A0A3Q0KR98_SCHMA Loading...

Rhodopsin-like orphan GPCR, putative

AlphaFold DB , UniProt , Accession A0A3Q0KR98, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 616 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	44.7	Very low	49.3	Very low	189 Å²	189	114.5 Å²	114.5	93%	0.931	62%	0.62	S	S	*	*				0	113	0	-85.2	-178.9	156.3	0	0	107.1
2	T	42	Very low	50.1	Low	114 Å²	114	111.3 Å²	111.3	70%	0.699	60%	0.6	S	S	*	*			trans	-76.1	157.8	-168.3	43.7	0	0	0	0	112.3	N4	T2-N4 PolarHBondContact O-N 3.38Å
3	S	48.2	Very low	50.5	Low	88 Å²	88	112.1 Å²	112.1	62%	0.615	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-21.3	-34	173.7	-177.8	0	0	0	0	118.4	Q5 L6 L7	S3-Q5 VanDerWaalsContact C-N 3.34Å; S3-Q5 PolarHBondContact O-N 3.45Å; S3-L6 PolarHBondContact O-N 3.48Å; S3-L6 VanDerWaalsContact O-N 3.13Å; S3-L7 PolarHBondContact O-N 2.84Å
4	N	51	Low	51.3	Low	120 Å²	120	110.8 Å²	110.8	64%	0.642	59%	0.587	S	S	*	*	H	α-helix	trans	-63.6	-27.8	-170.6	-67	0.5	0	0	0	115.2	T2	T2-N4 PolarHBondContact O-N 3.38Å
5	Q	49.9	Very low	51.9	Low	126 Å²	126	113 Å²	113	59%	0.589	59%	0.59	S	S	*	*	H	α-helix	trans	-76.3	-24.9	177.1	-79.3	-173.4	-25.9	0	0	113.6	S3	S3-Q5 VanDerWaalsContact C-N 3.34Å; S3-Q5 PolarHBondContact O-N 3.45Å
6	L	44.9	Very low	52.2	Low	113 Å²	113	107.9 Å²	107.9	59%	0.592	57%	0.565	S	S	*	*	H	α-helix	trans	-78.8	-27.3	175.5	-158	76	0	0	0	111.2	S3 K10	S3-L6 PolarHBondContact O-N 3.48Å; S3-L6 VanDerWaalsContact O-N 3.13Å; L6-K10 PolarHBondContact O-N 2.87Å
7	L	43.2	Very low	52.8	Low	111 Å²	111	106.1 Å²	106.1	58%	0.581	56%	0.556	S	S	*	*	H	α-helix	trans	-67.1	-36.4	177.7	-136	82.1	0	0	0	112.3	S3 Q9 K10 S11	S3-L7 PolarHBondContact O-N 2.84Å; L7-Q9 PolarHBondContact O-N 3.16Å; L7-K10 PolarHBondContact O-N 3.07Å; L7-S11 WeakPolarHBondContact O-CB 3.48Å; L7-S11 PolarHBondContact O-N 3.38Å
8	S	56.1	Low	53.4	Low	70 Å²	70	105.7 Å²	105.7	49%	0.49	55%	0.553	S	S	.	*	H	α-helix	trans	-62.8	-40.9	179	170	0	0	0	0	113	I12	S8-I12 WeakPolarHBondContact O-CD1 3.15Å; S8-I12 WeakPolarHBondContact O-CG1 3.36Å; S8-I12 PolarHBondContact O-N 3.21Å
9	Q	54.5	Low	54	Low	115 Å²	115	103.7 Å²	103.7	54%	0.537	54%	0.543	S	S	.	.	H	α-helix	trans	-69.5	-37.2	177.5	-77.8	-176	-24	0	0	112.8	L7 F13	L7-Q9 PolarHBondContact O-N 3.16Å; Q9-F13 PolarHBondContact O-N 2.92Å
10	K	49.2	Very low	54.3	Low	135 Å²	135	102.5 Å²	102.5	59%	0.587	54%	0.536	S	S	*	.	H	α-helix	trans	-71.4	-38.4	177.2	-72	-172.2	175.6	-172.1	0	112.3	L6 L7 F13 I14	L6-K10 PolarHBondContact O-N 2.87Å; L7-K10 PolarHBondContact O-N 3.07Å; K10-F13 PolarHBondContact O-N 3.09Å; K10-I14 VanDerWaalsContact O-CG1 3.27Å; K10-I14 WeakPolarHBondContact O-CG1 3.14Å; K10-I14 PolarHBondContact O-N 3.34Å
11	S	58.9	Low	54.4	Low	79 Å²	79	101.6 Å²	101.6	55%	0.552	53%	0.531	S	S	*	.	H	α-helix	trans	-63.2	-43.1	180	-163.6	0	0	0	0	112	L7 I14 F15	L7-S11 WeakPolarHBondContact O-CB 3.48Å; L7-S11 PolarHBondContact O-N 3.38Å; S11-I14 PolarHBondContact O-N 3.08Å; S11-F15 WeakPolarHBondContact O-CB 3.26Å; S11-F15 PolarHBondContact O-N 2.88Å
12	I	59.1	Low	55	Low	76 Å²	76	98.9 Å²	98.9	39%	0.39	52%	0.516	S	S	.	.	H	α-helix	trans	-62.9	-45.4	175.7	-66.1	165.8	0	0	0	110.7	S8 I14 F15 T16 L118	S8-I12 WeakPolarHBondContact O-CD1 3.15Å; S8-I12 WeakPolarHBondContact O-CG1 3.36Å; S8-I12 PolarHBondContact O-N 3.21Å; I12-I14 PolarHBondContact O-N 3.44Å; I12-F15 PolarHBondContact O-N 3.23Å; I12-T16 PolarHBondContact O-N 3.48Å; I12-T16 PolarHBondContact O-OG1 3.18Å; I12-L118 HydrophobicContact CG2-CD1 4.18Å; I12-L118 HydrophobicContact CG2-CD2 4Å
13	F	55.4	Low	55.4	Low	121 Å²	121	95.9 Å²	95.9	53%	0.531	49%	0.493	S	S	.	.	H	α-helix	trans	-64.1	-40.6	180	-173.6	-97.8	0	0	0	112.8	Q9 K10 T16 L17	Q9-F13 PolarHBondContact O-N 2.92Å; K10-F13 PolarHBondContact O-N 3.09Å; F13-T16 PolarHBondContact O-N 3.42Å; F13-L17 VanDerWaalsContact O-CB 3.27Å; F13-L17 WeakPolarHBondContact O-CB 3.34Å; F13-L17 PolarHBondContact O-N 3.35Å
14	I	60.9	Low	55.7	Low	94 Å²	94	95.8 Å²	95.8	48%	0.482	49%	0.489	S	S	.	.	H	α-helix	trans	-65.4	-41.7	176.6	-68.4	165.1	0	0	0	110.3	K10 S11 I12 L17 L18	K10-I14 VanDerWaalsContact O-CG1 3.27Å; K10-I14 WeakPolarHBondContact O-CG1 3.14Å; K10-I14 PolarHBondContact O-N 3.34Å; S11-I14 PolarHBondContact O-N 3.08Å; I12-I14 PolarHBondContact O-N 3.44Å; I14-L17 PolarHBondContact O-N 3.07Å; I14-L18 HydrophobicContact CG2-CD1 3.9Å; I14-L18 HydrophobicContact CG2-CG 4.33Å; I14-L18 WeakPolarHBondContact O-CB 3.21Å; I14-L18 VanDerWaalsContact O-CG 3.26Å; I14-L18 WeakPolarHBondContact O-CG 3.36Å; I14-L18 PolarHBondContact O-N 2.73Å
15	F	60.5	Low	55.4	Low	144 Å²	144	96.2 Å²	96.2	63%	0.632	49%	0.492	S	S	*	.	H	α-helix	trans	-64.5	-43.9	177.7	-161.5	-98.6	0	0	0	112	S11 I12 L17 L18 I19	S11-F15 WeakPolarHBondContact O-CB 3.26Å; S11-F15 PolarHBondContact O-N 2.88Å; I12-F15 PolarHBondContact O-N 3.23Å; F15-L17 PolarHBondContact O-N 3.25Å; F15-L18 PolarHBondContact O-N 2.93Å; F15-I19 HydrophobicContact CD1-CD1 3.84Å; F15-I19 HydrophobicContact CE1-CD1 3.73Å; F15-I19 WeakPolarHBondContact O-CG1 3.32Å; F15-I19 PolarHBondContact O-N 3Å; F15-I19 VanDerWaalsContact O-N 3.14Å
16	T	57.1	Low	55.4	Low	31 Å²	31	93.3 Å²	93.3	19%	0.19	49%	0.485	C	S	.	.	H	α-helix	trans	-63.5	-39.8	174.3	-47.2	0	0	0	0	112	I12 F13 I19 I20 I125	I12-T16 PolarHBondContact O-N 3.48Å; I12-T16 PolarHBondContact O-OG1 3.18Å; F13-T16 PolarHBondContact O-N 3.42Å; T16-I19 PolarHBondContact O-N 3.04Å; T16-I20 HydrophobicContact CG2-CD1 4.3Å; T16-I20 WeakPolarHBondContact O-CG1 3.43Å; T16-I20 PolarHBondContact O-N 3.43Å; T16-I20 VanDerWaalsContact O-N 3.12Å; T16-I125 HydrophobicContact CG2-CD1 3.96Å
17	L	62.2	Low	55.2	Low	78 Å²	78	91.9 Å²	91.9	41%	0.408	48%	0.477	S	S	.	.	H	α-helix	trans	-67	-39.1	177.8	-172.4	69.2	0	0	0	112.1	F13 I14 F15 I19 I20 I21	F13-L17 VanDerWaalsContact O-CB 3.27Å; F13-L17 WeakPolarHBondContact O-CB 3.34Å; F13-L17 PolarHBondContact O-N 3.35Å; I14-L17 PolarHBondContact O-N 3.07Å; F15-L17 PolarHBondContact O-N 3.25Å; L17-I19 VanDerWaalsContact C-N 3.34Å; L17-I20 PolarHBondContact O-N 3.18Å; L17-I21 HydrophobicContact CG-CD1 4.02Å; L17-I21 VanDerWaalsContact O-CG1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.43Å; L17-I21 PolarHBondContact O-N 3.23Å
18	L	63.3	Low	54.9	Low	98 Å²	98	90.1 Å²	90.1	51%	0.513	48%	0.479	S	S	.	.	H	α-helix	trans	-65	-37.7	176.5	-73.6	170.5	0	0	0	112	I14 F15 I21 Q22	I14-L18 HydrophobicContact CG2-CD1 3.9Å; I14-L18 HydrophobicContact CG2-CG 4.33Å; I14-L18 WeakPolarHBondContact O-CB 3.21Å; I14-L18 VanDerWaalsContact O-CG 3.26Å; I14-L18 WeakPolarHBondContact O-CG 3.36Å; I14-L18 PolarHBondContact O-N 2.73Å; F15-L18 PolarHBondContact O-N 2.93Å; L18-I21 PolarHBondContact O-N 3.05Å; L18-Q22 PolarHBondContact O-N 3.06Å
19	I	65.9	Low	53.8	Low	68 Å²	68	95 Å²	95	35%	0.349	50%	0.496	S	S	.	.	H	α-helix	trans	-62.4	-44.8	172.6	-67.5	169.2	0	0	0	110.3	F15 T16 L17 I21 Q22 F23 I125	F15-I19 HydrophobicContact CD1-CD1 3.84Å; F15-I19 HydrophobicContact CE1-CD1 3.73Å; F15-I19 WeakPolarHBondContact O-CG1 3.32Å; F15-I19 PolarHBondContact O-N 3Å; F15-I19 VanDerWaalsContact O-N 3.14Å; T16-I19 PolarHBondContact O-N 3.04Å; L17-I19 VanDerWaalsContact C-N 3.34Å; I19-I21 VanDerWaalsContact C-N 3.34Å; I19-I21 PolarHBondContact O-N 3.36Å; I19-Q22 PolarHBondContact O-N 3.49Å; I19-F23 VanDerWaalsContact O-CB 3.28Å; I19-F23 WeakPolarHBondContact O-CB 3.33Å; I19-F23 PolarHBondContact O-N 3.35Å; I19-I125 HydrophobicContact CG2-CG2 4.45Å
20	I	60	Low	52.8	Low	80 Å²	80	96.7 Å²	96.7	41%	0.41	51%	0.509	S	S	.	.	H	α-helix	trans	-63.7	-38.4	177.6	-65.8	165.1	0	0	0	111.7	T16 L17 F23 T24	T16-I20 HydrophobicContact CG2-CD1 4.3Å; T16-I20 WeakPolarHBondContact O-CG1 3.43Å; T16-I20 PolarHBondContact O-N 3.43Å; T16-I20 VanDerWaalsContact O-N 3.12Å; L17-I20 PolarHBondContact O-N 3.18Å; I20-F23 VanDerWaalsContact O-CB 3.32Å; I20-F23 WeakPolarHBondContact O-CB 3.47Å; I20-F23 PolarHBondContact O-N 2.89Å; I20-T24 PolarHBondContact O-N 2.95Å; I20-T24 PolarHBondContact O-OG1 3.22Å
21	I	55.7	Low	51.9	Low	83 Å²	83	96.4 Å²	96.4	43%	0.426	52%	0.518	S	S	.	.	H	α-helix	trans	-68.5	-43.6	177.9	-69.3	167	0	0	0	111.1	L17 L18 I19 F23 T24 N25	L17-I21 HydrophobicContact CG-CD1 4.02Å; L17-I21 VanDerWaalsContact O-CG1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.43Å; L17-I21 PolarHBondContact O-N 3.23Å; L18-I21 PolarHBondContact O-N 3.05Å; I19-I21 VanDerWaalsContact C-N 3.34Å; I19-I21 PolarHBondContact O-N 3.36Å; I21-F23 PolarHBondContact O-N 2.79Å; I21-T24 PolarHBondContact O-N 3.41Å; I21-N25 PolarHBondContact O-N 3.06Å
22	Q	56.3	Low	50.7	Low	133 Å²	133	99.7 Å²	99.7	62%	0.621	53%	0.53	S	S	*	.	H	α-helix	trans	-60.7	-35.7	172.3	-77.4	-165.8	-43.6	0	0	111.8	L18 I19	L18-Q22 PolarHBondContact O-N 3.06Å; I19-Q22 PolarHBondContact O-N 3.49Å
23	F	51.9	Low	49.5	Very low	50 Å²	50	104.4 Å²	104.4	22%	0.219	55%	0.55	C	S	.	*	H	α-helix	trans	-67.1	-38.7	177.9	-158.9	-106.7	0	0	0	113.2	I19 I20 I21 N25 S26 I27 L128 N129 L132	I19-F23 VanDerWaalsContact O-CB 3.28Å; I19-F23 WeakPolarHBondContact O-CB 3.33Å; I19-F23 PolarHBondContact O-N 3.35Å; I20-F23 VanDerWaalsContact O-CB 3.32Å; I20-F23 WeakPolarHBondContact O-CB 3.47Å; I20-F23 PolarHBondContact O-N 2.89Å; I21-F23 PolarHBondContact O-N 2.79Å; F23-N25 VanDerWaalsContact C-N 3.32Å; F23-N25 PolarHBondContact O-N 3.47Å; F23-S26 PolarHBondContact O-N 3.21Å; F23-I27 HydrophobicContact CD1-CD1 3.95Å; F23-I27 HydrophobicContact CE1-CD1 3.94Å; F23-L128 HydrophobicContact CE1-CD2 4.17Å; F23-L128 HydrophobicContact CE1-CG 4.47Å; F23-L128 HydrophobicContact CZ-CD2 4.42Å; F23-L128 HydrophobicContact CZ-CG 4.29Å; F23-N129 HydrophobicContact CE2-CB 3.8Å; F23-N129 WeakPolarHBondContact CE2-OD1 3.37Å; F23-N129 HydrophobicContact CZ-CB 4.31Å; F23-L132 HydrophobicContact CE1-CD1 3.5Å; F23-L132 VanDerWaalsContact CE1-CD1 3.5Å; F23-L132 HydrophobicContact CE2-CD1 4.43Å; F23-L132 HydrophobicContact CZ-CD1 3.34Å; F23-L132 HydrophobicContact CZ-CG 4.39Å
24	T	52.8	Low	48.4	Very low	87 Å²	87	104 Å²	104	53%	0.534	56%	0.558	S	S	.	*	H	α-helix	trans	-70.5	-33.1	-178.9	-45.4	0	0	0	0	111.1	I20 I21 S26 I27	I20-T24 PolarHBondContact O-N 2.95Å; I20-T24 PolarHBondContact O-OG1 3.22Å; I21-T24 PolarHBondContact O-N 3.41Å; T24-S26 VanDerWaalsContact C-N 3.32Å; T24-S26 PolarHBondContact O-N 3.1Å; T24-I27 PolarHBondContact O-N 3.04Å
25	N	44.8	Very low	47.2	Very low	129 Å²	129	106.5 Å²	106.5	69%	0.69	57%	0.572	S	S	*	*	H	α-helix	trans	-74.3	-16	178.6	-69.7	-12.6	0	0	0	114	I21 F23	I21-N25 PolarHBondContact O-N 3.06Å; F23-N25 VanDerWaalsContact C-N 3.32Å; F23-N25 PolarHBondContact O-N 3.47Å
26	S	50.6	Low	46.2	Very low	64 Å²	64	108.5 Å²	108.5	45%	0.448	58%	0.581	S	S	.	*	H	α-helix	trans	-87.2	-21.5	174.6	-80.4	0	0	0	0	114.1	F23 T24	F23-S26 PolarHBondContact O-N 3.21Å; T24-S26 VanDerWaalsContact C-N 3.32Å; T24-S26 PolarHBondContact O-N 3.1Å
27	I	41.6	Very low	45.5	Very low	83 Å²	83	113.2 Å²	113.2	43%	0.426	60%	0.604	S	S	.	*	H	α-helix	trans	-82.3	-21.9	-173.4	-66.4	170.3	0	0	0	112.2	F23 T24 M29 L132	F23-I27 HydrophobicContact CD1-CD1 3.95Å; F23-I27 HydrophobicContact CE1-CD1 3.94Å; T24-I27 PolarHBondContact O-N 3.04Å; I27-M29 PolarHBondContact O-N 3.12Å; I27-L132 HydrophobicContact CD1-CD1 3.96Å
28	A	35.2	Very low	45.1	Very low	75 Å²	75	115.6 Å²	115.6	62%	0.62	62%	0.618	S	S	*	*			trans	-91.3	83	-179.3	0	0	0	0	0	110.6
29	M	33.8	Very low	44.4	Very low	171 Å²	171	115.2 Å²	115.2	84%	0.842	62%	0.623	S	S	*	*			trans	179.2	103.8	145.9	-79.1	-116.1	-177.2	0	0	109.3	I27	I27-M29 PolarHBondContact O-N 3.12Å
30	D	34.2	Very low	43.7	Very low	152 Å²	152	118 Å²	118	81%	0.813	64%	0.637	S	S	*	*			trans	169.7	114.7	131.9	-91.9	-20	0	0	0	110.9
31	T	30	Very low	43.4	Very low	128 Å²	128	118.3 Å²	118.3	79%	0.785	64%	0.64	S	S	*	*			trans	-143.1	119	161	49.5	0	0	0	0	107
32	N	33.6	Very low	43.2	Very low	149 Å²	149	121.5 Å²	121.5	80%	0.797	65%	0.648	S	S	*	*			trans	153.1	143.5	154.4	-83	-0.9	0	0	0	108.8
33	E	34.5	Very low	43	Very low	175 Å²	175	120.7 Å²	120.7	82%	0.818	65%	0.646	S	S	*	*			cis	-166	137	-12.1	-171.4	172.8	-167.8	0	0	104.9
34	T	31.9	Very low	43.2	Very low	113 Å²	113	123 Å²	123	69%	0.693	66%	0.66	S	S	*	*			trans	-92.4	143.5	175.5	39.7	0	0	0	0	110.7
35	N	34.7	Very low	43.2	Very low	146 Å²	146	122.6 Å²	122.6	78%	0.781	65%	0.654	S	S	*	*				158.2	147.6	125.1	-81.5	-33.6	0	0	0	113.5
36	K	39.5	Very low	43.6	Very low	186 Å²	186	119.8 Å²	119.8	81%	0.809	64%	0.639	S	S	*	*	S	Bend	trans	113.2	18.6	140.1	-99.6	-179.6	-175.2	179.1	0	122.7
37	N	42.7	Very low	43.7	Very low	129 Å²	129	122.7 Å²	122.7	69%	0.69	65%	0.65	S	S	*	*			trans	-115.4	8.7	168.7	-78	-3.6	0	0	0	115.9	S39	N37-S39 VanDerWaalsContact C-N 3.35Å; N37-S39 PolarHBondContact O-N 3.28Å
38	D	54.4	Low	44.4	Very low	129 Å²	129	123.7 Å²	123.7	69%	0.69	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	10.6	-161.4	-58.4	-43.2	0	0	0	118.2	Y42	D38-Y42 VanDerWaalsContact O-CB 3.24Å; D38-Y42 WeakPolarHBondContact O-CB 3.34Å
39	S	48.5	Very low	45.6	Very low	90 Å²	90	121.7 Å²	121.7	63%	0.629	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	-40.5	-175.3	59	0	0	0	0	115.1	N37	N37-S39 VanDerWaalsContact C-N 3.35Å; N37-S39 PolarHBondContact O-N 3.28Å
40	I	50.6	Low	47	Very low	126 Å²	126	115.2 Å²	115.2	65%	0.646	61%	0.609	S	S	*	*	H	α-helix	trans	-87.8	-39	-178.4	-63.9	175.2	0	0	0	110.6	Y42 I43	I40-Y42 PolarHBondContact O-N 3.44Å; I40-I43 PolarHBondContact O-N 3.33Å
41	D	53.6	Low	48.8	Very low	87 Å²	87	114.5 Å²	114.5	47%	0.465	61%	0.605	S	S	.	*	H	α-helix	trans	-63.9	-26.9	172.5	-72.4	-25.7	0	0	0	112	N45	D41-N45 WeakPolarHBondContact O-CB 3.47Å; D41-N45 VanDerWaalsContact O-CG 3.28Å; D41-N45 PolarHBondContact O-N 2.76Å; D41-N45 PolarHBondContact O-ND2 2.84Å
42	Y	51.7	Low	51.2	Low	150 Å²	150	111.3 Å²	111.3	59%	0.588	58%	0.58	S	S	*	*	H	α-helix	trans	-66.3	-39.8	179.4	-178	-101.3	0	0	0	113.3	D38 I40 N46	D38-Y42 VanDerWaalsContact O-CB 3.24Å; D38-Y42 WeakPolarHBondContact O-CB 3.34Å; I40-Y42 PolarHBondContact O-N 3.44Å; Y42-N46 WeakPolarHBondContact CE1-ND2 3.39Å; Y42-N46 VanDerWaalsContact CZ-ND2 3.34Å; Y42-N46 WeakPolarHBondContact O-CB 3.23Å; Y42-N46 PolarHBondContact O-N 3.39Å; Y42-N46 PolarHBondContact O-ND2 3.25Å
43	I	52.6	Low	53.7	Low	115 Å²	115	107.7 Å²	107.7	59%	0.59	56%	0.559	S	S	*	*	H	α-helix	trans	-73.8	-42.2	-178.5	-61.3	175.5	0	0	0	110.9	I40 N46	I40-I43 PolarHBondContact O-N 3.33Å; I43-N46 PolarHBondContact O-N 3.12Å
44	I	55	Low	56.1	Low	100 Å²	100	99.6 Å²	99.6	51%	0.513	52%	0.522	S	S	.	.	H	α-helix	trans	-68	-43.7	176.9	-64.4	174.7	0	0	0	110	N46 N47 L48	I44-N46 PolarHBondContact O-N 2.98Å; I44-N47 PolarHBondContact O-N 3.46Å; I44-L48 HydrophobicContact CG2-CD1 3.73Å; I44-L48 PolarHBondContact O-N 3.32Å
45	N	53.9	Low	58.3	Low	77 Å²	77	100.2 Å²	100.2	41%	0.412	52%	0.52	S	S	.	.	H	α-helix	trans	-65.2	-33.6	176.2	-79.7	-42.3	0	0	0	112.9	D41 N47 L48 S49	D41-N45 WeakPolarHBondContact O-CB 3.47Å; D41-N45 VanDerWaalsContact O-CG 3.28Å; D41-N45 PolarHBondContact O-N 2.76Å; D41-N45 PolarHBondContact O-ND2 2.84Å; N45-N47 VanDerWaalsContact C-N 3.35Å; N45-N47 PolarHBondContact O-N 3.27Å; N45-L48 PolarHBondContact O-N 3.28Å; N45-S49 WeakPolarHBondContact O-CA 3.27Å; N45-S49 WeakPolarHBondContact O-CB 3.32Å; N45-S49 PolarHBondContact O-N 3.05Å; N45-S49 PolarHBondContact O-OG 2.92Å
46	N	52.2	Low	60.6	Low	70 Å²	70	98.2 Å²	98.2	37%	0.374	51%	0.506	S	S	.	.	H	α-helix	trans	-65.1	-35.4	179.9	-80.6	-18.6	0	0	0	113.9	Y42 I43 I44 S50	Y42-N46 WeakPolarHBondContact CE1-ND2 3.39Å; Y42-N46 VanDerWaalsContact CZ-ND2 3.34Å; Y42-N46 WeakPolarHBondContact O-CB 3.23Å; Y42-N46 PolarHBondContact O-N 3.39Å; Y42-N46 PolarHBondContact O-ND2 3.25Å; I43-N46 PolarHBondContact O-N 3.12Å; I44-N46 PolarHBondContact O-N 2.98Å; N46-S50 PolarHBondContact O-N 3.03Å; N46-S50 PolarHBondContact O-OG 2.77Å
47	N	53.7	Low	62.8	Low	126 Å²	126	91.6 Å²	91.6	67%	0.674	48%	0.479	S	S	*	.	H	α-helix	trans	-74.4	-42.8	176.2	-75.1	-15.7	0	0	0	111.4	I44 N45	I44-N47 PolarHBondContact O-N 3.46Å; N45-N47 VanDerWaalsContact C-N 3.35Å; N45-N47 PolarHBondContact O-N 3.27Å
48	L	56.8	Low	64.9	Low	103 Å²	103	86.7 Å²	86.7	54%	0.539	45%	0.451	S	S	.	.	H	α-helix	trans	-67.7	-36.2	175	-87.3	138.9	0	0	0	112.9	I44 N45 S50 D51 K52	I44-L48 HydrophobicContact CG2-CD1 3.73Å; I44-L48 PolarHBondContact O-N 3.32Å; N45-L48 PolarHBondContact O-N 3.28Å; L48-S50 VanDerWaalsContact C-N 3.3Å; L48-S50 PolarHBondContact O-N 3.49Å; L48-D51 PolarHBondContact O-N 3.17Å; L48-K52 WeakPolarHBondContact O-CG 3.31Å
49	S	58.7	Low	66.2	Low	34 Å²	34	85.4 Å²	85.4	24%	0.238	45%	0.448	C	S	.	.	H	α-helix	trans	-69.9	-24	-180	-69	0	0	0	0	113.2	N45 D51 K52 I57	N45-S49 WeakPolarHBondContact O-CA 3.27Å; N45-S49 WeakPolarHBondContact O-CB 3.32Å; N45-S49 PolarHBondContact O-N 3.05Å; N45-S49 PolarHBondContact O-OG 2.92Å; S49-D51 PolarHBondContact O-N 3.33Å; S49-K52 PolarHBondContact O-N 3.31Å; S49-I57 VanDerWaalsContact O-CD1 3.31Å; S49-I57 WeakPolarHBondContact O-CD1 3.34Å
50	S	63.7	Low	67.9	Low	34 Å²	34	83.3 Å²	83.3	24%	0.238	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.8	177.2	-74.9	0	0	0	0	113.1	N46 L48 K474	N46-S50 PolarHBondContact O-N 3.03Å; N46-S50 PolarHBondContact O-OG 2.77Å; L48-S50 VanDerWaalsContact C-N 3.3Å; L48-S50 PolarHBondContact O-N 3.49Å; S50-K474 PolarHBondContact OG-NZ 3.39Å
51	D	71.8	Confident	69.4	Low	137 Å²	137	80.5 Å²	80.5	73%	0.733	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-7.8	-179.2	-63.8	-18.8	0	0	0	112.6	L48 S49	L48-D51 PolarHBondContact O-N 3.17Å; S49-D51 PolarHBondContact O-N 3.33Å
52	K	82.1	Confident	71	Confident	61 Å²	61	76.5 Å²	76.5	27%	0.265	39%	0.391	S	S	.	.	S	Bend	trans	-72.9	143.4	177.9	-71.8	-176.9	176.8	-146.5	0	110.9	L48 S49 E56 I57	L48-K52 WeakPolarHBondContact O-CG 3.31Å; S49-K52 PolarHBondContact O-N 3.31Å; K52-E56 HydrophobicContact CB-CB 4.48Å; K52-E56 HydrophobicContact CD-CG 4.38Å; K52-E56 VanDerWaalsContact CD-OE1 3.24Å; K52-E56 WeakPolarHBondContact CD-OE1 3.26Å; K52-E56 WeakPolarHBondContact CE-OE1 3.4Å; K52-E56 IonicContact NZ-OE1 2.84Å; K52-E56 PolarHBondContact NZ-OE1 3.42Å; K52-I57 HydrophobicContact CB-CD1 3.89Å; K52-I57 HydrophobicContact CB-CG1 3.6Å; K52-I57 HydrophobicContact CD-CG1 4.42Å
53	M	84.5	Confident	72.7	Confident	73 Å²	73	72 Å²	72	36%	0.36	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-67.1	147.8	174.3	-62.6	161.4	72.2	0	0	109.7	L55 E56 I57 N470	M53-L55 PolarHBondContact O-N 3.06Å; M53-L55 VanDerWaalsContact O-N 3.13Å; M53-E56 WeakPolarHBondContact O-CB 3.45Å; M53-E56 PolarHBondContact O-N 3.4Å; M53-I57 PolarHBondContact O-N 2.97Å; M53-N470 VanDerWaalsContact CE-CA 3.43Å; M53-N470 HydrophobicContact CE-CB 3.55Å; M53-N470 WeakPolarHBondContact CE-OD1 3.29Å
54	L	84.9	Confident	74.5	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.026	35%	0.354	C	S	.	.	H	α-helix	trans	-47.5	-45.4	178.5	-83.8	179.5	0	0	0	113.3	E56 I57 Y58 F68 A471 E473 A476 W482	L54-E56 VanDerWaalsContact C-N 3.25Å; L54-E56 PolarHBondContact O-N 3Å; L54-I57 PolarHBondContact O-N 3.49Å; L54-Y58 HydrophobicContact CD2-CD2 3.94Å; L54-Y58 HydrophobicContact CD2-CE2 3.8Å; L54-Y58 WeakPolarHBondContact O-CD2 3.45Å; L54-Y58 PolarHBondContact O-N 3.36Å; L54-F68 HydrophobicContact CD2-CE1 4.48Å; L54-F68 HydrophobicContact CD2-CE2 3.78Å; L54-F68 HydrophobicContact CD2-CZ 3.44Å; L54-F68 VanDerWaalsContact CD2-CZ 3.44Å; L54-A471 WeakPolarHBondContact CG-O 3.3Å; L54-A471 PolarHBondContact N-O 3.03Å; L54-E473 HydrophobicContact CD2-CB 3.93Å; L54-E473 HydrophobicContact CD2-CG 4.35Å; L54-A476 HydrophobicContact CD1-CB 3.39Å; L54-A476 HydrophobicContact CG-CB 4.18Å; L54-W482 HydrophobicContact CD1-CD2 4.35Å; L54-W482 HydrophobicContact CD1-CH2 3.97Å; L54-W482 HydrophobicContact CD1-CZ2 3.68Å; L54-W482 HydrophobicContact CD1-CZ3 4.41Å
55	L	79.1	Confident	76.2	Confident	127 Å²	127	62.9 Å²	62.9	67%	0.665	33%	0.33	S	S	*	.	H	α-helix	trans	-71.4	-19.9	-176.7	-165.8	64.3	0	0	0	113.2	M53	M53-L55 PolarHBondContact O-N 3.06Å; M53-L55 VanDerWaalsContact O-N 3.13Å
56	E	83.5	Confident	77.9	Confident	103 Å²	103	64.1 Å²	64.1	48%	0.481	33%	0.332	S	S	.	.	H	α-helix	trans	-79	-37.6	172.8	-165.8	-167.9	150.5	0	0	111.2	K52 M53 L54 T59	K52-E56 HydrophobicContact CB-CB 4.48Å; K52-E56 HydrophobicContact CD-CG 4.38Å; K52-E56 VanDerWaalsContact CD-OE1 3.24Å; K52-E56 WeakPolarHBondContact CD-OE1 3.26Å; K52-E56 WeakPolarHBondContact CE-OE1 3.4Å; K52-E56 IonicContact NZ-OE1 2.84Å; K52-E56 PolarHBondContact NZ-OE1 3.42Å; M53-E56 WeakPolarHBondContact O-CB 3.45Å; M53-E56 PolarHBondContact O-N 3.4Å; L54-E56 VanDerWaalsContact C-N 3.25Å; L54-E56 PolarHBondContact O-N 3Å; E56-T59 WeakPolarHBondContact O-CG2 3.27Å
57	I	84.3	Confident	79.7	Confident	48 Å²	48	64.9 Å²	64.9	25%	0.246	33%	0.333	C	S	.	.	H	α-helix	trans	-75.7	-49.1	179.3	-58	172	0	0	0	110.4	S49 K52 M53 L54 T59	S49-I57 VanDerWaalsContact O-CD1 3.31Å; S49-I57 WeakPolarHBondContact O-CD1 3.34Å; K52-I57 HydrophobicContact CB-CD1 3.89Å; K52-I57 HydrophobicContact CB-CG1 3.6Å; K52-I57 HydrophobicContact CD-CG1 4.42Å; M53-I57 PolarHBondContact O-N 2.97Å; L54-I57 PolarHBondContact O-N 3.49Å; I57-T59 PolarHBondContact O-N 3.38Å
58	Y	87.3	Confident	81.5	Confident	25 Å²	25	60 Å²	60	10%	0.098	31%	0.306	C	S	.	.			trans	-104	74.8	-178	-54.7	-78.2	0	0	0	109.8	L54 T60 D63 H67 F68 E473	L54-Y58 HydrophobicContact CD2-CD2 3.94Å; L54-Y58 HydrophobicContact CD2-CE2 3.8Å; L54-Y58 WeakPolarHBondContact O-CD2 3.45Å; L54-Y58 PolarHBondContact O-N 3.36Å; Y58-T60 PolarHBondContact O-N 2.91Å; Y58-D63 HydrophobicContact CD1-CB 4.24Å; Y58-H67 HydrophobicContact CD1-CB 4.4Å; Y58-H67 HydrophobicContact CE1-CB 3.66Å; Y58-H67 AromaticContact CE1-CG 3.79Å; Y58-H67 AromaticContact CZ-CD2 3.93Å; Y58-H67 AromaticContact CZ-CG 3.74Å; Y58-H67 PolarHBondContact OH-CD2 2.88Å; Y58-H67 PolarHBondContact OH-CE1 2.78Å; Y58-H67 VanDerWaalsContact OH-CE1 3.27Å; Y58-H67 VanDerWaalsContact OH-CG 3.28Å; Y58-H67 PolarHBondContact OH-ND1 3.32Å; Y58-H67 PolarHBondContact OH-NE2 2.88Å; Y58-F68 AromaticContact CD2-CE2 3.73Å; Y58-F68 HydrophobicContact CD2-CE2 3.73Å; Y58-F68 HydrophobicContact CD2-CZ 4.39Å; Y58-F68 AromaticContact CE2-CE2 3.47Å; Y58-F68 HydrophobicContact CE2-CE2 3.47Å; Y58-F68 VanDerWaalsContact CE2-CE2 3.47Å; Y58-F68 AromaticContact CE2-CZ 3.75Å; Y58-F68 HydrophobicContact CE2-CZ 3.75Å; Y58-F68 HydrophobicContact CG-CE2 4.37Å; Y58-F68 AromaticContact CZ-CE2 3.88Å; Y58-E473 PolarHBondContact OH-OE2 3.35Å
59	T	81.6	Confident	83.2	Confident	103 Å²	103	55.2 Å²	55.2	63%	0.632	28%	0.281	S	S	*	.			trans	-65.7	-23.4	-174.1	59.2	0	0	0	0	113.6	E56 I57	E56-T59 WeakPolarHBondContact O-CG2 3.27Å; I57-T59 PolarHBondContact O-N 3.38Å
60	T	83.7	Confident	84.8	Confident	45 Å²	45	56.9 Å²	56.9	28%	0.276	29%	0.291	S	S	.	.	S	Bend	trans	-115.3	151.7	178.2	80.8	0	0	0	0	112.1	Y58 I62 D63 F64	Y58-T60 PolarHBondContact O-N 2.91Å; T60-I62 PolarHBondContact O-N 2.83Å; T60-I62 VanDerWaalsContact O-N 3.14Å; T60-I62 PolarHBondContact OG1-N 3.44Å; T60-D63 PolarHBondContact O-N 3.46Å; T60-D63 VanDerWaalsContact OG1-CG 3.23Å; T60-D63 PolarHBondContact OG1-N 3.37Å; T60-D63 PolarHBondContact OG1-OD2 2.92Å; T60-F64 PolarHBondContact O-N 3.49Å; T60-F64 VanDerWaalsContact O-N 3.12Å
61	W	83.9	Confident	86.1	Confident	68 Å²	68	59 Å²	59	26%	0.258	30%	0.302	S	S	.	.	H	α-helix	trans	-52.7	-34.8	172	167.5	-110.1	0	0	0	112.5	F64 A65 V69 I489	W61-F64 AromaticContact CE3-CD1 3.88Å; W61-F64 HydrophobicContact CE3-CD1 3.88Å; W61-F64 HydrophobicContact CE3-CE1 4.41Å; W61-F64 HydrophobicContact CH2-CD1 4.44Å; W61-F64 HydrophobicContact CH2-CE1 4.48Å; W61-F64 AromaticContact CZ3-CD1 3.63Å; W61-F64 HydrophobicContact CZ3-CD1 3.63Å; W61-F64 AromaticContact CZ3-CE1 3.75Å; W61-F64 HydrophobicContact CZ3-CE1 3.75Å; W61-A65 HydrophobicContact CD2-CB 4.4Å; W61-A65 HydrophobicContact CZ2-CB 4.07Å; W61-A65 WeakPolarHBondContact O-CB 3.36Å; W61-A65 PolarHBondContact O-N 3.27Å; W61-V69 HydrophobicContact CH2-CG2 4.4Å; W61-I489 HydrophobicContact CH2-CD1 4.16Å; W61-I489 HydrophobicContact CH2-CG2 3.77Å; W61-I489 HydrophobicContact CZ2-CG2 4.39Å; W61-I489 HydrophobicContact CZ3-CD1 4.32Å
62	I	87.3	Confident	87.1	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.015	27%	0.268	C	S	.	.	H	α-helix	trans	-74.5	-40.8	-176.2	-76.3	163.5	0	0	0	111.6	T60 F64 A65 K66 R134 V135 Q137	T60-I62 PolarHBondContact O-N 2.83Å; T60-I62 VanDerWaalsContact O-N 3.14Å; T60-I62 PolarHBondContact OG1-N 3.44Å; I62-F64 VanDerWaalsContact C-N 3.31Å; I62-A65 PolarHBondContact O-N 3.45Å; I62-K66 HydrophobicContact CG2-CD 4Å; I62-K66 VanDerWaalsContact CG2-CE 3.41Å; I62-K66 HydrophobicContact CG2-CG 4.25Å; I62-K66 WeakPolarHBondContact O-CB 3.26Å; I62-K66 VanDerWaalsContact O-CG 3.24Å; I62-K66 WeakPolarHBondContact O-CG 3.24Å; I62-K66 PolarHBondContact O-N 3.26Å; I62-R134 WeakPolarHBondContact CD1-O 3.37Å; I62-R134 WeakPolarHBondContact CG1-O 3.39Å; I62-V135 WeakPolarHBondContact CD1-O 3.19Å; I62-Q137 HydrophobicContact CD1-CB 4.44Å; I62-Q137 HydrophobicContact CD1-CG 3.09Å; I62-Q137 HydrophobicContact CG1-CG 4.43Å
63	D	87.2	Confident	87.5	Confident	54 Å²	54	50.1 Å²	50.1	29%	0.289	26%	0.258	S	S	.	.	H	α-helix	trans	-66.5	-41.2	178.1	-58.3	-39.9	0	0	0	110.1	Y58 T60 K66 H67	Y58-D63 HydrophobicContact CD1-CB 4.24Å; T60-D63 PolarHBondContact O-N 3.46Å; T60-D63 VanDerWaalsContact OG1-CG 3.23Å; T60-D63 PolarHBondContact OG1-N 3.37Å; T60-D63 PolarHBondContact OG1-OD2 2.92Å; D63-K66 IonicContact OD1-NZ 3.75Å; D63-H67 PolarHBondContact O-N 2.92Å
64	F	89.3	Confident	87.8	Confident	23 Å²	23	52.4 Å²	52.4	10%	0.101	27%	0.266	C	S	.	.	H	α-helix	trans	-58.2	-49.4	170.1	178.7	-90.7	0	0	0	111.7	T60 W61 I62 H67 F68 W482 F486 I489	T60-F64 PolarHBondContact O-N 3.49Å; T60-F64 VanDerWaalsContact O-N 3.12Å; W61-F64 AromaticContact CE3-CD1 3.88Å; W61-F64 HydrophobicContact CE3-CD1 3.88Å; W61-F64 HydrophobicContact CE3-CE1 4.41Å; W61-F64 HydrophobicContact CH2-CD1 4.44Å; W61-F64 HydrophobicContact CH2-CE1 4.48Å; W61-F64 AromaticContact CZ3-CD1 3.63Å; W61-F64 HydrophobicContact CZ3-CD1 3.63Å; W61-F64 AromaticContact CZ3-CE1 3.75Å; W61-F64 HydrophobicContact CZ3-CE1 3.75Å; I62-F64 VanDerWaalsContact C-N 3.31Å; F64-H67 PolarHBondContact O-N 3.07Å; F64-F68 AromaticContact CD2-CD2 3.6Å; F64-F68 HydrophobicContact CD2-CD2 3.6Å; F64-F68 AromaticContact CD2-CE2 3.93Å; F64-F68 HydrophobicContact CD2-CE2 3.93Å; F64-F68 AromaticContact CE2-CD2 3.67Å; F64-F68 HydrophobicContact CE2-CD2 3.67Å; F64-F68 HydrophobicContact CE2-CE2 4.08Å; F64-F68 HydrophobicContact CE2-CG 4.44Å; F64-F68 HydrophobicContact CG-CD2 4.1Å; F64-F68 HydrophobicContact CZ-CD2 4.23Å; F64-F68 WeakPolarHBondContact O-CD2 3.28Å; F64-F68 PolarHBondContact O-N 2.83Å; F64-W482 HydrophobicContact CE2-CZ3 4.11Å; F64-W482 AromaticContact CZ-CZ3 3.98Å; F64-W482 HydrophobicContact CZ-CZ3 3.98Å; F64-F486 HydrophobicContact CE1-CE1 4.36Å; F64-F486 HydrophobicContact CE2-CE1 4.07Å; F64-F486 HydrophobicContact CZ-CD1 4.15Å; F64-F486 AromaticContact CZ-CE1 3.56Å; F64-F486 HydrophobicContact CZ-CE1 3.56Å; F64-I489 HydrophobicContact CE1-CD1 4.3Å
65	A	90.7	Very high	88.1	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-69.5	-38.1	-175.4	0	0	0	0	0	113.2	W61 I62 H67 V69 P70 L73	W61-A65 HydrophobicContact CD2-CB 4.4Å; W61-A65 HydrophobicContact CZ2-CB 4.07Å; W61-A65 WeakPolarHBondContact O-CB 3.36Å; W61-A65 PolarHBondContact O-N 3.27Å; I62-A65 PolarHBondContact O-N 3.45Å; A65-H67 PolarHBondContact O-N 2.9Å; A65-V69 HydrophobicContact CB-CG2 3.82Å; A65-V69 CarbonylContact O-C 2.97Å; A65-V69 WeakPolarHBondContact O-CA 3.49Å; A65-V69 PolarHBondContact O-N 3.15Å; A65-P70 VanDerWaalsContact O-N 3.1Å; A65-L73 HydrophobicContact CB-CB 4.29Å; A65-L73 HydrophobicContact CB-CD2 4.38Å
66	K	90.2	Very high	88.5	Confident	103 Å²	103	47.6 Å²	47.6	45%	0.448	24%	0.241	S	C	.	.	H	α-helix	trans	-57.8	-36.8	173.8	-78.1	170.9	-176.2	161.4	0	111.5	I62 D63 L73	I62-K66 HydrophobicContact CG2-CD 4Å; I62-K66 VanDerWaalsContact CG2-CE 3.41Å; I62-K66 HydrophobicContact CG2-CG 4.25Å; I62-K66 WeakPolarHBondContact O-CB 3.26Å; I62-K66 VanDerWaalsContact O-CG 3.24Å; I62-K66 WeakPolarHBondContact O-CG 3.24Å; I62-K66 PolarHBondContact O-N 3.26Å; D63-K66 IonicContact OD1-NZ 3.75Å; K66-L73 HydrophobicContact CB-CD2 4.4Å; K66-L73 HydrophobicContact CG-CD2 3.55Å
67	H	90.3	Very high	88.9	Confident	86 Å²	86	45.3 Å²	45.3	40%	0.398	23%	0.228	S	C	.	.	H	α-helix	trans	-84.7	-53.8	-176.9	-171.5	90.9	0	0	0	112.4	Y58 D63 F64 A65 E473	Y58-H67 HydrophobicContact CD1-CB 4.4Å; Y58-H67 HydrophobicContact CE1-CB 3.66Å; Y58-H67 AromaticContact CE1-CG 3.79Å; Y58-H67 AromaticContact CZ-CD2 3.93Å; Y58-H67 AromaticContact CZ-CG 3.74Å; Y58-H67 PolarHBondContact OH-CD2 2.88Å; Y58-H67 PolarHBondContact OH-CE1 2.78Å; Y58-H67 VanDerWaalsContact OH-CE1 3.27Å; Y58-H67 VanDerWaalsContact OH-CG 3.28Å; Y58-H67 PolarHBondContact OH-ND1 3.32Å; Y58-H67 PolarHBondContact OH-NE2 2.88Å; D63-H67 PolarHBondContact O-N 2.92Å; F64-H67 PolarHBondContact O-N 3.07Å; A65-H67 PolarHBondContact O-N 2.9Å; H67-E473 IonicContact CE1-OE1 3.71Å; H67-E473 PolarHBondContact CE1-OE1 3.47Å; H67-E473 IonicContact NE2-OE1 3.43Å; H67-E473 PolarHBondContact NE2-OE1 2.95Å
68	F	91	Very high	89.2	Confident	24 Å²	24	48.9 Å²	48.9	11%	0.105	24%	0.24	C	C	.	.	H	α-helix	trans	-93.5	-28.6	-170.8	-64.4	-73.3	0	0	0	115	L54 Y58 F64 E473 L477 F486	L54-F68 HydrophobicContact CD2-CE1 4.48Å; L54-F68 HydrophobicContact CD2-CE2 3.78Å; L54-F68 HydrophobicContact CD2-CZ 3.44Å; L54-F68 VanDerWaalsContact CD2-CZ 3.44Å; Y58-F68 AromaticContact CD2-CE2 3.73Å; Y58-F68 HydrophobicContact CD2-CE2 3.73Å; Y58-F68 HydrophobicContact CD2-CZ 4.39Å; Y58-F68 AromaticContact CE2-CE2 3.47Å; Y58-F68 HydrophobicContact CE2-CE2 3.47Å; Y58-F68 VanDerWaalsContact CE2-CE2 3.47Å; Y58-F68 AromaticContact CE2-CZ 3.75Å; Y58-F68 HydrophobicContact CE2-CZ 3.75Å; Y58-F68 HydrophobicContact CG-CE2 4.37Å; Y58-F68 AromaticContact CZ-CE2 3.88Å; F64-F68 AromaticContact CD2-CD2 3.6Å; F64-F68 HydrophobicContact CD2-CD2 3.6Å; F64-F68 AromaticContact CD2-CE2 3.93Å; F64-F68 HydrophobicContact CD2-CE2 3.93Å; F64-F68 AromaticContact CE2-CD2 3.67Å; F64-F68 HydrophobicContact CE2-CD2 3.67Å; F64-F68 HydrophobicContact CE2-CE2 4.08Å; F64-F68 HydrophobicContact CE2-CG 4.44Å; F64-F68 HydrophobicContact CG-CD2 4.1Å; F64-F68 HydrophobicContact CZ-CD2 4.23Å; F64-F68 WeakPolarHBondContact O-CD2 3.28Å; F64-F68 PolarHBondContact O-N 2.83Å; F68-E473 HydrophobicContact CZ-CG 4.18Å; F68-L477 HydrophobicContact CD1-CD2 4.2Å; F68-L477 HydrophobicContact CE1-CD2 3.85Å; F68-L477 HydrophobicContact CE1-CG 4.28Å; F68-F486 HydrophobicContact CB-CD1 3.74Å; F68-F486 HydrophobicContact CB-CE1 3.57Å; F68-F486 HydrophobicContact CB-CE2 4.42Å; F68-F486 HydrophobicContact CB-CG 4.25Å; F68-F486 HydrophobicContact CB-CZ 3.95Å; F68-F486 HydrophobicContact CD1-CD2 4.37Å; F68-F486 AromaticContact CD1-CE1 3.82Å; F68-F486 HydrophobicContact CD1-CE1 3.82Å; F68-F486 AromaticContact CD1-CE2 3.6Å; F68-F486 HydrophobicContact CD1-CE2 3.6Å; F68-F486 AromaticContact CD1-CZ 3.28Å; F68-F486 HydrophobicContact CD1-CZ 3.28Å; F68-F486 HydrophobicContact CD2-CE1 4.23Å; F68-F486 HydrophobicContact CD2-CZ 4.32Å; F68-F486 HydrophobicContact CE1-CE2 4.23Å; F68-F486 AromaticContact CE1-CZ 3.83Å; F68-F486 HydrophobicContact CE1-CZ 3.83Å; F68-F486 HydrophobicContact CG-CD1 4.28Å; F68-F486 AromaticContact CG-CE1 3.6Å; F68-F486 HydrophobicContact CG-CE1 3.6Å; F68-F486 HydrophobicContact CG-CE2 4.22Å; F68-F486 AromaticContact CG-CZ 3.58Å; F68-F486 HydrophobicContact CG-CZ 3.58Å
69	V	92.6	Very high	89.4	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.012	25%	0.246	C	C	.	.			trans	-137.1	52.7	-174.6	-67.7	0	0	0	0	112.6	W61 A65 T71 A72 L73 F486 I489	W61-V69 HydrophobicContact CH2-CG2 4.4Å; A65-V69 HydrophobicContact CB-CG2 3.82Å; A65-V69 CarbonylContact O-C 2.97Å; A65-V69 WeakPolarHBondContact O-CA 3.49Å; A65-V69 PolarHBondContact O-N 3.15Å; V69-T71 PolarHBondContact O-N 3.28Å; V69-T71 VanDerWaalsContact O-N 3.17Å; V69-A72 HydrophobicContact CB-CB 4Å; V69-A72 HydrophobicContact CG2-CB 4.29Å; V69-A72 WeakPolarHBondContact O-CB 3.34Å; V69-A72 PolarHBondContact O-N 2.85Å; V69-L73 PolarHBondContact O-N 3.22Å; V69-F486 HydrophobicContact CG1-CB 3.95Å; V69-F486 HydrophobicContact CG1-CD1 4.35Å; V69-F486 WeakPolarHBondContact CG1-O 3.44Å; V69-I489 HydrophobicContact CB-CG2 4.25Å; V69-I489 HydrophobicContact CG1-CB 4.31Å; V69-I489 HydrophobicContact CG1-CG2 4.01Å; V69-I489 HydrophobicContact CG2-CG2 3.97Å
70	P	92.7	Very high	89.9	Confident	69 Å²	69	44.7 Å²	44.7	45%	0.448	22%	0.216	S	C	.	.	H	α-helix	trans	-61.5	-31.7	-172.9	24.3	-34.9	0	0	0	113	A65 L73 F74	A65-P70 VanDerWaalsContact O-N 3.1Å; P70-L73 PolarHBondContact O-N 3.18Å; P70-F74 WeakPolarHBondContact O-CB 3.39Å; P70-F74 PolarHBondContact O-N 3.26Å
71	T	91.1	Very high	90.4	Very high	78 Å²	78	45.4 Å²	45.4	48%	0.479	22%	0.218	S	C	.	.	H	α-helix	trans	-66	-40.1	176.4	-50.6	0	0	0	0	112	V69 F74 V75 F494	V69-T71 PolarHBondContact O-N 3.28Å; V69-T71 VanDerWaalsContact O-N 3.17Å; T71-F74 PolarHBondContact O-N 3.4Å; T71-V75 VanDerWaalsContact O-CG2 3.3Å; T71-V75 WeakPolarHBondContact O-CG2 3.49Å; T71-V75 PolarHBondContact O-N 3.01Å; T71-F494 HydrophobicContact CG2-CE2 4.06Å; T71-F494 HydrophobicContact CG2-CZ 4.09Å
72	A	91.3	Very high	90.9	Very high	2 Å²	2	46.4 Å²	46.4	2%	0.017	23%	0.228	C	C	.	.	H	α-helix	trans	-61.6	-48.1	175.6	0	0	0	0	0	110.2	V69 F74 V75 D76 I489 A493	V69-A72 HydrophobicContact CB-CB 4Å; V69-A72 HydrophobicContact CG2-CB 4.29Å; V69-A72 WeakPolarHBondContact O-CB 3.34Å; V69-A72 PolarHBondContact O-N 2.85Å; A72-F74 VanDerWaalsContact C-N 3.33Å; A72-F74 PolarHBondContact O-N 3.13Å; A72-V75 PolarHBondContact O-N 3.34Å; A72-D76 PolarHBondContact O-N 3.18Å; A72-I489 HydrophobicContact CB-CG2 4.48Å; A72-A493 HydrophobicContact CB-CB 3.72Å
73	L	91.4	Very high	91.3	Very high	11 Å²	11	47.3 Å²	47.3	6%	0.058	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-38.2	177.6	-175.6	64	0	0	0	112.8	A65 K66 V69 P70 R77 V135	A65-L73 HydrophobicContact CB-CB 4.29Å; A65-L73 HydrophobicContact CB-CD2 4.38Å; K66-L73 HydrophobicContact CB-CD2 4.4Å; K66-L73 HydrophobicContact CG-CD2 3.55Å; V69-L73 PolarHBondContact O-N 3.22Å; P70-L73 PolarHBondContact O-N 3.18Å; L73-R77 HydrophobicContact CD1-CG 4.48Å; L73-R77 WeakPolarHBondContact O-CB 3.41Å; L73-R77 VanDerWaalsContact O-CG 3.31Å; L73-R77 WeakPolarHBondContact O-CG 3.31Å; L73-R77 PolarHBondContact O-N 3.03Å; L73-V135 HydrophobicContact CD1-CG1 4.29Å
74	F	91.2	Very high	91.7	Very high	121 Å²	121	45.9 Å²	45.9	53%	0.531	22%	0.221	S	C	.	.	H	α-helix	trans	-61.8	-46.7	175.3	175.4	-87.1	0	0	0	111.4	P70 T71 A72 R77 Y78	P70-F74 WeakPolarHBondContact O-CB 3.39Å; P70-F74 PolarHBondContact O-N 3.26Å; T71-F74 PolarHBondContact O-N 3.4Å; A72-F74 VanDerWaalsContact C-N 3.33Å; A72-F74 PolarHBondContact O-N 3.13Å; F74-R77 PolarHBondContact O-N 3.26Å; F74-Y78 HydrophobicContact CD1-CD2 4.31Å; F74-Y78 AromaticContact CD2-CD2 3.34Å; F74-Y78 HydrophobicContact CD2-CD2 3.34Å; F74-Y78 AromaticContact CD2-CE2 3.42Å; F74-Y78 HydrophobicContact CD2-CE2 3.42Å; F74-Y78 VanDerWaalsContact CD2-CE2 3.42Å; F74-Y78 HydrophobicContact CE1-CD2 4.29Å; F74-Y78 AromaticContact CE2-CD2 3.31Å; F74-Y78 HydrophobicContact CE2-CD2 3.31Å; F74-Y78 AromaticContact CE2-CE2 3.51Å; F74-Y78 HydrophobicContact CE2-CE2 3.51Å; F74-Y78 HydrophobicContact CE2-CG 4.24Å; F74-Y78 AromaticContact CG-CD2 3.86Å; F74-Y78 HydrophobicContact CG-CD2 3.86Å; F74-Y78 HydrophobicContact CG-CE2 4.28Å; F74-Y78 AromaticContact CZ-CD2 3.82Å; F74-Y78 HydrophobicContact CZ-CD2 3.82Å; F74-Y78 HydrophobicContact CZ-CE2 4.42Å; F74-Y78 HydrophobicContact CZ-CG 4.4Å; F74-Y78 VanDerWaalsContact O-CD2 3.26Å; F74-Y78 WeakPolarHBondContact O-CD2 3.44Å; F74-Y78 PolarHBondContact O-N 3.08Å
75	V	90	Very high	92.1	Very high	9 Å²	9	50.2 Å²	50.2	6%	0.055	24%	0.244	C	C	.	.	H	α-helix	trans	-61.6	-51.8	178.9	167.5	0	0	0	0	110.2	T71 A72 R77 Y78 V79 F494 E497	T71-V75 VanDerWaalsContact O-CG2 3.3Å; T71-V75 WeakPolarHBondContact O-CG2 3.49Å; T71-V75 PolarHBondContact O-N 3.01Å; A72-V75 PolarHBondContact O-N 3.34Å; V75-R77 PolarHBondContact O-N 3.06Å; V75-Y78 PolarHBondContact O-N 3.36Å; V75-V79 HydrophobicContact CB-CG2 4.5Å; V75-V79 HydrophobicContact CG1-CB 4.49Å; V75-V79 HydrophobicContact CG1-CG2 4.12Å; V75-V79 WeakPolarHBondContact O-CB 3.46Å; V75-V79 WeakPolarHBondContact O-CG2 3.42Å; V75-V79 PolarHBondContact O-N 2.94Å; V75-F494 HydrophobicContact CG1-CD1 4.29Å; V75-F494 HydrophobicContact CG1-CE1 4.42Å; V75-F494 HydrophobicContact CG2-CD1 4.23Å; V75-F494 HydrophobicContact CG2-CE1 3.59Å; V75-F494 HydrophobicContact CG2-CE2 4.07Å; V75-F494 HydrophobicContact CG2-CZ 3.5Å; V75-F494 VanDerWaalsContact CG2-CZ 3.5Å; V75-E497 HydrophobicContact CG1-CB 4.18Å; V75-E497 HydrophobicContact CG1-CG 3.44Å; V75-E497 VanDerWaalsContact CG1-CG 3.44Å
76	D	89.1	Confident	92.3	Very high	22 Å²	22	53.4 Å²	53.4	12%	0.118	26%	0.261	C	S	.	.	H	α-helix	trans	-56.8	-32	176.5	-73	7.4	0	0	0	112.7	A72 T80 V135	A72-D76 PolarHBondContact O-N 3.18Å; D76-T80 WeakPolarHBondContact O-CB 3.49Å; D76-T80 WeakPolarHBondContact O-CG2 3.32Å; D76-T80 PolarHBondContact O-OG1 3.22Å; D76-V135 HydrophobicContact CB-CG2 4.5Å
77	R	90.7	Very high	92.7	Very high	54 Å²	54	48.5 Å²	48.5	20%	0.204	24%	0.24	C	C	.	.	H	α-helix	trans	-80.7	-48.9	-179.5	-82	179.1	175.4	-166.1	-4.1	113.6	L73 F74 V75 T80 I81 V135 W136	L73-R77 HydrophobicContact CD1-CG 4.48Å; L73-R77 WeakPolarHBondContact O-CB 3.41Å; L73-R77 VanDerWaalsContact O-CG 3.31Å; L73-R77 WeakPolarHBondContact O-CG 3.31Å; L73-R77 PolarHBondContact O-N 3.03Å; F74-R77 PolarHBondContact O-N 3.26Å; V75-R77 PolarHBondContact O-N 3.06Å; R77-T80 PolarHBondContact O-OG1 3.35Å; R77-I81 VanDerWaalsContact O-CD1 3.25Å; R77-I81 WeakPolarHBondContact O-CD1 3.3Å; R77-I81 VanDerWaalsContact O-CG1 3.27Å; R77-I81 WeakPolarHBondContact O-CG1 3.35Å; R77-V135 HydrophobicContact CB-CG1 4.38Å; R77-V135 HydrophobicContact CG-CG1 3.2Å; R77-V135 PolarHBondContact NE-O 3.28Å; R77-V135 PolarHBondContact NH2-O 2.99Å; R77-W136 HydrophobicContact CB-CZ2 4.35Å; R77-W136 HydrophobicContact CG-CZ2 4.28Å
78	Y	90.5	Very high	93.1	Very high	123 Å²	123	47 Å²	47	48%	0.482	23%	0.232	S	C	.	.	H	α-helix	trans	-97.9	-31.4	-166.6	-64.9	-71.3	0	0	0	112.9	F74 V75	F74-Y78 HydrophobicContact CD1-CD2 4.31Å; F74-Y78 AromaticContact CD2-CD2 3.34Å; F74-Y78 HydrophobicContact CD2-CD2 3.34Å; F74-Y78 AromaticContact CD2-CE2 3.42Å; F74-Y78 HydrophobicContact CD2-CE2 3.42Å; F74-Y78 VanDerWaalsContact CD2-CE2 3.42Å; F74-Y78 HydrophobicContact CE1-CD2 4.29Å; F74-Y78 AromaticContact CE2-CD2 3.31Å; F74-Y78 HydrophobicContact CE2-CD2 3.31Å; F74-Y78 AromaticContact CE2-CE2 3.51Å; F74-Y78 HydrophobicContact CE2-CE2 3.51Å; F74-Y78 HydrophobicContact CE2-CG 4.24Å; F74-Y78 AromaticContact CG-CD2 3.86Å; F74-Y78 HydrophobicContact CG-CD2 3.86Å; F74-Y78 HydrophobicContact CG-CE2 4.28Å; F74-Y78 AromaticContact CZ-CD2 3.82Å; F74-Y78 HydrophobicContact CZ-CD2 3.82Å; F74-Y78 HydrophobicContact CZ-CE2 4.42Å; F74-Y78 HydrophobicContact CZ-CG 4.4Å; F74-Y78 VanDerWaalsContact O-CD2 3.26Å; F74-Y78 WeakPolarHBondContact O-CD2 3.44Å; F74-Y78 PolarHBondContact O-N 3.08Å; V75-Y78 PolarHBondContact O-N 3.36Å
79	V	91.6	Very high	93.4	Very high	39 Å²	39	48.8 Å²	48.8	24%	0.236	25%	0.246	C	C	.	.	H	α-helix	trans	-73.6	-41.5	178.9	-177.4	0	0	0	0	110.4	V75 I81 I82 Y83 E497	V75-V79 HydrophobicContact CB-CG2 4.5Å; V75-V79 HydrophobicContact CG1-CB 4.49Å; V75-V79 HydrophobicContact CG1-CG2 4.12Å; V75-V79 WeakPolarHBondContact O-CB 3.46Å; V75-V79 WeakPolarHBondContact O-CG2 3.42Å; V75-V79 PolarHBondContact O-N 2.94Å; V79-I81 VanDerWaalsContact C-N 3.34Å; V79-I81 PolarHBondContact O-N 2.96Å; V79-I82 WeakPolarHBondContact O-CB 3.5Å; V79-I82 PolarHBondContact O-N 3.49Å; V79-I82 VanDerWaalsContact O-N 3.1Å; V79-Y83 HydrophobicContact CG1-CD2 4.29Å; V79-Y83 HydrophobicContact CG1-CE1 4.3Å; V79-Y83 HydrophobicContact CG1-CE2 3.52Å; V79-Y83 VanDerWaalsContact CG1-CZ 3.49Å; V79-Y83 WeakPolarHBondContact CG1-OH 3.3Å; V79-Y83 PolarHBondContact O-N 3.13Å; V79-E497 HydrophobicContact CB-CG 4.35Å; V79-E497 HydrophobicContact CG1-CB 4.21Å; V79-E497 HydrophobicContact CG1-CG 4.34Å
