OGFR_MOUSE Loading...

Opioid growth factor receptor

Receptor for opioid growth factor (OGF), also known as Met-enkephalin. Seems to be involved in growth regulation (By similarity).

AlphaFold DB , UniProt , Accession Q99PG2, Species MOUSE (Mus musculus, Mouse), Gene Ogfr, Length 633 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	59.1	Low	223 Å²	223	78.5 Å²	78.5	100%	1.099	42%	0.415	S	S	*	.				0	76.6	0	-117.4	-64.8	-165.8	0	0	105.2
2	D	43.1	Very low	59.1	Low	147 Å²	147	80.9 Å²	80.9	79%	0.786	43%	0.428	S	S	*	.			trans	-105.3	121.2	-144	-46.8	-71	0	0	0	107.4	P4	D2-P4 VanDerWaalsContact O-CD 3.26Å; D2-P4 WeakPolarHBondContact O-CD 3.23Å; D2-P4 VanDerWaalsContact O-N 3.11Å
3	D	51.2	Low	58.3	Low	99 Å²	99	86.2 Å²	86.2	53%	0.529	45%	0.449	S	S	.	.			trans	-59.5	113.8	-177.5	171.4	12.1	0	0	0	109	E5 C6	D3-E5 PolarHBondContact O-N 3.25Å; D3-E5 VanDerWaalsContact O-N 3.13Å; D3-E5 PolarHBondContact OD1-N 3.27Å; D3-C6 HydrophobicContact CB-CB 3.84Å; D3-C6 VanDerWaalsContact O-CB 3.3Å; D3-C6 WeakPolarHBondContact O-CB 3.41Å; D3-C6 PolarHBondContact O-N 2.68Å
4	P	48.6	Very low	57.2	Low	110 Å²	110	85.9 Å²	85.9	71%	0.714	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-7.1	-175.5	30.7	-36.1	0	0	0	113	D2 M59	D2-P4 VanDerWaalsContact O-CD 3.26Å; D2-P4 WeakPolarHBondContact O-CD 3.23Å; D2-P4 VanDerWaalsContact O-N 3.11Å; P4-M59 WeakPolarHBondContact O-CE 3.41Å
5	E	51.6	Low	56	Low	123 Å²	123	93.9 Å²	93.9	58%	0.575	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-10.8	168.7	-57.5	-165.1	162.4	0	0	112.8	D3 Y53	D3-E5 PolarHBondContact O-N 3.25Å; D3-E5 VanDerWaalsContact O-N 3.13Å; D3-E5 PolarHBondContact OD1-N 3.27Å; E5-Y53 WeakPolarHBondContact OE1-CD1 3.01Å; E5-Y53 WeakPolarHBondContact OE1-CE1 3.4Å
6	C	53	Low	55	Low	44 Å²	44	100.1 Å²	100.1	30%	0.297	52%	0.517	S	S	.	.			trans	-83	120.7	-180	-167.2	0	0	0	0	111.7	D3	D3-C6 HydrophobicContact CB-CB 3.84Å; D3-C6 VanDerWaalsContact O-CB 3.3Å; D3-C6 WeakPolarHBondContact O-CB 3.41Å; D3-C6 PolarHBondContact O-N 2.68Å
7	D	67.9	Low	53.8	Low	6 Å²	6	103.2 Å²	103.2	3%	0.032	54%	0.535	C	S	.	.			trans	-93.4	133.5	175.8	178.4	-47.2	0	0	0	110.4	T9 W10 R54 R66 F249 R257	D7-T9 CarbonylContact O-C 3.5Å; D7-T9 WeakPolarHBondContact O-CA 3.48Å; D7-T9 PolarHBondContact O-N 3.4Å; D7-T9 WeakPolarHBondContact OD1-CB 3.39Å; D7-T9 PolarHBondContact OD1-N 3.4Å; D7-T9 PolarHBondContact OD1-OG1 3.48Å; D7-W10 PolarHBondContact O-N 2.64Å; D7-R54 VanDerWaalsContact CB-NH1 3.29Å; D7-R54 IonicContact OD2-CZ 3.18Å; D7-R54 IonicContact OD2-NH1 2.79Å; D7-R54 PolarHBondContact OD2-NH1 3.3Å; D7-R54 IonicContact OD2-NH2 3.77Å; D7-R54 PolarHBondContact OD2-NH2 3.5Å; D7-R66 IonicContact OD1-CZ 2.78Å; D7-R66 IonicContact OD1-NH1 2.65Å; D7-R66 IonicContact OD1-NH2 2.96Å; D7-R66 PolarHBondContact OD1-NH2 3.27Å; D7-R66 IonicContact OD2-NH2 2.67Å; D7-R66 PolarHBondContact OD2-NH2 3.46Å; D7-F249 WeakPolarHBondContact OD2-CD1 3.23Å; D7-F249 WeakPolarHBondContact OD2-CE1 3.38Å; D7-R257 IonicContact OD1-NH1 2.74Å; D7-R257 PolarHBondContact OD1-NH1 3.14Å
8	S	72.8	Confident	52.8	Low	9 Å²	9	101.1 Å²	101.1	6%	0.063	54%	0.543	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	6.8	176.6	74	0	0	0	0	116.4	W10 E11 R66 H67 R254	S8-W10 PolarHBondContact O-N 2.87Å; S8-E11 WeakPolarHBondContact CA-OE1 3.32Å; S8-E11 WeakPolarHBondContact CA-OE2 3.19Å; S8-E11 WeakPolarHBondContact CB-OE1 3.37Å; S8-E11 WeakPolarHBondContact CB-OE2 3.45Å; S8-E11 PolarHBondContact N-OE1 3.32Å; S8-R66 PolarHBondContact OG-NH1 3.39Å; S8-H67 PolarHBondContact OG-CE1 3.46Å; S8-H67 VanDerWaalsContact OG-CE1 3.25Å; S8-H67 PolarHBondContact OG-NE2 3.27Å; S8-R254 VanDerWaalsContact O-CZ 3.31Å; S8-R254 PolarHBondContact O-NE 3.46Å; S8-R254 PolarHBondContact O-NH2 3.48Å
