L492-Y495 WeakPolarHBondContact O-CB 3.05Å; L492-Y495 PolarHBondContact O-N 2.68Å; E493-Y495 VanDerWaalsContact C-N 3.3Å; E493-Y495 PolarHBondContact O-N 3.27Å; Y495-N497 PolarHBondContact O-N 3.47Å; Y495-E498 PolarHBondContact O-N 3.21Å; Y495-E499 HydrophobicContact CD1-CG 4.47Å; Y495-E499 HydrophobicContact CD2-CG 4.19Å; Y495-E499 HydrophobicContact CE1-CG 4Å; Y495-E499 HydrophobicContact CE2-CG 3.69Å; Y495-E499 WeakPolarHBondContact O-CB 3.43Å; Y495-E499 WeakPolarHBondContact O-CG 3.4Å; Y495-E499 PolarHBondContact O-N 3.33Å
496	L	91.6	Very high	92.6	Very high	51 Å²	51	50.8 Å²	50.8	27%	0.267	24%	0.243	S	C	.	.	H	α-helix	trans	-62.1	-43.5	-180	-71.1	171.7	0	0	0	111.7	L288 I291 L492 E493 L500	L288-L496 HydrophobicContact CD2-CD2 4.21Å; I291-L496 HydrophobicContact CD1-CD2 3.7Å; L492-L496 HydrophobicContact CD1-CD1 4.07Å; L492-L496 HydrophobicContact CD1-CG 4.16Å; L492-L496 HydrophobicContact CG-CD1 4.04Å; L492-L496 VanDerWaalsContact O-CG 3.3Å; L492-L496 WeakPolarHBondContact O-CG 3.21Å; L492-L496 PolarHBondContact O-N 3.25Å; E493-L496 PolarHBondContact O-N 2.82Å; L496-L500 HydrophobicContact CB-CD1 4.42Å; L496-L500 HydrophobicContact CD2-CD1 3.73Å; L496-L500 HydrophobicContact CD2-CG 4.37Å; L496-L500 WeakPolarHBondContact O-CA 3.25Å; L496-L500 WeakPolarHBondContact O-CB 3.45Å; L496-L500 WeakPolarHBondContact O-CG 3.36Å; L496-L500 PolarHBondContact O-N 3.45Å
497	N	91	Very high	93.1	Very high	49 Å²	49	53.8 Å²	53.8	26%	0.262	25%	0.252	S	S	.	.	H	α-helix	trans	-64	-44.8	177.6	-177.8	74.3	0	0	0	111.9	E493 Y495 I501 V502	E493-N497 WeakPolarHBondContact O-CB 3.48Å; E493-N497 PolarHBondContact O-N 3.37Å; Y495-N497 PolarHBondContact O-N 3.47Å; N497-I501 WeakPolarHBondContact O-CA 3.48Å; N497-I501 VanDerWaalsContact O-CB 3.31Å; N497-I501 WeakPolarHBondContact O-CB 3.45Å; N497-I501 PolarHBondContact O-N 3.39Å; N497-I501 VanDerWaalsContact O-N 3.09Å; N497-V502 PolarHBondContact O-N 3.48Å; N497-V502 VanDerWaalsContact O-N 3.1Å
498	E	94.1	Very high	93.5	Very high	69 Å²	69	49.5 Å²	49.5	32%	0.322	23%	0.232	S	C	.	.	I	π-helix	trans	-60.5	-48.7	177.6	179.9	67.6	-171.2	0	0	111.5	K494 Y495 V502 R503	K494-E498 WeakPolarHBondContact O-CB 3.42Å; K494-E498 PolarHBondContact O-N 3.01Å; Y495-E498 PolarHBondContact O-N 3.21Å; E498-V502 WeakPolarHBondContact O-CB 3.48Å; E498-V502 PolarHBondContact O-N 2.67Å; E498-R503 HydrophobicContact CG-CG 4.5Å; E498-R503 WeakPolarHBondContact O-CG 3.22Å; E498-R503 PolarHBondContact O-N 3.18Å; E498-R503 IonicContact OE1-CZ 2.87Å; E498-R503 IonicContact OE1-NE 3.48Å; E498-R503 PolarHBondContact OE1-NE 3.11Å; E498-R503 IonicContact OE1-NH2 2.91Å; E498-R503 PolarHBondContact OE1-NH2 3.42Å
499	E	95.1	Very high	93.8	Very high	29 Å²	29	47.8 Å²	47.8	14%	0.136	22%	0.222	C	C	.	.	I	π-helix	trans	-81.3	-41.9	-173.3	-69.8	-66.4	157.1	0	0	113.8	P287 Y495 R503	P287-E499 HydrophobicContact CB-CB 3.91Å; P287-E499 HydrophobicContact CG-CB 4.44Å; Y495-E499 HydrophobicContact CD1-CG 4.47Å; Y495-E499 HydrophobicContact CD2-CG 4.19Å; Y495-E499 HydrophobicContact CE1-CG 4Å; Y495-E499 HydrophobicContact CE2-CG 3.69Å; Y495-E499 WeakPolarHBondContact O-CB 3.43Å; Y495-E499 WeakPolarHBondContact O-CG 3.4Å; Y495-E499 PolarHBondContact O-N 3.33Å; E499-R503 IonicContact OE1-CZ 3.6Å; E499-R503 IonicContact OE1-NH1 2.67Å; E499-R503 PolarHBondContact OE1-NH1 3.17Å
500	L	93.3	Very high	94.3	Very high	39 Å²	39	54.2 Å²	54.2	20%	0.204	25%	0.245	C	C	.	.	I	π-helix	trans	-90.3	-18.5	-173.2	-55.7	-176.3	0	0	0	113.2	P287 L288 L496 R504 H534	P287-L500 HydrophobicContact CB-CD2 3.69Å; P287-L500 HydrophobicContact CG-CD2 4.31Å; L288-L500 HydrophobicContact CD2-CD1 4.15Å; L496-L500 HydrophobicContact CB-CD1 4.42Å; L496-L500 HydrophobicContact CD2-CD1 3.73Å; L496-L500 HydrophobicContact CD2-CG 4.37Å; L496-L500 WeakPolarHBondContact O-CA 3.25Å; L496-L500 WeakPolarHBondContact O-CB 3.45Å; L496-L500 WeakPolarHBondContact O-CG 3.36Å; L496-L500 PolarHBondContact O-N 3.45Å; L500-R504 WeakPolarHBondContact O-CB 3.33Å; L500-R504 VanDerWaalsContact O-CD 3.27Å; L500-R504 WeakPolarHBondContact O-CD 3.15Å; L500-H534 PolarHBondContact O-CE1 3.33Å; L500-H534 VanDerWaalsContact O-CE1 3.32Å
501	I	92.8	Very high	94.8	Very high	36 Å²	36	55.6 Å²	55.6	19%	0.185	25%	0.251	C	S	.	.	I	π-helix	trans	-113.1	-66	176	-55.1	-62.5	0	0	0	110	N497 R504 N505 A533	N497-I501 WeakPolarHBondContact O-CA 3.48Å; N497-I501 VanDerWaalsContact O-CB 3.31Å; N497-I501 WeakPolarHBondContact O-CB 3.45Å; N497-I501 PolarHBondContact O-N 3.39Å; N497-I501 VanDerWaalsContact O-N 3.09Å; I501-R504 PolarHBondContact O-N 3.35Å; I501-N505 WeakPolarHBondContact O-CB 3.15Å; I501-N505 PolarHBondContact O-N 3.38Å; I501-N505 PolarHBondContact O-ND2 3.22Å; I501-N505 PolarHBondContact O-OD1 3.08Å; I501-A533 HydrophobicContact CD1-CB 3.92Å
502	V	94.7	Very high	95	Very high	35 Å²	35	52.4 Å²	52.4	21%	0.212	23%	0.234	C	C	.	.	I	π-helix	trans	-64.8	-61	-168.3	-178.8	0	0	0	0	111.9	N497 E498 R504 N505 E506 E540	N497-V502 PolarHBondContact O-N 3.48Å; N497-V502 VanDerWaalsContact O-N 3.1Å; E498-V502 WeakPolarHBondContact O-CB 3.48Å; E498-V502 PolarHBondContact O-N 2.67Å; V502-R504 VanDerWaalsContact C-N 3.26Å; V502-R504 PolarHBondContact O-N 3.07Å; V502-N505 PolarHBondContact O-N 3.12Å; V502-E506 PolarHBondContact O-N 2.66Å; V502-E540 HydrophobicContact CG1-CB 4.16Å; V502-E540 HydrophobicContact CG1-CG 4.34Å
503	R	96	Very high	95.4	Very high	102 Å²	102	53.1 Å²	53.1	39%	0.385	24%	0.238	S	C	.	.	H	α-helix	trans	-66	-31.6	-179.2	-68.3	-174.1	174.2	133.7	18.5	112.4	E498 E499 R507	E498-R503 HydrophobicContact CG-CG 4.5Å; E498-R503 WeakPolarHBondContact O-CG 3.22Å; E498-R503 PolarHBondContact O-N 3.18Å; E498-R503 IonicContact OE1-CZ 2.87Å; E498-R503 IonicContact OE1-NE 3.48Å; E498-R503 PolarHBondContact OE1-NE 3.11Å; E498-R503 IonicContact OE1-NH2 2.91Å; E498-R503 PolarHBondContact OE1-NH2 3.42Å; E499-R503 IonicContact OE1-CZ 3.6Å; E499-R503 IonicContact OE1-NH1 2.67Å; E499-R503 PolarHBondContact OE1-NH1 3.17Å; R503-R507 WeakPolarHBondContact O-CG 3.33Å; R503-R507 PolarHBondContact O-N 2.71Å; R503-R507 PolarHBondContact O-NH1 3.18Å
504	R	96.4	Very high	96	Very high	17 Å²	17	53.3 Å²	53.3	6%	0.064	24%	0.244	C	C	.	.	H	α-helix	trans	-70.4	-40.8	178.3	-158.7	174.2	168.3	-147.6	-17.2	111.6	E162 E279 Q284 L500 I501 V502 E506 R507 M508	E162-R504 IonicContact OE1-NH2 3.05Å; E162-R504 IonicContact OE2-CZ 3.08Å; E162-R504 IonicContact OE2-NH1 3.28Å; E162-R504 IonicContact OE2-NH2 3.73Å; E162-R504 PolarHBondContact OE2-NH2 3.24Å; E279-R504 WeakPolarHBondContact OE1-CD 3.41Å; E279-R504 WeakPolarHBondContact OE1-CG 3.22Å; E279-R504 IonicContact OE1-CZ 3.78Å; E279-R504 IonicContact OE1-NE 2.61Å; E279-R504 PolarHBondContact OE1-NE 2.72Å; E279-R504 IonicContact OE1-NH2 2.61Å; E279-R504 IonicContact OE2-CZ 3.68Å; E279-R504 IonicContact OE2-NE 3.48Å; E279-R504 PolarHBondContact OE2-NE 3.22Å; E279-R504 IonicContact OE2-NH2 3.86Å; E279-R504 PolarHBondContact OE2-NH2 2.79Å; Q284-R504 VanDerWaalsContact OE1-CZ 3.26Å; L500-R504 WeakPolarHBondContact O-CB 3.33Å; L500-R504 VanDerWaalsContact O-CD 3.27Å; L500-R504 WeakPolarHBondContact O-CD 3.15Å; I501-R504 PolarHBondContact O-N 3.35Å; V502-R504 VanDerWaalsContact C-N 3.26Å; V502-R504 PolarHBondContact O-N 3.07Å; R504-E506 VanDerWaalsContact C-N 3.32Å; R504-E506 PolarHBondContact O-N 3.38Å; R504-R507 PolarHBondContact O-N 2.8Å; R504-M508 HydrophobicContact CG-CE 4.03Å; R504-M508 WeakPolarHBondContact O-CB 3.38Å; R504-M508 WeakPolarHBondContact O-CG 3.48Å; R504-M508 PolarHBondContact O-N 3.28Å
505	N	97.9	Very high	96.3	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.011	23%	0.226	C	C	.	.	H	α-helix	trans	-59	-43.3	173.4	-74.1	-12.2	0	0	0	111.7	I501 V502 A509 H534 E540 I542	I501-N505 WeakPolarHBondContact O-CB 3.15Å; I501-N505 PolarHBondContact O-N 3.38Å; I501-N505 PolarHBondContact O-ND2 3.22Å; I501-N505 PolarHBondContact O-OD1 3.08Å; V502-N505 PolarHBondContact O-N 3.12Å; N505-A509 WeakPolarHBondContact O-CB 3.38Å; N505-A509 PolarHBondContact O-N 2.94Å; N505-H534 WeakPolarHBondContact OD1-CB 3.4Å; N505-H534 PolarHBondContact OD1-ND1 3.45Å; N505-E540 WeakPolarHBondContact CB-O 3.3Å; N505-E540 PolarHBondContact ND2-O 3.23Å; N505-I542 HydrophobicContact CB-CG1 4.17Å
506	E	97.5	Very high	96.4	Very high	121 Å²	121	46.6 Å²	46.6	57%	0.565	22%	0.216	S	C	*	.	H	α-helix	trans	-60.3	-50.6	177.7	-174.6	-178.5	-164.9	0	0	111.5	V502 R504 A509 Y510	V502-E506 PolarHBondContact O-N 2.66Å; R504-E506 VanDerWaalsContact C-N 3.32Å; R504-E506 PolarHBondContact O-N 3.38Å; E506-A509 PolarHBondContact O-N 3.07Å; E506-Y510 PolarHBondContact O-N 3.49Å; E506-Y510 VanDerWaalsContact O-N 3.11Å
507	R	97.6	Very high	96.7	Very high	84 Å²	84	50.4 Å²	50.4	32%	0.317	23%	0.23	S	C	.	.	H	α-helix	trans	-62.1	-48	178.5	-68.5	-165.7	-59.4	-77.6	2.3	112.1	D283 R503 R504 A509 Y510 E511	D283-R507 IonicContact OD1-CZ 3.41Å; D283-R507 IonicContact OD1-NE 3.71Å; D283-R507 PolarHBondContact OD1-NE 3.5Å; D283-R507 VanDerWaalsContact OD1-NE 3.12Å; R503-R507 WeakPolarHBondContact O-CG 3.33Å; R503-R507 PolarHBondContact O-N 2.71Å; R503-R507 PolarHBondContact O-NH1 3.18Å; R504-R507 PolarHBondContact O-N 2.8Å; R507-A509 VanDerWaalsContact C-N 3.35Å; R507-A509 PolarHBondContact O-N 2.77Å; R507-Y510 PolarHBondContact O-N 3.04Å; R507-E511 PolarHBondContact O-N 3.33Å
508	M	98.5	Very high	97	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-41.5	177.7	-76.6	-161.2	-76.3	0	0	111.8	E162 V278 E279 R504 Y510 E511 I512 L530 H534 I542	E162-M508 HydrophobicContact CG-SD 4.28Å; V278-M508 HydrophobicContact CG2-CB 4.46Å; V278-M508 HydrophobicContact CG2-CG 4.01Å; V278-M508 HydrophobicContact CG2-SD 3.87Å; E279-M508 HydrophobicContact CG-CG 3.55Å; E279-M508 HydrophobicContact CG-SD 3.97Å; E279-M508 WeakPolarHBondContact OE1-CG 3.25Å; R504-M508 HydrophobicContact CG-CE 4.03Å; R504-M508 WeakPolarHBondContact O-CB 3.38Å; R504-M508 WeakPolarHBondContact O-CG 3.48Å; R504-M508 PolarHBondContact O-N 3.28Å; M508-Y510 VanDerWaalsContact C-N 3.32Å; M508-Y510 PolarHBondContact O-N 3.39Å; M508-E511 PolarHBondContact O-N 2.95Å; M508-I512 HydrophobicContact CB-CD1 4.37Å; M508-I512 WeakPolarHBondContact O-CB 3.48Å; M508-I512 WeakPolarHBondContact O-CD1 3.3Å; M508-I512 WeakPolarHBondContact O-CG1 3.44Å; M508-I512 PolarHBondContact O-N 3.34Å; M508-L530 HydrophobicContact SD-CD1 4.35Å; M508-L530 HydrophobicContact SD-CD2 4.44Å; M508-H534 HydrophobicContact CE-CB 4.29Å; M508-H534 WeakPolarHBondContact CE-CE1 3.38Å; M508-H534 WeakPolarHBondContact CE-ND1 3.43Å; M508-I542 HydrophobicContact CB-CD1 4.19Å; M508-I542 HydrophobicContact CE-CD1 3.83Å; M508-I542 HydrophobicContact SD-CD1 4.34Å
509	A	98.5	Very high	97.2	Very high	3 Å²	3	48.8 Å²	48.8	3%	0.025	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-42	178.6	0	0	0	0	0	111.7	N505 E506 R507 E511 I512 I513 H545	N505-A509 WeakPolarHBondContact O-CB 3.38Å; N505-A509 PolarHBondContact O-N 2.94Å; E506-A509 PolarHBondContact O-N 3.07Å; R507-A509 VanDerWaalsContact C-N 3.35Å; R507-A509 PolarHBondContact O-N 2.77Å; A509-E511 VanDerWaalsContact C-N 3.33Å; A509-E511 PolarHBondContact O-N 3.31Å; A509-I512 PolarHBondContact O-N 3.29Å; A509-I513 WeakPolarHBondContact O-CD1 3.34Å; A509-I513 WeakPolarHBondContact O-CG1 3.48Å; A509-I513 PolarHBondContact O-N 3.42Å; A509-H545 HydrophobicContact CB-CB 3.39Å
510	Y	98.3	Very high	97.3	Very high	167 Å²	167	50.6 Å²	50.6	66%	0.655	23%	0.232	S	C	*	.	H	α-helix	trans	-57.8	-45.8	173.8	179.5	-91.7	0	0	0	112	E506 R507 M508 I513 S514	E506-Y510 PolarHBondContact O-N 3.49Å; E506-Y510 VanDerWaalsContact O-N 3.11Å; R507-Y510 PolarHBondContact O-N 3.04Å; M508-Y510 VanDerWaalsContact C-N 3.32Å; M508-Y510 PolarHBondContact O-N 3.39Å; Y510-I513 PolarHBondContact O-N 2.93Å; Y510-S514 PolarHBondContact O-N 2.91Å; Y510-S514 PolarHBondContact O-OG 3.32Å
511	E	98.6	Very high	97.5	Very high	51 Å²	51	53 Å²	53	24%	0.238	25%	0.252	C	S	.	.	H	α-helix	trans	-69.2	-41.3	179.3	-173.6	57.4	-160.2	0	0	112.1	V278 R507 M508 A509 I513 S514 K515	V278-E511 HydrophobicContact CB-CB 4.34Å; V278-E511 HydrophobicContact CB-CG 4.03Å; V278-E511 HydrophobicContact CG1-CG 4.45Å; V278-E511 WeakPolarHBondContact O-CG 3.48Å; R507-E511 PolarHBondContact O-N 3.33Å; M508-E511 PolarHBondContact O-N 2.95Å; A509-E511 VanDerWaalsContact C-N 3.33Å; A509-E511 PolarHBondContact O-N 3.31Å; E511-I513 VanDerWaalsContact C-N 3.31Å; E511-I513 PolarHBondContact O-N 3.4Å; E511-S514 WeakPolarHBondContact O-CA 3.47Å; E511-S514 WeakPolarHBondContact O-CB 3.48Å; E511-S514 PolarHBondContact O-N 3.12Å; E511-K515 HydrophobicContact CG-CG 4.46Å; E511-K515 WeakPolarHBondContact O-CG 3.42Å; E511-K515 PolarHBondContact O-N 2.82Å; E511-K515 WeakPolarHBondContact OE1-CD 3.29Å; E511-K515 WeakPolarHBondContact OE1-CE 3.49Å; E511-K515 IonicContact OE1-NZ 3.57Å; E511-K515 PolarHBondContact OE1-NZ 3.01Å