80	T	92.9	Very high	93.7	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-58.6	-40.6	175.4	56.6	0	0	0	0	112.9	D76 R77 I82 Y83 Y84 E497 L500	D76-T80 WeakPolarHBondContact O-CB 3.49Å; D76-T80 WeakPolarHBondContact O-CG2 3.32Å; D76-T80 PolarHBondContact O-OG1 3.22Å; R77-T80 PolarHBondContact O-OG1 3.35Å; T80-I82 VanDerWaalsContact C-N 3.28Å; T80-I82 PolarHBondContact O-N 3.31Å; T80-Y83 CarbonylContact O-C 3.58Å; T80-Y83 WeakPolarHBondContact O-CA 3.48Å; T80-Y83 WeakPolarHBondContact O-CB 3.44Å; T80-Y83 PolarHBondContact O-N 3.44Å; T80-Y84 WeakPolarHBondContact O-CD2 3.32Å; T80-Y84 PolarHBondContact O-N 3.11Å; T80-E497 VanDerWaalsContact CG2-CD 3.44Å; T80-E497 WeakPolarHBondContact CG2-OE1 3.26Å; T80-E497 WeakPolarHBondContact CG2-OE2 3.5Å; T80-L500 HydrophobicContact CG2-CD2 4.26Å
81	I	93.7	Very high	93.9	Very high	61 Å²	61	45.6 Å²	45.6	31%	0.313	23%	0.226	S	C	.	.	H	α-helix	trans	-57.1	-42.8	175.4	-68.6	169.9	0	0	0	111.1	R77 V79 Y83 Y84 I85 W136	R77-I81 VanDerWaalsContact O-CD1 3.25Å; R77-I81 WeakPolarHBondContact O-CD1 3.3Å; R77-I81 VanDerWaalsContact O-CG1 3.27Å; R77-I81 WeakPolarHBondContact O-CG1 3.35Å; V79-I81 VanDerWaalsContact C-N 3.34Å; V79-I81 PolarHBondContact O-N 2.96Å; I81-Y83 VanDerWaalsContact C-N 3.27Å; I81-Y83 PolarHBondContact O-N 3.11Å; I81-Y84 PolarHBondContact O-N 2.98Å; I81-I85 HydrophobicContact CG2-CD1 3.76Å; I81-I85 HydrophobicContact CG2-CG1 4.34Å; I81-I85 WeakPolarHBondContact O-CG1 3.25Å; I81-I85 PolarHBondContact O-N 3.04Å; I81-W136 HydrophobicContact CD1-CH2 4.23Å; I81-W136 HydrophobicContact CD1-CZ2 3.81Å
82	I	94.2	Very high	94.3	Very high	89 Å²	89	46.6 Å²	46.6	46%	0.456	22%	0.224	S	C	.	.	H	α-helix	trans	-61.1	-41.2	177.5	-63.2	168.4	0	0	0	109.9	V79 T80 I85 L86	V79-I82 WeakPolarHBondContact O-CB 3.5Å; V79-I82 PolarHBondContact O-N 3.49Å; V79-I82 VanDerWaalsContact O-N 3.1Å; T80-I82 VanDerWaalsContact C-N 3.28Å; T80-I82 PolarHBondContact O-N 3.31Å; I82-I85 PolarHBondContact O-N 3.39Å; I82-L86 HydrophobicContact CG2-CD1 3.83Å; I82-L86 WeakPolarHBondContact O-CB 3.43Å; I82-L86 WeakPolarHBondContact O-CG 3.43Å; I82-L86 PolarHBondContact O-N 3.49Å
83	Y	95.6	Very high	94.6	Very high	22 Å²	22	49 Å²	49	9%	0.086	24%	0.236	C	C	.	.	H	α-helix	trans	-66.2	-35.5	176.4	-60.6	-32.1	0	0	0	112.9	V79 T80 I81 G87 E497 L500 A504 F505	V79-Y83 HydrophobicContact CG1-CD2 4.29Å; V79-Y83 HydrophobicContact CG1-CE1 4.3Å; V79-Y83 HydrophobicContact CG1-CE2 3.52Å; V79-Y83 VanDerWaalsContact CG1-CZ 3.49Å; V79-Y83 WeakPolarHBondContact CG1-OH 3.3Å; V79-Y83 PolarHBondContact O-N 3.13Å; T80-Y83 CarbonylContact O-C 3.58Å; T80-Y83 WeakPolarHBondContact O-CA 3.48Å; T80-Y83 WeakPolarHBondContact O-CB 3.44Å; T80-Y83 PolarHBondContact O-N 3.44Å; I81-Y83 VanDerWaalsContact C-N 3.27Å; I81-Y83 PolarHBondContact O-N 3.11Å; Y83-G87 VanDerWaalsContact O-CA 3.26Å; Y83-G87 WeakPolarHBondContact O-CA 3.44Å; Y83-G87 PolarHBondContact O-N 3.28Å; Y83-E497 HydrophobicContact CE2-CB 4.24Å; Y83-E497 WeakPolarHBondContact CE2-O 3.4Å; Y83-E497 VanDerWaalsContact CE2-OE2 3.27Å; Y83-E497 WeakPolarHBondContact CE2-OE2 3.14Å; Y83-E497 PolarHBondContact OH-O 3.08Å; Y83-L500 HydrophobicContact CD2-CB 4.3Å; Y83-L500 HydrophobicContact CD2-CD2 4Å; Y83-L500 HydrophobicContact CD2-CG 4.29Å; Y83-L500 HydrophobicContact CE2-CB 4.38Å; Y83-A504 HydrophobicContact CD1-CB 4.02Å; Y83-A504 HydrophobicContact CG-CB 4.21Å; Y83-A504 WeakPolarHBondContact O-CB 3.46Å; Y83-F505 AromaticContact CD1-CE1 3.95Å; Y83-F505 HydrophobicContact CD1-CE1 3.95Å; Y83-F505 HydrophobicContact CD1-CZ 4.13Å; Y83-F505 HydrophobicContact CE1-CE1 4.01Å; Y83-F505 HydrophobicContact CE1-CE2 4.37Å; Y83-F505 AromaticContact CE1-CZ 3.7Å; Y83-F505 HydrophobicContact CE1-CZ 3.7Å
84	Y	96.4	Very high	94.9	Very high	23 Å²	23	48.4 Å²	48.4	9%	0.09	23%	0.233	C	C	.	.	H	α-helix	trans	-67.4	-44.9	173.6	-61	-44.5	0	0	0	112.1	T80 I81 L86 F88 L124 A127 L128 D131	T80-Y84 WeakPolarHBondContact O-CD2 3.32Å; T80-Y84 PolarHBondContact O-N 3.11Å; I81-Y84 PolarHBondContact O-N 2.98Å; Y84-L86 VanDerWaalsContact C-N 3.27Å; Y84-L86 PolarHBondContact O-N 3.18Å; Y84-F88 HydrophobicContact CD1-CD2 4.24Å; Y84-F88 AromaticContact CD1-CE2 3.59Å; Y84-F88 HydrophobicContact CD1-CE2 3.59Å; Y84-F88 HydrophobicContact CD1-CZ 4.37Å; Y84-F88 HydrophobicContact CE1-CE2 4.45Å; Y84-F88 HydrophobicContact CG-CE2 4.08Å; Y84-F88 WeakPolarHBondContact O-CD2 3.47Å; Y84-F88 PolarHBondContact O-N 3.45Å; Y84-L124 HydrophobicContact CD1-CD2 4.16Å; Y84-L124 HydrophobicContact CE1-CD2 4.16Å; Y84-A127 HydrophobicContact CE1-CB 4.27Å; Y84-A127 PolarHBondContact OH-O 3.43Å; Y84-L128 HydrophobicContact CD2-CD1 3.99Å; Y84-L128 HydrophobicContact CE1-CB 3.99Å; Y84-L128 HydrophobicContact CE2-CD1 3.84Å; Y84-L128 HydrophobicContact CG-CD1 4.48Å; Y84-L128 WeakPolarHBondContact OH-CA 3.44Å; Y84-L128 PolarHBondContact OH-N 3.24Å; Y84-D131 PolarHBondContact OH-OD2 3.4Å
85	I	96.4	Very high	95.3	Very high	114 Å²	114	44.3 Å²	44.3	59%	0.585	22%	0.217	S	C	*	.	H	α-helix	trans	-62.7	-34.1	179.2	-69.1	171.9	0	0	0	111.7	I81 I82 P89	I81-I85 HydrophobicContact CG2-CD1 3.76Å; I81-I85 HydrophobicContact CG2-CG1 4.34Å; I81-I85 WeakPolarHBondContact O-CG1 3.25Å; I81-I85 PolarHBondContact O-N 3.04Å; I82-I85 PolarHBondContact O-N 3.39Å; I85-P89 VanDerWaalsContact O-CD 3.24Å; I85-P89 WeakPolarHBondContact O-CD 3.3Å; I85-P89 WeakPolarHBondContact O-CG 3.33Å
86	L	96.6	Very high	95.6	Very high	68 Å²	68	47.5 Å²	47.5	36%	0.356	23%	0.232	S	C	.	.	H	α-helix	trans	-90.3	-42.2	179.5	-66.5	174	0	0	0	112.7	I82 Y84 G90 F505 I508	I82-L86 HydrophobicContact CG2-CD1 3.83Å; I82-L86 WeakPolarHBondContact O-CB 3.43Å; I82-L86 WeakPolarHBondContact O-CG 3.43Å; I82-L86 PolarHBondContact O-N 3.49Å; Y84-L86 VanDerWaalsContact C-N 3.27Å; Y84-L86 PolarHBondContact O-N 3.18Å; L86-G90 WeakPolarHBondContact O-CA 3.49Å; L86-G90 PolarHBondContact O-N 3.34Å; L86-F505 HydrophobicContact CD1-CD1 4.28Å; L86-F505 HydrophobicContact CD1-CE1 3.6Å; L86-I508 HydrophobicContact CD1-CD1 4.41Å
87	G	97.9	Very high	96	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-71.9	-49.9	-171.2	0	0	0	0	0	113.5	Y83 G90 N91	Y83-G87 VanDerWaalsContact O-CA 3.26Å; Y83-G87 WeakPolarHBondContact O-CA 3.44Å; Y83-G87 PolarHBondContact O-N 3.28Å; G87-G90 PolarHBondContact O-N 3.25Å; G87-N91 VanDerWaalsContact O-CB 3.26Å; G87-N91 WeakPolarHBondContact O-CB 3.32Å; G87-N91 PolarHBondContact O-N 3.28Å; G87-N91 PolarHBondContact O-ND2 3.46Å
88	F	98.3	Very high	96.3	Very high	54 Å²	54	44.4 Å²	44.4	24%	0.237	22%	0.22	C	C	.	.	H	α-helix	trans	-58.2	-57.4	179.6	-77.3	-62.7	0	0	0	112.8	Y84 F92 I121 L124 I125 L128	Y84-F88 HydrophobicContact CD1-CD2 4.24Å; Y84-F88 AromaticContact CD1-CE2 3.59Å; Y84-F88 HydrophobicContact CD1-CE2 3.59Å; Y84-F88 HydrophobicContact CD1-CZ 4.37Å; Y84-F88 HydrophobicContact CE1-CE2 4.45Å; Y84-F88 HydrophobicContact CG-CE2 4.08Å; Y84-F88 WeakPolarHBondContact O-CD2 3.47Å; Y84-F88 PolarHBondContact O-N 3.45Å; F88-F92 VanDerWaalsContact O-CB 3.22Å; F88-F92 WeakPolarHBondContact O-CB 3.33Å; F88-F92 PolarHBondContact O-N 2.93Å; F88-I121 HydrophobicContact CD1-CG2 4.45Å; F88-I121 HydrophobicContact CE1-CG2 4.5Å; F88-L124 HydrophobicContact CD1-CB 4.3Å; F88-L124 HydrophobicContact CE1-CB 3.68Å; F88-L124 HydrophobicContact CE2-CB 4.2Å; F88-L124 HydrophobicContact CZ-CB 3.63Å; F88-I125 HydrophobicContact CE1-CG1 3.88Å; F88-I125 HydrophobicContact CZ-CG1 4.34Å; F88-L128 HydrophobicContact CE2-CD2 4.18Å; F88-L128 HydrophobicContact CZ-CD2 4.25Å
89	P	97.7	Very high	96.6	Very high	62 Å²	62	40.1 Å²	40.1	40%	0.403	21%	0.208	S	C	.	.	H	α-helix	trans	-68.1	-37.8	179.3	25.9	-32.9	0	0	0	112.1	I85 F92 I93	I85-P89 VanDerWaalsContact O-CD 3.24Å; I85-P89 WeakPolarHBondContact O-CD 3.3Å; I85-P89 WeakPolarHBondContact O-CG 3.33Å; P89-F92 PolarHBondContact O-N 3.01Å; P89-I93 WeakPolarHBondContact O-CB 3.26Å; P89-I93 VanDerWaalsContact O-CG1 3.24Å; P89-I93 WeakPolarHBondContact O-CG1 3.39Å; P89-I93 PolarHBondContact O-N 3.39Å
90	G	98	Very high	96.7	Very high	4 Å²	4	41.5 Å²	41.5	4%	0.041	21%	0.214	C	C	.	.	H	α-helix	trans	-61.3	-49.8	179.8	0	0	0	0	0	112.5	L86 G87 S94 F507	L86-G90 WeakPolarHBondContact O-CA 3.49Å; L86-G90 PolarHBondContact O-N 3.34Å; G87-G90 PolarHBondContact O-N 3.25Å; G90-S94 WeakPolarHBondContact O-CB 3.47Å; G90-S94 PolarHBondContact O-N 3.05Å; G90-S94 PolarHBondContact O-OG 3.08Å; G90-F507 VanDerWaalsContact CA-CB 3.47Å; G90-F507 WeakPolarHBondContact O-CB 3.34Å; G90-F507 WeakPolarHBondContact O-CD2 3.11Å
91	N	98.3	Very high	96.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-70.3	-34.8	178.2	-69.5	-34.3	0	0	0	112	G87 S94 L95 D120 I121 Y503	G87-N91 VanDerWaalsContact O-CB 3.26Å; G87-N91 WeakPolarHBondContact O-CB 3.32Å; G87-N91 PolarHBondContact O-N 3.28Å; G87-N91 PolarHBondContact O-ND2 3.46Å; N91-S94 WeakPolarHBondContact O-CB 3.4Å; N91-S94 PolarHBondContact O-N 3.03Å; N91-L95 WeakPolarHBondContact O-CB 3.48Å; N91-L95 PolarHBondContact O-N 3.18Å; N91-D120 WeakPolarHBondContact ND2-CB 3.49Å; N91-I121 HydrophobicContact CB-CD1 4.09Å; N91-I121 HydrophobicContact CB-CG1 3.57Å; N91-Y503 PolarHBondContact ND2-O 2.88Å
92	F	98.3	Very high	96.5	Very high	100 Å²	100	52.8 Å²	52.8	44%	0.439	26%	0.261	S	S	.	.	H	α-helix	trans	-63.2	-46.2	175.3	-174.4	-106.7	0	0	0	112.1	F88 P89 S94 L95 I96 I121	F88-F92 VanDerWaalsContact O-CB 3.22Å; F88-F92 WeakPolarHBondContact O-CB 3.33Å; F88-F92 PolarHBondContact O-N 2.93Å; P89-F92 PolarHBondContact O-N 3.01Å; F92-S94 VanDerWaalsContact C-N 3.32Å; F92-S94 PolarHBondContact O-N 3.36Å; F92-L95 WeakPolarHBondContact O-CB 3.43Å; F92-L95 PolarHBondContact O-N 2.83Å; F92-I96 HydrophobicContact CD1-CD1 3.89Å; F92-I96 HydrophobicContact CE1-CD1 3.5Å; F92-I96 VanDerWaalsContact CE1-CD1 3.5Å; F92-I96 HydrophobicContact CZ-CD1 3.94Å; F92-I96 WeakPolarHBondContact O-CG1 3.4Å; F92-I96 PolarHBondContact O-N 2.95Å; F92-I96 VanDerWaalsContact O-N 3.07Å; F92-I121 HydrophobicContact CB-CD1 4.35Å
93	I	97.5	Very high	96.4	Very high	51 Å²	51	48.8 Å²	48.8	26%	0.262	24%	0.24	S	C	.	.	H	α-helix	trans	-62.8	-42.3	174.2	-66.5	165.7	0	0	0	110.3	P89 L95 I96 I97 F507 L524	P89-I93 WeakPolarHBondContact O-CB 3.26Å; P89-I93 VanDerWaalsContact O-CG1 3.24Å; P89-I93 WeakPolarHBondContact O-CG1 3.39Å; P89-I93 PolarHBondContact O-N 3.39Å; I93-L95 VanDerWaalsContact C-N 3.34Å; I93-L95 PolarHBondContact O-N 2.96Å; I93-I96 PolarHBondContact O-N 3.39Å; I93-I97 HydrophobicContact CG2-CD1 3.74Å; I93-I97 HydrophobicContact CG2-CG1 4.42Å; I93-I97 WeakPolarHBondContact O-CG1 3.42Å; I93-I97 PolarHBondContact O-N 3.34Å; I93-F507 HydrophobicContact CB-CD2 4.38Å; I93-F507 HydrophobicContact CB-CE2 4.1Å; I93-F507 HydrophobicContact CG2-CD2 4.28Å; I93-F507 HydrophobicContact CG2-CE2 3.63Å; I93-F507 HydrophobicContact CG2-CZ 4.44Å; I93-L524 HydrophobicContact CG2-CD2 4.39Å
94	S	98.3	Very high	96.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.9	-45.7	176.7	-60.6	0	0	0	0	111.4	G90 N91 F92 I96 I97 W98 S117 F507	G90-S94 WeakPolarHBondContact O-CB 3.47Å; G90-S94 PolarHBondContact O-N 3.05Å; G90-S94 PolarHBondContact O-OG 3.08Å; N91-S94 WeakPolarHBondContact O-CB 3.4Å; N91-S94 PolarHBondContact O-N 3.03Å; F92-S94 VanDerWaalsContact C-N 3.32Å; F92-S94 PolarHBondContact O-N 3.36Å; S94-I96 PolarHBondContact O-N 3.07Å; S94-I97 PolarHBondContact O-N 3.43Å; S94-W98 WeakPolarHBondContact O-CB 3.36Å; S94-W98 PolarHBondContact O-N 2.94Å; S94-S117 VanDerWaalsContact CB-OG 3.29Å; S94-S117 WeakPolarHBondContact CB-OG 3.37Å; S94-F507 WeakPolarHBondContact OG-CD2 3.28Å
95	L	98.4	Very high	95.9	Very high	35 Å²	35	57.8 Å²	57.8	18%	0.183	28%	0.281	C	S	.	.	H	α-helix	trans	-58.8	-46.7	177	179.7	62.2	0	0	0	111.6	N91 F92 I93 I97 S99 A114 L118 I121	N91-L95 WeakPolarHBondContact O-CB 3.48Å; N91-L95 PolarHBondContact O-N 3.18Å; F92-L95 WeakPolarHBondContact O-CB 3.43Å; F92-L95 PolarHBondContact O-N 2.83Å; I93-L95 VanDerWaalsContact C-N 3.34Å; I93-L95 PolarHBondContact O-N 2.96Å; L95-I97 VanDerWaalsContact C-N 3.34Å; L95-I97 PolarHBondContact O-N 3.41Å; L95-S99 WeakPolarHBondContact O-CB 3.39Å; L95-S99 PolarHBondContact O-N 2.97Å; L95-S99 PolarHBondContact O-OG 3.02Å; L95-A114 HydrophobicContact CD1-CB 4.28Å; L95-A114 VanDerWaalsContact CD1-O 3.32Å; L95-A114 WeakPolarHBondContact CD1-O 3.33Å; L95-L118 HydrophobicContact CD1-CB 4.06Å; L95-L118 HydrophobicContact CD2-CB 4.37Å; L95-L118 HydrophobicContact CD2-CD1 4.19Å; L95-I121 HydrophobicContact CD2-CD1 4.35Å
96	I	97.1	Very high	95.3	Very high	75 Å²	75	57.3 Å²	57.3	39%	0.385	28%	0.277	S	S	.	.	H	α-helix	trans	-59.8	-45.1	177.5	-70.3	170.6	0	0	0	111.1	F92 I93 S94 L524	F92-I96 HydrophobicContact CD1-CD1 3.89Å; F92-I96 HydrophobicContact CE1-CD1 3.5Å; F92-I96 VanDerWaalsContact CE1-CD1 3.5Å; F92-I96 HydrophobicContact CZ-CD1 3.94Å; F92-I96 WeakPolarHBondContact O-CG1 3.4Å; F92-I96 PolarHBondContact O-N 2.95Å; F92-I96 VanDerWaalsContact O-N 3.07Å; I93-I96 PolarHBondContact O-N 3.39Å; S94-I96 PolarHBondContact O-N 3.07Å; I96-L524 HydrophobicContact CG2-CD2 4.5Å
97	I	96.9	Very high	94.9	Very high	7 Å²	7	55.1 Å²	55.1	4%	0.036	27%	0.266	C	S	.	.	H	α-helix	trans	-70.5	-49.5	-176.7	-68.7	173.2	0	0	0	110.8	I93 S94 L95 S99 N100 M103 F517 R520 V521	I93-I97 HydrophobicContact CG2-CD1 3.74Å; I93-I97 HydrophobicContact CG2-CG1 4.42Å; I93-I97 WeakPolarHBondContact O-CG1 3.42Å; I93-I97 PolarHBondContact O-N 3.34Å; S94-I97 PolarHBondContact O-N 3.43Å; L95-I97 VanDerWaalsContact C-N 3.34Å; L95-I97 PolarHBondContact O-N 3.41Å; I97-S99 VanDerWaalsContact C-N 3.32Å; I97-S99 PolarHBondContact O-N 3.22Å; I97-N100 WeakPolarHBondContact O-CB 3.49Å; I97-N100 PolarHBondContact O-N 2.94Å; I97-M103 HydrophobicContact CG2-CE 4.45Å; I97-M103 HydrophobicContact CG2-CG 4.46Å; I97-M103 VanDerWaalsContact O-CG 3.29Å; I97-M103 WeakPolarHBondContact O-CG 3.33Å; I97-F517 HydrophobicContact CB-CD2 4.19Å; I97-F517 HydrophobicContact CB-CE2 3.79Å; I97-F517 HydrophobicContact CD1-CD2 4.41Å; I97-F517 HydrophobicContact CD1-CE1 4.47Å; I97-F517 HydrophobicContact CD1-CE2 3.89Å; I97-F517 HydrophobicContact CD1-CZ 3.92Å; I97-F517 HydrophobicContact CG1-CE2 4.44Å; I97-F517 HydrophobicContact CG2-CD2 3.5Å; I97-F517 HydrophobicContact CG2-CE2 3.66Å; I97-F517 HydrophobicContact CG2-CG 4.44Å; I97-R520 HydrophobicContact CD1-CB 4.4Å; I97-R520 HydrophobicContact CG1-CB 4.36Å; I97-R520 HydrophobicContact CG2-CB 3.71Å; I97-R520 HydrophobicContact CG2-CG 4.22Å; I97-V521 HydrophobicContact CD1-CB 4.18Å; I97-V521 HydrophobicContact CD1-CG2 3.27Å
98	W	97.3	Very high	94.5	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.015	27%	0.268	C	S	.	.	H	α-helix	trans	-67.5	-32.8	-177.8	-67.4	128.2	0	0	0	112.5	S94 N100 M103 I104 A110 L113 A114 M439 Y510 F517	S94-W98 WeakPolarHBondContact O-CB 3.36Å; S94-W98 PolarHBondContact O-N 2.94Å; W98-N100 PolarHBondContact O-N 3.39Å; W98-M103 HydrophobicContact CE3-CE 3.67Å; W98-M103 HydrophobicContact CH2-CE 4.04Å; W98-M103 HydrophobicContact CZ3-CE 3.25Å; W98-I104 WeakPolarHBondContact O-CG1 3.5Å; W98-A110 HydrophobicContact CE3-CB 3.74Å; W98-A110 HydrophobicContact CZ3-CB 4.36Å; W98-L113 HydrophobicContact CB-CB 4.44Å; W98-L113 HydrophobicContact CD2-CB 3.85Å; W98-L113 HydrophobicContact CD2-CD1 3.95Å; W98-L113 HydrophobicContact CE3-CB 4.47Å; W98-L113 HydrophobicContact CE3-CD1 4.01Å; W98-L113 HydrophobicContact CG-CB 3.79Å; W98-L113 HydrophobicContact CH2-CD1 3.72Å; W98-L113 HydrophobicContact CZ2-CD1 3.61Å; W98-L113 HydrophobicContact CZ3-CD1 3.89Å; W98-A114 HydrophobicContact CB-CB 3.8Å; W98-M439 HydrophobicContact CH2-CE 3.55Å; W98-M439 HydrophobicContact CH2-SD 3.76Å; W98-M439 HydrophobicContact CZ2-CE 3.79Å; W98-M439 HydrophobicContact CZ2-SD 3.79Å; W98-Y510 HydrophobicContact CZ2-CD1 4.42Å; W98-Y510 HydrophobicContact CZ2-CG 4.25Å; W98-Y510 AromaticContact NE1-CD2 3.65Å; W98-Y510 AromaticContact NE1-CE2 3.76Å; W98-F517 HydrophobicContact CD2-CD2 4.13Å; W98-F517 HydrophobicContact CD2-CE2 4.38Å; W98-F517 AromaticContact CE2-CD2 3.41Å; W98-F517 VanDerWaalsContact CE2-CD2 3.41Å; W98-F517 AromaticContact CE2-CE2 3.66Å; W98-F517 HydrophobicContact CH2-CB 3.99Å; W98-F517 AromaticContact CH2-CD2 3.86Å; W98-F517 HydrophobicContact CH2-CD2 3.86Å; W98-F517 HydrophobicContact CH2-CG 4.32Å; W98-F517 HydrophobicContact CZ2-CB 4.01Å; W98-F517 AromaticContact CZ2-CD2 3.25Å; W98-F517 HydrophobicContact CZ2-CD2 3.25Å; W98-F517 AromaticContact CZ2-CE2 3.93Å; W98-F517 HydrophobicContact CZ2-CE2 3.93Å; W98-F517 AromaticContact CZ2-CG 3.87Å; W98-F517 HydrophobicContact CZ2-CG 3.87Å; W98-F517 AromaticContact NE1-CD2 3.77Å; W98-F517 AromaticContact NE1-CE2 3.49Å
99	S	96.6	Very high	94.4	Very high	33 Å²	33	53.1 Å²	53.1	23%	0.231	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-8.4	175.8	-59.6	0	0	0	0	113.9	L95 I97 K101	L95-S99 WeakPolarHBondContact O-CB 3.39Å; L95-S99 PolarHBondContact O-N 2.97Å; L95-S99 PolarHBondContact O-OG 3.02Å; I97-S99 VanDerWaalsContact C-N 3.32Å; I97-S99 PolarHBondContact O-N 3.22Å; S99-K101 PolarHBondContact O-N 3.46Å
100	N	94.1	Very high	94.3	Very high	69 Å²	69	50.1 Å²	50.1	37%	0.369	24%	0.239	S	C	.	.	S	Bend	trans	-64.2	127.6	179.5	-172.6	-64.7	0	0	0	110.8	I97 W98 K102 M103 I104 R520	I97-N100 WeakPolarHBondContact O-CB 3.49Å; I97-N100 PolarHBondContact O-N 2.94Å; W98-N100 PolarHBondContact O-N 3.39Å; N100-K102 PolarHBondContact O-N 3.35Å; N100-K102 WeakPolarHBondContact OD1-CB 3Å; N100-K102 PolarHBondContact OD1-N 3.48Å; N100-M103 HydrophobicContact CB-CB 4.32Å; N100-M103 HydrophobicContact CB-CG 4.08Å; N100-M103 WeakPolarHBondContact O-CA 3.42Å; N100-M103 WeakPolarHBondContact O-CB 3.38Å; N100-M103 PolarHBondContact O-N 2.88Å; N100-I104 PolarHBondContact O-N 3.5Å; N100-R520 PolarHBondContact OD1-NH1 2.64Å
101	K	92.2	Very high	94.3	Very high	186 Å²	186	50.6 Å²	50.6	81%	0.809	24%	0.241	S	C	*	.	H	α-helix	trans	-48.7	-38.5	179.9	-67	-177.5	-179.6	178	0	113.7	S99 K105	S99-K101 PolarHBondContact O-N 3.46Å; K101-K105 WeakPolarHBondContact O-CB 3.42Å; K101-K105 PolarHBondContact O-N 3.33Å
102	K	90.7	Very high	94.3	Very high	113 Å²	113	50.7 Å²	50.7	49%	0.491	24%	0.241	S	C	.	.	H	α-helix	trans	-69.2	-38.3	178.8	-175.2	-176.3	160.3	-175	0	111.3	N100 E106 R520	N100-K102 PolarHBondContact O-N 3.35Å; N100-K102 WeakPolarHBondContact OD1-CB 3Å; N100-K102 PolarHBondContact OD1-N 3.48Å; K102-E106 WeakPolarHBondContact CE-OE1 3.43Å; K102-E106 WeakPolarHBondContact CG-OE1 3.42Å; K102-E106 WeakPolarHBondContact O-CB 3.19Å; K102-E106 VanDerWaalsContact O-CG 3.26Å; K102-E106 WeakPolarHBondContact O-CG 3.48Å; K102-E106 PolarHBondContact O-N 3.21Å; K102-E106 VanDerWaalsContact O-N 3.12Å; K102-R520 VanDerWaalsContact CB-NH2 3.28Å
103	M	92.2	Very high	94.3	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.025	22%	0.22	C	C	.	.	H	α-helix	trans	-65.9	-46.3	175.1	-68	-62.4	-70.4	0	0	111.4	I97 W98 N100 K105 E106 N107 A110 N516 R520	I97-M103 HydrophobicContact CG2-CE 4.45Å; I97-M103 HydrophobicContact CG2-CG 4.46Å; I97-M103 VanDerWaalsContact O-CG 3.29Å; I97-M103 WeakPolarHBondContact O-CG 3.33Å; W98-M103 HydrophobicContact CE3-CE 3.67Å; W98-M103 HydrophobicContact CH2-CE 4.04Å; W98-M103 HydrophobicContact CZ3-CE 3.25Å; N100-M103 HydrophobicContact CB-CB 4.32Å; N100-M103 HydrophobicContact CB-CG 4.08Å; N100-M103 WeakPolarHBondContact O-CA 3.42Å; N100-M103 WeakPolarHBondContact O-CB 3.38Å; N100-M103 PolarHBondContact O-N 2.88Å; M103-K105 VanDerWaalsContact C-N 3.31Å; M103-K105 PolarHBondContact O-N 3.46Å; M103-E106 PolarHBondContact O-N 3.48Å; M103-N107 PolarHBondContact O-N 2.87Å; M103-A110 HydrophobicContact CB-CB 4.37Å; M103-N516 HydrophobicContact CE-CB 4.35Å; M103-R520 HydrophobicContact CG-CG 4.32Å; M103-R520 HydrophobicContact SD-CG 3.72Å; M103-R520 PolarHBondContact SD-NH2 3.43Å
104	I	92.9	Very high	94.3	Very high	43 Å²	43	44 Å²	44	22%	0.221	21%	0.212	C	C	.	.	H	α-helix	trans	-60.6	-39.9	177.9	-64.6	174.9	0	0	0	111.9	W98 N100 N107 A110 V111 S188	W98-I104 WeakPolarHBondContact O-CG1 3.5Å; N100-I104 PolarHBondContact O-N 3.5Å; I104-N107 CarbonylContact O-C 3.51Å; I104-A110 HydrophobicContact CG1-CB 4.35Å; I104-V111 HydrophobicContact CG2-CG2 3.97Å; I104-S188 VanDerWaalsContact CG2-OG 3.31Å; I104-S188 WeakPolarHBondContact CG2-OG 3.29Å; I104-S188 PolarHBondContact O-OG 2.98Å
105	K	87.7	Confident	94.3	Very high	190 Å²	190	45 Å²	45	83%	0.826	22%	0.221	S	C	*	.	H	α-helix	trans	-69	-36.1	178	-174.7	178	178.6	-179.9	0	112.6	K101 M103	K101-K105 WeakPolarHBondContact O-CB 3.42Å; K101-K105 PolarHBondContact O-N 3.33Å; M103-K105 VanDerWaalsContact C-N 3.31Å; M103-K105 PolarHBondContact O-N 3.46Å
106	E	85.1	Confident	94.3	Very high	105 Å²	105	43.5 Å²	43.5	49%	0.491	21%	0.213	S	C	.	.	H	α-helix	trans	-78.8	-31.9	-178.9	-74	169.1	179.1	0	0	112.3	K102 M103 R520	K102-E106 WeakPolarHBondContact CE-OE1 3.43Å; K102-E106 WeakPolarHBondContact CG-OE1 3.42Å; K102-E106 WeakPolarHBondContact O-CB 3.19Å; K102-E106 VanDerWaalsContact O-CG 3.26Å; K102-E106 WeakPolarHBondContact O-CG 3.48Å; K102-E106 PolarHBondContact O-N 3.21Å; K102-E106 VanDerWaalsContact O-N 3.12Å; M103-E106 PolarHBondContact O-N 3.48Å; E106-R520 IonicContact OE2-NH2 3.85Å
107	N	88	Confident	94.4	Very high	22 Å²	22	39.9 Å²	39.9	12%	0.118	19%	0.194	C	C	.	.			trans	-145.6	114	-176.3	-178.8	23.4	0	0	0	111.1	M103 I104 A109 A110 T436	M103-N107 PolarHBondContact O-N 2.87Å; I104-N107 CarbonylContact O-C 3.51Å; N107-A109 PolarHBondContact O-N 3.49Å; N107-A109 WeakPolarHBondContact OD1-CB 3.44Å; N107-A109 PolarHBondContact OD1-N 3.43Å; N107-A109 VanDerWaalsContact OD1-N 3.12Å; N107-A110 WeakPolarHBondContact O-CB 3.44Å; N107-A110 PolarHBondContact O-N 3.37Å; N107-T436 WeakPolarHBondContact ND2-CG2 3.43Å
108	S	89.7	Confident	94.5	Very high	8 Å²	8	41.6 Å²	41.6	6%	0.056	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-30.1	174.1	48.3	0	0	0	0	112.9	A110 V111 E171 C186	S108-A110 PolarHBondContact O-N 3.17Å; S108-A110 VanDerWaalsContact O-N 3.13Å; S108-V111 WeakPolarHBondContact O-CB 3.47Å; S108-V111 PolarHBondContact O-N 3.42Å; S108-E171 VanDerWaalsContact CB-OE1 3.25Å; S108-E171 WeakPolarHBondContact CB-OE1 3.28Å; S108-E171 PolarHBondContact OG-OE1 3.46Å; S108-C186 WeakPolarHBondContact OG-CA 3.35Å; S108-C186 WeakPolarHBondContact OG-CB 3.34Å
109	A	94.7	Very high	94.5	Very high	3 Å²	3	41.8 Å²	41.8	3%	0.025	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-16.7	176.6	0	0	0	0	0	113.5	N107 V111 Y112 L113 F168 L440	N107-A109 PolarHBondContact O-N 3.49Å; N107-A109 WeakPolarHBondContact OD1-CB 3.44Å; N107-A109 PolarHBondContact OD1-N 3.43Å; N107-A109 VanDerWaalsContact OD1-N 3.12Å; A109-V111 PolarHBondContact O-N 3.24Å; A109-Y112 PolarHBondContact O-N 3.24Å; A109-L113 WeakPolarHBondContact O-CG 3.23Å; A109-L113 PolarHBondContact O-N 2.84Å; A109-F168 HydrophobicContact CB-CB 4.23Å; A109-L440 HydrophobicContact CB-CD1 4.04Å; A109-L440 HydrophobicContact CB-CD2 4.46Å
110	A	96.1	Very high	94.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.8	-27.7	171.5	0	0	0	0	0	112.5	W98 M103 I104 N107 S108 A114	W98-A110 HydrophobicContact CE3-CB 3.74Å; W98-A110 HydrophobicContact CZ3-CB 4.36Å; M103-A110 HydrophobicContact CB-CB 4.37Å; I104-A110 HydrophobicContact CG1-CB 4.35Å; N107-A110 WeakPolarHBondContact O-CB 3.44Å; N107-A110 PolarHBondContact O-N 3.37Å; S108-A110 PolarHBondContact O-N 3.17Å; S108-A110 VanDerWaalsContact O-N 3.13Å; A110-A114 VanDerWaalsContact O-CB 3.29Å; A110-A114 WeakPolarHBondContact O-CB 3.48Å; A110-A114 PolarHBondContact O-N 3.08Å
111	V	97.9	Very high	94.8	Very high	14 Å²	14	37.9 Å²	37.9	9%	0.085	18%	0.181	C	C	.	.	H	α-helix	trans	-66.5	-49.3	175.3	177.9	0	0	0	0	110.7	I104 S108 A109 L113 A114 A115 A191 I192	I104-V111 HydrophobicContact CG2-CG2 3.97Å; S108-V111 WeakPolarHBondContact O-CB 3.47Å; S108-V111 PolarHBondContact O-N 3.42Å; A109-V111 PolarHBondContact O-N 3.24Å; V111-L113 VanDerWaalsContact C-N 3.32Å; V111-L113 PolarHBondContact O-N 3.43Å; V111-A114 PolarHBondContact O-N 3.19Å; V111-A115 PolarHBondContact O-N 2.96Å; V111-A191 HydrophobicContact CB-CB 3.73Å; V111-A191 HydrophobicContact CG1-CB 3.77Å; V111-A191 HydrophobicContact CG2-CB 4.19Å; V111-I192 HydrophobicContact CG1-CG1 3.73Å
112	Y	98.2	Very high	95.1	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-62	-41.2	176.6	-60.2	-64.1	0	0	0	111.6	A109 A115 L116 F168 E171 A191 I194 C195	A109-Y112 PolarHBondContact O-N 3.24Å; Y112-A115 PolarHBondContact O-N 2.93Å; Y112-L116 WeakPolarHBondContact O-CB 3.41Å; Y112-L116 PolarHBondContact O-N 3.18Å; Y112-F168 HydrophobicContact CD2-CB 3.71Å; Y112-F168 HydrophobicContact CG-CB 4.09Å; Y112-E171 HydrophobicContact CE2-CB 4.35Å; Y112-A191 HydrophobicContact CD2-CB 4.45Å; Y112-A191 HydrophobicContact CE1-CB 4.09Å; Y112-A191 HydrophobicContact CE2-CB 3.83Å; Y112-I194 HydrophobicContact CE1-CB 4.04Å; Y112-I194 HydrophobicContact CE1-CG2 3.77Å; Y112-I194 WeakPolarHBondContact OH-CD1 3.48Å; Y112-C195 VanDerWaalsContact CD1-SG 3.55Å
113	L	98.1	Very high	95.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-68.5	-33.9	178.8	-66.1	169.3	0	0	0	112.7	W98 A109 V111 L116 S117 F168 M439 L440 Y510	W98-L113 HydrophobicContact CB-CB 4.44Å; W98-L113 HydrophobicContact CD2-CB 3.85Å; W98-L113 HydrophobicContact CD2-CD1 3.95Å; W98-L113 HydrophobicContact CE3-CB 4.47Å; W98-L113 HydrophobicContact CE3-CD1 4.01Å; W98-L113 HydrophobicContact CG-CB 3.79Å; W98-L113 HydrophobicContact CH2-CD1 3.72Å; W98-L113 HydrophobicContact CZ2-CD1 3.61Å; W98-L113 HydrophobicContact CZ3-CD1 3.89Å; A109-L113 WeakPolarHBondContact O-CG 3.23Å; A109-L113 PolarHBondContact O-N 2.84Å; V111-L113 VanDerWaalsContact C-N 3.32Å; V111-L113 PolarHBondContact O-N 3.43Å; L113-L116 HydrophobicContact CD2-CD2 4.48Å; L113-S117 WeakPolarHBondContact O-CB 3.36Å; L113-S117 PolarHBondContact O-N 2.96Å; L113-S117 PolarHBondContact O-OG 3.29Å; L113-F168 HydrophobicContact CD2-CD1 4.3Å; L113-F168 HydrophobicContact CD2-CE1 4.03Å; L113-M439 HydrophobicContact CD1-CE 3.58Å; L113-L440 HydrophobicContact CD1-CD2 3.94Å; L113-L440 HydrophobicContact CD2-CD2 4.13Å; L113-L440 HydrophobicContact CG-CD2 4.32Å; L113-Y510 HydrophobicContact CD2-CE1 3.8Å
114	A	98.3	Very high	95.7	Very high	11 Å²	11	26.1 Å²	26.1	9%	0.091	13%	0.132	C	C	.	.	H	α-helix	trans	-67.3	-45.7	171.8	0	0	0	0	0	111.2	L95 W98 A110 V111 L116 S117 L118	L95-A114 HydrophobicContact CD1-CB 4.28Å; L95-A114 VanDerWaalsContact CD1-O 3.32Å; L95-A114 WeakPolarHBondContact CD1-O 3.33Å; W98-A114 HydrophobicContact CB-CB 3.8Å; A110-A114 VanDerWaalsContact O-CB 3.29Å; A110-A114 WeakPolarHBondContact O-CB 3.48Å; A110-A114 PolarHBondContact O-N 3.08Å; V111-A114 PolarHBondContact O-N 3.19Å; A114-L116 VanDerWaalsContact C-N 3.35Å; A114-S117 PolarHBondContact O-N 3.25Å; A114-L118 PolarHBondContact O-N 3.11Å
115	A	98.5	Very high	95.9	Very high	22 Å²	22	25.5 Å²	25.5	18%	0.182	13%	0.129	C	C	.	.	H	α-helix	trans	-60.9	-44	175.7	0	0	0	0	0	111.6	V111 Y112 L118 N119 F164 C195	V111-A115 PolarHBondContact O-N 2.96Å; Y112-A115 PolarHBondContact O-N 2.93Å; A115-L118 PolarHBondContact O-N 3.31Å; A115-N119 VanDerWaalsContact O-CB 3.24Å; A115-N119 WeakPolarHBondContact O-CB 3.44Å; A115-N119 PolarHBondContact O-N 2.98Å; A115-F164 HydrophobicContact CB-CD1 4.15Å; A115-F164 HydrophobicContact CB-CE1 3.73Å; A115-F164 HydrophobicContact CB-CZ 3.96Å; A115-C195 HydrophobicContact CB-CB 4.18Å
116	L	98.5	Very high	96.3	Very high	2 Å²	2	18 Å²	18	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-59.5	-46.9	174.1	-179.6	61.2	0	0	0	111.4	Y112 L113 A114 L118 N119 D120 S161 F164 V165 F168	Y112-L116 WeakPolarHBondContact O-CB 3.41Å; Y112-L116 PolarHBondContact O-N 3.18Å; L113-L116 HydrophobicContact CD2-CD2 4.48Å; A114-L116 VanDerWaalsContact C-N 3.35Å; L116-L118 VanDerWaalsContact C-N 3.33Å; L116-L118 PolarHBondContact O-N 3.45Å; L116-N119 WeakPolarHBondContact O-CB 3.44Å; L116-N119 PolarHBondContact O-N 2.88Å; L116-D120 WeakPolarHBondContact CD1-OD1 3.42Å; L116-D120 WeakPolarHBondContact O-CB 2.92Å; L116-D120 PolarHBondContact O-N 3.02Å; L116-S161 WeakPolarHBondContact CD1-OG 3.41Å; L116-F164 HydrophobicContact CB-CB 4.22Å; L116-F164 HydrophobicContact CB-CD2 4.38Å; L116-F164 HydrophobicContact CB-CG 4.49Å; L116-F164 HydrophobicContact CD1-CB 4.27Å; L116-F164 HydrophobicContact CD1-CD2 4.23Å; L116-V165 HydrophobicContact CD2-CG2 4.15Å; L116-F168 HydrophobicContact CD2-CE1 4.32Å
117	S	98.7	Very high	96.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.7	-40.1	178.3	-55.3	0	0	0	0	112.3	S94 L113 A114 I121	S94-S117 VanDerWaalsContact CB-OG 3.29Å; S94-S117 WeakPolarHBondContact CB-OG 3.37Å; L113-S117 WeakPolarHBondContact O-CB 3.36Å; L113-S117 PolarHBondContact O-N 2.96Å; L113-S117 PolarHBondContact O-OG 3.29Å; A114-S117 PolarHBondContact O-N 3.25Å; S117-I121 WeakPolarHBondContact O-CD1 3.26Å; S117-I121 VanDerWaalsContact O-CG1 3.3Å; S117-I121 WeakPolarHBondContact O-CG1 3.38Å; S117-I121 PolarHBondContact O-N 3.47Å
118	L	98.6	Very high	97.1	Very high	43 Å²	43	14.5 Å²	14.5	23%	0.225	8%	0.082	C	C	.	.	H	α-helix	trans	-67.2	-44.5	174.8	177.2	62.8	0	0	0	111.3	I12 L95 A114 A115 L116 I121 I122	I12-L118 HydrophobicContact CG2-CD1 4.18Å; I12-L118 HydrophobicContact CG2-CD2 4Å; L95-L118 HydrophobicContact CD1-CB 4.06Å; L95-L118 HydrophobicContact CD2-CB 4.37Å; L95-L118 HydrophobicContact CD2-CD1 4.19Å; A114-L118 PolarHBondContact O-N 3.11Å; A115-L118 PolarHBondContact O-N 3.31Å; L116-L118 VanDerWaalsContact C-N 3.33Å; L116-L118 PolarHBondContact O-N 3.45Å; L118-I121 WeakPolarHBondContact O-CB 3.38Å; L118-I121 PolarHBondContact O-N 3.44Å; L118-I122 HydrophobicContact CD1-CD1 4.48Å; L118-I122 HydrophobicContact CG-CD1 4.24Å; L118-I122 WeakPolarHBondContact O-CG1 3.26Å; L118-I122 PolarHBondContact O-N 3.24Å; L118-I122 VanDerWaalsContact O-N 3.15Å
119	N	98.7	Very high	97.2	Very high	8 Å²	8	15.4 Å²	15.4	4%	0.043	9%	0.086	C	C	.	.	H	α-helix	trans	-59.6	-46.5	178	-177.4	86.9	0	0	0	111.6	A115 L116 I121 I122 V123 V157 F164	A115-N119 VanDerWaalsContact O-CB 3.24Å; A115-N119 WeakPolarHBondContact O-CB 3.44Å; A115-N119 PolarHBondContact O-N 2.98Å; L116-N119 WeakPolarHBondContact O-CB 3.44Å; L116-N119 PolarHBondContact O-N 2.88Å; N119-I121 VanDerWaalsContact C-N 3.31Å; N119-I121 PolarHBondContact O-N 3.23Å; N119-I122 CarbonylContact O-C 3.59Å; N119-I122 WeakPolarHBondContact O-CA 3.48Å; N119-I122 WeakPolarHBondContact O-CB 3.39Å; N119-I122 PolarHBondContact O-N 2.92Å; N119-V123 WeakPolarHBondContact O-CG2 3.45Å; N119-V123 PolarHBondContact O-N 3.05Å; N119-V157 PolarHBondContact ND2-O 3.38Å; N119-V157 PolarHBondContact OD1-O 3.4Å; N119-F164 HydrophobicContact CB-CD2 4.35Å; N119-F164 HydrophobicContact CB-CE2 3.78Å
120	D	98.4	Very high	97	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-66.9	-31.6	-179.4	-64	-10.2	0	0	0	111.6	N91 L116 I122 V123 L124 S161 Y503	N91-D120 WeakPolarHBondContact ND2-CB 3.49Å; L116-D120 WeakPolarHBondContact CD1-OD1 3.42Å; L116-D120 WeakPolarHBondContact O-CB 2.92Å; L116-D120 PolarHBondContact O-N 3.02Å; D120-I122 VanDerWaalsContact C-N 3.34Å; D120-V123 PolarHBondContact O-N 3.42Å; D120-L124 VanDerWaalsContact O-CG 3.25Å; D120-L124 WeakPolarHBondContact O-CG 3.39Å; D120-L124 PolarHBondContact O-N 2.86Å; D120-S161 PolarHBondContact OD1-OG 3.05Å; D120-S161 VanDerWaalsContact OD1-OG 3.11Å; D120-Y503 HydrophobicContact CB-CD1 4.39Å; D120-Y503 WeakPolarHBondContact OD1-CD1 3.4Å
121	I	98.6	Very high	96.8	Very high	18 Å²	18	20.7 Å²	20.7	9%	0.092	11%	0.106	C	C	.	.	H	α-helix	trans	-60.9	-45.5	168.1	-68.9	164.3	0	0	0	110.4	F88 N91 F92 L95 S117 L118 N119 L124 I125	F88-I121 HydrophobicContact CD1-CG2 4.45Å; F88-I121 HydrophobicContact CE1-CG2 4.5Å; N91-I121 HydrophobicContact CB-CD1 4.09Å; N91-I121 HydrophobicContact CB-CG1 3.57Å; F92-I121 HydrophobicContact CB-CD1 4.35Å; L95-I121 HydrophobicContact CD2-CD1 4.35Å; S117-I121 WeakPolarHBondContact O-CD1 3.26Å; S117-I121 VanDerWaalsContact O-CG1 3.3Å; S117-I121 WeakPolarHBondContact O-CG1 3.38Å; S117-I121 PolarHBondContact O-N 3.47Å; L118-I121 WeakPolarHBondContact O-CB 3.38Å; L118-I121 PolarHBondContact O-N 3.44Å; N119-I121 VanDerWaalsContact C-N 3.31Å; N119-I121 PolarHBondContact O-N 3.23Å; I121-L124 PolarHBondContact O-N 3.45Å; I121-I125 HydrophobicContact CG2-CD1 4.07Å; I121-I125 HydrophobicContact CG2-CG1 4.49Å; I121-I125 WeakPolarHBondContact O-CG1 3.35Å; I121-I125 PolarHBondContact O-N 3.25Å
122	I	98.2	Very high	96.5	Very high	52 Å²	52	21.4 Å²	21.4	27%	0.267	11%	0.109	S	C	.	.	H	α-helix	trans	-65.8	-40.8	-179.6	-61.5	164	0	0	0	110.8	L118 N119 D120 L124 I125 F126 V157	L118-I122 HydrophobicContact CD1-CD1 4.48Å; L118-I122 HydrophobicContact CG-CD1 4.24Å; L118-I122 WeakPolarHBondContact O-CG1 3.26Å; L118-I122 PolarHBondContact O-N 3.24Å; L118-I122 VanDerWaalsContact O-N 3.15Å; N119-I122 CarbonylContact O-C 3.59Å; N119-I122 WeakPolarHBondContact O-CA 3.48Å; N119-I122 WeakPolarHBondContact O-CB 3.39Å; N119-I122 PolarHBondContact O-N 2.92Å; D120-I122 VanDerWaalsContact C-N 3.34Å; I122-L124 VanDerWaalsContact C-N 3.31Å; I122-L124 PolarHBondContact O-N 3.09Å; I122-I125 PolarHBondContact O-N 2.9Å; I122-F126 HydrophobicContact CG2-CD2 3.82Å; I122-F126 HydrophobicContact CG2-CE2 3.59Å; I122-F126 WeakPolarHBondContact O-CD2 3.3Å; I122-F126 PolarHBondContact O-N 3.36Å; I122-V157 HydrophobicContact CB-CG1 4.43Å; I122-V157 HydrophobicContact CG2-CG1 3.86Å; I122-V157 HydrophobicContact CG2-CG2 4.31Å
123	V	97.9	Very high	95.9	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.03	12%	0.123	C	C	.	.	H	α-helix	trans	-55.5	-47.9	172.2	174.8	0	0	0	0	110.2	N119 D120 I125 F126 A127 V157 Q158 Y503	N119-V123 WeakPolarHBondContact O-CG2 3.45Å; N119-V123 PolarHBondContact O-N 3.05Å; D120-V123 PolarHBondContact O-N 3.42Å; V123-I125 VanDerWaalsContact C-N 3.33Å; V123-I125 PolarHBondContact O-N 2.92Å; V123-F126 PolarHBondContact O-N 3.41Å; V123-A127 WeakPolarHBondContact O-CB 3.49Å; V123-A127 PolarHBondContact O-N 2.94Å; V123-V157 HydrophobicContact CB-CG2 4.35Å; V123-V157 HydrophobicContact CG2-CB 3.85Å; V123-V157 HydrophobicContact CG2-CG2 3.54Å; V123-Q158 HydrophobicContact CG1-CG 4.02Å; V123-Q158 HydrophobicContact CG2-CG 4.31Å; V123-Y503 HydrophobicContact CB-CD1 4.25Å; V123-Y503 HydrophobicContact CB-CE1 4.5Å; V123-Y503 HydrophobicContact CB-CG 4.4Å; V123-Y503 HydrophobicContact CG1-CD1 3.97Å; V123-Y503 HydrophobicContact CG1-CD2 3.77Å; V123-Y503 HydrophobicContact CG1-CE1 4.08Å; V123-Y503 HydrophobicContact CG1-CE2 3.89Å; V123-Y503 HydrophobicContact CG1-CG 3.8Å; V123-Y503 HydrophobicContact CG2-CD1 4.18Å; V123-Y503 HydrophobicContact CG2-CE1 4.07Å
124	L	97.7	Very high	95.3	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.9	-32.4	179	-68.3	171.9	0	0	0	112.9	Y84 F88 D120 I121 I122 L128	Y84-L124 HydrophobicContact CD1-CD2 4.16Å; Y84-L124 HydrophobicContact CE1-CD2 4.16Å; F88-L124 HydrophobicContact CD1-CB 4.3Å; F88-L124 HydrophobicContact CE1-CB 3.68Å; F88-L124 HydrophobicContact CE2-CB 4.2Å; F88-L124 HydrophobicContact CZ-CB 3.63Å; D120-L124 VanDerWaalsContact O-CG 3.25Å; D120-L124 WeakPolarHBondContact O-CG 3.39Å; D120-L124 PolarHBondContact O-N 2.86Å; I121-L124 PolarHBondContact O-N 3.45Å; I122-L124 VanDerWaalsContact C-N 3.31Å; I122-L124 PolarHBondContact O-N 3.09Å; L124-L128 VanDerWaalsContact O-CB 3.23Å; L124-L128 WeakPolarHBondContact O-CB 3.16Å; L124-L128 PolarHBondContact O-N 3.42Å
125	I	97	Very high	94.8	Very high	31 Å²	31	28.6 Å²	28.6	16%	0.159	14%	0.14	C	C	.	.	H	α-helix	trans	-63.6	-47.8	172.9	-68.5	170	0	0	0	110.4	T16 I19 F88 I121 I122 V123 L128 N129	T16-I125 HydrophobicContact CG2-CD1 3.96Å; I19-I125 HydrophobicContact CG2-CG2 4.45Å; F88-I125 HydrophobicContact CE1-CG1 3.88Å; F88-I125 HydrophobicContact CZ-CG1 4.34Å; I121-I125 HydrophobicContact CG2-CD1 4.07Å; I121-I125 HydrophobicContact CG2-CG1 4.49Å; I121-I125 WeakPolarHBondContact O-CG1 3.35Å; I121-I125 PolarHBondContact O-N 3.25Å; I122-I125 PolarHBondContact O-N 2.9Å; V123-I125 VanDerWaalsContact C-N 3.33Å; V123-I125 PolarHBondContact O-N 2.92Å; I125-L128 PolarHBondContact O-N 2.93Å; I125-N129 PolarHBondContact O-N 3.12Å
126	F	95.6	Very high	94.3	Very high	33 Å²	33	32.6 Å²	32.6	15%	0.145	15%	0.151	C	C	.	.	H	α-helix	trans	-65.6	-40.5	177.6	-77.5	-62.3	0	0	0	112.3	I122 V123 N129 R130 Q150 L153 V157	I122-F126 HydrophobicContact CG2-CD2 3.82Å; I122-F126 HydrophobicContact CG2-CE2 3.59Å; I122-F126 WeakPolarHBondContact O-CD2 3.3Å; I122-F126 PolarHBondContact O-N 3.36Å; V123-F126 PolarHBondContact O-N 3.41Å; F126-N129 PolarHBondContact O-N 3.01Å; F126-R130 WeakPolarHBondContact O-CB 3.33Å; F126-R130 PolarHBondContact O-N 3.08Å; F126-Q150 HydrophobicContact CD1-CG 4.13Å; F126-Q150 HydrophobicContact CE1-CG 4.18Å; F126-L153 HydrophobicContact CE2-CB 3.88Å; F126-L153 HydrophobicContact CZ-CB 3.58Å; F126-L153 HydrophobicContact CZ-CD1 4.22Å; F126-V157 HydrophobicContact CD2-CG2 4.02Å; F126-V157 HydrophobicContact CE2-CG2 4.39Å
127	A	94.3	Very high	93.8	Very high	8 Å²	8	37.4 Å²	37.4	7%	0.066	17%	0.173	C	C	.	.	H	α-helix	trans	-61.5	-45.6	175	0	0	0	0	0	111.2	Y84 V123 N129 R130 D131 L500	Y84-A127 HydrophobicContact CE1-CB 4.27Å; Y84-A127 PolarHBondContact OH-O 3.43Å; V123-A127 WeakPolarHBondContact O-CB 3.49Å; V123-A127 PolarHBondContact O-N 2.94Å; A127-N129 PolarHBondContact O-N 3.38Å; A127-R130 WeakPolarHBondContact O-CB 3.43Å; A127-R130 PolarHBondContact O-N 2.99Å; A127-D131 WeakPolarHBondContact O-CB 3.39Å; A127-D131 PolarHBondContact O-N 3.42Å; A127-L500 HydrophobicContact CB-CD1 4.3Å
128	L	95.1	Very high	93.3	Very high	45 Å²	45	40 Å²	40	24%	0.236	19%	0.187	C	C	.	.	H	α-helix	trans	-61	-46.9	177	179.9	64	0	0	0	111.3	F23 Y84 F88 L124 I125 R130 D131 L132	F23-L128 HydrophobicContact CE1-CD2 4.17Å; F23-L128 HydrophobicContact CE1-CG 4.47Å; F23-L128 HydrophobicContact CZ-CD2 4.42Å; F23-L128 HydrophobicContact CZ-CG 4.29Å; Y84-L128 HydrophobicContact CD2-CD1 3.99Å; Y84-L128 HydrophobicContact CE1-CB 3.99Å; Y84-L128 HydrophobicContact CE2-CD1 3.84Å; Y84-L128 HydrophobicContact CG-CD1 4.48Å; Y84-L128 WeakPolarHBondContact OH-CA 3.44Å; Y84-L128 PolarHBondContact OH-N 3.24Å; F88-L128 HydrophobicContact CE2-CD2 4.18Å; F88-L128 HydrophobicContact CZ-CD2 4.25Å; L124-L128 VanDerWaalsContact O-CB 3.23Å; L124-L128 WeakPolarHBondContact O-CB 3.16Å; L124-L128 PolarHBondContact O-N 3.42Å; I125-L128 PolarHBondContact O-N 2.93Å; L128-R130 VanDerWaalsContact C-N 3.35Å; L128-R130 PolarHBondContact O-N 3.22Å; L128-D131 PolarHBondContact O-N 3.16Å; L128-L132 HydrophobicContact CD1-CD2 4.25Å; L128-L132 HydrophobicContact CD1-CG 4.1Å; L128-L132 HydrophobicContact CG-CD1 4.39Å; L128-L132 HydrophobicContact CG-CG 4.32Å; L128-L132 WeakPolarHBondContact O-CB 3.33Å; L128-L132 WeakPolarHBondContact O-CG 3.31Å; L128-L132 PolarHBondContact O-N 3.03Å
129	N	92.2	Very high	92.6	Very high	27 Å²	27	48.3 Å²	48.3	14%	0.144	22%	0.215	C	C	.	.	H	α-helix	trans	-57.5	-49	177	-173.6	36.7	0	0	0	111.4	F23 I125 F126 A127 D131 L132 S133 E140 Q150	F23-N129 HydrophobicContact CE2-CB 3.8Å; F23-N129 WeakPolarHBondContact CE2-OD1 3.37Å; F23-N129 HydrophobicContact CZ-CB 4.31Å; I125-N129 PolarHBondContact O-N 3.12Å; F126-N129 PolarHBondContact O-N 3.01Å; A127-N129 PolarHBondContact O-N 3.38Å; N129-D131 VanDerWaalsContact C-N 3.31Å; N129-D131 PolarHBondContact O-N 2.91Å; N129-L132 PolarHBondContact O-N 3.41Å; N129-S133 PolarHBondContact O-N 2.91Å; N129-S133 VanDerWaalsContact O-N 3.13Å; N129-E140 PolarHBondContact ND2-OE1 3.49Å; N129-Q150 PolarHBondContact ND2-OE1 3.31Å
130	R	90.6	Very high	91.7	Very high	107 Å²	107	50.5 Å²	50.5	40%	0.404	23%	0.225	S	C	.	.	H	α-helix	trans	-56.5	-45.4	176.8	-179.3	-161.7	68.1	-179.5	0.9	111.4	F126 A127 L128 S133 R134	F126-R130 WeakPolarHBondContact O-CB 3.33Å; F126-R130 PolarHBondContact O-N 3.08Å; A127-R130 WeakPolarHBondContact O-CB 3.43Å; A127-R130 PolarHBondContact O-N 2.99Å; L128-R130 VanDerWaalsContact C-N 3.35Å; L128-R130 PolarHBondContact O-N 3.22Å; R130-S133 PolarHBondContact O-N 3.4Å; R130-R134 WeakPolarHBondContact O-CB 3.3Å; R130-R134 PolarHBondContact O-N 2.96Å