9	T	80.6	Confident	51.8	Low	0 Å²	0	106.6 Å²	106.6	0%	0	57%	0.565	C	S	.	*	T	Hydrogen-bonded Turn	trans	-47.9	-38.7	147.6	-51	0	0	0	0	112.7	D7 R254 R257 R258 V261	D7-T9 CarbonylContact O-C 3.5Å; D7-T9 WeakPolarHBondContact O-CA 3.48Å; D7-T9 PolarHBondContact O-N 3.4Å; D7-T9 WeakPolarHBondContact OD1-CB 3.39Å; D7-T9 PolarHBondContact OD1-N 3.4Å; D7-T9 PolarHBondContact OD1-OG1 3.48Å; T9-R254 PolarHBondContact O-NE 3.02Å; T9-R254 PolarHBondContact O-NH2 3.2Å; T9-R257 VanDerWaalsContact CA-NH1 3.27Å; T9-R257 HydrophobicContact CG2-CG 4.1Å; T9-R257 VanDerWaalsContact N-NH1 3.16Å; T9-R257 PolarHBondContact OG1-NH1 3.34Å; T9-R258 HydrophobicContact CG2-CG 3.83Å; T9-R258 PolarHBondContact O-NE 3.37Å; T9-R258 PolarHBondContact O-NH2 3.11Å; T9-V261 HydrophobicContact CG2-CG2 4.43Å
10	W	78.5	Confident	51.1	Low	11 Å²	11	109.3 Å²	109.3	4%	0.042	58%	0.579	C	S	.	*	S	Bend	trans	-122.6	-3.5	-162.8	-67.8	104.2	0	0	0	117.7	D7 S8 R258 V261 P278 K281 L282 F285	D7-W10 PolarHBondContact O-N 2.64Å; S8-W10 PolarHBondContact O-N 2.87Å; W10-R258 HydrophobicContact CD2-CG 4.47Å; W10-R258 HydrophobicContact CE3-CG 4.36Å; W10-R258 HydrophobicContact CH2-CB 4.16Å; W10-R258 HydrophobicContact CH2-CG 4.14Å; W10-R258 HydrophobicContact CZ2-CB 4.34Å; W10-R258 HydrophobicContact CZ2-CG 4.23Å; W10-R258 HydrophobicContact CZ3-CG 4.2Å; W10-V261 HydrophobicContact CZ2-CG1 4.45Å; W10-P278 HydrophobicContact CB-CG 4.03Å; W10-P278 HydrophobicContact CD2-CG 4.27Å; W10-P278 HydrophobicContact CG-CG 3.83Å; W10-K281 HydrophobicContact CB-CD 4.25Å; W10-K281 HydrophobicContact CD2-CB 4.3Å; W10-K281 HydrophobicContact CD2-CD 4.45Å; W10-K281 HydrophobicContact CE3-CB 3.62Å; W10-K281 HydrophobicContact CE3-CD 3.83Å; W10-K281 HydrophobicContact CE3-CG 4.35Å; W10-K281 HydrophobicContact CZ3-CB 3.74Å; W10-K281 PolarHBondContact O-NZ 3.01Å; W10-L282 HydrophobicContact CH2-CD2 4.13Å; W10-L282 HydrophobicContact CZ2-CD2 3.67Å; W10-L282 HydrophobicContact CZ2-CG 4.29Å; W10-F285 HydrophobicContact CH2-CB 4.36Å; W10-F285 AromaticContact CH2-CD2 3.94Å; W10-F285 HydrophobicContact CH2-CD2 3.94Å; W10-F285 HydrophobicContact CH2-CG 4.18Å; W10-F285 HydrophobicContact CZ3-CD2 4.05Å
11	E	71	Confident	50.4	Low	92 Å²	92	107.7 Å²	107.7	43%	0.43	59%	0.589	S	S	.	*	S	Bend	trans	-57	136.7	168.9	-69.6	142	-147.3	0	0	111.1	S8 R254 R258	S8-E11 WeakPolarHBondContact CA-OE1 3.32Å; S8-E11 WeakPolarHBondContact CA-OE2 3.19Å; S8-E11 WeakPolarHBondContact CB-OE1 3.37Å; S8-E11 WeakPolarHBondContact CB-OE2 3.45Å; S8-E11 PolarHBondContact N-OE1 3.32Å; E11-R254 VanDerWaalsContact N-NH2 3.18Å; E11-R254 PolarHBondContact O-NH1 3.08Å; E11-R254 PolarHBondContact O-NH2 3.4Å; E11-R258 PolarHBondContact O-NH2 2.87Å
12	D	58.2	Low	50.7	Low	107 Å²	107	105.4 Å²	105.4	57%	0.572	58%	0.576	S	S	*	*			trans	-79.3	137.2	-176	-58	-55.1	0	0	0	110.9	S14 K281	D12-S14 PolarHBondContact O-N 3.06Å; D12-S14 VanDerWaalsContact O-N 3.15Å; D12-K281 IonicContact OD1-NZ 2.79Å; D12-K281 PolarHBondContact OD1-NZ 3.46Å; D12-K281 IonicContact OD2-NZ 3.54Å; D12-K281 PolarHBondContact OD2-NZ 3.19Å
13	E	48.9	Very low	50.4	Low	149 Å²	149	102.6 Å²	102.6	70%	0.696	57%	0.573	S	S	*	*	S	Bend	trans	-89	25.8	-161.5	-147.9	148.6	-113	0	0	112.2	R254	E13-R254 WeakPolarHBondContact OE1-CD 3.36Å; E13-R254 IonicContact OE1-CZ 2.94Å; E13-R254 IonicContact OE1-NE 3.51Å; E13-R254 PolarHBondContact OE1-NE 3.16Å; E13-R254 IonicContact OE1-NH1 3.72Å; E13-R254 PolarHBondContact OE1-NH1 3.42Å; E13-R254 IonicContact OE2-NH1 2.76Å
14	S	43.3	Very low	50	Low	83 Å²	83	104.6 Å²	104.6	58%	0.58	58%	0.584	S	S	*	*			trans	-145.4	45.1	-150.8	65.4	0	0	0	0	114.3	D12	D12-S14 PolarHBondContact O-N 3.06Å; D12-S14 VanDerWaalsContact O-N 3.15Å
15	E	39.2	Very low	49.3	Very low	205 Å²	205	106.4 Å²	106.4	96%	0.958	59%	0.587	S	S	*	*	S	Bend	trans	-98.6	5.7	161.6	-67.6	-162.5	162.2	0	0	112.4
16	E	39.1	Very low	49	Very low	193 Å²	193	105.8 Å²	105.8	90%	0.902	59%	0.592	S	S	*	*	S	Bend	trans	-112.8	-2.8	-175	-148.2	166	-151.7	0	0	114.2
17	D	35.8	Very low	48.1	Very low	154 Å²	154	110 Å²	110	82%	0.824	62%	0.616	S	S	*	*	S	Bend	trans	-128.3	119.7	178.7	-91	-47.1	0	0	0	112.1