512	I	98.8	Very high	97.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.1	-45.3	175.1	-69.2	161.9	0	0	0	110.2	V278 M508 A509 S514 K515 L516 F528 L530 I542 L546	V278-I512 HydrophobicContact CB-CG1 4.5Å; V278-I512 HydrophobicContact CG1-CG1 4.03Å; M508-I512 HydrophobicContact CB-CD1 4.37Å; M508-I512 WeakPolarHBondContact O-CB 3.48Å; M508-I512 WeakPolarHBondContact O-CD1 3.3Å; M508-I512 WeakPolarHBondContact O-CG1 3.44Å; M508-I512 PolarHBondContact O-N 3.34Å; A509-I512 PolarHBondContact O-N 3.29Å; I512-S514 VanDerWaalsContact C-N 3.27Å; I512-S514 PolarHBondContact O-N 2.92Å; I512-K515 PolarHBondContact O-N 3.26Å; I512-L516 HydrophobicContact CG2-CD1 3.8Å; I512-L516 HydrophobicContact CG2-CG 4.14Å; I512-L516 WeakPolarHBondContact O-CB 3.35Å; I512-L516 VanDerWaalsContact O-CG 3.24Å; I512-L516 WeakPolarHBondContact O-CG 3.39Å; I512-L516 PolarHBondContact O-N 3.48Å; I512-F528 HydrophobicContact CB-CE1 4.18Å; I512-F528 HydrophobicContact CG1-CD1 3.85Å; I512-F528 HydrophobicContact CG1-CE1 3.93Å; I512-F528 HydrophobicContact CG2-CD1 4.25Å; I512-F528 HydrophobicContact CG2-CE1 3.93Å; I512-F528 HydrophobicContact CG2-CE2 4.23Å; I512-F528 HydrophobicContact CG2-CZ 3.93Å; I512-L530 HydrophobicContact CD1-CD1 3.66Å; I512-I542 HydrophobicContact CD1-CD1 4.04Å; I512-I542 HydrophobicContact CD1-CG2 3.71Å; I512-L546 HydrophobicContact CB-CD2 4.43Å; I512-L546 HydrophobicContact CG2-CD1 4.07Å; I512-L546 HydrophobicContact CG2-CD2 3.92Å
513	I	98.7	Very high	97.9	Very high	30 Å²	30	59.9 Å²	59.9	15%	0.154	29%	0.287	C	S	.	.	H	α-helix	trans	-58.7	-42.5	176.7	-67.8	163.7	0	0	0	110.8	A509 Y510 E511 L516 K517 L546 A549 Y551	A509-I513 WeakPolarHBondContact O-CD1 3.34Å; A509-I513 WeakPolarHBondContact O-CG1 3.48Å; A509-I513 PolarHBondContact O-N 3.42Å; Y510-I513 PolarHBondContact O-N 2.93Å; E511-I513 VanDerWaalsContact C-N 3.31Å; E511-I513 PolarHBondContact O-N 3.4Å; I513-L516 PolarHBondContact O-N 2.82Å; I513-K517 HydrophobicContact CG2-CD 4.35Å; I513-K517 WeakPolarHBondContact O-CG 3.38Å; I513-K517 PolarHBondContact O-N 3.16Å; I513-L546 HydrophobicContact CD1-CD2 4.16Å; I513-L546 HydrophobicContact CG1-CD2 3.5Å; I513-A549 HydrophobicContact CD1-CB 3.51Å; I513-A549 HydrophobicContact CG1-CB 4.27Å; I513-Y551 HydrophobicContact CG1-CE2 3.97Å; I513-Y551 HydrophobicContact CG2-CE2 4.29Å
514	S	98.5	Very high	98	Very high	47 Å²	47	57 Å²	57	33%	0.329	28%	0.278	S	S	.	.	H	α-helix	trans	-65.1	-42.8	177.9	-60.9	0	0	0	0	111.8	Y510 E511 I512 L518	Y510-S514 PolarHBondContact O-N 2.91Å; Y510-S514 PolarHBondContact O-OG 3.32Å; E511-S514 WeakPolarHBondContact O-CA 3.47Å; E511-S514 WeakPolarHBondContact O-CB 3.48Å; E511-S514 PolarHBondContact O-N 3.12Å; I512-S514 VanDerWaalsContact C-N 3.27Å; I512-S514 PolarHBondContact O-N 2.92Å; S514-L518 PolarHBondContact O-N 3.44Å; S514-L518 VanDerWaalsContact O-N 3.12Å
515	K	98.6	Very high	98.1	Very high	47 Å²	47	56.6 Å²	56.6	20%	0.204	28%	0.278	C	S	.	.	H	α-helix	trans	-65.8	-39.3	175	-64.4	-41	-164.4	-149.6	0	112.8	Y160 E511 I512 L518 A519 F528	Y160-K515 HydrophobicContact CD1-CG 4.23Å; Y160-K515 HydrophobicContact CD2-CB 4.27Å; Y160-K515 HydrophobicContact CD2-CG 4.4Å; Y160-K515 HydrophobicContact CE1-CD 3.82Å; Y160-K515 HydrophobicContact CE1-CG 3.95Å; Y160-K515 HydrophobicContact CE2-CB 3.82Å; Y160-K515 HydrophobicContact CE2-CG 4.1Å; Y160-K515 HydrophobicContact CG-CG 4.46Å; E511-K515 HydrophobicContact CG-CG 4.46Å; E511-K515 WeakPolarHBondContact O-CG 3.42Å; E511-K515 PolarHBondContact O-N 2.82Å; E511-K515 WeakPolarHBondContact OE1-CD 3.29Å; E511-K515 WeakPolarHBondContact OE1-CE 3.49Å; E511-K515 IonicContact OE1-NZ 3.57Å; E511-K515 PolarHBondContact OE1-NZ 3.01Å; I512-K515 PolarHBondContact O-N 3.26Å; K515-L518 PolarHBondContact O-N 3.25Å; K515-A519 WeakPolarHBondContact O-CB 3.4Å; K515-A519 PolarHBondContact O-N 3.46Å; K515-F528 HydrophobicContact CB-CE1 3.9Å; K515-F528 HydrophobicContact CB-CZ 3.86Å; K515-F528 HydrophobicContact CG-CE1 4.34Å
516	L	98.6	Very high	98.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.7	-48.7	176.6	-73.7	170.3	0	0	0	111	I122 T124 I512 I513 L518 A519 E520 F528 L546 Y551	I122-L516 HydrophobicContact CD1-CD1 4.07Å; I122-L516 HydrophobicContact CD1-CD2 3.9Å; I122-L516 HydrophobicContact CG2-CD1 4.35Å; T124-L516 HydrophobicContact CG2-CD2 3.99Å; I512-L516 HydrophobicContact CG2-CD1 3.8Å; I512-L516 HydrophobicContact CG2-CG 4.14Å; I512-L516 WeakPolarHBondContact O-CB 3.35Å; I512-L516 VanDerWaalsContact O-CG 3.24Å; I512-L516 WeakPolarHBondContact O-CG 3.39Å; I512-L516 PolarHBondContact O-N 3.48Å; I513-L516 PolarHBondContact O-N 2.82Å; L516-L518 VanDerWaalsContact C-N 3.29Å; L516-L518 PolarHBondContact O-N 3.13Å; L516-A519 PolarHBondContact O-N 2.69Å; L516-E520 WeakPolarHBondContact O-CG 3.31Å; L516-E520 PolarHBondContact O-N 2.81Å; L516-F528 HydrophobicContact CD2-CE2 3.61Å; L516-F528 HydrophobicContact CD2-CZ 4.05Å; L516-F528 HydrophobicContact CG-CE2 4.06Å; L516-F528 HydrophobicContact CG-CZ 4.06Å; L516-L546 HydrophobicContact CD1-CD2 4.43Å; L516-Y551 HydrophobicContact CB-CE1 4.39Å; L516-Y551 HydrophobicContact CD1-CD1 4.32Å; L516-Y551 HydrophobicContact CD1-CE1 3.88Å; L516-Y551 HydrophobicContact CD1-CE2 4.16Å
517	K	98.1	Very high	98.2	Very high	130 Å²	130	50.8 Å²	50.8	57%	0.565	25%	0.251	S	S	*	.	H	α-helix	trans	-58	-42.1	176.2	-73.2	174.1	178.8	177.3	0	112.1	I513 S521	I513-K517 HydrophobicContact CG2-CD 4.35Å; I513-K517 WeakPolarHBondContact O-CG 3.38Å; I513-K517 PolarHBondContact O-N 3.16Å; K517-S521 WeakPolarHBondContact O-CB 3.33Å; K517-S521 PolarHBondContact O-N 2.85Å
518	L	97.6	Very high	98.3	Very high	84 Å²	84	46.8 Å²	46.8	44%	0.44	24%	0.236	S	C	.	.	H	α-helix	trans	-63	-48.7	176.1	179.2	62.5	0	0	0	111.2	S514 K515 L516 E520 S521 L522	S514-L518 PolarHBondContact O-N 3.44Å; S514-L518 VanDerWaalsContact O-N 3.12Å; K515-L518 PolarHBondContact O-N 3.25Å; L516-L518 VanDerWaalsContact C-N 3.29Å; L516-L518 PolarHBondContact O-N 3.13Å; L518-E520 PolarHBondContact O-N 3.31Å; L518-S521 PolarHBondContact O-N 3.41Å; L518-S521 PolarHBondContact O-OG 3.01Å; L518-L522 HydrophobicContact CD1-CD1 4.24Å; L518-L522 HydrophobicContact CG-CD1 4.3Å; L518-L522 WeakPolarHBondContact O-CG 3.35Å; L518-L522 PolarHBondContact O-N 3.16Å; L518-L522 VanDerWaalsContact O-N 3.17Å
519	A	98	Very high	98.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.7	-44.7	178.6	0	0	0	0	0	111.8	I158 K515 L516 S521 L522 N523 Q524 A526	I158-A519 HydrophobicContact CD1-CB 4.25Å; K515-A519 WeakPolarHBondContact O-CB 3.4Å; K515-A519 PolarHBondContact O-N 3.46Å; L516-A519 PolarHBondContact O-N 2.69Å; A519-S521 PolarHBondContact O-N 3.32Å; A519-L522 CarbonylContact O-C 3.49Å; A519-L522 PolarHBondContact O-N 2.88Å; A519-L522 VanDerWaalsContact O-N 3.1Å; A519-N523 PolarHBondContact O-N 3.03Å; A519-N523 VanDerWaalsContact O-N 3.1Å; A519-Q524 CarbonylContact C-O 3.14Å; A519-Q524 WeakPolarHBondContact CB-O 3.35Å; A519-Q524 PolarHBondContact O-N 3.31Å; A519-A526 HydrophobicContact CB-CB 4.21Å
520	E	96.8	Very high	98.3	Very high	68 Å²	68	46.7 Å²	46.7	32%	0.318	24%	0.235	S	C	.	.	H	α-helix	trans	-62.7	-40.2	175.8	-71.8	-172.2	121.9	0	0	112.3	T124 K125 L516 L518 L522 N523	T124-E520 VanDerWaalsContact CA-OE1 3.24Å; T124-E520 WeakPolarHBondContact CA-OE1 3.3Å; T124-E520 WeakPolarHBondContact CB-OE1 3.46Å; T124-E520 HydrophobicContact CG2-CG 4.2Å; K125-E520 PolarHBondContact N-OE1 3.36Å; L516-E520 WeakPolarHBondContact O-CG 3.31Å; L516-E520 PolarHBondContact O-N 2.81Å; L518-E520 PolarHBondContact O-N 3.31Å; E520-L522 PolarHBondContact O-N 3.14Å; E520-N523 PolarHBondContact O-N 3.24Å
521	S	97.8	Very high	98.2	Very high	89 Å²	89	39.5 Å²	39.5	62%	0.622	21%	0.211	S	C	*	.	H	α-helix	trans	-62.8	-24.1	175.7	78.1	0	0	0	0	113.3	K517 L518 A519	K517-S521 WeakPolarHBondContact O-CB 3.33Å; K517-S521 PolarHBondContact O-N 2.85Å; L518-S521 PolarHBondContact O-N 3.41Å; L518-S521 PolarHBondContact O-OG 3.01Å; A519-S521 PolarHBondContact O-N 3.32Å
522	L	97.8	Very high	98.1	Very high	92 Å²	92	37.3 Å²	37.3	48%	0.482	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	1.6	175.7	-61.8	174.8	0	0	0	112.7	L518 A519 E520 Q524	L518-L522 HydrophobicContact CD1-CD1 4.24Å; L518-L522 HydrophobicContact CG-CD1 4.3Å; L518-L522 WeakPolarHBondContact O-CG 3.35Å; L518-L522 PolarHBondContact O-N 3.16Å; L518-L522 VanDerWaalsContact O-N 3.17Å; A519-L522 CarbonylContact O-C 3.49Å; A519-L522 PolarHBondContact O-N 2.88Å; A519-L522 VanDerWaalsContact O-N 3.1Å; E520-L522 PolarHBondContact O-N 3.14Å; L522-Q524 HydrophobicContact CB-CB 4.34Å; L522-Q524 HydrophobicContact CB-CG 4.06Å; L522-Q524 PolarHBondContact O-N 3.41Å
523	N	98.1	Very high	97.8	Very high	123 Å²	123	38.8 Å²	38.8	66%	0.658	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	42.9	-171.4	-170.9	54	0	0	0	112.3	A519 E520	A519-N523 PolarHBondContact O-N 3.03Å; A519-N523 VanDerWaalsContact O-N 3.1Å; E520-N523 PolarHBondContact O-N 3.24Å
524	Q	98.4	Very high	97.6	Very high	43 Å²	43	37.7 Å²	37.7	20%	0.201	21%	0.208	C	C	.	.			trans	-117.9	149.5	-178.1	-74.6	-176.1	-44.5	0	0	111.2	D157 I158 A519 L522	D157-Q524 HydrophobicContact CB-CB 3.91Å; D157-Q524 HydrophobicContact CB-CG 4.02Å; I158-Q524 HydrophobicContact CD1-CB 4.13Å; A519-Q524 CarbonylContact C-O 3.14Å; A519-Q524 WeakPolarHBondContact CB-O 3.35Å; A519-Q524 PolarHBondContact O-N 3.31Å; L522-Q524 HydrophobicContact CB-CB 4.34Å; L522-Q524 HydrophobicContact CB-CG 4.06Å; L522-Q524 PolarHBondContact O-N 3.41Å
525	S	98.4	Very high	97.4	Very high	8 Å²	8	35.9 Å²	35.9	6%	0.056	20%	0.195	C	C	.	.			trans	-94.8	137.7	175.4	53.8	0	0	0	0	110.6	T127 S156 D157 I158	T127-S525 VanDerWaalsContact O-CB 3.28Å; T127-S525 WeakPolarHBondContact O-CB 3.34Å; S156-S525 WeakPolarHBondContact CA-OG 3.15Å; D157-S525 PolarHBondContact N-O 2.9Å; D157-S525 PolarHBondContact N-OG 3.1Å; D157-S525 PolarHBondContact OD2-N 2.95Å; D157-S525 PolarHBondContact OD2-OG 3.47Å; I158-S525 PolarHBondContact N-O 3.35Å
526	A	98.7	Very high	96.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	144.8	178.5	0	0	0	0	0	111.5	S128 F129 I158 Y160 A519 F528	S128-A526 CarbonylContact C-O 3.56Å; S128-A526 WeakPolarHBondContact CA-O 3.2Å; S128-A526 WeakPolarHBondContact CB-O 3.18Å; S128-A526 PolarHBondContact OG-N 3.27Å; S128-A526 VanDerWaalsContact OG-N 3.08Å; F129-A526 PolarHBondContact N-O 3.43Å; I158-A526 CarbonylContact O-C 3.56Å; I158-A526 WeakPolarHBondContact O-CA 3.49Å; Y160-A526 HydrophobicContact CD2-CB 4.37Å; Y160-A526 HydrophobicContact CE2-CB 4.29Å; A519-A526 HydrophobicContact CB-CB 4.21Å; A526-F528 HydrophobicContact CB-CD2 4.31Å; A526-F528 HydrophobicContact CB-CE2 3.51Å; A526-F528 HydrophobicContact CB-CZ 3.93Å
527	F	98.8	Very high	96.1	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.3	170.6	-169.8	-79.8	0	0	0	109	L119 F129 F131 V149 F153 I158 V159 Y160 A529	L119-F527 HydrophobicContact CD1-CE2 4.02Å; L119-F527 HydrophobicContact CD1-CZ 4.34Å; F129-F527 HydrophobicContact CB-CD2 3.73Å; F129-F527 HydrophobicContact CB-CE2 4.12Å; F129-F527 HydrophobicContact CB-CG 4.46Å; F129-F527 HydrophobicContact CD2-CD2 4.44Å; F129-F527 HydrophobicContact CG-CD2 4.31Å; F131-F527 HydrophobicContact CB-CE1 3.55Å; F131-F527 HydrophobicContact CB-CE2 4.31Å; F131-F527 HydrophobicContact CB-CZ 3.36Å; F131-F527 HydrophobicContact CD1-CE1 4.08Å; F131-F527 HydrophobicContact CD1-CZ 4.06Å; F131-F527 HydrophobicContact CG-CE1 4.15Å; F131-F527 AromaticContact CG-CZ 3.83Å; F131-F527 HydrophobicContact CG-CZ 3.83Å; V149-F527 HydrophobicContact CG1-CZ 4.22Å; F153-F527 HydrophobicContact CB-CD2 4.21Å; F153-F527 HydrophobicContact CB-CE2 3.91Å; F153-F527 HydrophobicContact CB-CZ 4.07Å; F153-F527 AromaticContact CD2-CD1 3.96Å; F153-F527 HydrophobicContact CD2-CD1 3.96Å; F153-F527 AromaticContact CD2-CE1 3.95Å; F153-F527 HydrophobicContact CD2-CE1 3.95Å; F153-F527 HydrophobicContact CD2-CG 4.33Å; F153-F527 HydrophobicContact CD2-CZ 4.31Å; I158-F527 PolarHBondContact O-N 2.72Å; V159-F527 CarbonylContact C-O 3.16Å; V159-F527 VanDerWaalsContact CA-O 3.28Å; V159-F527 WeakPolarHBondContact CA-O 3.43Å; V159-F527 HydrophobicContact CG1-CB 4.47Å; V159-F527 HydrophobicContact CG1-CD1 4.2Å; V159-F527 HydrophobicContact CG2-CB 4.41Å; Y160-F527 PolarHBondContact N-O 2.84Å; F527-A529 HydrophobicContact CD1-CB 4.31Å; F527-A529 HydrophobicContact CE1-CB 4.04Å
528	F	98.8	Very high	95	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	115.3	178.5	-60	-97.2	0	0	0	109.2	F129 L130 F131 Y160 V278 I512 K515 L516 A526 L530	F129-F528 WeakPolarHBondContact O-CD2 3.42Å; F129-F528 PolarHBondContact O-N 2.95Å; L130-F528 CarbonylContact C-O 3.44Å; L130-F528 HydrophobicContact CD2-CB 3.81Å; L130-F528 HydrophobicContact CD2-CD2 4.01Å; L130-F528 HydrophobicContact CD2-CG 4.07Å; F131-F528 PolarHBondContact N-O 2.84Å; Y160-F528 HydrophobicContact CD2-CD1 4.05Å; Y160-F528 AromaticContact CD2-CE1 3.52Å; Y160-F528 HydrophobicContact CD2-CE1 3.52Å; Y160-F528 AromaticContact CD2-CZ 3.79Å; Y160-F528 HydrophobicContact CD2-CZ 3.79Å; Y160-F528 HydrophobicContact CE2-CE1 4.34Å; Y160-F528 HydrophobicContact CE2-CZ 4.32Å; Y160-F528 HydrophobicContact CG-CD1 4.18Å; Y160-F528 AromaticContact CG-CE1 3.91Å; Y160-F528 HydrophobicContact CG-CE1 3.91Å; Y160-F528 CarbonylContact O-C 3.42Å; Y160-F528 WeakPolarHBondContact O-CA 3.38Å; V278-F528 HydrophobicContact CG1-CD1 3.89Å; V278-F528 HydrophobicContact CG1-CE1 3.99Å; I512-F528 HydrophobicContact CB-CE1 4.18Å; I512-F528 HydrophobicContact CG1-CD1 3.85Å; I512-F528 HydrophobicContact CG1-CE1 3.93Å; I512-F528 HydrophobicContact CG2-CD1 4.25Å; I512-F528 HydrophobicContact CG2-CE1 3.93Å; I512-F528 HydrophobicContact CG2-CE2 4.23Å; I512-F528 HydrophobicContact CG2-CZ 3.93Å; K515-F528 HydrophobicContact CB-CE1 3.9Å; K515-F528 HydrophobicContact CB-CZ 3.86Å; K515-F528 HydrophobicContact CG-CE1 4.34Å; L516-F528 HydrophobicContact CD2-CE2 3.61Å; L516-F528 HydrophobicContact CD2-CZ 4.05Å; L516-F528 HydrophobicContact CG-CE2 4.06Å; L516-F528 HydrophobicContact CG-CZ 4.06Å; A526-F528 HydrophobicContact CB-CD2 4.31Å; A526-F528 HydrophobicContact CB-CE2 3.51Å; A526-F528 HydrophobicContact CB-CZ 3.93Å; F528-L530 HydrophobicContact CB-CD1 4.37Å; F528-L530 HydrophobicContact CB-CG 4.33Å