131	D	91.2	Very high	91	Very high	6 Å²	6	57.6 Å²	57.6	3%	0.032	25%	0.253	C	S	.	.	H	α-helix	trans	-73.3	-39.5	-175.9	-65.7	-4.3	0	0	0	111.6	Y84 A127 L128 N129 S133 V135 W136	Y84-D131 PolarHBondContact OH-OD2 3.4Å; A127-D131 WeakPolarHBondContact O-CB 3.39Å; A127-D131 PolarHBondContact O-N 3.42Å; L128-D131 PolarHBondContact O-N 3.16Å; N129-D131 VanDerWaalsContact C-N 3.31Å; N129-D131 PolarHBondContact O-N 2.91Å; D131-S133 VanDerWaalsContact C-N 3.26Å; D131-S133 PolarHBondContact O-N 3.33Å; D131-V135 HydrophobicContact CB-CG2 4.35Å; D131-V135 WeakPolarHBondContact O-CA 3.47Å; D131-V135 VanDerWaalsContact O-CB 3.22Å; D131-V135 WeakPolarHBondContact O-CB 3.26Å; D131-V135 PolarHBondContact O-N 3.06Å; D131-W136 PolarHBondContact O-N 3.14Å; D131-W136 VanDerWaalsContact O-N 3.13Å
132	L	91.8	Very high	90.4	Very high	29 Å²	29	57.3 Å²	57.3	15%	0.152	25%	0.251	C	S	.	.	H	α-helix	trans	-56.4	-43.9	173.5	-71.5	-171.4	0	0	0	111.2	F23 I27 L128 N129 W136 Q137 I138	F23-L132 HydrophobicContact CE1-CD1 3.5Å; F23-L132 VanDerWaalsContact CE1-CD1 3.5Å; F23-L132 HydrophobicContact CE2-CD1 4.43Å; F23-L132 HydrophobicContact CZ-CD1 3.34Å; F23-L132 HydrophobicContact CZ-CG 4.39Å; I27-L132 HydrophobicContact CD1-CD1 3.96Å; L128-L132 HydrophobicContact CD1-CD2 4.25Å; L128-L132 HydrophobicContact CD1-CG 4.1Å; L128-L132 HydrophobicContact CG-CD1 4.39Å; L128-L132 HydrophobicContact CG-CG 4.32Å; L128-L132 WeakPolarHBondContact O-CB 3.33Å; L128-L132 WeakPolarHBondContact O-CG 3.31Å; L128-L132 PolarHBondContact O-N 3.03Å; N129-L132 PolarHBondContact O-N 3.41Å; L132-W136 HydrophobicContact CD2-CG 4.48Å; L132-W136 CarbonylContact O-C 3.37Å; L132-W136 WeakPolarHBondContact O-CB 3.45Å; L132-W136 PolarHBondContact O-N 3.39Å; L132-Q137 PolarHBondContact O-N 3.46Å; L132-I138 HydrophobicContact CB-CB 4.33Å; L132-I138 HydrophobicContact CB-CD1 4.07Å; L132-I138 HydrophobicContact CB-CG1 4.41Å; L132-I138 HydrophobicContact CD1-CD1 4.25Å; L132-I138 HydrophobicContact CD2-CD1 3.79Å; L132-I138 HydrophobicContact CG-CD1 4.24Å; L132-I138 WeakPolarHBondContact O-CB 3.34Å; L132-I138 PolarHBondContact O-N 2.96Å
133	S	87	Confident	90	Very high	43 Å²	43	58.9 Å²	58.9	30%	0.301	26%	0.26	S	S	.	.	H	α-helix	trans	-70.5	-57	176.8	179.1	0	0	0	0	112.3	N129 R130 D131 Q137 I138	N129-S133 PolarHBondContact O-N 2.91Å; N129-S133 VanDerWaalsContact O-N 3.13Å; R130-S133 PolarHBondContact O-N 3.4Å; D131-S133 VanDerWaalsContact C-N 3.26Å; D131-S133 PolarHBondContact O-N 3.33Å; S133-Q137 WeakPolarHBondContact O-CA 3.3Å; S133-Q137 PolarHBondContact O-N 3.08Å; S133-I138 WeakPolarHBondContact CA-O 3.28Å
134	R	85.1	Confident	89.6	Confident	118 Å²	118	64.8 Å²	64.8	45%	0.445	30%	0.298	S	S	.	.	H	α-helix	trans	-78.3	-32.7	-170.3	-179.8	179.8	163.3	90	-1.5	114.8	I62 R130	I62-R134 WeakPolarHBondContact CD1-O 3.37Å; I62-R134 WeakPolarHBondContact CG1-O 3.39Å; R130-R134 WeakPolarHBondContact O-CB 3.3Å; R130-R134 PolarHBondContact O-N 2.96Å
135	V	86.9	Confident	89.2	Confident	2 Å²	2	66 Å²	66	1%	0.012	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-34.1	-170.3	-178.7	0	0	0	0	111.5	I62 L73 D76 R77 D131	I62-V135 WeakPolarHBondContact CD1-O 3.19Å; L73-V135 HydrophobicContact CD1-CG1 4.29Å; D76-V135 HydrophobicContact CB-CG2 4.5Å; R77-V135 HydrophobicContact CB-CG1 4.38Å; R77-V135 HydrophobicContact CG-CG1 3.2Å; R77-V135 PolarHBondContact NE-O 3.28Å; R77-V135 PolarHBondContact NH2-O 2.99Å; D131-V135 HydrophobicContact CB-CG2 4.35Å; D131-V135 WeakPolarHBondContact O-CA 3.47Å; D131-V135 VanDerWaalsContact O-CB 3.22Å; D131-V135 WeakPolarHBondContact O-CB 3.26Å; D131-V135 PolarHBondContact O-N 3.06Å
136	W	89.3	Confident	89	Confident	107 Å²	107	66 Å²	66	41%	0.405	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	0.5	-178.4	-59	92.2	0	0	0	114.3	R77 I81 D131 L132 I138	R77-W136 HydrophobicContact CB-CZ2 4.35Å; R77-W136 HydrophobicContact CG-CZ2 4.28Å; I81-W136 HydrophobicContact CD1-CH2 4.23Å; I81-W136 HydrophobicContact CD1-CZ2 3.81Å; D131-W136 PolarHBondContact O-N 3.14Å; D131-W136 VanDerWaalsContact O-N 3.13Å; L132-W136 HydrophobicContact CD2-CG 4.48Å; L132-W136 CarbonylContact O-C 3.37Å; L132-W136 WeakPolarHBondContact O-CB 3.45Å; L132-W136 PolarHBondContact O-N 3.39Å; W136-I138 HydrophobicContact CB-CG1 4.15Å; W136-I138 PolarHBondContact O-N 2.96Å; W136-I138 VanDerWaalsContact O-N 3.17Å
137	Q	86.7	Confident	88.8	Confident	102 Å²	102	64.4 Å²	64.4	48%	0.477	31%	0.307	S	S	.	.			trans	54.2	27.9	179.7	-57.9	-173.9	-74.2	0	0	114.3	I62 L132 S133 R139	I62-Q137 HydrophobicContact CD1-CB 4.44Å; I62-Q137 HydrophobicContact CD1-CG 3.09Å; I62-Q137 HydrophobicContact CG1-CG 4.43Å; L132-Q137 PolarHBondContact O-N 3.46Å; S133-Q137 WeakPolarHBondContact O-CA 3.3Å; S133-Q137 PolarHBondContact O-N 3.08Å; Q137-R139 PolarHBondContact O-N 3.3Å
138	I	87.8	Confident	88.8	Confident	54 Å²	54	65.6 Å²	65.6	28%	0.277	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-73.3	122.4	172.6	-55.6	-170.5	0	0	0	107.7	L132 S133 W136 E140	L132-I138 HydrophobicContact CB-CB 4.33Å; L132-I138 HydrophobicContact CB-CD1 4.07Å; L132-I138 HydrophobicContact CB-CG1 4.41Å; L132-I138 HydrophobicContact CD1-CD1 4.25Å; L132-I138 HydrophobicContact CD2-CD1 3.79Å; L132-I138 HydrophobicContact CG-CD1 4.24Å; L132-I138 WeakPolarHBondContact O-CB 3.34Å; L132-I138 PolarHBondContact O-N 2.96Å; S133-I138 WeakPolarHBondContact CA-O 3.28Å; W136-I138 HydrophobicContact CB-CG1 4.15Å; W136-I138 PolarHBondContact O-N 2.96Å; W136-I138 VanDerWaalsContact O-N 3.17Å; I138-E140 PolarHBondContact O-N 3.46Å
139	R	83.8	Confident	88.8	Confident	219 Å²	219	68.2 Å²	68.2	83%	0.826	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-63.7	118.5	-177.8	-164.3	178.8	-147.6	-157.7	5.2	110.5	Q137	Q137-R139 PolarHBondContact O-N 3.3Å
140	E	81.8	Confident	88.9	Confident	54 Å²	54	69 Å²	69	25%	0.252	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-85.4	130.5	175.2	-172.5	172.2	-158.3	0	0	110.3	N129 I138 L142	N129-E140 PolarHBondContact ND2-OE1 3.49Å; I138-E140 PolarHBondContact O-N 3.46Å; E140-L142 HydrophobicContact CG-CD2 4.13Å; E140-L142 HydrophobicContact CG-CG 4.23Å
141	Y	82.9	Confident	89.1	Confident	150 Å²	150	65.6 Å²	65.6	59%	0.588	32%	0.316	S	S	*	.			trans	-92.6	104.3	170.8	-176.4	-96.8	0	0	0	109.8	L143	Y141-L143 HydrophobicContact CD1-CD1 3.89Å; Y141-L143 HydrophobicContact CE1-CD1 4.05Å; Y141-L143 HydrophobicContact CE1-CG 4.25Å
142	L	85.8	Confident	89.4	Confident	11 Å²	11	66.6 Å²	66.6	6%	0.058	32%	0.322	C	S	.	.			trans	-87.4	115.9	-177.9	-70.2	166.3	0	0	0	111.1	E140 S146 T215 T219 C220	E140-L142 HydrophobicContact CG-CD2 4.13Å; E140-L142 HydrophobicContact CG-CG 4.23Å; L142-S146 WeakPolarHBondContact CD2-OG 3.13Å; L142-T215 HydrophobicContact CB-CG2 4.14Å; L142-T219 VanDerWaalsContact CD1-C 3.46Å; L142-C220 HydrophobicContact CD1-CB 3.95Å
143	L	89	Confident	89.7	Confident	86 Å²	86	68 Å²	68	45%	0.45	33%	0.329	S	S	.	.			trans	-73.4	153.9	168.9	-75.9	83.9	0	0	0	110.4	Y141 G145 S146	Y141-L143 HydrophobicContact CD1-CD1 3.89Å; Y141-L143 HydrophobicContact CE1-CD1 4.05Å; Y141-L143 HydrophobicContact CE1-CG 4.25Å; L143-G145 PolarHBondContact O-N 2.99Å; L143-S146 PolarHBondContact N-OG 3.43Å; L143-S146 VanDerWaalsContact N-OG 3.09Å; L143-S146 VanDerWaalsContact O-CB 3.23Å; L143-S146 WeakPolarHBondContact O-CB 3.36Å; L143-S146 PolarHBondContact O-N 3.4Å; L143-S146 PolarHBondContact O-OG 2.91Å
144	P	89.5	Confident	90.1	Very high	128 Å²	128	67.2 Å²	67.2	83%	0.831	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	126	172.3	-25.4	34	0	0	0	111.5	S146	P144-S146 VanDerWaalsContact C-N 3.31Å; P144-S146 PolarHBondContact O-N 3.07Å
145	G	90.4	Very high	90.7	Very high	25 Å²	25	62.2 Å²	62.2	26%	0.258	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	-7.2	-178.7	0	0	0	0	0	115.5	L143 E148 I149 T215	L143-G145 PolarHBondContact O-N 2.99Å; G145-E148 WeakPolarHBondContact CA-OE2 3.43Å; G145-E148 PolarHBondContact O-N 3.4Å; G145-I149 WeakPolarHBondContact O-CG1 3.42Å; G145-I149 PolarHBondContact O-N 3.49Å; G145-I149 VanDerWaalsContact O-N 3.08Å; G145-T215 PolarHBondContact N-OG1 3.38Å
146	S	91.6	Very high	91.2	Very high	31 Å²	31	62.2 Å²	62.2	22%	0.217	31%	0.306	C	S	.	.	H	α-helix	trans	-69.1	-39.4	-176.8	62.2	0	0	0	0	112.8	L142 L143 P144 E148 I149 Q150	L142-S146 WeakPolarHBondContact CD2-OG 3.13Å; L143-S146 PolarHBondContact N-OG 3.43Å; L143-S146 VanDerWaalsContact N-OG 3.09Å; L143-S146 VanDerWaalsContact O-CB 3.23Å; L143-S146 WeakPolarHBondContact O-CB 3.36Å; L143-S146 PolarHBondContact O-N 3.4Å; L143-S146 PolarHBondContact O-OG 2.91Å; P144-S146 VanDerWaalsContact C-N 3.31Å; P144-S146 PolarHBondContact O-N 3.07Å; S146-E148 VanDerWaalsContact C-N 3.33Å; S146-E148 PolarHBondContact O-N 3.27Å; S146-I149 PolarHBondContact O-N 2.8Å; S146-Q150 VanDerWaalsContact O-CB 3.26Å; S146-Q150 WeakPolarHBondContact O-CB 3.41Å; S146-Q150 PolarHBondContact O-N 3Å
147	C	92.8	Very high	91.7	Very high	1 Å²	1	58 Å²	58	1%	0.007	29%	0.293	C	S	.	.	H	α-helix	trans	-58.8	-45.5	174.6	168.9	0	0	0	0	110.7	Q150 N151 T215 C220	C147-Q150 PolarHBondContact O-N 3.23Å; C147-N151 WeakPolarHBondContact O-CB 3.48Å; C147-N151 PolarHBondContact O-N 2.97Å; C147-N151 PolarHBondContact O-ND2 3.43Å; C147-T215 WeakPolarHBondContact CB-OG1 3.5Å; C147-T215 PolarHBondContact N-OG1 3.47Å; C147-C220 HydrophobicContact CB-CB 3.69Å; C147-C220 WeakPolarHBondContact CB-SG 3.34Å; C147-C220 WeakPolarHBondContact SG-CA 3.5Å; C147-C220 WeakPolarHBondContact SG-CB 3.48Å; C147-C220 CovalentContact SG-SG 2.03Å; C147-C220 PolarHBondContact SG-SG 2.61Å
148	E	94.4	Very high	92.2	Very high	32 Å²	32	56.1 Å²	56.1	15%	0.15	28%	0.284	C	S	.	.	H	α-helix	trans	-62.7	-48.8	179.8	-64.6	90.6	149.8	0	0	111.2	G145 S146 N151 I152 A210 F213 T215	G145-E148 WeakPolarHBondContact CA-OE2 3.43Å; G145-E148 PolarHBondContact O-N 3.4Å; S146-E148 VanDerWaalsContact C-N 3.33Å; S146-E148 PolarHBondContact O-N 3.27Å; E148-N151 PolarHBondContact O-N 3.33Å; E148-I152 WeakPolarHBondContact O-CG1 3.5Å; E148-I152 PolarHBondContact O-N 2.77Å; E148-A210 HydrophobicContact CB-CB 3.96Å; E148-A210 HydrophobicContact CG-CB 4.46Å; E148-F213 WeakPolarHBondContact CG-O 3.35Å; E148-T215 PolarHBondContact OE1-N 2.99Å; E148-T215 PolarHBondContact OE2-N 2.92Å; E148-T215 PolarHBondContact OE2-OG1 2.94Å
149	I	95.2	Very high	92.7	Very high	100 Å²	100	54.1 Å²	54.1	51%	0.513	27%	0.273	S	S	.	.	H	α-helix	trans	-63.3	-44.6	178.7	-69.2	169.2	0	0	0	110.9	G145 S146 N151 I152 L153	G145-I149 WeakPolarHBondContact O-CG1 3.42Å; G145-I149 PolarHBondContact O-N 3.49Å; G145-I149 VanDerWaalsContact O-N 3.08Å; S146-I149 PolarHBondContact O-N 2.8Å; I149-N151 VanDerWaalsContact C-N 3.34Å; I149-N151 PolarHBondContact O-N 2.97Å; I149-I152 PolarHBondContact O-N 3.47Å; I149-L153 HydrophobicContact CG2-CD1 3.65Å; I149-L153 HydrophobicContact CG2-CG 4.11Å; I149-L153 WeakPolarHBondContact O-CB 3.39Å; I149-L153 WeakPolarHBondContact O-CG 3.5Å; I149-L153 PolarHBondContact O-N 2.9Å
150	Q	94.2	Very high	93.4	Very high	45 Å²	45	43.8 Å²	43.8	21%	0.21	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-43	178.4	177.7	158.5	-51.1	0	0	111.5	F126 N129 S146 C147 I152 L153 S154	F126-Q150 HydrophobicContact CD1-CG 4.13Å; F126-Q150 HydrophobicContact CE1-CG 4.18Å; N129-Q150 PolarHBondContact ND2-OE1 3.31Å; S146-Q150 VanDerWaalsContact O-CB 3.26Å; S146-Q150 WeakPolarHBondContact O-CB 3.41Å; S146-Q150 PolarHBondContact O-N 3Å; C147-Q150 PolarHBondContact O-N 3.23Å; Q150-I152 VanDerWaalsContact C-N 3.27Å; Q150-I152 PolarHBondContact O-N 3.08Å; Q150-L153 PolarHBondContact O-N 3.4Å; Q150-S154 WeakPolarHBondContact O-CB 3.29Å; Q150-S154 PolarHBondContact O-N 2.96Å
151	N	94.5	Very high	94.2	Very high	34 Å²	34	41.2 Å²	41.2	18%	0.182	22%	0.222	C	C	.	.	H	α-helix	trans	-71.9	-17	177.6	-78.2	-77.7	0	0	0	113.3	C147 E148 I149 P155 Y209 F213 C220	C147-N151 WeakPolarHBondContact O-CB 3.48Å; C147-N151 PolarHBondContact O-N 2.97Å; C147-N151 PolarHBondContact O-ND2 3.43Å; E148-N151 PolarHBondContact O-N 3.33Å; I149-N151 VanDerWaalsContact C-N 3.34Å; I149-N151 PolarHBondContact O-N 2.97Å; N151-P155 WeakPolarHBondContact O-CD 3.37Å; N151-P155 WeakPolarHBondContact O-CG 3.15Å; N151-Y209 HydrophobicContact CB-CD1 4.4Å; N151-Y209 WeakPolarHBondContact O-CB 3.22Å; N151-F213 HydrophobicContact CB-CB 4.26Å; N151-F213 HydrophobicContact CB-CD2 3.92Å; N151-F213 HydrophobicContact CB-CG 4.12Å; N151-C220 PolarHBondContact ND2-SG 3.25Å; N151-C220 VanDerWaalsContact ND2-SG 3.35Å
152	I	97.3	Very high	94.9	Very high	28 Å²	28	34.3 Å²	34.3	14%	0.144	20%	0.195	C	C	.	.	H	α-helix	trans	-82	-54.9	166.5	-65.5	165.2	0	0	0	110.7	E148 I149 Q150 P155 A156 I203 C206 A210	E148-I152 WeakPolarHBondContact O-CG1 3.5Å; E148-I152 PolarHBondContact O-N 2.77Å; I149-I152 PolarHBondContact O-N 3.47Å; Q150-I152 VanDerWaalsContact C-N 3.27Å; Q150-I152 PolarHBondContact O-N 3.08Å; I152-P155 WeakPolarHBondContact O-CD 3.34Å; I152-P155 WeakPolarHBondContact O-CG 3.43Å; I152-A156 WeakPolarHBondContact O-CB 3.24Å; I152-A156 PolarHBondContact O-N 3.46Å; I152-A156 VanDerWaalsContact O-N 3.12Å; I152-I203 HydrophobicContact CG2-CG2 4.16Å; I152-C206 HydrophobicContact CG2-CB 4.16Å; I152-C206 WeakPolarHBondContact O-CB 3.24Å; I152-A210 HydrophobicContact CD1-CB 3.43Å; I152-A210 VanDerWaalsContact CD1-CB 3.43Å; I152-A210 HydrophobicContact CG1-CB 3.9Å
153	L	97.7	Very high	95.5	Very high	57 Å²	57	35.1 Å²	35.1	30%	0.298	20%	0.2	S	C	.	.	H	α-helix	trans	-71.9	-39.8	-166.9	-70	-177	0	0	0	112.3	F126 I149 Q150 A156 V157 I203	F126-L153 HydrophobicContact CE2-CB 3.88Å; F126-L153 HydrophobicContact CZ-CB 3.58Å; F126-L153 HydrophobicContact CZ-CD1 4.22Å; I149-L153 HydrophobicContact CG2-CD1 3.65Å; I149-L153 HydrophobicContact CG2-CG 4.11Å; I149-L153 WeakPolarHBondContact O-CB 3.39Å; I149-L153 WeakPolarHBondContact O-CG 3.5Å; I149-L153 PolarHBondContact O-N 2.9Å; Q150-L153 PolarHBondContact O-N 3.4Å; L153-A156 PolarHBondContact O-N 3.26Å; L153-V157 WeakPolarHBondContact O-CG2 3.37Å; L153-V157 PolarHBondContact O-N 3.1Å; L153-I203 HydrophobicContact CD2-CD1 4.13Å; L153-I203 HydrophobicContact CD2-CG1 4.11Å
154	S	96.6	Very high	96	Very high	28 Å²	28	31.1 Å²	31.1	20%	0.196	18%	0.179	C	C	.	.	H	α-helix	trans	-57.7	-53.5	-179.7	179.5	0	0	0	0	112.6	Q150 V157 Q158	Q150-S154 WeakPolarHBondContact O-CB 3.29Å; Q150-S154 PolarHBondContact O-N 2.96Å; S154-V157 VanDerWaalsContact O-CG2 3.26Å; S154-V157 WeakPolarHBondContact O-CG2 3.39Å; S154-Q158 WeakPolarHBondContact O-CG 3.37Å; S154-Q158 PolarHBondContact O-N 3.19Å; S154-Q158 PolarHBondContact O-NE2 3.09Å; S154-Q158 PolarHBondContact OG-NE2 2.86Å
155	P	96.6	Very high	96.4	Very high	12 Å²	12	25 Å²	25	8%	0.078	14%	0.139	C	C	.	.	H	α-helix	trans	-67.8	-34.8	173.2	24.5	-31.8	0	0	0	112.6	N151 I152 V157 Q158 Y159 C206 Y209	N151-P155 WeakPolarHBondContact O-CD 3.37Å; N151-P155 WeakPolarHBondContact O-CG 3.15Å; I152-P155 WeakPolarHBondContact O-CD 3.34Å; I152-P155 WeakPolarHBondContact O-CG 3.43Å; P155-V157 VanDerWaalsContact C-N 3.33Å; P155-V157 PolarHBondContact O-N 3.08Å; P155-Q158 PolarHBondContact O-N 3.25Å; P155-Q158 VanDerWaalsContact O-N 3.14Å; P155-Y159 HydrophobicContact CB-CD2 4.45Å; P155-Y159 HydrophobicContact CB-CE2 4.01Å; P155-Y159 WeakPolarHBondContact O-CB 3.46Å; P155-Y159 WeakPolarHBondContact O-CD2 3.39Å; P155-Y159 VanDerWaalsContact O-CG 3.3Å; P155-Y159 PolarHBondContact O-N 3.46Å; P155-C206 HydrophobicContact CG-CB 4.37Å; P155-Y209 HydrophobicContact CB-CE2 4.15Å; P155-Y209 HydrophobicContact CG-CD2 3.94Å; P155-Y209 HydrophobicContact CG-CE2 3.85Å; P155-Y209 HydrophobicContact CG-CG 4.38Å
156	A	98.4	Very high	96.8	Very high	2 Å²	2	24.6 Å²	24.6	2%	0.017	13%	0.131	C	C	.	.	H	α-helix	trans	-60	-39.6	-179.9	0	0	0	0	0	113.3	I152 L153 A160 T202 I203 C206	I152-A156 WeakPolarHBondContact O-CB 3.24Å; I152-A156 PolarHBondContact O-N 3.46Å; I152-A156 VanDerWaalsContact O-N 3.12Å; L153-A156 PolarHBondContact O-N 3.26Å; A156-A160 WeakPolarHBondContact O-CB 3.48Å; A156-A160 PolarHBondContact O-N 2.98Å; A156-T202 WeakPolarHBondContact O-CB 3.45Å; A156-T202 PolarHBondContact O-OG1 3.07Å; A156-T202 VanDerWaalsContact O-OG1 3.09Å; A156-I203 HydrophobicContact CB-CG1 3.98Å; A156-C206 HydrophobicContact CB-CB 4.12Å
157	V	98.4	Very high	97.1	Very high	19 Å²	19	24 Å²	24	12%	0.115	13%	0.127	C	C	.	.	H	α-helix	trans	-74.2	-33.9	175.8	-64.4	0	0	0	0	112.3	N119 I122 V123 F126 L153 S154 P155 A160 S161	N119-V157 PolarHBondContact ND2-O 3.38Å; N119-V157 PolarHBondContact OD1-O 3.4Å; I122-V157 HydrophobicContact CB-CG1 4.43Å; I122-V157 HydrophobicContact CG2-CG1 3.86Å; I122-V157 HydrophobicContact CG2-CG2 4.31Å; V123-V157 HydrophobicContact CB-CG2 4.35Å; V123-V157 HydrophobicContact CG2-CB 3.85Å; V123-V157 HydrophobicContact CG2-CG2 3.54Å; F126-V157 HydrophobicContact CD2-CG2 4.02Å; F126-V157 HydrophobicContact CE2-CG2 4.39Å; L153-V157 WeakPolarHBondContact O-CG2 3.37Å; L153-V157 PolarHBondContact O-N 3.1Å; S154-V157 VanDerWaalsContact O-CG2 3.26Å; S154-V157 WeakPolarHBondContact O-CG2 3.39Å; P155-V157 VanDerWaalsContact C-N 3.33Å; P155-V157 PolarHBondContact O-N 3.08Å; V157-A160 PolarHBondContact O-N 2.93Å; V157-S161 PolarHBondContact O-N 2.93Å
158	Q	97.5	Very high	97.3	Very high	63 Å²	63	24 Å²	24	29%	0.294	13%	0.127	S	C	.	.	H	α-helix	trans	-63.5	-44.2	174.4	-72.7	173.8	88.4	0	0	111.1	V123 S154 P155 S161 P162 Y503	V123-Q158 HydrophobicContact CG1-CG 4.02Å; V123-Q158 HydrophobicContact CG2-CG 4.31Å; S154-Q158 WeakPolarHBondContact O-CG 3.37Å; S154-Q158 PolarHBondContact O-N 3.19Å; S154-Q158 PolarHBondContact O-NE2 3.09Å; S154-Q158 PolarHBondContact OG-NE2 2.86Å; P155-Q158 PolarHBondContact O-N 3.25Å; P155-Q158 VanDerWaalsContact O-N 3.14Å; Q158-S161 PolarHBondContact O-N 2.98Å; Q158-P162 WeakPolarHBondContact O-CD 3.49Å; Q158-Y503 PolarHBondContact O-OH 3.45Å
159	Y	98	Very high	97.4	Very high	12 Å²	12	22.6 Å²	22.6	5%	0.047	12%	0.121	C	C	.	.	H	α-helix	trans	-72.8	-27.7	177.4	-64	-22.5	0	0	0	113.8	P155 S161 P162 C206 L237 E238 F241	P155-Y159 HydrophobicContact CB-CD2 4.45Å; P155-Y159 HydrophobicContact CB-CE2 4.01Å; P155-Y159 WeakPolarHBondContact O-CB 3.46Å; P155-Y159 WeakPolarHBondContact O-CD2 3.39Å; P155-Y159 VanDerWaalsContact O-CG 3.3Å; P155-Y159 PolarHBondContact O-N 3.46Å; Y159-S161 VanDerWaalsContact C-N 3.33Å; Y159-P162 WeakPolarHBondContact O-CD 3.19Å; Y159-P162 WeakPolarHBondContact O-CG 3.11Å; Y159-C206 VanDerWaalsContact CD2-SG 3.56Å; Y159-L237 HydrophobicContact CE2-CB 4.15Å; Y159-L237 HydrophobicContact CE2-CD1 4.2Å; Y159-E238 PolarHBondContact OH-OE1 2.85Å; Y159-F241 HydrophobicContact CD1-CB 3.38Å; Y159-F241 HydrophobicContact CD1-CD1 4.35Å; Y159-F241 AromaticContact CD1-CD2 3.9Å; Y159-F241 HydrophobicContact CD1-CD2 3.9Å; Y159-F241 AromaticContact CD1-CG 3.63Å; Y159-F241 HydrophobicContact CD1-CG 3.63Å; Y159-F241 AromaticContact CD2-CD2 3.52Å; Y159-F241 HydrophobicContact CD2-CD2 3.52Å; Y159-F241 AromaticContact CD2-CE2 3.75Å; Y159-F241 HydrophobicContact CD2-CE2 3.75Å; Y159-F241 HydrophobicContact CD2-CG 4Å; Y159-F241 HydrophobicContact CD2-CZ 4.39Å; Y159-F241 HydrophobicContact CE1-CB 3.79Å; Y159-F241 HydrophobicContact CE1-CD2 4.23Å; Y159-F241 HydrophobicContact CE1-CG 4.24Å; Y159-F241 AromaticContact CE2-CD2 3.88Å; Y159-F241 HydrophobicContact CE2-CD2 3.88Å; Y159-F241 HydrophobicContact CE2-CE2 4.3Å; Y159-F241 HydrophobicContact CG-CB 3.84Å; Y159-F241 AromaticContact CG-CD1 3.97Å; Y159-F241 HydrophobicContact CG-CD1 3.97Å; Y159-F241 AromaticContact CG-CD2 3.54Å; Y159-F241 HydrophobicContact CG-CD2 3.54Å; Y159-F241 HydrophobicContact CG-CE1 4.41Å; Y159-F241 HydrophobicContact CG-CE2 4.04Å; Y159-F241 AromaticContact CG-CG 3.5Å; Y159-F241 HydrophobicContact CG-CG 3.5Å; Y159-F241 VanDerWaalsContact CG-CG 3.5Å; Y159-F241 HydrophobicContact CG-CZ 4.45Å
160	A	98.6	Very high	97.5	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-67.6	-33.2	175.6	0	0	0	0	0	112.7	A156 V157 L163 F164 I198 T202	A156-A160 WeakPolarHBondContact O-CB 3.48Å; A156-A160 PolarHBondContact O-N 2.98Å; V157-A160 PolarHBondContact O-N 2.93Å; A160-L163 WeakPolarHBondContact O-CB 3.41Å; A160-L163 PolarHBondContact O-N 2.97Å; A160-L163 VanDerWaalsContact O-N 3.17Å; A160-F164 HydrophobicContact CB-CD2 4.49Å; A160-F164 HydrophobicContact CB-CE2 3.92Å; A160-F164 WeakPolarHBondContact O-CD2 3.3Å; A160-F164 PolarHBondContact O-N 3.33Å; A160-I198 HydrophobicContact CB-CG2 3.9Å; A160-T202 HydrophobicContact CB-CG2 4.2Å
161	S	98.3	Very high	97.6	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.007	10%	0.099	C	C	.	.	H	α-helix	trans	-55.5	-56.5	-178.8	-169.9	0	0	0	0	113.6	L116 D120 V157 Q158 Y159 L163 F164 V165	L116-S161 WeakPolarHBondContact CD1-OG 3.41Å; D120-S161 PolarHBondContact OD1-OG 3.05Å; D120-S161 VanDerWaalsContact OD1-OG 3.11Å; V157-S161 PolarHBondContact O-N 2.93Å; Q158-S161 PolarHBondContact O-N 2.98Å; Y159-S161 VanDerWaalsContact C-N 3.33Å; S161-L163 VanDerWaalsContact C-N 3.25Å; S161-L163 PolarHBondContact O-N 2.79Å; S161-F164 PolarHBondContact O-N 2.98Å; S161-F164 VanDerWaalsContact O-N 3.16Å; S161-V165 PolarHBondContact O-N 3.38Å
162	P	98	Very high	97.6	Very high	4 Å²	4	17.5 Å²	17.5	3%	0.026	9%	0.093	C	C	.	.	H	α-helix	trans	-65.8	-24.6	176.7	27.2	-35.7	0	0	0	113.3	Q158 Y159 V165 L166 V245 T447	Q158-P162 WeakPolarHBondContact O-CD 3.49Å; Y159-P162 WeakPolarHBondContact O-CD 3.19Å; Y159-P162 WeakPolarHBondContact O-CG 3.11Å; P162-V165 WeakPolarHBondContact O-CB 3.37Å; P162-V165 PolarHBondContact O-N 3.36Å; P162-L166 WeakPolarHBondContact O-CB 3.3Å; P162-L166 PolarHBondContact O-N 3.32Å; P162-V245 HydrophobicContact CB-CG1 3.92Å; P162-V245 HydrophobicContact CG-CG1 4.43Å; P162-T447 HydrophobicContact CB-CG2 4.25Å
163	L	98.7	Very high	97.5	Very high	29 Å²	29	19.3 Å²	19.3	15%	0.152	10%	0.099	C	C	.	.	H	α-helix	trans	-70.9	-35.9	173	-72.3	-179.6	0	0	0	113	A160 S161 V165 L166 S167 I198 T202 F241 V245	A160-L163 WeakPolarHBondContact O-CB 3.41Å; A160-L163 PolarHBondContact O-N 2.97Å; A160-L163 VanDerWaalsContact O-N 3.17Å; S161-L163 VanDerWaalsContact C-N 3.25Å; S161-L163 PolarHBondContact O-N 2.79Å; L163-V165 VanDerWaalsContact C-N 3.29Å; L163-L166 HydrophobicContact CD2-CD2 4.36Å; L163-L166 PolarHBondContact O-N 2.92Å; L163-S167 WeakPolarHBondContact O-CB 3.09Å; L163-S167 PolarHBondContact O-N 3.01Å; L163-S167 PolarHBondContact O-OG 2.81Å; L163-I198 HydrophobicContact CB-CD1 4.2Å; L163-I198 HydrophobicContact CB-CG1 4.2Å; L163-I198 HydrophobicContact CB-CG2 3.75Å; L163-I198 HydrophobicContact CD1-CG2 3.9Å; L163-T202 HydrophobicContact CD1-CG2 3.67Å; L163-F241 HydrophobicContact CD1-CE1 3.85Å; L163-F241 HydrophobicContact CG-CE1 4.19Å; L163-V245 HydrophobicContact CD2-CG1 4.09Å; L163-V245 HydrophobicContact CD2-CG2 3.97Å
164	F	98.7	Very high	97.4	Very high	1 Å²	1	18.8 Å²	18.8	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	-62.8	-41.4	170.1	-68.1	-55.6	0	0	0	110.8	A115 L116 N119 A160 S161 S167 F168 C195 I198 I199	A115-F164 HydrophobicContact CB-CD1 4.15Å; A115-F164 HydrophobicContact CB-CE1 3.73Å; A115-F164 HydrophobicContact CB-CZ 3.96Å; L116-F164 HydrophobicContact CB-CB 4.22Å; L116-F164 HydrophobicContact CB-CD2 4.38Å; L116-F164 HydrophobicContact CB-CG 4.49Å; L116-F164 HydrophobicContact CD1-CB 4.27Å; L116-F164 HydrophobicContact CD1-CD2 4.23Å; N119-F164 HydrophobicContact CB-CD2 4.35Å; N119-F164 HydrophobicContact CB-CE2 3.78Å; A160-F164 HydrophobicContact CB-CD2 4.49Å; A160-F164 HydrophobicContact CB-CE2 3.92Å; A160-F164 WeakPolarHBondContact O-CD2 3.3Å; A160-F164 PolarHBondContact O-N 3.33Å; S161-F164 PolarHBondContact O-N 2.98Å; S161-F164 VanDerWaalsContact O-N 3.16Å; F164-S167 WeakPolarHBondContact O-CB 3.48Å; F164-S167 PolarHBondContact O-N 3.09Å; F164-F168 WeakPolarHBondContact O-CD1 3.42Å; F164-F168 PolarHBondContact O-N 2.96Å; F164-C195 HydrophobicContact CE1-CB 3.83Å; F164-I198 HydrophobicContact CD1-CD1 3.81Å; F164-I198 HydrophobicContact CD1-CG2 4.49Å; F164-I198 HydrophobicContact CE1-CB 4.28Å; F164-I198 HydrophobicContact CE1-CD1 4.06Å; F164-I198 HydrophobicContact CE1-CG2 4.13Å; F164-I198 HydrophobicContact CZ-CG2 4.16Å; F164-I199 HydrophobicContact CZ-CD1 4.32Å; F164-I199 HydrophobicContact CZ-CG1 4.03Å
165	V	98.5	Very high	97.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.9	-48	175.6	174.6	0	0	0	0	111.7	L116 S161 P162 L163 S167 F168 T169 V249 S444 T447	L116-V165 HydrophobicContact CD2-CG2 4.15Å; S161-V165 PolarHBondContact O-N 3.38Å; P162-V165 WeakPolarHBondContact O-CB 3.37Å; P162-V165 PolarHBondContact O-N 3.36Å; L163-V165 VanDerWaalsContact C-N 3.29Å; V165-S167 VanDerWaalsContact C-N 3.29Å; V165-S167 PolarHBondContact O-N 3.42Å; V165-F168 HydrophobicContact CB-CE1 4.03Å; V165-F168 HydrophobicContact CB-CZ 4.05Å; V165-F168 HydrophobicContact CG1-CE1 4.3Å; V165-F168 HydrophobicContact CG1-CE2 4.36Å; V165-F168 HydrophobicContact CG1-CZ 3.8Å; V165-F168 HydrophobicContact CG2-CE1 3.82Å; V165-F168 HydrophobicContact CG2-CZ 4Å; V165-T169 WeakPolarHBondContact O-CB 3.41Å; V165-T169 PolarHBondContact O-N 2.89Å; V165-T169 VanDerWaalsContact O-N 3.08Å; V165-T169 PolarHBondContact O-OG1 3.31Å; V165-V249 HydrophobicContact CG1-CG1 3.78Å; V165-V249 HydrophobicContact CG1-CG2 4.32Å; V165-S444 WeakPolarHBondContact CG1-OG 3.12Å; V165-T447 HydrophobicContact CG2-CG2 4.14Å
166	L	98.5	Very high	96.9	Very high	17 Å²	17	17.1 Å²	17.1	9%	0.089	8%	0.084	C	C	.	.	H	α-helix	trans	-56.8	-44.7	173.7	-178.5	59.7	0	0	0	111.4	P162 L163 T169 I170 V245 L248 V249 F252	P162-L166 WeakPolarHBondContact O-CB 3.3Å; P162-L166 PolarHBondContact O-N 3.32Å; L163-L166 HydrophobicContact CD2-CD2 4.36Å; L163-L166 PolarHBondContact O-N 2.92Å; L166-T169 WeakPolarHBondContact O-CB 3.44Å; L166-T169 PolarHBondContact O-N 3.45Å; L166-I170 HydrophobicContact CD1-CD1 3.84Å; L166-I170 HydrophobicContact CD1-CG1 4.09Å; L166-I170 HydrophobicContact CD2-CD1 4.48Å; L166-I170 HydrophobicContact CG-CD1 3.8Å; L166-I170 HydrophobicContact CG-CG1 4.41Å; L166-I170 WeakPolarHBondContact O-CG1 3.5Å; L166-I170 PolarHBondContact O-N 2.92Å; L166-V245 HydrophobicContact CD2-CG1 4.41Å; L166-L248 HydrophobicContact CD1-CB 3.88Å; L166-L248 HydrophobicContact CD2-CB 4.35Å; L166-L248 HydrophobicContact CD2-CD1 4.38Å; L166-V249 HydrophobicContact CB-CG2 3.8Å; L166-V249 HydrophobicContact CD1-CG2 3.98Å; L166-V249 HydrophobicContact CG-CG2 4.46Å; L166-F252 HydrophobicContact CD1-CD2 3.89Å; L166-F252 HydrophobicContact CD1-CE2 4.4Å
167	S	98.2	Very high	96.6	Very high	19 Å²	19	19 Å²	19	13%	0.133	10%	0.096	C	C	.	.	H	α-helix	trans	-63.5	-48	-176.1	-65.2	0	0	0	0	113.2	L163 F164 V165 T169 E171 I198	L163-S167 WeakPolarHBondContact O-CB 3.09Å; L163-S167 PolarHBondContact O-N 3.01Å; L163-S167 PolarHBondContact O-OG 2.81Å; F164-S167 WeakPolarHBondContact O-CB 3.48Å; F164-S167 PolarHBondContact O-N 3.09Å; V165-S167 VanDerWaalsContact C-N 3.29Å; V165-S167 PolarHBondContact O-N 3.42Å; S167-T169 VanDerWaalsContact C-N 3.26Å; S167-T169 PolarHBondContact O-N 3.5Å; S167-E171 WeakPolarHBondContact O-CB 3.5Å; S167-E171 PolarHBondContact O-N 3.08Å; S167-I198 WeakPolarHBondContact OG-CD1 3.39Å
168	F	96.8	Very high	96.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-69.7	-27.9	176.7	70.6	-120.9	0	0	0	112	A109 Y112 L113 L116 F164 V165 R172 L440 V443 S444	A109-F168 HydrophobicContact CB-CB 4.23Å; Y112-F168 HydrophobicContact CD2-CB 3.71Å; Y112-F168 HydrophobicContact CG-CB 4.09Å; L113-F168 HydrophobicContact CD2-CD1 4.3Å; L113-F168 HydrophobicContact CD2-CE1 4.03Å; L116-F168 HydrophobicContact CD2-CE1 4.32Å; F164-F168 WeakPolarHBondContact O-CD1 3.42Å; F164-F168 PolarHBondContact O-N 2.96Å; V165-F168 HydrophobicContact CB-CE1 4.03Å; V165-F168 HydrophobicContact CB-CZ 4.05Å; V165-F168 HydrophobicContact CG1-CE1 4.3Å; V165-F168 HydrophobicContact CG1-CE2 4.36Å; V165-F168 HydrophobicContact CG1-CZ 3.8Å; V165-F168 HydrophobicContact CG2-CE1 3.82Å; V165-F168 HydrophobicContact CG2-CZ 4Å; F168-R172 VanDerWaalsContact O-CB 3.25Å; F168-R172 WeakPolarHBondContact O-CB 3.13Å; F168-R172 PolarHBondContact O-N 2.87Å; F168-L440 HydrophobicContact CD1-CD2 4.47Å; F168-L440 HydrophobicContact CD2-CB 3.95Å; F168-L440 HydrophobicContact CD2-CD1 4.12Å; F168-L440 HydrophobicContact CD2-CD2 3.62Å; F168-L440 HydrophobicContact CD2-CG 4.07Å; F168-L440 HydrophobicContact CE2-CB 3.77Å; F168-L440 HydrophobicContact CE2-CD2 3.76Å; F168-L440 HydrophobicContact CE2-CG 4.25Å; F168-L440 HydrophobicContact CG-CD2 4.03Å; F168-L440 HydrophobicContact CZ-CD2 4.23Å; F168-V443 HydrophobicContact CZ-CB 4.38Å; F168-V443 HydrophobicContact CZ-CG1 4.1Å; F168-S444 WeakPolarHBondContact CE2-OG 3.19Å
169	T	97.5	Very high	95.5	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.018	11%	0.108	C	C	.	.	H	α-helix	trans	-68.7	-47.2	177	-56.8	0	0	0	0	110.6	V165 L166 S167 R172 W173 F252 N253 S444	V165-T169 WeakPolarHBondContact O-CB 3.41Å; V165-T169 PolarHBondContact O-N 2.89Å; V165-T169 VanDerWaalsContact O-N 3.08Å; V165-T169 PolarHBondContact O-OG1 3.31Å; L166-T169 WeakPolarHBondContact O-CB 3.44Å; L166-T169 PolarHBondContact O-N 3.45Å; S167-T169 VanDerWaalsContact C-N 3.26Å; S167-T169 PolarHBondContact O-N 3.5Å; T169-R172 PolarHBondContact O-N 2.85Å; T169-W173 PolarHBondContact O-N 2.92Å; T169-F252 HydrophobicContact CG2-CB 3.66Å; T169-N253 WeakPolarHBondContact CG2-OD1 3.49Å; T169-S444 PolarHBondContact OG1-OG 2.62Å
170	I	97.3	Very high	94.8	Very high	50 Å²	50	26.1 Å²	26.1	26%	0.256	13%	0.127	S	C	.	.	H	α-helix	trans	-60.5	-46.6	174.2	-69.2	171.9	0	0	0	110.6	L166 R172 W173 L174 F252	L166-I170 HydrophobicContact CD1-CD1 3.84Å; L166-I170 HydrophobicContact CD1-CG1 4.09Å; L166-I170 HydrophobicContact CD2-CD1 4.48Å; L166-I170 HydrophobicContact CG-CD1 3.8Å; L166-I170 HydrophobicContact CG-CG1 4.41Å; L166-I170 WeakPolarHBondContact O-CG1 3.5Å; L166-I170 PolarHBondContact O-N 2.92Å; I170-R172 VanDerWaalsContact C-N 3.26Å; I170-R172 PolarHBondContact O-N 3.31Å; I170-W173 PolarHBondContact O-N 3.48Å; I170-L174 HydrophobicContact CG2-CD1 3.9Å; I170-L174 HydrophobicContact CG2-CG 4.26Å; I170-L174 WeakPolarHBondContact O-CB 3.37Å; I170-L174 WeakPolarHBondContact O-CG 3.48Å; I170-L174 PolarHBondContact O-N 3.43Å; I170-F252 HydrophobicContact CD1-CD2 4.1Å; I170-F252 HydrophobicContact CD1-CE2 3.72Å; I170-F252 HydrophobicContact CD1-CZ 4.07Å; I170-F252 HydrophobicContact CG1-CD1 3.97Å; I170-F252 HydrophobicContact CG1-CD2 3.57Å; I170-F252 HydrophobicContact CG1-CE1 3.96Å; I170-F252 HydrophobicContact CG1-CE2 3.56Å; I170-F252 HydrophobicContact CG1-CG 3.79Å; I170-F252 HydrophobicContact CG1-CZ 3.77Å
171	E	95.1	Very high	94.2	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-59.7	-40.5	177.6	-176.8	173.4	102.2	0	0	111.4	S108 Y112 S167 L174 A175 I185 R190	S108-E171 VanDerWaalsContact CB-OE1 3.25Å; S108-E171 WeakPolarHBondContact CB-OE1 3.28Å; S108-E171 PolarHBondContact OG-OE1 3.46Å; Y112-E171 HydrophobicContact CE2-CB 4.35Å; S167-E171 WeakPolarHBondContact O-CB 3.5Å; S167-E171 PolarHBondContact O-N 3.08Å; E171-L174 PolarHBondContact O-N 2.99Å; E171-A175 WeakPolarHBondContact O-CB 3.42Å; E171-A175 PolarHBondContact O-N 3.44Å; E171-I185 HydrophobicContact CG-CG2 4.4Å; E171-R190 IonicContact OE2-CZ 3.51Å; E171-R190 IonicContact OE2-NH2 2.77Å; E171-R190 PolarHBondContact OE2-NH2 3.27Å
172	R	94.7	Very high	93.4	Very high	20 Å²	20	33.1 Å²	33.1	8%	0.075	16%	0.156	C	C	.	.	H	α-helix	trans	-66.7	-43.5	179.2	-176.3	30.1	45.8	-134.9	2.6	111.6	F168 T169 I170 A175 I176 F433 T437 L440	F168-R172 VanDerWaalsContact O-CB 3.25Å; F168-R172 WeakPolarHBondContact O-CB 3.13Å; F168-R172 PolarHBondContact O-N 2.87Å; T169-R172 PolarHBondContact O-N 2.85Å; I170-R172 VanDerWaalsContact C-N 3.26Å; I170-R172 PolarHBondContact O-N 3.31Å; R172-A175 PolarHBondContact O-N 2.89Å; R172-I176 HydrophobicContact CG-CD1 4.28Å; R172-I176 WeakPolarHBondContact O-CD1 3.39Å; R172-I176 WeakPolarHBondContact O-CG1 3.38Å; R172-I176 PolarHBondContact O-N 3.47Å; R172-I176 VanDerWaalsContact O-N 3.15Å; R172-F433 VanDerWaalsContact CZ-CZ 3.45Å; R172-F433 VanDerWaalsContact NH1-CE2 3.27Å; R172-T437 HydrophobicContact CG-CG2 3.91Å; R172-L440 HydrophobicContact CB-CD1 4.26Å; R172-L440 HydrophobicContact CG-CD1 4.24Å
173	W	95.8	Very high	92.5	Very high	67 Å²	67	39.4 Å²	39.4	25%	0.254	19%	0.189	S	C	.	.	H	α-helix	trans	-56.2	-53.8	171.1	175	66.4	0	0	0	111.7	T169 I170 A175 I176 C177 F252 L255 V256	T169-W173 PolarHBondContact O-N 2.92Å; I170-W173 PolarHBondContact O-N 3.48Å; W173-A175 VanDerWaalsContact C-N 3.3Å; W173-A175 PolarHBondContact O-N 3.36Å; W173-I176 WeakPolarHBondContact O-CA 3.16Å; W173-I176 WeakPolarHBondContact O-CB 3.28Å; W173-I176 PolarHBondContact O-N 3.36Å; W173-C177 PolarHBondContact NE1-SG 2.99Å; W173-C177 PolarHBondContact O-N 3.31Å; W173-C177 PolarHBondContact O-SG 3.46Å; W173-C177 VanDerWaalsContact O-SG 3.42Å; W173-F252 HydrophobicContact CB-CD1 4.28Å; W173-F252 AromaticContact CD2-CD1 3.99Å; W173-F252 HydrophobicContact CD2-CD1 3.99Å; W173-F252 HydrophobicContact CD2-CE1 4.03Å; W173-F252 AromaticContact CE3-CD1 3.88Å; W173-F252 HydrophobicContact CE3-CD1 3.88Å; W173-F252 AromaticContact CE3-CE1 3.52Å; W173-F252 HydrophobicContact CE3-CE1 3.52Å; W173-F252 HydrophobicContact CG-CD1 4.17Å; W173-F252 HydrophobicContact CH2-CE1 4.46Å; W173-F252 AromaticContact CZ3-CE1 3.78Å; W173-F252 HydrophobicContact CZ3-CE1 3.78Å; W173-L255 HydrophobicContact CG-CB 4.36Å; W173-L255 HydrophobicContact CZ2-CD1 4.34Å; W173-V256 HydrophobicContact CB-CG2 3.69Å
174	L	94.5	Very high	91.7	Very high	45 Å²	45	47.6 Å²	47.6	24%	0.236	22%	0.218	C	C	.	.	H	α-helix	trans	-56.5	-43.2	-179.8	-74.8	174.3	0	0	0	112.1	I170 E171 I176 C177 K178 I185	I170-L174 HydrophobicContact CG2-CD1 3.9Å; I170-L174 HydrophobicContact CG2-CG 4.26Å; I170-L174 WeakPolarHBondContact O-CB 3.37Å; I170-L174 WeakPolarHBondContact O-CG 3.48Å; I170-L174 PolarHBondContact O-N 3.43Å; E171-L174 PolarHBondContact O-N 2.99Å; L174-I176 VanDerWaalsContact C-N 3.28Å; L174-I176 PolarHBondContact O-N 2.93Å; L174-C177 PolarHBondContact O-N 2.92Å; L174-K178 WeakPolarHBondContact O-CB 3.25Å; L174-K178 PolarHBondContact O-N 2.93Å; L174-I185 HydrophobicContact CB-CD1 4.36Å; L174-I185 HydrophobicContact CB-CG2 3.82Å; L174-I185 HydrophobicContact CD1-CG2 4.21Å
175	A	91.4	Very high	91	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-73.8	-16.3	179.4	0	0	0	0	0	114	E171 R172 W173 I182 C186 R428	E171-A175 WeakPolarHBondContact O-CB 3.42Å; E171-A175 PolarHBondContact O-N 3.44Å; R172-A175 PolarHBondContact O-N 2.89Å; W173-A175 VanDerWaalsContact C-N 3.3Å; W173-A175 PolarHBondContact O-N 3.36Å; A175-I182 HydrophobicContact CB-CG1 4.13Å; A175-C186 WeakPolarHBondContact CB-SG 3.41Å; A175-R428 PolarHBondContact O-NH2 3.25Å
176	I	91.5	Very high	90.3	Very high	6 Å²	6	49.9 Å²	49.9	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-82.1	-39.7	167.2	-64.6	156.4	0	0	0	110.6	R172 W173 L174 V256 E259 L260 V263 R428 F433	R172-I176 HydrophobicContact CG-CD1 4.28Å; R172-I176 WeakPolarHBondContact O-CD1 3.39Å; R172-I176 WeakPolarHBondContact O-CG1 3.38Å; R172-I176 PolarHBondContact O-N 3.47Å; R172-I176 VanDerWaalsContact O-N 3.15Å; W173-I176 WeakPolarHBondContact O-CA 3.16Å; W173-I176 WeakPolarHBondContact O-CB 3.28Å; W173-I176 PolarHBondContact O-N 3.36Å; L174-I176 VanDerWaalsContact C-N 3.28Å; L174-I176 PolarHBondContact O-N 2.93Å; I176-V256 HydrophobicContact CD1-CB 4.49Å; I176-V256 HydrophobicContact CD1-CG1 3.81Å; I176-V256 HydrophobicContact CD1-CG2 4.46Å; I176-E259 HydrophobicContact CG2-CB 3.7Å; I176-L260 HydrophobicContact CD1-CD1 4.18Å; I176-L260 HydrophobicContact CD1-CD2 3.67Å; I176-L260 HydrophobicContact CD1-CG 3.71Å; I176-L260 HydrophobicContact CG1-CD2 4.03Å; I176-L260 HydrophobicContact CG2-CD2 4.45Å; I176-V263 HydrophobicContact CG2-CG2 4.46Å; I176-R428 PolarHBondContact O-NH1 3.29Å; I176-R428 PolarHBondContact O-NH2 3.32Å; I176-F433 HydrophobicContact CG1-CE1 4.41Å; I176-F433 HydrophobicContact CG1-CZ 4.04Å
177	C	91.7	Very high	89.9	Confident	40 Å²	40	50.9 Å²	50.9	27%	0.27	24%	0.24	S	C	.	.	H	α-helix	trans	-74.9	-35.8	-179.5	-67	0	0	0	0	113.5	W173 L174 P179	W173-C177 PolarHBondContact NE1-SG 2.99Å; W173-C177 PolarHBondContact O-N 3.31Å; W173-C177 PolarHBondContact O-SG 3.46Å; W173-C177 VanDerWaalsContact O-SG 3.42Å; L174-C177 PolarHBondContact O-N 2.92Å; C177-P179 VanDerWaalsContact O-CD 3.3Å; C177-P179 WeakPolarHBondContact O-CD 3.15Å
178	K	88.8	Confident	89.6	Confident	116 Å²	116	51.6 Å²	51.6	50%	0.504	25%	0.245	S	C	.	.			trans	-124.4	72.7	-169.4	-61.1	-61	-177.9	180	0	111.6	L174 F180 Y181 I185	L174-K178 WeakPolarHBondContact O-CB 3.25Å; L174-K178 PolarHBondContact O-N 2.93Å; K178-F180 VanDerWaalsContact C-N 3.32Å; K178-F180 PolarHBondContact O-N 2.65Å; K178-Y181 HydrophobicContact CB-CD2 4.11Å; K178-Y181 PolarHBondContact O-N 2.82Å; K178-I185 HydrophobicContact CB-CD1 3.83Å
179	P	84.2	Confident	89.3	Confident	22 Å²	22	58 Å²	58	14%	0.143	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-58	-41.8	-174.4	7.1	-12.5	0	0	0	113.9	C177 Y181 I182 I424 R428	C177-P179 VanDerWaalsContact O-CD 3.3Å; C177-P179 WeakPolarHBondContact O-CD 3.15Å; P179-Y181 PolarHBondContact O-N 3.18Å; P179-I182 VanDerWaalsContact O-CD1 3.28Å; P179-I182 WeakPolarHBondContact O-CD1 3.25Å; P179-I182 WeakPolarHBondContact O-CG1 3.4Å; P179-I182 PolarHBondContact O-N 3.24Å; P179-I424 HydrophobicContact CB-CG2 3.45Å; P179-I424 VanDerWaalsContact CB-CG2 3.45Å; P179-R428 VanDerWaalsContact CG-NH2 3.26Å; P179-R428 VanDerWaalsContact N-NH2 3.1Å
180	F	84.6	Confident	89.2	Confident	106 Å²	106	61.7 Å²	61.7	47%	0.465	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-74.8	-11.2	-173.3	-56.6	-71.2	0	0	0	113.1	K178 Y421 I424	K178-F180 VanDerWaalsContact C-N 3.32Å; K178-F180 PolarHBondContact O-N 2.65Å; F180-Y421 HydrophobicContact CZ-CD2 4.41Å; F180-I424 HydrophobicContact CD1-CD1 3.49Å; F180-I424 VanDerWaalsContact CD1-CD1 3.49Å; F180-I424 HydrophobicContact CE1-CD1 3.7Å
181	Y	84.8	Confident	89.1	Confident	135 Å²	135	59.3 Å²	59.3	53%	0.529	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-107.8	11.2	178.5	-60.8	-82.4	0	0	0	112.3	K178 P179 D183 R184 I185	K178-Y181 HydrophobicContact CB-CD2 4.11Å; K178-Y181 PolarHBondContact O-N 2.82Å; P179-Y181 PolarHBondContact O-N 3.18Å; Y181-D183 VanDerWaalsContact C-N 3.3Å; Y181-D183 PolarHBondContact O-N 3.42Å; Y181-R184 PolarHBondContact O-N 2.71Å; Y181-R184 VanDerWaalsContact O-N 3.09Å; Y181-I185 WeakPolarHBondContact O-CB 3.23Å; Y181-I185 VanDerWaalsContact O-CG1 3.3Å; Y181-I185 WeakPolarHBondContact O-CG1 3.39Å; Y181-I185 PolarHBondContact O-N 2.95Å
182	I	81.6	Confident	89.2	Confident	15 Å²	15	62.8 Å²	62.8	8%	0.077	29%	0.292	C	S	.	.	H	α-helix	trans	-55.5	-43.1	-176.7	-74.6	168.4	0	0	0	111.5	A175 P179 R184 I185 C186 I424	A175-I182 HydrophobicContact CB-CG1 4.13Å; P179-I182 VanDerWaalsContact O-CD1 3.28Å; P179-I182 WeakPolarHBondContact O-CD1 3.25Å; P179-I182 WeakPolarHBondContact O-CG1 3.4Å; P179-I182 PolarHBondContact O-N 3.24Å; I182-R184 PolarHBondContact O-N 3.4Å; I182-I185 PolarHBondContact O-N 3.49Å; I182-C186 HydrophobicContact CG2-CB 4.09Å; I182-C186 WeakPolarHBondContact O-CA 3.46Å; I182-C186 VanDerWaalsContact O-CB 3.23Å; I182-C186 WeakPolarHBondContact O-CB 3.21Å; I182-C186 PolarHBondContact O-N 2.9Å; I182-I424 HydrophobicContact CD1-CG2 4.48Å
183	D	80.5	Confident	89.3	Confident	136 Å²	136	70 Å²	70	73%	0.727	32%	0.32	S	S	*	.	H	α-helix	trans	-69.6	-24.4	-176.4	-60.3	-32.1	0	0	0	112.6	Y181	Y181-D183 VanDerWaalsContact C-N 3.3Å; Y181-D183 PolarHBondContact O-N 3.42Å