18	G	35.6	Very low	46.9	Very low	65 Å²	65	117 Å²	117	67%	0.67	65%	0.654	S	S	*	*			trans	91	87.1	157.1	0	0	0	0	0	118.4	D20	G18-D20 PolarHBondContact O-N 3.12Å
19	E	33	Very low	45.5	Very low	205 Å²	205	124.8 Å²	124.8	96%	0.958	69%	0.689	S	S	*	*			trans	-75.5	57.4	166.2	-164.8	-170.6	153.7	0	0	112
20	D	39.2	Very low	43.4	Very low	160 Å²	160	132.3 Å²	132.3	86%	0.856	73%	0.729	S	S	*	*			trans	-103.3	83.9	178.8	-85.7	-44.8	0	0	0	111.3	G18	G18-D20 PolarHBondContact O-N 3.12Å
21	G	34.6	Very low	41.9	Very low	76 Å²	76	138.2 Å²	138.2	78%	0.784	77%	0.767	S	S	*	*			trans	-82.1	127.7	-179.8	0	0	0	0	0	114
22	Q	40.2	Very low	40.2	Very low	175 Å²	175	137.1 Å²	137.1	82%	0.818	78%	0.78	S	S	*	*			trans	-146.8	119.1	146.8	-173.7	55.4	62	0	0	109.6
23	A	36	Very low	39.6	Very low	88 Å²	88	139.8 Å²	139.8	73%	0.727	80%	0.795	S	S	*	*			trans	-73.7	131.3	168.2	0	0	0	0	0	109.1
24	D	42.7	Very low	39.1	Very low	142 Å²	142	140 Å²	140	76%	0.759	80%	0.801	S	S	*	*			trans	-124.9	131.6	165	-162.6	8	0	0	0	108.7
25	D	35.3	Very low	39.4	Very low	148 Å²	148	143.7 Å²	143.7	79%	0.791	81%	0.814	S	S	*	*			trans	-105.9	90	-167.9	-179.8	27.9	0	0	0	108.8
26	T	43.8	Very low	39.1	Very low	110 Å²	110	137.4 Å²	137.4	68%	0.675	80%	0.804	S	S	*	*			trans	-120.6	90.4	179.4	35.1	0	0	0	0	110.7	D28	T26-D28 PolarHBondContact O-N 3.4Å
27	T	34.5	Very low	39.2	Very low	131 Å²	131	135.9 Å²	135.9	80%	0.804	80%	0.802	S	S	*	*			trans	-58.4	124.6	155.9	52.9	0	0	0	0	109.3
28	D	41.9	Very low	39.6	Very low	153 Å²	153	132.8 Å²	132.8	82%	0.818	80%	0.798	S	S	*	*			trans	-138.2	154.1	170.8	-138.7	-37.4	0	0	0	110.5	T26	T26-D28 PolarHBondContact O-N 3.4Å
29	E	44.2	Very low	39.5	Very low	173 Å²	173	139.2 Å²	139.2	81%	0.808	81%	0.81	S	S	*	*			trans	-89.8	151.2	-140.9	-63.8	-168	130.8	0	0	117.2	T31	E29-T31 PolarHBondContact O-N 3Å; E29-T31 PolarHBondContact O-OG1 3.37Å
30	D	36.4	Very low	40	Very low	158 Å²	158	138.2 Å²	138.2	85%	0.845	81%	0.805	S	S	*	*			trans	-58.3	118.2	172.8	-179	20	0	0	0	111.5
31	T	46.3	Very low	39.9	Very low	135 Å²	135	134.6 Å²	134.6	83%	0.828	80%	0.798	S	S	*	*			trans	-130.3	91.2	170.9	9.2	0	0	0	0	109.7	E29	E29-T31 PolarHBondContact O-N 3Å; E29-T31 PolarHBondContact O-OG1 3.37Å
32	G	36.9	Very low	39.9	Very low	69 Å²	69	141.8 Å²	141.8	71%	0.711	80%	0.802	S	S	*	*			trans	-73.3	124.3	175.2	0	0	0	0	0	112.8
33	D	43.9	Very low	39.8	Very low	164 Å²	164	138.5 Å²	138.5	88%	0.877	80%	0.795	S	S	*	*			trans	-80	120.6	163.3	-87.4	-45.9	0	0	0	109.8	D35	D33-D35 PolarHBondContact O-N 3.43Å
34	D	39.2	Very low	39.6	Very low	154 Å²	154	139.5 Å²	139.5	82%	0.824	80%	0.797	S	S	*	*			trans	-86.3	80.6	-177.6	-176.3	50.6	0	0	0	111.9	G36	D34-G36 PolarHBondContact O-N 3.02Å
35	D	48.9	Very low	39.2	Very low	160 Å²	160	138.9 Å²	138.9	86%	0.856	79%	0.793	S	S	*	*			trans	-79	71.5	169.2	-98	-30.7	0	0	0	110.4	D33 D37	D33-D35 PolarHBondContact O-N 3.43Å; D35-D37 PolarHBondContact O-N 3.07Å
36	G	34.2	Very low	39	Very low	72 Å²	72	141.6 Å²	141.6	74%	0.742	80%	0.798	S	S	*	*			trans	-72.7	88.9	178.9	0	0	0	0	0	113.8	D34	D34-G36 PolarHBondContact O-N 3.02Å
37	D	41.5	Very low	38.6	Very low	162 Å²	162	145.5 Å²	145.5	87%	0.866	81%	0.809	S	S	*	*			trans	-104.1	140.9	174.2	-143.2	-14.3	0	0	0	111.4	D35	D35-D37 PolarHBondContact O-N 3.07Å
38	A	42.9	Very low	38.5	Very low	89 Å²	89	143.7 Å²	143.7	74%	0.736	80%	0.802	S	S	*	*			trans	-86.8	147.9	-158.6	0	0	0	0	0	115.6	E40	A38-E40 PolarHBondContact O-N 3.48Å; A38-E40 VanDerWaalsContact O-N 3.15Å
39	E	34.8	Very low	38.1	Very low	199 Å²	199	147.7 Å²	147.7	93%	0.93	81%	0.805	S	S	*	*			trans	-61.3	107.5	169.6	-89.4	-82.7	144.5	0	0	111.7
40	E	42.7	Very low	37.7	Very low	184 Å²	184	147.7 Å²	147.7	86%	0.86	81%	0.807	S	S	*	*			trans	-129.5	112.1	167.3	-162.9	168.8	-138.7	0	0	113.2	A38	A38-E40 PolarHBondContact O-N 3.48Å; A38-E40 VanDerWaalsContact O-N 3.15Å