529	A	98.7	Very high	94.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	99.4	176.3	0	0	0	0	0	109	T133 Y160 F161 L264 F527	T133-A529 HydrophobicContact CG2-CB 3.88Å; Y160-A529 PolarHBondContact O-N 2.77Å; F161-A529 WeakPolarHBondContact CA-O 2.93Å; F161-A529 HydrophobicContact CD1-CB 3.71Å; F161-A529 HydrophobicContact CE1-CB 3.66Å; L264-A529 HydrophobicContact CD1-CB 4.15Å; F527-A529 HydrophobicContact CD1-CB 4.31Å; F527-A529 HydrophobicContact CE1-CB 4.04Å
530	L	98.4	Very high	93.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	158.2	-174.2	-46.8	173.8	0	0	0	109.3	F131 G132 T133 E162 V278 M508 I512 F528 A532 F535 I542	F131-L530 PolarHBondContact O-N 3.04Å; G132-L530 CarbonylContact C-O 3.58Å; G132-L530 VanDerWaalsContact CA-O 3.24Å; G132-L530 WeakPolarHBondContact CA-O 3.42Å; T133-L530 PolarHBondContact N-O 3.09Å; T133-L530 VanDerWaalsContact OG1-C 3.29Å; T133-L530 PolarHBondContact OG1-O 3.16Å; E162-L530 HydrophobicContact CG-CB 4.24Å; E162-L530 HydrophobicContact CG-CD2 3.74Å; V278-L530 HydrophobicContact CG2-CD2 3.62Å; M508-L530 HydrophobicContact SD-CD1 4.35Å; M508-L530 HydrophobicContact SD-CD2 4.44Å; I512-L530 HydrophobicContact CD1-CD1 3.66Å; F528-L530 HydrophobicContact CB-CD1 4.37Å; F528-L530 HydrophobicContact CB-CG 4.33Å; L530-A532 PolarHBondContact O-N 3.3Å; L530-F535 HydrophobicContact CB-CE2 4.06Å; L530-F535 HydrophobicContact CB-CZ 3.82Å; L530-F535 HydrophobicContact CD1-CE1 4.46Å; L530-F535 HydrophobicContact CD1-CZ 3.98Å; L530-F535 HydrophobicContact CG-CZ 4.2Å; L530-I542 HydrophobicContact CD1-CD1 3.59Å
531	G	96.5	Very high	93.9	Very high	15 Å²	15	33 Å²	33	16%	0.155	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	134	-179	0	0	0	0	0	112.5	T133 E162 A533 H534	T133-G531 PolarHBondContact OG1-N 2.89Å; E162-G531 WeakPolarHBondContact OE1-CA 3.31Å; E162-G531 PolarHBondContact OE1-N 3.24Å; G531-A533 PolarHBondContact O-N 2.88Å; G531-H534 WeakPolarHBondContact O-CB 3.48Å; G531-H534 PolarHBondContact O-CD2 3.1Å; G531-H534 PolarHBondContact O-N 3.38Å
532	A	95.3	Very high	93.9	Very high	6 Å²	6	28.8 Å²	28.8	5%	0.05	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-56.9	-29.8	-174.2	0	0	0	0	0	113.8	F118 T133 Y385 L390 L530 H534 F535 I536	F118-A532 HydrophobicContact CD1-CB 4.48Å; T133-A532 WeakPolarHBondContact O-CB 3.27Å; T133-A532 PolarHBondContact O-N 3.09Å; Y385-A532 HydrophobicContact CE2-CB 4.31Å; L390-A532 HydrophobicContact CD1-CB 3.71Å; L530-A532 PolarHBondContact O-N 3.3Å; A532-H534 PolarHBondContact O-N 2.82Å; A532-F535 PolarHBondContact O-N 3.2Å; A532-I536 HydrophobicContact CB-CD1 4.43Å; A532-I536 WeakPolarHBondContact O-CD1 3.29Å; A532-I536 WeakPolarHBondContact O-CG1 3.5Å
533	A	92.3	Very high	93.9	Very high	31 Å²	31	24.8 Å²	24.8	26%	0.256	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-60.1	-24.1	177	0	0	0	0	0	113.4	I501 G531 F535	I501-A533 HydrophobicContact CD1-CB 3.92Å; G531-A533 PolarHBondContact O-N 2.88Å; A533-F535 PolarHBondContact O-N 3.22Å
534	H	95.9	Very high	93.8	Very high	6 Å²	6	20.7 Å²	20.7	3%	0.028	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-75.3	-11.6	180	-64.8	-63.7	0	0	0	114.1	E162 L500 N505 M508 G531 A532 I542	E162-H534 IonicContact OE1-CD2 3.08Å; E162-H534 PolarHBondContact OE1-CD2 3.36Å; E162-H534 IonicContact OE1-NE2 3.59Å; E162-H534 PolarHBondContact OE1-NE2 3.5Å; L500-H534 PolarHBondContact O-CE1 3.33Å; L500-H534 VanDerWaalsContact O-CE1 3.32Å; N505-H534 WeakPolarHBondContact OD1-CB 3.4Å; N505-H534 PolarHBondContact OD1-ND1 3.45Å; M508-H534 HydrophobicContact CE-CB 4.29Å; M508-H534 WeakPolarHBondContact CE-CE1 3.38Å; M508-H534 WeakPolarHBondContact CE-ND1 3.43Å; G531-H534 WeakPolarHBondContact O-CB 3.48Å; G531-H534 PolarHBondContact O-CD2 3.1Å; G531-H534 PolarHBondContact O-N 3.38Å; A532-H534 PolarHBondContact O-N 2.82Å; H534-I542 HydrophobicContact CB-CD1 3.63Å; H534-I542 HydrophobicContact CB-CG1 4.11Å; H534-I542 PolarHBondContact O-N 3.13Å
535	F	94.7	Very high	93.8	Very high	10 Å²	10	20 Å²	20	4%	0.044	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-111.1	-6.3	-177.2	-54.8	-60.1	0	0	0	113.8	W120 L130 F131 L530 A532 A533 I542 I543	W120-F535 HydrophobicContact CE3-CB 4.41Å; W120-F535 HydrophobicContact CE3-CD2 4.36Å; W120-F535 HydrophobicContact CE3-CG 4.21Å; W120-F535 HydrophobicContact CH2-CB 3.43Å; W120-F535 VanDerWaalsContact CH2-CB 3.43Å; W120-F535 HydrophobicContact CH2-CD2 4.08Å; W120-F535 AromaticContact CH2-CG 3.94Å; W120-F535 HydrophobicContact CH2-CG 3.94Å; W120-F535 HydrophobicContact CZ2-CB 3.9Å; W120-F535 HydrophobicContact CZ3-CB 3.71Å; W120-F535 HydrophobicContact CZ3-CD1 4.45Å; W120-F535 AromaticContact CZ3-CD2 3.59Å; W120-F535 HydrophobicContact CZ3-CD2 3.59Å; W120-F535 HydrophobicContact CZ3-CE2 4.31Å; W120-F535 AromaticContact CZ3-CG 3.66Å; W120-F535 HydrophobicContact CZ3-CG 3.66Å; L130-F535 HydrophobicContact CB-CE1 3.87Å; L130-F535 HydrophobicContact CB-CZ 3.98Å; L130-F535 HydrophobicContact CD1-CD1 4.42Å; L130-F535 HydrophobicContact CD1-CE1 3.97Å; L130-F535 HydrophobicContact CD2-CE1 4.33Å; L130-F535 HydrophobicContact CG-CE1 4.26Å; F131-F535 WeakPolarHBondContact O-CE2 3.29Å; L530-F535 HydrophobicContact CB-CE2 4.06Å; L530-F535 HydrophobicContact CB-CZ 3.82Å; L530-F535 HydrophobicContact CD1-CE1 4.46Å; L530-F535 HydrophobicContact CD1-CZ 3.98Å; L530-F535 HydrophobicContact CG-CZ 4.2Å; A532-F535 PolarHBondContact O-N 3.2Å; A533-F535 PolarHBondContact O-N 3.22Å; F535-I542 HydrophobicContact CD1-CB 4.09Å; F535-I542 HydrophobicContact CD1-CG2 4.4Å; F535-I542 HydrophobicContact CE1-CB 4.01Å; F535-I542 HydrophobicContact CE1-CD1 4.1Å; F535-I542 HydrophobicContact CE1-CG2 3.95Å; F535-I543 HydrophobicContact CB-CD1 4.05Å; F535-I543 HydrophobicContact CD1-CD1 4.4Å; F535-I543 HydrophobicContact CD1-CG1 4.11Å
536	I	86.2	Confident	93.8	Very high	26 Å²	26	19.7 Å²	19.7	13%	0.133	14%	0.135	C	C	.	.	S	Bend	trans	-124.4	139.5	-169.7	-50.2	163.7	0	0	0	108.9	F118 L390 L394 A532	F118-I536 HydrophobicContact CD1-CD1 3.99Å; F118-I536 HydrophobicContact CE1-CD1 3.72Å; L390-I536 HydrophobicContact CB-CD1 3.99Å; L390-I536 HydrophobicContact CD1-CD1 3.67Å; L390-I536 HydrophobicContact CG-CD1 4.41Å; L394-I536 HydrophobicContact CD1-CB 3.44Å; L394-I536 VanDerWaalsContact CD1-CB 3.44Å; L394-I536 HydrophobicContact CD1-CD1 3.66Å; L394-I536 HydrophobicContact CD1-CG1 4.16Å; L394-I536 HydrophobicContact CD1-CG2 3.25Å; A532-I536 HydrophobicContact CB-CD1 4.43Å; A532-I536 WeakPolarHBondContact O-CD1 3.29Å; A532-I536 WeakPolarHBondContact O-CG1 3.5Å
537	G	82.4	Confident	93.8	Very high	47 Å²	47	25.5 Å²	25.5	49%	0.485	16%	0.157	S	C	.	.	S	Bend	trans	124.2	-168.6	-171.3	0	0	0	0	0	110.9
538	S	76.1	Confident	93.7	Very high	81 Å²	81	31.6 Å²	31.6	57%	0.566	18%	0.184	S	C	*	.	S	Bend	trans	-128.2	131.3	179.7	54	0	0	0	0	111.3
539	G	80.5	Confident	93.6	Very high	34 Å²	34	34.1 Å²	34.1	35%	0.351	21%	0.205	S	C	.	.	S	Bend	trans	107.2	-32.6	157.2	0	0	0	0	0	116.3	D544	G539-D544 PolarHBondContact N-OD2 3.28Å
540	E	91.5	Very high	93.5	Very high	72 Å²	72	37.1 Å²	37.1	34%	0.336	24%	0.236	S	C	.	.	S	Bend	trans	-147.9	41.3	-178.8	-63.4	-57.4	150.5	0	0	111	V502 N505 D544 H545 K548	V502-E540 HydrophobicContact CG1-CB 4.16Å; V502-E540 HydrophobicContact CG1-CG 4.34Å; N505-E540 WeakPolarHBondContact CB-O 3.3Å; N505-E540 PolarHBondContact ND2-O 3.23Å; E540-D544 PolarHBondContact N-OD2 3.48Å; E540-H545 IonicContact OE2-CE1 3.75Å; E540-H545 PolarHBondContact OE2-CE1 3.33Å; E540-H545 IonicContact OE2-ND1 3.34Å; E540-H545 IonicContact OE2-NE2 2.7Å; E540-H545 PolarHBondContact OE2-NE2 3.12Å; E540-H545 VanDerWaalsContact OE2-NE2 3.16Å; E540-K548 IonicContact OE1-NZ 3.38Å; E540-K548 PolarHBondContact OE1-NZ 3.35Å; E540-K548 IonicContact OE2-NZ 3.84Å; E540-K548 PolarHBondContact OE2-NZ 3.39Å
541	T	96.1	Very high	93.5	Very high	9 Å²	9	38.6 Å²	38.6	6%	0.055	24%	0.242	C	C	.	.	S	Bend	trans	-77.2	162.6	171.5	67.3	0	0	0	0	110.6	I543 D544 H545	T541-I543 PolarHBondContact O-N 3.32Å; T541-I543 VanDerWaalsContact O-N 3.17Å; T541-I543 PolarHBondContact OG1-N 3.12Å; T541-D544 WeakPolarHBondContact CB-OD2 3.41Å; T541-D544 PolarHBondContact N-OD2 2.95Å; T541-D544 WeakPolarHBondContact O-CB 3.39Å; T541-D544 PolarHBondContact O-N 3.01Å; T541-D544 PolarHBondContact OG1-N 3.41Å; T541-D544 PolarHBondContact OG1-OD2 3.3Å; T541-H545 PolarHBondContact O-CD2 3.47Å; T541-H545 VanDerWaalsContact O-CD2 3.22Å; T541-H545 PolarHBondContact O-N 3.41Å; T541-H545 VanDerWaalsContact O-N 3.07Å
542	I	98.1	Very high	93.6	Very high	0 Å²	0	43 Å²	43	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-53.6	-37.5	171	-70.2	179.6	0	0	0	110.8	L130 N505 M508 I512 L530 H534 F535 D544 H545 L546	L130-I542 HydrophobicContact CD1-CG2 4.46Å; N505-I542 HydrophobicContact CB-CG1 4.17Å; M508-I542 HydrophobicContact CB-CD1 4.19Å; M508-I542 HydrophobicContact CE-CD1 3.83Å; M508-I542 HydrophobicContact SD-CD1 4.34Å; I512-I542 HydrophobicContact CD1-CD1 4.04Å; I512-I542 HydrophobicContact CD1-CG2 3.71Å; L530-I542 HydrophobicContact CD1-CD1 3.59Å; H534-I542 HydrophobicContact CB-CD1 3.63Å; H534-I542 HydrophobicContact CB-CG1 4.11Å; H534-I542 PolarHBondContact O-N 3.13Å; F535-I542 HydrophobicContact CD1-CB 4.09Å; F535-I542 HydrophobicContact CD1-CG2 4.4Å; F535-I542 HydrophobicContact CE1-CB 4.01Å; F535-I542 HydrophobicContact CE1-CD1 4.1Å; F535-I542 HydrophobicContact CE1-CG2 3.95Å; I542-D544 VanDerWaalsContact C-N 3.34Å; I542-D544 PolarHBondContact O-N 3.36Å; I542-H545 PolarHBondContact O-N 3.29Å; I542-L546 HydrophobicContact CG2-CD1 3.69Å; I542-L546 HydrophobicContact CG2-CG 4.16Å; I542-L546 WeakPolarHBondContact O-CB 3.47Å; I542-L546 VanDerWaalsContact O-CG 3.22Å; I542-L546 WeakPolarHBondContact O-CG 3.49Å; I542-L546 PolarHBondContact O-N 3.36Å
543	I	97.2	Very high	93.7	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.041	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-43	177.7	-65.2	174.7	0	0	0	111	W120 L130 F535 T541 L546 R547 I553	W120-I543 HydrophobicContact CD2-CD1 3.91Å; W120-I543 HydrophobicContact CG-CD1 4.01Å; W120-I543 HydrophobicContact CZ2-CD1 4.07Å; L130-I543 HydrophobicContact CD1-CG1 4.41Å; F535-I543 HydrophobicContact CB-CD1 4.05Å; F535-I543 HydrophobicContact CD1-CD1 4.4Å; F535-I543 HydrophobicContact CD1-CG1 4.11Å; T541-I543 PolarHBondContact O-N 3.32Å; T541-I543 VanDerWaalsContact O-N 3.17Å; T541-I543 PolarHBondContact OG1-N 3.12Å; I543-L546 PolarHBondContact O-N 3.11Å; I543-R547 WeakPolarHBondContact O-CB 3.48Å; I543-R547 VanDerWaalsContact O-CG 3.29Å; I543-R547 WeakPolarHBondContact O-CG 3.35Å; I543-R547 PolarHBondContact O-N 3.22Å; I543-I553 HydrophobicContact CB-CD1 4.46Å; I543-I553 HydrophobicContact CG1-CG2 4.36Å; I543-I553 HydrophobicContact CG2-CB 4.35Å; I543-I553 HydrophobicContact CG2-CD1 4.18Å; I543-I553 HydrophobicContact CG2-CG2 4.17Å
544	D	97	Very high	93.8	Very high	37 Å²	37	46.3 Å²	46.3	20%	0.198	27%	0.272	C	S	.	.	H	α-helix	trans	-65.2	-46.6	179.6	-61.2	-45.3	0	0	0	111	G539 E540 T541 I542 L546 R547 K548	G539-D544 PolarHBondContact N-OD2 3.28Å; E540-D544 PolarHBondContact N-OD2 3.48Å; T541-D544 WeakPolarHBondContact CB-OD2 3.41Å; T541-D544 PolarHBondContact N-OD2 2.95Å; T541-D544 WeakPolarHBondContact O-CB 3.39Å; T541-D544 PolarHBondContact O-N 3.01Å; T541-D544 PolarHBondContact OG1-N 3.41Å; T541-D544 PolarHBondContact OG1-OD2 3.3Å; I542-D544 VanDerWaalsContact C-N 3.34Å; I542-D544 PolarHBondContact O-N 3.36Å; D544-L546 PolarHBondContact O-N 3.32Å; D544-R547 PolarHBondContact O-N 3.39Å; D544-K548 WeakPolarHBondContact O-CB 3.23Å; D544-K548 VanDerWaalsContact O-CG 3.26Å; D544-K548 WeakPolarHBondContact O-CG 3.47Å; D544-K548 PolarHBondContact O-N 3.27Å
545	H	98.2	Very high	93.8	Very high	29 Å²	29	49.3 Å²	49.3	13%	0.134	29%	0.292	C	S	.	.	H	α-helix	trans	-61.4	-42.7	176.8	-71.6	-73.9	0	0	0	112.8	A509 E540 T541 I542 K548 A549	A509-H545 HydrophobicContact CB-CB 3.39Å; E540-H545 IonicContact OE2-CE1 3.75Å; E540-H545 PolarHBondContact OE2-CE1 3.33Å; E540-H545 IonicContact OE2-ND1 3.34Å; E540-H545 IonicContact OE2-NE2 2.7Å; E540-H545 PolarHBondContact OE2-NE2 3.12Å; E540-H545 VanDerWaalsContact OE2-NE2 3.16Å; T541-H545 PolarHBondContact O-CD2 3.47Å; T541-H545 VanDerWaalsContact O-CD2 3.22Å; T541-H545 PolarHBondContact O-N 3.41Å; T541-H545 VanDerWaalsContact O-N 3.07Å; I542-H545 PolarHBondContact O-N 3.29Å; H545-K548 WeakPolarHBondContact O-CB 3.44Å; H545-K548 PolarHBondContact O-N 3.26Å; H545-A549 PolarHBondContact O-N 3.23Å