184	R	81.3	Confident	89.4	Confident	201 Å²	201	68.8 Å²	68.8	76%	0.758	32%	0.319	S	S	*	.	H	α-helix	trans	-82.7	-42.4	172.8	-173.7	178	177.8	-176.3	-0.6	112.1	Y181 I182	Y181-R184 PolarHBondContact O-N 2.71Å; Y181-R184 VanDerWaalsContact O-N 3.09Å; I182-R184 PolarHBondContact O-N 3.4Å
185	I	82.6	Confident	89.6	Confident	25 Å²	25	67 Å²	67	13%	0.128	31%	0.31	C	S	.	.	H	α-helix	trans	-75.7	-53.9	-176.7	-65.9	167.1	0	0	0	110.2	E171 L174 K178 Y181 I182 S187 R190	E171-I185 HydrophobicContact CG-CG2 4.4Å; L174-I185 HydrophobicContact CB-CD1 4.36Å; L174-I185 HydrophobicContact CB-CG2 3.82Å; L174-I185 HydrophobicContact CD1-CG2 4.21Å; K178-I185 HydrophobicContact CB-CD1 3.83Å; Y181-I185 WeakPolarHBondContact O-CB 3.23Å; Y181-I185 VanDerWaalsContact O-CG1 3.3Å; Y181-I185 WeakPolarHBondContact O-CG1 3.39Å; Y181-I185 PolarHBondContact O-N 2.95Å; I182-I185 PolarHBondContact O-N 3.49Å; I185-S187 PolarHBondContact O-N 3.41Å; I185-R190 PolarHBondContact O-NE 3.42Å; I185-R190 PolarHBondContact O-NH2 3.5Å
186	C	84.7	Confident	90	Very high	24 Å²	24	71.4 Å²	71.4	16%	0.162	33%	0.332	C	S	.	.	S	Bend	trans	-85.9	56.5	-178.5	-68.9	0	0	0	0	111.7	S108 A175 I182	S108-C186 WeakPolarHBondContact OG-CA 3.35Å; S108-C186 WeakPolarHBondContact OG-CB 3.34Å; A175-C186 WeakPolarHBondContact CB-SG 3.41Å; I182-C186 HydrophobicContact CG2-CB 4.09Å; I182-C186 WeakPolarHBondContact O-CA 3.46Å; I182-C186 VanDerWaalsContact O-CB 3.23Å; I182-C186 WeakPolarHBondContact O-CB 3.21Å; I182-C186 PolarHBondContact O-N 2.9Å
187	S	90.1	Very high	90.3	Very high	37 Å²	37	76.7 Å²	76.7	26%	0.259	36%	0.36	S	S	.	.			trans	-100.3	127.3	176.7	176.3	0	0	0	0	111.2	I185 K189 R190 A191	I185-S187 PolarHBondContact O-N 3.41Å; S187-K189 PolarHBondContact O-N 3.01Å; S187-K189 PolarHBondContact OG-N 2.95Å; S187-R190 WeakPolarHBondContact O-CB 3.45Å; S187-R190 PolarHBondContact O-N 3.47Å; S187-R190 VanDerWaalsContact O-N 3.13Å; S187-A191 PolarHBondContact O-N 3.1Å
188	S	91.4	Very high	90.6	Very high	35 Å²	35	75.1 Å²	75.1	25%	0.245	35%	0.349	C	S	.	.	H	α-helix	trans	-59.1	-34.1	177.4	-42.1	0	0	0	0	112.3	I104 A191 I192	I104-S188 VanDerWaalsContact CG2-OG 3.31Å; I104-S188 WeakPolarHBondContact CG2-OG 3.29Å; I104-S188 PolarHBondContact O-OG 2.98Å; S188-A191 PolarHBondContact O-N 3.36Å; S188-I192 VanDerWaalsContact O-CG1 3.29Å; S188-I192 WeakPolarHBondContact O-CG1 3.33Å; S188-I192 PolarHBondContact O-N 2.69Å
189	K	92.2	Very high	91.1	Very high	134 Å²	134	73.1 Å²	73.1	58%	0.583	34%	0.343	S	S	*	.	H	α-helix	trans	-63.6	-46.2	176.4	-69.6	-177.1	-178.9	-178.4	0	111.3	S187 A191 I192 Y193	S187-K189 PolarHBondContact O-N 3.01Å; S187-K189 PolarHBondContact OG-N 2.95Å; K189-A191 VanDerWaalsContact C-N 3.33Å; K189-A191 PolarHBondContact O-N 3.1Å; K189-I192 PolarHBondContact O-N 3.48Å; K189-Y193 WeakPolarHBondContact O-CD2 3.16Å; K189-Y193 PolarHBondContact O-N 3.38Å; K189-Y193 VanDerWaalsContact O-N 3.15Å
190	R	94.2	Very high	91.8	Very high	80 Å²	80	75.6 Å²	75.6	30%	0.302	36%	0.36	S	S	.	.	H	α-helix	trans	-61.5	-43.9	177.3	-171	-173.8	73.9	98.6	6.3	111	E171 I185 S187 I192 Y193 I194	E171-R190 IonicContact OE2-CZ 3.51Å; E171-R190 IonicContact OE2-NH2 2.77Å; E171-R190 PolarHBondContact OE2-NH2 3.27Å; I185-R190 PolarHBondContact O-NE 3.42Å; I185-R190 PolarHBondContact O-NH2 3.5Å; S187-R190 WeakPolarHBondContact O-CB 3.45Å; S187-R190 PolarHBondContact O-N 3.47Å; S187-R190 VanDerWaalsContact O-N 3.13Å; R190-I192 VanDerWaalsContact C-N 3.31Å; R190-I192 PolarHBondContact O-N 3.25Å; R190-Y193 PolarHBondContact O-N 3.22Å; R190-I194 HydrophobicContact CG-CD1 4.03Å; R190-I194 WeakPolarHBondContact O-CG1 3.26Å; R190-I194 PolarHBondContact O-N 3.31Å
191	A	96.1	Very high	92.4	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-60.2	-40.4	177.6	0	0	0	0	0	112.2	V111 Y112 S187 S188 K189 I194 C195	V111-A191 HydrophobicContact CB-CB 3.73Å; V111-A191 HydrophobicContact CG1-CB 3.77Å; V111-A191 HydrophobicContact CG2-CB 4.19Å; Y112-A191 HydrophobicContact CD2-CB 4.45Å; Y112-A191 HydrophobicContact CE1-CB 4.09Å; Y112-A191 HydrophobicContact CE2-CB 3.83Å; S187-A191 PolarHBondContact O-N 3.1Å; S188-A191 PolarHBondContact O-N 3.36Å; K189-A191 VanDerWaalsContact C-N 3.33Å; K189-A191 PolarHBondContact O-N 3.1Å; A191-I194 PolarHBondContact O-N 2.92Å; A191-C195 PolarHBondContact O-N 3.22Å; A191-C195 PolarHBondContact O-SG 3.39Å
192	I	96.9	Very high	93.1	Very high	75 Å²	75	66.2 Å²	66.2	39%	0.385	33%	0.327	S	S	.	.	H	α-helix	trans	-61.3	-47.8	174.9	-67.7	164.6	0	0	0	111	V111 S188 K189 R190 I194 C195 I196	V111-I192 HydrophobicContact CG1-CG1 3.73Å; S188-I192 VanDerWaalsContact O-CG1 3.29Å; S188-I192 WeakPolarHBondContact O-CG1 3.33Å; S188-I192 PolarHBondContact O-N 2.69Å; K189-I192 PolarHBondContact O-N 3.48Å; R190-I192 VanDerWaalsContact C-N 3.31Å; R190-I192 PolarHBondContact O-N 3.25Å; I192-I194 VanDerWaalsContact C-N 3.31Å; I192-I194 PolarHBondContact O-N 2.93Å; I192-C195 WeakPolarHBondContact O-CB 3.37Å; I192-C195 PolarHBondContact O-N 3.12Å; I192-C195 VanDerWaalsContact O-N 3.14Å; I192-I196 HydrophobicContact CG2-CD1 3.94Å; I192-I196 WeakPolarHBondContact O-CG1 3.31Å; I192-I196 PolarHBondContact O-N 2.99Å
193	Y	97.5	Very high	93.9	Very high	170 Å²	170	68.6 Å²	68.6	67%	0.667	34%	0.34	S	S	*	.	H	α-helix	trans	-60.3	-40.8	177.9	-73.3	-64.1	0	0	0	112.5	K189 R190 C195 I196 L197	K189-Y193 WeakPolarHBondContact O-CD2 3.16Å; K189-Y193 PolarHBondContact O-N 3.38Å; K189-Y193 VanDerWaalsContact O-N 3.15Å; R190-Y193 PolarHBondContact O-N 3.22Å; Y193-C195 VanDerWaalsContact C-N 3.33Å; Y193-I196 PolarHBondContact O-N 3.45Å; Y193-L197 WeakPolarHBondContact O-CB 3.26Å; Y193-L197 PolarHBondContact O-N 2.94Å
194	I	98	Very high	94.7	Very high	43 Å²	43	68 Å²	68	22%	0.221	34%	0.336	C	S	.	.	H	α-helix	trans	-63.6	-40.9	175.6	-68.9	166.7	0	0	0	110.7	Y112 R190 A191 I192 I196 L197 I198	Y112-I194 HydrophobicContact CE1-CB 4.04Å; Y112-I194 HydrophobicContact CE1-CG2 3.77Å; Y112-I194 WeakPolarHBondContact OH-CD1 3.48Å; R190-I194 HydrophobicContact CG-CD1 4.03Å; R190-I194 WeakPolarHBondContact O-CG1 3.26Å; R190-I194 PolarHBondContact O-N 3.31Å; A191-I194 PolarHBondContact O-N 2.92Å; I192-I194 VanDerWaalsContact C-N 3.31Å; I192-I194 PolarHBondContact O-N 2.93Å; I194-I196 PolarHBondContact O-N 3.17Å; I194-L197 PolarHBondContact O-N 3.01Å; I194-I198 HydrophobicContact CG2-CD1 3.91Å; I194-I198 HydrophobicContact CG2-CG1 4.45Å; I194-I198 VanDerWaalsContact O-CG1 3.3Å; I194-I198 WeakPolarHBondContact O-CG1 3.45Å; I194-I198 PolarHBondContact O-N 3.02Å
195	C	98.5	Very high	95.5	Very high	8 Å²	8	61.5 Å²	61.5	5%	0.054	32%	0.318	C	S	.	.	H	α-helix	trans	-62.6	-43.5	177.2	-65.1	0	0	0	0	112.2	Y112 A115 F164 A191 I192 Y193 L197 I198 I199	Y112-C195 VanDerWaalsContact CD1-SG 3.55Å; A115-C195 HydrophobicContact CB-CB 4.18Å; F164-C195 HydrophobicContact CE1-CB 3.83Å; A191-C195 PolarHBondContact O-N 3.22Å; A191-C195 PolarHBondContact O-SG 3.39Å; I192-C195 WeakPolarHBondContact O-CB 3.37Å; I192-C195 PolarHBondContact O-N 3.12Å; I192-C195 VanDerWaalsContact O-N 3.14Å; Y193-C195 VanDerWaalsContact C-N 3.33Å; C195-L197 VanDerWaalsContact C-N 3.34Å; C195-I198 PolarHBondContact O-N 3.01Å; C195-I199 VanDerWaalsContact O-CG1 3.31Å; C195-I199 WeakPolarHBondContact O-CG1 3.5Å; C195-I199 PolarHBondContact O-N 3.01Å; C195-I199 VanDerWaalsContact O-N 3.1Å
196	I	98.4	Very high	96.2	Very high	91 Å²	91	60.3 Å²	60.3	47%	0.467	31%	0.312	S	S	.	.	H	α-helix	trans	-62.6	-44	176.3	-65.6	167.8	0	0	0	110.3	I192 Y193 I194 I198 I199 C200	I192-I196 HydrophobicContact CG2-CD1 3.94Å; I192-I196 WeakPolarHBondContact O-CG1 3.31Å; I192-I196 PolarHBondContact O-N 2.99Å; Y193-I196 PolarHBondContact O-N 3.45Å; I194-I196 PolarHBondContact O-N 3.17Å; I196-I198 PolarHBondContact O-N 3.45Å; I196-I199 PolarHBondContact O-N 3.45Å; I196-C200 WeakPolarHBondContact O-CB 3.48Å; I196-C200 PolarHBondContact O-N 2.84Å; I196-C200 PolarHBondContact O-SG 3.03Å; I196-C200 VanDerWaalsContact O-SG 3.36Å
197	L	98.5	Very high	96.8	Very high	117 Å²	117	62 Å²	62	61%	0.613	32%	0.324	S	S	*	.	H	α-helix	trans	-59.6	-45.5	177.6	-173.6	155.3	0	0	0	111.5	Y193 I194 C195 I199 C200 S201	Y193-L197 WeakPolarHBondContact O-CB 3.26Å; Y193-L197 PolarHBondContact O-N 2.94Å; I194-L197 PolarHBondContact O-N 3.01Å; C195-L197 VanDerWaalsContact C-N 3.34Å; L197-I199 PolarHBondContact O-N 3.26Å; L197-C200 PolarHBondContact O-N 3.29Å; L197-S201 WeakPolarHBondContact O-CB 3.29Å; L197-S201 PolarHBondContact O-N 3.25Å; L197-S201 PolarHBondContact O-OG 3.29Å; L197-S201 VanDerWaalsContact O-OG 3.04Å
198	I	98.7	Very high	97.1	Very high	8 Å²	8	61.2 Å²	61.2	4%	0.041	32%	0.322	C	S	.	.	H	α-helix	trans	-56	-53.9	176.3	-71.5	164.4	0	0	0	110.1	A160 L163 F164 S167 I194 C195 I196 C200 S201 T202	A160-I198 HydrophobicContact CB-CG2 3.9Å; L163-I198 HydrophobicContact CB-CD1 4.2Å; L163-I198 HydrophobicContact CB-CG1 4.2Å; L163-I198 HydrophobicContact CB-CG2 3.75Å; L163-I198 HydrophobicContact CD1-CG2 3.9Å; F164-I198 HydrophobicContact CD1-CD1 3.81Å; F164-I198 HydrophobicContact CD1-CG2 4.49Å; F164-I198 HydrophobicContact CE1-CB 4.28Å; F164-I198 HydrophobicContact CE1-CD1 4.06Å; F164-I198 HydrophobicContact CE1-CG2 4.13Å; F164-I198 HydrophobicContact CZ-CG2 4.16Å; S167-I198 WeakPolarHBondContact OG-CD1 3.39Å; I194-I198 HydrophobicContact CG2-CD1 3.91Å; I194-I198 HydrophobicContact CG2-CG1 4.45Å; I194-I198 VanDerWaalsContact O-CG1 3.3Å; I194-I198 WeakPolarHBondContact O-CG1 3.45Å; I194-I198 PolarHBondContact O-N 3.02Å; C195-I198 PolarHBondContact O-N 3.01Å; I196-I198 PolarHBondContact O-N 3.45Å; I198-C200 PolarHBondContact O-N 3.3Å; I198-S201 WeakPolarHBondContact CA-OG 3.37Å; I198-S201 PolarHBondContact O-N 3.46Å; I198-S201 PolarHBondContact O-OG 2.93Å; I198-T202 WeakPolarHBondContact O-CG2 3.37Å; I198-T202 PolarHBondContact O-N 3.33Å; I198-T202 PolarHBondContact O-OG1 3.37Å
199	I	98.6	Very high	97.3	Very high	73 Å²	73	60.6 Å²	60.6	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-58.3	-49.2	-178.4	-66	164.2	0	0	0	111.1	F164 C195 I196 L197 S201 T202 I203	F164-I199 HydrophobicContact CZ-CD1 4.32Å; F164-I199 HydrophobicContact CZ-CG1 4.03Å; C195-I199 VanDerWaalsContact O-CG1 3.31Å; C195-I199 WeakPolarHBondContact O-CG1 3.5Å; C195-I199 PolarHBondContact O-N 3.01Å; C195-I199 VanDerWaalsContact O-N 3.1Å; I196-I199 PolarHBondContact O-N 3.45Å; L197-I199 PolarHBondContact O-N 3.26Å; I199-S201 VanDerWaalsContact C-N 3.34Å; I199-S201 PolarHBondContact O-N 2.82Å; I199-T202 PolarHBondContact O-OG1 2.98Å; I199-I203 HydrophobicContact CG2-CD1 3.87Å; I199-I203 VanDerWaalsContact O-CG1 3.27Å; I199-I203 WeakPolarHBondContact O-CG1 3.34Å; I199-I203 PolarHBondContact O-N 3.15Å; I199-I203 VanDerWaalsContact O-N 3.15Å
200	C	98.6	Very high	97.4	Very high	75 Å²	75	55.5 Å²	55.5	51%	0.507	30%	0.297	S	S	.	.	H	α-helix	trans	-63.9	-40.4	178.9	-67.2	0	0	0	0	111.9	I196 L197 I198 L204	I196-C200 WeakPolarHBondContact O-CB 3.48Å; I196-C200 PolarHBondContact O-N 2.84Å; I196-C200 PolarHBondContact O-SG 3.03Å; I196-C200 VanDerWaalsContact O-SG 3.36Å; L197-C200 PolarHBondContact O-N 3.29Å; I198-C200 PolarHBondContact O-N 3.3Å; C200-L204 WeakPolarHBondContact O-CB 3.48Å; C200-L204 PolarHBondContact O-N 2.92Å
201	S	98.4	Very high	97.3	Very high	41 Å²	41	58.6 Å²	58.6	29%	0.287	31%	0.31	S	S	.	.	H	α-helix	trans	-67.7	-39.8	-179.2	69.3	0	0	0	0	112.8	L197 I198 I199 L204 V205	L197-S201 WeakPolarHBondContact O-CB 3.29Å; L197-S201 PolarHBondContact O-N 3.25Å; L197-S201 PolarHBondContact O-OG 3.29Å; L197-S201 VanDerWaalsContact O-OG 3.04Å; I198-S201 WeakPolarHBondContact CA-OG 3.37Å; I198-S201 PolarHBondContact O-N 3.46Å; I198-S201 PolarHBondContact O-OG 2.93Å; I199-S201 VanDerWaalsContact C-N 3.34Å; I199-S201 PolarHBondContact O-N 2.82Å; S201-L204 PolarHBondContact O-N 3.42Å; S201-V205 WeakPolarHBondContact O-CB 3.26Å; S201-V205 VanDerWaalsContact O-CG2 3.31Å; S201-V205 WeakPolarHBondContact O-CG2 3.36Å; S201-V205 PolarHBondContact O-N 3.2Å
202	T	98.5	Very high	97.3	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.018	31%	0.312	C	S	.	.	H	α-helix	trans	-71.7	-39	178.7	56.5	0	0	0	0	111.6	A156 A160 L163 I198 I199 L204 V205 C206 F241	A156-T202 WeakPolarHBondContact O-CB 3.45Å; A156-T202 PolarHBondContact O-OG1 3.07Å; A156-T202 VanDerWaalsContact O-OG1 3.09Å; A160-T202 HydrophobicContact CB-CG2 4.2Å; L163-T202 HydrophobicContact CD1-CG2 3.67Å; I198-T202 WeakPolarHBondContact O-CG2 3.37Å; I198-T202 PolarHBondContact O-N 3.33Å; I198-T202 PolarHBondContact O-OG1 3.37Å; I199-T202 PolarHBondContact O-OG1 2.98Å; T202-L204 VanDerWaalsContact C-N 3.34Å; T202-L204 PolarHBondContact O-N 3.25Å; T202-V205 PolarHBondContact O-N 3.43Å; T202-C206 VanDerWaalsContact O-CB 3.32Å; T202-C206 WeakPolarHBondContact O-CB 2.93Å; T202-C206 PolarHBondContact O-N 2.9Å; T202-C206 PolarHBondContact O-SG 3.28Å; T202-F241 HydrophobicContact CG2-CE1 4.32Å; T202-F241 HydrophobicContact CG2-CZ 4.42Å
203	I	98.3	Very high	97.1	Very high	65 Å²	65	56.7 Å²	56.7	33%	0.333	30%	0.299	S	S	.	.	H	α-helix	trans	-60.6	-45	172.7	-67.5	169.7	0	0	0	110.6	I152 L153 A156 I199 C206 S207	I152-I203 HydrophobicContact CG2-CG2 4.16Å; L153-I203 HydrophobicContact CD2-CD1 4.13Å; L153-I203 HydrophobicContact CD2-CG1 4.11Å; A156-I203 HydrophobicContact CB-CG1 3.98Å; I199-I203 HydrophobicContact CG2-CD1 3.87Å; I199-I203 VanDerWaalsContact O-CG1 3.27Å; I199-I203 WeakPolarHBondContact O-CG1 3.34Å; I199-I203 PolarHBondContact O-N 3.15Å; I199-I203 VanDerWaalsContact O-N 3.15Å; I203-C206 CarbonylContact O-C 3.59Å; I203-C206 PolarHBondContact O-N 2.79Å; I203-S207 PolarHBondContact O-N 3.18Å
204	L	97.9	Very high	97	Very high	124 Å²	124	51.5 Å²	51.5	65%	0.649	28%	0.282	S	S	*	.	H	α-helix	trans	-60.9	-48.2	178.5	180	64.7	0	0	0	111.4	C200 S201 T202 C206 S207	C200-L204 WeakPolarHBondContact O-CB 3.48Å; C200-L204 PolarHBondContact O-N 2.92Å; S201-L204 PolarHBondContact O-N 3.42Å; T202-L204 VanDerWaalsContact C-N 3.34Å; T202-L204 PolarHBondContact O-N 3.25Å; L204-C206 VanDerWaalsContact C-N 3.32Å; L204-C206 PolarHBondContact O-N 3.23Å; L204-S207 VanDerWaalsContact O-CB 3.28Å; L204-S207 WeakPolarHBondContact O-CB 3.37Å; L204-S207 PolarHBondContact O-N 3.39Å; L204-S207 PolarHBondContact O-OG 3.28Å
205	V	97.5	Very high	96.7	Very high	63 Å²	63	50.8 Å²	50.8	38%	0.382	28%	0.28	S	S	.	.	H	α-helix	trans	-65.4	-35.6	179.6	169.7	0	0	0	0	111.7	S201 T202 S207 Y233 L237 F241	S201-V205 WeakPolarHBondContact O-CB 3.26Å; S201-V205 VanDerWaalsContact O-CG2 3.31Å; S201-V205 WeakPolarHBondContact O-CG2 3.36Å; S201-V205 PolarHBondContact O-N 3.2Å; T202-V205 PolarHBondContact O-N 3.43Å; V205-S207 VanDerWaalsContact C-N 3.31Å; V205-S207 PolarHBondContact O-N 2.94Å; V205-Y233 PolarHBondContact O-OH 3.01Å; V205-L237 HydrophobicContact CG1-CD2 3.21Å; V205-F241 HydrophobicContact CG1-CE2 4.08Å
206	C	98	Very high	96.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-80.5	-5.7	176.8	-62	0	0	0	0	113.8	I152 P155 A156 Y159 T202 I203 L204 G208 Y209	I152-C206 HydrophobicContact CG2-CB 4.16Å; I152-C206 WeakPolarHBondContact O-CB 3.24Å; P155-C206 HydrophobicContact CG-CB 4.37Å; A156-C206 HydrophobicContact CB-CB 4.12Å; Y159-C206 VanDerWaalsContact CD2-SG 3.56Å; T202-C206 VanDerWaalsContact O-CB 3.32Å; T202-C206 WeakPolarHBondContact O-CB 2.93Å; T202-C206 PolarHBondContact O-N 2.9Å; T202-C206 PolarHBondContact O-SG 3.28Å; I203-C206 CarbonylContact O-C 3.59Å; I203-C206 PolarHBondContact O-N 2.79Å; L204-C206 VanDerWaalsContact C-N 3.32Å; L204-C206 PolarHBondContact O-N 3.23Å; C206-G208 PolarHBondContact O-N 3.31Å; C206-G208 VanDerWaalsContact O-N 3.1Å; C206-Y209 HydrophobicContact CB-CD2 4.22Å; C206-Y209 WeakPolarHBondContact O-CB 3.34Å; C206-Y209 WeakPolarHBondContact O-CD2 3.09Å; C206-Y209 PolarHBondContact O-N 3.49Å
207	S	96.6	Very high	95.5	Very high	59 Å²	59	57.4 Å²	57.4	41%	0.413	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.6	-179.3	65.8	0	0	0	0	113.5	I203 L204 V205 Y209 A210	I203-S207 PolarHBondContact O-N 3.18Å; L204-S207 VanDerWaalsContact O-CB 3.28Å; L204-S207 WeakPolarHBondContact O-CB 3.37Å; L204-S207 PolarHBondContact O-N 3.39Å; L204-S207 PolarHBondContact O-OG 3.28Å; V205-S207 VanDerWaalsContact C-N 3.31Å; V205-S207 PolarHBondContact O-N 2.94Å; S207-Y209 PolarHBondContact O-N 3.22Å; S207-A210 PolarHBondContact O-N 3.13Å; S207-A210 VanDerWaalsContact O-N 3.09Å
208	G	95.8	Very high	94.7	Very high	22 Å²	22	56.2 Å²	56.2	23%	0.227	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.7	173.2	0	0	0	0	0	113.9	C206 A210 Y211 I212 Y233	C206-G208 PolarHBondContact O-N 3.31Å; C206-G208 VanDerWaalsContact O-N 3.1Å; G208-A210 VanDerWaalsContact C-N 3.29Å; G208-A210 PolarHBondContact O-N 3.05Å; G208-Y211 WeakPolarHBondContact O-CB 3.49Å; G208-Y211 PolarHBondContact O-N 3.43Å; G208-I212 PolarHBondContact O-N 3.46Å; G208-Y233 WeakPolarHBondContact CA-OH 3.3Å; G208-Y233 PolarHBondContact N-OH 3.22Å
209	Y	95.5	Very high	94.1	Very high	22 Å²	22	59.1 Å²	59.1	9%	0.086	33%	0.327	C	S	.	.	H	α-helix	trans	-61.5	-33.6	173.5	-83.4	-87.3	0	0	0	113.1	N151 P155 C206 S207 Y211 I212 F213 Y233 L234 L237	N151-Y209 HydrophobicContact CB-CD1 4.4Å; N151-Y209 WeakPolarHBondContact O-CB 3.22Å; P155-Y209 HydrophobicContact CB-CE2 4.15Å; P155-Y209 HydrophobicContact CG-CD2 3.94Å; P155-Y209 HydrophobicContact CG-CE2 3.85Å; P155-Y209 HydrophobicContact CG-CG 4.38Å; C206-Y209 HydrophobicContact CB-CD2 4.22Å; C206-Y209 WeakPolarHBondContact O-CB 3.34Å; C206-Y209 WeakPolarHBondContact O-CD2 3.09Å; C206-Y209 PolarHBondContact O-N 3.49Å; S207-Y209 PolarHBondContact O-N 3.22Å; Y209-Y211 PolarHBondContact O-N 3.46Å; Y209-I212 PolarHBondContact O-N 3.32Å; Y209-F213 HydrophobicContact CD1-CD2 4.01Å; Y209-F213 AromaticContact CD1-CE2 3.7Å; Y209-F213 HydrophobicContact CD1-CE2 3.7Å; Y209-F213 HydrophobicContact CE1-CE2 4.17Å; Y209-F213 PolarHBondContact O-N 3.01Å; Y209-Y233 HydrophobicContact CD2-CE1 4.13Å; Y209-Y233 HydrophobicContact CE2-CE1 4.25Å; Y209-L234 HydrophobicContact CE1-CD1 4.23Å; Y209-L237 HydrophobicContact CD2-CD1 4.4Å; Y209-L237 HydrophobicContact CE2-CD1 3.6Å
210	A	94.7	Very high	93.7	Very high	26 Å²	26	58.4 Å²	58.4	22%	0.215	33%	0.327	C	S	.	.	H	α-helix	trans	-71.9	-15.4	174.7	0	0	0	0	0	113.6	E148 I152 S207 G208 R223	E148-A210 HydrophobicContact CB-CB 3.96Å; E148-A210 HydrophobicContact CG-CB 4.46Å; I152-A210 HydrophobicContact CD1-CB 3.43Å; I152-A210 VanDerWaalsContact CD1-CB 3.43Å; I152-A210 HydrophobicContact CG1-CB 3.9Å; S207-A210 PolarHBondContact O-N 3.13Å; S207-A210 VanDerWaalsContact O-N 3.09Å; G208-A210 VanDerWaalsContact C-N 3.29Å; G208-A210 PolarHBondContact O-N 3.05Å; A210-R223 PolarHBondContact O-NH1 3.05Å
211	Y	93.2	Very high	93.3	Very high	145 Å²	145	56.9 Å²	56.9	57%	0.569	32%	0.317	S	S	*	.	H	α-helix	trans	-77.8	-33.4	167.4	-176.4	-104.4	0	0	0	111.3	G208 Y209 R223 I225	G208-Y211 WeakPolarHBondContact O-CB 3.49Å; G208-Y211 PolarHBondContact O-N 3.43Å; Y209-Y211 PolarHBondContact O-N 3.46Å; Y211-R223 VanDerWaalsContact O-CD 3.27Å; Y211-R223 WeakPolarHBondContact O-CD 3.44Å; Y211-R223 PolarHBondContact O-NH1 2.88Å; Y211-I225 HydrophobicContact CD1-CD1 3.63Å; Y211-I225 HydrophobicContact CE1-CD1 3.47Å; Y211-I225 VanDerWaalsContact CE1-CD1 3.47Å; Y211-I225 HydrophobicContact CE1-CG1 3.93Å; Y211-I225 HydrophobicContact CE1-CG2 4.26Å; Y211-I225 WeakPolarHBondContact O-CD1 3.26Å
212	I	94.7	Very high	92.9	Very high	7 Å²	7	61.8 Å²	61.8	4%	0.036	33%	0.334	C	S	.	.	H	α-helix	trans	-81.7	-39.2	-175.7	-63.3	168.9	0	0	0	112.5	G208 Y209 R223 I225 I230 Y233 L234	G208-I212 PolarHBondContact O-N 3.46Å; Y209-I212 PolarHBondContact O-N 3.32Å; I212-R223 PolarHBondContact O-N 2.9Å; I212-I225 HydrophobicContact CG1-CD1 4.47Å; I212-I230 HydrophobicContact CD1-CG1 4.43Å; I212-I230 HydrophobicContact CD1-CG2 4.32Å; I212-I230 HydrophobicContact CG1-CG1 4.32Å; I212-I230 HydrophobicContact CG2-CD1 4.21Å; I212-I230 HydrophobicContact CG2-CG1 4.4Å; I212-I230 HydrophobicContact CG2-CG2 4.47Å; I212-Y233 HydrophobicContact CD1-CD1 3.64Å; I212-Y233 HydrophobicContact CD1-CE1 3.95Å; I212-L234 HydrophobicContact CD1-CD1 3.82Å
213	F	93.9	Very high	92.6	Very high	29 Å²	29	65.6 Å²	65.6	13%	0.127	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	150.3	-175.8	-69.9	-89.6	0	0	0	111.5	E148 N151 Y209 S221 K222	E148-F213 WeakPolarHBondContact CG-O 3.35Å; N151-F213 HydrophobicContact CB-CB 4.26Å; N151-F213 HydrophobicContact CB-CD2 3.92Å; N151-F213 HydrophobicContact CB-CG 4.12Å; Y209-F213 HydrophobicContact CD1-CD2 4.01Å; Y209-F213 AromaticContact CD1-CE2 3.7Å; Y209-F213 HydrophobicContact CD1-CE2 3.7Å; Y209-F213 HydrophobicContact CE1-CE2 4.17Å; Y209-F213 PolarHBondContact O-N 3.01Å; F213-S221 WeakPolarHBondContact CA-O 3.45Å; F213-K222 HydrophobicContact CD1-CG 3.95Å; F213-K222 HydrophobicContact CE1-CD 4.3Å; F213-K222 HydrophobicContact CE1-CG 3.46Å; F213-K222 VanDerWaalsContact CE1-CG 3.46Å; F213-K222 HydrophobicContact CZ-CD 4.43Å; F213-K222 HydrophobicContact CZ-CG 3.94Å
214	I	94.2	Very high	92.2	Very high	61 Å²	61	72.3 Å²	72.3	31%	0.313	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	142.5	176.8	-169.4	164.5	0	0	0	110.8	S221 R223	I214-S221 PolarHBondContact N-O 3.12Å; I214-S221 PolarHBondContact O-N 3.1Å; I214-R223 HydrophobicContact CB-CG 3.98Å; I214-R223 HydrophobicContact CG2-CG 3.8Å
215	T	92.5	Very high	91.8	Very high	28 Å²	28	67.9 Å²	67.9	17%	0.172	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	115.9	167.8	-53.5	0	0	0	0	109.5	L142 G145 C147 E148 T219	L142-T215 HydrophobicContact CB-CG2 4.14Å; G145-T215 PolarHBondContact N-OG1 3.38Å; C147-T215 WeakPolarHBondContact CB-OG1 3.5Å; C147-T215 PolarHBondContact N-OG1 3.47Å; E148-T215 PolarHBondContact OE1-N 2.99Å; E148-T215 PolarHBondContact OE2-N 2.92Å; E148-T215 PolarHBondContact OE2-OG1 2.94Å; T215-T219 WeakPolarHBondContact CA-O 3.39Å
216	D	87.7	Confident	91.5	Very high	83 Å²	83	69 Å²	69	44%	0.444	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.4	177.6	-174.4	17.4	0	0	0	110.2	N218 T219	D216-N218 PolarHBondContact O-N 3.35Å; D216-N218 VanDerWaalsContact O-N 3.13Å; D216-T219 PolarHBondContact N-O 3.28Å; D216-T219 CarbonylContact O-C 3.57Å; D216-T219 VanDerWaalsContact O-CA 3.3Å; D216-T219 WeakPolarHBondContact O-CA 3.5Å; D216-T219 WeakPolarHBondContact O-CB 3.41Å; D216-T219 PolarHBondContact O-N 3.21Å; D216-T219 PolarHBondContact O-OG1 2.66Å
217	I	83.7	Confident	91.1	Very high	155 Å²	155	73.8 Å²	73.8	80%	0.795	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	28	67.4	-179.8	-48.7	167.5	0	0	0	113.8	T219	I217-T219 PolarHBondContact O-N 3.32Å
218	N	81.6	Confident	90.8	Very high	92 Å²	92	76.4 Å²	76.4	49%	0.492	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	24.4	-178	-63.9	-3.4	0	0	0	115.8	D216	D216-N218 PolarHBondContact O-N 3.35Å; D216-N218 VanDerWaalsContact O-N 3.13Å
219	T	86.4	Confident	90.6	Very high	69 Å²	69	80.3 Å²	80.3	42%	0.423	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	156.1	174	71.3	0	0	0	0	110.5	L142 T215 D216 I217	L142-T219 VanDerWaalsContact CD1-C 3.46Å; T215-T219 WeakPolarHBondContact CA-O 3.39Å; D216-T219 PolarHBondContact N-O 3.28Å; D216-T219 CarbonylContact O-C 3.57Å; D216-T219 VanDerWaalsContact O-CA 3.3Å; D216-T219 WeakPolarHBondContact O-CA 3.5Å; D216-T219 WeakPolarHBondContact O-CB 3.41Å; D216-T219 PolarHBondContact O-N 3.21Å; D216-T219 PolarHBondContact O-OG1 2.66Å; I217-T219 PolarHBondContact O-N 3.32Å
220	C	90	Very high	90.4	Very high	57 Å²	57	80.7 Å²	80.7	39%	0.385	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	100.9	178.3	-177.3	0	0	0	0	108.3	L142 C147 N151	L142-C220 HydrophobicContact CD1-CB 3.95Å; C147-C220 HydrophobicContact CB-CB 3.69Å; C147-C220 WeakPolarHBondContact CB-SG 3.34Å; C147-C220 WeakPolarHBondContact SG-CA 3.5Å; C147-C220 WeakPolarHBondContact SG-CB 3.48Å; C147-C220 CovalentContact SG-SG 2.03Å; C147-C220 PolarHBondContact SG-SG 2.61Å; N151-C220 PolarHBondContact ND2-SG 3.25Å; N151-C220 VanDerWaalsContact ND2-SG 3.35Å
221	S	90.1	Very high	90.1	Very high	43 Å²	43	82 Å²	82	30%	0.301	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	147.6	-171.5	-68.9	0	0	0	0	111.3	F213 I214	F213-S221 WeakPolarHBondContact CA-O 3.45Å; I214-S221 PolarHBondContact N-O 3.12Å; I214-S221 PolarHBondContact O-N 3.1Å
222	K	90.5	Very high	90.1	Very high	145 Å²	145	78.8 Å²	78.8	63%	0.63	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	134.2	168.8	-69.1	178.6	-177.1	175.9	0	108.8	F213	F213-K222 HydrophobicContact CD1-CG 3.95Å; F213-K222 HydrophobicContact CE1-CD 4.3Å; F213-K222 HydrophobicContact CE1-CG 3.46Å; F213-K222 VanDerWaalsContact CE1-CG 3.46Å; F213-K222 HydrophobicContact CZ-CD 4.43Å; F213-K222 HydrophobicContact CZ-CG 3.94Å
223	R	91.6	Very high	90.1	Very high	83 Å²	83	81.2 Å²	81.2	31%	0.313	43%	0.427	S	S	.	.			trans	-68.2	152	174.4	-65	-165.6	-174.8	143.4	0.2	111.1	A210 Y211 I212 I214 I225	A210-R223 PolarHBondContact O-NH1 3.05Å; Y211-R223 VanDerWaalsContact O-CD 3.27Å; Y211-R223 WeakPolarHBondContact O-CD 3.44Å; Y211-R223 PolarHBondContact O-NH1 2.88Å; I212-R223 PolarHBondContact O-N 2.9Å; I214-R223 HydrophobicContact CB-CG 3.98Å; I214-R223 HydrophobicContact CG2-CG 3.8Å; R223-I225 HydrophobicContact CB-CD1 3.78Å; R223-I225 HydrophobicContact CB-CG1 4.01Å; R223-I225 PolarHBondContact O-N 3.25Å
224	H	89.7	Confident	90	Very high	205 Å²	205	81 Å²	81	95%	0.949	43%	0.427	S	S	*	.			trans	-73.1	75.7	172.3	-67.4	-83.3	0	0	0	111.2
225	I	90.3	Very high	89.8	Confident	31 Å²	31	79.7 Å²	79.7	16%	0.159	42%	0.424	C	S	.	.			trans	-108.2	155.9	175.3	-61.4	155.8	0	0	0	108.3	Y211 I212 R223 P227 I230	Y211-I225 HydrophobicContact CD1-CD1 3.63Å; Y211-I225 HydrophobicContact CE1-CD1 3.47Å; Y211-I225 VanDerWaalsContact CE1-CD1 3.47Å; Y211-I225 HydrophobicContact CE1-CG1 3.93Å; Y211-I225 HydrophobicContact CE1-CG2 4.26Å; Y211-I225 WeakPolarHBondContact O-CD1 3.26Å; I212-I225 HydrophobicContact CG1-CD1 4.47Å; R223-I225 HydrophobicContact CB-CD1 3.78Å; R223-I225 HydrophobicContact CB-CG1 4.01Å; R223-I225 PolarHBondContact O-N 3.25Å; I225-P227 WeakPolarHBondContact O-CD 3.3Å; I225-P227 VanDerWaalsContact O-N 3.12Å; I225-I230 HydrophobicContact CB-CD1 4.06Å; I225-I230 HydrophobicContact CB-CG1 4.29Å; I225-I230 HydrophobicContact CG2-CG1 4.2Å
226	N	91.9	Very high	89.9	Confident	87 Å²	87	81.7 Å²	81.7	47%	0.465	44%	0.438	S	S	.	.			trans	-52.1	120	174.3	-176	-24	0	0	0	110.4	L228 I229 I230	N226-L228 PolarHBondContact O-N 3.27Å; N226-L228 VanDerWaalsContact O-N 3.16Å; N226-L228 VanDerWaalsContact OD1-CB 3.25Å; N226-L228 WeakPolarHBondContact OD1-CB 3.26Å; N226-L228 PolarHBondContact OD1-N 3.04Å; N226-I229 HydrophobicContact CB-CD1 3.96Å; N226-I229 HydrophobicContact CB-CG1 4.06Å; N226-I229 PolarHBondContact O-N 3.39Å; N226-I230 PolarHBondContact O-N 2.92Å
227	P	88.4	Confident	90.3	Very high	100 Å²	100	78.3 Å²	78.3	65%	0.649	42%	0.42	S	S	*	.	H	α-helix	trans	-60.2	-28.7	-176.6	24	-34.6	0	0	0	112.6	I225 I229 I230 S231	I225-P227 WeakPolarHBondContact O-CD 3.3Å; I225-P227 VanDerWaalsContact O-N 3.12Å; P227-I229 PolarHBondContact O-N 2.5Å; P227-I230 PolarHBondContact O-N 2.73Å; P227-S231 VanDerWaalsContact O-CB 3.26Å; P227-S231 WeakPolarHBondContact O-CB 3.49Å; P227-S231 PolarHBondContact O-N 3.28Å
228	L	89.9	Confident	90.7	Very high	114 Å²	114	72.2 Å²	72.2	60%	0.597	39%	0.388	S	S	*	.	H	α-helix	trans	-62.4	-42.4	175.4	-176.2	65.3	0	0	0	111.7	N226 S231 V232	N226-L228 PolarHBondContact O-N 3.27Å; N226-L228 VanDerWaalsContact O-N 3.16Å; N226-L228 VanDerWaalsContact OD1-CB 3.25Å; N226-L228 WeakPolarHBondContact OD1-CB 3.26Å; N226-L228 PolarHBondContact OD1-N 3.04Å; L228-S231 PolarHBondContact O-N 3.21Å; L228-V232 HydrophobicContact CD1-CG2 4.2Å; L228-V232 HydrophobicContact CG-CG2 4.42Å; L228-V232 WeakPolarHBondContact O-CB 3.32Å; L228-V232 VanDerWaalsContact O-CG2 3.22Å; L228-V232 WeakPolarHBondContact O-CG2 3.34Å; L228-V232 PolarHBondContact O-N 3.04Å
229	I	91.7	Very high	91.3	Very high	105 Å²	105	70 Å²	70	54%	0.538	38%	0.383	S	S	.	.	H	α-helix	trans	-66.2	-44.1	-180	-61.7	176.5	0	0	0	110.1	N226 P227 Y233	N226-I229 HydrophobicContact CB-CD1 3.96Å; N226-I229 HydrophobicContact CB-CG1 4.06Å; N226-I229 PolarHBondContact O-N 3.39Å; P227-I229 PolarHBondContact O-N 2.5Å; I229-Y233 WeakPolarHBondContact O-CB 3.19Å; I229-Y233 PolarHBondContact O-N 3.13Å
230	I	91.6	Very high	91.8	Very high	30 Å²	30	69.6 Å²	69.6	15%	0.154	38%	0.38	C	S	.	.	H	α-helix	trans	-60.2	-51	176.2	-63.6	174	0	0	0	109.9	I212 I225 N226 P227 V232 Y233 L234	I212-I230 HydrophobicContact CD1-CG1 4.43Å; I212-I230 HydrophobicContact CD1-CG2 4.32Å; I212-I230 HydrophobicContact CG1-CG1 4.32Å; I212-I230 HydrophobicContact CG2-CD1 4.21Å; I212-I230 HydrophobicContact CG2-CG1 4.4Å; I212-I230 HydrophobicContact CG2-CG2 4.47Å; I225-I230 HydrophobicContact CB-CD1 4.06Å; I225-I230 HydrophobicContact CB-CG1 4.29Å; I225-I230 HydrophobicContact CG2-CG1 4.2Å; N226-I230 PolarHBondContact O-N 2.92Å; P227-I230 PolarHBondContact O-N 2.73Å; I230-V232 PolarHBondContact O-N 2.91Å; I230-Y233 PolarHBondContact O-N 3.03Å; I230-L234 HydrophobicContact CG2-CD1 4.24Å; I230-L234 HydrophobicContact CG2-CD2 4.17Å; I230-L234 WeakPolarHBondContact O-CB 3.43Å; I230-L234 PolarHBondContact O-N 3.49Å
231	S	89.6	Confident	92.1	Very high	52 Å²	52	67.7 Å²	67.7	36%	0.364	37%	0.365	S	S	.	.	H	α-helix	trans	-60	-47.2	-178.2	175.2	0	0	0	0	111.6	P227 L228 Y233 S235	P227-S231 VanDerWaalsContact O-CB 3.26Å; P227-S231 WeakPolarHBondContact O-CB 3.49Å; P227-S231 PolarHBondContact O-N 3.28Å; L228-S231 PolarHBondContact O-N 3.21Å; S231-Y233 PolarHBondContact O-N 3.24Å; S231-S235 WeakPolarHBondContact O-CB 3.31Å; S231-S235 PolarHBondContact O-N 3.4Å; S231-S235 PolarHBondContact O-OG 3.32Å
232	V	92	Very high	92.3	Very high	79 Å²	79	66.5 Å²	66.5	48%	0.479	36%	0.357	S	S	.	.	H	α-helix	trans	-62.7	-43.8	178.4	170.4	0	0	0	0	111.5	L228 I230 C236	L228-V232 HydrophobicContact CD1-CG2 4.2Å; L228-V232 HydrophobicContact CG-CG2 4.42Å; L228-V232 WeakPolarHBondContact O-CB 3.32Å; L228-V232 VanDerWaalsContact O-CG2 3.22Å; L228-V232 WeakPolarHBondContact O-CG2 3.34Å; L228-V232 PolarHBondContact O-N 3.04Å; I230-V232 PolarHBondContact O-N 2.91Å; V232-C236 WeakPolarHBondContact O-CB 3.27Å; V232-C236 PolarHBondContact O-N 3.37Å; V232-C236 PolarHBondContact O-SG 3.05Å
233	Y	94.4	Very high	92.5	Very high	57 Å²	57	60.4 Å²	60.4	22%	0.224	34%	0.336	C	S	.	.	H	α-helix	trans	-63.3	-51.6	178.8	171.6	-112.6	0	0	0	111.9	V205 G208 Y209 I212 I229 I230 S231 S235 C236 L237	V205-Y233 PolarHBondContact O-OH 3.01Å; G208-Y233 WeakPolarHBondContact CA-OH 3.3Å; G208-Y233 PolarHBondContact N-OH 3.22Å; Y209-Y233 HydrophobicContact CD2-CE1 4.13Å; Y209-Y233 HydrophobicContact CE2-CE1 4.25Å; I212-Y233 HydrophobicContact CD1-CD1 3.64Å; I212-Y233 HydrophobicContact CD1-CE1 3.95Å; I229-Y233 WeakPolarHBondContact O-CB 3.19Å; I229-Y233 PolarHBondContact O-N 3.13Å; I230-Y233 PolarHBondContact O-N 3.03Å; S231-Y233 PolarHBondContact O-N 3.24Å; Y233-S235 PolarHBondContact O-N 3.1Å; Y233-C236 PolarHBondContact O-N 2.73Å; Y233-L237 HydrophobicContact CD1-CD1 4.43Å; Y233-L237 HydrophobicContact CE1-CD1 3.82Å; Y233-L237 HydrophobicContact CE2-CD1 3.97Å; Y233-L237 HydrophobicContact CE2-CD2 4.37Å; Y233-L237 HydrophobicContact CE2-CG 4.21Å; Y233-L237 WeakPolarHBondContact O-CG 3.46Å; Y233-L237 PolarHBondContact O-N 3.42Å; Y233-L237 VanDerWaalsContact O-N 3.11Å
234	L	92.2	Very high	92.7	Very high	25 Å²	25	60.9 Å²	60.9	13%	0.131	34%	0.343	C	S	.	.	H	α-helix	trans	-61.6	-43.7	178.2	-91.4	54.9	0	0	0	111.4	Y209 I212 I230 C236 L237 E238	Y209-L234 HydrophobicContact CE1-CD1 4.23Å; I212-L234 HydrophobicContact CD1-CD1 3.82Å; I230-L234 HydrophobicContact CG2-CD1 4.24Å; I230-L234 HydrophobicContact CG2-CD2 4.17Å; I230-L234 WeakPolarHBondContact O-CB 3.43Å; I230-L234 PolarHBondContact O-N 3.49Å; L234-C236 VanDerWaalsContact C-N 3.33Å; L234-C236 PolarHBondContact O-N 2.97Å; L234-L237 PolarHBondContact O-N 3.22Å; L234-E238 PolarHBondContact O-N 3.03Å
235	S	91.2	Very high	93.1	Very high	33 Å²	33	51.5 Å²	51.5	23%	0.231	30%	0.301	C	S	.	.	H	α-helix	trans	-62	-40.4	178	-61	0	0	0	0	112	S231 Y233 E238 A239 Q462	S231-S235 WeakPolarHBondContact O-CB 3.31Å; S231-S235 PolarHBondContact O-N 3.4Å; S231-S235 PolarHBondContact O-OG 3.32Å; Y233-S235 PolarHBondContact O-N 3.1Å; S235-E238 PolarHBondContact O-N 3Å; S235-A239 WeakPolarHBondContact O-CB 3.31Å; S235-A239 PolarHBondContact O-N 2.7Å; S235-Q462 PolarHBondContact OG-OE1 3.03Å
236	C	93.9	Very high	93.5	Very high	71 Å²	71	50.1 Å²	50.1	48%	0.48	29%	0.293	S	S	.	.	H	α-helix	trans	-62.5	-43.6	175.2	-75.4	0	0	0	0	111.9	V232 Y233 L234 A239 V240	V232-C236 WeakPolarHBondContact O-CB 3.27Å; V232-C236 PolarHBondContact O-N 3.37Å; V232-C236 PolarHBondContact O-SG 3.05Å; Y233-C236 PolarHBondContact O-N 2.73Å; L234-C236 VanDerWaalsContact C-N 3.33Å; L234-C236 PolarHBondContact O-N 2.97Å; C236-A239 PolarHBondContact O-N 3.45Å; C236-V240 VanDerWaalsContact O-CG2 3.27Å; C236-V240 WeakPolarHBondContact O-CG2 3.37Å; C236-V240 PolarHBondContact O-N 3.24Å
237	L	95.2	Very high	93.7	Very high	11 Å²	11	50.6 Å²	50.6	6%	0.058	30%	0.296	C	S	.	.	H	α-helix	trans	-62.1	-48.4	177.6	-67.3	-178.4	0	0	0	111.5	Y159 V205 Y209 Y233 L234 V240 F241	Y159-L237 HydrophobicContact CE2-CB 4.15Å; Y159-L237 HydrophobicContact CE2-CD1 4.2Å; V205-L237 HydrophobicContact CG1-CD2 3.21Å; Y209-L237 HydrophobicContact CD2-CD1 4.4Å; Y209-L237 HydrophobicContact CE2-CD1 3.6Å; Y233-L237 HydrophobicContact CD1-CD1 4.43Å; Y233-L237 HydrophobicContact CE1-CD1 3.82Å; Y233-L237 HydrophobicContact CE2-CD1 3.97Å; Y233-L237 HydrophobicContact CE2-CD2 4.37Å; Y233-L237 HydrophobicContact CE2-CG 4.21Å; Y233-L237 WeakPolarHBondContact O-CG 3.46Å; Y233-L237 PolarHBondContact O-N 3.42Å; Y233-L237 VanDerWaalsContact O-N 3.11Å; L234-L237 PolarHBondContact O-N 3.22Å; L237-V240 PolarHBondContact O-N 2.84Å; L237-F241 HydrophobicContact CD2-CE2 4.25Å; L237-F241 WeakPolarHBondContact O-CD2 3.42Å; L237-F241 PolarHBondContact O-N 2.95Å
238	E	92.9	Very high	94.2	Very high	27 Å²	27	49.1 Å²	49.1	13%	0.126	28%	0.282	C	S	.	.	H	α-helix	trans	-64.8	-40.6	178.7	-70.2	-55.4	139.4	0	0	112.1	Y159 L234 S235 V240 S242 G243 Y458	Y159-E238 PolarHBondContact OH-OE1 2.85Å; L234-E238 PolarHBondContact O-N 3.03Å; S235-E238 PolarHBondContact O-N 3Å; E238-V240 VanDerWaalsContact C-N 3.28Å; E238-V240 PolarHBondContact O-N 2.74Å; E238-S242 VanDerWaalsContact O-CA 3.32Å; E238-S242 WeakPolarHBondContact O-CA 3.48Å; E238-S242 WeakPolarHBondContact O-CB 3.2Å; E238-S242 PolarHBondContact O-N 3.26Å; E238-S242 PolarHBondContact OE2-OG 2.93Å; E238-G243 PolarHBondContact O-N 2.97Å; E238-Y458 HydrophobicContact CB-CD1 4.27Å; E238-Y458 HydrophobicContact CB-CE1 4.3Å; E238-Y458 HydrophobicContact CG-CD1 3.79Å; E238-Y458 HydrophobicContact CG-CE1 3.6Å; E238-Y458 HydrophobicContact CG-CG 4.48Å
239	A	93.7	Very high	94.6	Very high	47 Å²	47	43.8 Å²	43.8	39%	0.388	25%	0.254	S	S	.	.	I	π-helix	trans	-59.6	-39.9	174.1	0	0	0	0	0	112	S235 C236 G243 I244	S235-A239 WeakPolarHBondContact O-CB 3.31Å; S235-A239 PolarHBondContact O-N 2.7Å; C236-A239 PolarHBondContact O-N 3.45Å; A239-G243 CarbonylContact O-C 3.52Å; A239-G243 VanDerWaalsContact O-CA 3.22Å; A239-G243 WeakPolarHBondContact O-CA 3.49Å; A239-G243 PolarHBondContact O-N 3.19Å; A239-I244 PolarHBondContact O-N 3.21Å
240	V	96.4	Very high	94.9	Very high	59 Å²	59	41.7 Å²	41.7	36%	0.358	24%	0.244	S	C	.	.	I	π-helix	trans	-72.1	-56.4	178.6	171.4	0	0	0	0	111.5	C236 L237 E238 I244 V245	C236-V240 VanDerWaalsContact O-CG2 3.27Å; C236-V240 WeakPolarHBondContact O-CG2 3.37Å; C236-V240 PolarHBondContact O-N 3.24Å; L237-V240 PolarHBondContact O-N 2.84Å; E238-V240 VanDerWaalsContact C-N 3.28Å; E238-V240 PolarHBondContact O-N 2.74Å; V240-I244 HydrophobicContact CG2-CD1 4.2Å; V240-I244 WeakPolarHBondContact O-CB 3.41Å; V240-I244 PolarHBondContact O-N 3.45Å; V240-V245 HydrophobicContact CG1-CG2 4.47Å; V240-V245 WeakPolarHBondContact O-CG2 3.19Å; V240-V245 PolarHBondContact O-N 3.03Å
241	F	96.7	Very high	95.2	Very high	17 Å²	17	44.7 Å²	44.7	8%	0.075	26%	0.259	C	S	.	.	I	π-helix	trans	-85.5	-27.7	-168.7	-70.8	-72	0	0	0	114.2	Y159 L163 T202 V205 L237 V245 P246	Y159-F241 HydrophobicContact CD1-CB 3.38Å; Y159-F241 HydrophobicContact CD1-CD1 4.35Å; Y159-F241 AromaticContact CD1-CD2 3.9Å; Y159-F241 HydrophobicContact CD1-CD2 3.9Å; Y159-F241 AromaticContact CD1-CG 3.63Å; Y159-F241 HydrophobicContact CD1-CG 3.63Å; Y159-F241 AromaticContact CD2-CD2 3.52Å; Y159-F241 HydrophobicContact CD2-CD2 3.52Å; Y159-F241 AromaticContact CD2-CE2 3.75Å; Y159-F241 HydrophobicContact CD2-CE2 3.75Å; Y159-F241 HydrophobicContact CD2-CG 4Å; Y159-F241 HydrophobicContact CD2-CZ 4.39Å; Y159-F241 HydrophobicContact CE1-CB 3.79Å; Y159-F241 HydrophobicContact CE1-CD2 4.23Å; Y159-F241 HydrophobicContact CE1-CG 4.24Å; Y159-F241 AromaticContact CE2-CD2 3.88Å; Y159-F241 HydrophobicContact CE2-CD2 3.88Å; Y159-F241 HydrophobicContact CE2-CE2 4.3Å; Y159-F241 HydrophobicContact CG-CB 3.84Å; Y159-F241 AromaticContact CG-CD1 3.97Å; Y159-F241 HydrophobicContact CG-CD1 3.97Å; Y159-F241 AromaticContact CG-CD2 3.54Å; Y159-F241 HydrophobicContact CG-CD2 3.54Å; Y159-F241 HydrophobicContact CG-CE1 4.41Å; Y159-F241 HydrophobicContact CG-CE2 4.04Å; Y159-F241 AromaticContact CG-CG 3.5Å; Y159-F241 HydrophobicContact CG-CG 3.5Å; Y159-F241 VanDerWaalsContact CG-CG 3.5Å; Y159-F241 HydrophobicContact CG-CZ 4.45Å; L163-F241 HydrophobicContact CD1-CE1 3.85Å; L163-F241 HydrophobicContact CG-CE1 4.19Å; T202-F241 HydrophobicContact CG2-CE1 4.32Å; T202-F241 HydrophobicContact CG2-CZ 4.42Å; V205-F241 HydrophobicContact CG1-CE2 4.08Å; L237-F241 HydrophobicContact CD2-CE2 4.25Å; L237-F241 WeakPolarHBondContact O-CD2 3.42Å; L237-F241 PolarHBondContact O-N 2.95Å; F241-V245 HydrophobicContact CD1-CG2 4.21Å; F241-P246 VanDerWaalsContact O-CD 3.24Å; F241-P246 WeakPolarHBondContact O-CD 3.38Å
242	S	94.2	Very high	95.6	Very high	18 Å²	18	43.9 Å²	43.9	13%	0.126	25%	0.249	C	C	.	.	I	π-helix	trans	-103.4	-11.8	179.1	-50.5	0	0	0	0	112.3	E238 L452	E238-S242 VanDerWaalsContact O-CA 3.32Å; E238-S242 WeakPolarHBondContact O-CA 3.48Å; E238-S242 WeakPolarHBondContact O-CB 3.2Å; E238-S242 PolarHBondContact O-N 3.26Å; E238-S242 PolarHBondContact OE2-OG 2.93Å; S242-L452 WeakPolarHBondContact O-CD2 3.47Å
243	G	94.4	Very high	95.9	Very high	18 Å²	18	40.1 Å²	40.1	19%	0.186	23%	0.227	C	C	.	.	I	π-helix	trans	-112.9	-72.7	174.3	0	0	0	0	0	113.9	E238 A239 P246 L247	E238-G243 PolarHBondContact O-N 2.97Å; A239-G243 CarbonylContact O-C 3.52Å; A239-G243 VanDerWaalsContact O-CA 3.22Å; A239-G243 WeakPolarHBondContact O-CA 3.49Å; A239-G243 PolarHBondContact O-N 3.19Å; G243-P246 WeakPolarHBondContact O-CD 3.21Å; G243-L247 VanDerWaalsContact O-CG 3.29Å; G243-L247 WeakPolarHBondContact O-CG 3.4Å; G243-L247 PolarHBondContact O-N 3.34Å
244	I	96.9	Very high	96.1	Very high	92 Å²	92	40.7 Å²	40.7	47%	0.472	24%	0.238	S	C	.	.	I	π-helix	trans	-62.3	-48.5	-171.6	-63.3	172.6	0	0	0	111.9	A239 V240 L247 L248	A239-I244 PolarHBondContact O-N 3.21Å; V240-I244 HydrophobicContact CG2-CD1 4.2Å; V240-I244 WeakPolarHBondContact O-CB 3.41Å; V240-I244 PolarHBondContact O-N 3.45Å; I244-L247 PolarHBondContact O-N 3.27Å; I244-L248 HydrophobicContact CG2-CD1 4.19Å; I244-L248 HydrophobicContact CG2-CG 4.4Å; I244-L248 WeakPolarHBondContact O-CG 3.3Å; I244-L248 PolarHBondContact O-N 2.93Å
245	V	98.3	Very high	96.4	Very high	9 Å²	9	41.8 Å²	41.8	6%	0.055	24%	0.244	C	C	.	.	H	α-helix	trans	-61.2	-50.7	-177.5	171.2	0	0	0	0	111.5	P162 L163 L166 V240 F241 L247 L248 V249	P162-V245 HydrophobicContact CB-CG1 3.92Å; P162-V245 HydrophobicContact CG-CG1 4.43Å; L163-V245 HydrophobicContact CD2-CG1 4.09Å; L163-V245 HydrophobicContact CD2-CG2 3.97Å; L166-V245 HydrophobicContact CD2-CG1 4.41Å; V240-V245 HydrophobicContact CG1-CG2 4.47Å; V240-V245 WeakPolarHBondContact O-CG2 3.19Å; V240-V245 PolarHBondContact O-N 3.03Å; F241-V245 HydrophobicContact CD1-CG2 4.21Å; V245-L247 VanDerWaalsContact C-N 3.3Å; V245-L247 PolarHBondContact O-N 3.48Å; V245-L248 WeakPolarHBondContact O-CB 3.27Å; V245-L248 PolarHBondContact O-N 3.4Å; V245-L248 VanDerWaalsContact O-N 3.08Å; V245-V249 WeakPolarHBondContact O-CG2 3.17Å; V245-V249 PolarHBondContact O-N 3.07Å