41	A	36.5	Very low	37.8	Very low	85 Å²	85	146 Å²	146	70%	0.702	80%	0.803	S	S	*	*			trans	29.1	101.8	157.5	0	0	0	0	0	119.7	P43	A41-P43 VanDerWaalsContact O-CD 3.26Å; A41-P43 WeakPolarHBondContact O-CD 3.09Å
42	R	35.3	Very low	38.5	Very low	227 Å²	227	147.2 Å²	147.2	86%	0.857	79%	0.792	S	S	*	*			trans	-61.2	129.4	168.2	-65.6	180	178.1	-175.1	-0.6	114
43	P	37.3	Very low	40.1	Very low	105 Å²	105	152.6 Å²	152.6	68%	0.682	79%	0.792	S	S	*	*			trans	-111	127.5	159.8	7.2	16	0	0	0	112.1	A41 L45	A41-P43 VanDerWaalsContact O-CD 3.26Å; A41-P43 WeakPolarHBondContact O-CD 3.09Å; P43-L45 PolarHBondContact O-N 3.24Å
44	S	32.2	Very low	42	Very low	110 Å²	110	146.3 Å²	146.3	77%	0.769	76%	0.756	S	S	*	*			trans	34.8	78.4	160.6	59.2	0	0	0	0	118.4	F46	S44-F46 PolarHBondContact O-N 3.15Å
45	L	34.1	Very low	44.4	Very low	129 Å²	129	140.7 Å²	140.7	68%	0.675	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	77.3	170.9	-74.4	164.3	0	0	0	112.9	P43	P43-L45 PolarHBondContact O-N 3.24Å
46	F	31.7	Very low	46.3	Very low	205 Å²	205	139.2 Å²	139.2	90%	0.899	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-155	-8.5	164.8	-112.4	-69	0	0	0	118.5	S44	S44-F46 PolarHBondContact O-N 3.15Å
47	Q	36	Very low	49	Very low	191 Å²	191	137.9 Å²	137.9	89%	0.893	68%	0.681	S	S	*	*	S	Bend	trans	-127.8	4.4	-176.4	-72.8	-176.6	-21.7	0	0	115.5
48	S	31.7	Very low	51.4	Low	94 Å²	94	130.1 Å²	130.1	66%	0.657	64%	0.64	S	S	*	*	S	Bend	trans	-119.1	16.4	-167.1	47.1	0	0	0	0	115.1
49	R	32.8	Very low	53.7	Low	236 Å²	236	126.8 Å²	126.8	89%	0.891	61%	0.609	S	S	*	*			trans	-100.3	2.1	-172.8	-141.2	178.7	-170	-175	2	115.5	T51	R49-T51 PolarHBondContact O-N 2.75Å
50	M	35.8	Very low	56.4	Low	174 Å²	174	122.4 Å²	122.4	86%	0.857	59%	0.589	S	S	*	*			trans	-77.4	-10.1	-170.5	-106.7	63.9	-176.7	0	0	115.9
51	T	38.4	Very low	58.9	Low	122 Å²	122	114.7 Å²	114.7	75%	0.748	55%	0.554	S	S	*	*			trans	-115.5	83.2	-166.8	53.5	0	0	0	0	113.1	R49	R49-T51 PolarHBondContact O-N 2.75Å
52	R	61.5	Low	61.7	Low	161 Å²	161	110.7 Å²	110.7	61%	0.608	52%	0.52	S	S	*	.			trans	-165.3	5.2	161.3	-118.5	172.6	-147.7	-178.5	8.4	117.9	V275	R52-V275 WeakPolarHBondContact O-CG1 3.33Å
53	Y	70.8	Confident	64.4	Low	182 Å²	182	103 Å²	103	71%	0.714	49%	0.494	S	S	*	.			trans	-98.3	147.3	-178.5	-67	-79.9	0	0	0	112.2	E5	E5-Y53 WeakPolarHBondContact OE1-CD1 3.01Å; E5-Y53 WeakPolarHBondContact OE1-CE1 3.4Å
54	R	83.7	Confident	67.1	Low	32 Å²	32	99.9 Å²	99.9	12%	0.121	47%	0.469	C	S	.	.			trans	-67.7	150.9	169.5	-178.7	176	174	-166	-3.4	109.8	D7 W56 M59 F249 V275	D7-R54 VanDerWaalsContact CB-NH1 3.29Å; D7-R54 IonicContact OD2-CZ 3.18Å; D7-R54 IonicContact OD2-NH1 2.79Å; D7-R54 PolarHBondContact OD2-NH1 3.3Å; D7-R54 IonicContact OD2-NH2 3.77Å; D7-R54 PolarHBondContact OD2-NH2 3.5Å; R54-W56 PolarHBondContact O-N 2.82Å; R54-M59 PolarHBondContact NH1-SD 3.03Å; R54-F249 VanDerWaalsContact NH2-CD2 3.3Å; R54-F249 VanDerWaalsContact NH2-CE2 3.27Å; R54-F249 VanDerWaalsContact NH2-CZ 3.32Å; R54-V275 HydrophobicContact CB-CG2 4.15Å
55	N	89.5	Confident	70.1	Confident	35 Å²	35	94.6 Å²	94.6	19%	0.187	43%	0.432	C	S	.	.			trans	-65.8	101.3	174.3	-178.4	-13.8	0	0	0	110.7	R57 A58 M59 D245	N55-R57 VanDerWaalsContact C-N 3.31Å; N55-R57 PolarHBondContact O-N 3.2Å; N55-R57 PolarHBondContact OD1-N 3.38Å; N55-A58 HydrophobicContact CB-CB 3.94Å; N55-A58 PolarHBondContact O-N 3.27Å; N55-A58 PolarHBondContact OD1-N 2.86Å; N55-M59 PolarHBondContact O-N 2.92Å; N55-D245 HydrophobicContact CB-CB 4.3Å; N55-D245 VanDerWaalsContact CB-CG 3.47Å; N55-D245 WeakPolarHBondContact CB-OD2 3.32Å; N55-D245 PolarHBondContact ND2-OD2 2.8Å
56	W	88.2	Confident	73	Confident	129 Å²	129	89.4 Å²	89.4	49%	0.489	40%	0.403	S	S	.	.	H	α-helix	trans	-62.8	-35.4	-173.6	76.1	-93.8	0	0	0	112.9	R54 M59 Q60	R54-W56 PolarHBondContact O-N 2.82Å; W56-M59 WeakPolarHBondContact O-CB 3.23Å; W56-M59 PolarHBondContact O-N 2.81Å; W56-Q60 HydrophobicContact CE3-CG 4.32Å; W56-Q60 PolarHBondContact O-N 2.89Å