546	L	98.4	Very high	93.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-67.9	-35.9	178.3	-70.8	177.5	0	0	0	112.1	L130 I512 I513 L516 I542 I543 D544 A549 G550 Y551 I553	L130-L546 HydrophobicContact CD1-CD1 3.81Å; L130-L546 HydrophobicContact CD2-CD1 4.3Å; I512-L546 HydrophobicContact CB-CD2 4.43Å; I512-L546 HydrophobicContact CG2-CD1 4.07Å; I512-L546 HydrophobicContact CG2-CD2 3.92Å; I513-L546 HydrophobicContact CD1-CD2 4.16Å; I513-L546 HydrophobicContact CG1-CD2 3.5Å; L516-L546 HydrophobicContact CD1-CD2 4.43Å; I542-L546 HydrophobicContact CG2-CD1 3.69Å; I542-L546 HydrophobicContact CG2-CG 4.16Å; I542-L546 WeakPolarHBondContact O-CB 3.47Å; I542-L546 VanDerWaalsContact O-CG 3.22Å; I542-L546 WeakPolarHBondContact O-CG 3.49Å; I542-L546 PolarHBondContact O-N 3.36Å; I543-L546 PolarHBondContact O-N 3.11Å; D544-L546 PolarHBondContact O-N 3.32Å; L546-A549 CarbonylContact O-C 3.6Å; L546-A549 PolarHBondContact O-N 3.12Å; L546-G550 PolarHBondContact O-N 3.01Å; L546-Y551 HydrophobicContact CD2-CD2 4.28Å; L546-Y551 WeakPolarHBondContact O-CB 3.31Å; L546-Y551 PolarHBondContact O-N 2.84Å; L546-I553 HydrophobicContact CB-CD1 3.28Å; L546-I553 HydrophobicContact CB-CG1 4.48Å; L546-I553 HydrophobicContact CD1-CD1 3.89Å; L546-I553 HydrophobicContact CG-CD1 4.24Å
547	R	97.5	Very high	93.7	Very high	122 Å²	122	51.2 Å²	51.2	46%	0.46	31%	0.307	S	S	.	.	H	α-helix	trans	-66	-42.4	171.5	-76.6	173.3	176.4	155.8	0.8	112	I543 D544 A549 G550 I553	I543-R547 WeakPolarHBondContact O-CB 3.48Å; I543-R547 VanDerWaalsContact O-CG 3.29Å; I543-R547 WeakPolarHBondContact O-CG 3.35Å; I543-R547 PolarHBondContact O-N 3.22Å; D544-R547 PolarHBondContact O-N 3.39Å; R547-A549 PolarHBondContact O-N 3.31Å; R547-G550 PolarHBondContact O-N 3.32Å; R547-I553 HydrophobicContact CG-CD1 4.21Å; R547-I553 PolarHBondContact NH2-O 2.95Å
548	K	96.9	Very high	93.6	Very high	130 Å²	130	51.8 Å²	51.8	57%	0.565	30%	0.297	S	S	*	.	H	α-helix	trans	-56.8	-34.4	172.2	-70.9	170.4	-171.9	175.8	0	110.8	E540 D544 H545 G550	E540-K548 IonicContact OE1-NZ 3.38Å; E540-K548 PolarHBondContact OE1-NZ 3.35Å; E540-K548 IonicContact OE2-NZ 3.84Å; E540-K548 PolarHBondContact OE2-NZ 3.39Å; D544-K548 WeakPolarHBondContact O-CB 3.23Å; D544-K548 VanDerWaalsContact O-CG 3.26Å; D544-K548 WeakPolarHBondContact O-CG 3.47Å; D544-K548 PolarHBondContact O-N 3.27Å; H545-K548 WeakPolarHBondContact O-CB 3.44Å; H545-K548 PolarHBondContact O-N 3.26Å; K548-G550 VanDerWaalsContact C-N 3.29Å; K548-G550 PolarHBondContact O-N 3.2Å
549	A	97.1	Very high	93.2	Very high	52 Å²	52	52.4 Å²	52.4	43%	0.43	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	1.3	175	0	0	0	0	0	115.1	I513 H545 L546 R547 Y551	I513-A549 HydrophobicContact CD1-CB 3.51Å; I513-A549 HydrophobicContact CG1-CB 4.27Å; H545-A549 PolarHBondContact O-N 3.23Å; L546-A549 CarbonylContact O-C 3.6Å; L546-A549 PolarHBondContact O-N 3.12Å; R547-A549 PolarHBondContact O-N 3.31Å; A549-Y551 HydrophobicContact CB-CD2 4.25Å; A549-Y551 HydrophobicContact CB-CE2 4.46Å
550	G	97.4	Very high	91.9	Very high	65 Å²	65	58.1 Å²	58.1	67%	0.67	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.1	3.2	174.6	0	0	0	0	0	115.9	L546 R547 K548	L546-G550 PolarHBondContact O-N 3.01Å; R547-G550 PolarHBondContact O-N 3.32Å; K548-G550 VanDerWaalsContact C-N 3.29Å; K548-G550 PolarHBondContact O-N 3.2Å
551	Y	98.2	Very high	89.6	Confident	30 Å²	30	58.9 Å²	58.9	12%	0.118	32%	0.323	C	S	.	.			trans	-78.1	135.4	175.4	-67.9	-83.6	0	0	0	111.5	I122 T124 I513 L516 L546 A549	I122-Y551 HydrophobicContact CG2-CD1 3.66Å; I122-Y551 HydrophobicContact CG2-CE1 4.46Å; I122-Y551 HydrophobicContact CG2-CG 4.09Å; T124-Y551 HydrophobicContact CG2-CD1 4.13Å; T124-Y551 HydrophobicContact CG2-CE1 3.81Å; I513-Y551 HydrophobicContact CG1-CE2 3.97Å; I513-Y551 HydrophobicContact CG2-CE2 4.29Å; L516-Y551 HydrophobicContact CB-CE1 4.39Å; L516-Y551 HydrophobicContact CD1-CD1 4.32Å; L516-Y551 HydrophobicContact CD1-CE1 3.88Å; L516-Y551 HydrophobicContact CD1-CE2 4.16Å; L546-Y551 HydrophobicContact CD2-CD2 4.28Å; L546-Y551 WeakPolarHBondContact O-CB 3.31Å; L546-Y551 PolarHBondContact O-N 2.84Å; A549-Y551 HydrophobicContact CB-CD2 4.25Å; A549-Y551 HydrophobicContact CB-CE2 4.46Å
552	I	98.2	Very high	87.1	Confident	109 Å²	109	66 Å²	66	56%	0.559	36%	0.359	S	S	*	.			trans	-85.6	119.7	170.2	-53.7	170.8	0	0	0	107.8	S123 I554	S123-I552 PolarHBondContact N-O 2.74Å; S123-I552 WeakPolarHBondContact OG-CB 3.47Å; S123-I552 PolarHBondContact OG-N 2.74Å; S123-I552 PolarHBondContact OG-O 2.83Å; I552-I554 HydrophobicContact CG2-CD1 4.31Å; I552-I554 HydrophobicContact CG2-CG1 4.09Å
553	I	97.4	Very high	84.2	Confident	7 Å²	7	77.2 Å²	77.2	4%	0.036	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	118.9	-177.1	-57.1	169.2	0	0	0	109.7	W120 K121 L130 I543 L546 R547	W120-I553 HydrophobicContact CB-CG2 3.71Å; W120-I553 HydrophobicContact CG-CG2 4.18Å; K121-I553 WeakPolarHBondContact O-CA 3.11Å; L130-I553 HydrophobicContact CD1-CG2 4.43Å; I543-I553 HydrophobicContact CB-CD1 4.46Å; I543-I553 HydrophobicContact CG1-CG2 4.36Å; I543-I553 HydrophobicContact CG2-CB 4.35Å; I543-I553 HydrophobicContact CG2-CD1 4.18Å; I543-I553 HydrophobicContact CG2-CG2 4.17Å; L546-I553 HydrophobicContact CB-CD1 3.28Å; L546-I553 HydrophobicContact CB-CG1 4.48Å; L546-I553 HydrophobicContact CD1-CD1 3.89Å; L546-I553 HydrophobicContact CG-CD1 4.24Å; R547-I553 HydrophobicContact CG-CD1 4.21Å; R547-I553 PolarHBondContact NH2-O 2.95Å
554	I	95.5	Very high	81.5	Confident	98 Å²	98	79.3 Å²	79.3	50%	0.503	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	120.4	-173.1	-56	173.9	0	0	0	108.9	W120 K121 I552	W120-I554 CarbonylContact C-O 3.58Å; W120-I554 WeakPolarHBondContact CA-O 3.07Å; K121-I554 PolarHBondContact N-O 2.96Å; K121-I554 PolarHBondContact O-N 3.35Å; I552-I554 HydrophobicContact CG2-CD1 4.31Å; I552-I554 HydrophobicContact CG2-CG1 4.09Å
555	P	94.3	Very high	78.8	Confident	70 Å²	70	85.3 Å²	85.3	46%	0.455	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	137.6	172.7	27.3	-33.3	0	0	0	110	W120 P557	W120-P555 VanDerWaalsContact CD1-CA 3.43Å; P555-P557 VanDerWaalsContact O-CD 3.32Å; P555-P557 WeakPolarHBondContact O-CD 3.37Å
556	V	93.9	Very high	76	Confident	11 Å²	11	93.2 Å²	93.2	7%	0.067	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	114.9	174.6	-177.2	0	0	0	0	107.7	T117 L119 K121 V148	T117-V556 PolarHBondContact OG1-O 2.91Å; L119-V556 HydrophobicContact CB-CB 4.15Å; L119-V556 HydrophobicContact CB-CG2 4.36Å; L119-V556 HydrophobicContact CD2-CB 3.99Å; L119-V556 HydrophobicContact CD2-CG1 4.15Å; L119-V556 HydrophobicContact CD2-CG2 3.84Å; L119-V556 HydrophobicContact CG-CB 4.23Å; L119-V556 HydrophobicContact CG-CG2 3.96Å; L119-V556 PolarHBondContact O-N 3.09Å; K121-V556 HydrophobicContact CD-CG2 4.16Å; K121-V556 HydrophobicContact CG-CG2 3.77Å; V148-V556 HydrophobicContact CG1-CG1 3.89Å; V148-V556 HydrophobicContact CG2-CG1 3.98Å
557	P	86.3	Confident	73.4	Confident	65 Å²	65	103.1 Å²	103.1	42%	0.422	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	152.4	175.4	22.6	-28.9	0	0	0	111.5	Q114 P555 Q559	Q114-P557 HydrophobicContact CG-CB 4.1Å; P555-P557 VanDerWaalsContact O-CD 3.32Å; P555-P557 WeakPolarHBondContact O-CD 3.37Å; P557-Q559 PolarHBondContact O-N 3.35Å
558	Q	80.1	Confident	70.9	Confident	59 Å²	59	99.5 Å²	99.5	28%	0.276	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-58.6	131.2	164.7	174.5	155.8	62.7	0	0	109.8	Q114 K115 T117 D146	Q114-Q558 PolarHBondContact NE2-O 3.49Å; K115-Q558 HydrophobicContact CB-CB 4.49Å; K115-Q558 VanDerWaalsContact CD-OE1 3.3Å; T117-Q558 VanDerWaalsContact CG2-CA 3.49Å; T117-Q558 HydrophobicContact CG2-CB 3.88Å; D146-Q558 WeakPolarHBondContact OD2-CG 3.28Å; D146-Q558 PolarHBondContact OD2-NE2 2.87Å
559	Q	68	Low	68.3	Low	93 Å²	93	97.2 Å²	97.2	44%	0.435	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-82.2	125.2	174.9	-65.6	-174.4	5.8	0	0	109.3	P557 T561	P557-Q559 PolarHBondContact O-N 3.35Å; Q559-T561 PolarHBondContact O-N 2.03Å
560	N	52.8	Low	66.1	Low	154 Å²	154	101 Å²	101	82%	0.824	53%	0.53	S	S	*	.			trans	-77.3	10.1	171.8	-78.1	-11.9	0	0	0	113.2
561	T	42.7	Very low	64	Low	89 Å²	89	98.7 Å²	98.7	55%	0.546	50%	0.502	S	S	.	.			trans	-106.1	110	-165.4	30.6	0	0	0	0	113.6	Q559 R563	Q559-T561 PolarHBondContact O-N 2.03Å; T561-R563 VanDerWaalsContact C-N 3.27Å; T561-R563 PolarHBondContact O-N 3.3Å
562	I	43.9	Very low	61.6	Low	157 Å²	157	99.3 Å²	99.3	81%	0.805	51%	0.511	S	S	*	.	S	Bend	trans	-54.4	87.9	152.2	-56.6	163.7	0	0	0	107.4
563	R	37.5	Very low	59.2	Low	236 Å²	236	100.1 Å²	100.1	89%	0.891	51%	0.512	S	S	*	.			trans	-175.8	16.6	168.7	-107.5	164.6	-157.4	-142.8	6.6	117	T561	T561-R563 VanDerWaalsContact C-N 3.27Å; T561-R563 PolarHBondContact O-N 3.3Å
564	S	40	Very low	56.6	Low	52 Å²	52	105.7 Å²	105.7	36%	0.364	54%	0.538	S	S	.	.			trans	-112.9	35.7	176.7	58.6	0	0	0	0	113.7	E566 I568	S564-E566 VanDerWaalsContact C-N 3.32Å; S564-E566 PolarHBondContact O-N 3.07Å; S564-I568 WeakPolarHBondContact O-CD1 3.13Å; S564-I568 WeakPolarHBondContact O-CG1 3.25Å
565	E	40	Very low	53.8	Low	163 Å²	163	104.3 Å²	104.3	76%	0.762	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-78.7	-10	175.3	-78.8	160.9	175.5	0	0	113.7	R567	E565-R567 PolarHBondContact O-N 3.31Å
566	E	41	Very low	51.2	Low	196 Å²	196	106.6 Å²	106.6	92%	0.916	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-78.3	-4.7	-175	-93.4	-178.9	165.2	0	0	116.2	S564	S564-E566 VanDerWaalsContact C-N 3.32Å; S564-E566 PolarHBondContact O-N 3.07Å
567	R	42.7	Very low	48.2	Very low	208 Å²	208	112.9 Å²	112.9	79%	0.785	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-133.2	12.7	174.9	-79.7	-155.7	-69.8	-149.6	-1.3	116.3	E565 G569	E565-R567 PolarHBondContact O-N 3.31Å; R567-G569 VanDerWaalsContact C-N 3.3Å; R567-G569 PolarHBondContact O-N 3.08Å
568	I	45.1	Very low	45.9	Very low	46 Å²	46	113.9 Å²	113.9	24%	0.236	57%	0.567	C	S	.	*	G	3₁₀ helix	trans	-82	-8.2	-178.2	-62.5	173.6	0	0	0	112.5	P147 S564 E570	P147-I568 HydrophobicContact CB-CD1 3.83Å; P147-I568 HydrophobicContact CG-CD1 4.35Å; S564-I568 WeakPolarHBondContact O-CD1 3.13Å; S564-I568 WeakPolarHBondContact O-CG1 3.25Å; I568-E570 VanDerWaalsContact C-N 3.28Å; I568-E570 PolarHBondContact O-N 3.49Å
569	G	42.3	Very low	43.6	Very low	82 Å²	82	118.4 Å²	118.4	85%	0.845	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-69.7	-1.3	-173.2	0	0	0	0	0	118.2	R567	R567-G569 VanDerWaalsContact C-N 3.3Å; R567-G569 PolarHBondContact O-N 3.08Å
570	E	51.7	Low	41.9	Very low	132 Å²	132	121 Å²	121	62%	0.617	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-97.9	-19.8	-174.9	-73.8	-168.9	174.4	0	0	115.6	R270 I568	R270-E570 PolarHBondContact NH2-O 3.01Å; I568-E570 VanDerWaalsContact C-N 3.28Å; I568-E570 PolarHBondContact O-N 3.49Å
571	I	51.5	Low	41	Very low	16 Å²	16	117 Å²	117	8%	0.082	57%	0.573	C	S	.	*	S	Bend	trans	-99	126.5	178.9	-58.8	169.7	0	0	0	108.5	W142 K150 F153 A154 E267 E573	W142-I571 HydrophobicContact CH2-CG2 3.92Å; W142-I571 HydrophobicContact CZ2-CB 4.44Å; W142-I571 HydrophobicContact CZ2-CG2 3.44Å; W142-I571 VanDerWaalsContact CZ2-CG2 3.44Å; K150-I571 HydrophobicContact CB-CD1 3.98Å; K150-I571 WeakPolarHBondContact O-CD1 3.43Å; F153-I571 HydrophobicContact CD1-CD1 4.12Å; A154-I571 HydrophobicContact CB-CD1 4.33Å; E267-I571 HydrophobicContact CG-CG2 4.17Å; E267-I571 WeakPolarHBondContact OE1-CG2 3.39Å; I571-E573 PolarHBondContact O-N 3.18Å; I571-E573 VanDerWaalsContact O-N 3.08Å
572	S	48.1	Very low	40.4	Very low	43 Å²	43	116.6 Å²	116.6	30%	0.301	57%	0.568	S	S	.	*			trans	-65.8	114.3	-179.8	61.1	0	0	0	0	110.2	E267 E574	E267-S572 PolarHBondContact OE1-N 3.22Å; S572-E574 VanDerWaalsContact C-N 3.29Å
573	E	47.7	Very low	39.8	Very low	126 Å²	126	117 Å²	117	59%	0.589	56%	0.564	S	S	*	*			trans	-76.4	-20.8	168.6	-62.8	-165.1	154	0	0	112.3	I571	I571-E573 PolarHBondContact O-N 3.18Å; I571-E573 VanDerWaalsContact O-N 3.08Å
574	E	43.6	Very low	39.4	Very low	124 Å²	124	110 Å²	110	58%	0.579	54%	0.542	S	S	*	.	S	Bend	trans	-75	127.9	-179.7	-144.9	-175.4	178	0	0	109.7	S572 L576 K577	S572-E574 VanDerWaalsContact C-N 3.29Å; E574-L576 PolarHBondContact O-N 3.21Å; E574-K577 VanDerWaalsContact OE1-CE 3.25Å; E574-K577 WeakPolarHBondContact OE1-CE 3.44Å; E574-K577 IonicContact OE1-NZ 2.74Å; E574-K577 PolarHBondContact OE1-NZ 3.12Å
575	P	36.7	Very low	39	Very low	69 Å²	69	108.5 Å²	108.5	45%	0.448	53%	0.532	S	S	.	.			trans	-54.8	134.8	175.1	-23.8	31.3	0	0	0	110.7	Y138 K577	Y138-P575 WeakPolarHBondContact OH-CA 3.49Å; Y138-P575 WeakPolarHBondContact OH-CB 3.49Å; P575-K577 VanDerWaalsContact C-N 3.33Å; P575-K577 PolarHBondContact O-N 2.91Å
576	L	39.5	Very low	38.6	Very low	118 Å²	118	108.9 Å²	108.9	62%	0.618	53%	0.532	S	S	*	.			trans	-53	100.6	168.3	-80	166.4	0	0	0	107.9	E574 F578	E574-L576 PolarHBondContact O-N 3.21Å; L576-F578 PolarHBondContact O-N 3.26Å
577	K	30.7	Very low	38.1	Very low	142 Å²	142	103.6 Å²	103.6	62%	0.617	51%	0.513	S	S	*	.			trans	-58.1	113.8	-176.1	-76.3	178.5	-177.5	155.6	0	108.9	E574 P575 E579	E574-K577 VanDerWaalsContact OE1-CE 3.25Å; E574-K577 WeakPolarHBondContact OE1-CE 3.44Å; E574-K577 IonicContact OE1-NZ 2.74Å; E574-K577 PolarHBondContact OE1-NZ 3.12Å; P575-K577 VanDerWaalsContact C-N 3.33Å; P575-K577 PolarHBondContact O-N 2.91Å; K577-E579 PolarHBondContact O-N 3.42Å