246	P	97.3	Very high	96.7	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-57.2	-38.5	174.2	-29.3	36.9	0	0	0	113.9	F241 G243 L248 V249 L250 I448 T451 L452	F241-P246 VanDerWaalsContact O-CD 3.24Å; F241-P246 WeakPolarHBondContact O-CD 3.38Å; G243-P246 WeakPolarHBondContact O-CD 3.21Å; P246-L248 VanDerWaalsContact C-N 3.34Å; P246-L248 PolarHBondContact O-N 2.79Å; P246-V249 PolarHBondContact O-N 2.72Å; P246-L250 WeakPolarHBondContact O-CB 3.45Å; P246-L250 PolarHBondContact O-N 3.32Å; P246-I448 HydrophobicContact CB-CG2 4.5Å; P246-T451 VanDerWaalsContact CG-OG1 3.27Å; P246-T451 WeakPolarHBondContact CG-OG1 3.43Å; P246-L452 HydrophobicContact CB-CD1 4.23Å; P246-L452 HydrophobicContact CB-CD2 4.21Å; P246-L452 HydrophobicContact CB-CG 3.79Å; P246-L452 HydrophobicContact CG-CG 4.42Å
247	L	96.8	Very high	96.8	Very high	98 Å²	98	40.6 Å²	40.6	51%	0.513	23%	0.229	S	C	.	.	H	α-helix	trans	-64.8	-36.7	174.8	-70.9	173.5	0	0	0	112.4	G243 I244 V245 L250 L251	G243-L247 VanDerWaalsContact O-CG 3.29Å; G243-L247 WeakPolarHBondContact O-CG 3.4Å; G243-L247 PolarHBondContact O-N 3.34Å; I244-L247 PolarHBondContact O-N 3.27Å; V245-L247 VanDerWaalsContact C-N 3.3Å; V245-L247 PolarHBondContact O-N 3.48Å; L247-L250 WeakPolarHBondContact O-CB 3.44Å; L247-L250 PolarHBondContact O-N 3.33Å; L247-L251 WeakPolarHBondContact O-CB 3.14Å; L247-L251 PolarHBondContact O-N 3.45Å
248	L	98.4	Very high	96.9	Very high	68 Å²	68	46.7 Å²	46.7	36%	0.356	26%	0.255	S	S	.	.	H	α-helix	trans	-66.3	-41.7	171.9	-68.7	176.4	0	0	0	111.7	L166 I244 V245 P246 L250 L251 F252	L166-L248 HydrophobicContact CD1-CB 3.88Å; L166-L248 HydrophobicContact CD2-CB 4.35Å; L166-L248 HydrophobicContact CD2-CD1 4.38Å; I244-L248 HydrophobicContact CG2-CD1 4.19Å; I244-L248 HydrophobicContact CG2-CG 4.4Å; I244-L248 WeakPolarHBondContact O-CG 3.3Å; I244-L248 PolarHBondContact O-N 2.93Å; V245-L248 WeakPolarHBondContact O-CB 3.27Å; V245-L248 PolarHBondContact O-N 3.4Å; V245-L248 VanDerWaalsContact O-N 3.08Å; P246-L248 VanDerWaalsContact C-N 3.34Å; P246-L248 PolarHBondContact O-N 2.79Å; L248-L250 VanDerWaalsContact C-N 3.28Å; L248-L250 PolarHBondContact O-N 2.87Å; L248-L251 HydrophobicContact CD2-CD2 4.42Å; L248-L251 WeakPolarHBondContact O-CB 3.22Å; L248-L251 PolarHBondContact O-N 3.49Å; L248-F252 VanDerWaalsContact O-CD2 3.27Å; L248-F252 WeakPolarHBondContact O-CD2 3.07Å; L248-F252 PolarHBondContact O-N 2.87Å
249	V	98.5	Very high	96.9	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.018	26%	0.259	C	S	.	.	H	α-helix	trans	-59.4	-43.8	173.9	-176.9	0	0	0	0	109.9	V165 L166 V245 P246 F252 N253 I448	V165-V249 HydrophobicContact CG1-CG1 3.78Å; V165-V249 HydrophobicContact CG1-CG2 4.32Å; L166-V249 HydrophobicContact CB-CG2 3.8Å; L166-V249 HydrophobicContact CD1-CG2 3.98Å; L166-V249 HydrophobicContact CG-CG2 4.46Å; V245-V249 WeakPolarHBondContact O-CG2 3.17Å; V245-V249 PolarHBondContact O-N 3.07Å; P246-V249 PolarHBondContact O-N 2.72Å; V249-F252 PolarHBondContact O-N 3.43Å; V249-N253 WeakPolarHBondContact O-CB 3.4Å; V249-N253 VanDerWaalsContact O-CG 3.28Å; V249-N253 PolarHBondContact O-N 2.86Å; V249-I448 HydrophobicContact CB-CD1 3.97Å; V249-I448 HydrophobicContact CB-CG1 3.91Å; V249-I448 HydrophobicContact CG1-CD1 3.68Å; V249-I448 HydrophobicContact CG1-CG1 3.87Å
250	L	98	Very high	96.9	Very high	61 Å²	61	47.7 Å²	47.7	32%	0.319	25%	0.253	S	S	.	.	H	α-helix	trans	-61.4	-47.5	177.2	179.5	61.9	0	0	0	111.4	P246 L247 L248 F252 N253 C254 F445 I448	P246-L250 WeakPolarHBondContact O-CB 3.45Å; P246-L250 PolarHBondContact O-N 3.32Å; L247-L250 WeakPolarHBondContact O-CB 3.44Å; L247-L250 PolarHBondContact O-N 3.33Å; L248-L250 VanDerWaalsContact C-N 3.28Å; L248-L250 PolarHBondContact O-N 2.87Å; L250-F252 PolarHBondContact O-N 3.3Å; L250-N253 PolarHBondContact O-N 3.25Å; L250-C254 PolarHBondContact O-N 3.39Å; L250-C254 PolarHBondContact O-SG 3.41Å; L250-C254 VanDerWaalsContact O-SG 3.33Å; L250-F445 HydrophobicContact CD1-CE1 3.8Å; L250-I448 HydrophobicContact CB-CD1 3.91Å; L250-I448 HydrophobicContact CD1-CD1 4.39Å
251	L	98.3	Very high	96.8	Very high	92 Å²	92	46.9 Å²	46.9	48%	0.482	25%	0.253	S	S	.	.	H	α-helix	trans	-55	-51.7	176.2	176.1	65.8	0	0	0	111	L247 L248 N253 C254 L255	L247-L251 WeakPolarHBondContact O-CB 3.14Å; L247-L251 PolarHBondContact O-N 3.45Å; L248-L251 HydrophobicContact CD2-CD2 4.42Å; L248-L251 WeakPolarHBondContact O-CB 3.22Å; L248-L251 PolarHBondContact O-N 3.49Å; L251-N253 PolarHBondContact O-N 3.37Å; L251-C254 WeakPolarHBondContact O-CB 3.41Å; L251-C254 PolarHBondContact O-N 2.95Å; L251-L255 HydrophobicContact CG-CD1 4.47Å; L251-L255 WeakPolarHBondContact O-CG 3.29Å; L251-L255 PolarHBondContact O-N 2.87Å
252	F	98.5	Very high	96.6	Very high	35 Å²	35	52.7 Å²	52.7	15%	0.154	28%	0.278	C	S	.	.	H	α-helix	trans	-68.1	-34.4	179.8	-78.7	-73.3	0	0	0	112.9	L166 T169 I170 W173 L248 V249 L250 L255 V256	L166-F252 HydrophobicContact CD1-CD2 3.89Å; L166-F252 HydrophobicContact CD1-CE2 4.4Å; T169-F252 HydrophobicContact CG2-CB 3.66Å; I170-F252 HydrophobicContact CD1-CD2 4.1Å; I170-F252 HydrophobicContact CD1-CE2 3.72Å; I170-F252 HydrophobicContact CD1-CZ 4.07Å; I170-F252 HydrophobicContact CG1-CD1 3.97Å; I170-F252 HydrophobicContact CG1-CD2 3.57Å; I170-F252 HydrophobicContact CG1-CE1 3.96Å; I170-F252 HydrophobicContact CG1-CE2 3.56Å; I170-F252 HydrophobicContact CG1-CG 3.79Å; I170-F252 HydrophobicContact CG1-CZ 3.77Å; W173-F252 HydrophobicContact CB-CD1 4.28Å; W173-F252 AromaticContact CD2-CD1 3.99Å; W173-F252 HydrophobicContact CD2-CD1 3.99Å; W173-F252 HydrophobicContact CD2-CE1 4.03Å; W173-F252 AromaticContact CE3-CD1 3.88Å; W173-F252 HydrophobicContact CE3-CD1 3.88Å; W173-F252 AromaticContact CE3-CE1 3.52Å; W173-F252 HydrophobicContact CE3-CE1 3.52Å; W173-F252 HydrophobicContact CG-CD1 4.17Å; W173-F252 HydrophobicContact CH2-CE1 4.46Å; W173-F252 AromaticContact CZ3-CE1 3.78Å; W173-F252 HydrophobicContact CZ3-CE1 3.78Å; L248-F252 VanDerWaalsContact O-CD2 3.27Å; L248-F252 WeakPolarHBondContact O-CD2 3.07Å; L248-F252 PolarHBondContact O-N 2.87Å; V249-F252 PolarHBondContact O-N 3.43Å; L250-F252 PolarHBondContact O-N 3.3Å; F252-L255 HydrophobicContact CD1-CD1 4.06Å; F252-L255 HydrophobicContact CE1-CD1 4.33Å; F252-L255 PolarHBondContact O-N 2.93Å; F252-V256 VanDerWaalsContact O-CG2 3.3Å; F252-V256 WeakPolarHBondContact O-CG2 3.36Å; F252-V256 PolarHBondContact O-N 3.49Å
253	N	98	Very high	96.4	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-44.4	172	-79.7	-18.2	0	0	0	111.8	T169 V249 L250 L251 L255 V256 I257 L441 S444 F445 I448	T169-N253 WeakPolarHBondContact CG2-OD1 3.49Å; V249-N253 WeakPolarHBondContact O-CB 3.4Å; V249-N253 VanDerWaalsContact O-CG 3.28Å; V249-N253 PolarHBondContact O-N 2.86Å; L250-N253 PolarHBondContact O-N 3.25Å; L251-N253 PolarHBondContact O-N 3.37Å; N253-L255 VanDerWaalsContact C-N 3.32Å; N253-L255 PolarHBondContact O-N 3.04Å; N253-V256 WeakPolarHBondContact O-CB 3.19Å; N253-V256 PolarHBondContact O-N 3.46Å; N253-I257 VanDerWaalsContact O-CG1 3.31Å; N253-I257 WeakPolarHBondContact O-CG1 3.39Å; N253-I257 PolarHBondContact O-N 3.24Å; N253-L441 HydrophobicContact CB-CD2 3.96Å; N253-L441 WeakPolarHBondContact OD1-CD2 3.37Å; N253-S444 WeakPolarHBondContact ND2-CB 3.4Å; N253-F445 HydrophobicContact CB-CE1 4.35Å; N253-F445 HydrophobicContact CB-CE2 4.19Å; N253-F445 HydrophobicContact CB-CZ 3.85Å; N253-I448 WeakPolarHBondContact ND2-CD1 3.25Å
254	C	98.2	Very high	96.2	Very high	68 Å²	68	57.8 Å²	57.8	46%	0.459	30%	0.297	S	S	.	.	H	α-helix	trans	-59.8	-43.1	174.6	-71.9	0	0	0	0	111.3	L250 L251 I257 K258	L250-C254 PolarHBondContact O-N 3.39Å; L250-C254 PolarHBondContact O-SG 3.41Å; L250-C254 VanDerWaalsContact O-SG 3.33Å; L251-C254 WeakPolarHBondContact O-CB 3.41Å; L251-C254 PolarHBondContact O-N 2.95Å; C254-I257 PolarHBondContact O-N 3.45Å; C254-K258 WeakPolarHBondContact O-CB 3.32Å; C254-K258 PolarHBondContact O-N 2.61Å
255	L	98.1	Very high	95.9	Very high	49 Å²	49	58.8 Å²	58.8	26%	0.257	30%	0.299	S	S	.	.	H	α-helix	trans	-64.4	-41.6	175.5	-66.3	176	0	0	0	112.4	W173 L251 F252 N253 K258 E259	W173-L255 HydrophobicContact CG-CB 4.36Å; W173-L255 HydrophobicContact CZ2-CD1 4.34Å; L251-L255 HydrophobicContact CG-CD1 4.47Å; L251-L255 WeakPolarHBondContact O-CG 3.29Å; L251-L255 PolarHBondContact O-N 2.87Å; F252-L255 HydrophobicContact CD1-CD1 4.06Å; F252-L255 HydrophobicContact CE1-CD1 4.33Å; F252-L255 PolarHBondContact O-N 2.93Å; N253-L255 VanDerWaalsContact C-N 3.32Å; N253-L255 PolarHBondContact O-N 3.04Å; L255-K258 PolarHBondContact O-N 3.17Å; L255-E259 WeakPolarHBondContact O-CB 3.25Å; L255-E259 WeakPolarHBondContact O-CG 3.29Å; L255-E259 PolarHBondContact O-N 2.91Å
256	V	97.3	Very high	95.6	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.006	32%	0.315	C	S	.	.	H	α-helix	trans	-57.7	-49.6	173.9	166.7	0	0	0	0	110.2	W173 I176 F252 N253 E259 L260 T437 L441	W173-V256 HydrophobicContact CB-CG2 3.69Å; I176-V256 HydrophobicContact CD1-CB 4.49Å; I176-V256 HydrophobicContact CD1-CG1 3.81Å; I176-V256 HydrophobicContact CD1-CG2 4.46Å; F252-V256 VanDerWaalsContact O-CG2 3.3Å; F252-V256 WeakPolarHBondContact O-CG2 3.36Å; F252-V256 PolarHBondContact O-N 3.49Å; N253-V256 WeakPolarHBondContact O-CB 3.19Å; N253-V256 PolarHBondContact O-N 3.46Å; V256-E259 PolarHBondContact O-N 3.41Å; V256-L260 HydrophobicContact CG1-CD1 3.61Å; V256-L260 HydrophobicContact CG1-CG 4.3Å; V256-L260 WeakPolarHBondContact O-CB 3.5Å; V256-L260 WeakPolarHBondContact O-CD1 3.47Å; V256-L260 WeakPolarHBondContact O-CG 3.3Å; V256-L260 PolarHBondContact O-N 2.68Å; V256-T437 HydrophobicContact CG1-CG2 4.03Å; V256-L441 HydrophobicContact CB-CD2 4.27Å; V256-L441 HydrophobicContact CG1-CD1 4.18Å; V256-L441 HydrophobicContact CG1-CD2 3.95Å; V256-L441 HydrophobicContact CG1-CG 4.26Å
257	I	97.1	Very high	95.1	Very high	78 Å²	78	62 Å²	62	40%	0.4	32%	0.322	S	S	.	.	H	α-helix	trans	-62.2	-47.1	-179.3	-67.5	165.2	0	0	0	110.8	N253 C254 E259 L260 A261 L441 F445	N253-I257 VanDerWaalsContact O-CG1 3.31Å; N253-I257 WeakPolarHBondContact O-CG1 3.39Å; N253-I257 PolarHBondContact O-N 3.24Å; C254-I257 PolarHBondContact O-N 3.45Å; I257-E259 PolarHBondContact O-N 3.38Å; I257-L260 PolarHBondContact O-N 3.04Å; I257-A261 WeakPolarHBondContact O-CB 3.21Å; I257-A261 PolarHBondContact O-N 2.93Å; I257-L441 HydrophobicContact CD1-CD2 4.47Å; I257-L441 HydrophobicContact CG1-CD1 4.05Å; I257-L441 HydrophobicContact CG1-CD2 4.23Å; I257-F445 HydrophobicContact CD1-CE2 3.97Å; I257-F445 HydrophobicContact CD1-CZ 3.92Å
258	K	96.8	Very high	94.7	Very high	139 Å²	139	62.8 Å²	62.8	60%	0.604	32%	0.322	S	S	*	.	H	α-helix	trans	-58	-48.5	178.7	179.4	-179.1	172	-179.7	0	112	C254 L255 A261 K262	C254-K258 WeakPolarHBondContact O-CB 3.32Å; C254-K258 PolarHBondContact O-N 2.61Å; L255-K258 PolarHBondContact O-N 3.17Å; K258-A261 WeakPolarHBondContact O-CB 3.31Å; K258-A261 PolarHBondContact O-N 3.46Å; K258-K262 PolarHBondContact O-N 3.08Å
259	E	94.2	Very high	94.3	Very high	42 Å²	42	65 Å²	65	20%	0.196	33%	0.331	C	S	.	.	H	α-helix	trans	-72.5	-33.5	-178.4	-67.2	-59.5	137.6	0	0	112.3	I176 L255 V256 I257 K262 V263	I176-E259 HydrophobicContact CG2-CB 3.7Å; L255-E259 WeakPolarHBondContact O-CB 3.25Å; L255-E259 WeakPolarHBondContact O-CG 3.29Å; L255-E259 PolarHBondContact O-N 2.91Å; V256-E259 PolarHBondContact O-N 3.41Å; I257-E259 PolarHBondContact O-N 3.38Å; E259-K262 PolarHBondContact O-N 2.99Å; E259-V263 VanDerWaalsContact O-CG2 3.3Å; E259-V263 WeakPolarHBondContact O-CG2 3.27Å; E259-V263 PolarHBondContact O-N 2.84Å
260	L	92.8	Very high	93.9	Very high	52 Å²	52	69 Å²	69	27%	0.272	35%	0.351	S	S	.	.	H	α-helix	trans	-63.3	-41.6	170.3	-73.9	169.5	0	0	0	111.9	I176 V256 I257 V263 H264 F433 T437	I176-L260 HydrophobicContact CD1-CD1 4.18Å; I176-L260 HydrophobicContact CD1-CD2 3.67Å; I176-L260 HydrophobicContact CD1-CG 3.71Å; I176-L260 HydrophobicContact CG1-CD2 4.03Å; I176-L260 HydrophobicContact CG2-CD2 4.45Å; V256-L260 HydrophobicContact CG1-CD1 3.61Å; V256-L260 HydrophobicContact CG1-CG 4.3Å; V256-L260 WeakPolarHBondContact O-CB 3.5Å; V256-L260 WeakPolarHBondContact O-CD1 3.47Å; V256-L260 WeakPolarHBondContact O-CG 3.3Å; V256-L260 PolarHBondContact O-N 2.68Å; I257-L260 PolarHBondContact O-N 3.04Å; L260-V263 PolarHBondContact O-N 2.87Å; L260-H264 WeakPolarHBondContact O-CB 3.41Å; L260-H264 PolarHBondContact O-N 3.19Å; L260-F433 HydrophobicContact CD2-CE1 4.42Å; L260-T437 HydrophobicContact CD1-CG2 3.58Å
261	A	93.7	Very high	93.4	Very high	43 Å²	43	68.5 Å²	68.5	36%	0.355	36%	0.356	S	S	.	.	H	α-helix	trans	-62	-47.3	176.3	0	0	0	0	0	110.6	I257 K258 V263 H264 H265	I257-A261 WeakPolarHBondContact O-CB 3.21Å; I257-A261 PolarHBondContact O-N 2.93Å; K258-A261 WeakPolarHBondContact O-CB 3.31Å; K258-A261 PolarHBondContact O-N 3.46Å; A261-V263 PolarHBondContact O-N 2.85Å; A261-H264 WeakPolarHBondContact O-CA 3.43Å; A261-H264 WeakPolarHBondContact O-CB 3.4Å; A261-H264 PolarHBondContact O-N 3.37Å; A261-H265 PolarHBondContact O-CD2 3.47Å; A261-H265 PolarHBondContact O-N 3.31Å
262	K	93.5	Very high	93	Very high	138 Å²	138	69.3 Å²	69.3	60%	0.6	36%	0.359	S	S	*	.	H	α-helix	trans	-55	-48.4	175	-177.7	-178.9	177.5	-179	0	112.2	K258 E259 H264 H265 A266	K258-K262 PolarHBondContact O-N 3.08Å; E259-K262 PolarHBondContact O-N 2.99Å; K262-H264 VanDerWaalsContact C-N 3.29Å; K262-H264 PolarHBondContact O-N 3.43Å; K262-H265 PolarHBondContact O-N 3.09Å; K262-A266 PolarHBondContact O-N 3.48Å
263	V	89.8	Confident	92.6	Very high	31 Å²	31	72.4 Å²	72.4	19%	0.188	38%	0.376	C	S	.	.	H	α-helix	trans	-62.1	-38.2	176.7	171	0	0	0	0	111.3	I176 E259 L260 A261 N267	I176-V263 HydrophobicContact CG2-CG2 4.46Å; E259-V263 VanDerWaalsContact O-CG2 3.3Å; E259-V263 WeakPolarHBondContact O-CG2 3.27Å; E259-V263 PolarHBondContact O-N 2.84Å; L260-V263 PolarHBondContact O-N 2.87Å; A261-V263 PolarHBondContact O-N 2.85Å; V263-N267 WeakPolarHBondContact O-CB 3.42Å; V263-N267 VanDerWaalsContact O-CG 3.31Å; V263-N267 PolarHBondContact O-N 3.43Å; V263-N267 PolarHBondContact O-ND2 2.86Å; V263-N267 VanDerWaalsContact O-ND2 3.08Å
264	H	89.5	Confident	92.2	Very high	112 Å²	112	75.7 Å²	75.7	52%	0.519	40%	0.398	S	S	.	.	H	α-helix	trans	-65.2	-44.5	177.3	-170.5	65.5	0	0	0	112.4	L260 A261 K262 N267 K268	L260-H264 WeakPolarHBondContact O-CB 3.41Å; L260-H264 PolarHBondContact O-N 3.19Å; A261-H264 WeakPolarHBondContact O-CA 3.43Å; A261-H264 WeakPolarHBondContact O-CB 3.4Å; A261-H264 PolarHBondContact O-N 3.37Å; K262-H264 VanDerWaalsContact C-N 3.29Å; K262-H264 PolarHBondContact O-N 3.43Å; H264-N267 PolarHBondContact O-N 2.66Å; H264-K268 WeakPolarHBondContact O-CB 3.42Å; H264-K268 PolarHBondContact O-N 3.43Å
265	H	91.2	Very high	91.6	Very high	113 Å²	113	76.5 Å²	76.5	52%	0.523	40%	0.398	S	S	.	.	H	α-helix	trans	-62.2	-45.3	176.4	-75.4	-71.2	0	0	0	112.1	A261 K262 N267 K268 Q269	A261-H265 PolarHBondContact O-CD2 3.47Å; A261-H265 PolarHBondContact O-N 3.31Å; K262-H265 PolarHBondContact O-N 3.09Å; H265-N267 PolarHBondContact O-N 3.03Å; H265-K268 WeakPolarHBondContact O-CB 3.27Å; H265-K268 PolarHBondContact O-N 3.44Å; H265-Q269 PolarHBondContact O-N 3.18Å
266	A	90.9	Very high	91	Very high	45 Å²	45	81 Å²	81	37%	0.372	42%	0.418	S	S	.	.	H	α-helix	trans	-60	-45	176.1	0	0	0	0	0	112.1	K262 K268 Q269 L270	K262-A266 PolarHBondContact O-N 3.48Å; A266-K268 VanDerWaalsContact C-N 3.3Å; A266-K268 PolarHBondContact O-N 3.16Å; A266-Q269 PolarHBondContact O-N 3.07Å; A266-L270 WeakPolarHBondContact O-CG 3.48Å; A266-L270 PolarHBondContact O-N 2.74Å
267	N	87.4	Confident	90.5	Very high	32 Å²	32	86.1 Å²	86.1	17%	0.171	45%	0.445	C	S	.	.	H	α-helix	trans	-64.4	-34.3	176.4	-75.3	-38.6	0	0	0	112.9	V263 H264 H265 A271 N429	V263-N267 WeakPolarHBondContact O-CB 3.42Å; V263-N267 VanDerWaalsContact O-CG 3.31Å; V263-N267 PolarHBondContact O-N 3.43Å; V263-N267 PolarHBondContact O-ND2 2.86Å; V263-N267 VanDerWaalsContact O-ND2 3.08Å; H264-N267 PolarHBondContact O-N 2.66Å; H265-N267 PolarHBondContact O-N 3.03Å; N267-A271 WeakPolarHBondContact O-CB 3.28Å; N267-A271 PolarHBondContact O-N 2.94Å; N267-N429 PolarHBondContact ND2-ND2 3.29Å; N267-N429 PolarHBondContact ND2-OD1 3.38Å
268	K	89.3	Confident	89.8	Confident	115 Å²	115	85 Å²	85	50%	0.5	44%	0.443	S	S	.	.	H	α-helix	trans	-65.4	-43.1	176	-173.4	-177.1	178.3	-171.7	0	111.1	H264 H265 A266 A271 M272	H264-K268 WeakPolarHBondContact O-CB 3.42Å; H264-K268 PolarHBondContact O-N 3.43Å; H265-K268 WeakPolarHBondContact O-CB 3.27Å; H265-K268 PolarHBondContact O-N 3.44Å; A266-K268 VanDerWaalsContact C-N 3.3Å; A266-K268 PolarHBondContact O-N 3.16Å; K268-A271 PolarHBondContact O-N 3.19Å; K268-M272 HydrophobicContact CD-CE 4.27Å; K268-M272 HydrophobicContact CG-CE 3.99Å; K268-M272 WeakPolarHBondContact O-CG 3.27Å; K268-M272 PolarHBondContact O-N 3.36Å
269	Q	90.5	Very high	88.9	Confident	116 Å²	116	84.1 Å²	84.1	54%	0.542	45%	0.445	S	S	.	.	H	α-helix	trans	-64	-45.6	175.9	-70.5	177	-9.2	0	0	111.6	H265 A266 A271 M272 I273	H265-Q269 PolarHBondContact O-N 3.18Å; A266-Q269 PolarHBondContact O-N 3.07Å; Q269-A271 VanDerWaalsContact C-N 3.29Å; Q269-A271 PolarHBondContact O-N 3.03Å; Q269-M272 WeakPolarHBondContact O-CB 3.42Å; Q269-M272 PolarHBondContact O-N 2.74Å; Q269-M272 VanDerWaalsContact O-N 3.11Å; Q269-I273 WeakPolarHBondContact O-CG1 3.24Å; Q269-I273 PolarHBondContact O-N 3.17Å
270	L	89.1	Confident	87.8	Confident	86 Å²	86	85 Å²	85	45%	0.45	46%	0.456	S	S	.	.	H	α-helix	trans	-60.1	-38.7	175.6	-70.8	173.2	0	0	0	112.4	A266 S274	A266-L270 WeakPolarHBondContact O-CG 3.48Å; A266-L270 PolarHBondContact O-N 2.74Å; L270-S274 VanDerWaalsContact O-CB 3.24Å; L270-S274 WeakPolarHBondContact O-CB 3.32Å; L270-S274 PolarHBondContact O-N 3.42Å
271	A	88	Confident	86.3	Confident	50 Å²	50	85.6 Å²	85.6	41%	0.413	46%	0.464	S	S	.	.	H	α-helix	trans	-65.7	-37.9	175.2	0	0	0	0	0	112.3	N267 K268 Q269 N275	N267-A271 WeakPolarHBondContact O-CB 3.28Å; N267-A271 PolarHBondContact O-N 2.94Å; K268-A271 PolarHBondContact O-N 3.19Å; Q269-A271 VanDerWaalsContact C-N 3.29Å; Q269-A271 PolarHBondContact O-N 3.03Å; A271-N275 WeakPolarHBondContact O-CB 3.43Å; A271-N275 PolarHBondContact O-N 2.9Å; A271-N275 PolarHBondContact O-ND2 3.11Å
272	M	90.2	Very high	84.4	Confident	110 Å²	110	87.2 Å²	87.2	54%	0.542	47%	0.473	S	S	.	.	H	α-helix	trans	-65.5	-46.8	175.5	-70.9	168.9	170.4	0	0	111.8	K268 Q269 N275 H276	K268-M272 HydrophobicContact CD-CE 4.27Å; K268-M272 HydrophobicContact CG-CE 3.99Å; K268-M272 WeakPolarHBondContact O-CG 3.27Å; K268-M272 PolarHBondContact O-N 3.36Å; Q269-M272 WeakPolarHBondContact O-CB 3.42Å; Q269-M272 PolarHBondContact O-N 2.74Å; Q269-M272 VanDerWaalsContact O-N 3.11Å; M272-N275 PolarHBondContact O-N 3.04Å; M272-H276 PolarHBondContact O-N 3.16Å
273	I	90.4	Very high	82.1	Confident	100 Å²	100	84.7 Å²	84.7	51%	0.513	47%	0.473	S	S	.	.	H	α-helix	trans	-62.8	-45.1	178.4	-65.4	166.1	0	0	0	110.7	Q269 N275 H276 L277	Q269-I273 WeakPolarHBondContact O-CG1 3.24Å; Q269-I273 PolarHBondContact O-N 3.17Å; I273-N275 VanDerWaalsContact C-N 3.33Å; I273-N275 PolarHBondContact O-N 3.22Å; I273-H276 PolarHBondContact O-N 3.11Å; I273-H276 VanDerWaalsContact O-N 3.17Å; I273-L277 HydrophobicContact CG2-CD1 3.89Å; I273-L277 HydrophobicContact CG2-CG 4.48Å; I273-L277 WeakPolarHBondContact O-CG 3.48Å; I273-L277 PolarHBondContact O-N 2.8Å
274	S	88.4	Confident	79.9	Confident	69 Å²	69	86.9 Å²	86.9	48%	0.483	49%	0.489	S	S	.	.	H	α-helix	trans	-58.7	-42.7	176.6	-177.9	0	0	0	0	112.3	L270 H276 L277 S278	L270-S274 VanDerWaalsContact O-CB 3.24Å; L270-S274 WeakPolarHBondContact O-CB 3.32Å; L270-S274 PolarHBondContact O-N 3.42Å; S274-H276 PolarHBondContact O-N 3.08Å; S274-L277 PolarHBondContact O-N 3.34Å; S274-S278 PolarHBondContact O-N 3.31Å
275	N	86.2	Confident	77.7	Confident	85 Å²	85	87 Å²	87	46%	0.455	50%	0.498	S	S	.	.	H	α-helix	trans	-63.6	-41.3	176	-72.4	-18.6	0	0	0	111.8	A271 M272 I273 S278 L279	A271-N275 WeakPolarHBondContact O-CB 3.43Å; A271-N275 PolarHBondContact O-N 2.9Å; A271-N275 PolarHBondContact O-ND2 3.11Å; M272-N275 PolarHBondContact O-N 3.04Å; I273-N275 VanDerWaalsContact C-N 3.33Å; I273-N275 PolarHBondContact O-N 3.22Å; N275-S278 PolarHBondContact O-N 3.36Å; N275-S278 PolarHBondContact O-OG 3.5Å; N275-L279 PolarHBondContact O-N 3.25Å
276	H	85.7	Confident	75.2	Confident	144 Å²	144	91.9 Å²	91.9	67%	0.667	51%	0.513	S	S	*	.	H	α-helix	trans	-64.4	-43.2	178.4	-148.8	-82.6	0	0	0	111.9	M272 I273 S274 S278 L279 S280	M272-H276 PolarHBondContact O-N 3.16Å; I273-H276 PolarHBondContact O-N 3.11Å; I273-H276 VanDerWaalsContact O-N 3.17Å; S274-H276 PolarHBondContact O-N 3.08Å; H276-S278 VanDerWaalsContact C-N 3.34Å; H276-S278 PolarHBondContact O-N 2.8Å; H276-L279 PolarHBondContact O-N 3.11Å; H276-S280 PolarHBondContact O-N 3.03Å; H276-S280 PolarHBondContact O-OG 3.17Å
277	L	85.2	Confident	72.1	Confident	109 Å²	109	95 Å²	95	57%	0.571	53%	0.532	S	S	*	.	H	α-helix	trans	-62.7	-38.2	175.4	-71.9	165.2	0	0	0	112.4	I273 S274 S280 S281	I273-L277 HydrophobicContact CG2-CD1 3.89Å; I273-L277 HydrophobicContact CG2-CG 4.48Å; I273-L277 WeakPolarHBondContact O-CG 3.48Å; I273-L277 PolarHBondContact O-N 2.8Å; S274-L277 PolarHBondContact O-N 3.34Å; L277-S280 WeakPolarHBondContact CA-OG 3.45Å; L277-S280 PolarHBondContact O-N 2.99Å; L277-S280 PolarHBondContact O-OG 3.02Å; L277-S281 PolarHBondContact O-N 3.46Å; L277-S281 PolarHBondContact O-OG 2.96Å
278	S	82.6	Confident	69.4	Low	53 Å²	53	98.3 Å²	98.3	37%	0.371	56%	0.557	S	S	.	*	H	α-helix	trans	-67.2	-37	176.2	73.1	0	0	0	0	112.6	S274 N275 H276 S281 S282	S274-S278 PolarHBondContact O-N 3.31Å; N275-S278 PolarHBondContact O-N 3.36Å; N275-S278 PolarHBondContact O-OG 3.5Å; H276-S278 VanDerWaalsContact C-N 3.34Å; H276-S278 PolarHBondContact O-N 2.8Å; S278-S281 PolarHBondContact O-OG 3.05Å; S278-S282 PolarHBondContact O-N 3.41Å; S278-S282 PolarHBondContact O-OG 2.61Å
279	L	78.2	Confident	66.7	Low	121 Å²	121	99.7 Å²	99.7	63%	0.634	58%	0.575	S	S	*	*	H	α-helix	trans	-69.2	-40.3	175	-110.2	74	0	0	0	112.3	N275 H276 S282 S283	N275-L279 PolarHBondContact O-N 3.25Å; H276-L279 PolarHBondContact O-N 3.11Å; L279-S282 PolarHBondContact O-N 3.13Å; L279-S283 PolarHBondContact O-N 3.35Å; L279-S283 VanDerWaalsContact O-N 3.08Å; L279-S283 PolarHBondContact O-OG 2.72Å
280	S	72.1	Confident	63.8	Low	61 Å²	61	99.7 Å²	99.7	43%	0.427	59%	0.588	S	S	.	*	H	α-helix	trans	-66.6	-39.8	177.5	54	0	0	0	0	112.1	H276 L277 S282 S283 S284	H276-S280 PolarHBondContact O-N 3.03Å; H276-S280 PolarHBondContact O-OG 3.17Å; L277-S280 WeakPolarHBondContact CA-OG 3.45Å; L277-S280 PolarHBondContact O-N 2.99Å; L277-S280 PolarHBondContact O-OG 3.02Å; S280-S282 VanDerWaalsContact C-N 3.31Å; S280-S282 PolarHBondContact O-N 3.27Å; S280-S283 PolarHBondContact O-N 3.42Å; S280-S284 PolarHBondContact O-N 3Å; S280-S284 VanDerWaalsContact O-N 3.07Å; S280-S284 PolarHBondContact O-OG 3.47Å
281	S	60.1	Low	61.1	Low	65 Å²	65	104.5 Å²	104.5	46%	0.455	61%	0.608	S	S	.	*	H	α-helix	trans	-66	-31.4	175.3	63.7	0	0	0	0	113.5	L277 S278 S283 S284 T285	L277-S281 PolarHBondContact O-N 3.46Å; L277-S281 PolarHBondContact O-OG 2.96Å; S278-S281 PolarHBondContact O-OG 3.05Å; S281-S283 VanDerWaalsContact C-N 3.34Å; S281-S284 PolarHBondContact O-OG 3.19Å; S281-S284 VanDerWaalsContact O-OG 3.04Å; S281-T285 PolarHBondContact O-OG1 3.22Å
282	S	54.3	Low	58.1	Low	77 Å²	77	107 Å²	107	54%	0.538	62%	0.623	S	S	.	*	H	α-helix	trans	-73.7	-28.6	174.4	-54.1	0	0	0	0	112.1	S278 L279 S280	S278-S282 PolarHBondContact O-N 3.41Å; S278-S282 PolarHBondContact O-OG 2.61Å; L279-S282 PolarHBondContact O-N 3.13Å; S280-S282 VanDerWaalsContact C-N 3.31Å; S280-S282 PolarHBondContact O-N 3.27Å
283	S	45	Very low	55.2	Low	85 Å²	85	109.4 Å²	109.4	59%	0.594	64%	0.638	S	S	*	*	H	α-helix	trans	-78.9	-29.4	178	-53.8	0	0	0	0	112.3	L279 S280 S281 T285	L279-S283 PolarHBondContact O-N 3.35Å; L279-S283 VanDerWaalsContact O-N 3.08Å; L279-S283 PolarHBondContact O-OG 2.72Å; S280-S283 PolarHBondContact O-N 3.42Å; S281-S283 VanDerWaalsContact C-N 3.34Å; S283-T285 VanDerWaalsContact C-N 3.28Å; S283-T285 PolarHBondContact O-N 2.93Å
284	S	44.6	Very low	52.3	Low	77 Å²	77	110.2 Å²	110.2	54%	0.538	65%	0.648	S	S	.	*	G	3₁₀ helix	trans	-76.7	-6.9	177.3	58.2	0	0	0	0	114.5	S280 S281 Y286	S280-S284 PolarHBondContact O-N 3Å; S280-S284 VanDerWaalsContact O-N 3.07Å; S280-S284 PolarHBondContact O-OG 3.47Å; S281-S284 PolarHBondContact O-OG 3.19Å; S281-S284 VanDerWaalsContact O-OG 3.04Å; S284-Y286 VanDerWaalsContact C-N 3.3Å; S284-Y286 PolarHBondContact O-N 3.4Å
285	T	42	Very low	49.3	Very low	114 Å²	114	114.3 Å²	114.3	70%	0.699	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-82.1	-4.6	176.8	-34.2	0	0	0	0	113.3	S281 S283	S281-T285 PolarHBondContact O-OG1 3.22Å; S283-T285 VanDerWaalsContact C-N 3.28Å; S283-T285 PolarHBondContact O-N 2.93Å
286	Y	38.9	Very low	46.8	Very low	215 Å²	215	115.8 Å²	115.8	84%	0.843	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-103.1	2.7	175	-77.8	-74.6	0	0	0	115.1	S284	S284-Y286 VanDerWaalsContact C-N 3.3Å; S284-Y286 PolarHBondContact O-N 3.4Å
287	C	25.5	Very low	44	Very low	112 Å²	112	119 Å²	119	76%	0.757	69%	0.689	S	S	*	*	S	Bend	trans	-121	66.6	177.7	-79.5	0	0	0	0	112.2
288	S	30.7	Very low	41.4	Very low	100 Å²	100	117 Å²	117	70%	0.699	69%	0.694	S	S	*	*			trans	-179.4	105	147.2	40.7	0	0	0	0	109.8
289	T	32.5	Very low	38.7	Very low	145 Å²	145	122.8 Å²	122.8	89%	0.89	72%	0.721	S	S	*	*			trans	176.7	82.6	134.3	28.6	0	0	0	0	109.8
290	S	29.9	Very low	36.4	Very low	116 Å²	116	124.8 Å²	124.8	81%	0.811	73%	0.731	S	S	*	*			trans	-115.4	80.7	148.6	58.1	0	0	0	0	106.8
291	Q	32.5	Very low	34.3	Very low	187 Å²	187	127 Å²	127	87%	0.874	75%	0.747	S	S	*	*			trans	-166.1	110.7	149.2	-105.6	166.3	26.9	0	0	108.4
292	S	24.6	Very low	32.6	Very low	103 Å²	103	135.3 Å²	135.3	72%	0.72	77%	0.769	S	S	*	*			trans	-51.5	131.4	166.8	46.9	0	0	0	0	111.3
293	N	30.9	Very low	31.3	Very low	159 Å²	159	136.5 Å²	136.5	85%	0.85	77%	0.774	S	S	*	*				-165.3	151.4	127.1	-88.5	-16	0	0	0	110.4
294	T	27.6	Very low	30.4	Very low	118 Å²	118	137.8 Å²	137.8	72%	0.724	78%	0.783	S	S	*	*			trans	-73.6	139.7	-159.4	44.7	0	0	0	0	116.4
295	I	25.7	Very low	29.5	Very low	154 Å²	154	144.6 Å²	144.6	79%	0.79	80%	0.799	S	S	*	*			trans	58	144	134.8	-59.3	174.4	0	0	0	118.3
296	P	34.9	Very low	28.8	Very low	117 Å²	117	146.2 Å²	146.2	76%	0.76	80%	0.802	S	S	*	*			cis	-128.9	165.8	18.5	18.3	7.6	0	0	0	118	G298	P296-G298 PolarHBondContact O-N 3.31Å
297	K	27.3	Very low	28.2	Very low	211 Å²	211	141.6 Å²	141.6	92%	0.917	79%	0.791	S	S	*	*			trans	-62.8	110.7	172.9	-64.3	167.9	177.5	172.2	0	111.6
298	G	30	Very low	28.3	Very low	66 Å²	66	141.7 Å²	141.7	68%	0.68	78%	0.784	S	S	*	*			trans	-115.2	122.4	158	0	0	0	0	0	108.8	P296 L300	P296-G298 PolarHBondContact O-N 3.31Å; G298-L300 VanDerWaalsContact C-N 3.32Å; G298-L300 PolarHBondContact O-N 2.81Å
299	N	25.9	Very low	28.2	Very low	176 Å²	176	141.8 Å²	141.8	94%	0.941	78%	0.777	S	S	*	*			trans	-63.3	86.8	177.8	-74.5	-25	0	0	0	110.7
300	L	29	Very low	28.1	Very low	162 Å²	162	140.5 Å²	140.5	85%	0.848	77%	0.765	S	S	*	*			trans	-93	115.1	167.2	-156.4	70.6	0	0	0	108.4	G298 R302	G298-L300 VanDerWaalsContact C-N 3.32Å; G298-L300 PolarHBondContact O-N 2.81Å; L300-R302 PolarHBondContact O-N 3.19Å; L300-R302 VanDerWaalsContact O-N 3.09Å
301	S	28.5	Very low	28.3	Very low	109 Å²	109	139.4 Å²	139.4	76%	0.762	75%	0.75	S	S	*	*			trans	-50.1	112.7	177.2	36.1	0	0	0	0	111.1	P303	S301-P303 WeakPolarHBondContact O-CD 3.49Å
302	R	25.3	Very low	28.3	Very low	239 Å²	239	135 Å²	135	90%	0.902	73%	0.733	S	S	*	*			trans	-57.5	121.9	176.4	-164.6	177.1	-170.3	179.5	3.5	109.4	L300 S304	L300-R302 PolarHBondContact O-N 3.19Å; L300-R302 VanDerWaalsContact O-N 3.09Å; R302-S304 PolarHBondContact O-N 3Å
303	P	26.8	Very low	28.7	Very low	102 Å²	102	133.3 Å²	133.3	66%	0.662	72%	0.721	S	S	*	*			trans	-62.9	125.1	172	-15.9	28.4	0	0	0	108.6	S301 Y305	S301-P303 WeakPolarHBondContact O-CD 3.49Å; P303-Y305 PolarHBondContact O-N 3.37Å
304	S	25.1	Very low	28.9	Very low	112 Å²	112	130.1 Å²	130.1	78%	0.783	70%	0.703	S	S	*	*			trans	-64.5	96.4	171	42.4	0	0	0	0	109	R302 I306	R302-S304 PolarHBondContact O-N 3Å; S304-I306 PolarHBondContact O-N 3.32Å
305	Y	26.1	Very low	29.3	Very low	219 Å²	219	129.8 Å²	129.8	86%	0.859	70%	0.697	S	S	*	*			trans	-58.4	109.5	165.3	-94.3	-91.8	0	0	0	108.4	P303 N307	P303-Y305 PolarHBondContact O-N 3.37Å; Y305-N307 PolarHBondContact O-N 3.28Å
306	I	27.2	Very low	29.8	Very low	149 Å²	149	126.7 Å²	126.7	76%	0.764	68%	0.682	S	S	*	*			trans	-64	103.9	168.5	-65.6	173.1	0	0	0	106.6	S304 N308	S304-I306 PolarHBondContact O-N 3.32Å; I306-N308 PolarHBondContact O-N 2.91Å
307	N	25.4	Very low	29.8	Very low	117 Å²	117	126 Å²	126	63%	0.626	67%	0.669	S	S	*	*			trans	-65.5	101.6	178.4	-161	-1.2	0	0	0	109.2	Y305 N309	Y305-N307 PolarHBondContact O-N 3.28Å; N307-N309 PolarHBondContact O-N 3.23Å; N307-N309 VanDerWaalsContact O-N 3.1Å; N307-N309 PolarHBondContact OD1-ND2 3.48Å
308	N	28.5	Very low	30.2	Very low	114 Å²	114	119.1 Å²	119.1	61%	0.61	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	13.3	-176.6	-115.1	-8.8	0	0	0	114	I306 N310 N311	I306-N308 PolarHBondContact O-N 2.91Å; N308-N310 PolarHBondContact O-N 3.44Å; N308-N311 PolarHBondContact O-N 3.18Å
309	N	28.7	Very low	30.5	Very low	103 Å²	103	123 Å²	123	55%	0.551	65%	0.645	S	S	*	*	H	α-helix	trans	-58.9	-16.4	173.8	-83.9	-11.7	0	0	0	113.9	N307 N311 S313	N307-N309 PolarHBondContact O-N 3.23Å; N307-N309 VanDerWaalsContact O-N 3.1Å; N307-N309 PolarHBondContact OD1-ND2 3.48Å; N309-N311 VanDerWaalsContact C-N 3.34Å; N309-N311 PolarHBondContact O-N 2.94Å; N309-S313 PolarHBondContact O-N 2.94Å
310	N	31.2	Very low	31.2	Very low	117 Å²	117	119.4 Å²	119.4	63%	0.626	63%	0.626	S	S	*	*	H	α-helix	trans	-67.9	-27.4	176.7	-76.6	-8.5	0	0	0	113.9	N308 N314	N308-N310 PolarHBondContact O-N 3.44Å; N310-N314 WeakPolarHBondContact O-CB 3.31Å; N310-N314 PolarHBondContact O-N 3.27Å; N310-N314 PolarHBondContact O-ND2 3.08Å
311	N	33.6	Very low	32.1	Very low	94 Å²	94	116.8 Å²	116.8	50%	0.503	61%	0.608	S	S	.	*	H	α-helix	trans	-76.8	-33	-179.7	-78.3	-19.5	0	0	0	113.1	N308 N309 N314 N315	N308-N311 PolarHBondContact O-N 3.18Å; N309-N311 VanDerWaalsContact C-N 3.34Å; N309-N311 PolarHBondContact O-N 2.94Å; N311-N314 PolarHBondContact O-N 2.94Å; N311-N315 PolarHBondContact O-N 3.33Å
312	N	32.6	Very low	33.1	Very low	95 Å²	95	115.9 Å²	115.9	51%	0.508	59%	0.593	S	S	.	*	H	α-helix	trans	-72.7	-36.7	171.8	-86.1	-13.1	0	0	0	111.7	N316	N312-N316 VanDerWaalsContact O-CB 3.26Å; N312-N316 WeakPolarHBondContact O-CB 3.43Å; N312-N316 PolarHBondContact O-N 3.26Å; N312-N316 PolarHBondContact O-ND2 3.5Å
313	S	33	Very low	33.7	Very low	67 Å²	67	111.8 Å²	111.8	47%	0.469	58%	0.582	S	S	.	*	H	α-helix	trans	-63.1	-40.2	170.8	-105.3	0	0	0	0	112.4	N309 Q317	N309-S313 PolarHBondContact O-N 2.94Å; S313-Q317 WeakPolarHBondContact O-CB 3.12Å; S313-Q317 WeakPolarHBondContact O-CG 3.37Å; S313-Q317 PolarHBondContact O-N 3.35Å
314	N	34.3	Very low	34.5	Very low	91 Å²	91	114.3 Å²	114.3	49%	0.487	58%	0.582	S	S	.	*	H	α-helix	trans	-69	-40.8	178.5	-77	-17	0	0	0	113.1	N310 N311 C318	N310-N314 WeakPolarHBondContact O-CB 3.31Å; N310-N314 PolarHBondContact O-N 3.27Å; N310-N314 PolarHBondContact O-ND2 3.08Å; N311-N314 PolarHBondContact O-N 2.94Å; N314-C318 VanDerWaalsContact O-CB 3.26Å; N314-C318 WeakPolarHBondContact O-CB 3.44Å; N314-C318 PolarHBondContact O-N 2.9Å
315	N	35.9	Very low	35.2	Very low	111 Å²	111	116.8 Å²	116.8	59%	0.594	58%	0.576	S	S	*	*	H	α-helix	trans	-70	-37.4	175.7	-85.4	-22.3	0	0	0	112.3	N311 K319	N311-N315 PolarHBondContact O-N 3.33Å; N315-K319 WeakPolarHBondContact O-CB 3.33Å; N315-K319 PolarHBondContact O-N 2.99Å
316	N	37.2	Very low	35.8	Very low	90 Å²	90	112.8 Å²	112.8	48%	0.481	56%	0.563	S	S	.	*	H	α-helix	trans	-72.2	-37.4	174.4	-74.6	-17.7	0	0	0	112	N312 N320	N312-N316 VanDerWaalsContact O-CB 3.26Å; N312-N316 WeakPolarHBondContact O-CB 3.43Å; N312-N316 PolarHBondContact O-N 3.26Å; N312-N316 PolarHBondContact O-ND2 3.5Å; N316-N320 WeakPolarHBondContact O-CB 3.36Å; N316-N320 PolarHBondContact O-N 3.39Å; N316-N320 PolarHBondContact O-ND2 3.41Å; N316-N320 PolarHBondContact O-OD1 3.46Å
317	Q	33.4	Very low	36.4	Very low	101 Å²	101	113.6 Å²	113.6	47%	0.472	56%	0.561	S	S	.	*	H	α-helix	trans	-65.1	-41.7	172	-88.2	-169.4	-8.5	0	0	111.8	S313 N320 K321	S313-Q317 WeakPolarHBondContact O-CB 3.12Å; S313-Q317 WeakPolarHBondContact O-CG 3.37Å; S313-Q317 PolarHBondContact O-N 3.35Å; Q317-N320 PolarHBondContact O-N 3.49Å; Q317-K321 VanDerWaalsContact O-CB 3.31Å; Q317-K321 WeakPolarHBondContact O-CB 3.42Å; Q317-K321 WeakPolarHBondContact O-CG 3.43Å; Q317-K321 PolarHBondContact O-N 2.93Å
318	C	35.7	Very low	37.2	Very low	67 Å²	67	114.4 Å²	114.4	45%	0.453	57%	0.565	S	S	.	*	H	α-helix	trans	-67.4	-44.2	177.5	-163.3	0	0	0	0	111.1	N314 N320 K321 I322	N314-C318 VanDerWaalsContact O-CB 3.26Å; N314-C318 WeakPolarHBondContact O-CB 3.44Å; N314-C318 PolarHBondContact O-N 2.9Å; C318-N320 VanDerWaalsContact C-N 3.35Å; C318-N320 PolarHBondContact O-N 2.97Å; C318-K321 PolarHBondContact O-N 3.23Å; C318-I322 WeakPolarHBondContact O-CB 3.36Å; C318-I322 VanDerWaalsContact O-CG1 3.27Å; C318-I322 WeakPolarHBondContact O-CG1 3.14Å; C318-I322 PolarHBondContact O-N 3.42Å
319	K	37.4	Very low	37.7	Very low	149 Å²	149	114.2 Å²	114.2	65%	0.648	56%	0.563	S	S	*	*	H	α-helix	trans	-59.7	-41.4	170.9	-94.5	-177.6	173.2	177.1	0	112.6	N315 K323	N315-K319 WeakPolarHBondContact O-CB 3.33Å; N315-K319 PolarHBondContact O-N 2.99Å; K319-K323 WeakPolarHBondContact O-CB 3.44Å; K319-K323 PolarHBondContact O-N 2.94Å
320	N	40.4	Very low	38.1	Very low	100 Å²	100	116.3 Å²	116.3	54%	0.535	57%	0.568	S	S	.	*	H	α-helix	trans	-70.8	-37.3	178.8	-73.5	-11.9	0	0	0	111.5	N316 Q317 C318 K323 K324	N316-N320 WeakPolarHBondContact O-CB 3.36Å; N316-N320 PolarHBondContact O-N 3.39Å; N316-N320 PolarHBondContact O-ND2 3.41Å; N316-N320 PolarHBondContact O-OD1 3.46Å; Q317-N320 PolarHBondContact O-N 3.49Å; C318-N320 VanDerWaalsContact C-N 3.35Å; C318-N320 PolarHBondContact O-N 2.97Å; N320-K323 PolarHBondContact O-N 3.28Å; N320-K324 WeakPolarHBondContact O-CB 3.12Å; N320-K324 PolarHBondContact O-N 3.36Å
321	K	48.2	Very low	38.1	Very low	107 Å²	107	116.3 Å²	116.3	47%	0.465	57%	0.574	S	S	.	*	H	α-helix	trans	-63.9	-47.8	172.8	-80.5	178.7	178.1	178.7	0	110.8	Q317 C318 K324 Y325	Q317-K321 VanDerWaalsContact O-CB 3.31Å; Q317-K321 WeakPolarHBondContact O-CB 3.42Å; Q317-K321 WeakPolarHBondContact O-CG 3.43Å; Q317-K321 PolarHBondContact O-N 2.93Å; C318-K321 PolarHBondContact O-N 3.23Å; K321-K324 PolarHBondContact O-N 3.41Å; K321-K324 VanDerWaalsContact O-N 3.12Å; K321-Y325 VanDerWaalsContact O-CD2 3.23Å; K321-Y325 WeakPolarHBondContact O-CD2 3.5Å; K321-Y325 PolarHBondContact O-N 3.26Å
322	I	49.9	Very low	38.1	Very low	89 Å²	89	121.8 Å²	121.8	46%	0.456	59%	0.593	S	S	.	*	H	α-helix	trans	-61.1	-46.2	175.4	-66.8	167.2	0	0	0	110.2	C318 K324 Y325 F326	C318-I322 WeakPolarHBondContact O-CB 3.36Å; C318-I322 VanDerWaalsContact O-CG1 3.27Å; C318-I322 WeakPolarHBondContact O-CG1 3.14Å; C318-I322 PolarHBondContact O-N 3.42Å; I322-K324 VanDerWaalsContact C-N 3.28Å; I322-K324 PolarHBondContact O-N 3.07Å; I322-Y325 PolarHBondContact O-N 3.43Å; I322-F326 HydrophobicContact CG2-CD2 3.63Å; I322-F326 HydrophobicContact CG2-CE2 3.8Å; I322-F326 WeakPolarHBondContact O-CD2 3.48Å; I322-F326 PolarHBondContact O-N 3.11Å
323	K	38.2	Very low	37.7	Very low	153 Å²	153	126.4 Å²	126.4	67%	0.665	61%	0.609	S	S	*	*	H	α-helix	trans	-58.7	-36.9	173.5	-93.8	-174.2	172.4	-177.5	0	112.7	K319 N320 K327	K319-K323 WeakPolarHBondContact O-CB 3.44Å; K319-K323 PolarHBondContact O-N 2.94Å; N320-K323 PolarHBondContact O-N 3.28Å; K323-K327 WeakPolarHBondContact O-CB 3.44Å; K323-K327 PolarHBondContact O-N 3.27Å
324	K	42.1	Very low	37.2	Very low	155 Å²	155	130.5 Å²	130.5	67%	0.674	62%	0.624	S	S	*	*	H	α-helix	trans	-69.8	-41.8	178.2	-142.9	175.9	-173.9	-177	0	111.5	N320 K321 I322 K327 N328	N320-K324 WeakPolarHBondContact O-CB 3.12Å; N320-K324 PolarHBondContact O-N 3.36Å; K321-K324 PolarHBondContact O-N 3.41Å; K321-K324 VanDerWaalsContact O-N 3.12Å; I322-K324 VanDerWaalsContact C-N 3.28Å; I322-K324 PolarHBondContact O-N 3.07Å; K324-K327 PolarHBondContact O-N 2.94Å; K324-N328 PolarHBondContact O-N 3.35Å; K324-N328 VanDerWaalsContact O-N 3.12Å
325	Y	40.1	Very low	36.7	Very low	165 Å²	165	130.8 Å²	130.8	65%	0.647	63%	0.633	S	S	*	*	H	α-helix	trans	-63.8	-45.9	173.6	-83.3	-72.2	0	0	0	111.9	K321 I322 K327 N328 I329	K321-Y325 VanDerWaalsContact O-CD2 3.23Å; K321-Y325 WeakPolarHBondContact O-CD2 3.5Å; K321-Y325 PolarHBondContact O-N 3.26Å; I322-Y325 PolarHBondContact O-N 3.43Å; Y325-K327 VanDerWaalsContact C-N 3.35Å; Y325-K327 PolarHBondContact O-N 3.01Å; Y325-N328 PolarHBondContact O-N 2.85Å; Y325-I329 WeakPolarHBondContact O-CG1 3.09Å; Y325-I329 PolarHBondContact O-N 2.84Å
326	F	38	Very low	36	Very low	134 Å²	134	131 Å²	131	59%	0.588	64%	0.638	S	S	*	*	H	α-helix	trans	-66.7	-34.2	177.2	-89.2	-81.7	0	0	0	113.1	I322 N328 I329 F330	I322-F326 HydrophobicContact CG2-CD2 3.63Å; I322-F326 HydrophobicContact CG2-CE2 3.8Å; I322-F326 WeakPolarHBondContact O-CD2 3.48Å; I322-F326 PolarHBondContact O-N 3.11Å; F326-N328 VanDerWaalsContact C-N 3.31Å; F326-N328 PolarHBondContact O-N 3Å; F326-I329 PolarHBondContact O-N 3.39Å; F326-F330 PolarHBondContact O-N 3.39Å
327	K	40.1	Very low	35.4	Very low	167 Å²	167	133.5 Å²	133.5	73%	0.726	65%	0.652	S	S	*	*	H	α-helix	trans	-70.9	-26.1	176.9	-164.1	174.9	-175.8	-176.4	0	112.7	K323 K324 Y325	K323-K327 WeakPolarHBondContact O-CB 3.44Å; K323-K327 PolarHBondContact O-N 3.27Å; K324-K327 PolarHBondContact O-N 2.94Å; Y325-K327 VanDerWaalsContact C-N 3.35Å; Y325-K327 PolarHBondContact O-N 3.01Å
328	N	43.3	Very low	34.7	Very low	133 Å²	133	133.6 Å²	133.6	71%	0.711	66%	0.663	S	S	*	*	H	α-helix	trans	-82.4	-19.3	175	-76.5	10.6	0	0	0	113.5	K324 Y325 F326	K324-N328 PolarHBondContact O-N 3.35Å; K324-N328 VanDerWaalsContact O-N 3.12Å; Y325-N328 PolarHBondContact O-N 2.85Å; F326-N328 VanDerWaalsContact C-N 3.31Å; F326-N328 PolarHBondContact O-N 3Å
329	I	38.4	Very low	34.1	Very low	110 Å²	110	137.1 Å²	137.1	56%	0.564	68%	0.683	S	S	*	*	H	α-helix	trans	-87	-27.2	179.6	-68.5	167.6	0	0	0	111.7	Y325 F326	Y325-I329 WeakPolarHBondContact O-CG1 3.09Å; Y325-I329 PolarHBondContact O-N 2.84Å; F326-I329 PolarHBondContact O-N 3.39Å
330	F	37.1	Very low	33.3	Very low	148 Å²	148	140 Å²	140	65%	0.649	70%	0.696	S	S	*	*	S	Bend	trans	-128.9	87	177.9	-65.1	-77	0	0	0	111.6	F326 K332	F326-F330 PolarHBondContact O-N 3.39Å; F330-K332 PolarHBondContact O-N 3.26Å
331	P	31.1	Very low	32.3	Very low	116 Å²	116	145.3 Å²	145.3	75%	0.753	71%	0.714	S	S	*	*			trans	-72.1	101.3	173.2	28.6	-30.2	0	0	0	109.4	K333	P331-K333 PolarHBondContact O-N 3.17Å
332	K	33.2	Very low	30.9	Very low	209 Å²	209	145.6 Å²	145.6	91%	0.909	73%	0.729	S	S	*	*			trans	-73.1	115.7	165.6	-85.8	-172.6	174.1	-175	0	109.6	F330	F330-K332 PolarHBondContact O-N 3.26Å
333	K	23.7	Very low	29.5	Very low	193 Å²	193	146.6 Å²	146.6	84%	0.839	75%	0.745	S	S	*	*			trans	-69.6	159.7	163.6	-87.1	-179.3	170.4	178.7	0	111	P331	P331-K333 PolarHBondContact O-N 3.17Å
334	I	24.5	Very low	28.7	Very low	152 Å²	152	148.8 Å²	148.8	78%	0.779	75%	0.754	S	S	*	*			trans	88.5	100.6	170	-51.2	168	0	0	0	112.9
335	S	22.7	Very low	27.6	Very low	97 Å²	97	150.7 Å²	150.7	68%	0.678	76%	0.762	S	S	*	*				58.1	136.7	85.6	116.2	0	0	0	0	111.8
336	T	22.1	Very low	26.8	Very low	116 Å²	116	150.2 Å²	150.2	71%	0.712	77%	0.769	S	S	*	*			cis	-168.5	165.7	13.2	2.8	0	0	0	0	107.3
337	N	23.4	Very low	26	Very low	142 Å²	142	151 Å²	151	76%	0.759	78%	0.779	S	S	*	*			trans	89.6	89.4	159.1	-62.3	-4.3	0	0	0	120.2
338	S	20	Very low	25.3	Very low	103 Å²	103	152.5 Å²	152.5	72%	0.72	79%	0.786	S	S	*	*				1.2	128.1	124.4	55.9	0	0	0	0	119.2