57	R	90.7	Very high	75.8	Confident	44 Å²	44	83.9 Å²	83.9	17%	0.166	38%	0.38	C	S	.	.	H	α-helix	trans	-64.5	-46.6	175.3	-69.9	-174.5	160.8	116.6	-3.5	111.8	N55 M59 Q60 D61 A394 L395 E398	N55-R57 VanDerWaalsContact C-N 3.31Å; N55-R57 PolarHBondContact O-N 3.2Å; N55-R57 PolarHBondContact OD1-N 3.38Å; R57-M59 VanDerWaalsContact C-N 3.29Å; R57-M59 PolarHBondContact O-N 3.14Å; R57-Q60 PolarHBondContact O-N 3.05Å; R57-D61 WeakPolarHBondContact O-CB 3.5Å; R57-D61 PolarHBondContact O-N 2.69Å; R57-A394 HydrophobicContact CB-CB 4.48Å; R57-L395 VanDerWaalsContact NH2-CD2 3.31Å; R57-E398 WeakPolarHBondContact CD-OE1 3.34Å; R57-E398 WeakPolarHBondContact CG-OE1 3.49Å; R57-E398 IonicContact CZ-OE2 3.82Å; R57-E398 IonicContact NE-OE1 3.24Å; R57-E398 PolarHBondContact NE-OE1 3.09Å; R57-E398 IonicContact NE-OE2 2.94Å; R57-E398 PolarHBondContact NE-OE2 3.04Å; R57-E398 IonicContact NH2-OE2 2.97Å; R57-E398 PolarHBondContact NH2-OE2 3.12Å
58	A	93.1	Very high	78.5	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-62.2	-39.5	176.8	0	0	0	0	0	111.6	N55 M62 D245 Y246	N55-A58 HydrophobicContact CB-CB 3.94Å; N55-A58 PolarHBondContact O-N 3.27Å; N55-A58 PolarHBondContact OD1-N 2.86Å; A58-M62 VanDerWaalsContact O-CB 3.27Å; A58-M62 WeakPolarHBondContact O-CB 3.32Å; A58-M62 WeakPolarHBondContact O-CG 3.3Å; A58-M62 PolarHBondContact O-N 3Å; A58-D245 HydrophobicContact CB-CB 3.82Å; A58-Y246 HydrophobicContact CB-CD1 4.07Å; A58-Y246 HydrophobicContact CB-CD2 3.93Å; A58-Y246 HydrophobicContact CB-CE1 3.69Å; A58-Y246 HydrophobicContact CB-CE2 3.53Å; A58-Y246 HydrophobicContact CB-CG 4.19Å
59	M	92.1	Very high	81.4	Confident	18 Å²	18	75 Å²	75	9%	0.089	33%	0.331	C	S	.	.	H	α-helix	trans	-61.5	-49.8	174.5	-174.7	171.9	78.4	0	0	111.9	P4 R54 N55 W56 R57 M62 Q63	P4-M59 WeakPolarHBondContact O-CE 3.41Å; R54-M59 PolarHBondContact NH1-SD 3.03Å; N55-M59 PolarHBondContact O-N 2.92Å; W56-M59 WeakPolarHBondContact O-CB 3.23Å; W56-M59 PolarHBondContact O-N 2.81Å; R57-M59 VanDerWaalsContact C-N 3.29Å; R57-M59 PolarHBondContact O-N 3.14Å; M59-M62 PolarHBondContact O-N 3.14Å; M59-Q63 VanDerWaalsContact O-CB 3.23Å; M59-Q63 WeakPolarHBondContact O-CB 3.3Å; M59-Q63 PolarHBondContact O-N 3.46Å
60	Q	91.3	Very high	84.1	Confident	107 Å²	107	68.9 Å²	68.9	50%	0.5	32%	0.322	S	S	.	.	H	α-helix	trans	-65.6	-43.3	178.7	-73.5	-170.6	7.7	0	0	112.7	W56 R57 M62 Q63 R64	W56-Q60 HydrophobicContact CE3-CG 4.32Å; W56-Q60 PolarHBondContact O-N 2.89Å; R57-Q60 PolarHBondContact O-N 3.05Å; Q60-M62 PolarHBondContact O-N 2.69Å; Q60-Q63 PolarHBondContact O-N 3.08Å; Q60-R64 VanDerWaalsContact O-CB 3.29Å; Q60-R64 WeakPolarHBondContact O-CB 3.19Å; Q60-R64 PolarHBondContact O-N 3.43Å
61	D	93.7	Very high	86.5	Confident	23 Å²	23	64.8 Å²	64.8	12%	0.123	30%	0.304	C	S	.	.	H	α-helix	trans	-58.7	-49.8	175.7	178.8	37.2	0	0	0	111.6	R57 Q63 R64 Y65 K208	R57-D61 WeakPolarHBondContact O-CB 3.5Å; R57-D61 PolarHBondContact O-N 2.69Å; D61-Q63 VanDerWaalsContact C-N 3.28Å; D61-Q63 PolarHBondContact O-N 2.71Å; D61-R64 PolarHBondContact O-N 3.22Å; D61-Y65 VanDerWaalsContact O-CB 3.3Å; D61-Y65 WeakPolarHBondContact O-CB 3.39Å; D61-Y65 PolarHBondContact O-N 3.13Å; D61-K208 IonicContact OD1-NZ 3.19Å; D61-K208 PolarHBondContact OD1-NZ 3.44Å; D61-K208 IonicContact OD2-NZ 3.89Å; D61-K208 PolarHBondContact OD2-NZ 3.38Å
62	M	95.4	Very high	88.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-69.1	-25.7	178.9	-63.8	-69.3	97.3	0	0	112.7	A58 M59 Q60 R66 T204 K208 Y246 F249 A250	A58-M62 VanDerWaalsContact O-CB 3.27Å; A58-M62 WeakPolarHBondContact O-CB 3.32Å; A58-M62 WeakPolarHBondContact O-CG 3.3Å; A58-M62 PolarHBondContact O-N 3Å; M59-M62 PolarHBondContact O-N 3.14Å; Q60-M62 PolarHBondContact O-N 2.69Å; M62-R66 VanDerWaalsContact O-CG 3.27Å; M62-R66 WeakPolarHBondContact O-CG 3.31Å; M62-R66 PolarHBondContact O-N 3.31Å; M62-R66 PolarHBondContact O-NE 3.49Å; M62-T204 HydrophobicContact CE-CG2 4.06Å; M62-K208 HydrophobicContact CE-CD 3.74Å; M62-K208 HydrophobicContact CE-CG 4.05Å; M62-Y246 HydrophobicContact CE-CD1 4.14Å; M62-Y246 HydrophobicContact CG-CD1 4.28Å; M62-Y246 HydrophobicContact SD-CD1 4.42Å; M62-Y246 VanDerWaalsContact SD-O 3.34Å; M62-F249 HydrophobicContact CB-CB 3.56Å; M62-F249 HydrophobicContact CG-CB 3.81Å; M62-F249 HydrophobicContact SD-CB 4.48Å; M62-A250 HydrophobicContact SD-CB 3.77Å; M62-A250 PolarHBondContact SD-N 3.22Å