578	F	37.6	Very low	37.5	Very low	87 Å²	87	96.5 Å²	96.5	38%	0.382	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	5.5	-178.9	-155.6	-104.3	0	0	0	113.4	G256 L576 K580 F581	G256-F578 VanDerWaalsContact O-CE2 3.26Å; G256-F578 WeakPolarHBondContact O-CE2 3.29Å; L576-F578 PolarHBondContact O-N 3.26Å; F578-K580 PolarHBondContact O-N 3.46Å; F578-F581 HydrophobicContact CD1-CB 3.46Å; F578-F581 VanDerWaalsContact CD1-CB 3.46Å; F578-F581 HydrophobicContact CD1-CG 4.29Å; F578-F581 HydrophobicContact CD2-CB 4.43Å; F578-F581 HydrophobicContact CE1-CB 3.16Å; F578-F581 HydrophobicContact CE1-CD1 4.07Å; F578-F581 HydrophobicContact CE1-CD2 4.13Å; F578-F581 AromaticContact CE1-CG 3.55Å; F578-F581 HydrophobicContact CE1-CG 3.55Å; F578-F581 HydrophobicContact CE2-CB 4.17Å; F578-F581 AromaticContact CE2-CD2 3.82Å; F578-F581 HydrophobicContact CE2-CD2 3.82Å; F578-F581 HydrophobicContact CE2-CE2 4.48Å; F578-F581 HydrophobicContact CE2-CG 4.1Å; F578-F581 HydrophobicContact CG-CB 4.11Å; F578-F581 HydrophobicContact CZ-CB 3.55Å; F578-F581 AromaticContact CZ-CD1 3.99Å; F578-F581 HydrophobicContact CZ-CD1 3.99Å; F578-F581 AromaticContact CZ-CD2 3.56Å; F578-F581 HydrophobicContact CZ-CD2 3.56Å; F578-F581 HydrophobicContact CZ-CE2 4.23Å; F578-F581 AromaticContact CZ-CG 3.42Å; F578-F581 HydrophobicContact CZ-CG 3.42Å; F578-F581 VanDerWaalsContact CZ-CG 3.42Å; F578-F581 PolarHBondContact O-N 2.94Å
579	E	33	Very low	37	Very low	154 Å²	154	97.2 Å²	97.2	72%	0.72	50%	0.496	S	S	*	.	H	α-helix	trans	-50.8	-30.3	-179.5	-83.5	-169.1	143.4	0	0	113.4	K577 F581 N582	K577-E579 PolarHBondContact O-N 3.42Å; E579-F581 VanDerWaalsContact C-N 3.28Å; E579-F581 PolarHBondContact O-N 3.48Å; E579-N582 PolarHBondContact O-N 3.33Å
580	K	31.6	Very low	36.5	Very low	147 Å²	147	100.3 Å²	100.3	64%	0.639	49%	0.494	S	S	*	.	H	α-helix	trans	-66.6	-28.8	178.6	-127.2	-176.2	178.5	-163.9	0	112.9	F578 K583 M584	F578-K580 PolarHBondContact O-N 3.46Å; K580-K583 PolarHBondContact O-N 3.25Å; K580-M584 PolarHBondContact O-N 3.44Å; K580-M584 VanDerWaalsContact O-N 3.15Å
581	F	33.7	Very low	35.4	Very low	69 Å²	69	97.1 Å²	97.1	30%	0.303	48%	0.476	S	S	.	.	H	α-helix	trans	-75.5	-33	178.8	-124.8	-83.4	0	0	0	112.5	F578 E579 K583 M584 S585	F578-F581 HydrophobicContact CD1-CB 3.46Å; F578-F581 VanDerWaalsContact CD1-CB 3.46Å; F578-F581 HydrophobicContact CD1-CG 4.29Å; F578-F581 HydrophobicContact CD2-CB 4.43Å; F578-F581 HydrophobicContact CE1-CB 3.16Å; F578-F581 HydrophobicContact CE1-CD1 4.07Å; F578-F581 HydrophobicContact CE1-CD2 4.13Å; F578-F581 AromaticContact CE1-CG 3.55Å; F578-F581 HydrophobicContact CE1-CG 3.55Å; F578-F581 HydrophobicContact CE2-CB 4.17Å; F578-F581 AromaticContact CE2-CD2 3.82Å; F578-F581 HydrophobicContact CE2-CD2 3.82Å; F578-F581 HydrophobicContact CE2-CE2 4.48Å; F578-F581 HydrophobicContact CE2-CG 4.1Å; F578-F581 HydrophobicContact CG-CB 4.11Å; F578-F581 HydrophobicContact CZ-CB 3.55Å; F578-F581 AromaticContact CZ-CD1 3.99Å; F578-F581 HydrophobicContact CZ-CD1 3.99Å; F578-F581 AromaticContact CZ-CD2 3.56Å; F578-F581 HydrophobicContact CZ-CD2 3.56Å; F578-F581 HydrophobicContact CZ-CE2 4.23Å; F578-F581 AromaticContact CZ-CG 3.42Å; F578-F581 HydrophobicContact CZ-CG 3.42Å; F578-F581 VanDerWaalsContact CZ-CG 3.42Å; F578-F581 PolarHBondContact O-N 2.94Å; E579-F581 VanDerWaalsContact C-N 3.28Å; E579-F581 PolarHBondContact O-N 3.48Å; F581-K583 PolarHBondContact O-N 3.01Å; F581-M584 HydrophobicContact CD2-CE 4.19Å; F581-M584 HydrophobicContact CE2-CE 3.95Å; F581-M584 HydrophobicContact CZ-CE 4.13Å; F581-M584 CarbonylContact O-C 3.45Å; F581-M584 PolarHBondContact O-N 3Å; F581-M584 VanDerWaalsContact O-N 3.16Å; F581-S585 WeakPolarHBondContact O-CB 3.44Å; F581-S585 PolarHBondContact O-N 3.01Å; F581-S585 PolarHBondContact O-OG 3.48Å; F581-S585 VanDerWaalsContact O-OG 3.12Å
582	N	29.7	Very low	34.5	Very low	81 Å²	81	102.3 Å²	102.3	43%	0.433	50%	0.504	S	S	.	.	H	α-helix	trans	-64.3	-28.1	173.3	-94	-14.9	0	0	0	112.7	E579 S585 K586	E579-N582 PolarHBondContact O-N 3.33Å; N582-S585 WeakPolarHBondContact CA-OG 3.5Å; N582-S585 PolarHBondContact O-OG 3.1Å; N582-K586 VanDerWaalsContact O-CG 3.31Å; N582-K586 WeakPolarHBondContact O-CG 3.5Å; N582-K586 PolarHBondContact O-N 3.17Å
583	K	32.8	Very low	34	Very low	166 Å²	166	107.9 Å²	107.9	72%	0.722	53%	0.525	S	S	*	.	H	α-helix	trans	-77.8	-36.7	173.6	-143.8	174	-172.4	175.6	0	111.7	K580 F581 T587	K580-K583 PolarHBondContact O-N 3.25Å; F581-K583 PolarHBondContact O-N 3.01Å; K583-T587 PolarHBondContact O-N 3.02Å; K583-T587 PolarHBondContact O-OG1 2.97Å
584	M	27.9	Very low	33.4	Very low	88 Å²	88	104.1 Å²	104.1	43%	0.433	51%	0.509	S	S	.	.	H	α-helix	trans	-74.6	-41	178.8	-160.4	151.5	65	0	0	112.2	K580 F581 T587 L588	K580-M584 PolarHBondContact O-N 3.44Å; K580-M584 VanDerWaalsContact O-N 3.15Å; F581-M584 HydrophobicContact CD2-CE 4.19Å; F581-M584 HydrophobicContact CE2-CE 3.95Å; F581-M584 HydrophobicContact CZ-CE 4.13Å; F581-M584 CarbonylContact O-C 3.45Å; F581-M584 PolarHBondContact O-N 3Å; F581-M584 VanDerWaalsContact O-N 3.16Å; M584-T587 CarbonylContact O-C 3.46Å; M584-T587 PolarHBondContact O-N 3.37Å; M584-L588 HydrophobicContact CB-CD1 4.43Å; M584-L588 HydrophobicContact CG-CD1 3.66Å; M584-L588 HydrophobicContact CG-CG 4.28Å; M584-L588 WeakPolarHBondContact O-CB 3.39Å; M584-L588 WeakPolarHBondContact O-CD1 3.48Å; M584-L588 WeakPolarHBondContact O-CG 3.46Å; M584-L588 PolarHBondContact O-N 2.96Å
585	S	31.8	Very low	33.2	Very low	22 Å²	22	101.7 Å²	101.7	15%	0.154	51%	0.505	C	S	.	.	H	α-helix	trans	-62.6	-43	175.4	66.2	0	0	0	0	111.7	F581 N582 T587 L588 V589	F581-S585 WeakPolarHBondContact O-CB 3.44Å; F581-S585 PolarHBondContact O-N 3.01Å; F581-S585 PolarHBondContact O-OG 3.48Å; F581-S585 VanDerWaalsContact O-OG 3.12Å; N582-S585 WeakPolarHBondContact CA-OG 3.5Å; N582-S585 PolarHBondContact O-OG 3.1Å; S585-T587 PolarHBondContact O-N 2.83Å; S585-L588 PolarHBondContact O-N 3.46Å; S585-V589 WeakPolarHBondContact O-CB 3.4Å; S585-V589 WeakPolarHBondContact O-CG2 3.35Å; S585-V589 PolarHBondContact O-N 3.28Å
586	K	31.3	Very low	33.4	Very low	171 Å²	171	101.9 Å²	101.9	74%	0.743	51%	0.505	S	S	*	.	H	α-helix	trans	-60.5	-28.1	172.6	-77	-179.4	-179.7	-179.5	0	113.3	N582	N582-K586 VanDerWaalsContact O-CG 3.31Å; N582-K586 WeakPolarHBondContact O-CG 3.5Å; N582-K586 PolarHBondContact O-N 3.17Å
587	T	30.7	Very low	33.4	Very low	85 Å²	85	99.2 Å²	99.2	52%	0.521	50%	0.496	S	S	.	.	H	α-helix	trans	-86.2	-34.5	177.4	-47.9	0	0	0	0	112	K583 M584 S585 Y591	K583-T587 PolarHBondContact O-N 3.02Å; K583-T587 PolarHBondContact O-OG1 2.97Å; M584-T587 CarbonylContact O-C 3.46Å; M584-T587 PolarHBondContact O-N 3.37Å; S585-T587 PolarHBondContact O-N 2.83Å; T587-Y591 WeakPolarHBondContact O-CD2 3.48Å
588	L	29.8	Very low	33.8	Very low	58 Å²	58	97 Å²	97	30%	0.304	49%	0.491	S	S	.	.	H	α-helix	trans	-76	-32.3	-178.3	-74.9	162.3	0	0	0	113.2	M584 S585 N590 Y591 M599	M584-L588 HydrophobicContact CB-CD1 4.43Å; M584-L588 HydrophobicContact CG-CD1 3.66Å; M584-L588 HydrophobicContact CG-CG 4.28Å; M584-L588 WeakPolarHBondContact O-CB 3.39Å; M584-L588 WeakPolarHBondContact O-CD1 3.48Å; M584-L588 WeakPolarHBondContact O-CG 3.46Å; M584-L588 PolarHBondContact O-N 2.96Å; S585-L588 PolarHBondContact O-N 3.46Å; L588-N590 PolarHBondContact O-N 2.94Å; L588-Y591 PolarHBondContact O-N 3.4Å; L588-M599 HydrophobicContact CD2-CE 3.22Å
589	V	35.1	Very low	33.7	Very low	61 Å²	61	94.9 Å²	94.9	37%	0.37	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.2	-177.6	171.4	0	0	0	0	112.7	V219 S585 Y591	V219-V589 HydrophobicContact CG1-CB 4.14Å; V219-V589 HydrophobicContact CG1-CG1 3.92Å; V219-V589 HydrophobicContact CG1-CG2 3.26Å; S585-V589 WeakPolarHBondContact O-CB 3.4Å; S585-V589 WeakPolarHBondContact O-CG2 3.35Å; S585-V589 PolarHBondContact O-N 3.28Å; V589-Y591 PolarHBondContact O-N 3.28Å
590	N	31.4	Very low	34.2	Very low	148 Å²	148	92.2 Å²	92.2	79%	0.791	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	3.6	173	-124	0.5	0	0	0	113.8	L588	L588-N590 PolarHBondContact O-N 2.94Å
591	Y	30.2	Very low	34.9	Very low	64 Å²	64	91.9 Å²	91.9	25%	0.251	48%	0.476	S	S	.	.			trans	-119.7	55.2	-179	-70.6	-75.1	0	0	0	112.1	T587 L588 V589 H593 I594 L669	T587-Y591 WeakPolarHBondContact O-CD2 3.48Å; L588-Y591 PolarHBondContact O-N 3.4Å; V589-Y591 PolarHBondContact O-N 3.28Å; Y591-H593 PolarHBondContact O-N 2.86Å; Y591-I594 HydrophobicContact CD1-CD1 4.11Å; Y591-L669 HydrophobicContact CD1-CB 4.29Å; Y591-L669 HydrophobicContact CD1-CD2 4.24Å; Y591-L669 HydrophobicContact CE1-CB 3.6Å; Y591-L669 HydrophobicContact CE1-CD1 4.27Å; Y591-L669 HydrophobicContact CE1-CD2 4.35Å; Y591-L669 HydrophobicContact CE1-CG 4.3Å; Y591-L669 HydrophobicContact CE2-CD1 4.36Å
592	N	32.4	Very low	35.4	Very low	125 Å²	125	92.5 Å²	92.5	67%	0.668	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	20.6	-179.8	-80.6	-5.2	0	0	0	115.9
593	H	37.2	Very low	36.1	Very low	161 Å²	161	91.5 Å²	91.5	75%	0.745	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.7	17.7	-178.9	-79.4	-68.2	0	0	0	115.8	Y591 L676	Y591-H593 PolarHBondContact O-N 2.86Å; H593-L676 HydrophobicContact CB-CD1 4.24Å
594	I	34.6	Very low	36.7	Very low	47 Å²	47	85.8 Å²	85.8	24%	0.241	46%	0.46	C	S	.	.	S	Bend	trans	-120	130.1	-179.1	-62.5	154.7	0	0	0	110.6	Y591 T596 M599 L669	Y591-I594 HydrophobicContact CD1-CD1 4.11Å; I594-T596 PolarHBondContact O-N 3Å; I594-T596 VanDerWaalsContact O-N 3.16Å; I594-M599 HydrophobicContact CB-SD 4.2Å; I594-M599 HydrophobicContact CG2-CG 3.98Å; I594-M599 HydrophobicContact CG2-SD 4.3Å; I594-L669 HydrophobicContact CD1-CD2 3.06Å; I594-L669 HydrophobicContact CD1-CG 4.44Å; I594-L669 HydrophobicContact CG1-CD2 4.42Å
595	S	40	Very low	37.7	Very low	72 Å²	72	88.2 Å²	88.2	50%	0.503	47%	0.468	S	S	.	.			trans	-49.5	119.7	176.3	176.2	0	0	0	0	111.1	S597 N598 M599	S595-S597 PolarHBondContact O-N 2.77Å; S595-S597 VanDerWaalsContact O-N 3.1Å; S595-N598 PolarHBondContact O-N 3.27Å; S595-N598 VanDerWaalsContact O-N 3.13Å; S595-M599 PolarHBondContact O-N 2.95Å
596	T	40.7	Very low	38.6	Very low	73 Å²	73	89.5 Å²	89.5	45%	0.448	47%	0.473	S	S	.	.	H	α-helix	trans	-57.1	-25.9	-176.9	50	0	0	0	0	112.8	K230 I594 N598 M599 V600	K230-T596 PolarHBondContact NZ-OG1 3.39Å; I594-T596 PolarHBondContact O-N 3Å; I594-T596 VanDerWaalsContact O-N 3.16Å; T596-N598 PolarHBondContact O-N 3.09Å; T596-M599 PolarHBondContact O-N 3.09Å; T596-V600 WeakPolarHBondContact O-CB 3.4Å; T596-V600 VanDerWaalsContact O-CG2 3.29Å; T596-V600 WeakPolarHBondContact O-CG2 3.15Å; T596-V600 PolarHBondContact O-N 3.23Å
597	S	38.8	Very low	39.6	Very low	62 Å²	62	86.9 Å²	86.9	43%	0.434	47%	0.466	S	S	.	.	H	α-helix	trans	-66.6	-37.4	179.1	88	0	0	0	0	112.6	S595 K601	S595-S597 PolarHBondContact O-N 2.77Å; S595-S597 VanDerWaalsContact O-N 3.1Å; S597-K601 WeakPolarHBondContact O-CB 3.44Å; S597-K601 WeakPolarHBondContact O-CG 3.23Å; S597-K601 PolarHBondContact O-N 3.38Å
598	N	40.2	Very low	40.6	Very low	96 Å²	96	84.7 Å²	84.7	51%	0.513	46%	0.457	S	S	.	.	H	α-helix	trans	-72.5	-35	175	-79.2	-20.7	0	0	0	111.3	S595 T596 Q602	S595-N598 PolarHBondContact O-N 3.27Å; S595-N598 VanDerWaalsContact O-N 3.13Å; T596-N598 PolarHBondContact O-N 3.09Å; N598-Q602 WeakPolarHBondContact O-CB 3.43Å; N598-Q602 WeakPolarHBondContact O-CG 3.44Å; N598-Q602 PolarHBondContact O-N 2.82Å
599	M	35.3	Very low	41.5	Very low	43 Å²	43	83.6 Å²	83.6	21%	0.212	45%	0.451	C	S	.	.	H	α-helix	trans	-68.5	-41.7	175.4	-69.2	-177.3	63.1	0	0	112.4	L588 I594 S595 T596 Q602 S603	L588-M599 HydrophobicContact CD2-CE 3.22Å; I594-M599 HydrophobicContact CB-SD 4.2Å; I594-M599 HydrophobicContact CG2-CG 3.98Å; I594-M599 HydrophobicContact CG2-SD 4.3Å; S595-M599 PolarHBondContact O-N 2.95Å; T596-M599 PolarHBondContact O-N 3.09Å; M599-Q602 PolarHBondContact O-N 2.88Å; M599-S603 WeakPolarHBondContact O-CB 3.39Å; M599-S603 PolarHBondContact O-N 3.48Å; M599-S603 PolarHBondContact O-OG 3.36Å
600	V	43.4	Very low	42.4	Very low	98 Å²	98	83.6 Å²	83.6	59%	0.594	45%	0.447	S	S	*	.	H	α-helix	trans	-63.3	-47	174.3	171.5	0	0	0	0	109.7	T596 Q602 S603 S604	T596-V600 WeakPolarHBondContact O-CB 3.4Å; T596-V600 VanDerWaalsContact O-CG2 3.29Å; T596-V600 WeakPolarHBondContact O-CG2 3.15Å; T596-V600 PolarHBondContact O-N 3.23Å; V600-Q602 VanDerWaalsContact C-N 3.32Å; V600-Q602 PolarHBondContact O-N 2.91Å; V600-S603 PolarHBondContact O-N 3.02Å; V600-S604 WeakPolarHBondContact O-CB 3.35Å; V600-S604 PolarHBondContact O-N 3.41Å; V600-S604 PolarHBondContact O-OG 2.99Å
601	K	46	Very low	43.5	Very low	140 Å²	140	78.6 Å²	78.6	61%	0.609	42%	0.422	S	S	*	.	H	α-helix	trans	-59.5	-38.1	175.6	-79.1	179.4	178.6	178.6	0	113.5	S597 S604 K605	S597-K601 WeakPolarHBondContact O-CB 3.44Å; S597-K601 WeakPolarHBondContact O-CG 3.23Å; S597-K601 PolarHBondContact O-N 3.38Å; K601-S604 WeakPolarHBondContact CA-OG 3.27Å; K601-S604 PolarHBondContact O-OG 3.47Å; K601-S604 VanDerWaalsContact O-OG 3.08Å; K601-K605 WeakPolarHBondContact O-CB 3.5Å; K601-K605 WeakPolarHBondContact O-CG 3.47Å; K601-K605 PolarHBondContact O-N 3.16Å
602	Q	44.4	Very low	44.7	Very low	82 Å²	82	80 Å²	80	38%	0.383	43%	0.434	S	S	.	.	H	α-helix	trans	-76.3	-38.9	177.6	-72.9	-73.9	-1.8	0	0	111.8	N598 M599 V600 K605 L606 N665	N598-Q602 WeakPolarHBondContact O-CB 3.43Å; N598-Q602 WeakPolarHBondContact O-CG 3.44Å; N598-Q602 PolarHBondContact O-N 2.82Å; M599-Q602 PolarHBondContact O-N 2.88Å; V600-Q602 VanDerWaalsContact C-N 3.32Å; V600-Q602 PolarHBondContact O-N 2.91Å; Q602-K605 PolarHBondContact O-N 3.38Å; Q602-L606 WeakPolarHBondContact O-CB 3.18Å; Q602-L606 PolarHBondContact O-N 3.21Å; Q602-N665 PolarHBondContact OE1-ND2 2.95Å