339	T	22.8	Very low	24.3	Very low	142 Å²	142	152.1 Å²	152.1	87%	0.871	79%	0.789	S	S	*	*				-147.8	111.9	125.7	33.4	0	0	0	0	109.6
340	K	19.3	Very low	23.5	Very low	210 Å²	210	153.6 Å²	153.6	91%	0.913	80%	0.796	S	S	*	*			trans	-67.8	125.8	162	-72.2	172.5	175.3	174.2	0	108.2
341	K	20.9	Very low	22.8	Very low	211 Å²	211	154 Å²	154	92%	0.917	80%	0.804	S	S	*	*			trans	-135.1	95.5	151.6	-91.4	-173.8	178.4	176.3	0	109.5
342	S	18	Very low	22.4	Very low	112 Å²	112	155.4 Å²	155.4	78%	0.783	81%	0.805	S	S	*	*			trans	-78.9	126.9	151.2	157.5	0	0	0	0	107.1
343	S	21.4	Very low	21.9	Very low	111 Å²	111	154.4 Å²	154.4	78%	0.776	80%	0.801	S	S	*	*			trans	-172.8	104.2	148.6	-80.3	0	0	0	0	111.6
344	K	21	Very low	21.8	Very low	198 Å²	198	153.1 Å²	153.1	86%	0.861	80%	0.803	S	S	*	*			trans	36.8	120.4	134.8	-68.4	176.6	178.3	174.4	0	120.7
345	K	19.6	Very low	21.8	Very low	195 Å²	195	150.6 Å²	150.6	85%	0.848	80%	0.798	S	S	*	*				17.3	114.9	127.9	-77.1	179.9	172.7	179.4	0	117
346	I	22.8	Very low	21.8	Very low	155 Å²	155	153.5 Å²	153.5	80%	0.795	81%	0.806	S	S	*	*			trans	-132.5	114.9	139.3	-66.6	-179	0	0	0	107.6
347	N	20.5	Very low	21.8	Very low	150 Å²	150	155.3 Å²	155.3	80%	0.802	81%	0.811	S	S	*	*			trans	-64.7	125.9	163.9	-75.7	-17	0	0	0	108.5
348	K	25.4	Very low	21.8	Very low	200 Å²	200	156.2 Å²	156.2	87%	0.87	81%	0.81	S	S	*	*			trans	-124.1	126.6	154.8	-90.6	-174.1	177.9	178.7	0	109.6
349	T	22.4	Very low	22.1	Very low	125 Å²	125	156.3 Å²	156.3	77%	0.767	81%	0.811	S	S	*	*			trans	-65.8	134.2	-171.5	-47.1	0	0	0	0	112.7
350	I	21.4	Very low	22.2	Very low	141 Å²	141	155.2 Å²	155.2	72%	0.723	80%	0.798	S	S	*	*			trans	10.1	113.2	142.3	-53	168	0	0	0	116.1
351	I	23.6	Very low	22.6	Very low	157 Å²	157	152.3 Å²	152.3	81%	0.805	79%	0.791	S	S	*	*			trans	-130	101.7	137.5	-64.8	-177.2	0	0	0	107.2	K353	I351-K353 PolarHBondContact O-N 3.16Å
352	N	21.2	Very low	22.8	Very low	145 Å²	145	148.7 Å²	148.7	78%	0.775	78%	0.782	S	S	*	*			trans	-65.9	116	157.1	-100.3	-6	0	0	0	107.9
353	K	22.7	Very low	23.2	Very low	188 Å²	188	148.5 Å²	148.5	82%	0.817	77%	0.772	S	S	*	*			trans	-135.8	109.8	148.4	-90.1	-171.6	177.1	178	0	108.6	I351 S355	I351-K353 PolarHBondContact O-N 3.16Å; K353-S355 PolarHBondContact O-N 2.96Å; K353-S355 VanDerWaalsContact O-N 3.16Å
354	N	22	Very low	23.7	Very low	166 Å²	166	148.9 Å²	148.9	89%	0.888	77%	0.77	S	S	*	*			trans	-49.2	113.3	160.7	-67.1	-24.1	0	0	0	108.9
355	S	24.5	Very low	24.3	Very low	98 Å²	98	144 Å²	144	69%	0.685	76%	0.761	S	S	*	*			trans	-152.3	102.1	159.8	-178.9	0	0	0	0	107.2	K353 N357	K353-S355 PolarHBondContact O-N 2.96Å; K353-S355 VanDerWaalsContact O-N 3.16Å; S355-N357 PolarHBondContact O-N 2.81Å
356	L	23.2	Very low	24.8	Very low	158 Å²	158	137.2 Å²	137.2	83%	0.827	74%	0.738	S	S	*	*			trans	-33.4	124.5	153.8	-130.4	73.8	0	0	0	109.8
357	N	22.9	Very low	25.1	Very low	155 Å²	155	135.2 Å²	135.2	83%	0.829	73%	0.729	S	S	*	*			trans	-145.8	109.5	151.1	-102.2	-13.5	0	0	0	108.5	S355 S359	S355-N357 PolarHBondContact O-N 2.81Å; N357-S359 PolarHBondContact O-N 3.21Å
358	H	22.8	Very low	25.6	Very low	160 Å²	160	133.2 Å²	133.2	74%	0.741	72%	0.718	S	S	*	*			trans	-42.1	115.6	163.2	-103.9	-106.7	0	0	0	110.8	I360	H358-I360 HydrophobicContact CB-CG1 4.45Å; H358-I360 VanDerWaalsContact ND1-CG1 3.27Å; H358-I360 WeakPolarHBondContact ND1-CG1 3.36Å
359	S	26.6	Very low	26	Very low	105 Å²	105	128.8 Å²	128.8	73%	0.734	70%	0.703	S	S	*	*			trans	-114	88.8	151	64.3	0	0	0	0	107.3	N357 I361	N357-S359 PolarHBondContact O-N 3.21Å; S359-I361 PolarHBondContact O-N 3.04Å
360	I	24.4	Very low	26.7	Very low	119 Å²	119	127.3 Å²	127.3	61%	0.61	69%	0.689	S	S	*	*			trans	-59.7	110.6	169.6	-63.1	168.6	0	0	0	107	H358 N362	H358-I360 HydrophobicContact CB-CG1 4.45Å; H358-I360 VanDerWaalsContact ND1-CG1 3.27Å; H358-I360 WeakPolarHBondContact ND1-CG1 3.36Å; I360-N362 WeakPolarHBondContact CG2-OD1 3.31Å
361	I	28.5	Very low	27.3	Very low	149 Å²	149	126.8 Å²	126.8	76%	0.764	68%	0.684	S	S	*	*			trans	-107.1	109.4	161	-66	178.1	0	0	0	105.6	S359 D363	S359-I361 PolarHBondContact O-N 3.04Å; I361-D363 PolarHBondContact O-N 3.02Å
362	N	23.8	Very low	27.7	Very low	135 Å²	135	126.2 Å²	126.2	72%	0.722	68%	0.678	S	S	*	*			trans	-62.9	109.5	-179.4	-73.2	-28.1	0	0	0	110.9	I360	I360-N362 WeakPolarHBondContact CG2-OD1 3.31Å
363	D	26.6	Very low	28.3	Very low	108 Å²	108	126.8 Å²	126.8	58%	0.578	67%	0.67	S	S	*	*			trans	-128.7	96.8	154.3	-86.9	-33.8	0	0	0	107.5	I361 S365 S366	I361-D363 PolarHBondContact O-N 3.02Å; D363-S365 PolarHBondContact O-N 2.94Å; D363-S366 PolarHBondContact O-N 3.38Å; D363-S366 PolarHBondContact O-OG 3.36Å
364	T	31.5	Very low	28.6	Very low	120 Å²	120	122.2 Å²	122.2	74%	0.736	66%	0.655	S	S	*	*	H	α-helix	trans	-61.7	-0.5	-179	26.9	0	0	0	0	114.4
365	S	33.2	Very low	28.9	Very low	94 Å²	94	119.8 Å²	119.8	66%	0.657	64%	0.641	S	S	*	*	H	α-helix	trans	-86	-21.4	171.1	67	0	0	0	0	114	D363	D363-S365 PolarHBondContact O-N 2.94Å
366	S	30.8	Very low	29.4	Very low	54 Å²	54	121.5 Å²	121.5	38%	0.378	64%	0.637	S	S	.	*	H	α-helix	trans	-83.3	-24.3	179.4	59.9	0	0	0	0	113.5	D363 L369 I370	D363-S366 PolarHBondContact O-N 3.38Å; D363-S366 PolarHBondContact O-OG 3.36Å; S366-L369 PolarHBondContact O-N 3.43Å; S366-I370 WeakPolarHBondContact O-CG1 3.45Å; S366-I370 PolarHBondContact O-N 3.5Å; S366-I370 VanDerWaalsContact O-N 3.11Å
367	L	29	Very low	29.7	Very low	113 Å²	113	117.6 Å²	117.6	59%	0.592	62%	0.617	S	S	*	*	H	α-helix	trans	-64.7	-41.5	-179.9	-97.4	139.5	0	0	0	112.7	L369 I370 E371	L367-L369 VanDerWaalsContact C-N 3.26Å; L367-L369 PolarHBondContact O-N 2.8Å; L367-I370 PolarHBondContact O-N 3.4Å; L367-E371 WeakPolarHBondContact O-CB 3.41Å; L367-E371 PolarHBondContact O-N 3.3Å
368	N	30.8	Very low	30.1	Very low	108 Å²	108	115.3 Å²	115.3	58%	0.578	60%	0.601	S	S	*	*	H	α-helix	trans	-67.1	-26.1	178	-72.7	-3.8	0	0	0	113.3	Q372	N368-Q372 PolarHBondContact O-N 3.14Å
369	L	35	Very low	30.4	Very low	106 Å²	106	112.1 Å²	112.1	56%	0.555	59%	0.589	S	S	*	*	H	α-helix	trans	-81.1	-34.3	176	-74.7	170.2	0	0	0	112.1	S366 L367 Y373	S366-L369 PolarHBondContact O-N 3.43Å; L367-L369 VanDerWaalsContact C-N 3.26Å; L367-L369 PolarHBondContact O-N 2.8Å; L369-Y373 VanDerWaalsContact O-CB 3.31Å; L369-Y373 WeakPolarHBondContact O-CB 3.46Å; L369-Y373 PolarHBondContact O-N 3.13Å
370	I	35.9	Very low	30.7	Very low	94 Å²	94	110.7 Å²	110.7	48%	0.482	57%	0.573	S	S	.	*	H	α-helix	trans	-69.8	-39.2	174.9	-66.8	167.3	0	0	0	110.2	S366 L367 Y373 N374	S366-I370 WeakPolarHBondContact O-CG1 3.45Å; S366-I370 PolarHBondContact O-N 3.5Å; S366-I370 VanDerWaalsContact O-N 3.11Å; L367-I370 PolarHBondContact O-N 3.4Å; I370-Y373 PolarHBondContact O-N 3.4Å; I370-N374 WeakPolarHBondContact O-CB 3.24Å; I370-N374 PolarHBondContact O-N 3.15Å
371	E	33.3	Very low	30.8	Very low	131 Å²	131	111.3 Å²	111.3	61%	0.612	57%	0.572	S	S	*	*	H	α-helix	trans	-66.9	-41.6	177.5	-155	167.2	-146.8	0	0	111.5	L367 Y373 N374 L375	L367-E371 WeakPolarHBondContact O-CB 3.41Å; L367-E371 PolarHBondContact O-N 3.3Å; E371-Y373 VanDerWaalsContact C-N 3.34Å; E371-Y373 PolarHBondContact O-N 3.35Å; E371-N374 PolarHBondContact O-N 3Å; E371-L375 WeakPolarHBondContact O-CB 3.41Å; E371-L375 PolarHBondContact O-N 3.28Å
372	Q	32.6	Very low	30.9	Very low	145 Å²	145	109.8 Å²	109.8	68%	0.678	56%	0.564	S	S	*	*	H	α-helix	trans	-64.5	-35	171.2	-83.4	-172.4	-10.4	0	0	113.2	N368 F376	N368-Q372 PolarHBondContact O-N 3.14Å; Q372-F376 VanDerWaalsContact O-CB 3.26Å; Q372-F376 WeakPolarHBondContact O-CB 3.43Å; Q372-F376 PolarHBondContact O-N 2.96Å
373	Y	33.1	Very low	31	Very low	157 Å²	157	110.2 Å²	110.2	62%	0.616	57%	0.566	S	S	*	*	H	α-helix	trans	-72.5	-37.1	178.4	-160.2	-98.6	0	0	0	112.2	L369 I370 E371 F376 N377	L369-Y373 VanDerWaalsContact O-CB 3.31Å; L369-Y373 WeakPolarHBondContact O-CB 3.46Å; L369-Y373 PolarHBondContact O-N 3.13Å; I370-Y373 PolarHBondContact O-N 3.4Å; E371-Y373 VanDerWaalsContact C-N 3.34Å; E371-Y373 PolarHBondContact O-N 3.35Å; Y373-F376 PolarHBondContact O-N 2.99Å; Y373-N377 PolarHBondContact O-N 3.24Å
374	N	30.2	Very low	31.1	Very low	92 Å²	92	112.1 Å²	112.1	49%	0.492	57%	0.573	S	S	.	*	H	α-helix	trans	-72.3	-40	175.9	-72.3	-17	0	0	0	111.7	I370 E371 F376 N377 E378	I370-N374 WeakPolarHBondContact O-CB 3.24Å; I370-N374 PolarHBondContact O-N 3.15Å; E371-N374 PolarHBondContact O-N 3Å; N374-F376 VanDerWaalsContact C-N 3.28Å; N374-F376 PolarHBondContact O-N 2.57Å; N374-N377 PolarHBondContact O-N 3.41Å; N374-E378 PolarHBondContact O-N 3.43Å
375	L	27.6	Very low	30.9	Very low	115 Å²	115	111.9 Å²	111.9	60%	0.602	57%	0.567	S	S	*	*	H	α-helix	trans	-64.1	-35	173.7	-138.6	95.6	0	0	0	111.7	E371 N379	E371-L375 WeakPolarHBondContact O-CB 3.41Å; E371-L375 PolarHBondContact O-N 3.28Å; L375-N379 WeakPolarHBondContact O-CB 3.39Å; L375-N379 PolarHBondContact O-N 3.49Å; L375-N379 VanDerWaalsContact O-N 3.09Å; L375-N379 PolarHBondContact O-ND2 3.32Å
376	F	34.9	Very low	30.5	Very low	134 Å²	134	110.5 Å²	110.5	59%	0.588	57%	0.568	S	S	*	*	H	α-helix	trans	-70.8	-34.2	176.4	-158.8	-96	0	0	0	112.3	Q372 Y373 N374 N380	Q372-F376 VanDerWaalsContact O-CB 3.26Å; Q372-F376 WeakPolarHBondContact O-CB 3.43Å; Q372-F376 PolarHBondContact O-N 2.96Å; Y373-F376 PolarHBondContact O-N 2.99Å; N374-F376 VanDerWaalsContact C-N 3.28Å; N374-F376 PolarHBondContact O-N 2.57Å; F376-N380 WeakPolarHBondContact CD1-ND2 3.45Å; F376-N380 WeakPolarHBondContact CE1-ND2 3.22Å; F376-N380 PolarHBondContact O-N 3.27Å; F376-N380 PolarHBondContact O-ND2 3Å
377	N	31	Very low	30.4	Very low	76 Å²	76	116.5 Å²	116.5	41%	0.406	59%	0.59	S	S	.	*	H	α-helix	trans	-76.6	-35	175.2	-80.5	-17.2	0	0	0	113.1	Y373 N374 N380 K381	Y373-N377 PolarHBondContact O-N 3.24Å; N374-N377 PolarHBondContact O-N 3.41Å; N377-N380 PolarHBondContact O-N 3.2Å; N377-K381 WeakPolarHBondContact O-CB 3.35Å; N377-K381 PolarHBondContact O-N 2.87Å
378	E	31.3	Very low	30.2	Very low	106 Å²	106	115.4 Å²	115.4	50%	0.495	59%	0.592	S	S	.	*	H	α-helix	trans	-64.4	-43.8	172.7	-84.5	-67	134.2	0	0	111.5	N374 N380 K381 L382	N374-E378 PolarHBondContact O-N 3.43Å; E378-N380 VanDerWaalsContact C-N 3.3Å; E378-N380 PolarHBondContact O-N 3.23Å; E378-K381 WeakPolarHBondContact O-CB 3.44Å; E378-K381 PolarHBondContact O-N 3.26Å; E378-K381 VanDerWaalsContact O-N 3.12Å; E378-L382 PolarHBondContact O-N 2.88Å
379	N	29.1	Very low	29.9	Very low	94 Å²	94	117.3 Å²	117.3	50%	0.503	60%	0.602	S	S	.	*	H	α-helix	trans	-63.9	-34.9	175.8	-76	-19.1	0	0	0	112.6	L375 L383	L375-N379 WeakPolarHBondContact O-CB 3.39Å; L375-N379 PolarHBondContact O-N 3.49Å; L375-N379 VanDerWaalsContact O-N 3.09Å; L375-N379 PolarHBondContact O-ND2 3.32Å; N379-L383 WeakPolarHBondContact O-CB 3.49Å; N379-L383 PolarHBondContact O-N 3.43Å
380	N	31.2	Very low	29.4	Very low	74 Å²	74	120.3 Å²	120.3	40%	0.396	62%	0.617	S	S	.	*	H	α-helix	trans	-74.5	-27.7	174.6	-72.8	-39.1	0	0	0	113	F376 N377 E378 M384	F376-N380 WeakPolarHBondContact CD1-ND2 3.45Å; F376-N380 WeakPolarHBondContact CE1-ND2 3.22Å; F376-N380 PolarHBondContact O-N 3.27Å; F376-N380 PolarHBondContact O-ND2 3Å; N377-N380 PolarHBondContact O-N 3.2Å; E378-N380 VanDerWaalsContact C-N 3.3Å; E378-N380 PolarHBondContact O-N 3.23Å; N380-M384 WeakPolarHBondContact O-CB 3.32Å; N380-M384 WeakPolarHBondContact O-CG 3.49Å; N380-M384 PolarHBondContact O-N 2.87Å; N380-M384 VanDerWaalsContact O-N 3.16Å
381	K	28.1	Very low	28.9	Very low	132 Å²	132	121.1 Å²	121.1	57%	0.574	63%	0.626	S	S	*	*	H	α-helix	trans	-71.1	-40.8	171.7	-116.9	179.8	176.9	-177.8	0	111.9	N377 E378 M384 N385	N377-K381 WeakPolarHBondContact O-CB 3.35Å; N377-K381 PolarHBondContact O-N 2.87Å; E378-K381 WeakPolarHBondContact O-CB 3.44Å; E378-K381 PolarHBondContact O-N 3.26Å; E378-K381 VanDerWaalsContact O-N 3.12Å; K381-M384 PolarHBondContact O-N 2.84Å; K381-N385 WeakPolarHBondContact O-CB 3.23Å; K381-N385 PolarHBondContact O-N 3.15Å
382	L	28.7	Very low	28.3	Very low	117 Å²	117	122.9 Å²	122.9	61%	0.613	64%	0.64	S	S	*	*	H	α-helix	trans	-67.7	-38.3	175.3	-83.9	158.4	0	0	0	112	E378 M384 G386	E378-L382 PolarHBondContact O-N 2.88Å; L382-M384 VanDerWaalsContact C-N 3.34Å; L382-M384 PolarHBondContact O-N 3.13Å; L382-G386 PolarHBondContact O-N 3.44Å
383	L	27.3	Very low	27.9	Very low	144 Å²	144	122.1 Å²	122.1	75%	0.754	65%	0.646	S	S	*	*	H	α-helix	trans	-69.8	-30	176.5	-141	86.7	0	0	0	112.8	N379	N379-L383 WeakPolarHBondContact O-CB 3.49Å; N379-L383 PolarHBondContact O-N 3.43Å
384	M	28.3	Very low	27.3	Very low	148 Å²	148	120.6 Å²	120.6	73%	0.729	65%	0.653	S	S	*	*	H	α-helix	trans	-82	-29.9	176.9	-76.7	-71.1	177.9	0	0	113.4	N380 K381 L382 G386	N380-M384 WeakPolarHBondContact O-CB 3.32Å; N380-M384 WeakPolarHBondContact O-CG 3.49Å; N380-M384 PolarHBondContact O-N 2.87Å; N380-M384 VanDerWaalsContact O-N 3.16Å; K381-M384 PolarHBondContact O-N 2.84Å; L382-M384 VanDerWaalsContact C-N 3.34Å; L382-M384 PolarHBondContact O-N 3.13Å; M384-G386 VanDerWaalsContact C-N 3.35Å
385	N	26.9	Very low	27	Very low	115 Å²	115	123.3 Å²	123.3	62%	0.615	67%	0.667	S	S	*	*	H	α-helix	trans	-83.5	-8.2	178.1	-75.2	-1	0	0	0	113.9	K381 Q387	K381-N385 WeakPolarHBondContact O-CB 3.23Å; K381-N385 PolarHBondContact O-N 3.15Å; N385-Q387 VanDerWaalsContact C-N 3.27Å; N385-Q387 PolarHBondContact O-N 3.46Å
386	G	25	Very low	26.7	Very low	65 Å²	65	124.3 Å²	124.3	67%	0.67	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-10.3	175.8	0	0	0	0	0	115	L382 M384	L382-G386 PolarHBondContact O-N 3.44Å; M384-G386 VanDerWaalsContact C-N 3.35Å
387	Q	28.4	Very low	26.3	Very low	180 Å²	180	125.5 Å²	125.5	84%	0.841	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.6	60.5	-178	-73.1	-178.7	-25.5	0	0	111.3	N385	N385-Q387 VanDerWaalsContact C-N 3.27Å; N385-Q387 PolarHBondContact O-N 3.46Å
388	S	26.2	Very low	25.9	Very low	91 Å²	91	128.5 Å²	128.5	64%	0.636	71%	0.705	S	S	*	*			trans	178.1	59.5	155	43	0	0	0	0	111.9
389	N	22.7	Very low	25.3	Very low	148 Å²	148	129.2 Å²	129.2	79%	0.791	72%	0.717	S	S	*	*			trans	-122	44.7	160.6	-92.3	-9.5	0	0	0	110.1	T391	N389-T391 VanDerWaalsContact C-N 3.3Å; N389-T391 PolarHBondContact O-N 2.8Å
390	I	25.3	Very low	25	Very low	168 Å²	168	130.2 Å²	130.2	86%	0.862	73%	0.726	S	S	*	*			trans	-81.4	95.6	154.2	-61	177.7	0	0	0	104.9
391	T	24.8	Very low	24.6	Very low	111 Å²	111	132.9 Å²	132.9	68%	0.681	74%	0.741	S	S	*	*			trans	-41.6	134.5	175.6	36	0	0	0	0	112.7	N389 T393	N389-T391 VanDerWaalsContact C-N 3.3Å; N389-T391 PolarHBondContact O-N 2.8Å; T391-T393 PolarHBondContact O-N 3.35Å
392	N	22.3	Very low	24.4	Very low	169 Å²	169	133.5 Å²	133.5	90%	0.904	75%	0.751	S	S	*	*			trans	-42	105.4	163.3	-66.1	-32.5	0	0	0	111.5
393	T	22.9	Very low	24.2	Very low	129 Å²	129	133.3 Å²	133.3	79%	0.791	75%	0.754	S	S	*	*			trans	-116.9	107.2	154.4	-4.8	0	0	0	0	107.2	T391 N395	T391-T393 PolarHBondContact O-N 3.35Å; T393-N395 PolarHBondContact O-N 2.86Å
394	T	21.7	Very low	24	Very low	124 Å²	124	132.8 Å²	132.8	76%	0.761	76%	0.757	S	S	*	*			trans	-46.4	122.2	161.9	42.7	0	0	0	0	110
395	N	23.4	Very low	23.8	Very low	150 Å²	150	135.6 Å²	135.6	80%	0.802	76%	0.761	S	S	*	*			trans	-172	113.9	139.2	-89	-17.9	0	0	0	110.1	T393	T393-N395 PolarHBondContact O-N 2.86Å
396	T	21	Very low	23.6	Very low	135 Å²	135	136.1 Å²	136.1	83%	0.828	76%	0.764	S	S	*	*			trans	-38.8	127.1	150	19	0	0	0	0	112
397	I	26.5	Very low	23.8	Very low	160 Å²	160	140.2 Å²	140.2	82%	0.821	77%	0.771	S	S	*	*			trans	-163	114.4	140.9	-87.5	140.1	0	0	0	108.8
398	N	22.2	Very low	23.7	Very low	138 Å²	138	138.2 Å²	138.2	74%	0.738	77%	0.765	S	S	*	*			trans	13.2	126.9	141.5	-69.4	-11.9	0	0	0	121.8
399	T	20	Very low	23.7	Very low	121 Å²	121	141 Å²	141	74%	0.742	77%	0.773	S	S	*	*			trans	54.2	142.6	131.2	54.8	0	0	0	0	123
400	T	22.1	Very low	24	Very low	115 Å²	115	141.3 Å²	141.3	71%	0.706	78%	0.775	S	S	*	*			trans	90.2	111.2	151.7	45	0	0	0	0	120.7
401	N	23.1	Very low	24.2	Very low	131 Å²	131	143 Å²	143	70%	0.701	78%	0.779	S	S	*	*			trans	86.1	128	131.3	-66.6	-8.9	0	0	0	121.1
402	N	23.9	Very low	24.5	Very low	145 Å²	145	145.6 Å²	145.6	78%	0.775	79%	0.788	S	S	*	*			trans	74.3	135.3	145.4	-62.5	-12.8	0	0	0	115.8
403	T	24.8	Very low	25	Very low	112 Å²	112	145.9 Å²	145.9	69%	0.687	79%	0.786	S	S	*	*			cis	-155.5	140.8	18.4	29.4	0	0	0	0	109.1	Y405	T403-Y405 PolarHBondContact O-N 3.41Å
404	T	22.5	Very low	25.5	Very low	134 Å²	134	147.2 Å²	147.2	82%	0.822	79%	0.789	S	S	*	*			trans	-77.3	99	175.2	-29.3	0	0	0	0	110	N406	T404-N406 PolarHBondContact O-N 3.45Å
405	Y	24.5	Very low	26.5	Very low	206 Å²	206	146.9 Å²	146.9	81%	0.808	78%	0.781	S	S	*	*			trans	-81.7	101.6	169	-107.9	-86	0	0	0	109.9	T403 N407	T403-Y405 PolarHBondContact O-N 3.41Å; Y405-N407 PolarHBondContact O-N 3.23Å
406	N	22.9	Very low	27.8	Very low	127 Å²	127	143.7 Å²	143.7	68%	0.679	76%	0.764	S	S	*	*			trans	-68.6	98.9	170.2	-86.2	-19	0	0	0	110.5	T404 N408	T404-N406 PolarHBondContact O-N 3.45Å; N406-N408 PolarHBondContact O-N 3.3Å
407	N	27.7	Very low	29.4	Very low	151 Å²	151	144.8 Å²	144.8	81%	0.807	75%	0.754	S	S	*	*			trans	-93.7	88	164.5	-93.3	-13.2	0	0	0	109.9	Y405 N409	Y405-N407 PolarHBondContact O-N 3.23Å; N407-N409 VanDerWaalsContact C-N 3.35Å; N407-N409 PolarHBondContact O-N 2.87Å
408	N	27.2	Very low	30.9	Very low	137 Å²	137	142.2 Å²	142.2	73%	0.733	74%	0.742	S	S	*	*			trans	-86	25.6	-177	-98.7	3	0	0	0	115.4	N406	N406-N408 PolarHBondContact O-N 3.3Å
409	N	26.9	Very low	32.7	Very low	150 Å²	150	139.6 Å²	139.6	80%	0.802	73%	0.728	S	S	*	*	S	Bend	trans	-117.3	8.5	-170.8	-78.8	-10.7	0	0	0	118.1	N407	N407-N409 VanDerWaalsContact C-N 3.35Å; N407-N409 PolarHBondContact O-N 2.87Å
410	N	28.3	Very low	34.6	Very low	154 Å²	154	135.7 Å²	135.7	82%	0.824	71%	0.706	S	S	*	*			trans	-123.5	19.1	-178.7	-75.2	-12.6	0	0	0	116.4	L412	N410-L412 PolarHBondContact O-N 3.48Å; N410-L412 VanDerWaalsContact O-N 3.1Å
411	E	30	Very low	36.4	Very low	203 Å²	203	135 Å²	135	95%	0.949	69%	0.691	S	S	*	*			trans	-72.8	4.7	178	-92.8	-169.4	156.3	0	0	115.5
412	L	31.2	Very low	38.3	Very low	167 Å²	167	135.3 Å²	135.3	87%	0.874	69%	0.686	S	S	*	*	S	Bend	trans	-116.5	62.8	-178.5	-157.8	81.9	0	0	0	113.4	N410	N410-L412 PolarHBondContact O-N 3.48Å; N410-L412 VanDerWaalsContact O-N 3.1Å
413	M	33	Very low	40.2	Very low	174 Å²	174	133.9 Å²	133.9	86%	0.857	68%	0.677	S	S	*	*	S	Bend	trans	163.9	63.3	150.5	-93.7	-84.4	-146.1	0	0	111.3
414	N	33.4	Very low	41.9	Very low	158 Å²	158	130.1 Å²	130.1	85%	0.845	65%	0.652	S	S	*	*			trans	-131.3	51	163.5	-142.5	1.4	0	0	0	110.6	N416	N414-N416 PolarHBondContact O-N 3.39Å; N414-N416 VanDerWaalsContact O-N 3.08Å
415	I	41.4	Very low	43.8	Very low	117 Å²	117	125 Å²	125	60%	0.6	62%	0.62	S	S	*	*			trans	-69.2	104.6	159.9	-59.8	176.4	0	0	0	105.1	Y417 D419 S420	I415-Y417 PolarHBondContact O-N 2.87Å; I415-D419 HydrophobicContact CG2-CB 4.28Å; I415-S420 WeakPolarHBondContact CG2-OG 3.36Å
416	N	52.1	Low	45.8	Very low	83 Å²	83	120 Å²	120	44%	0.444	61%	0.607	S	S	.	*			trans	-46.7	127.5	176.7	-169.5	-14.2	0	0	0	109.2	N414 N418 D419 S420	N414-N416 PolarHBondContact O-N 3.39Å; N414-N416 VanDerWaalsContact O-N 3.08Å; N416-N418 PolarHBondContact O-N 2.96Å; N416-N418 PolarHBondContact OD1-N 3.05Å; N416-D419 WeakPolarHBondContact O-CA 3.38Å; N416-D419 WeakPolarHBondContact O-CB 3.5Å; N416-D419 PolarHBondContact O-N 3.18Å; N416-S420 PolarHBondContact O-N 2.95Å
417	Y	53	Low	47.8	Very low	157 Å²	157	118.7 Å²	118.7	62%	0.616	60%	0.596	S	S	*	*	H	α-helix	trans	-51	-32.8	-178.2	-177.3	-92.2	0	0	0	111.8	I415 D419 S420 Y421	I415-Y417 PolarHBondContact O-N 2.87Å; Y417-D419 PolarHBondContact O-N 2.94Å; Y417-S420 PolarHBondContact O-N 3.42Å; Y417-Y421 WeakPolarHBondContact O-CB 3.39Å; Y417-Y421 PolarHBondContact O-N 2.95Å
418	N	57.9	Low	49.6	Very low	107 Å²	107	112.7 Å²	112.7	57%	0.572	56%	0.561	S	S	*	*	H	α-helix	trans	-61.7	-38.8	174.1	-72.3	-20	0	0	0	113.6	N416 K422	N416-N418 PolarHBondContact O-N 2.96Å; N416-N418 PolarHBondContact OD1-N 3.05Å; N418-K422 VanDerWaalsContact O-CB 3.3Å; N418-K422 WeakPolarHBondContact O-CB 3.32Å; N418-K422 PolarHBondContact O-N 3.29Å
419	D	61.4	Low	51.4	Low	82 Å²	82	108.9 Å²	108.9	44%	0.439	54%	0.541	S	S	.	.	H	α-helix	trans	-70.1	-43.7	177.4	-70.5	-33.5	0	0	0	110.9	I415 N416 Y417 Y421 K422 I423	I415-D419 HydrophobicContact CG2-CB 4.28Å; N416-D419 WeakPolarHBondContact O-CA 3.38Å; N416-D419 WeakPolarHBondContact O-CB 3.5Å; N416-D419 PolarHBondContact O-N 3.18Å; Y417-D419 PolarHBondContact O-N 2.94Å; D419-Y421 PolarHBondContact O-N 3.31Å; D419-K422 PolarHBondContact O-N 3.48Å; D419-I423 WeakPolarHBondContact O-CB 3.27Å; D419-I423 WeakPolarHBondContact O-CD1 3.4Å; D419-I423 VanDerWaalsContact O-CG1 3.23Å; D419-I423 WeakPolarHBondContact O-CG1 3.27Å; D419-I423 PolarHBondContact O-N 3.46Å
420	S	59.9	Low	53.7	Low	40 Å²	40	105 Å²	105	28%	0.28	52%	0.521	S	S	.	.	H	α-helix	trans	-58.8	-47.3	174.2	-72.2	0	0	0	0	111.5	I415 N416 Y417 K422 I423 I424	I415-S420 WeakPolarHBondContact CG2-OG 3.36Å; N416-S420 PolarHBondContact O-N 2.95Å; Y417-S420 PolarHBondContact O-N 3.42Å; S420-K422 PolarHBondContact O-N 3.31Å; S420-I423 PolarHBondContact O-N 3.12Å; S420-I424 WeakPolarHBondContact O-CD1 3.33Å; S420-I424 WeakPolarHBondContact O-CG1 3.4Å; S420-I424 PolarHBondContact O-N 3.48Å
421	Y	59.6	Low	56	Low	99 Å²	99	102.5 Å²	102.5	39%	0.388	51%	0.513	S	S	.	.	H	α-helix	trans	-59.8	-45.3	177.1	-175.3	-97.7	0	0	0	112.1	F180 Y417 D419 I424 N425	F180-Y421 HydrophobicContact CZ-CD2 4.41Å; Y417-Y421 WeakPolarHBondContact O-CB 3.39Å; Y417-Y421 PolarHBondContact O-N 2.95Å; D419-Y421 PolarHBondContact O-N 3.31Å; Y421-I424 PolarHBondContact O-N 3.31Å; Y421-N425 WeakPolarHBondContact CE1-ND2 3.36Å; Y421-N425 WeakPolarHBondContact O-CB 3.3Å; Y421-N425 PolarHBondContact O-N 3.47Å; Y421-N425 PolarHBondContact OH-ND2 2.79Å; Y421-N425 VanDerWaalsContact OH-ND2 3.14Å
422	K	61.9	Low	58.4	Low	138 Å²	138	94.5 Å²	94.5	60%	0.6	48%	0.479	S	S	*	.	H	α-helix	trans	-64.8	-42.9	179.6	-168.6	176.2	-177	178.2	0	112.4	N418 D419 S420 N426	N418-K422 VanDerWaalsContact O-CB 3.3Å; N418-K422 WeakPolarHBondContact O-CB 3.32Å; N418-K422 PolarHBondContact O-N 3.29Å; D419-K422 PolarHBondContact O-N 3.48Å; S420-K422 PolarHBondContact O-N 3.31Å; K422-N426 WeakPolarHBondContact O-CB 3.3Å; K422-N426 PolarHBondContact O-N 2.94Å; K422-N426 VanDerWaalsContact O-N 3.07Å; K422-N426 PolarHBondContact O-ND2 3.35Å
423	I	65	Low	60.9	Low	116 Å²	116	88 Å²	88	60%	0.595	44%	0.444	S	S	*	.	H	α-helix	trans	-62.2	-44.5	177	-68.9	165.1	0	0	0	110.7	D419 S420 N426 K427	D419-I423 WeakPolarHBondContact O-CB 3.27Å; D419-I423 WeakPolarHBondContact O-CD1 3.4Å; D419-I423 VanDerWaalsContact O-CG1 3.23Å; D419-I423 WeakPolarHBondContact O-CG1 3.27Å; D419-I423 PolarHBondContact O-N 3.46Å; S420-I423 PolarHBondContact O-N 3.12Å; I423-N426 WeakPolarHBondContact O-CB 3.22Å; I423-N426 PolarHBondContact O-N 2.79Å; I423-K427 PolarHBondContact O-N 2.95Å; I423-K427 VanDerWaalsContact O-N 3.1Å
424	I	60.8	Low	63.5	Low	32 Å²	32	85 Å²	85	16%	0.164	43%	0.426	C	S	.	.	H	α-helix	trans	-72.8	-42.6	-175.9	-62.8	162.9	0	0	0	111.9	P179 F180 I182 S420 Y421 N426 K427 R428	P179-I424 HydrophobicContact CB-CG2 3.45Å; P179-I424 VanDerWaalsContact CB-CG2 3.45Å; F180-I424 HydrophobicContact CD1-CD1 3.49Å; F180-I424 VanDerWaalsContact CD1-CD1 3.49Å; F180-I424 HydrophobicContact CE1-CD1 3.7Å; I182-I424 HydrophobicContact CD1-CG2 4.48Å; S420-I424 WeakPolarHBondContact O-CD1 3.33Å; S420-I424 WeakPolarHBondContact O-CG1 3.4Å; S420-I424 PolarHBondContact O-N 3.48Å; Y421-I424 PolarHBondContact O-N 3.31Å; I424-N426 VanDerWaalsContact C-N 3.26Å; I424-N426 PolarHBondContact O-N 3.29Å; I424-K427 WeakPolarHBondContact O-CB 3.49Å; I424-K427 PolarHBondContact O-N 3.44Å; I424-K427 VanDerWaalsContact O-N 3.07Å; I424-R428 PolarHBondContact O-N 3.36Å
425	N	62.6	Low	66.3	Low	27 Å²	27	78.5 Å²	78.5	14%	0.144	39%	0.393	C	S	.	.	H	α-helix	trans	-60.8	-37.5	173.7	-90.3	-7.4	0	0	0	111.7	Y421 K427 R428 N429	Y421-N425 WeakPolarHBondContact CE1-ND2 3.36Å; Y421-N425 WeakPolarHBondContact O-CB 3.3Å; Y421-N425 PolarHBondContact O-N 3.47Å; Y421-N425 PolarHBondContact OH-ND2 2.79Å; Y421-N425 VanDerWaalsContact OH-ND2 3.14Å; N425-K427 VanDerWaalsContact C-N 3.34Å; N425-K427 PolarHBondContact O-N 3.41Å; N425-R428 PolarHBondContact O-N 3.13Å; N425-N429 WeakPolarHBondContact O-CB 3.24Å; N425-N429 PolarHBondContact O-N 3.21Å
426	N	65.5	Low	68.7	Low	101 Å²	101	73.6 Å²	73.6	54%	0.54	37%	0.369	S	S	.	.	H	α-helix	trans	-62.9	-37.4	173	-77.5	-14.2	0	0	0	112.5	K422 I423 I424 R428 N429 N430	K422-N426 WeakPolarHBondContact O-CB 3.3Å; K422-N426 PolarHBondContact O-N 2.94Å; K422-N426 VanDerWaalsContact O-N 3.07Å; K422-N426 PolarHBondContact O-ND2 3.35Å; I423-N426 WeakPolarHBondContact O-CB 3.22Å; I423-N426 PolarHBondContact O-N 2.79Å; I424-N426 VanDerWaalsContact C-N 3.26Å; I424-N426 PolarHBondContact O-N 3.29Å; N426-R428 PolarHBondContact O-N 2.91Å; N426-N429 PolarHBondContact O-N 2.91Å; N426-N430 WeakPolarHBondContact O-CB 3.45Å; N426-N430 PolarHBondContact O-N 2.95Å
427	K	65.6	Low	70.8	Confident	100 Å²	100	69.9 Å²	69.9	44%	0.435	35%	0.349	S	S	.	.	H	α-helix	trans	-63.4	-38.8	178	-164	174.1	-177.8	177.8	0	112.3	I423 I424 N425 N430 F433	I423-K427 PolarHBondContact O-N 2.95Å; I423-K427 VanDerWaalsContact O-N 3.1Å; I424-K427 WeakPolarHBondContact O-CB 3.49Å; I424-K427 PolarHBondContact O-N 3.44Å; I424-K427 VanDerWaalsContact O-N 3.07Å; N425-K427 VanDerWaalsContact C-N 3.34Å; N425-K427 PolarHBondContact O-N 3.41Å; K427-N430 WeakPolarHBondContact O-CB 3.44Å; K427-F433 WeakPolarHBondContact O-CB 3.34Å
428	R	65.5	Low	72.8	Confident	24 Å²	24	67 Å²	67	9%	0.091	34%	0.344	C	S	.	.	H	α-helix	trans	-76.6	-38.3	177	-68.2	172.7	174.2	-163.1	-15	113.5	A175 I176 P179 I424 N425 N426 N430 F433	A175-R428 PolarHBondContact O-NH2 3.25Å; I176-R428 PolarHBondContact O-NH1 3.29Å; I176-R428 PolarHBondContact O-NH2 3.32Å; P179-R428 VanDerWaalsContact CG-NH2 3.26Å; P179-R428 VanDerWaalsContact N-NH2 3.1Å; I424-R428 PolarHBondContact O-N 3.36Å; N425-R428 PolarHBondContact O-N 3.13Å; N426-R428 PolarHBondContact O-N 2.91Å; R428-N430 PolarHBondContact O-N 3.44Å; R428-F433 HydrophobicContact CG-CZ 4.48Å; R428-F433 VanDerWaalsContact O-CD1 3.28Å; R428-F433 WeakPolarHBondContact O-CD1 3.23Å
429	N	64.9	Low	74.6	Confident	57 Å²	57	62 Å²	62	31%	0.305	32%	0.317	S	S	.	.	H	α-helix	trans	-77.5	-10	178.1	-73.4	-21.3	0	0	0	112.9	N267 N425 N426	N267-N429 PolarHBondContact ND2-ND2 3.29Å; N267-N429 PolarHBondContact ND2-OD1 3.38Å; N425-N429 WeakPolarHBondContact O-CB 3.24Å; N425-N429 PolarHBondContact O-N 3.21Å; N426-N429 PolarHBondContact O-N 2.91Å
430	N	75.3	Confident	76.3	Confident	70 Å²	70	58.3 Å²	58.3	37%	0.374	30%	0.297	S	S	.	.	S	Bend	trans	-55.4	127.4	175.5	-172.5	-12.1	0	0	0	110.2	N426 K427 R428 S432 F433 K434	N426-N430 WeakPolarHBondContact O-CB 3.45Å; N426-N430 PolarHBondContact O-N 2.95Å; K427-N430 WeakPolarHBondContact O-CB 3.44Å; R428-N430 PolarHBondContact O-N 3.44Å; N430-S432 PolarHBondContact O-N 3.36Å; N430-S432 VanDerWaalsContact O-N 3.08Å; N430-S432 WeakPolarHBondContact OD1-CB 3.19Å; N430-S432 PolarHBondContact OD1-N 3.3Å; N430-S432 VanDerWaalsContact OD1-N 3.08Å; N430-F433 HydrophobicContact CB-CB 4.42Å; N430-F433 WeakPolarHBondContact O-CB 3.46Å; N430-F433 PolarHBondContact O-N 2.94Å; N430-K434 PolarHBondContact O-N 2.84Å
431	P	76.2	Confident	78.1	Confident	101 Å²	101	57.5 Å²	57.5	66%	0.656	29%	0.29	S	S	*	.	H	α-helix	trans	-51.4	-32.1	174.5	19.8	-34.2	0	0	0	113.4	K434 S435	P431-K434 PolarHBondContact O-N 3Å; P431-S435 WeakPolarHBondContact O-CB 3.32Å; P431-S435 PolarHBondContact O-N 3.33Å
432	S	79.9	Confident	80	Confident	35 Å²	35	55.1 Å²	55.1	25%	0.245	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-43	175	170.6	0	0	0	0	112.9	N430 T436 N516	N430-S432 PolarHBondContact O-N 3.36Å; N430-S432 VanDerWaalsContact O-N 3.08Å; N430-S432 WeakPolarHBondContact OD1-CB 3.19Å; N430-S432 PolarHBondContact OD1-N 3.3Å; N430-S432 VanDerWaalsContact OD1-N 3.08Å; S432-T436 WeakPolarHBondContact O-CB 3.42Å; S432-T436 PolarHBondContact O-N 2.85Å; S432-T436 PolarHBondContact O-OG1 3.48Å; S432-N516 PolarHBondContact OG-ND2 2.88Å
433	F	84.7	Confident	81.7	Confident	30 Å²	30	48.6 Å²	48.6	13%	0.132	26%	0.257	C	S	.	.	H	α-helix	trans	-67.6	-42.7	178.6	-179.7	-87.1	0	0	0	111.4	R172 I176 L260 K427 R428 N430 T436 T437	R172-F433 VanDerWaalsContact CZ-CZ 3.45Å; R172-F433 VanDerWaalsContact NH1-CE2 3.27Å; I176-F433 HydrophobicContact CG1-CE1 4.41Å; I176-F433 HydrophobicContact CG1-CZ 4.04Å; L260-F433 HydrophobicContact CD2-CE1 4.42Å; K427-F433 WeakPolarHBondContact O-CB 3.34Å; R428-F433 HydrophobicContact CG-CZ 4.48Å; R428-F433 VanDerWaalsContact O-CD1 3.28Å; R428-F433 WeakPolarHBondContact O-CD1 3.23Å; N430-F433 HydrophobicContact CB-CB 4.42Å; N430-F433 WeakPolarHBondContact O-CB 3.46Å; N430-F433 PolarHBondContact O-N 2.94Å; F433-T436 PolarHBondContact O-N 3.18Å; F433-T437 WeakPolarHBondContact O-CB 3.45Å; F433-T437 PolarHBondContact O-N 3.22Å; F433-T437 PolarHBondContact O-OG1 3.33Å
434	K	87.7	Confident	83.2	Confident	110 Å²	110	43 Å²	43	48%	0.478	23%	0.229	S	C	.	.	H	α-helix	trans	-62.1	-46.1	176.7	-67.2	-178.1	-180	175.1	0	112	N430 P431 T437 L438	N430-K434 PolarHBondContact O-N 2.84Å; P431-K434 PolarHBondContact O-N 3Å; K434-T437 PolarHBondContact O-N 2.93Å; K434-L438 PolarHBondContact O-N 3.24Å
435	S	91.4	Very high	85	Confident	22 Å²	22	45.4 Å²	45.4	15%	0.154	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-42.3	176.9	173.8	0	0	0	0	112	P431 T437 L438 M439 T513 C515	P431-S435 WeakPolarHBondContact O-CB 3.32Å; P431-S435 PolarHBondContact O-N 3.33Å; S435-T437 VanDerWaalsContact C-N 3.34Å; S435-T437 PolarHBondContact O-N 3.47Å; S435-L438 PolarHBondContact O-N 3.36Å; S435-M439 WeakPolarHBondContact O-CB 3.47Å; S435-M439 PolarHBondContact O-N 3.43Å; S435-T513 PolarHBondContact OG-O 3.3Å; S435-C515 WeakPolarHBondContact OG-CB 3.5Å; S435-C515 PolarHBondContact OG-N 3.11Å
436	T	92.7	Very high	86.7	Confident	15 Å²	15	46.9 Å²	46.9	9%	0.092	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-43.5	175.9	-56.7	0	0	0	0	111.1	N107 S432 F433 M439 L440	N107-T436 WeakPolarHBondContact ND2-CG2 3.43Å; S432-T436 WeakPolarHBondContact O-CB 3.42Å; S432-T436 PolarHBondContact O-N 2.85Å; S432-T436 PolarHBondContact O-OG1 3.48Å; F433-T436 PolarHBondContact O-N 3.18Å; T436-M439 HydrophobicContact CG2-CE 4.47Å; T436-M439 WeakPolarHBondContact O-CB 3.42Å; T436-M439 PolarHBondContact O-N 3.24Å; T436-L440 HydrophobicContact CG2-CD1 4.37Å; T436-L440 HydrophobicContact CG2-CG 4.48Å; T436-L440 WeakPolarHBondContact O-CG 3.3Å; T436-L440 PolarHBondContact O-N 3.48Å
437	T	94.3	Very high	88.2	Confident	4 Å²	4	42.3 Å²	42.3	3%	0.025	22%	0.218	C	C	.	.	H	α-helix	trans	-66.4	-40.6	-179.6	-52.8	0	0	0	0	112	R172 V256 L260 F433 K434 S435 M439 L440 L441	R172-T437 HydrophobicContact CG-CG2 3.91Å; V256-T437 HydrophobicContact CG1-CG2 4.03Å; L260-T437 HydrophobicContact CD1-CG2 3.58Å; F433-T437 WeakPolarHBondContact O-CB 3.45Å; F433-T437 PolarHBondContact O-N 3.22Å; F433-T437 PolarHBondContact O-OG1 3.33Å; K434-T437 PolarHBondContact O-N 2.93Å; S435-T437 VanDerWaalsContact C-N 3.34Å; S435-T437 PolarHBondContact O-N 3.47Å; T437-M439 VanDerWaalsContact C-N 3.34Å; T437-L440 PolarHBondContact O-N 2.91Å; T437-L441 HydrophobicContact CG2-CD1 4.32Å; T437-L441 WeakPolarHBondContact O-CB 3.26Å; T437-L441 WeakPolarHBondContact O-CG 3.32Å; T437-L441 PolarHBondContact O-N 3.02Å
438	L	95.5	Very high	89.7	Confident	98 Å²	98	38.1 Å²	38.1	51%	0.513	20%	0.2	S	C	.	.	H	α-helix	trans	-60.4	-44.2	173	177.2	64.3	0	0	0	111.5	K434 S435 L441 T442	K434-L438 PolarHBondContact O-N 3.24Å; S435-L438 PolarHBondContact O-N 3.36Å; L438-L441 PolarHBondContact O-N 2.98Å; L438-T442 WeakPolarHBondContact O-CB 3.5Å; L438-T442 PolarHBondContact O-N 3.35Å; L438-T442 PolarHBondContact O-OG1 2.87Å
439	M	97	Very high	91.2	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-59.9	-49.4	177.2	179	-163.9	80.2	0	0	111.5	W98 L113 S435 T436 T437 L441 T442 V443 Y510 T513	W98-M439 HydrophobicContact CH2-CE 3.55Å; W98-M439 HydrophobicContact CH2-SD 3.76Å; W98-M439 HydrophobicContact CZ2-CE 3.79Å; W98-M439 HydrophobicContact CZ2-SD 3.79Å; L113-M439 HydrophobicContact CD1-CE 3.58Å; S435-M439 WeakPolarHBondContact O-CB 3.47Å; S435-M439 PolarHBondContact O-N 3.43Å; T436-M439 HydrophobicContact CG2-CE 4.47Å; T436-M439 WeakPolarHBondContact O-CB 3.42Å; T436-M439 PolarHBondContact O-N 3.24Å; T437-M439 VanDerWaalsContact C-N 3.34Å; M439-L441 PolarHBondContact O-N 2.97Å; M439-T442 PolarHBondContact O-N 2.69Å; M439-V443 WeakPolarHBondContact O-CG2 3.38Å; M439-V443 PolarHBondContact O-N 3.16Å; M439-Y510 HydrophobicContact CG-CD1 4.02Å; M439-Y510 HydrophobicContact SD-CD1 4.02Å; M439-T513 VanDerWaalsContact CA-OG1 3.26Å; M439-T513 WeakPolarHBondContact CA-OG1 3.35Å; M439-T513 VanDerWaalsContact CB-OG1 3.3Å; M439-T513 WeakPolarHBondContact CB-OG1 3.1Å; M439-T513 VanDerWaalsContact CG-OG1 3.3Å; M439-T513 WeakPolarHBondContact CG-OG1 3.24Å
440	L	97.3	Very high	92.6	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-60.4	-46.5	177.9	-65.8	-179.4	0	0	0	111.6	A109 L113 F168 R172 T436 T437 T442 V443 S444	A109-L440 HydrophobicContact CB-CD1 4.04Å; A109-L440 HydrophobicContact CB-CD2 4.46Å; L113-L440 HydrophobicContact CD1-CD2 3.94Å; L113-L440 HydrophobicContact CD2-CD2 4.13Å; L113-L440 HydrophobicContact CG-CD2 4.32Å; F168-L440 HydrophobicContact CD1-CD2 4.47Å; F168-L440 HydrophobicContact CD2-CB 3.95Å; F168-L440 HydrophobicContact CD2-CD1 4.12Å; F168-L440 HydrophobicContact CD2-CD2 3.62Å; F168-L440 HydrophobicContact CD2-CG 4.07Å; F168-L440 HydrophobicContact CE2-CB 3.77Å; F168-L440 HydrophobicContact CE2-CD2 3.76Å; F168-L440 HydrophobicContact CE2-CG 4.25Å; F168-L440 HydrophobicContact CG-CD2 4.03Å; F168-L440 HydrophobicContact CZ-CD2 4.23Å; R172-L440 HydrophobicContact CB-CD1 4.26Å; R172-L440 HydrophobicContact CG-CD1 4.24Å; T436-L440 HydrophobicContact CG2-CD1 4.37Å; T436-L440 HydrophobicContact CG2-CG 4.48Å; T436-L440 WeakPolarHBondContact O-CG 3.3Å; T436-L440 PolarHBondContact O-N 3.48Å; T437-L440 PolarHBondContact O-N 2.91Å; L440-T442 VanDerWaalsContact C-N 3.32Å; L440-T442 PolarHBondContact O-N 2.86Å; L440-V443 PolarHBondContact O-N 3.3Å; L440-S444 WeakPolarHBondContact O-CB 3.24Å; L440-S444 PolarHBondContact O-N 3.49Å; L440-S444 PolarHBondContact O-OG 3.3Å
441	L	97.6	Very high	93.5	Very high	23 Å²	23	37 Å²	37	12%	0.12	20%	0.196	C	C	.	.	H	α-helix	trans	-58.4	-44	175.9	-76.9	171	0	0	0	111.8	N253 V256 I257 T437 L438 M439 S444 F445	N253-L441 HydrophobicContact CB-CD2 3.96Å; N253-L441 WeakPolarHBondContact OD1-CD2 3.37Å; V256-L441 HydrophobicContact CB-CD2 4.27Å; V256-L441 HydrophobicContact CG1-CD1 4.18Å; V256-L441 HydrophobicContact CG1-CD2 3.95Å; V256-L441 HydrophobicContact CG1-CG 4.26Å; I257-L441 HydrophobicContact CD1-CD2 4.47Å; I257-L441 HydrophobicContact CG1-CD1 4.05Å; I257-L441 HydrophobicContact CG1-CD2 4.23Å; T437-L441 HydrophobicContact CG2-CD1 4.32Å; T437-L441 WeakPolarHBondContact O-CB 3.26Å; T437-L441 WeakPolarHBondContact O-CG 3.32Å; T437-L441 PolarHBondContact O-N 3.02Å; L438-L441 PolarHBondContact O-N 2.98Å; M439-L441 PolarHBondContact O-N 2.97Å; L441-S444 PolarHBondContact O-N 2.88Å; L441-F445 HydrophobicContact CB-CD2 4.45Å; L441-F445 HydrophobicContact CB-CE2 4.47Å; L441-F445 HydrophobicContact CD2-CE2 4.21Å; L441-F445 WeakPolarHBondContact O-CD2 3.48Å; L441-F445 PolarHBondContact O-N 3.43Å
442	T	97.8	Very high	94.3	Very high	48 Å²	48	35 Å²	35	29%	0.294	18%	0.179	S	C	.	.	H	α-helix	trans	-63.2	-46.3	-178.5	-52.9	0	0	0	0	111	L438 M439 L440 F445 Y446 I509 T513	L438-T442 WeakPolarHBondContact O-CB 3.5Å; L438-T442 PolarHBondContact O-N 3.35Å; L438-T442 PolarHBondContact O-OG1 2.87Å; M439-T442 PolarHBondContact O-N 2.69Å; L440-T442 VanDerWaalsContact C-N 3.32Å; L440-T442 PolarHBondContact O-N 2.86Å; T442-F445 PolarHBondContact O-N 3.38Å; T442-Y446 WeakPolarHBondContact O-CB 3.31Å; T442-Y446 PolarHBondContact O-N 3.02Å; T442-I509 HydrophobicContact CG2-CG2 3.63Å; T442-T513 HydrophobicContact CG2-CG2 4.13Å
443	V	97.7	Very high	94.9	Very high	1 Å²	1	36 Å²	36	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-61.2	-47.2	176.5	176.9	0	0	0	0	109.8	F168 M439 L440 F445 Y446 T447 I509 Y510	F168-V443 HydrophobicContact CZ-CB 4.38Å; F168-V443 HydrophobicContact CZ-CG1 4.1Å; M439-V443 WeakPolarHBondContact O-CG2 3.38Å; M439-V443 PolarHBondContact O-N 3.16Å; L440-V443 PolarHBondContact O-N 3.3Å; V443-F445 PolarHBondContact O-N 2.91Å; V443-Y446 PolarHBondContact O-N 3.45Å; V443-T447 PolarHBondContact O-N 2.97Å; V443-T447 PolarHBondContact O-OG1 3.35Å; V443-T447 VanDerWaalsContact O-OG1 3.1Å; V443-I509 HydrophobicContact CG2-CB 4.3Å; V443-I509 HydrophobicContact CG2-CG2 3.56Å; V443-Y510 HydrophobicContact CB-CE1 4.43Å; V443-Y510 HydrophobicContact CG1-CE1 4.25Å; V443-Y510 HydrophobicContact CG2-CD1 3.76Å; V443-Y510 HydrophobicContact CG2-CE1 3.38Å
444	S	98	Very high	95.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.5	-45.7	179	-62	0	0	0	0	113.2	V165 F168 T169 N253 L440 L441 Y446 T447 I448	V165-S444 WeakPolarHBondContact CG1-OG 3.12Å; F168-S444 WeakPolarHBondContact CE2-OG 3.19Å; T169-S444 PolarHBondContact OG1-OG 2.62Å; N253-S444 WeakPolarHBondContact ND2-CB 3.4Å; L440-S444 WeakPolarHBondContact O-CB 3.24Å; L440-S444 PolarHBondContact O-N 3.49Å; L440-S444 PolarHBondContact O-OG 3.3Å; L441-S444 PolarHBondContact O-N 2.88Å; S444-Y446 VanDerWaalsContact C-N 3.32Å; S444-Y446 PolarHBondContact O-N 3.14Å; S444-T447 PolarHBondContact O-N 3.09Å; S444-I448 WeakPolarHBondContact O-CD1 3.13Å; S444-I448 WeakPolarHBondContact O-CG1 3.16Å; S444-I448 PolarHBondContact O-N 3.5Å
445	F	98	Very high	95.4	Very high	82 Å²	82	30.1 Å²	30.1	36%	0.36	16%	0.16	S	C	.	.	H	α-helix	trans	-64.8	-37	176.9	-80.9	-64.9	0	0	0	112.5	L250 N253 I257 L441 T442 V443 I448 L449	L250-F445 HydrophobicContact CD1-CE1 3.8Å; N253-F445 HydrophobicContact CB-CE1 4.35Å; N253-F445 HydrophobicContact CB-CE2 4.19Å; N253-F445 HydrophobicContact CB-CZ 3.85Å; I257-F445 HydrophobicContact CD1-CE2 3.97Å; I257-F445 HydrophobicContact CD1-CZ 3.92Å; L441-F445 HydrophobicContact CB-CD2 4.45Å; L441-F445 HydrophobicContact CB-CE2 4.47Å; L441-F445 HydrophobicContact CD2-CE2 4.21Å; L441-F445 WeakPolarHBondContact O-CD2 3.48Å; L441-F445 PolarHBondContact O-N 3.43Å; T442-F445 PolarHBondContact O-N 3.38Å; V443-F445 PolarHBondContact O-N 2.91Å; F445-I448 HydrophobicContact CD1-CD1 4.25Å; F445-I448 PolarHBondContact O-N 3.35Å; F445-L449 PolarHBondContact O-N 3.26Å
446	Y	97.8	Very high	95.3	Very high	57 Å²	57	33.7 Å²	33.7	22%	0.224	18%	0.177	C	C	.	.	H	α-helix	trans	-64.2	-48.3	175.3	-170.6	-119	0	0	0	111.4	T442 V443 S444 I448 L449 T450 S501 H502 F505 I509	T442-Y446 WeakPolarHBondContact O-CB 3.31Å; T442-Y446 PolarHBondContact O-N 3.02Å; V443-Y446 PolarHBondContact O-N 3.45Å; S444-Y446 VanDerWaalsContact C-N 3.32Å; S444-Y446 PolarHBondContact O-N 3.14Å; Y446-I448 VanDerWaalsContact C-N 3.33Å; Y446-I448 PolarHBondContact O-N 3.35Å; Y446-L449 PolarHBondContact O-N 2.89Å; Y446-T450 HydrophobicContact CD2-CG2 4.43Å; Y446-T450 HydrophobicContact CE1-CG2 4.22Å; Y446-T450 HydrophobicContact CE2-CG2 4.05Å; Y446-T450 PolarHBondContact O-N 3.32Å; Y446-T450 PolarHBondContact O-OG1 3.02Å; Y446-T450 VanDerWaalsContact O-OG1 3.13Å; Y446-S501 WeakPolarHBondContact OH-CB 3.38Å; Y446-S501 PolarHBondContact OH-OG 2.97Å; Y446-H502 HydrophobicContact CD1-CB 3.82Å; Y446-H502 HydrophobicContact CE1-CB 3.72Å; Y446-F505 HydrophobicContact CE1-CB 4.12Å; Y446-F505 HydrophobicContact CE1-CD2 4.5Å; Y446-F505 VanDerWaalsContact OH-CD2 3.28Å; Y446-F505 WeakPolarHBondContact OH-CD2 3.38Å; Y446-I509 HydrophobicContact CD1-CD1 3.51Å; Y446-I509 HydrophobicContact CE1-CD1 4.18Å; Y446-I509 HydrophobicContact CG-CD1 3.77Å