63	Q	92.6	Very high	90	Very high	65 Å²	65	59.3 Å²	59.3	30%	0.304	29%	0.286	S	S	.	.	H	α-helix	trans	-72.4	-51.6	171.2	-170.4	174.5	4.3	0	0	110.9	M59 Q60 D61 Y65 R66 H67	M59-Q63 VanDerWaalsContact O-CB 3.23Å; M59-Q63 WeakPolarHBondContact O-CB 3.3Å; M59-Q63 PolarHBondContact O-N 3.46Å; Q60-Q63 PolarHBondContact O-N 3.08Å; D61-Q63 VanDerWaalsContact C-N 3.28Å; D61-Q63 PolarHBondContact O-N 2.71Å; Q63-Y65 VanDerWaalsContact C-N 3.32Å; Q63-Y65 PolarHBondContact O-N 3.22Å; Q63-R66 PolarHBondContact O-N 3.22Å; Q63-R66 VanDerWaalsContact O-N 3.14Å; Q63-H67 PolarHBondContact O-N 3.35Å; Q63-H67 VanDerWaalsContact O-N 3.09Å; Q63-H67 PolarHBondContact O-ND1 3.47Å
64	R	93.5	Very high	90.5	Very high	40 Å²	40	53.4 Å²	53.4	15%	0.151	27%	0.267	C	S	.	.	H	α-helix	trans	-52.9	-48.4	177.1	-173.5	-164.1	-177.8	-155.3	18.7	111.3	Q60 D61 R66 H67 N68 Y69 D71 E129	Q60-R64 VanDerWaalsContact O-CB 3.29Å; Q60-R64 WeakPolarHBondContact O-CB 3.19Å; Q60-R64 PolarHBondContact O-N 3.43Å; D61-R64 PolarHBondContact O-N 3.22Å; R64-R66 PolarHBondContact O-N 2.93Å; R64-H67 CarbonylContact O-C 3.55Å; R64-H67 PolarHBondContact O-N 2.83Å; R64-N68 PolarHBondContact O-N 2.94Å; R64-Y69 HydrophobicContact CG-CD1 3.91Å; R64-Y69 PolarHBondContact O-N 3.03Å; R64-D71 IonicContact CZ-OD1 3.06Å; R64-D71 IonicContact CZ-OD2 3.35Å; R64-D71 VanDerWaalsContact CZ-OD2 3.23Å; R64-D71 IonicContact NE-OD1 3.16Å; R64-D71 PolarHBondContact NE-OD1 3.32Å; R64-D71 IonicContact NE-OD2 3.41Å; R64-D71 PolarHBondContact NE-OD2 3.42Å; R64-D71 IonicContact NH2-OD1 3.23Å; R64-D71 IonicContact NH2-OD2 2.79Å; R64-D71 PolarHBondContact NH2-OD2 3.42Å; R64-E129 IonicContact CZ-OE1 3.23Å; R64-E129 IonicContact NH1-OE1 2.63Å; R64-E129 PolarHBondContact NH1-OE1 2.83Å
65	Y	95.3	Very high	89.9	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-55.4	-48.4	174.4	165.8	-110.3	0	0	0	114	D61 Q63 H67 N68 Y69 K208 G211 E212 Q219 A250 R252	D61-Y65 VanDerWaalsContact O-CB 3.3Å; D61-Y65 WeakPolarHBondContact O-CB 3.39Å; D61-Y65 PolarHBondContact O-N 3.13Å; Q63-Y65 VanDerWaalsContact C-N 3.32Å; Q63-Y65 PolarHBondContact O-N 3.22Å; Y65-H67 VanDerWaalsContact C-N 3.3Å; Y65-H67 PolarHBondContact O-N 2.7Å; Y65-N68 PolarHBondContact O-N 3.02Å; Y65-N68 VanDerWaalsContact O-N 3.11Å; Y65-Y69 HydrophobicContact CD2-CE1 4.3Å; Y65-Y69 HydrophobicContact CD2-CE2 4.27Å; Y65-Y69 AromaticContact CD2-CZ 3.73Å; Y65-Y69 WeakPolarHBondContact CD2-OH 3.39Å; Y65-K208 HydrophobicContact CD1-CG 4.35Å; Y65-K208 HydrophobicContact CD2-CB 4.05Å; Y65-K208 HydrophobicContact CD2-CD 4.39Å; Y65-K208 HydrophobicContact CD2-CG 3.9Å; Y65-K208 HydrophobicContact CE1-CG 4.42Å; Y65-K208 HydrophobicContact CE2-CB 3.66Å; Y65-K208 HydrophobicContact CE2-CG 3.91Å; Y65-K208 WeakPolarHBondContact CE2-O 3.39Å; Y65-K208 HydrophobicContact CG-CG 4.1Å; Y65-K208 WeakPolarHBondContact OH-CA 3.22Å; Y65-K208 PolarHBondContact OH-O 3.39Å; Y65-G211 WeakPolarHBondContact OH-CA 3.26Å; Y65-E212 HydrophobicContact CE2-CG 4.07Å; Y65-E212 WeakPolarHBondContact CE2-OE1 3.38Å; Y65-Q219 PolarHBondContact OH-NE2 2.83Å; Y65-A250 WeakPolarHBondContact CE1-O 3.27Å; Y65-R252 HydrophobicContact CE1-CG 3.77Å; Y65-R252 PolarHBondContact O-NH1 2.9Å; Y65-R252 WeakPolarHBondContact OH-CD 3.44Å; Y65-R252 WeakPolarHBondContact OH-CG 3.41Å