603	S	44.5	Very low	45.9	Very low	60 Å²	60	76.8 Å²	76.8	42%	0.42	42%	0.416	S	S	.	.	H	α-helix	trans	-67.6	-38.5	177.4	-58.1	0	0	0	0	111.3	M599 V600 L606 L607	M599-S603 WeakPolarHBondContact O-CB 3.39Å; M599-S603 PolarHBondContact O-N 3.48Å; M599-S603 PolarHBondContact O-OG 3.36Å; V600-S603 PolarHBondContact O-N 3.02Å; S603-L606 PolarHBondContact O-N 2.86Å; S603-L607 VanDerWaalsContact O-CB 3.29Å; S603-L607 WeakPolarHBondContact O-CB 3.28Å; S603-L607 PolarHBondContact O-N 3.38Å
604	S	46.2	Very low	47	Very low	46 Å²	46	75.1 Å²	75.1	32%	0.322	41%	0.406	S	S	.	.	H	α-helix	trans	-68.7	-39	174.1	55.4	0	0	0	0	111.9	V600 K601 L606 L607 A608	V600-S604 WeakPolarHBondContact O-CB 3.35Å; V600-S604 PolarHBondContact O-N 3.41Å; V600-S604 PolarHBondContact O-OG 2.99Å; K601-S604 WeakPolarHBondContact CA-OG 3.27Å; K601-S604 PolarHBondContact O-OG 3.47Å; K601-S604 VanDerWaalsContact O-OG 3.08Å; S604-L606 VanDerWaalsContact C-N 3.34Å; S604-L606 PolarHBondContact O-N 3.22Å; S604-L607 PolarHBondContact O-N 3.01Å; S604-A608 VanDerWaalsContact O-CB 3.29Å; S604-A608 WeakPolarHBondContact O-CB 3.26Å; S604-A608 PolarHBondContact O-N 3.09Å
605	K	48.7	Very low	48.3	Very low	139 Å²	139	79.9 Å²	79.9	60%	0.604	42%	0.422	S	S	*	.	H	α-helix	trans	-60.6	-41.4	169.1	-83	-179.7	179.3	178	0	112.5	K601 Q602 L609	K601-K605 WeakPolarHBondContact O-CB 3.5Å; K601-K605 WeakPolarHBondContact O-CG 3.47Å; K601-K605 PolarHBondContact O-N 3.16Å; Q602-K605 PolarHBondContact O-N 3.38Å; K605-L609 WeakPolarHBondContact O-CG 3.29Å; K605-L609 PolarHBondContact O-N 2.89Å
606	L	50.2	Low	49.2	Very low	49 Å²	49	77.1 Å²	77.1	26%	0.257	40%	0.403	S	S	.	.	H	α-helix	trans	-68.9	-43.2	178.3	-170.8	70.5	0	0	0	111.3	Q602 S603 S604 L609 E610 T658 I662	Q602-L606 WeakPolarHBondContact O-CB 3.18Å; Q602-L606 PolarHBondContact O-N 3.21Å; S603-L606 PolarHBondContact O-N 2.86Å; S604-L606 VanDerWaalsContact C-N 3.34Å; S604-L606 PolarHBondContact O-N 3.22Å; L606-L609 WeakPolarHBondContact O-CB 3.37Å; L606-L609 PolarHBondContact O-N 3Å; L606-E610 PolarHBondContact O-N 3.38Å; L606-T658 HydrophobicContact CD1-CG2 3.88Å; L606-I662 HydrophobicContact CD1-CD1 4.1Å; L606-I662 HydrophobicContact CD1-CG1 3.76Å
607	L	51.2	Low	50.1	Low	115 Å²	115	77.6 Å²	77.6	60%	0.602	40%	0.401	S	S	*	.	H	α-helix	trans	-59	-49.4	175.4	-167.1	82.3	0	0	0	109.9	S603 S604 L609 E610 T611	S603-L607 VanDerWaalsContact O-CB 3.29Å; S603-L607 WeakPolarHBondContact O-CB 3.28Å; S603-L607 PolarHBondContact O-N 3.38Å; S604-L607 PolarHBondContact O-N 3.01Å; L607-L609 VanDerWaalsContact C-N 3.29Å; L607-L609 PolarHBondContact O-N 3.2Å; L607-E610 CarbonylContact O-C 3.55Å; L607-E610 WeakPolarHBondContact O-CA 3.43Å; L607-E610 WeakPolarHBondContact O-CB 3.29Å; L607-E610 PolarHBondContact O-N 2.98Å; L607-T611 PolarHBondContact O-N 3.45Å; L607-T611 PolarHBondContact O-OG1 2.84Å
608	A	52.1	Low	51.3	Low	40 Å²	40	78.7 Å²	78.7	33%	0.331	41%	0.405	S	S	.	.	H	α-helix	trans	-58.1	-38.2	176.2	0	0	0	0	0	112.7	S604 T611 N612	S604-A608 VanDerWaalsContact O-CB 3.29Å; S604-A608 WeakPolarHBondContact O-CB 3.26Å; S604-A608 PolarHBondContact O-N 3.09Å; A608-T611 WeakPolarHBondContact CA-OG1 3.37Å; A608-T611 PolarHBondContact O-OG1 3.48Å; A608-N612 WeakPolarHBondContact O-CB 3.06Å; A608-N612 PolarHBondContact O-N 3.03Å; A608-N612 PolarHBondContact O-ND2 3.45Å; A608-N612 VanDerWaalsContact O-ND2 3.15Å
609	L	49.9	Very low	52.7	Low	34 Å²	34	79.9 Å²	79.9	18%	0.178	41%	0.406	C	S	.	.	H	α-helix	trans	-67.7	-40.8	173.4	-77.3	165.2	0	0	0	112.1	K605 L606 L607 N612 M613	K605-L609 WeakPolarHBondContact O-CG 3.29Å; K605-L609 PolarHBondContact O-N 2.89Å; L606-L609 WeakPolarHBondContact O-CB 3.37Å; L606-L609 PolarHBondContact O-N 3Å; L607-L609 VanDerWaalsContact C-N 3.29Å; L607-L609 PolarHBondContact O-N 3.2Å; L609-N612 PolarHBondContact O-N 3.16Å; L609-M613 WeakPolarHBondContact O-CB 3.45Å; L609-M613 PolarHBondContact O-N 3.44Å
610	E	52.4	Low	54.1	Low	61 Å²	61	78.2 Å²	78.2	29%	0.285	40%	0.398	S	S	.	.	H	α-helix	trans	-64.9	-42	175	-74.7	-164.3	166.1	0	0	111.9	L606 L607 M613 K614	L606-E610 PolarHBondContact O-N 3.38Å; L607-E610 CarbonylContact O-C 3.55Å; L607-E610 WeakPolarHBondContact O-CA 3.43Å; L607-E610 WeakPolarHBondContact O-CB 3.29Å; L607-E610 PolarHBondContact O-N 2.98Å; E610-M613 PolarHBondContact O-N 3.25Å; E610-K614 WeakPolarHBondContact O-CG 3.41Å; E610-K614 PolarHBondContact O-N 3.34Å
611	T	55.7	Low	55.3	Low	44 Å²	44	79.8 Å²	79.8	27%	0.27	40%	0.397	S	S	.	.	H	α-helix	trans	-64.2	-43.3	174.5	12.9	0	0	0	0	111.3	L607 A608 M613 K614 Y615	L607-T611 PolarHBondContact O-N 3.45Å; L607-T611 PolarHBondContact O-OG1 2.84Å; A608-T611 WeakPolarHBondContact CA-OG1 3.37Å; A608-T611 PolarHBondContact O-OG1 3.48Å; T611-M613 VanDerWaalsContact C-N 3.3Å; T611-M613 PolarHBondContact O-N 3.25Å; T611-K614 PolarHBondContact O-N 2.86Å; T611-Y615 WeakPolarHBondContact O-CB 3.29Å; T611-Y615 PolarHBondContact O-N 2.88Å
612	N	55.5	Low	56.5	Low	93 Å²	93	81.8 Å²	81.8	50%	0.497	40%	0.401	S	S	.	.	H	α-helix	trans	-61.5	-37.9	174.5	-75.3	-24.8	0	0	0	112.3	A608 L609 S616	A608-N612 WeakPolarHBondContact O-CB 3.06Å; A608-N612 PolarHBondContact O-N 3.03Å; A608-N612 PolarHBondContact O-ND2 3.45Å; A608-N612 VanDerWaalsContact O-ND2 3.15Å; L609-N612 PolarHBondContact O-N 3.16Å; N612-S616 WeakPolarHBondContact O-CB 3.31Å; N612-S616 PolarHBondContact O-N 3.05Å
613	M	57.5	Low	57.6	Low	57 Å²	57	79.4 Å²	79.4	28%	0.281	39%	0.39	S	S	.	.	H	α-helix	trans	-67.2	-44.4	175	-170.4	177.5	67.8	0	0	111.5	L609 E610 T611 S616 M617	L609-M613 WeakPolarHBondContact O-CB 3.45Å; L609-M613 PolarHBondContact O-N 3.44Å; E610-M613 PolarHBondContact O-N 3.25Å; T611-M613 VanDerWaalsContact C-N 3.3Å; T611-M613 PolarHBondContact O-N 3.25Å; M613-S616 PolarHBondContact O-N 3.46Å; M613-M617 WeakPolarHBondContact O-CG 3.42Å; M613-M617 PolarHBondContact O-N 3.05Å
614	K	59.4	Low	58.8	Low	126 Å²	126	80.5 Å²	80.5	55%	0.548	39%	0.389	S	S	.	.	H	α-helix	trans	-61.7	-43.1	174.8	-75.8	179.4	-178.3	178.6	0	112.2	E610 T611 M617 T618	E610-K614 WeakPolarHBondContact O-CG 3.41Å; E610-K614 PolarHBondContact O-N 3.34Å; T611-K614 PolarHBondContact O-N 2.86Å; K614-M617 PolarHBondContact O-N 2.98Å; K614-T618 PolarHBondContact O-N 3.15Å; K614-T618 PolarHBondContact O-OG1 3.03Å
615	Y	62.7	Low	59.9	Low	148 Å²	148	84.4 Å²	84.4	58%	0.58	40%	0.402	S	S	*	.	H	α-helix	trans	-60.2	-46.8	175.3	177.4	-106.8	0	0	0	110.9	T611 M617 T618 K619	T611-Y615 WeakPolarHBondContact O-CB 3.29Å; T611-Y615 PolarHBondContact O-N 2.88Å; Y615-M617 PolarHBondContact O-N 3.41Å; Y615-T618 PolarHBondContact O-N 3.22Å; Y615-K619 PolarHBondContact O-N 2.92Å
616	S	59.1	Low	60.8	Low	13 Å²	13	81.7 Å²	81.7	9%	0.091	39%	0.394	C	S	.	.	H	α-helix	trans	-59.6	-44.4	174.7	-174.6	0	0	0	0	112.2	N612 M613 T618 K619 T620 Q651	N612-S616 WeakPolarHBondContact O-CB 3.31Å; N612-S616 PolarHBondContact O-N 3.05Å; M613-S616 PolarHBondContact O-N 3.46Å; S616-T618 VanDerWaalsContact C-N 3.33Å; S616-T618 PolarHBondContact O-N 3.41Å; S616-K619 PolarHBondContact O-N 3.28Å; S616-T620 PolarHBondContact O-N 3.11Å; S616-T620 PolarHBondContact O-OG1 3.05Å; S616-T620 VanDerWaalsContact O-OG1 3.09Å; S616-Q651 PolarHBondContact O-NE2 2.87Å; S616-Q651 WeakPolarHBondContact OG-CG 3.32Å; S616-Q651 PolarHBondContact OG-NE2 2.91Å; S616-Q651 VanDerWaalsContact OG-NE2 3.16Å
617	M	59.3	Low	61.4	Low	83 Å²	83	81.7 Å²	81.7	41%	0.409	39%	0.392	S	S	.	.	H	α-helix	trans	-59.6	-42.5	177.3	-77.7	176.7	52.1	0	0	112.2	M613 K614 Y615 T620 K621 Q651	M613-M617 WeakPolarHBondContact O-CG 3.42Å; M613-M617 PolarHBondContact O-N 3.05Å; K614-M617 PolarHBondContact O-N 2.98Å; Y615-M617 PolarHBondContact O-N 3.41Å; M617-T620 PolarHBondContact O-N 3.15Å; M617-K621 PolarHBondContact O-N 2.85Å; M617-Q651 VanDerWaalsContact CA-NE2 3.29Å
618	T	64.8	Low	62.1	Low	85 Å²	85	83.4 Å²	83.4	52%	0.521	40%	0.397	S	S	.	.	H	α-helix	trans	-65.6	-42.7	178.8	-51.4	0	0	0	0	110.8	K614 Y615 S616 T620 K621 R622	K614-T618 PolarHBondContact O-N 3.15Å; K614-T618 PolarHBondContact O-OG1 3.03Å; Y615-T618 PolarHBondContact O-N 3.22Å; S616-T618 VanDerWaalsContact C-N 3.33Å; S616-T618 PolarHBondContact O-N 3.41Å; T618-T620 PolarHBondContact O-N 3.45Å; T618-K621 PolarHBondContact O-N 3.35Å; T618-R622 PolarHBondContact O-N 3.26Å
619	K	68.7	Low	62.8	Low	122 Å²	122	86.5 Å²	86.5	53%	0.53	41%	0.412	S	S	.	.	H	α-helix	trans	-61.4	-40.8	174.3	-169.2	173	-177.1	174.1	0	112.2	Y615 S616 R622 L623	Y615-K619 PolarHBondContact O-N 2.92Å; S616-K619 PolarHBondContact O-N 3.28Å; K619-R622 PolarHBondContact O-N 3.37Å; K619-L623 HydrophobicContact CG-CD1 4.44Å; K619-L623 WeakPolarHBondContact O-CG 3.32Å; K619-L623 PolarHBondContact O-N 3.42Å
620	T	64.3	Low	63.2	Low	7 Å²	7	88.3 Å²	88.3	4%	0.043	42%	0.421	C	S	.	.	H	α-helix	trans	-66.1	-44	175.9	-56.2	0	0	0	0	112.5	S616 M617 T618 R622 L623 Q624 S647 N648 Q651	S616-T620 PolarHBondContact O-N 3.11Å; S616-T620 PolarHBondContact O-OG1 3.05Å; S616-T620 VanDerWaalsContact O-OG1 3.09Å; M617-T620 PolarHBondContact O-N 3.15Å; T618-T620 PolarHBondContact O-N 3.45Å; T620-R622 VanDerWaalsContact C-N 3.28Å; T620-R622 PolarHBondContact O-N 3.5Å; T620-L623 PolarHBondContact O-N 2.88Å; T620-Q624 HydrophobicContact CG2-CG 4.49Å; T620-Q624 WeakPolarHBondContact O-CG 3.45Å; T620-Q624 PolarHBondContact O-N 3.3Å; T620-S647 PolarHBondContact OG1-OG 3.28Å; T620-N648 WeakPolarHBondContact CG2-OD1 3.21Å; T620-Q651 PolarHBondContact OG1-NE2 3.48Å
621	K	68.6	Low	63.5	Low	131 Å²	131	93.3 Å²	93.3	57%	0.57	44%	0.442	S	S	*	.	H	α-helix	trans	-57.5	-42.6	174.7	-78	-175.3	176.4	-174.5	0	111.7	M617 T618 Q624 Q625	M617-K621 PolarHBondContact O-N 2.85Å; T618-K621 PolarHBondContact O-N 3.35Å; K621-Q624 PolarHBondContact O-N 2.99Å; K621-Q625 WeakPolarHBondContact O-CG 3.44Å; K621-Q625 PolarHBondContact O-N 2.91Å
622	R	70.8	Confident	63.8	Low	183 Å²	183	100.2 Å²	100.2	69%	0.691	47%	0.471	S	S	*	.	H	α-helix	trans	-64.9	-40.5	177.3	-155.6	174.1	-173.5	171.1	1.7	111.9	T618 K619 T620 Q625 L626	T618-R622 PolarHBondContact O-N 3.26Å; K619-R622 PolarHBondContact O-N 3.37Å; T620-R622 VanDerWaalsContact C-N 3.28Å; T620-R622 PolarHBondContact O-N 3.5Å; R622-Q625 PolarHBondContact O-N 3.49Å; R622-L626 WeakPolarHBondContact O-CG 3.34Å; R622-L626 PolarHBondContact O-N 2.83Å
623	L	68.4	Low	64.4	Low	32 Å²	32	100 Å²	100	17%	0.168	47%	0.47	C	S	.	.	H	α-helix	trans	-65.2	-38.2	173.9	-73.3	167.8	0	0	0	112.6	K619 T620 L626 Q627 L640 V644	K619-L623 HydrophobicContact CG-CD1 4.44Å; K619-L623 WeakPolarHBondContact O-CG 3.32Å; K619-L623 PolarHBondContact O-N 3.42Å; T620-L623 PolarHBondContact O-N 2.88Å; L623-L626 PolarHBondContact O-N 3.1Å; L623-Q627 PolarHBondContact O-N 3.31Å; L623-L640 HydrophobicContact CD2-CD2 4.44Å; L623-V644 HydrophobicContact CB-CG2 3.94Å
624	Q	69.9	Low	65	Low	82 Å²	82	104.6 Å²	104.6	38%	0.383	49%	0.491	S	S	.	.	H	α-helix	trans	-66.6	-39.6	174.2	-74.5	175	-29.9	0	0	112	T620 K621 L626 Q627 H628 V644	T620-Q624 HydrophobicContact CG2-CG 4.49Å; T620-Q624 WeakPolarHBondContact O-CG 3.45Å; T620-Q624 PolarHBondContact O-N 3.3Å; K621-Q624 PolarHBondContact O-N 2.99Å; Q624-L626 VanDerWaalsContact C-N 3.33Å; Q624-L626 PolarHBondContact O-N 2.76Å; Q624-Q627 WeakPolarHBondContact O-CB 3.41Å; Q624-Q627 PolarHBondContact O-N 3.1Å; Q624-H628 PolarHBondContact O-CD2 3.21Å; Q624-H628 VanDerWaalsContact O-CD2 3.28Å; Q624-H628 PolarHBondContact O-N 3.25Å; Q624-V644 HydrophobicContact CG-CG1 4.41Å
625	Q	69.4	Low	65.6	Low	128 Å²	128	106.6 Å²	106.6	60%	0.598	50%	0.5	S	S	*	.	H	α-helix	trans	-61.8	-42.1	172.9	-75.4	172.4	-22.6	0	0	111.5	K621 R622 Q627 H628 T629	K621-Q625 WeakPolarHBondContact O-CG 3.44Å; K621-Q625 PolarHBondContact O-N 2.91Å; R622-Q625 PolarHBondContact O-N 3.49Å; Q625-Q627 VanDerWaalsContact C-N 3.27Å; Q625-Q627 PolarHBondContact O-N 3.41Å; Q625-H628 PolarHBondContact O-N 2.91Å; Q625-T629 PolarHBondContact O-N 3.03Å; Q625-T629 VanDerWaalsContact O-N 3.16Å
626	L	66.4	Low	65.9	Low	83 Å²	83	103 Å²	103	44%	0.435	49%	0.491	S	S	.	.	H	α-helix	trans	-64.4	-29.3	175.5	-71.5	168.3	0	0	0	113.2	R622 L623 Q624 T629 N630 L640	R622-L626 WeakPolarHBondContact O-CG 3.34Å; R622-L626 PolarHBondContact O-N 2.83Å; L623-L626 PolarHBondContact O-N 3.1Å; Q624-L626 VanDerWaalsContact C-N 3.33Å; Q624-L626 PolarHBondContact O-N 2.76Å; L626-T629 WeakPolarHBondContact CA-OG1 3.01Å; L626-T629 PolarHBondContact O-OG1 3.28Å; L626-T629 VanDerWaalsContact O-OG1 3.12Å; L626-N630 PolarHBondContact O-N 3.21Å; L626-L640 HydrophobicContact CB-CD2 4.26Å
627	Q	63.7	Low	66.3	Low	48 Å²	48	106.8 Å²	106.8	22%	0.224	51%	0.506	C	S	.	.	H	α-helix	trans	-66.3	-38.5	170.5	-76.2	179	-36.6	0	0	112.1	L623 Q624 Q625 L640 V644	L623-Q627 PolarHBondContact O-N 3.31Å; Q624-Q627 WeakPolarHBondContact O-CB 3.41Å; Q624-Q627 PolarHBondContact O-N 3.1Å; Q625-Q627 VanDerWaalsContact C-N 3.27Å; Q625-Q627 PolarHBondContact O-N 3.41Å; Q627-L640 HydrophobicContact CG-CB 3.84Å; Q627-L640 HydrophobicContact CG-CD2 4.11Å; Q627-L640 HydrophobicContact CG-CG 4.43Å; Q627-L640 PolarHBondContact NE2-O 3.41Å; Q627-V644 HydrophobicContact CG-CG2 4.49Å
628	H	65	Low	67	Low	152 Å²	152	109.7 Å²	109.7	70%	0.704	52%	0.517	S	S	*	.	H	α-helix	trans	-71	-31.1	179.1	-78	-66	0	0	0	113.1	Q624 Q625	Q624-H628 PolarHBondContact O-CD2 3.21Å; Q624-H628 VanDerWaalsContact O-CD2 3.28Å; Q624-H628 PolarHBondContact O-N 3.25Å; Q625-H628 PolarHBondContact O-N 2.91Å