447	T	97.3	Very high	95.2	Very high	6 Å²	6	33.7 Å²	33.7	4%	0.037	18%	0.177	C	C	.	.	H	α-helix	trans	-58.3	-43	175	-56.7	0	0	0	0	111.8	P162 V165 V443 S444 L449 T450 T451	P162-T447 HydrophobicContact CB-CG2 4.25Å; V165-T447 HydrophobicContact CG2-CG2 4.14Å; V443-T447 PolarHBondContact O-N 2.97Å; V443-T447 PolarHBondContact O-OG1 3.35Å; V443-T447 VanDerWaalsContact O-OG1 3.1Å; S444-T447 PolarHBondContact O-N 3.09Å; T447-L449 VanDerWaalsContact C-N 3.34Å; T447-L449 PolarHBondContact O-N 2.92Å; T447-T450 PolarHBondContact O-N 3.43Å; T447-T450 PolarHBondContact O-OG1 3.26Å; T447-T451 HydrophobicContact CG2-CG2 3.88Å; T447-T451 VanDerWaalsContact O-CB 3.3Å; T447-T451 WeakPolarHBondContact O-CB 3.1Å; T447-T451 VanDerWaalsContact O-CG2 3.26Å; T447-T451 WeakPolarHBondContact O-CG2 3.35Å; T447-T451 PolarHBondContact O-N 2.93Å; T447-T451 PolarHBondContact O-OG1 3.22Å
448	I	97.4	Very high	94.8	Very high	12 Å²	12	35.9 Å²	35.9	6%	0.062	19%	0.185	C	C	.	.	H	α-helix	trans	-57.8	-48.6	176.3	-69.6	159.3	0	0	0	110.7	P246 V249 L250 N253 S444 F445 Y446 T450 T451 L452	P246-I448 HydrophobicContact CB-CG2 4.5Å; V249-I448 HydrophobicContact CB-CD1 3.97Å; V249-I448 HydrophobicContact CB-CG1 3.91Å; V249-I448 HydrophobicContact CG1-CD1 3.68Å; V249-I448 HydrophobicContact CG1-CG1 3.87Å; L250-I448 HydrophobicContact CB-CD1 3.91Å; L250-I448 HydrophobicContact CD1-CD1 4.39Å; N253-I448 WeakPolarHBondContact ND2-CD1 3.25Å; S444-I448 WeakPolarHBondContact O-CD1 3.13Å; S444-I448 WeakPolarHBondContact O-CG1 3.16Å; S444-I448 PolarHBondContact O-N 3.5Å; F445-I448 HydrophobicContact CD1-CD1 4.25Å; F445-I448 PolarHBondContact O-N 3.35Å; Y446-I448 VanDerWaalsContact C-N 3.33Å; Y446-I448 PolarHBondContact O-N 3.35Å; I448-T450 PolarHBondContact O-N 3.45Å; I448-T451 PolarHBondContact O-OG1 3.3Å; I448-L452 HydrophobicContact CG2-CD1 3.53Å; I448-L452 HydrophobicContact CG2-CG 4.45Å; I448-L452 VanDerWaalsContact O-CB 3.31Å; I448-L452 WeakPolarHBondContact O-CB 3.4Å; I448-L452 PolarHBondContact O-N 3.1Å
449	L	95.8	Very high	94.4	Very high	114 Å²	114	34.8 Å²	34.8	60%	0.597	18%	0.179	S	C	*	.	H	α-helix	trans	-60.5	-47.3	-177.8	-179.4	68.4	0	0	0	111.7	F445 Y446 T447 L453	F445-L449 PolarHBondContact O-N 3.26Å; Y446-L449 PolarHBondContact O-N 2.89Å; T447-L449 VanDerWaalsContact C-N 3.34Å; T447-L449 PolarHBondContact O-N 2.92Å; L449-L453 VanDerWaalsContact O-CB 3.26Å; L449-L453 WeakPolarHBondContact O-CB 3.24Å; L449-L453 PolarHBondContact O-N 3.19Å
450	T	95.9	Very high	93.9	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-74	-39.4	-176.1	55.2	0	0	0	0	112.5	Y446 T447 I448 G454 I498 H502	Y446-T450 HydrophobicContact CD2-CG2 4.43Å; Y446-T450 HydrophobicContact CE1-CG2 4.22Å; Y446-T450 HydrophobicContact CE2-CG2 4.05Å; Y446-T450 PolarHBondContact O-N 3.32Å; Y446-T450 PolarHBondContact O-OG1 3.02Å; Y446-T450 VanDerWaalsContact O-OG1 3.13Å; T447-T450 PolarHBondContact O-N 3.43Å; T447-T450 PolarHBondContact O-OG1 3.26Å; I448-T450 PolarHBondContact O-N 3.45Å; T450-G454 PolarHBondContact O-N 3.38Å; T450-I498 WeakPolarHBondContact CG2-O 3.35Å; T450-H502 HydrophobicContact CG2-CB 4.11Å; T450-H502 VanDerWaalsContact OG1-CB 3.31Å; T450-H502 WeakPolarHBondContact OG1-CB 3.48Å; T450-H502 VanDerWaalsContact OG1-CG 3.28Å; T450-H502 PolarHBondContact OG1-ND1 2.68Å
451	T	94.4	Very high	93.3	Very high	13 Å²	13	40.2 Å²	40.2	8%	0.08	21%	0.206	C	C	.	.	H	α-helix	trans	-72.6	-43.6	-179.5	54	0	0	0	0	112.8	P246 T447 I448 L453 G454 G455	P246-T451 VanDerWaalsContact CG-OG1 3.27Å; P246-T451 WeakPolarHBondContact CG-OG1 3.43Å; T447-T451 HydrophobicContact CG2-CG2 3.88Å; T447-T451 VanDerWaalsContact O-CB 3.3Å; T447-T451 WeakPolarHBondContact O-CB 3.1Å; T447-T451 VanDerWaalsContact O-CG2 3.26Å; T447-T451 WeakPolarHBondContact O-CG2 3.35Å; T447-T451 PolarHBondContact O-N 2.93Å; T447-T451 PolarHBondContact O-OG1 3.22Å; I448-T451 PolarHBondContact O-OG1 3.3Å; T451-L453 VanDerWaalsContact C-N 3.32Å; T451-L453 PolarHBondContact O-N 3.3Å; T451-G454 PolarHBondContact O-N 3.36Å; T451-G455 PolarHBondContact O-N 2.92Å
452	L	92.9	Very high	92.6	Very high	59 Å²	59	42.3 Å²	42.3	31%	0.309	22%	0.215	S	C	.	.	H	α-helix	trans	-63.2	-39.8	174.8	-80.8	166.7	0	0	0	111.4	S242 P246 I448 L456	S242-L452 WeakPolarHBondContact O-CD2 3.47Å; P246-L452 HydrophobicContact CB-CD1 4.23Å; P246-L452 HydrophobicContact CB-CD2 4.21Å; P246-L452 HydrophobicContact CB-CG 3.79Å; P246-L452 HydrophobicContact CG-CG 4.42Å; I448-L452 HydrophobicContact CG2-CD1 3.53Å; I448-L452 HydrophobicContact CG2-CG 4.45Å; I448-L452 VanDerWaalsContact O-CB 3.31Å; I448-L452 WeakPolarHBondContact O-CB 3.4Å; I448-L452 PolarHBondContact O-N 3.1Å; L452-L456 WeakPolarHBondContact O-CB 3.45Å; L452-L456 PolarHBondContact O-N 3.49Å
453	L	92.3	Very high	91.9	Very high	56 Å²	56	45.2 Å²	45.2	29%	0.293	23%	0.233	S	C	.	.	H	α-helix	trans	-64.4	-47.5	177.8	-177.3	66.6	0	0	0	111.4	L449 T451 L456 V457 I498	L449-L453 VanDerWaalsContact O-CB 3.26Å; L449-L453 WeakPolarHBondContact O-CB 3.24Å; L449-L453 PolarHBondContact O-N 3.19Å; T451-L453 VanDerWaalsContact C-N 3.32Å; T451-L453 PolarHBondContact O-N 3.3Å; L453-L456 PolarHBondContact O-N 2.94Å; L453-V457 HydrophobicContact CD1-CG2 4.31Å; L453-V457 WeakPolarHBondContact O-CB 3.39Å; L453-V457 VanDerWaalsContact O-CG2 3.28Å; L453-V457 WeakPolarHBondContact O-CG2 3.4Å; L453-V457 PolarHBondContact O-N 3.33Å; L453-I498 HydrophobicContact CD2-CB 3.92Å; L453-I498 HydrophobicContact CD2-CD1 3.99Å; L453-I498 HydrophobicContact CD2-CG2 3.52Å
454	G	90.9	Very high	91.2	Very high	12 Å²	12	47 Å²	47	12%	0.124	24%	0.241	C	C	.	.	H	α-helix	trans	-58.6	-47.7	176.7	0	0	0	0	0	112.3	T450 T451 L456 V457 Y458	T450-G454 PolarHBondContact O-N 3.38Å; T451-G454 PolarHBondContact O-N 3.36Å; G454-L456 PolarHBondContact O-N 3.37Å; G454-V457 PolarHBondContact O-N 2.82Å; G454-Y458 WeakPolarHBondContact O-CB 3.46Å; G454-Y458 PolarHBondContact O-N 2.81Å
455	G	90.5	Very high	90.5	Very high	4 Å²	4	54 Å²	54	4%	0.041	27%	0.274	C	S	.	.	H	α-helix	trans	-62.3	-42.8	176.7	0	0	0	0	0	113.5	T451 V457 Y458 L459	T451-G455 PolarHBondContact O-N 2.92Å; G455-V457 PolarHBondContact O-N 3.26Å; G455-Y458 PolarHBondContact O-N 3.12Å; G455-L459 WeakPolarHBondContact O-CG 3.28Å; G455-L459 PolarHBondContact O-N 3.14Å
456	L	89.7	Confident	89.7	Confident	97 Å²	97	58 Å²	58	51%	0.508	29%	0.294	S	S	.	.	H	α-helix	trans	-60.8	-47	177.4	177.1	64.4	0	0	0	111.4	L452 L453 G454 Y458 L459 I460	L452-L456 WeakPolarHBondContact O-CB 3.45Å; L452-L456 PolarHBondContact O-N 3.49Å; L453-L456 PolarHBondContact O-N 2.94Å; G454-L456 PolarHBondContact O-N 3.37Å; L456-Y458 VanDerWaalsContact C-N 3.32Å; L456-Y458 PolarHBondContact O-N 3.27Å; L456-L459 PolarHBondContact O-N 3.24Å; L456-I460 HydrophobicContact CD1-CD1 4.03Å; L456-I460 HydrophobicContact CD1-CG1 4.35Å; L456-I460 HydrophobicContact CG-CD1 3.9Å; L456-I460 VanDerWaalsContact O-CG1 3.3Å; L456-I460 WeakPolarHBondContact O-CG1 3.26Å; L456-I460 PolarHBondContact O-N 2.81Å
457	V	90.7	Very high	89.2	Confident	15 Å²	15	55.5 Å²	55.5	9%	0.091	29%	0.285	C	S	.	.	H	α-helix	trans	-64.2	-39.3	179.7	166.9	0	0	0	0	111.2	L453 G454 G455 H461 K492	L453-V457 HydrophobicContact CD1-CG2 4.31Å; L453-V457 WeakPolarHBondContact O-CB 3.39Å; L453-V457 VanDerWaalsContact O-CG2 3.28Å; L453-V457 WeakPolarHBondContact O-CG2 3.4Å; L453-V457 PolarHBondContact O-N 3.33Å; G454-V457 PolarHBondContact O-N 2.82Å; G455-V457 PolarHBondContact O-N 3.26Å; V457-H461 WeakPolarHBondContact O-CB 3.46Å; V457-H461 PolarHBondContact O-N 3.47Å; V457-K492 VanDerWaalsContact CG1-CA 3.46Å; V457-K492 HydrophobicContact CG1-CB 3.98Å; V457-K492 HydrophobicContact CG1-CG 3.95Å
458	Y	87.3	Confident	88.6	Confident	50 Å²	50	59.7 Å²	59.7	20%	0.196	31%	0.307	C	S	.	.	H	α-helix	trans	-60.7	-47.4	173.6	-178.9	-90.7	0	0	0	112.3	E238 G454 G455 L456 H461 Q462	E238-Y458 HydrophobicContact CB-CD1 4.27Å; E238-Y458 HydrophobicContact CB-CE1 4.3Å; E238-Y458 HydrophobicContact CG-CD1 3.79Å; E238-Y458 HydrophobicContact CG-CE1 3.6Å; E238-Y458 HydrophobicContact CG-CG 4.48Å; G454-Y458 WeakPolarHBondContact O-CB 3.46Å; G454-Y458 PolarHBondContact O-N 2.81Å; G455-Y458 PolarHBondContact O-N 3.12Å; L456-Y458 VanDerWaalsContact C-N 3.32Å; L456-Y458 PolarHBondContact O-N 3.27Å; Y458-H461 PolarHBondContact O-N 3.13Å; Y458-Q462 HydrophobicContact CD1-CG 4.33Å; Y458-Q462 HydrophobicContact CE1-CG 3.95Å; Y458-Q462 PolarHBondContact O-N 3.37Å; Y458-Q462 PolarHBondContact OH-NE2 2.98Å
459	L	86.3	Confident	87.9	Confident	74 Å²	74	63.7 Å²	63.7	39%	0.387	33%	0.326	S	S	.	.	H	α-helix	trans	-64	-44.1	178.5	-70.2	173.3	0	0	0	111.9	G455 L456 H461 Q462 T463	G455-L459 WeakPolarHBondContact O-CG 3.28Å; G455-L459 PolarHBondContact O-N 3.14Å; L456-L459 PolarHBondContact O-N 3.24Å; L459-H461 VanDerWaalsContact C-N 3.28Å; L459-H461 PolarHBondContact O-N 3.42Å; L459-Q462 PolarHBondContact O-N 3.2Å; L459-T463 WeakPolarHBondContact O-CG2 3.45Å; L459-T463 PolarHBondContact O-N 2.83Å; L459-T463 VanDerWaalsContact O-N 3.13Å
460	I	86.6	Confident	87.5	Confident	73 Å²	73	63.4 Å²	63.4	37%	0.374	33%	0.325	S	S	.	.	H	α-helix	trans	-58.3	-44	176.1	-69.9	168.8	0	0	0	110.4	L456 Q462 T463 Q464 M488	L456-I460 HydrophobicContact CD1-CD1 4.03Å; L456-I460 HydrophobicContact CD1-CG1 4.35Å; L456-I460 HydrophobicContact CG-CD1 3.9Å; L456-I460 VanDerWaalsContact O-CG1 3.3Å; L456-I460 WeakPolarHBondContact O-CG1 3.26Å; L456-I460 PolarHBondContact O-N 2.81Å; I460-Q462 PolarHBondContact O-N 3.31Å; I460-T463 PolarHBondContact O-N 3.42Å; I460-T463 PolarHBondContact O-OG1 3.21Å; I460-Q464 PolarHBondContact O-NE2 3.23Å; I460-M488 HydrophobicContact CG2-SD 3.96Å
461	H	84.9	Confident	87.1	Confident	47 Å²	47	63.5 Å²	63.5	22%	0.218	33%	0.326	C	S	.	.	H	α-helix	trans	-62.8	-39.9	177.4	-177.8	66.1	0	0	0	112.6	V457 Y458 L459 T463 Q464 Y485 K492	V457-H461 WeakPolarHBondContact O-CB 3.46Å; V457-H461 PolarHBondContact O-N 3.47Å; Y458-H461 PolarHBondContact O-N 3.13Å; L459-H461 VanDerWaalsContact C-N 3.28Å; L459-H461 PolarHBondContact O-N 3.42Å; H461-T463 VanDerWaalsContact C-N 3.27Å; H461-T463 PolarHBondContact O-N 3.34Å; H461-Q464 WeakPolarHBondContact O-CB 3.22Å; H461-Q464 WeakPolarHBondContact O-CG 3.4Å; H461-Q464 PolarHBondContact O-N 3.17Å; H461-Y485 AromaticContact CE1-CE2 3.93Å; H461-K492 HydrophobicContact CB-CD 4.07Å
462	Q	82	Confident	86.8	Confident	68 Å²	68	63.9 Å²	63.9	32%	0.318	33%	0.329	S	S	.	.	H	α-helix	trans	-66.4	-26.1	176.4	-76.2	-158.9	-5.2	0	0	114.1	S235 Y458 L459 I460 Q464	S235-Q462 PolarHBondContact OG-OE1 3.03Å; Y458-Q462 HydrophobicContact CD1-CG 4.33Å; Y458-Q462 HydrophobicContact CE1-CG 3.95Å; Y458-Q462 PolarHBondContact O-N 3.37Å; Y458-Q462 PolarHBondContact OH-NE2 2.98Å; L459-Q462 PolarHBondContact O-N 3.2Å; I460-Q462 PolarHBondContact O-N 3.31Å; Q462-Q464 PolarHBondContact O-N 2.93Å
463	T	84.1	Confident	86.6	Confident	109 Å²	109	63.9 Å²	63.9	67%	0.669	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-3.7	176.9	60.3	0	0	0	0	113.9	L459 I460 H461	L459-T463 WeakPolarHBondContact O-CG2 3.45Å; L459-T463 PolarHBondContact O-N 2.83Å; L459-T463 VanDerWaalsContact O-N 3.13Å; I460-T463 PolarHBondContact O-N 3.42Å; I460-T463 PolarHBondContact O-OG1 3.21Å; H461-T463 VanDerWaalsContact C-N 3.27Å; H461-T463 PolarHBondContact O-N 3.34Å
464	Q	82.5	Confident	86.3	Confident	37 Å²	37	67 Å²	67	17%	0.173	34%	0.338	C	S	.	.	S	Bend	trans	-76.5	142.8	179.7	-58.5	-55	-68.8	0	0	110.9	I460 H461 Q462 E466 M488	I460-Q464 PolarHBondContact O-NE2 3.23Å; H461-Q464 WeakPolarHBondContact O-CB 3.22Å; H461-Q464 WeakPolarHBondContact O-CG 3.4Å; H461-Q464 PolarHBondContact O-N 3.17Å; Q462-Q464 PolarHBondContact O-N 2.93Å; Q464-E466 PolarHBondContact O-N 3.14Å; Q464-M488 HydrophobicContact CG-CB 4.26Å; Q464-M488 HydrophobicContact CG-CG 3.85Å; Q464-M488 HydrophobicContact CG-SD 4.38Å
465	E	82.4	Confident	86.2	Confident	147 Å²	147	71.5 Å²	71.5	69%	0.687	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-64.5	131.8	170.1	-172.2	171.3	-172.3	0	0	109.5	P467 V481	E465-P467 WeakPolarHBondContact O-CD 3.44Å; E465-V481 HydrophobicContact CB-CG1 4.3Å; E465-V481 HydrophobicContact CG-CG1 4.42Å
466	E	81.8	Confident	86.2	Confident	167 Å²	167	71.3 Å²	71.3	78%	0.78	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-66.7	122.6	173.4	-68	-170.4	167	0	0	108.3	Q464	Q464-E466 PolarHBondContact O-N 3.14Å
467	P	86.7	Confident	86.1	Confident	5 Å²	5	70.6 Å²	70.6	3%	0.032	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-66.8	159.1	179.6	30.2	-36.1	0	0	0	110.6	E465 M469 V481 W482 Y485	E465-P467 WeakPolarHBondContact O-CD 3.44Å; P467-M469 PolarHBondContact O-N 3.39Å; P467-V481 HydrophobicContact CB-CG1 4.1Å; P467-W482 HydrophobicContact CB-CD2 3.54Å; P467-W482 HydrophobicContact CB-CE3 3.93Å; P467-W482 HydrophobicContact CB-CG 3.87Å; P467-W482 HydrophobicContact CB-CH2 4.28Å; P467-W482 HydrophobicContact CB-CZ2 3.93Å; P467-W482 HydrophobicContact CB-CZ3 4.27Å; P467-W482 HydrophobicContact CG-CD2 3.92Å; P467-W482 HydrophobicContact CG-CE3 3.79Å; P467-W482 HydrophobicContact CG-CH2 3.76Å; P467-W482 HydrophobicContact CG-CZ2 3.89Å; P467-W482 HydrophobicContact CG-CZ3 3.7Å; P467-Y485 HydrophobicContact CG-CD1 3.92Å; P467-Y485 HydrophobicContact CG-CD2 4.24Å; P467-Y485 HydrophobicContact CG-CE1 4.28Å; P467-Y485 HydrophobicContact CG-CG 3.89Å
468	N	86.4	Confident	86.1	Confident	93 Å²	93	78.3 Å²	78.3	50%	0.497	38%	0.383	S	S	.	.			trans	-62.9	104.2	174.9	178.7	13	0	0	0	110.4	N470 A471 W482	N468-N470 PolarHBondContact O-N 3.48Å; N468-N470 VanDerWaalsContact O-N 3.12Å; N468-N470 WeakPolarHBondContact OD1-CB 3.4Å; N468-N470 PolarHBondContact OD1-N 3.44Å; N468-A471 WeakPolarHBondContact O-CB 3.4Å; N468-A471 PolarHBondContact O-N 3.01Å; N468-W482 WeakPolarHBondContact O-CZ2 3.4Å; N468-W482 PolarHBondContact O-NE1 3.05Å; N468-W482 VanDerWaalsContact O-NE1 3.09Å
469	M	82.8	Confident	86.3	Confident	96 Å²	96	77.9 Å²	77.9	47%	0.473	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-14.8	179.8	-65.6	-61.9	-154.6	0	0	113.6	P467 W482	P467-M469 PolarHBondContact O-N 3.39Å; M469-W482 HydrophobicContact SD-CH2 4.1Å; M469-W482 HydrophobicContact SD-CZ2 4.39Å
470	N	86.6	Confident	86.6	Confident	108 Å²	108	79 Å²	79	58%	0.578	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	9.7	-178.8	-65	-0.1	0	0	0	114	M53 N468	M53-N470 VanDerWaalsContact CE-CA 3.43Å; M53-N470 HydrophobicContact CE-CB 3.55Å; M53-N470 WeakPolarHBondContact CE-OD1 3.29Å; N468-N470 PolarHBondContact O-N 3.48Å; N468-N470 VanDerWaalsContact O-N 3.12Å; N468-N470 WeakPolarHBondContact OD1-CB 3.4Å; N468-N470 PolarHBondContact OD1-N 3.44Å
471	A	87.2	Confident	86.9	Confident	3 Å²	3	77.2 Å²	77.2	3%	0.025	39%	0.388	C	S	.	.			trans	-74	145.6	178.9	0	0	0	0	0	112.4	L54 N468 E475 A476	L54-A471 WeakPolarHBondContact CG-O 3.3Å; L54-A471 PolarHBondContact N-O 3.03Å; N468-A471 WeakPolarHBondContact O-CB 3.4Å; N468-A471 PolarHBondContact O-N 3.01Å; A471-E475 HydrophobicContact CB-CB 4.19Å; A471-A476 HydrophobicContact CB-CB 4.26Å
472	T	88.9	Confident	87.3	Confident	22 Å²	22	75.3 Å²	75.3	14%	0.135	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-71.9	162.9	163.5	61.5	0	0	0	0	110.6	K474 E475 A476	T472-K474 VanDerWaalsContact C-N 3.28Å; T472-K474 PolarHBondContact O-N 3.5Å; T472-E475 PolarHBondContact N-OE2 3.31Å; T472-E475 PolarHBondContact O-N 2.96Å; T472-E475 WeakPolarHBondContact OG1-CB 3.25Å; T472-E475 WeakPolarHBondContact OG1-CG 3.4Å; T472-E475 PolarHBondContact OG1-N 2.89Å; T472-E475 PolarHBondContact OG1-OE2 3.47Å; T472-A476 WeakPolarHBondContact O-CB 3.37Å; T472-A476 PolarHBondContact O-N 2.95Å
473	E	87.2	Confident	87.7	Confident	59 Å²	59	74.8 Å²	74.8	28%	0.276	38%	0.378	S	S	.	.	H	α-helix	trans	-55.5	-43.1	177.2	-176.5	-176.2	163.8	0	0	112.4	L54 Y58 H67 F68 E475 A476 L477	L54-E473 HydrophobicContact CD2-CB 3.93Å; L54-E473 HydrophobicContact CD2-CG 4.35Å; Y58-E473 PolarHBondContact OH-OE2 3.35Å; H67-E473 IonicContact CE1-OE1 3.71Å; H67-E473 PolarHBondContact CE1-OE1 3.47Å; H67-E473 IonicContact NE2-OE1 3.43Å; H67-E473 PolarHBondContact NE2-OE1 2.95Å; F68-E473 HydrophobicContact CZ-CG 4.18Å; E473-E475 VanDerWaalsContact C-N 3.33Å; E473-E475 PolarHBondContact O-N 3.36Å; E473-A476 PolarHBondContact O-N 3.17Å; E473-L477 HydrophobicContact CG-CD1 4.12Å; E473-L477 WeakPolarHBondContact O-CG 3.27Å; E473-L477 PolarHBondContact O-N 3.41Å
474	K	86.7	Confident	88	Confident	120 Å²	120	74.6 Å²	74.6	52%	0.522	37%	0.37	S	S	.	.	H	α-helix	trans	-66.3	-34.8	-179.9	-68.3	177.9	-172	163.7	0	112.6	S50 T472 K478	S50-K474 PolarHBondContact OG-NZ 3.39Å; T472-K474 VanDerWaalsContact C-N 3.28Å; T472-K474 PolarHBondContact O-N 3.5Å; K474-K478 WeakPolarHBondContact O-CG 3.18Å
475	E	89.9	Confident	88.4	Confident	107 Å²	107	75.2 Å²	75.2	50%	0.5	37%	0.371	S	S	.	.	H	α-helix	trans	-72.8	-46.7	176.1	-72	166	154.5	0	0	110.7	A471 T472 E473 L477 K478 D479	A471-E475 HydrophobicContact CB-CB 4.19Å; T472-E475 PolarHBondContact N-OE2 3.31Å; T472-E475 PolarHBondContact O-N 2.96Å; T472-E475 WeakPolarHBondContact OG1-CB 3.25Å; T472-E475 WeakPolarHBondContact OG1-CG 3.4Å; T472-E475 PolarHBondContact OG1-N 2.89Å; T472-E475 PolarHBondContact OG1-OE2 3.47Å; E473-E475 VanDerWaalsContact C-N 3.33Å; E473-E475 PolarHBondContact O-N 3.36Å; E475-L477 VanDerWaalsContact C-N 3.34Å; E475-L477 PolarHBondContact O-N 3.26Å; E475-K478 PolarHBondContact O-N 2.71Å; E475-D479 WeakPolarHBondContact O-CB 3.41Å; E475-D479 PolarHBondContact O-N 3.37Å
476	A	88.7	Confident	88.8	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61.7	-39.1	-179.1	0	0	0	0	0	113.1	L54 A471 T472 E473 K478 D479 W482	L54-A476 HydrophobicContact CD1-CB 3.39Å; L54-A476 HydrophobicContact CG-CB 4.18Å; A471-A476 HydrophobicContact CB-CB 4.26Å; T472-A476 WeakPolarHBondContact O-CB 3.37Å; T472-A476 PolarHBondContact O-N 2.95Å; E473-A476 PolarHBondContact O-N 3.17Å; A476-K478 PolarHBondContact O-N 3.24Å; A476-D479 PolarHBondContact O-N 3.13Å; A476-W482 HydrophobicContact CB-CB 4.28Å; A476-W482 HydrophobicContact CB-CD2 4.03Å; A476-W482 HydrophobicContact CB-CG 3.71Å; A476-W482 WeakPolarHBondContact O-CB 3.42Å
477	L	88.8	Confident	89.2	Confident	82 Å²	82	67.7 Å²	67.7	43%	0.429	33%	0.333	S	S	.	.	H	α-helix	trans	-66.7	-25.9	176.3	-71.4	173.5	0	0	0	113.1	F68 E473 E475 N483	F68-L477 HydrophobicContact CD1-CD2 4.2Å; F68-L477 HydrophobicContact CE1-CD2 3.85Å; F68-L477 HydrophobicContact CE1-CG 4.28Å; E473-L477 HydrophobicContact CG-CD1 4.12Å; E473-L477 WeakPolarHBondContact O-CG 3.27Å; E473-L477 PolarHBondContact O-N 3.41Å; E475-L477 VanDerWaalsContact C-N 3.34Å; E475-L477 PolarHBondContact O-N 3.26Å; L477-N483 PolarHBondContact O-ND2 3.23Å
478	K	90.7	Very high	89.4	Confident	177 Å²	177	68.9 Å²	68.9	77%	0.77	34%	0.339	S	S	*	.	H	α-helix	trans	-89.9	-20.8	176.8	-68.9	177	-177.3	177.4	0	113.1	K474 E475 A476	K474-K478 WeakPolarHBondContact O-CG 3.18Å; E475-K478 PolarHBondContact O-N 2.71Å; A476-K478 PolarHBondContact O-N 3.24Å
479	D	92	Very high	89.6	Confident	42 Å²	42	65.1 Å²	65.1	23%	0.225	32%	0.319	C	S	.	.			trans	-74.8	124	-177.6	-176.6	-10.6	0	0	0	111.1	E475 A476 V481 W482 N483	E475-D479 WeakPolarHBondContact O-CB 3.41Å; E475-D479 PolarHBondContact O-N 3.37Å; A476-D479 PolarHBondContact O-N 3.13Å; D479-V481 VanDerWaalsContact C-N 3.27Å; D479-V481 PolarHBondContact O-N 3.38Å; D479-V481 WeakPolarHBondContact OD1-CB 3.45Å; D479-V481 PolarHBondContact OD1-N 2.92Å; D479-W482 HydrophobicContact CB-CB 4.2Å; D479-W482 HydrophobicContact CB-CG 4.49Å; D479-N483 PolarHBondContact O-N 3.35Å; D479-N483 PolarHBondContact O-ND2 3.17Å
480	P	92.3	Very high	89.9	Confident	96 Å²	96	62.1 Å²	62.1	62%	0.623	31%	0.306	S	S	*	.	H	α-helix	trans	-61.6	-31.3	175.6	25.6	-34.8	0	0	0	113.6	N483 Q484	P480-N483 PolarHBondContact O-N 3.48Å; P480-Q484 WeakPolarHBondContact O-CB 3.48Å; P480-Q484 PolarHBondContact O-N 3.17Å
481	V	92.6	Very high	90.1	Very high	36 Å²	36	61.5 Å²	61.5	22%	0.218	30%	0.301	C	S	.	.	H	α-helix	trans	-68.4	-47.4	-179	-176.3	0	0	0	0	110.3	E465 P467 D479 N483 Q484 Y485	E465-V481 HydrophobicContact CB-CG1 4.3Å; E465-V481 HydrophobicContact CG-CG1 4.42Å; P467-V481 HydrophobicContact CB-CG1 4.1Å; D479-V481 VanDerWaalsContact C-N 3.27Å; D479-V481 PolarHBondContact O-N 3.38Å; D479-V481 WeakPolarHBondContact OD1-CB 3.45Å; D479-V481 PolarHBondContact OD1-N 2.92Å; V481-N483 PolarHBondContact O-N 3.37Å; V481-Q484 PolarHBondContact O-N 3.47Å; V481-Y485 WeakPolarHBondContact O-CB 3.41Å; V481-Y485 PolarHBondContact O-N 3.02Å
482	W	92.2	Very high	90.2	Very high	7 Å²	7	63.5 Å²	63.5	3%	0.027	31%	0.31	C	S	.	.	H	α-helix	trans	-59.3	-45.6	173.4	-89.2	110.5	0	0	0	112.3	L54 F64 P467 N468 M469 A476 D479 Q484 Y485 F486	L54-W482 HydrophobicContact CD1-CD2 4.35Å; L54-W482 HydrophobicContact CD1-CH2 3.97Å; L54-W482 HydrophobicContact CD1-CZ2 3.68Å; L54-W482 HydrophobicContact CD1-CZ3 4.41Å; F64-W482 HydrophobicContact CE2-CZ3 4.11Å; F64-W482 AromaticContact CZ-CZ3 3.98Å; F64-W482 HydrophobicContact CZ-CZ3 3.98Å; P467-W482 HydrophobicContact CB-CD2 3.54Å; P467-W482 HydrophobicContact CB-CE3 3.93Å; P467-W482 HydrophobicContact CB-CG 3.87Å; P467-W482 HydrophobicContact CB-CH2 4.28Å; P467-W482 HydrophobicContact CB-CZ2 3.93Å; P467-W482 HydrophobicContact CB-CZ3 4.27Å; P467-W482 HydrophobicContact CG-CD2 3.92Å; P467-W482 HydrophobicContact CG-CE3 3.79Å; P467-W482 HydrophobicContact CG-CH2 3.76Å; P467-W482 HydrophobicContact CG-CZ2 3.89Å; P467-W482 HydrophobicContact CG-CZ3 3.7Å; N468-W482 WeakPolarHBondContact O-CZ2 3.4Å; N468-W482 PolarHBondContact O-NE1 3.05Å; N468-W482 VanDerWaalsContact O-NE1 3.09Å; M469-W482 HydrophobicContact SD-CH2 4.1Å; M469-W482 HydrophobicContact SD-CZ2 4.39Å; A476-W482 HydrophobicContact CB-CB 4.28Å; A476-W482 HydrophobicContact CB-CD2 4.03Å; A476-W482 HydrophobicContact CB-CG 3.71Å; A476-W482 WeakPolarHBondContact O-CB 3.42Å; D479-W482 HydrophobicContact CB-CB 4.2Å; D479-W482 HydrophobicContact CB-CG 4.49Å; W482-Q484 VanDerWaalsContact C-N 3.29Å; W482-Q484 PolarHBondContact O-N 2.82Å; W482-Y485 HydrophobicContact CE3-CD1 4.05Å; W482-Y485 AromaticContact CZ3-CD1 3.87Å; W482-Y485 HydrophobicContact CZ3-CD1 3.87Å; W482-Y485 HydrophobicContact CZ3-CE1 4.18Å; W482-Y485 WeakPolarHBondContact O-CB 3.16Å; W482-Y485 PolarHBondContact O-N 3.26Å; W482-Y485 VanDerWaalsContact O-N 3.11Å; W482-F486 HydrophobicContact CB-CE2 4.2Å; W482-F486 HydrophobicContact CB-CZ 4.35Å; W482-F486 HydrophobicContact CD2-CZ 4.29Å; W482-F486 HydrophobicContact CE3-CD1 4.4Å; W482-F486 AromaticContact CE3-CE1 3.57Å; W482-F486 HydrophobicContact CE3-CE1 3.57Å; W482-F486 HydrophobicContact CE3-CE2 4.49Å; W482-F486 AromaticContact CE3-CZ 3.62Å; W482-F486 HydrophobicContact CE3-CZ 3.62Å; W482-F486 AromaticContact CZ3-CE1 3.95Å; W482-F486 HydrophobicContact CZ3-CE1 3.95Å; W482-F486 HydrophobicContact CZ3-CZ 4.32Å; W482-F486 VanDerWaalsContact O-CD2 3.25Å; W482-F486 WeakPolarHBondContact O-CD2 3.31Å; W482-F486 VanDerWaalsContact O-CG 3.3Å; W482-F486 WeakPolarHBondContact O-CG 3.47Å; W482-F486 PolarHBondContact O-N 3.31Å
483	N	91	Very high	90.3	Very high	58 Å²	58	62.8 Å²	62.8	31%	0.31	31%	0.306	S	S	.	.	H	α-helix	trans	-61.6	-37.1	177.4	-79.4	-54.6	0	0	0	112.7	L477 D479 P480 V481 K487	L477-N483 PolarHBondContact O-ND2 3.23Å; D479-N483 PolarHBondContact O-N 3.35Å; D479-N483 PolarHBondContact O-ND2 3.17Å; P480-N483 PolarHBondContact O-N 3.48Å; V481-N483 PolarHBondContact O-N 3.37Å; N483-K487 WeakPolarHBondContact O-CG 3.32Å; N483-K487 PolarHBondContact O-N 3.43Å
484	Q	90.9	Very high	90.5	Very high	105 Å²	105	64.4 Å²	64.4	49%	0.491	31%	0.312	S	S	.	.	H	α-helix	trans	-68	-42.8	172.5	-179.3	168.7	-15.6	0	0	111.2	P480 V481 W482 F486 K487 M488	P480-Q484 WeakPolarHBondContact O-CB 3.48Å; P480-Q484 PolarHBondContact O-N 3.17Å; V481-Q484 PolarHBondContact O-N 3.47Å; W482-Q484 VanDerWaalsContact C-N 3.29Å; W482-Q484 PolarHBondContact O-N 2.82Å; Q484-F486 PolarHBondContact O-N 3.38Å; Q484-K487 WeakPolarHBondContact O-CB 3Å; Q484-K487 PolarHBondContact O-N 2.99Å; Q484-M488 HydrophobicContact CG-CG 4.36Å; Q484-M488 VanDerWaalsContact O-CG 3.24Å; Q484-M488 WeakPolarHBondContact O-CG 3.19Å; Q484-M488 PolarHBondContact O-N 2.9Å
485	Y	90.3	Very high	90.7	Very high	49 Å²	49	58.9 Å²	58.9	19%	0.192	29%	0.289	C	S	.	.	H	α-helix	trans	-59.7	-45.2	177.4	-172.5	-107.3	0	0	0	112.4	H461 P467 V481 W482 K487 M488 I489	H461-Y485 AromaticContact CE1-CE2 3.93Å; P467-Y485 HydrophobicContact CG-CD1 3.92Å; P467-Y485 HydrophobicContact CG-CD2 4.24Å; P467-Y485 HydrophobicContact CG-CE1 4.28Å; P467-Y485 HydrophobicContact CG-CG 3.89Å; V481-Y485 WeakPolarHBondContact O-CB 3.41Å; V481-Y485 PolarHBondContact O-N 3.02Å; W482-Y485 HydrophobicContact CE3-CD1 4.05Å; W482-Y485 AromaticContact CZ3-CD1 3.87Å; W482-Y485 HydrophobicContact CZ3-CD1 3.87Å; W482-Y485 HydrophobicContact CZ3-CE1 4.18Å; W482-Y485 WeakPolarHBondContact O-CB 3.16Å; W482-Y485 PolarHBondContact O-N 3.26Å; W482-Y485 VanDerWaalsContact O-N 3.11Å; Y485-K487 PolarHBondContact O-N 3.22Å; Y485-M488 PolarHBondContact O-N 3.47Å; Y485-M488 VanDerWaalsContact O-N 3.16Å; Y485-I489 HydrophobicContact CD1-CD1 3.63Å; Y485-I489 HydrophobicContact CD1-CG1 4.44Å; Y485-I489 HydrophobicContact CE1-CD1 3.27Å; Y485-I489 HydrophobicContact CE1-CG1 4.18Å; Y485-I489 HydrophobicContact CG-CD1 4.43Å; Y485-I489 WeakPolarHBondContact O-CG1 3.35Å; Y485-I489 PolarHBondContact O-N 3.49Å
486	F	91.4	Very high	90.8	Very high	16 Å²	16	56.4 Å²	56.4	7%	0.07	28%	0.28	C	S	.	.	H	α-helix	trans	-60.4	-42.4	175	-59.1	-39.5	0	0	0	112.7	F64 F68 V69 W482 Q484 M488 I489 T490	F64-F486 HydrophobicContact CE1-CE1 4.36Å; F64-F486 HydrophobicContact CE2-CE1 4.07Å; F64-F486 HydrophobicContact CZ-CD1 4.15Å; F64-F486 AromaticContact CZ-CE1 3.56Å; F64-F486 HydrophobicContact CZ-CE1 3.56Å; F68-F486 HydrophobicContact CB-CD1 3.74Å; F68-F486 HydrophobicContact CB-CE1 3.57Å; F68-F486 HydrophobicContact CB-CE2 4.42Å; F68-F486 HydrophobicContact CB-CG 4.25Å; F68-F486 HydrophobicContact CB-CZ 3.95Å; F68-F486 HydrophobicContact CD1-CD2 4.37Å; F68-F486 AromaticContact CD1-CE1 3.82Å; F68-F486 HydrophobicContact CD1-CE1 3.82Å; F68-F486 AromaticContact CD1-CE2 3.6Å; F68-F486 HydrophobicContact CD1-CE2 3.6Å; F68-F486 AromaticContact CD1-CZ 3.28Å; F68-F486 HydrophobicContact CD1-CZ 3.28Å; F68-F486 HydrophobicContact CD2-CE1 4.23Å; F68-F486 HydrophobicContact CD2-CZ 4.32Å; F68-F486 HydrophobicContact CE1-CE2 4.23Å; F68-F486 AromaticContact CE1-CZ 3.83Å; F68-F486 HydrophobicContact CE1-CZ 3.83Å; F68-F486 HydrophobicContact CG-CD1 4.28Å; F68-F486 AromaticContact CG-CE1 3.6Å; F68-F486 HydrophobicContact CG-CE1 3.6Å; F68-F486 HydrophobicContact CG-CE2 4.22Å; F68-F486 AromaticContact CG-CZ 3.58Å; F68-F486 HydrophobicContact CG-CZ 3.58Å; V69-F486 HydrophobicContact CG1-CB 3.95Å; V69-F486 HydrophobicContact CG1-CD1 4.35Å; V69-F486 WeakPolarHBondContact CG1-O 3.44Å; W482-F486 HydrophobicContact CB-CE2 4.2Å; W482-F486 HydrophobicContact CB-CZ 4.35Å; W482-F486 HydrophobicContact CD2-CZ 4.29Å; W482-F486 HydrophobicContact CE3-CD1 4.4Å; W482-F486 AromaticContact CE3-CE1 3.57Å; W482-F486 HydrophobicContact CE3-CE1 3.57Å; W482-F486 HydrophobicContact CE3-CE2 4.49Å; W482-F486 AromaticContact CE3-CZ 3.62Å; W482-F486 HydrophobicContact CE3-CZ 3.62Å; W482-F486 AromaticContact CZ3-CE1 3.95Å; W482-F486 HydrophobicContact CZ3-CE1 3.95Å; W482-F486 HydrophobicContact CZ3-CZ 4.32Å; W482-F486 VanDerWaalsContact O-CD2 3.25Å; W482-F486 WeakPolarHBondContact O-CD2 3.31Å; W482-F486 VanDerWaalsContact O-CG 3.3Å; W482-F486 WeakPolarHBondContact O-CG 3.47Å; W482-F486 PolarHBondContact O-N 3.31Å; Q484-F486 PolarHBondContact O-N 3.38Å; F486-M488 VanDerWaalsContact C-N 3.32Å; F486-M488 PolarHBondContact O-N 2.86Å; F486-I489 PolarHBondContact O-N 2.87Å; F486-T490 PolarHBondContact O-N 3.41Å; F486-T490 PolarHBondContact O-OG1 3.04Å
487	K	90.5	Very high	91	Very high	140 Å²	140	56.8 Å²	56.8	61%	0.609	28%	0.281	S	S	*	.	H	α-helix	trans	-62.2	-41.8	174.9	-71.1	170.4	-174	173.8	0	111.2	N483 Q484 Y485 T490 I491	N483-K487 WeakPolarHBondContact O-CG 3.32Å; N483-K487 PolarHBondContact O-N 3.43Å; Q484-K487 WeakPolarHBondContact O-CB 3Å; Q484-K487 PolarHBondContact O-N 2.99Å; Y485-K487 PolarHBondContact O-N 3.22Å; K487-T490 PolarHBondContact O-N 3.21Å; K487-I491 PolarHBondContact O-N 3.02Å
488	M	90.5	Very high	91.2	Very high	31 Å²	31	56.5 Å²	56.5	15%	0.153	28%	0.28	C	S	.	.	H	α-helix	trans	-68.6	-40.5	179.9	-68.5	-70.1	83	0	0	112.8	I460 Q464 Q484 Y485 F486 T490 I491 K492	I460-M488 HydrophobicContact CG2-SD 3.96Å; Q464-M488 HydrophobicContact CG-CB 4.26Å; Q464-M488 HydrophobicContact CG-CG 3.85Å; Q464-M488 HydrophobicContact CG-SD 4.38Å; Q484-M488 HydrophobicContact CG-CG 4.36Å; Q484-M488 VanDerWaalsContact O-CG 3.24Å; Q484-M488 WeakPolarHBondContact O-CG 3.19Å; Q484-M488 PolarHBondContact O-N 2.9Å; Y485-M488 PolarHBondContact O-N 3.47Å; Y485-M488 VanDerWaalsContact O-N 3.16Å; F486-M488 VanDerWaalsContact C-N 3.32Å; F486-M488 PolarHBondContact O-N 2.86Å; M488-T490 VanDerWaalsContact C-N 3.27Å; M488-T490 PolarHBondContact O-N 2.92Å; M488-I491 HydrophobicContact CE-CB 4.15Å; M488-I491 HydrophobicContact CE-CD1 3.27Å; M488-I491 HydrophobicContact CE-CG1 4.23Å; M488-I491 PolarHBondContact O-N 2.98Å; M488-K492 VanDerWaalsContact O-CB 3.23Å; M488-K492 WeakPolarHBondContact O-CB 3.48Å; M488-K492 PolarHBondContact O-N 3.42Å
489	I	90.2	Very high	91.4	Very high	14 Å²	14	48.9 Å²	48.9	7%	0.072	25%	0.249	C	C	.	.	H	α-helix	trans	-56.6	-45.5	170.1	-74.9	170.8	0	0	0	110.6	W61 F64 V69 A72 Y485 F486 K492 A493	W61-I489 HydrophobicContact CH2-CD1 4.16Å; W61-I489 HydrophobicContact CH2-CG2 3.77Å; W61-I489 HydrophobicContact CZ2-CG2 4.39Å; W61-I489 HydrophobicContact CZ3-CD1 4.32Å; F64-I489 HydrophobicContact CE1-CD1 4.3Å; V69-I489 HydrophobicContact CB-CG2 4.25Å; V69-I489 HydrophobicContact CG1-CB 4.31Å; V69-I489 HydrophobicContact CG1-CG2 4.01Å; V69-I489 HydrophobicContact CG2-CG2 3.97Å; A72-I489 HydrophobicContact CB-CG2 4.48Å; Y485-I489 HydrophobicContact CD1-CD1 3.63Å; Y485-I489 HydrophobicContact CD1-CG1 4.44Å; Y485-I489 HydrophobicContact CE1-CD1 3.27Å; Y485-I489 HydrophobicContact CE1-CG1 4.18Å; Y485-I489 HydrophobicContact CG-CD1 4.43Å; Y485-I489 WeakPolarHBondContact O-CG1 3.35Å; Y485-I489 PolarHBondContact O-N 3.49Å; F486-I489 PolarHBondContact O-N 2.87Å; I489-K492 WeakPolarHBondContact O-CB 3.2Å; I489-K492 PolarHBondContact O-N 3.11Å; I489-A493 PolarHBondContact O-N 3.04Å
490	T	90.4	Very high	91.5	Very high	33 Å²	33	47.5 Å²	47.5	20%	0.202	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-48.3	-178.6	-56.2	0	0	0	0	111.4	F486 K487 M488 K492 A493 F494	F486-T490 PolarHBondContact O-N 3.41Å; F486-T490 PolarHBondContact O-OG1 3.04Å; K487-T490 PolarHBondContact O-N 3.21Å; M488-T490 VanDerWaalsContact C-N 3.27Å; M488-T490 PolarHBondContact O-N 2.92Å; T490-K492 PolarHBondContact O-N 3.43Å; T490-A493 PolarHBondContact O-N 2.62Å; T490-F494 HydrophobicContact CG2-CD2 4.28Å; T490-F494 HydrophobicContact CG2-CE2 4.06Å; T490-F494 VanDerWaalsContact O-CD2 3.31Å; T490-F494 WeakPolarHBondContact O-CD2 3.45Å; T490-F494 PolarHBondContact O-N 2.78Å
491	I	89.6	Confident	91.7	Very high	94 Å²	94	43.1 Å²	43.1	48%	0.482	21%	0.214	S	C	.	.	H	α-helix	trans	-60.5	-38.4	175.7	-73.8	163.8	0	0	0	111	K487 M488 F494 G495	K487-I491 PolarHBondContact O-N 3.02Å; M488-I491 HydrophobicContact CE-CB 4.15Å; M488-I491 HydrophobicContact CE-CD1 3.27Å; M488-I491 HydrophobicContact CE-CG1 4.23Å; M488-I491 PolarHBondContact O-N 2.98Å; I491-F494 PolarHBondContact O-N 3.21Å; I491-G495 PolarHBondContact O-N 3.5Å
492	K	89.8	Confident	91.8	Very high	46 Å²	46	41.6 Å²	41.6	20%	0.2	20%	0.204	C	C	.	.	H	α-helix	trans	-61	-47	176.5	-175.7	177.5	-172.2	-58	0	112.5	V457 H461 M488 I489 T490 F494 G495 D496	V457-K492 VanDerWaalsContact CG1-CA 3.46Å; V457-K492 HydrophobicContact CG1-CB 3.98Å; V457-K492 HydrophobicContact CG1-CG 3.95Å; H461-K492 HydrophobicContact CB-CD 4.07Å; M488-K492 VanDerWaalsContact O-CB 3.23Å; M488-K492 WeakPolarHBondContact O-CB 3.48Å; M488-K492 PolarHBondContact O-N 3.42Å; I489-K492 WeakPolarHBondContact O-CB 3.2Å; I489-K492 PolarHBondContact O-N 3.11Å; T490-K492 PolarHBondContact O-N 3.43Å; K492-F494 VanDerWaalsContact C-N 3.33Å; K492-F494 PolarHBondContact O-N 3.14Å; K492-G495 PolarHBondContact O-N 3.15Å; K492-G495 VanDerWaalsContact O-N 3.11Å; K492-D496 IonicContact NZ-OD1 2.62Å; K492-D496 IonicContact NZ-OD2 3.3Å; K492-D496 PolarHBondContact NZ-OD2 2.83Å; K492-D496 WeakPolarHBondContact O-CB 3.27Å; K492-D496 PolarHBondContact O-N 2.95Å
493	A	90.5	Very high	92.1	Very high	7 Å²	7	42 Å²	42	6%	0.058	21%	0.206	C	C	.	.	H	α-helix	trans	-55.6	-47.5	177	0	0	0	0	0	111.8	A72 I489 T490 G495 D496 E497	A72-A493 HydrophobicContact CB-CB 3.72Å; I489-A493 PolarHBondContact O-N 3.04Å; T490-A493 PolarHBondContact O-N 2.62Å; A493-G495 PolarHBondContact O-N 3.45Å; A493-D496 PolarHBondContact O-N 3.44Å; A493-E497 WeakPolarHBondContact O-CG 3.38Å; A493-E497 PolarHBondContact O-N 3.12Å
494	F	91.2	Very high	92.4	Very high	93 Å²	93	39.3 Å²	39.3	41%	0.408	19%	0.192	S	C	.	.	H	α-helix	trans	-61.7	-42.1	175.2	-80.4	-81.5	0	0	0	113.2	T71 V75 T490 I491 K492 E497 I498	T71-F494 HydrophobicContact CG2-CE2 4.06Å; T71-F494 HydrophobicContact CG2-CZ 4.09Å; V75-F494 HydrophobicContact CG1-CD1 4.29Å; V75-F494 HydrophobicContact CG1-CE1 4.42Å; V75-F494 HydrophobicContact CG2-CD1 4.23Å; V75-F494 HydrophobicContact CG2-CE1 3.59Å; V75-F494 HydrophobicContact CG2-CE2 4.07Å; V75-F494 HydrophobicContact CG2-CZ 3.5Å; V75-F494 VanDerWaalsContact CG2-CZ 3.5Å; T490-F494 HydrophobicContact CG2-CD2 4.28Å; T490-F494 HydrophobicContact CG2-CE2 4.06Å; T490-F494 VanDerWaalsContact O-CD2 3.31Å; T490-F494 WeakPolarHBondContact O-CD2 3.45Å; T490-F494 PolarHBondContact O-N 2.78Å; I491-F494 PolarHBondContact O-N 3.21Å; K492-F494 VanDerWaalsContact C-N 3.33Å; K492-F494 PolarHBondContact O-N 3.14Å; F494-E497 PolarHBondContact O-N 2.91Å; F494-I498 VanDerWaalsContact O-CG1 3.27Å; F494-I498 WeakPolarHBondContact O-CG1 3.22Å; F494-I498 PolarHBondContact O-N 3.22Å
495	G	92	Very high	92.7	Very high	4 Å²	4	37 Å²	37	4%	0.041	18%	0.18	C	C	.	.	H	α-helix	trans	-62.2	-43.9	177.3	0	0	0	0	0	112.6	I491 K492 A493 I498 A499	I491-G495 PolarHBondContact O-N 3.5Å; K492-G495 PolarHBondContact O-N 3.15Å; K492-G495 VanDerWaalsContact O-N 3.11Å; A493-G495 PolarHBondContact O-N 3.45Å; G495-I498 PolarHBondContact O-N 3.39Å; G495-A499 VanDerWaalsContact O-CB 3.31Å; G495-A499 WeakPolarHBondContact O-CB 3.45Å; G495-A499 PolarHBondContact O-N 3.24Å
496	D	91.4	Very high	92.8	Very high	55 Å²	55	34.9 Å²	34.9	29%	0.294	17%	0.172	S	C	.	.	H	α-helix	trans	-64.3	-41.3	178.1	-71.2	-12.3	0	0	0	111.3	K492 A493 A499 L500	K492-D496 IonicContact NZ-OD1 2.62Å; K492-D496 IonicContact NZ-OD2 3.3Å; K492-D496 PolarHBondContact NZ-OD2 2.83Å; K492-D496 WeakPolarHBondContact O-CB 3.27Å; K492-D496 PolarHBondContact O-N 2.95Å; A493-D496 PolarHBondContact O-N 3.44Å; D496-A499 CarbonylContact O-C 3.59Å; D496-A499 WeakPolarHBondContact O-CB 3.49Å; D496-A499 PolarHBondContact O-N 3.25Å; D496-L500 WeakPolarHBondContact O-CB 3.44Å; D496-L500 PolarHBondContact O-N 2.93Å
497	E	92.3	Very high	93.1	Very high	8 Å²	8	36 Å²	36	4%	0.037	18%	0.177	C	C	.	.	H	α-helix	trans	-66.5	-44.4	176.1	-71.4	-48.2	130.3	0	0	112.6	V75 V79 T80 Y83 A493 F494 A499 L500 S501	V75-E497 HydrophobicContact CG1-CB 4.18Å; V75-E497 HydrophobicContact CG1-CG 3.44Å; V75-E497 VanDerWaalsContact CG1-CG 3.44Å; V79-E497 HydrophobicContact CB-CG 4.35Å; V79-E497 HydrophobicContact CG1-CB 4.21Å; V79-E497 HydrophobicContact CG1-CG 4.34Å; T80-E497 VanDerWaalsContact CG2-CD 3.44Å; T80-E497 WeakPolarHBondContact CG2-OE1 3.26Å; T80-E497 WeakPolarHBondContact CG2-OE2 3.5Å; Y83-E497 HydrophobicContact CE2-CB 4.24Å; Y83-E497 WeakPolarHBondContact CE2-O 3.4Å; Y83-E497 VanDerWaalsContact CE2-OE2 3.27Å; Y83-E497 WeakPolarHBondContact CE2-OE2 3.14Å; Y83-E497 PolarHBondContact OH-O 3.08Å; A493-E497 WeakPolarHBondContact O-CG 3.38Å; A493-E497 PolarHBondContact O-N 3.12Å; F494-E497 PolarHBondContact O-N 2.91Å; E497-A499 PolarHBondContact O-N 2.93Å; E497-L500 PolarHBondContact O-N 2.99Å; E497-L500 VanDerWaalsContact O-N 3.16Å; E497-S501 PolarHBondContact O-N 3.43Å; E497-S501 VanDerWaalsContact O-N 3.11Å
498	I	93.3	Very high	93.4	Very high	76 Å²	76	33.2 Å²	33.2	39%	0.39	17%	0.168	S	C	.	.	H	α-helix	trans	-61.4	-40.2	174.4	-65	165.5	0	0	0	109.7	T450 L453 F494 G495 S501	T450-I498 WeakPolarHBondContact CG2-O 3.35Å; L453-I498 HydrophobicContact CD2-CB 3.92Å; L453-I498 HydrophobicContact CD2-CD1 3.99Å; L453-I498 HydrophobicContact CD2-CG2 3.52Å; F494-I498 VanDerWaalsContact O-CG1 3.27Å; F494-I498 WeakPolarHBondContact O-CG1 3.22Å; F494-I498 PolarHBondContact O-N 3.22Å; G495-I498 PolarHBondContact O-N 3.39Å; I498-S501 WeakPolarHBondContact O-CB 3.45Å; I498-S501 PolarHBondContact O-N 2.84Å; I498-S501 PolarHBondContact O-OG 3.45Å
499	A	94.5	Very high	93.7	Very high	16 Å²	16	32.8 Å²	32.8	13%	0.132	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-47.5	174.1	0	0	0	0	0	110.9	G495 D496 E497 S501 H502	G495-A499 VanDerWaalsContact O-CB 3.31Å; G495-A499 WeakPolarHBondContact O-CB 3.45Å; G495-A499 PolarHBondContact O-N 3.24Å; D496-A499 CarbonylContact O-C 3.59Å; D496-A499 WeakPolarHBondContact O-CB 3.49Å; D496-A499 PolarHBondContact O-N 3.25Å; E497-A499 PolarHBondContact O-N 2.93Å; A499-S501 PolarHBondContact O-N 3.44Å; A499-S501 VanDerWaalsContact O-N 3.16Å; A499-H502 PolarHBondContact O-CE1 3.37Å; A499-H502 PolarHBondContact O-N 2.85Å; A499-H502 PolarHBondContact O-ND1 3.48Å
500	L	94.3	Very high	94.1	Very high	14 Å²	14	32.1 Å²	32.1	7%	0.073	16%	0.163	C	C	.	.	H	α-helix	trans	-61.4	-27.7	-177.9	-165.2	69.6	0	0	0	113.2	T80 Y83 A127 D496 E497 H502 Y503	T80-L500 HydrophobicContact CG2-CD2 4.26Å; Y83-L500 HydrophobicContact CD2-CB 4.3Å; Y83-L500 HydrophobicContact CD2-CD2 4Å; Y83-L500 HydrophobicContact CD2-CG 4.29Å; Y83-L500 HydrophobicContact CE2-CB 4.38Å; A127-L500 HydrophobicContact CB-CD1 4.3Å; D496-L500 WeakPolarHBondContact O-CB 3.44Å; D496-L500 PolarHBondContact O-N 2.93Å; E497-L500 PolarHBondContact O-N 2.99Å; E497-L500 VanDerWaalsContact O-N 3.16Å; L500-H502 PolarHBondContact O-N 3.5Å; L500-H502 VanDerWaalsContact O-N 3.11Å; L500-Y503 HydrophobicContact CD1-CD2 3.89Å; L500-Y503 HydrophobicContact CD1-CE2 4.36Å; L500-Y503 WeakPolarHBondContact O-CD2 3.37Å; L500-Y503 PolarHBondContact O-N 3.39Å; L500-Y503 VanDerWaalsContact O-N 3.08Å
501	S	96.3	Very high	94.4	Very high	4 Å²	4	34.6 Å²	34.6	3%	0.028	17%	0.169	C	C	.	.	H	α-helix	trans	-56.6	-28.3	-177.7	75.2	0	0	0	0	115.3	Y446 E497 I498 A499 Y503 A504 F505	Y446-S501 WeakPolarHBondContact OH-CB 3.38Å; Y446-S501 PolarHBondContact OH-OG 2.97Å; E497-S501 PolarHBondContact O-N 3.43Å; E497-S501 VanDerWaalsContact O-N 3.11Å; I498-S501 WeakPolarHBondContact O-CB 3.45Å; I498-S501 PolarHBondContact O-N 2.84Å; I498-S501 PolarHBondContact O-OG 3.45Å; A499-S501 PolarHBondContact O-N 3.44Å; A499-S501 VanDerWaalsContact O-N 3.16Å; S501-Y503 VanDerWaalsContact C-N 3.27Å; S501-Y503 PolarHBondContact O-N 3.18Å; S501-A504 PolarHBondContact O-N 3.47Å; S501-F505 PolarHBondContact O-N 3.31Å
502	H	96	Very high	94.7	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.019	17%	0.172	C	C	.	.	H	α-helix	trans	-70.8	-21.8	178.8	80	-81.2	0	0	0	114.4	Y446 T450 A499 L500 A504 S506	Y446-H502 HydrophobicContact CD1-CB 3.82Å; Y446-H502 HydrophobicContact CE1-CB 3.72Å; T450-H502 HydrophobicContact CG2-CB 4.11Å; T450-H502 VanDerWaalsContact OG1-CB 3.31Å; T450-H502 WeakPolarHBondContact OG1-CB 3.48Å; T450-H502 VanDerWaalsContact OG1-CG 3.28Å; T450-H502 PolarHBondContact OG1-ND1 2.68Å; A499-H502 PolarHBondContact O-CE1 3.37Å; A499-H502 PolarHBondContact O-N 2.85Å; A499-H502 PolarHBondContact O-ND1 3.48Å; L500-H502 PolarHBondContact O-N 3.5Å; L500-H502 VanDerWaalsContact O-N 3.11Å; H502-A504 VanDerWaalsContact C-N 3.31Å; H502-S506 PolarHBondContact O-OG 3.31Å