66	R	94.4	Very high	88.7	Confident	20 Å²	20	65.7 Å²	65.7	8%	0.075	33%	0.33	C	S	.	.	H	α-helix	trans	-67.6	-31.8	-178	-75	178.9	-67.7	115.8	-14.5	112.5	D7 S8 M62 Q63 R64 N68 F249 R257	D7-R66 IonicContact OD1-CZ 2.78Å; D7-R66 IonicContact OD1-NH1 2.65Å; D7-R66 IonicContact OD1-NH2 2.96Å; D7-R66 PolarHBondContact OD1-NH2 3.27Å; D7-R66 IonicContact OD2-NH2 2.67Å; D7-R66 PolarHBondContact OD2-NH2 3.46Å; S8-R66 PolarHBondContact OG-NH1 3.39Å; M62-R66 VanDerWaalsContact O-CG 3.27Å; M62-R66 WeakPolarHBondContact O-CG 3.31Å; M62-R66 PolarHBondContact O-N 3.31Å; M62-R66 PolarHBondContact O-NE 3.49Å; Q63-R66 PolarHBondContact O-N 3.22Å; Q63-R66 VanDerWaalsContact O-N 3.14Å; R64-R66 PolarHBondContact O-N 2.93Å; R66-N68 PolarHBondContact O-N 3.1Å; R66-F249 WeakPolarHBondContact CD-O 3.3Å; R66-F249 PolarHBondContact NE-O 2.81Å; R66-R257 VanDerWaalsContact CD-CZ 3.43Å; R66-R257 VanDerWaalsContact CZ-NH1 3.28Å
67	H	92.1	Very high	87.4	Confident	89 Å²	89	61.3 Å²	61.3	41%	0.412	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	24.2	173.5	-52.3	96.1	0	0	0	112.9	S8 Q63 R64 Y65 Y69	S8-H67 PolarHBondContact OG-CE1 3.46Å; S8-H67 VanDerWaalsContact OG-CE1 3.25Å; S8-H67 PolarHBondContact OG-NE2 3.27Å; Q63-H67 PolarHBondContact O-N 3.35Å; Q63-H67 VanDerWaalsContact O-N 3.09Å; Q63-H67 PolarHBondContact O-ND1 3.47Å; R64-H67 CarbonylContact O-C 3.55Å; R64-H67 PolarHBondContact O-N 2.83Å; Y65-H67 VanDerWaalsContact C-N 3.3Å; Y65-H67 PolarHBondContact O-N 2.7Å; H67-Y69 VanDerWaalsContact C-N 3.3Å; H67-Y69 PolarHBondContact O-N 2.84Å
68	N	92.2	Very high	86.3	Confident	94 Å²	94	67.3 Å²	67.3	50%	0.503	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	18.7	171.1	-51.2	-38.7	0	0	0	116.4	R64 Y65 R66 R128 R252	R64-N68 PolarHBondContact O-N 2.94Å; Y65-N68 PolarHBondContact O-N 3.02Å; Y65-N68 VanDerWaalsContact O-N 3.11Å; R66-N68 PolarHBondContact O-N 3.1Å; N68-R128 PolarHBondContact O-NH1 3.26Å; N68-R252 PolarHBondContact OD1-NH2 3.33Å
69	Y	92.2	Very high	85.4	Confident	3 Å²	3	70 Å²	70	1%	0.012	38%	0.382	C	S	.	.			trans	57.8	73.7	-173.8	-37.9	-87.2	0	0	0	111.8	R64 Y65 H67 D71 L72 R128 E129 E212	R64-Y69 HydrophobicContact CG-CD1 3.91Å; R64-Y69 PolarHBondContact O-N 3.03Å; Y65-Y69 HydrophobicContact CD2-CE1 4.3Å; Y65-Y69 HydrophobicContact CD2-CE2 4.27Å; Y65-Y69 AromaticContact CD2-CZ 3.73Å; Y65-Y69 WeakPolarHBondContact CD2-OH 3.39Å; H67-Y69 VanDerWaalsContact C-N 3.3Å; H67-Y69 PolarHBondContact O-N 2.84Å; Y69-D71 PolarHBondContact O-N 3.5Å; Y69-D71 VanDerWaalsContact O-N 3.13Å; Y69-L72 HydrophobicContact CD1-CD1 4.16Å; Y69-L72 HydrophobicContact CD2-CD1 4.36Å; Y69-L72 HydrophobicContact CG-CD1 3.84Å; Y69-L72 PolarHBondContact O-N 2.93Å; Y69-R128 HydrophobicContact CD2-CB 3.84Å; Y69-R128 HydrophobicContact CD2-CG 4.3Å; Y69-R128 HydrophobicContact CE2-CB 3.84Å; Y69-R128 HydrophobicContact CE2-CG 4.27Å; Y69-R128 PolarHBondContact O-NH1 3.29Å; Y69-E129 HydrophobicContact CD1-CG 3.89Å; Y69-E129 HydrophobicContact CE1-CG 3.42Å; Y69-E129 VanDerWaalsContact CE1-CG 3.42Å; Y69-E129 VanDerWaalsContact CE1-OE1 3.25Å; Y69-E129 WeakPolarHBondContact CE1-OE1 3.47Å; Y69-E212 VanDerWaalsContact CE2-OE1 3.26Å; Y69-E212 WeakPolarHBondContact CE2-OE1 3.41Å; Y69-E212 PolarHBondContact OH-OE1 2.92Å
70	P	88.8	Confident	85	Confident	109 Å²	109	72.3 Å²	72.3	71%	0.708	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.4	-174.2	29.9	-36.1	0	0	0	113.3
71	D	87.9	Confident	85	Confident	88 Å²	88	69 Å²	69	47%	0.471	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-7.7	177	62.8	-53	0	0	0	113.9	R64 Y69	R64-D71 IonicContact CZ-OD1 3.06Å; R64-D71 IonicContact CZ-OD2 3.35Å; R64-D71 VanDerWaalsContact CZ-OD2 3.23Å; R64-D71 IonicContact NE-OD1 3.16Å; R64-D71 PolarHBondContact NE-OD1 3.32Å; R64-D71 IonicContact NE-OD2 3.41Å; R64-D71 PolarHBondContact NE-OD2 3.42Å; R64-D71 IonicContact NH2-OD1 3.23Å; R64-D71 IonicContact NH2-OD2 2.79Å; R64-D71 PolarHBondContact NH2-OD2 3.42Å; Y69-D71 PolarHBondContact O-N 3.5Å; Y69-D71 VanDerWaalsContact O-N 3.13Å