629	T	67.4	Low	67.4	Low	105 Å²	105	109 Å²	109	64%	0.644	52%	0.515	S	S	*	.	H	α-helix	trans	-80.2	-32.3	179.2	55.9	0	0	0	0	112.9	Q625 L626 K631	Q625-T629 PolarHBondContact O-N 3.03Å; Q625-T629 VanDerWaalsContact O-N 3.16Å; L626-T629 WeakPolarHBondContact CA-OG1 3.01Å; L626-T629 PolarHBondContact O-OG1 3.28Å; L626-T629 VanDerWaalsContact O-OG1 3.12Å; T629-K631 PolarHBondContact O-N 3.46Å
630	N	58.6	Low	67.3	Low	71 Å²	71	104.2 Å²	104.2	38%	0.38	50%	0.496	S	S	.	.			trans	-90.4	69.4	179.1	-88.3	-32.5	0	0	0	112.4	L626 L640	L626-N630 PolarHBondContact O-N 3.21Å; N630-L640 HydrophobicContact CB-CD1 4.5Å
631	K	58.7	Low	67.7	Low	167 Å²	167	109.9 Å²	109.9	73%	0.726	52%	0.522	S	S	*	.			trans	-76.6	-17.5	174.7	-88.5	-174.5	176.8	-179.7	0	114.9	T629	T629-K631 PolarHBondContact O-N 3.46Å
632	H	61	Low	68.1	Low	189 Å²	189	109.4 Å²	109.4	88%	0.875	53%	0.525	S	S	*	.	S	Bend	trans	-102.8	14.2	-164.4	-81.9	-67.5	0	0	0	116.6
633	N	69.5	Low	68.1	Low	87 Å²	87	105.4 Å²	105.4	47%	0.465	52%	0.516	S	S	.	.			trans	-148.2	95.2	-176.4	-142.2	-20.8	0	0	0	112.7	K635 N636 Q637	N633-K635 VanDerWaalsContact C-N 3.26Å; N633-K635 PolarHBondContact O-N 3.22Å; N633-N636 HydrophobicContact CB-CB 4.23Å; N633-N636 PolarHBondContact O-N 2.87Å; N633-N636 VanDerWaalsContact O-N 3.1Å; N633-Q637 PolarHBondContact O-N 3.48Å
634	E	70.1	Confident	68.2	Low	154 Å²	154	104.4 Å²	104.4	72%	0.72	51%	0.512	S	S	*	.	H	α-helix	trans	-53.5	-38.5	-174.8	-82.5	-166.8	141.1	0	0	113.7	Q637 K638	E634-Q637 WeakPolarHBondContact O-CB 3.46Å; E634-Q637 PolarHBondContact O-N 3.1Å; E634-K638 PolarHBondContact O-N 3.35Å
635	K	72.3	Confident	68.3	Low	169 Å²	169	102.9 Å²	102.9	74%	0.735	51%	0.51	S	S	*	.	H	α-helix	trans	-66.4	-41.4	-179.5	-163.8	175.8	-177.6	179.1	0	111.6	N633 Q637 S639	N633-K635 VanDerWaalsContact C-N 3.26Å; N633-K635 PolarHBondContact O-N 3.22Å; K635-Q637 VanDerWaalsContact C-N 3.31Å; K635-S639 PolarHBondContact O-N 3.32Å; K635-S639 PolarHBondContact O-OG 3.48Å
636	N	67.2	Low	68.3	Low	73 Å²	73	99.4 Å²	99.4	39%	0.39	50%	0.503	S	S	.	.	H	α-helix	trans	-67.2	-36.1	174.1	-71.8	-12.9	0	0	0	111.1	N633 S639 L640	N633-N636 HydrophobicContact CB-CB 4.23Å; N633-N636 PolarHBondContact O-N 2.87Å; N633-N636 VanDerWaalsContact O-N 3.1Å; N636-S639 PolarHBondContact O-N 2.88Å; N636-L640 WeakPolarHBondContact O-CB 3.31Å; N636-L640 WeakPolarHBondContact O-CD1 3.44Å; N636-L640 PolarHBondContact O-N 3.18Å
637	Q	68.6	Low	68.4	Low	91 Å²	91	96.2 Å²	96.2	43%	0.425	49%	0.488	S	S	.	.	H	α-helix	trans	-64.6	-44	179.9	-155.5	177.2	1.4	0	0	111.9	N633 E634 K635 L640 Q641	N633-Q637 PolarHBondContact O-N 3.48Å; E634-Q637 WeakPolarHBondContact O-CB 3.46Å; E634-Q637 PolarHBondContact O-N 3.1Å; K635-Q637 VanDerWaalsContact C-N 3.31Å; Q637-L640 PolarHBondContact O-N 3.21Å; Q637-Q641 VanDerWaalsContact O-CB 3.31Å; Q637-Q641 WeakPolarHBondContact O-CB 3.47Å; Q637-Q641 PolarHBondContact O-N 3.29Å
638	K	74.5	Confident	68.6	Low	145 Å²	145	97.3 Å²	97.3	63%	0.63	50%	0.495	S	S	*	.	H	α-helix	trans	-60.5	-45.9	173.6	-76.2	-178.3	-179.7	173.4	0	112.1	E634 Q641 L642	E634-K638 PolarHBondContact O-N 3.35Å; K638-Q641 PolarHBondContact O-N 3Å; K638-L642 PolarHBondContact O-N 2.88Å
639	S	72	Confident	68.7	Low	70 Å²	70	98.9 Å²	98.9	49%	0.49	50%	0.495	S	S	.	.	H	α-helix	trans	-63.4	-42.3	177	-68.2	0	0	0	0	112.5	K635 N636 L642 L643	K635-S639 PolarHBondContact O-N 3.32Å; K635-S639 PolarHBondContact O-OG 3.48Å; N636-S639 PolarHBondContact O-N 2.88Å; S639-L642 PolarHBondContact O-N 3.1Å; S639-L643 WeakPolarHBondContact O-CG 3.43Å; S639-L643 PolarHBondContact O-N 3.25Å
640	L	68	Low	68.8	Low	22 Å²	22	98.5 Å²	98.5	12%	0.115	49%	0.488	C	S	.	.	H	α-helix	trans	-63	-40.8	174.2	-89.2	150	0	0	0	111.8	L623 L626 Q627 N630 N636 Q637 L643 V644	L623-L640 HydrophobicContact CD2-CD2 4.44Å; L626-L640 HydrophobicContact CB-CD2 4.26Å; Q627-L640 HydrophobicContact CG-CB 3.84Å; Q627-L640 HydrophobicContact CG-CD2 4.11Å; Q627-L640 HydrophobicContact CG-CG 4.43Å; Q627-L640 PolarHBondContact NE2-O 3.41Å; N630-L640 HydrophobicContact CB-CD1 4.5Å; N636-L640 WeakPolarHBondContact O-CB 3.31Å; N636-L640 WeakPolarHBondContact O-CD1 3.44Å; N636-L640 PolarHBondContact O-N 3.18Å; Q637-L640 PolarHBondContact O-N 3.21Å; L640-L643 PolarHBondContact O-N 3.42Å; L640-V644 WeakPolarHBondContact O-CG2 3.49Å; L640-V644 PolarHBondContact O-N 2.75Å
641	Q	72.7	Confident	69	Low	126 Å²	126	96.9 Å²	96.9	59%	0.589	48%	0.479	S	S	*	.	H	α-helix	trans	-64.3	-41.4	177.3	-164.8	175.2	6	0	0	111.9	Q637 K638 V644 S645	Q637-Q641 VanDerWaalsContact O-CB 3.31Å; Q637-Q641 WeakPolarHBondContact O-CB 3.47Å; Q637-Q641 PolarHBondContact O-N 3.29Å; K638-Q641 PolarHBondContact O-N 3Å; Q641-V644 PolarHBondContact O-N 3.3Å; Q641-S645 WeakPolarHBondContact O-CB 3.34Å; Q641-S645 PolarHBondContact O-N 3.35Å
642	L	75.9	Confident	69.2	Low	121 Å²	121	94.1 Å²	94.1	63%	0.634	47%	0.471	S	S	*	.	H	α-helix	trans	-60.2	-46.4	171.9	-108.2	146.6	0	0	0	111.6	K638 S639 S645 A646	K638-L642 PolarHBondContact O-N 2.88Å; S639-L642 PolarHBondContact O-N 3.1Å; L642-S645 PolarHBondContact O-N 2.99Å; L642-S645 PolarHBondContact O-OG 3.41Å; L642-A646 WeakPolarHBondContact O-CB 3.32Å; L642-A646 PolarHBondContact O-N 2.61Å
643	L	71.5	Confident	69.4	Low	98 Å²	98	92.4 Å²	92.4	51%	0.513	46%	0.461	S	S	.	.	H	α-helix	trans	-61.9	-44	177.4	-75.9	167	0	0	0	112.8	S639 L640 A646 S647	S639-L643 WeakPolarHBondContact O-CG 3.43Å; S639-L643 PolarHBondContact O-N 3.25Å; L640-L643 PolarHBondContact O-N 3.42Å; L643-A646 PolarHBondContact O-N 2.92Å; L643-S647 WeakPolarHBondContact O-CB 3.26Å; L643-S647 PolarHBondContact O-N 3.08Å
644	V	69.8	Low	69.1	Low	12 Å²	12	90.3 Å²	90.3	7%	0.073	45%	0.45	C	S	.	.	H	α-helix	trans	-63.7	-42.6	175.9	170.3	0	0	0	0	110.7	L623 Q624 Q627 L640 Q641 A646 S647 N648	L623-V644 HydrophobicContact CB-CG2 3.94Å; Q624-V644 HydrophobicContact CG-CG1 4.41Å; Q627-V644 HydrophobicContact CG-CG2 4.49Å; L640-V644 WeakPolarHBondContact O-CG2 3.49Å; L640-V644 PolarHBondContact O-N 2.75Å; Q641-V644 PolarHBondContact O-N 3.3Å; V644-A646 PolarHBondContact O-N 2.96Å; V644-S647 PolarHBondContact O-N 3.42Å; V644-N648 WeakPolarHBondContact O-CB 3.48Å; V644-N648 VanDerWaalsContact O-CG 3.28Å; V644-N648 PolarHBondContact O-N 3.19Å
645	S	71.5	Confident	68.3	Low	49 Å²	49	84.9 Å²	84.9	34%	0.343	43%	0.431	S	S	.	.	H	α-helix	trans	-63.7	-41	177.3	80.2	0	0	0	0	112.6	Q641 L642 N648 R649	Q641-S645 WeakPolarHBondContact O-CB 3.34Å; Q641-S645 PolarHBondContact O-N 3.35Å; L642-S645 PolarHBondContact O-N 2.99Å; L642-S645 PolarHBondContact O-OG 3.41Å; S645-N648 PolarHBondContact O-N 2.96Å; S645-R649 WeakPolarHBondContact O-CG 3.3Å; S645-R649 PolarHBondContact O-N 2.84Å
646	A	70.2	Confident	67.6	Low	55 Å²	55	81.6 Å²	81.6	46%	0.455	42%	0.42	S	S	.	.	H	α-helix	trans	-65.6	-41.9	176.7	0	0	0	0	0	111.3	L642 L643 V644 R649 L650	L642-A646 WeakPolarHBondContact O-CB 3.32Å; L642-A646 PolarHBondContact O-N 2.61Å; L643-A646 PolarHBondContact O-N 2.92Å; V644-A646 PolarHBondContact O-N 2.96Å; A646-R649 PolarHBondContact O-N 3.38Å; A646-L650 PolarHBondContact O-N 2.68Å
647	S	68.2	Low	67.2	Low	17 Å²	17	86 Å²	86	12%	0.119	43%	0.432	C	S	.	.	H	α-helix	trans	-62	-45.1	174.8	-167.8	0	0	0	0	111.8	T620 L643 V644 R649 L650 Q651	T620-S647 PolarHBondContact OG1-OG 3.28Å; L643-S647 WeakPolarHBondContact O-CB 3.26Å; L643-S647 PolarHBondContact O-N 3.08Å; V644-S647 PolarHBondContact O-N 3.42Å; S647-R649 PolarHBondContact O-N 3.43Å; S647-L650 PolarHBondContact O-N 3.18Å; S647-Q651 WeakPolarHBondContact O-CG 3.33Å; S647-Q651 PolarHBondContact O-N 3.24Å
648	N	67.8	Low	66.6	Low	70 Å²	70	82.3 Å²	82.3	37%	0.374	42%	0.415	S	S	.	.	H	α-helix	trans	-63.4	-40	177.2	-72	-11.4	0	0	0	111.9	T620 V644 S645 Q651 L652	T620-N648 WeakPolarHBondContact CG2-OD1 3.21Å; V644-N648 WeakPolarHBondContact O-CB 3.48Å; V644-N648 VanDerWaalsContact O-CG 3.28Å; V644-N648 PolarHBondContact O-N 3.19Å; S645-N648 PolarHBondContact O-N 2.96Å; N648-Q651 PolarHBondContact O-N 2.7Å; N648-L652 PolarHBondContact O-N 3Å
649	R	67.4	Low	65.5	Low	185 Å²	185	79.7 Å²	79.7	70%	0.698	41%	0.408	S	S	*	.	H	α-helix	trans	-63.9	-40.9	174.2	-74.4	-179.6	-173.8	-152.3	2.4	112	S645 A646 S647 L652 K653	S645-R649 WeakPolarHBondContact O-CG 3.3Å; S645-R649 PolarHBondContact O-N 2.84Å; A646-R649 PolarHBondContact O-N 3.38Å; S647-R649 PolarHBondContact O-N 3.43Å; R649-L652 PolarHBondContact O-N 3.14Å; R649-K653 WeakPolarHBondContact O-CG 3.21Å; R649-K653 PolarHBondContact O-N 2.91Å
650	L	69.5	Low	64.7	Low	97 Å²	97	85 Å²	85	51%	0.508	42%	0.417	S	S	.	.	H	α-helix	trans	-63.9	-43.3	175.5	-175.7	66	0	0	0	111	A646 S647 K653 L654	A646-L650 PolarHBondContact O-N 2.68Å; S647-L650 PolarHBondContact O-N 3.18Å; L650-K653 PolarHBondContact O-N 3.35Å; L650-L654 HydrophobicContact CG-CD1 4.2Å; L650-L654 WeakPolarHBondContact O-CB 3.39Å; L650-L654 WeakPolarHBondContact O-CG 3.5Å; L650-L654 PolarHBondContact O-N 3.31Å
651	Q	63.4	Low	64.1	Low	38 Å²	38	86.7 Å²	86.7	18%	0.178	43%	0.427	C	S	.	.	H	α-helix	trans	-60.6	-44.6	175.1	-76.9	-173.2	8.4	0	0	112.5	S616 M617 T620 S647 N648 K653 L654 A655	S616-Q651 PolarHBondContact O-NE2 2.87Å; S616-Q651 WeakPolarHBondContact OG-CG 3.32Å; S616-Q651 PolarHBondContact OG-NE2 2.91Å; S616-Q651 VanDerWaalsContact OG-NE2 3.16Å; M617-Q651 VanDerWaalsContact CA-NE2 3.29Å; T620-Q651 PolarHBondContact OG1-NE2 3.48Å; S647-Q651 WeakPolarHBondContact O-CG 3.33Å; S647-Q651 PolarHBondContact O-N 3.24Å; N648-Q651 PolarHBondContact O-N 2.7Å; Q651-K653 VanDerWaalsContact C-N 3.34Å; Q651-K653 PolarHBondContact O-N 3.04Å; Q651-L654 PolarHBondContact O-N 3.22Å; Q651-A655 VanDerWaalsContact O-CB 3.32Å; Q651-A655 WeakPolarHBondContact O-CB 3.33Å; Q651-A655 PolarHBondContact O-N 3.44Å
652	L	61.8	Low	63.2	Low	109 Å²	109	83.2 Å²	83.2	57%	0.571	41%	0.412	S	S	*	.	H	α-helix	trans	-61.7	-43.5	176.3	-176.4	63.2	0	0	0	111.2	N648 R649 L654 A655 I656	N648-L652 PolarHBondContact O-N 3Å; R649-L652 PolarHBondContact O-N 3.14Å; L652-L654 PolarHBondContact O-N 3.28Å; L652-A655 PolarHBondContact O-N 3.45Å; L652-I656 HydrophobicContact CD1-CD1 4.16Å; L652-I656 HydrophobicContact CD1-CG1 4.4Å; L652-I656 HydrophobicContact CG-CD1 3.88Å; L652-I656 WeakPolarHBondContact O-CB 3.47Å; L652-I656 WeakPolarHBondContact O-CD1 3.47Å; L652-I656 WeakPolarHBondContact O-CG1 3.36Å; L652-I656 PolarHBondContact O-N 3.2Å
653	K	64.8	Low	62	Low	153 Å²	153	81 Å²	81	67%	0.665	40%	0.399	S	S	*	.	H	α-helix	trans	-61.4	-42.4	175	-76.8	-177.7	177.4	-175.9	0	112.3	R649 L650 Q651 R657	R649-K653 WeakPolarHBondContact O-CG 3.21Å; R649-K653 PolarHBondContact O-N 2.91Å; L650-K653 PolarHBondContact O-N 3.35Å; Q651-K653 VanDerWaalsContact C-N 3.34Å; Q651-K653 PolarHBondContact O-N 3.04Å; K653-R657 WeakPolarHBondContact O-CB 3.43Å; K653-R657 PolarHBondContact O-N 3Å
654	L	64.2	Low	61.1	Low	43 Å²	43	79.2 Å²	79.2	23%	0.225	39%	0.393	C	S	.	.	H	α-helix	trans	-66.1	-46.1	176.7	-73.7	171	0	0	0	111.3	L650 Q651 L652 I656 R657 T658	L650-L654 HydrophobicContact CG-CD1 4.2Å; L650-L654 WeakPolarHBondContact O-CB 3.39Å; L650-L654 WeakPolarHBondContact O-CG 3.5Å; L650-L654 PolarHBondContact O-N 3.31Å; Q651-L654 PolarHBondContact O-N 3.22Å; L652-L654 PolarHBondContact O-N 3.28Å; L654-I656 PolarHBondContact O-N 2.76Å; L654-R657 PolarHBondContact O-N 3.06Å; L654-R657 VanDerWaalsContact O-N 3.14Å; L654-T658 PolarHBondContact O-N 3Å; L654-T658 PolarHBondContact O-OG1 3.49Å
655	A	53.6	Low	60.3	Low	39 Å²	39	80.4 Å²	80.4	32%	0.322	40%	0.399	S	S	.	.	H	α-helix	trans	-59.6	-45.3	176.2	0	0	0	0	0	111.4	Q651 L652 R657 T658 N659	Q651-A655 VanDerWaalsContact O-CB 3.32Å; Q651-A655 WeakPolarHBondContact O-CB 3.33Å; Q651-A655 PolarHBondContact O-N 3.44Å; L652-A655 PolarHBondContact O-N 3.45Å; A655-R657 VanDerWaalsContact C-N 3.34Å; A655-R657 PolarHBondContact O-N 2.88Å; A655-T658 PolarHBondContact O-N 3.38Å; A655-N659 VanDerWaalsContact O-CB 3.3Å; A655-N659 WeakPolarHBondContact O-CB 3.4Å; A655-N659 PolarHBondContact O-N 3.05Å
656	I	57	Low	59.4	Low	100 Å²	100	82.8 Å²	82.8	51%	0.513	41%	0.405	S	S	.	.	H	α-helix	trans	-60.6	-43.6	174.3	-69.8	166.1	0	0	0	110.8	L652 L654 N659 R660	L652-I656 HydrophobicContact CD1-CD1 4.16Å; L652-I656 HydrophobicContact CD1-CG1 4.4Å; L652-I656 HydrophobicContact CG-CD1 3.88Å; L652-I656 WeakPolarHBondContact O-CB 3.47Å; L652-I656 WeakPolarHBondContact O-CD1 3.47Å; L652-I656 WeakPolarHBondContact O-CG1 3.36Å; L652-I656 PolarHBondContact O-N 3.2Å; L654-I656 PolarHBondContact O-N 2.76Å; I656-N659 PolarHBondContact O-N 3.4Å; I656-R660 VanDerWaalsContact O-CB 3.26Å; I656-R660 WeakPolarHBondContact O-CB 3.21Å; I656-R660 PolarHBondContact O-N 2.91Å
657	R	59.3	Low	58.3	Low	167 Å²	167	83 Å²	83	63%	0.63	40%	0.402	S	S	*	.	H	α-helix	trans	-65	-43.2	178.5	-171.4	172.8	-176.3	137.9	-1	111.8	K653 L654 A655 R660 N661	K653-R657 WeakPolarHBondContact O-CB 3.43Å; K653-R657 PolarHBondContact O-N 3Å; L654-R657 PolarHBondContact O-N 3.06Å; L654-R657 VanDerWaalsContact O-N 3.14Å; A655-R657 VanDerWaalsContact C-N 3.34Å; A655-R657 PolarHBondContact O-N 2.88Å; R657-R660 PolarHBondContact O-N 2.74Å; R657-N661 WeakPolarHBondContact O-CB 3.35Å; R657-N661 VanDerWaalsContact O-CG 3.24Å; R657-N661 PolarHBondContact O-N 3.16Å
658	T	56.1	Low	57.7	Low	13 Å²	13	86.4 Å²	86.4	8%	0.08	42%	0.418	C	S	.	.	H	α-helix	trans	-62.6	-46.5	175.2	-55.7	0	0	0	0	110.5	L606 L654 A655 R660 N661 I662	L606-T658 HydrophobicContact CD1-CG2 3.88Å; L654-T658 PolarHBondContact O-N 3Å; L654-T658 PolarHBondContact O-OG1 3.49Å; A655-T658 PolarHBondContact O-N 3.38Å; T658-R660 PolarHBondContact O-N 2.94Å; T658-N661 PolarHBondContact O-N 2.95Å; T658-I662 HydrophobicContact CG2-CD1 4.02Å; T658-I662 VanDerWaalsContact O-CG1 3.28Å; T658-I662 WeakPolarHBondContact O-CG1 3.43Å; T658-I662 PolarHBondContact O-N 3.47Å