503	Y	97.2	Very high	94.9	Very high	16 Å²	16	32.4 Å²	32.4	6%	0.063	17%	0.171	C	C	.	.	H	α-helix	trans	-76.2	-20.8	169.8	-53.5	-65	0	0	0	111.9	N91 D120 V123 Q158 L500 S501	N91-Y503 PolarHBondContact ND2-O 2.88Å; D120-Y503 HydrophobicContact CB-CD1 4.39Å; D120-Y503 WeakPolarHBondContact OD1-CD1 3.4Å; V123-Y503 HydrophobicContact CB-CD1 4.25Å; V123-Y503 HydrophobicContact CB-CE1 4.5Å; V123-Y503 HydrophobicContact CB-CG 4.4Å; V123-Y503 HydrophobicContact CG1-CD1 3.97Å; V123-Y503 HydrophobicContact CG1-CD2 3.77Å; V123-Y503 HydrophobicContact CG1-CE1 4.08Å; V123-Y503 HydrophobicContact CG1-CE2 3.89Å; V123-Y503 HydrophobicContact CG1-CG 3.8Å; V123-Y503 HydrophobicContact CG2-CD1 4.18Å; V123-Y503 HydrophobicContact CG2-CE1 4.07Å; Q158-Y503 PolarHBondContact O-OH 3.45Å; L500-Y503 HydrophobicContact CD1-CD2 3.89Å; L500-Y503 HydrophobicContact CD1-CE2 4.36Å; L500-Y503 WeakPolarHBondContact O-CD2 3.37Å; L500-Y503 PolarHBondContact O-N 3.39Å; L500-Y503 VanDerWaalsContact O-N 3.08Å; S501-Y503 VanDerWaalsContact C-N 3.27Å; S501-Y503 PolarHBondContact O-N 3.18Å
504	A	97.3	Very high	95.1	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-98.6	-37.6	-178.2	0	0	0	0	0	113.9	Y83 S501 H502	Y83-A504 HydrophobicContact CD1-CB 4.02Å; Y83-A504 HydrophobicContact CG-CB 4.21Å; Y83-A504 WeakPolarHBondContact O-CB 3.46Å; S501-A504 PolarHBondContact O-N 3.47Å; H502-A504 VanDerWaalsContact C-N 3.31Å
505	F	97.1	Very high	95.1	Very high	56 Å²	56	29.8 Å²	29.8	25%	0.246	16%	0.163	C	C	.	.	H	α-helix	trans	-90.3	-2.1	-168.5	-68	-6.5	0	0	0	115.1	Y83 L86 Y446 S501 F507 I508 I509	Y83-F505 AromaticContact CD1-CE1 3.95Å; Y83-F505 HydrophobicContact CD1-CE1 3.95Å; Y83-F505 HydrophobicContact CD1-CZ 4.13Å; Y83-F505 HydrophobicContact CE1-CE1 4.01Å; Y83-F505 HydrophobicContact CE1-CE2 4.37Å; Y83-F505 AromaticContact CE1-CZ 3.7Å; Y83-F505 HydrophobicContact CE1-CZ 3.7Å; L86-F505 HydrophobicContact CD1-CD1 4.28Å; L86-F505 HydrophobicContact CD1-CE1 3.6Å; Y446-F505 HydrophobicContact CE1-CB 4.12Å; Y446-F505 HydrophobicContact CE1-CD2 4.5Å; Y446-F505 VanDerWaalsContact OH-CD2 3.28Å; Y446-F505 WeakPolarHBondContact OH-CD2 3.38Å; S501-F505 PolarHBondContact O-N 3.31Å; F505-F507 VanDerWaalsContact C-N 3.3Å; F505-F507 PolarHBondContact O-N 3.42Å; F505-I508 HydrophobicContact CB-CD1 4.49Å; F505-I508 HydrophobicContact CD1-CD1 3.84Å; F505-I508 HydrophobicContact CE1-CD1 4.38Å; F505-I508 HydrophobicContact CG-CD1 4.24Å; F505-I508 WeakPolarHBondContact O-CB 3.02Å; F505-I508 PolarHBondContact O-N 3.04Å; F505-I509 PolarHBondContact O-N 2.85Å; F505-I509 VanDerWaalsContact O-N 3.1Å
506	S	94.2	Very high	95	Very high	4 Å²	4	31 Å²	31	3%	0.028	17%	0.169	C	C	.	.	H	α-helix	trans	-47.4	-48.3	177.2	-80.2	0	0	0	0	113.1	H502 I508 I509 Y510	H502-S506 PolarHBondContact O-OG 3.31Å; S506-I508 PolarHBondContact O-N 3.14Å; S506-I509 PolarHBondContact O-N 3.47Å; S506-Y510 WeakPolarHBondContact O-CD1 3.5Å; S506-Y510 WeakPolarHBondContact O-CD2 3.31Å; S506-Y510 WeakPolarHBondContact O-CE2 3.47Å; S506-Y510 PolarHBondContact O-N 3.48Å
507	F	96.6	Very high	95.2	Very high	41 Å²	41	28.5 Å²	28.5	18%	0.18	16%	0.155	C	C	.	.	H	α-helix	trans	-58.5	-42.9	177.3	174.3	-98.3	0	0	0	113.6	G90 I93 S94 F505 I509 Y510 Y511 F517 V521	G90-F507 VanDerWaalsContact CA-CB 3.47Å; G90-F507 WeakPolarHBondContact O-CB 3.34Å; G90-F507 WeakPolarHBondContact O-CD2 3.11Å; I93-F507 HydrophobicContact CB-CD2 4.38Å; I93-F507 HydrophobicContact CB-CE2 4.1Å; I93-F507 HydrophobicContact CG2-CD2 4.28Å; I93-F507 HydrophobicContact CG2-CE2 3.63Å; I93-F507 HydrophobicContact CG2-CZ 4.44Å; S94-F507 WeakPolarHBondContact OG-CD2 3.28Å; F505-F507 VanDerWaalsContact C-N 3.3Å; F505-F507 PolarHBondContact O-N 3.42Å; F507-I509 VanDerWaalsContact C-N 3.32Å; F507-I509 PolarHBondContact O-N 2.95Å; F507-Y510 PolarHBondContact O-N 3.29Å; F507-Y511 WeakPolarHBondContact O-CB 3.38Å; F507-Y511 PolarHBondContact O-N 2.95Å; F507-F517 AromaticContact CD2-CE1 3.82Å; F507-F517 HydrophobicContact CD2-CE1 3.82Å; F507-F517 AromaticContact CD2-CZ 3.73Å; F507-F517 HydrophobicContact CD2-CZ 3.73Å; F507-F517 AromaticContact CE2-CE1 3.74Å; F507-F517 HydrophobicContact CE2-CE1 3.74Å; F507-F517 AromaticContact CE2-CZ 3.87Å; F507-F517 HydrophobicContact CE2-CZ 3.87Å; F507-V521 HydrophobicContact CE2-CG2 4.08Å; F507-V521 HydrophobicContact CZ-CG2 4.42Å
508	I	97	Very high	95.3	Very high	81 Å²	81	31.7 Å²	31.7	42%	0.415	17%	0.167	S	C	.	.	H	α-helix	trans	-62.6	-44.8	-179.4	-58.4	174.9	0	0	0	109.3	L86 F505 S506 Y511 A512	L86-I508 HydrophobicContact CD1-CD1 4.41Å; F505-I508 HydrophobicContact CB-CD1 4.49Å; F505-I508 HydrophobicContact CD1-CD1 3.84Å; F505-I508 HydrophobicContact CE1-CD1 4.38Å; F505-I508 HydrophobicContact CG-CD1 4.24Å; F505-I508 WeakPolarHBondContact O-CB 3.02Å; F505-I508 PolarHBondContact O-N 3.04Å; S506-I508 PolarHBondContact O-N 3.14Å; I508-Y511 PolarHBondContact O-N 3.5Å; I508-A512 WeakPolarHBondContact O-CB 3.36Å; I508-A512 PolarHBondContact O-N 2.69Å
509	I	97.3	Very high	95.3	Very high	22 Å²	22	32.4 Å²	32.4	11%	0.113	17%	0.169	C	C	.	.	H	α-helix	trans	-63	-47	177.3	-61.1	171.3	0	0	0	110.5	T442 V443 Y446 F505 S506 F507 Y511 A512 T513	T442-I509 HydrophobicContact CG2-CG2 3.63Å; V443-I509 HydrophobicContact CG2-CB 4.3Å; V443-I509 HydrophobicContact CG2-CG2 3.56Å; Y446-I509 HydrophobicContact CD1-CD1 3.51Å; Y446-I509 HydrophobicContact CE1-CD1 4.18Å; Y446-I509 HydrophobicContact CG-CD1 3.77Å; F505-I509 PolarHBondContact O-N 2.85Å; F505-I509 VanDerWaalsContact O-N 3.1Å; S506-I509 PolarHBondContact O-N 3.47Å; F507-I509 VanDerWaalsContact C-N 3.32Å; F507-I509 PolarHBondContact O-N 2.95Å; I509-Y511 VanDerWaalsContact C-N 3.33Å; I509-Y511 PolarHBondContact O-N 2.87Å; I509-A512 PolarHBondContact O-N 2.9Å; I509-T513 PolarHBondContact O-N 3.17Å; I509-T513 PolarHBondContact O-OG1 3.09Å
510	Y	97.2	Very high	95.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.5	-43.3	177.8	-57	-33.3	0	0	0	111.9	W98 L113 M439 V443 S506 F507 G514 F517	W98-Y510 HydrophobicContact CZ2-CD1 4.42Å; W98-Y510 HydrophobicContact CZ2-CG 4.25Å; W98-Y510 AromaticContact NE1-CD2 3.65Å; W98-Y510 AromaticContact NE1-CE2 3.76Å; L113-Y510 HydrophobicContact CD2-CE1 3.8Å; M439-Y510 HydrophobicContact CG-CD1 4.02Å; M439-Y510 HydrophobicContact SD-CD1 4.02Å; V443-Y510 HydrophobicContact CB-CE1 4.43Å; V443-Y510 HydrophobicContact CG1-CE1 4.25Å; V443-Y510 HydrophobicContact CG2-CD1 3.76Å; V443-Y510 HydrophobicContact CG2-CE1 3.38Å; S506-Y510 WeakPolarHBondContact O-CD1 3.5Å; S506-Y510 WeakPolarHBondContact O-CD2 3.31Å; S506-Y510 WeakPolarHBondContact O-CE2 3.47Å; S506-Y510 PolarHBondContact O-N 3.48Å; F507-Y510 PolarHBondContact O-N 3.29Å; Y510-G514 VanDerWaalsContact O-CA 3.26Å; Y510-G514 WeakPolarHBondContact O-CA 3.42Å; Y510-G514 PolarHBondContact O-N 3.25Å; Y510-F517 HydrophobicContact CD2-CE2 4.39Å; Y510-F517 HydrophobicContact CD2-CZ 4.23Å
511	Y	96.6	Very high	95.2	Very high	84 Å²	84	32.9 Å²	32.9	33%	0.329	17%	0.167	S	C	.	.	H	α-helix	trans	-66.8	-42.4	179.4	-176.2	-93.3	0	0	0	112.4	F507 I508 I509 R518 V521 H522	F507-Y511 WeakPolarHBondContact O-CB 3.38Å; F507-Y511 PolarHBondContact O-N 2.95Å; I508-Y511 PolarHBondContact O-N 3.5Å; I509-Y511 VanDerWaalsContact C-N 3.33Å; I509-Y511 PolarHBondContact O-N 2.87Å; Y511-R518 HydrophobicContact CD2-CB 4.26Å; Y511-R518 HydrophobicContact CD2-CG 4.01Å; Y511-R518 HydrophobicContact CE2-CB 4.35Å; Y511-R518 HydrophobicContact CE2-CG 3.63Å; Y511-R518 PolarHBondContact O-NH1 3.2Å; Y511-V521 HydrophobicContact CD2-CB 4.32Å; Y511-V521 HydrophobicContact CD2-CG1 4.25Å; Y511-V521 HydrophobicContact CD2-CG2 4.22Å; Y511-V521 HydrophobicContact CE2-CB 4.34Å; Y511-V521 HydrophobicContact CE2-CG1 4.09Å; Y511-H522 AromaticContact CE2-NE2 3.77Å; Y511-H522 AromaticContact CZ-NE2 3.76Å; Y511-H522 PolarHBondContact OH-NE2 3.26Å
512	A	96.1	Very high	95	Very high	66 Å²	66	34 Å²	34	55%	0.545	17%	0.172	S	C	.	.	H	α-helix	trans	-67	-46.7	179.9	0	0	0	0	0	112	I508 I509 R518	I508-A512 WeakPolarHBondContact O-CB 3.36Å; I508-A512 PolarHBondContact O-N 2.69Å; I509-A512 PolarHBondContact O-N 2.9Å; A512-R518 PolarHBondContact O-NH1 3.39Å; A512-R518 VanDerWaalsContact O-NH1 3.09Å
513	T	95.4	Very high	94.8	Very high	29 Å²	29	37.7 Å²	37.7	18%	0.178	19%	0.189	C	C	.	.	H	α-helix	trans	-100.7	-24.8	-168	62.3	0	0	0	0	114.4	S435 M439 T442 I509	S435-T513 PolarHBondContact OG-O 3.3Å; M439-T513 VanDerWaalsContact CA-OG1 3.26Å; M439-T513 WeakPolarHBondContact CA-OG1 3.35Å; M439-T513 VanDerWaalsContact CB-OG1 3.3Å; M439-T513 WeakPolarHBondContact CB-OG1 3.1Å; M439-T513 VanDerWaalsContact CG-OG1 3.3Å; M439-T513 WeakPolarHBondContact CG-OG1 3.24Å; T442-T513 HydrophobicContact CG2-CG2 4.13Å; I509-T513 PolarHBondContact O-N 3.17Å; I509-T513 PolarHBondContact O-OG1 3.09Å
514	G	93.6	Very high	94.5	Very high	2 Å²	2	39.3 Å²	39.3	2%	0.021	20%	0.199	C	C	.	.			trans	-96.9	102.3	-175.1	0	0	0	0	0	113.9	Y510 N516 F517 R518	Y510-G514 VanDerWaalsContact O-CA 3.26Å; Y510-G514 WeakPolarHBondContact O-CA 3.42Å; Y510-G514 PolarHBondContact O-N 3.25Å; G514-N516 PolarHBondContact O-N 3.12Å; G514-F517 PolarHBondContact O-N 2.69Å; G514-R518 WeakPolarHBondContact O-CB 3.3Å; G514-R518 PolarHBondContact O-N 2.9Å
515	C	91.5	Very high	94.2	Very high	42 Å²	42	41.8 Å²	41.8	28%	0.284	22%	0.216	S	C	.	.	H	α-helix	trans	-60.6	-46.3	-180	-176.1	0	0	0	0	112.8	S435 Q519	S435-C515 WeakPolarHBondContact OG-CB 3.5Å; S435-C515 PolarHBondContact OG-N 3.11Å; C515-Q519 VanDerWaalsContact O-CG 3.3Å; C515-Q519 WeakPolarHBondContact O-CG 3.35Å; C515-Q519 PolarHBondContact O-N 3.36Å
516	N	91	Very high	93.7	Very high	31 Å²	31	43.4 Å²	43.4	17%	0.166	22%	0.22	C	C	.	.	H	α-helix	trans	-66	-41.6	179.1	-62	-21.1	0	0	0	111.5	M103 S432 G514 Q519 R520	M103-N516 HydrophobicContact CE-CB 4.35Å; S432-N516 PolarHBondContact OG-ND2 2.88Å; G514-N516 PolarHBondContact O-N 3.12Å; N516-Q519 PolarHBondContact O-N 3.1Å; N516-R520 WeakPolarHBondContact O-CG 3.35Å; N516-R520 PolarHBondContact O-N 3.34Å; N516-R520 VanDerWaalsContact O-N 3.09Å
517	F	94.5	Very high	93.4	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-60.8	-51.5	177.8	-177.4	-95.1	0	0	0	110.6	I97 W98 F507 Y510 G514 Q519 R520 V521	I97-F517 HydrophobicContact CB-CD2 4.19Å; I97-F517 HydrophobicContact CB-CE2 3.79Å; I97-F517 HydrophobicContact CD1-CD2 4.41Å; I97-F517 HydrophobicContact CD1-CE1 4.47Å; I97-F517 HydrophobicContact CD1-CE2 3.89Å; I97-F517 HydrophobicContact CD1-CZ 3.92Å; I97-F517 HydrophobicContact CG1-CE2 4.44Å; I97-F517 HydrophobicContact CG2-CD2 3.5Å; I97-F517 HydrophobicContact CG2-CE2 3.66Å; I97-F517 HydrophobicContact CG2-CG 4.44Å; W98-F517 HydrophobicContact CD2-CD2 4.13Å; W98-F517 HydrophobicContact CD2-CE2 4.38Å; W98-F517 AromaticContact CE2-CD2 3.41Å; W98-F517 VanDerWaalsContact CE2-CD2 3.41Å; W98-F517 AromaticContact CE2-CE2 3.66Å; W98-F517 HydrophobicContact CH2-CB 3.99Å; W98-F517 AromaticContact CH2-CD2 3.86Å; W98-F517 HydrophobicContact CH2-CD2 3.86Å; W98-F517 HydrophobicContact CH2-CG 4.32Å; W98-F517 HydrophobicContact CZ2-CB 4.01Å; W98-F517 AromaticContact CZ2-CD2 3.25Å; W98-F517 HydrophobicContact CZ2-CD2 3.25Å; W98-F517 AromaticContact CZ2-CE2 3.93Å; W98-F517 HydrophobicContact CZ2-CE2 3.93Å; W98-F517 AromaticContact CZ2-CG 3.87Å; W98-F517 HydrophobicContact CZ2-CG 3.87Å; W98-F517 AromaticContact NE1-CD2 3.77Å; W98-F517 AromaticContact NE1-CE2 3.49Å; F507-F517 AromaticContact CD2-CE1 3.82Å; F507-F517 HydrophobicContact CD2-CE1 3.82Å; F507-F517 AromaticContact CD2-CZ 3.73Å; F507-F517 HydrophobicContact CD2-CZ 3.73Å; F507-F517 AromaticContact CE2-CE1 3.74Å; F507-F517 HydrophobicContact CE2-CE1 3.74Å; F507-F517 AromaticContact CE2-CZ 3.87Å; F507-F517 HydrophobicContact CE2-CZ 3.87Å; Y510-F517 HydrophobicContact CD2-CE2 4.39Å; Y510-F517 HydrophobicContact CD2-CZ 4.23Å; G514-F517 PolarHBondContact O-N 2.69Å; F517-Q519 VanDerWaalsContact C-N 3.34Å; F517-Q519 PolarHBondContact O-N 3.19Å; F517-R520 WeakPolarHBondContact O-CA 3.09Å; F517-R520 WeakPolarHBondContact O-CB 3.45Å; F517-R520 PolarHBondContact O-N 3.48Å; F517-V521 HydrophobicContact CD1-CG2 3.96Å; F517-V521 HydrophobicContact CE1-CG2 3.64Å; F517-V521 HydrophobicContact CZ-CG2 4.17Å; F517-V521 PolarHBondContact O-N 3.26Å
518	R	94.9	Very high	93	Very high	75 Å²	75	49.2 Å²	49.2	28%	0.283	25%	0.252	S	S	.	.	H	α-helix	trans	-56.9	-42.9	176.9	179.8	167.3	63.1	-117	3.6	113	Y511 A512 G514 R520 V521 H522	Y511-R518 HydrophobicContact CD2-CB 4.26Å; Y511-R518 HydrophobicContact CD2-CG 4.01Å; Y511-R518 HydrophobicContact CE2-CB 4.35Å; Y511-R518 HydrophobicContact CE2-CG 3.63Å; Y511-R518 PolarHBondContact O-NH1 3.2Å; A512-R518 PolarHBondContact O-NH1 3.39Å; A512-R518 VanDerWaalsContact O-NH1 3.09Å; G514-R518 WeakPolarHBondContact O-CB 3.3Å; G514-R518 PolarHBondContact O-N 2.9Å; R518-R520 VanDerWaalsContact C-N 3.29Å; R518-R520 PolarHBondContact O-N 3.41Å; R518-V521 WeakPolarHBondContact O-CB 3.14Å; R518-V521 PolarHBondContact O-N 2.96Å; R518-H522 PolarHBondContact O-N 2.97Å
519	Q	92.3	Very high	92.6	Very high	92 Å²	92	47.8 Å²	47.8	43%	0.43	25%	0.245	S	C	.	.	H	α-helix	trans	-61	-37.6	175.1	-74.9	174.8	-2.4	0	0	112.4	C515 N516 F517 H522 Q523	C515-Q519 VanDerWaalsContact O-CG 3.3Å; C515-Q519 WeakPolarHBondContact O-CG 3.35Å; C515-Q519 PolarHBondContact O-N 3.36Å; N516-Q519 PolarHBondContact O-N 3.1Å; F517-Q519 VanDerWaalsContact C-N 3.34Å; F517-Q519 PolarHBondContact O-N 3.19Å; Q519-H522 PolarHBondContact O-N 2.99Å; Q519-Q523 WeakPolarHBondContact O-CB 3.19Å; Q519-Q523 PolarHBondContact O-N 3.44Å
520	R	92.9	Very high	91.9	Very high	29 Å²	29	53.4 Å²	53.4	11%	0.109	27%	0.266	C	S	.	.	H	α-helix	trans	-70.5	-37.2	174.8	-66	-54.5	-174.4	104.3	23.5	112.7	I97 N100 K102 M103 E106 N516 F517 R518 Q523 L524	I97-R520 HydrophobicContact CD1-CB 4.4Å; I97-R520 HydrophobicContact CG1-CB 4.36Å; I97-R520 HydrophobicContact CG2-CB 3.71Å; I97-R520 HydrophobicContact CG2-CG 4.22Å; N100-R520 PolarHBondContact OD1-NH1 2.64Å; K102-R520 VanDerWaalsContact CB-NH2 3.28Å; M103-R520 HydrophobicContact CG-CG 4.32Å; M103-R520 HydrophobicContact SD-CG 3.72Å; M103-R520 PolarHBondContact SD-NH2 3.43Å; E106-R520 IonicContact OE2-NH2 3.85Å; N516-R520 WeakPolarHBondContact O-CG 3.35Å; N516-R520 PolarHBondContact O-N 3.34Å; N516-R520 VanDerWaalsContact O-N 3.09Å; F517-R520 WeakPolarHBondContact O-CA 3.09Å; F517-R520 WeakPolarHBondContact O-CB 3.45Å; F517-R520 PolarHBondContact O-N 3.48Å; R518-R520 VanDerWaalsContact C-N 3.29Å; R518-R520 PolarHBondContact O-N 3.41Å; R520-Q523 PolarHBondContact O-N 3.21Å; R520-L524 WeakPolarHBondContact O-CB 3.22Å; R520-L524 PolarHBondContact O-N 3.13Å
521	V	94.5	Very high	91.4	Very high	11 Å²	11	61.9 Å²	61.9	7%	0.067	30%	0.303	C	S	.	.	H	α-helix	trans	-58.1	-51.6	171.5	175.8	0	0	0	0	109.6	I97 F507 Y511 F517 R518 Q523 L524 C525	I97-V521 HydrophobicContact CD1-CB 4.18Å; I97-V521 HydrophobicContact CD1-CG2 3.27Å; F507-V521 HydrophobicContact CE2-CG2 4.08Å; F507-V521 HydrophobicContact CZ-CG2 4.42Å; Y511-V521 HydrophobicContact CD2-CB 4.32Å; Y511-V521 HydrophobicContact CD2-CG1 4.25Å; Y511-V521 HydrophobicContact CD2-CG2 4.22Å; Y511-V521 HydrophobicContact CE2-CB 4.34Å; Y511-V521 HydrophobicContact CE2-CG1 4.09Å; F517-V521 HydrophobicContact CD1-CG2 3.96Å; F517-V521 HydrophobicContact CE1-CG2 3.64Å; F517-V521 HydrophobicContact CZ-CG2 4.17Å; F517-V521 PolarHBondContact O-N 3.26Å; R518-V521 WeakPolarHBondContact O-CB 3.14Å; R518-V521 PolarHBondContact O-N 2.96Å; V521-Q523 VanDerWaalsContact C-N 3.3Å; V521-Q523 PolarHBondContact O-N 3.36Å; V521-L524 WeakPolarHBondContact O-CB 3.26Å; V521-L524 PolarHBondContact O-N 3.35Å; V521-L524 VanDerWaalsContact O-N 3.08Å; V521-C525 PolarHBondContact O-N 3.43Å; V521-C525 PolarHBondContact O-SG 3.47Å
522	H	92.5	Very high	90.9	Very high	27 Å²	27	64.2 Å²	64.2	13%	0.125	32%	0.32	C	S	.	.	H	α-helix	trans	-59.6	-40.6	178.6	-65.1	167.6	0	0	0	112.3	Y511 R518 Q519 C525 R526 G543	Y511-H522 AromaticContact CE2-NE2 3.77Å; Y511-H522 AromaticContact CZ-NE2 3.76Å; Y511-H522 PolarHBondContact OH-NE2 3.26Å; R518-H522 PolarHBondContact O-N 2.97Å; Q519-H522 PolarHBondContact O-N 2.99Å; H522-C525 PolarHBondContact O-N 2.71Å; H522-R526 WeakPolarHBondContact O-CB 3.44Å; H522-R526 PolarHBondContact O-N 3.22Å; H522-G543 WeakPolarHBondContact ND1-CA 3.36Å
523	Q	90.8	Very high	90.2	Very high	81 Å²	81	63.9 Å²	63.9	38%	0.379	32%	0.323	S	S	.	.	H	α-helix	trans	-63.1	-42	174.4	-173.1	178.6	11.9	0	0	112.3	Q519 R520 V521 R526 N527	Q519-Q523 WeakPolarHBondContact O-CB 3.19Å; Q519-Q523 PolarHBondContact O-N 3.44Å; R520-Q523 PolarHBondContact O-N 3.21Å; V521-Q523 VanDerWaalsContact C-N 3.3Å; V521-Q523 PolarHBondContact O-N 3.36Å; Q523-R526 PolarHBondContact O-N 3.41Å; Q523-N527 WeakPolarHBondContact O-CB 3.23Å; Q523-N527 PolarHBondContact O-N 3.29Å; Q523-N527 PolarHBondContact O-OD1 2.92Å
524	L	91.2	Very high	89.2	Confident	50 Å²	50	65.5 Å²	65.5	26%	0.262	34%	0.335	S	S	.	.	H	α-helix	trans	-64.2	-48.9	177.3	-176.7	65.3	0	0	0	110.8	I93 I96 R520 V521 R526 N527 L528	I93-L524 HydrophobicContact CG2-CD2 4.39Å; I96-L524 HydrophobicContact CG2-CD2 4.5Å; R520-L524 WeakPolarHBondContact O-CB 3.22Å; R520-L524 PolarHBondContact O-N 3.13Å; V521-L524 WeakPolarHBondContact O-CB 3.26Å; V521-L524 PolarHBondContact O-N 3.35Å; V521-L524 VanDerWaalsContact O-N 3.08Å; L524-R526 VanDerWaalsContact C-N 3.35Å; L524-R526 PolarHBondContact O-N 3.26Å; L524-N527 PolarHBondContact O-N 3.4Å; L524-L528 HydrophobicContact CG-CD1 4.15Å; L524-L528 WeakPolarHBondContact O-CG 3.48Å; L524-L528 PolarHBondContact O-N 2.78Å
525	C	90.8	Very high	88.1	Confident	54 Å²	54	74.5 Å²	74.5	37%	0.365	37%	0.368	S	S	.	.	H	α-helix	trans	-58.4	-44.7	175.9	-65.7	0	0	0	0	111.6	V521 H522 N527 L528 L529	V521-C525 PolarHBondContact O-N 3.43Å; V521-C525 PolarHBondContact O-SG 3.47Å; H522-C525 PolarHBondContact O-N 2.71Å; C525-N527 PolarHBondContact O-N 3.08Å; C525-L528 PolarHBondContact O-N 3.03Å; C525-L529 WeakPolarHBondContact O-CB 3.39Å; C525-L529 VanDerWaalsContact O-CG 3.3Å; C525-L529 WeakPolarHBondContact O-CG 3.42Å; C525-L529 PolarHBondContact O-N 3.39Å
526	R	87	Confident	87	Confident	89 Å²	89	75.3 Å²	75.3	34%	0.336	37%	0.374	S	S	.	.	H	α-helix	trans	-61.4	-43.5	176.5	-172.8	178.9	68.4	-172	3.4	111.9	H522 Q523 L524 L528 L529 Y530 M540	H522-R526 WeakPolarHBondContact O-CB 3.44Å; H522-R526 PolarHBondContact O-N 3.22Å; Q523-R526 PolarHBondContact O-N 3.41Å; L524-R526 VanDerWaalsContact C-N 3.35Å; L524-R526 PolarHBondContact O-N 3.26Å; R526-L528 VanDerWaalsContact C-N 3.32Å; R526-L528 PolarHBondContact O-N 2.77Å; R526-L529 PolarHBondContact O-N 2.88Å; R526-Y530 VanDerWaalsContact O-CB 3.25Å; R526-Y530 WeakPolarHBondContact O-CB 3.36Å; R526-Y530 PolarHBondContact O-N 2.03Å; R526-M540 HydrophobicContact CG-SD 4.43Å
527	N	88.2	Confident	85.9	Confident	77 Å²	77	80 Å²	80	41%	0.412	40%	0.399	S	S	.	.	H	α-helix	trans	-65.3	-36.8	177.8	-70.9	-6.2	0	0	0	111.9	Q523 L524 C525 K531	Q523-N527 WeakPolarHBondContact O-CB 3.23Å; Q523-N527 PolarHBondContact O-N 3.29Å; Q523-N527 PolarHBondContact O-OD1 2.92Å; L524-N527 PolarHBondContact O-N 3.4Å; C525-N527 PolarHBondContact O-N 3.08Å; N527-K531 WeakPolarHBondContact O-CB 3.44Å; N527-K531 WeakPolarHBondContact O-CG 3.14Å; N527-K531 PolarHBondContact O-N 2.95Å; N527-K531 VanDerWaalsContact O-N 3.08Å
528	L	88.8	Confident	84.6	Confident	91 Å²	91	85.3 Å²	85.3	48%	0.476	43%	0.432	S	S	.	.	H	α-helix	trans	-68.2	-48	175.2	-71.3	169.1	0	0	0	111.5	L524 C525 R526 Y530 K531 L532	L524-L528 HydrophobicContact CG-CD1 4.15Å; L524-L528 WeakPolarHBondContact O-CG 3.48Å; L524-L528 PolarHBondContact O-N 2.78Å; C525-L528 PolarHBondContact O-N 3.03Å; R526-L528 VanDerWaalsContact C-N 3.32Å; R526-L528 PolarHBondContact O-N 2.77Å; L528-Y530 VanDerWaalsContact C-N 3.33Å; L528-Y530 PolarHBondContact O-N 3.21Å; L528-K531 WeakPolarHBondContact O-CB 3.35Å; L528-K531 PolarHBondContact O-N 3.46Å; L528-K531 VanDerWaalsContact O-N 3.17Å; L528-L532 WeakPolarHBondContact O-CG 3.12Å; L528-L532 PolarHBondContact O-N 3.45Å
529	L	86.9	Confident	82.9	Confident	51 Å²	51	85.6 Å²	85.6	27%	0.267	44%	0.438	S	S	.	.	H	α-helix	trans	-60.7	-41.3	176.4	-71.7	170.7	0	0	0	112.1	C525 R526 L532 G533 C534 L539	C525-L529 WeakPolarHBondContact O-CB 3.39Å; C525-L529 VanDerWaalsContact O-CG 3.3Å; C525-L529 WeakPolarHBondContact O-CG 3.42Å; C525-L529 PolarHBondContact O-N 3.39Å; R526-L529 PolarHBondContact O-N 2.88Å; L529-L532 CarbonylContact O-C 3.49Å; L529-L532 PolarHBondContact O-N 3.45Å; L529-G533 PolarHBondContact O-N 2.63Å; L529-C534 HydrophobicContact CB-CB 4.19Å; L529-C534 HydrophobicContact CD2-CB 4.19Å; L529-C534 WeakPolarHBondContact O-CB 3.47Å; L529-C534 PolarHBondContact O-N 3.09Å; L529-L539 HydrophobicContact CD1-CB 4.32Å; L529-L539 HydrophobicContact CD1-CD2 3.92Å
530	Y	84.1	Confident	81.5	Confident	140 Å²	140	83.6 Å²	83.6	55%	0.549	43%	0.43	S	S	.	.	H	α-helix	trans	-62.2	-42.8	175.1	-176.1	-95.1	0	0	0	111.7	R526 L528 L532 G533 M540	R526-Y530 VanDerWaalsContact O-CB 3.25Å; R526-Y530 WeakPolarHBondContact O-CB 3.36Å; R526-Y530 PolarHBondContact O-N 2.03Å; L528-Y530 VanDerWaalsContact C-N 3.33Å; L528-Y530 PolarHBondContact O-N 3.21Å; Y530-L532 VanDerWaalsContact C-N 3.28Å; Y530-L532 PolarHBondContact O-N 2.94Å; Y530-G533 PolarHBondContact O-N 3.16Å; Y530-M540 HydrophobicContact CD2-CE 4.03Å
531	K	85.1	Confident	80.1	Confident	177 Å²	177	87.9 Å²	87.9	77%	0.77	45%	0.449	S	S	*	.	H	α-helix	trans	-64.7	-31.6	174.3	-78.2	-178.8	176.4	-169.2	0	113	N527 L528 G533	N527-K531 WeakPolarHBondContact O-CB 3.44Å; N527-K531 WeakPolarHBondContact O-CG 3.14Å; N527-K531 PolarHBondContact O-N 2.95Å; N527-K531 VanDerWaalsContact O-N 3.08Å; L528-K531 WeakPolarHBondContact O-CB 3.35Å; L528-K531 PolarHBondContact O-N 3.46Å; L528-K531 VanDerWaalsContact O-N 3.17Å; K531-G533 PolarHBondContact O-N 3.49Å
532	L	87.8	Confident	78.3	Confident	133 Å²	133	91.8 Å²	91.8	70%	0.696	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	6.8	175.8	-68.5	165.2	0	0	0	113.3	L528 L529 Y530 C534	L528-L532 WeakPolarHBondContact O-CG 3.12Å; L528-L532 PolarHBondContact O-N 3.45Å; L529-L532 CarbonylContact O-C 3.49Å; L529-L532 PolarHBondContact O-N 3.45Å; Y530-L532 VanDerWaalsContact C-N 3.28Å; Y530-L532 PolarHBondContact O-N 2.94Å; L532-C534 VanDerWaalsContact C-N 3.28Å; L532-C534 PolarHBondContact O-N 3.41Å
533	G	80.1	Confident	76.6	Confident	59 Å²	59	92.5 Å²	92.5	61%	0.608	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	2.4	177.9	0	0	0	0	0	115.4	L529 Y530 K531 R535	L529-G533 PolarHBondContact O-N 2.63Å; Y530-G533 PolarHBondContact O-N 3.16Å; K531-G533 PolarHBondContact O-N 3.49Å; G533-R535 PolarHBondContact O-N 2.86Å
534	C	74.5	Confident	75.1	Confident	64 Å²	64	92 Å²	92	43%	0.432	48%	0.483	S	S	.	.			trans	-76.8	103	177.8	-73.8	0	0	0	0	111.1	L529 L532	L529-C534 HydrophobicContact CB-CB 4.19Å; L529-C534 HydrophobicContact CD2-CB 4.19Å; L529-C534 WeakPolarHBondContact O-CB 3.47Å; L529-C534 PolarHBondContact O-N 3.09Å; L532-C534 VanDerWaalsContact C-N 3.28Å; L532-C534 PolarHBondContact O-N 3.41Å
535	R	71.2	Confident	73.1	Confident	190 Å²	190	95 Å²	95	72%	0.717	50%	0.499	S	S	*	.			trans	-95	23.8	176.9	-75.8	-172.6	169.6	-172.3	-1.5	114.9	G533 N537 M540	G533-R535 PolarHBondContact O-N 2.86Å; R535-N537 PolarHBondContact O-N 3.33Å; R535-N537 VanDerWaalsContact O-N 3.08Å; R535-M540 HydrophobicContact CB-CE 4.38Å; R535-M540 HydrophobicContact CG-CE 4.28Å
536	C	68.2	Low	70.8	Confident	60 Å²	60	99 Å²	99	41%	0.405	51%	0.512	S	S	.	.			trans	-63.2	115.1	-177.4	-171.9	0	0	0	0	111.5	T538 L539 M540	C536-T538 VanDerWaalsContact C-N 3.27Å; C536-T538 PolarHBondContact O-N 3.49Å; C536-L539 HydrophobicContact CB-CB 4.17Å; C536-L539 HydrophobicContact CB-CD1 3.82Å; C536-L539 HydrophobicContact CB-CG 4.49Å; C536-L539 PolarHBondContact O-N 3Å; C536-M540 VanDerWaalsContact O-CG 3.29Å; C536-M540 WeakPolarHBondContact O-CG 3.37Å; C536-M540 PolarHBondContact O-N 3.02Å
537	N	67.1	Low	68.4	Low	129 Å²	129	101.7 Å²	101.7	69%	0.69	53%	0.529	S	S	*	.	H	α-helix	trans	-56.1	-37.9	-178.2	-82.3	-17.8	0	0	0	112.8	R535 M540 K541	R535-N537 PolarHBondContact O-N 3.33Å; R535-N537 VanDerWaalsContact O-N 3.08Å; N537-M540 PolarHBondContact O-N 2.9Å; N537-K541 WeakPolarHBondContact O-CG 3.25Å; N537-K541 PolarHBondContact O-N 3.35Å; N537-K541 VanDerWaalsContact O-N 3.13Å
538	T	68	Low	65.8	Low	112 Å²	112	103.1 Å²	103.1	69%	0.687	54%	0.536	S	S	*	.	H	α-helix	trans	-65.7	-42.7	179.5	-45.9	0	0	0	0	111.9	C536 M540 K541	C536-T538 VanDerWaalsContact C-N 3.27Å; C536-T538 PolarHBondContact O-N 3.49Å; T538-M540 VanDerWaalsContact C-N 3.35Å; T538-K541 PolarHBondContact O-N 3.42Å
539	L	58.9	Low	63.2	Low	81 Å²	81	105 Å²	105	42%	0.424	55%	0.547	S	S	.	.	H	α-helix	trans	-68.7	-34	175.8	-84.2	151.2	0	0	0	111.9	L529 C536 K541 L542	L529-L539 HydrophobicContact CD1-CB 4.32Å; L529-L539 HydrophobicContact CD1-CD2 3.92Å; C536-L539 HydrophobicContact CB-CB 4.17Å; C536-L539 HydrophobicContact CB-CD1 3.82Å; C536-L539 HydrophobicContact CB-CG 4.49Å; C536-L539 PolarHBondContact O-N 3Å; L539-K541 VanDerWaalsContact C-N 3.26Å; L539-K541 PolarHBondContact O-N 2.79Å; L539-L542 VanDerWaalsContact O-CB 3.26Å; L539-L542 WeakPolarHBondContact O-CB 3.48Å; L539-L542 PolarHBondContact O-N 3.06Å
540	M	62.8	Low	60.4	Low	50 Å²	50	109.8 Å²	109.8	25%	0.246	57%	0.573	C	S	.	*	H	α-helix	trans	-66.9	-26.6	174.6	-65.9	-113.3	-163.8	0	0	113	R526 Y530 R535 C536 N537 T538 I544	R526-M540 HydrophobicContact CG-SD 4.43Å; Y530-M540 HydrophobicContact CD2-CE 4.03Å; R535-M540 HydrophobicContact CB-CE 4.38Å; R535-M540 HydrophobicContact CG-CE 4.28Å; C536-M540 VanDerWaalsContact O-CG 3.29Å; C536-M540 WeakPolarHBondContact O-CG 3.37Å; C536-M540 PolarHBondContact O-N 3.02Å; N537-M540 PolarHBondContact O-N 2.9Å; T538-M540 VanDerWaalsContact C-N 3.35Å; M540-I544 VanDerWaalsContact O-CD1 3.28Å; M540-I544 WeakPolarHBondContact O-CD1 3.14Å
541	K	64.1	Low	57.7	Low	120 Å²	120	108.8 Å²	108.8	52%	0.522	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81	-9.5	175.2	-73.3	-170.4	178.8	-155.1	0	114.1	N537 T538 L539 G543 I544 E546	N537-K541 WeakPolarHBondContact O-CG 3.25Å; N537-K541 PolarHBondContact O-N 3.35Å; N537-K541 VanDerWaalsContact O-N 3.13Å; T538-K541 PolarHBondContact O-N 3.42Å; L539-K541 VanDerWaalsContact C-N 3.26Å; L539-K541 PolarHBondContact O-N 2.79Å; K541-G543 PolarHBondContact O-N 3.3Å; K541-G543 VanDerWaalsContact O-N 3.11Å; K541-I544 PolarHBondContact O-N 3.02Å; K541-I544 VanDerWaalsContact O-N 3.13Å; K541-E546 IonicContact NZ-OE1 2.74Å; K541-E546 PolarHBondContact NZ-OE1 3.09Å
542	L	55.7	Low	55	Low	93 Å²	93	105.5 Å²	105.5	49%	0.487	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59	116.1	179.9	-157.9	94.5	0	0	0	110.5	L539 I544	L539-L542 VanDerWaalsContact O-CB 3.26Å; L539-L542 WeakPolarHBondContact O-CB 3.48Å; L539-L542 PolarHBondContact O-N 3.06Å; L542-I544 PolarHBondContact O-N 2.93Å
543	G	58.2	Low	52.5	Low	42 Å²	42	102.7 Å²	102.7	43%	0.433	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	84.1	-3	179	0	0	0	0	0	116.3	H522 K541 N545	H522-G543 WeakPolarHBondContact ND1-CA 3.36Å; K541-G543 PolarHBondContact O-N 3.3Å; K541-G543 VanDerWaalsContact O-N 3.11Å; G543-N545 PolarHBondContact O-N 3.33Å
544	I	57.8	Low	50.3	Low	70 Å²	70	106.6 Å²	106.6	36%	0.359	57%	0.57	S	S	.	*			trans	-84.4	108.5	171.9	-55.3	-179.4	0	0	0	108.2	M540 K541 L542 E546	M540-I544 VanDerWaalsContact O-CD1 3.28Å; M540-I544 WeakPolarHBondContact O-CD1 3.14Å; K541-I544 PolarHBondContact O-N 3.02Å; K541-I544 VanDerWaalsContact O-N 3.13Å; L542-I544 PolarHBondContact O-N 2.93Å; I544-E546 PolarHBondContact O-N 3.35Å
545	N	49.1	Very low	48.4	Very low	112 Å²	112	108.7 Å²	108.7	60%	0.599	58%	0.581	S	S	*	*			trans	-72.6	106.7	164.7	-77.5	-24.4	0	0	0	108	G543 H547 N548	G543-N545 PolarHBondContact O-N 3.33Å; N545-H547 PolarHBondContact O-N 2.89Å; N545-N548 PolarHBondContact O-N 3.47Å; N545-N548 VanDerWaalsContact O-N 3.15Å
546	E	42.9	Very low	46.5	Very low	138 Å²	138	109.4 Å²	109.4	65%	0.645	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	-7.3	176.5	-77.6	-179	166.9	0	0	114.3	K541 I544	K541-E546 IonicContact NZ-OE1 2.74Å; K541-E546 PolarHBondContact NZ-OE1 3.09Å; I544-E546 PolarHBondContact O-N 3.35Å
547	H	36.9	Very low	44.6	Very low	146 Å²	146	116.9 Å²	116.9	68%	0.676	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-7.1	177.9	-80.7	-53	0	0	0	116.6	N545	N545-H547 PolarHBondContact O-N 2.89Å
548	N	34.1	Very low	43.2	Very low	107 Å²	107	113.6 Å²	113.6	57%	0.572	59%	0.59	S	S	*	*	S	Bend	trans	-99.6	-7.3	-178	-86.9	3.5	0	0	0	115.5	N545	N545-N548 PolarHBondContact O-N 3.47Å; N545-N548 VanDerWaalsContact O-N 3.15Å
549	D	34	Very low	41.5	Very low	131 Å²	131	115 Å²	115	70%	0.701	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-4	-179.8	-70.6	-22.9	0	0	0	114.1	I551	D549-I551 VanDerWaalsContact C-N 3.32Å
550	N	27.8	Very low	40.3	Very low	151 Å²	151	117.1 Å²	117.1	81%	0.807	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	14.2	171.5	-74.7	-4.8	0	0	0	113.9	P552	N550-P552 WeakPolarHBondContact O-CD 3.27Å
551	I	27.1	Very low	38.9	Very low	119 Å²	119	124.7 Å²	124.7	61%	0.61	63%	0.626	S	S	*	*	S	Bend	trans	-107.6	97	169.3	-55.8	178	0	0	0	107.6	D549 S553	D549-I551 VanDerWaalsContact C-N 3.32Å; I551-S553 PolarHBondContact O-N 2.84Å
552	P	28.7	Very low	37.4	Very low	108 Å²	108	126.1 Å²	126.1	70%	0.701	64%	0.639	S	S	*	*			trans	-53.6	127.5	169.7	-19.6	29.7	0	0	0	108.6	N550 I554	N550-P552 WeakPolarHBondContact O-CD 3.27Å; P552-I554 PolarHBondContact O-N 2.96Å
553	S	34.5	Very low	36.4	Very low	75 Å²	75	128.9 Å²	128.9	52%	0.524	65%	0.653	S	S	.	*			trans	-54.5	100.3	177.8	46.7	0	0	0	0	110.8	I551 T555 R556	I551-S553 PolarHBondContact O-N 2.84Å; S553-T555 PolarHBondContact O-N 3.38Å; S553-R556 PolarHBondContact O-N 2.64Å; S553-R556 VanDerWaalsContact O-N 3.08Å
554	I	35.5	Very low	35.2	Very low	141 Å²	141	131.9 Å²	131.9	72%	0.723	66%	0.663	S	S	*	*	H	α-helix	trans	-56.1	-21.9	172.8	-74.9	172.8	0	0	0	111.1	P552 R556 R557 S558	P552-I554 PolarHBondContact O-N 2.96Å; I554-R556 VanDerWaalsContact C-N 3.34Å; I554-R556 PolarHBondContact O-N 2.87Å; I554-R557 PolarHBondContact O-N 3.45Å; I554-S558 PolarHBondContact O-N 2.64Å
555	T	34.3	Very low	33.7	Very low	108 Å²	108	136 Å²	136	66%	0.663	69%	0.686	S	S	*	*	H	α-helix	trans	-73.8	-14	178.1	48.8	0	0	0	0	115.1	S553	S553-T555 PolarHBondContact O-N 3.38Å
556	R	30.1	Very low	32.7	Very low	204 Å²	204	136.8 Å²	136.8	77%	0.77	70%	0.695	S	S	*	*	H	α-helix	trans	-88.5	-22.1	171	-140.6	179.5	-157.8	-179.9	5.2	112.7	S553 I554	S553-R556 PolarHBondContact O-N 2.64Å; S553-R556 VanDerWaalsContact O-N 3.08Å; I554-R556 VanDerWaalsContact C-N 3.34Å; I554-R556 PolarHBondContact O-N 2.87Å
557	R	29.7	Very low	31.9	Very low	218 Å²	218	136.6 Å²	136.6	82%	0.823	70%	0.704	S	S	*	*	H	α-helix	trans	-85.2	-23.3	-176.5	-139.1	174.1	-173.1	162.1	1.6	113.3	I554	I554-R557 PolarHBondContact O-N 3.45Å
558	S	36.5	Very low	31.3	Very low	60 Å²	60	136 Å²	136	42%	0.42	71%	0.71	S	S	.	*	H	α-helix	trans	-76.7	-35.7	175.9	57.5	0	0	0	0	113.3	I554 N560 R561	I554-S558 PolarHBondContact O-N 2.64Å; S558-N560 PolarHBondContact O-N 3.17Å; S558-R561 PolarHBondContact O-N 3.2Å
559	H	33.3	Very low	30.7	Very low	140 Å²	140	137.3 Å²	137.3	65%	0.648	72%	0.722	S	S	*	*	H	α-helix	trans	-71.8	-27.9	-176.2	-95.6	-70.6	0	0	0	114.6
560	N	33.9	Very low	30.4	Very low	127 Å²	127	137.1 Å²	137.1	68%	0.679	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-13.4	178.3	-77.3	5.9	0	0	0	113.9	S558 T564	S558-N560 PolarHBondContact O-N 3.17Å; N560-T564 PolarHBondContact O-OG1 2.69Å
561	R	31.9	Very low	30.3	Very low	209 Å²	209	136.4 Å²	136.4	79%	0.789	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-19.4	178.7	-145	177.9	-171.4	-178.4	1.6	113.2	S558	S558-R561 PolarHBondContact O-N 3.2Å
562	L	32.8	Very low	30	Very low	149 Å²	149	137.9 Å²	137.9	78%	0.78	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-9.5	179.1	-99.8	136.9	0	0	0	114.3
563	L	36.2	Very low	29.8	Very low	151 Å²	151	140.6 Å²	140.6	79%	0.791	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.4	11.3	-176	-77.3	162.2	0	0	0	114.7
564	T	31.6	Very low	29.2	Very low	106 Å²	106	144.1 Å²	144.1	65%	0.65	76%	0.758	S	S	*	*			trans	-140.3	54.4	177.1	51.1	0	0	0	0	112.8	N560	N560-T564 PolarHBondContact O-OG1 2.69Å
565	N	27.3	Very low	28.7	Very low	156 Å²	156	145.2 Å²	145.2	83%	0.834	77%	0.765	S	S	*	*			trans	-111.9	72.1	157.2	-82.2	-0.4	0	0	0	108.4
566	T	28.2	Very low	28.1	Very low	129 Å²	129	147.2 Å²	147.2	79%	0.791	77%	0.772	S	S	*	*			trans	-112.2	110.9	154	-17.1	0	0	0	0	105.6	T568	T566-T568 PolarHBondContact O-N 3.13Å
567	T	25.5	Very low	27.9	Very low	134 Å²	134	143.9 Å²	143.9	82%	0.822	77%	0.77	S	S	*	*			trans	-55	113.2	-179.2	37.5	0	0	0	0	111.9
568	T	25.1	Very low	27.6	Very low	132 Å²	132	144 Å²	144	81%	0.81	77%	0.77	S	S	*	*			trans	-128.9	108.3	148.9	43.1	0	0	0	0	107.9	T566	T566-T568 PolarHBondContact O-N 3.13Å
569	T	21.2	Very low	26.9	Very low	135 Å²	135	148 Å²	148	83%	0.828	78%	0.782	S	S	*	*			trans	-62.9	119.6	169	38.9	0	0	0	0	111.4
570	T	26.1	Very low	26.4	Very low	128 Å²	128	147 Å²	147	79%	0.785	78%	0.781	S	S	*	*			trans	-150.3	107	151.2	32.4	0	0	0	0	110.4
571	T	25.8	Very low	26.2	Very low	135 Å²	135	148.6 Å²	148.6	83%	0.828	79%	0.79	S	S	*	*			trans	25.4	120	143.8	49.5	0	0	0	0	120.8
572	N	21.7	Very low	25.7	Very low	151 Å²	151	144.2 Å²	144.2	81%	0.807	79%	0.787	S	S	*	*			trans	-30.3	135.2	154.4	-68	-28.1	0	0	0	114.9
573	N	25.5	Very low	25.2	Very low	164 Å²	164	144.2 Å²	144.2	88%	0.877	79%	0.787	S	S	*	*			trans	-142.5	104	144.7	-98.1	-17.8	0	0	0	109.1
574	N	21.1	Very low	24.7	Very low	150 Å²	150	142.2 Å²	142.2	80%	0.802	79%	0.786	S	S	*	*			trans	-70.9	129	158.2	-79.8	-28.1	0	0	0	107.5
575	N	25.7	Very low	24.2	Very low	164 Å²	164	143.5 Å²	143.5	88%	0.877	79%	0.794	S	S	*	*			trans	-151.9	104.9	149.2	-95.3	-20.8	0	0	0	109.1
576	N	21.7	Very low	24.5	Very low	149 Å²	149	141 Å²	141	80%	0.797	79%	0.787	S	S	*	*			trans	-81.8	129.2	155.4	-71.5	-33.2	0	0	0	107.2
577	N	24.2	Very low	24.2	Very low	135 Å²	135	144.1 Å²	144.1	72%	0.722	79%	0.791	S	S	*	*			trans	159.6	127.4	133	-85.8	-23.5	0	0	0	111
578	R	23.5	Very low	23.9	Very low	219 Å²	219	145 Å²	145	83%	0.826	79%	0.79	S	S	*	*			trans	64.5	149.2	139.4	-65.3	178.4	-177.4	-179	-1.8	116.8
579	Q	23.1	Very low	23.9	Very low	144 Å²	144	143.9 Å²	143.9	67%	0.673	79%	0.787	S	S	*	*			cis	177.1	146.3	-7.9	175.2	151.5	-5.6	0	0	104.1
580	D	23.1	Very low	23.9	Very low	119 Å²	119	145 Å²	145	64%	0.636	78%	0.783	S	S	*	*			trans	46.7	115.2	158.6	-53.3	-21.7	0	0	0	119.9
581	D	28	Very low	23.8	Very low	162 Å²	162	146.1 Å²	146.1	87%	0.866	78%	0.779	S	S	*	*				-179.6	149.3	113	-88.7	-24	0	0	0	112.8
582	T	22.8	Very low	23.6	Very low	117 Å²	117	151.6 Å²	151.6	72%	0.718	78%	0.784	S	S	*	*			trans	-75.4	153.3	-173.3	42.7	0	0	0	0	114.6
583	D	22.9	Very low	23.8	Very low	148 Å²	148	152.8 Å²	152.8	79%	0.791	79%	0.785	S	S	*	*			trans	121.5	129.4	138.8	-79.2	-23.3	0	0	0	119.1
584	S	25.4	Very low	24.1	Very low	110 Å²	110	150.6 Å²	150.6	77%	0.769	78%	0.783	S	S	*	*			trans	71.5	100.6	153.2	57.2	0	0	0	0	120.2
585	T	20.9	Very low	24.2	Very low	133 Å²	133	155.1 Å²	155.1	82%	0.816	79%	0.788	S	S	*	*			trans	-45.2	168.5	137.6	31.2	0	0	0	0	114
586	P	32.3	Very low	24.4	Very low	104 Å²	104	157.3 Å²	157.3	68%	0.675	79%	0.79	S	S	*	*			cis	-134.1	160.4	-11	33.5	-15.5	0	0	0	113.2
587	H	23.2	Very low	24.6	Very low	193 Å²	193	158.2 Å²	158.2	89%	0.894	79%	0.794	S	S	*	*			trans	-165.8	134.7	135.6	-111.5	-76.5	0	0	0	112.7
588	I	19.2	Very low	24.5	Very low	153 Å²	153	158.7 Å²	158.7	79%	0.785	80%	0.796	S	S	*	*			trans	-78.4	129	173.6	-69.1	160.3	0	0	0	108.8
589	S	24	Very low	24.7	Very low	108 Å²	108	155.1 Å²	155.1	76%	0.755	80%	0.798	S	S	*	*			trans	-173	117.8	139.4	43.5	0	0	0	0	113.2
590	H	22.4	Very low	24.7	Very low	159 Å²	159	155.9 Å²	155.9	74%	0.736	80%	0.801	S	S	*	*			trans	25	133.8	139.3	-73.8	-80.7	0	0	0	123.6
591	H	23.3	Very low	24.9	Very low	152 Å²	152	160 Å²	160	70%	0.704	81%	0.814	S	S	*	*			trans	60.3	100.4	138.8	-77.3	-66.5	0	0	0	119.7
592	R	22.8	Very low	24.8	Very low	250 Å²	250	157.6 Å²	157.6	94%	0.943	81%	0.809	S	S	*	*			trans	-104.2	99.7	142.1	-101.5	179.5	173.8	167.8	-0.7	109.7
593	Q	25.2	Very low	25	Very low	175 Å²	175	158.1 Å²	158.1	82%	0.818	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-69	126.6	154.6	-83.9	170.6	-22.6	0	0	108.4
594	S	30.8	Very low	25.1	Very low	119 Å²	119	159.5 Å²	159.5	83%	0.832	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-82.5	125.8	171.9	-59.1	0	0	0	0	110
595	R	23.8	Very low	25.1	Very low	244 Å²	244	162.5 Å²	162.5	92%	0.921	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-46.1	129.1	172.7	-61.6	173.1	-170.3	177.2	0.7	111.8
596	K	29.6	Very low	25.3	Very low	210 Å²	210	161.8 Å²	161.8	91%	0.913	82%	0.815	S	S	*	*			trans	-122	127.6	145	-100.2	-174.3	177.8	-177.2	0	108.5
597	L	25.4	Very low	25.2	Very low	168 Å²	168	164.4 Å²	164.4	88%	0.88	82%	0.824	S	S	*	*			trans	-59.6	143.7	-171.8	-81.5	108.1	0	0	0	112.9
598	L	22.2	Very low	25.3	Very low	146 Å²	146	164.1 Å²	164.1	76%	0.764	82%	0.823	S	S	*	*			trans	-49.4	130.1	161.9	-71.3	116	0	0	0	111.6
599	V	28.9	Very low	25.8	Very low	144 Å²	144	161 Å²	161	87%	0.873	82%	0.815	S	S	*	*			trans	-114	107	144.4	173.9	0	0	0	0	106.3	K601	V599-K601 PolarHBondContact O-N 3.02Å
600	H	22.7	Very low	26.2	Very low	159 Å²	159	164.2 Å²	164.2	74%	0.736	82%	0.822	S	S	*	*			trans	-55.4	125.3	169.9	-103.4	-59.2	0	0	0	110.8
601	K	27.7	Very low	26.4	Very low	207 Å²	207	166 Å²	166	90%	0.9	83%	0.831	S	S	*	*			trans	-127.8	129.3	137.3	-92.1	-174.5	174.5	-177.3	0	107.5	V599	V599-K601 PolarHBondContact O-N 3.02Å
602	S	25	Very low	26.6	Very low	111 Å²	111	164.2 Å²	164.2	78%	0.776	84%	0.836	S	S	*	*			trans	-69.7	168.6	-172.1	46.5	0	0	0	0	113.5
603	P	27.5	Very low	27.1	Very low	127 Å²	127	156.8 Å²	156.8	83%	0.825	83%	0.828	S	S	*	*			trans	-98.3	157.3	-150.1	38	-32.4	0	0	0	114.1
604	M	25.8	Very low	27.2	Very low	177 Å²	177	159.5 Å²	159.5	87%	0.872	83%	0.831	S	S	*	*			trans	-122.2	138.3	157.5	-96	-177	69.6	0	0	109.1
605	E	25.3	Very low	27.1	Very low	173 Å²	173	161.5 Å²	161.5	81%	0.808	83%	0.832	S	S	*	*			trans	-34.8	130.1	-179.2	-69.3	144.4	136.7	0	0	114.6
606	V	23.4	Very low	27.7	Very low	118 Å²	118	162.9 Å²	162.9	72%	0.715	84%	0.844	S	S	*	*				45.6	89.5	77.4	-168.9	0	0	0	0	113.2
607	D	30.4	Very low	27.6	Very low	159 Å²	159	160.5 Å²	160.5	85%	0.85	84%	0.841	S	S	*	*			trans	-126.9	97.6	149.9	-99.7	-30.5	0	0	0	108.9	S609	D607-S609 PolarHBondContact O-N 2.87Å
608	Q	25.1	Very low	27.7	Very low	187 Å²	187	160.1 Å²	160.1	87%	0.874	84%	0.839	S	S	*	*			trans	-81	95.1	163.8	-78.3	178.1	-35.6	0	0	108.2
609	S	29.9	Very low	28	Very low	88 Å²	88	160.9 Å²	160.9	62%	0.615	84%	0.843	S	S	*	*			trans	-158.7	81.6	163	64.5	0	0	0	0	111.4	D607	D607-S609 PolarHBondContact O-N 2.87Å
610	L	32.4	Very low	27.9	Very low	175 Å²	175	161.9 Å²	161.9	92%	0.916	84%	0.841	S	S	*	*			trans	-158.3	37.8	153.4	-134.4	90.9	0	0	0	113.7
611	E	26.5	Very low	28.3	Very low	198 Å²	198	162.1 Å²	162.1	93%	0.925	85%	0.848	S	S	*	*	S	Bend	trans	-119.5	31.7	176.8	-149.2	159.8	-156.6	0	0	113.5
612	S	28.4	Very low	28.3	Very low	114 Å²	114	159.1 Å²	159.1	80%	0.797	84%	0.844	S	S	*	*			trans	-131.6	7.7	174.1	63.4	0	0	0	0	116.1	R614	S612-R614 VanDerWaalsContact C-N 3.25Å; S612-R614 PolarHBondContact O-N 2.91Å
613	A	33.2	Very low	28.5	Very low	93 Å²	93	162.5 Å²	162.5	77%	0.769	85%	0.849	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	10.4	174.2	0	0	0	0	0	114
614	R	27.8	Very low	28.6	Very low	233 Å²	233	165.2 Å²	165.2	88%	0.879	85%	0.851	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	11.1	-176.9	-132.5	178.4	-172	174.6	1.7	115.5	S612	S612-R614 VanDerWaalsContact C-N 3.25Å; S612-R614 PolarHBondContact O-N 2.91Å
615	N	27.5	Very low	28.8	Very low	161 Å²	161	164.3 Å²	164.3	86%	0.861	85%	0.849	S	S	*	*			trans	-143.5	71.1	169.4	-84.6	-24.1	0	0	0	111.4
616	K	36.3	Very low	29.2	Very low	272 Å²	272	163.5 Å²	163.5	100%	1.183	85%	0.853	S	S	*	*			trans	-154.5	0	147.4	-97.7	-174.9	-177.7	179.3	0	106.2

Retrieved 616 of 616 residues in 1097.8 ms (Link to these results)

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