659	N	51.1	Low	57	Low	90 Å²	90	85 Å²	85	48%	0.481	41%	0.411	S	S	.	.	H	α-helix	trans	-65.4	-39.9	179	-141.9	3.4	0	0	0	111.4	A655 I656 N661 I662 I663	A655-N659 VanDerWaalsContact O-CB 3.3Å; A655-N659 WeakPolarHBondContact O-CB 3.4Å; A655-N659 PolarHBondContact O-N 3.05Å; I656-N659 PolarHBondContact O-N 3.4Å; N659-N661 PolarHBondContact O-N 2.8Å; N659-I662 PolarHBondContact O-N 3.23Å; N659-I663 WeakPolarHBondContact O-CB 3.44Å; N659-I663 WeakPolarHBondContact O-CD1 3.45Å; N659-I663 WeakPolarHBondContact O-CG1 3.16Å; N659-I663 PolarHBondContact O-N 3.21Å
660	R	54.5	Low	56.2	Low	180 Å²	180	83.2 Å²	83.2	68%	0.679	41%	0.408	S	S	*	.	H	α-helix	trans	-62.7	-41.4	173.1	-171.9	177.1	179.9	173.6	0.1	111.7	I656 R657 T658 I663 T664	I656-R660 VanDerWaalsContact O-CB 3.26Å; I656-R660 WeakPolarHBondContact O-CB 3.21Å; I656-R660 PolarHBondContact O-N 2.91Å; R657-R660 PolarHBondContact O-N 2.74Å; T658-R660 PolarHBondContact O-N 2.94Å; R660-I663 PolarHBondContact O-N 3.09Å; R660-T664 WeakPolarHBondContact O-CB 3.38Å; R660-T664 PolarHBondContact O-N 3.45Å; R660-T664 PolarHBondContact O-OG1 2.98Å
661	N	56.1	Low	55.2	Low	59 Å²	59	85.4 Å²	85.4	32%	0.316	41%	0.411	S	S	.	.	H	α-helix	trans	-66.4	-42	175.6	-74.3	-12.1	0	0	0	111.6	R657 T658 N659 T664 N665	R657-N661 WeakPolarHBondContact O-CB 3.35Å; R657-N661 VanDerWaalsContact O-CG 3.24Å; R657-N661 PolarHBondContact O-N 3.16Å; T658-N661 PolarHBondContact O-N 2.95Å; N659-N661 PolarHBondContact O-N 2.8Å; N661-T664 PolarHBondContact O-N 3.3Å; N661-N665 VanDerWaalsContact O-CB 3.25Å; N661-N665 WeakPolarHBondContact O-CB 3.07Å; N661-N665 VanDerWaalsContact O-CG 3.26Å; N661-N665 PolarHBondContact O-N 2.79Å
662	I	53.8	Low	54.6	Low	53 Å²	53	86.1 Å²	86.1	27%	0.272	42%	0.418	S	S	.	.	H	α-helix	trans	-59.8	-50.1	174.3	-69.2	165.9	0	0	0	110	L606 T658 N659 T664 N665 Q666	L606-I662 HydrophobicContact CD1-CD1 4.1Å; L606-I662 HydrophobicContact CD1-CG1 3.76Å; T658-I662 HydrophobicContact CG2-CD1 4.02Å; T658-I662 VanDerWaalsContact O-CG1 3.28Å; T658-I662 WeakPolarHBondContact O-CG1 3.43Å; T658-I662 PolarHBondContact O-N 3.47Å; N659-I662 PolarHBondContact O-N 3.23Å; I662-T664 VanDerWaalsContact C-N 3.35Å; I662-T664 PolarHBondContact O-N 3.15Å; I662-N665 PolarHBondContact O-N 2.97Å; I662-Q666 HydrophobicContact CG2-CG 4.42Å; I662-Q666 WeakPolarHBondContact O-CB 3.41Å; I662-Q666 VanDerWaalsContact O-CG 3.3Å; I662-Q666 WeakPolarHBondContact O-CG 3.36Å; I662-Q666 PolarHBondContact O-N 3.48Å
663	I	50.3	Low	53.8	Low	73 Å²	73	83.3 Å²	83.3	37%	0.374	41%	0.41	S	S	.	.	H	α-helix	trans	-62.6	-43.4	179	-68.5	164.9	0	0	0	110.6	N659 R660 Q666 C667	N659-I663 WeakPolarHBondContact O-CB 3.44Å; N659-I663 WeakPolarHBondContact O-CD1 3.45Å; N659-I663 WeakPolarHBondContact O-CG1 3.16Å; N659-I663 PolarHBondContact O-N 3.21Å; R660-I663 PolarHBondContact O-N 3.09Å; I663-Q666 PolarHBondContact O-N 2.81Å; I663-C667 WeakPolarHBondContact O-CB 3.42Å; I663-C667 PolarHBondContact O-N 3.14Å; I663-C667 PolarHBondContact O-SG 3.01Å
664	T	53.4	Low	53	Low	61 Å²	61	82.3 Å²	82.3	37%	0.374	40%	0.403	S	S	.	.	H	α-helix	trans	-66.6	-43.3	-179.1	-55.7	0	0	0	0	110.5	R660 N661 I662 C667 I668	R660-T664 WeakPolarHBondContact O-CB 3.38Å; R660-T664 PolarHBondContact O-N 3.45Å; R660-T664 PolarHBondContact O-OG1 2.98Å; N661-T664 PolarHBondContact O-N 3.3Å; I662-T664 VanDerWaalsContact C-N 3.35Å; I662-T664 PolarHBondContact O-N 3.15Å; T664-C667 PolarHBondContact O-N 3.46Å; T664-I668 HydrophobicContact CG2-CD1 3.92Å; T664-I668 HydrophobicContact CG2-CG1 4.47Å; T664-I668 WeakPolarHBondContact O-CB 3.45Å; T664-I668 VanDerWaalsContact O-CG1 3.22Å; T664-I668 WeakPolarHBondContact O-CG1 3.38Å; T664-I668 PolarHBondContact O-N 2.84Å
665	N	52.8	Low	52.2	Low	38 Å²	38	83.7 Å²	83.7	20%	0.203	41%	0.41	C	S	.	.	H	α-helix	trans	-62.1	-46.8	172.9	-75.4	-15	0	0	0	110.3	Q602 N661 I662 C667 I668 L669	Q602-N665 PolarHBondContact OE1-ND2 2.95Å; N661-N665 VanDerWaalsContact O-CB 3.25Å; N661-N665 WeakPolarHBondContact O-CB 3.07Å; N661-N665 VanDerWaalsContact O-CG 3.26Å; N661-N665 PolarHBondContact O-N 2.79Å; I662-N665 PolarHBondContact O-N 2.97Å; N665-C667 VanDerWaalsContact C-N 3.32Å; N665-C667 PolarHBondContact O-N 2.67Å; N665-I668 PolarHBondContact O-N 3.45Å; N665-L669 VanDerWaalsContact O-CB 3.28Å; N665-L669 WeakPolarHBondContact O-CB 3.39Å; N665-L669 WeakPolarHBondContact O-CG 3.27Å; N665-L669 PolarHBondContact O-N 3.43Å
666	Q	51.5	Low	52	Low	98 Å²	98	86.2 Å²	86.2	46%	0.458	42%	0.417	S	S	.	.	H	α-helix	trans	-59.4	-40	175.2	-76.2	-179.8	-12.2	0	0	112.6	I662 I663 L669 F670	I662-Q666 HydrophobicContact CG2-CG 4.42Å; I662-Q666 WeakPolarHBondContact O-CB 3.41Å; I662-Q666 VanDerWaalsContact O-CG 3.3Å; I662-Q666 WeakPolarHBondContact O-CG 3.36Å; I662-Q666 PolarHBondContact O-N 3.48Å; I663-Q666 PolarHBondContact O-N 2.81Å; Q666-L669 PolarHBondContact O-N 2.89Å; Q666-F670 WeakPolarHBondContact O-CB 3.44Å; Q666-F670 PolarHBondContact O-N 2.88Å
667	C	47.9	Very low	51.2	Low	59 Å²	59	90 Å²	90	40%	0.399	43%	0.43	S	S	.	.	H	α-helix	trans	-66.9	-44.7	175.2	-75.6	0	0	0	0	111.9	I663 T664 N665 L669 F670 Y671	I663-C667 WeakPolarHBondContact O-CB 3.42Å; I663-C667 PolarHBondContact O-N 3.14Å; I663-C667 PolarHBondContact O-SG 3.01Å; T664-C667 PolarHBondContact O-N 3.46Å; N665-C667 VanDerWaalsContact C-N 3.32Å; N665-C667 PolarHBondContact O-N 2.67Å; C667-L669 VanDerWaalsContact C-N 3.32Å; C667-L669 PolarHBondContact O-N 3.08Å; C667-F670 PolarHBondContact O-N 3.45Å; C667-Y671 WeakPolarHBondContact O-CB 3.31Å; C667-Y671 PolarHBondContact O-N 3.12Å
668	I	56.1	Low	50.5	Low	90 Å²	90	87.7 Å²	87.7	46%	0.462	43%	0.43	S	S	.	.	H	α-helix	trans	-61.2	-44.6	175.5	-69.8	165.8	0	0	0	109.7	T664 N665 F670 Y671 T672	T664-I668 HydrophobicContact CG2-CD1 3.92Å; T664-I668 HydrophobicContact CG2-CG1 4.47Å; T664-I668 WeakPolarHBondContact O-CB 3.45Å; T664-I668 VanDerWaalsContact O-CG1 3.22Å; T664-I668 WeakPolarHBondContact O-CG1 3.38Å; T664-I668 PolarHBondContact O-N 2.84Å; N665-I668 PolarHBondContact O-N 3.45Å; I668-F670 VanDerWaalsContact C-N 3.33Å; I668-F670 PolarHBondContact O-N 3Å; I668-Y671 PolarHBondContact O-N 3.28Å; I668-T672 HydrophobicContact CG2-CG2 4.24Å; I668-T672 WeakPolarHBondContact O-CB 3.36Å; I668-T672 WeakPolarHBondContact O-CG2 3.32Å; I668-T672 PolarHBondContact O-N 3.17Å; I668-T672 PolarHBondContact O-OG1 3.31Å
669	L	52.2	Low	50	Low	41 Å²	41	97.6 Å²	97.6	22%	0.215	47%	0.472	C	S	.	.	H	α-helix	trans	-59.6	-42.9	175.3	-70.3	174	0	0	0	111.5	Y591 I594 N665 Q666 C667 T672 A673	Y591-L669 HydrophobicContact CD1-CB 4.29Å; Y591-L669 HydrophobicContact CD1-CD2 4.24Å; Y591-L669 HydrophobicContact CE1-CB 3.6Å; Y591-L669 HydrophobicContact CE1-CD1 4.27Å; Y591-L669 HydrophobicContact CE1-CD2 4.35Å; Y591-L669 HydrophobicContact CE1-CG 4.3Å; Y591-L669 HydrophobicContact CE2-CD1 4.36Å; I594-L669 HydrophobicContact CD1-CD2 3.06Å; I594-L669 HydrophobicContact CD1-CG 4.44Å; I594-L669 HydrophobicContact CG1-CD2 4.42Å; N665-L669 VanDerWaalsContact O-CB 3.28Å; N665-L669 WeakPolarHBondContact O-CB 3.39Å; N665-L669 WeakPolarHBondContact O-CG 3.27Å; N665-L669 PolarHBondContact O-N 3.43Å; Q666-L669 PolarHBondContact O-N 2.89Å; C667-L669 VanDerWaalsContact C-N 3.32Å; C667-L669 PolarHBondContact O-N 3.08Å; L669-T672 WeakPolarHBondContact CA-OG1 3.4Å; L669-T672 PolarHBondContact O-OG1 3.01Å; L669-T672 VanDerWaalsContact O-OG1 3.04Å; L669-A673 VanDerWaalsContact O-CB 3.24Å; L669-A673 WeakPolarHBondContact O-CB 3.41Å; L669-A673 PolarHBondContact O-N 3.36Å
670	F	51.1	Low	49.9	Very low	147 Å²	147	98 Å²	98	65%	0.645	47%	0.471	S	S	*	.	H	α-helix	trans	-68.1	-41.2	177.3	-155	-85.6	0	0	0	111.9	Q666 C667 I668 Y674	Q666-F670 WeakPolarHBondContact O-CB 3.44Å; Q666-F670 PolarHBondContact O-N 2.88Å; C667-F670 PolarHBondContact O-N 3.45Å; I668-F670 VanDerWaalsContact C-N 3.33Å; I668-F670 PolarHBondContact O-N 3Å; F670-Y674 VanDerWaalsContact O-CB 3.23Å; F670-Y674 WeakPolarHBondContact O-CB 3.45Å; F670-Y674 PolarHBondContact O-N 3.39Å
671	Y	48.5	Very low	49.7	Very low	143 Å²	143	93.6 Å²	93.6	56%	0.561	46%	0.46	S	S	*	.	H	α-helix	trans	-71.6	-40.1	-179.1	-145.6	-92.9	0	0	0	111.9	C667 I668 Y674 I675	C667-Y671 WeakPolarHBondContact O-CB 3.31Å; C667-Y671 PolarHBondContact O-N 3.12Å; I668-Y671 PolarHBondContact O-N 3.28Å; Y671-Y674 PolarHBondContact O-N 2.89Å; Y671-I675 HydrophobicContact CD1-CD1 3.68Å; Y671-I675 HydrophobicContact CD1-CG1 4.11Å; Y671-I675 HydrophobicContact CE1-CD1 3.8Å; Y671-I675 HydrophobicContact CE1-CG1 4.26Å; Y671-I675 WeakPolarHBondContact O-CB 3.24Å; Y671-I675 WeakPolarHBondContact O-CG1 3.32Å; Y671-I675 PolarHBondContact O-N 3.16Å
672	T	50.4	Low	49.3	Very low	53 Å²	53	95.6 Å²	95.6	33%	0.325	47%	0.468	S	S	.	.	H	α-helix	trans	-65.1	-45.4	174.1	46.7	0	0	0	0	111.2	I668 L669 Y674 I675 L676	I668-T672 HydrophobicContact CG2-CG2 4.24Å; I668-T672 WeakPolarHBondContact O-CB 3.36Å; I668-T672 WeakPolarHBondContact O-CG2 3.32Å; I668-T672 PolarHBondContact O-N 3.17Å; I668-T672 PolarHBondContact O-OG1 3.31Å; L669-T672 WeakPolarHBondContact CA-OG1 3.4Å; L669-T672 PolarHBondContact O-OG1 3.01Å; L669-T672 VanDerWaalsContact O-OG1 3.04Å; T672-Y674 VanDerWaalsContact C-N 3.3Å; T672-Y674 PolarHBondContact O-N 2.99Å; T672-I675 PolarHBondContact O-N 3.11Å; T672-L676 VanDerWaalsContact O-CB 3.31Å; T672-L676 WeakPolarHBondContact O-CB 3.36Å; T672-L676 WeakPolarHBondContact O-CD1 3.04Å; T672-L676 WeakPolarHBondContact O-CG 3.49Å; T672-L676 PolarHBondContact O-N 3.43Å
673	A	44.6	Very low	49.1	Very low	49 Å²	49	98.1 Å²	98.1	41%	0.405	48%	0.48	S	S	.	.	H	α-helix	trans	-61.8	-36.6	173.2	0	0	0	0	0	112.6	L669 K677	L669-A673 VanDerWaalsContact O-CB 3.24Å; L669-A673 WeakPolarHBondContact O-CB 3.41Å; L669-A673 PolarHBondContact O-N 3.36Å; A673-K677 WeakPolarHBondContact O-CB 3.26Å; A673-K677 PolarHBondContact O-N 2.97Å; A673-K677 VanDerWaalsContact O-N 3.16Å
674	Y	47.8	Very low	49	Very low	132 Å²	132	99.6 Å²	99.6	52%	0.518	49%	0.487	S	S	.	.	H	α-helix	trans	-69.3	-43.4	176.3	-176.9	-100.9	0	0	0	112.4	F670 Y671 T672 K677 L678	F670-Y674 VanDerWaalsContact O-CB 3.23Å; F670-Y674 WeakPolarHBondContact O-CB 3.45Å; F670-Y674 PolarHBondContact O-N 3.39Å; Y671-Y674 PolarHBondContact O-N 2.89Å; T672-Y674 VanDerWaalsContact C-N 3.3Å; T672-Y674 PolarHBondContact O-N 2.99Å; Y674-K677 PolarHBondContact O-N 2.87Å; Y674-L678 HydrophobicContact CD1-CD1 3.78Å; Y674-L678 HydrophobicContact CE1-CD1 3.31Å; Y674-L678 HydrophobicContact CE1-CG 4.17Å; Y674-L678 PolarHBondContact O-N 2.9Å; Y674-L678 VanDerWaalsContact O-N 3.14Å
675	I	48	Very low	48.7	Very low	72 Å²	72	102.2 Å²	102.2	37%	0.369	49%	0.494	S	S	.	.	H	α-helix	trans	-62.6	-45.5	174	-71.8	178.7	0	0	0	110.5	Y671 T672 K677 L678 F679	Y671-I675 HydrophobicContact CD1-CD1 3.68Å; Y671-I675 HydrophobicContact CD1-CG1 4.11Å; Y671-I675 HydrophobicContact CE1-CD1 3.8Å; Y671-I675 HydrophobicContact CE1-CG1 4.26Å; Y671-I675 WeakPolarHBondContact O-CB 3.24Å; Y671-I675 WeakPolarHBondContact O-CG1 3.32Å; Y671-I675 PolarHBondContact O-N 3.16Å; T672-I675 PolarHBondContact O-N 3.11Å; I675-K677 PolarHBondContact O-N 2.84Å; I675-L678 WeakPolarHBondContact O-CB 3.35Å; I675-L678 PolarHBondContact O-N 3.17Å; I675-F679 HydrophobicContact CG2-CD2 3.74Å; I675-F679 HydrophobicContact CG2-CE2 3.77Å; I675-F679 WeakPolarHBondContact O-CD2 3.44Å; I675-F679 PolarHBondContact O-N 2.67Å
676	L	48.8	Very low	48.4	Very low	92 Å²	92	106.8 Å²	106.8	48%	0.482	52%	0.515	S	S	.	.	H	α-helix	trans	-62.8	-18.8	177.1	-86.6	157.8	0	0	0	114.1	H593 T672 F679	H593-L676 HydrophobicContact CB-CD1 4.24Å; T672-L676 VanDerWaalsContact O-CB 3.31Å; T672-L676 WeakPolarHBondContact O-CB 3.36Å; T672-L676 WeakPolarHBondContact O-CD1 3.04Å; T672-L676 WeakPolarHBondContact O-CG 3.49Å; T672-L676 PolarHBondContact O-N 3.43Å; L676-F679 VanDerWaalsContact O-OXT 3.1Å
677	K	41.8	Very low	48.2	Very low	180 Å²	180	107.5 Å²	107.5	78%	0.783	52%	0.519	S	S	*	.	H	α-helix	trans	-94.1	-16.8	175.3	-162.2	176.1	-176.7	179.2	0	112.7	A673 Y674 I675	A673-K677 WeakPolarHBondContact O-CB 3.26Å; A673-K677 PolarHBondContact O-N 2.97Å; A673-K677 VanDerWaalsContact O-N 3.16Å; Y674-K677 PolarHBondContact O-N 2.87Å; I675-K677 PolarHBondContact O-N 2.84Å
678	L	43.3	Very low	48.2	Very low	119 Å²	119	111.5 Å²	111.5	62%	0.623	53%	0.529	S	S	*	.	H	α-helix	trans	-85.9	-33.7	174	-81.7	171.1	0	0	0	111.9	Y674 I675	Y674-L678 HydrophobicContact CD1-CD1 3.78Å; Y674-L678 HydrophobicContact CE1-CD1 3.31Å; Y674-L678 HydrophobicContact CE1-CG 4.17Å; Y674-L678 PolarHBondContact O-N 2.9Å; Y674-L678 VanDerWaalsContact O-N 3.14Å; I675-L678 WeakPolarHBondContact O-CB 3.35Å; I675-L678 PolarHBondContact O-N 3.17Å
679	F	45.8	Very low	47.5	Very low	220 Å²	220	113.5 Å²	113.5	97%	0.965	54%	0.535	S	S	*	.			trans	-70.6	0	158.7	-78.7	-78.2	0	0	0	109.6	I675 L676	I675-F679 HydrophobicContact CG2-CD2 3.74Å; I675-F679 HydrophobicContact CG2-CE2 3.77Å; I675-F679 WeakPolarHBondContact O-CD2 3.44Å; I675-F679 PolarHBondContact O-N 2.67Å; L676-F679 VanDerWaalsContact O-OXT 3.1Å

Retrieved 679 of 679 residues in 328.7 ms (Link to these results)

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