72	L	88.6	Confident	85	Confident	40 Å²	40	69 Å²	69	21%	0.209	38%	0.381	C	S	.	.			trans	-98.1	109.6	175.6	-65.8	-176.8	0	0	0	111	Y69 R128 E129	Y69-L72 HydrophobicContact CD1-CD1 4.16Å; Y69-L72 HydrophobicContact CD2-CD1 4.36Å; Y69-L72 HydrophobicContact CG-CD1 3.84Å; Y69-L72 PolarHBondContact O-N 2.93Å; L72-R128 HydrophobicContact CD1-CB 4.22Å; L72-R128 WeakPolarHBondContact CD1-O 3.22Å; L72-R128 PolarHBondContact O-NH1 3.04Å; L72-R128 PolarHBondContact O-NH2 3.12Å; L72-E129 HydrophobicContact CD1-CG 4.05Å
73	T	83.3	Confident	85	Confident	127 Å²	127	69 Å²	69	78%	0.779	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-79.9	146.6	159.5	49.9	0	0	0	0	110.4
74	D	81.8	Confident	85.1	Confident	58 Å²	58	66.6 Å²	66.6	31%	0.31	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-68.2	135.6	167.6	-74.9	6.1	0	0	0	108.9	R128 T140 L141	D74-R128 IonicContact OD1-CZ 2.73Å; D74-R128 IonicContact OD1-NE 2.74Å; D74-R128 PolarHBondContact OD1-NE 3.18Å; D74-R128 IonicContact OD1-NH2 2.71Å; D74-R128 PolarHBondContact OD1-NH2 3.19Å; D74-T140 HydrophobicContact CB-CG2 4.41Å; D74-T140 WeakPolarHBondContact OD2-CA 3.4Å; D74-T140 WeakPolarHBondContact OD2-CB 3.48Å; D74-L141 WeakPolarHBondContact OD2-CB 3.49Å; D74-L141 PolarHBondContact OD2-N 3.32Å
75	Q	71.4	Confident	85.3	Confident	155 Å²	155	65.9 Å²	65.9	72%	0.724	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-75.1	150.1	173.4	-64.7	-179.9	-0.6	0	0	110.3	C77	Q75-C77 PolarHBondContact O-N 3.49Å; Q75-C77 PolarHBondContact O-SG 2.99Å; Q75-C77 VanDerWaalsContact O-SG 3.39Å
76	D	63.6	Low	85.3	Confident	170 Å²	170	65.9 Å²	65.9	91%	0.909	37%	0.371	S	S	*	.			trans	-68.6	76.6	177.1	-76.9	-51.6	0	0	0	112	N78	D76-N78 PolarHBondContact O-N 3.07Å
77	C	61.9	Low	85.5	Confident	38 Å²	38	64.9 Å²	64.9	26%	0.257	37%	0.368	S	S	.	.			trans	-66.9	6.6	-177.4	-69.1	0	0	0	0	114.6	Q75 G79 D80	Q75-C77 PolarHBondContact O-N 3.49Å; Q75-C77 PolarHBondContact O-SG 2.99Å; Q75-C77 VanDerWaalsContact O-SG 3.39Å; C77-G79 PolarHBondContact O-N 3.42Å; C77-D80 WeakPolarHBondContact O-CB 3.45Å; C77-D80 PolarHBondContact O-N 3.34Å
78	N	68.3	Low	85.7	Confident	170 Å²	170	64.7 Å²	64.7	91%	0.909	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	29.6	-175.5	-162.3	29.6	0	0	0	113.9	D76	D76-N78 PolarHBondContact O-N 3.07Å
79	G	74	Confident	86	Confident	55 Å²	55	62.3 Å²	62.3	57%	0.567	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	-1.7	-176.6	0	0	0	0	0	116.2	C77	C77-G79 PolarHBondContact O-N 3.42Å
80	D	83.3	Confident	86.1	Confident	67 Å²	67	67.2 Å²	67.2	36%	0.358	38%	0.376	S	S	.	.			trans	-64.1	136.6	173.2	-176.7	8.1	0	0	0	111.3	C77 C82 K137	C77-D80 WeakPolarHBondContact O-CB 3.45Å; C77-D80 PolarHBondContact O-N 3.34Å; D80-C82 PolarHBondContact OD1-N 3.01Å; D80-C82 PolarHBondContact OD1-SG 3.03Å; D80-C82 PolarHBondContact OD2-SG 3.39Å; D80-K137 IonicContact OD2-NZ 2.72Å; D80-K137 PolarHBondContact OD2-NZ 2.88Å
81	M	91.8	Very high	86.4	Confident	38 Å²	38	64.9 Å²	64.9	19%	0.187	36%	0.357	C	S	.	.			trans	-134	56.1	-178.1	-64.7	-178.7	161.5	0	0	110	N83 L84 S85 K142 E143	M81-N83 PolarHBondContact O-N 3.39Å; M81-N83 VanDerWaalsContact O-N 3.16Å; M81-L84 HydrophobicContact CB-CB 3.86Å; M81-L84 HydrophobicContact CB-CD2 4.41Å; M81-L84 PolarHBondContact O-N 3.15Å; M81-L84 HydrophobicContact SD-CD2 3.65Å; M81-S85 PolarHBondContact O-N 3.03Å; M81-K142 HydrophobicContact CE-CB 4.14Å; M81-K142 HydrophobicContact CE-CD 3.47Å; M81-K142 VanDerWaalsContact CE-CD 3.47Å; M81-K142 HydrophobicContact CE-CG 3.5Å; M81-K142 VanDerWaalsContact CE-CG 3.5Å; M81-E143 WeakPolarHBondContact CA-OE1 3.39Å; M81-E143 HydrophobicContact CB-CG 3.92Å; M81-E143 HydrophobicContact CG-CG 3.94Å
82	C	93.2	Very high	86.8	Confident	23 Å²	23	63.1 Å²	63.1	16%	0.155	35%	0.35	C	S	.	.	H	α-helix	trans	-48.2	-40.3	-178.7	-81.4	0	0	0	0	113.7	D80 F86 I91 W123 K137 E143	D80-C82 PolarHBondContact OD1-N 3.01Å; D80-C82 PolarHBondContact OD1-SG 3.03Å; D80-C82 PolarHBondContact OD2-SG 3.39Å; C82-F86 WeakPolarHBondContact O-CB 3.43Å; C82-F86 PolarHBondContact O-N 3.49Å; C82-I91 HydrophobicContact CB-CD1 4.36Å; C82-W123 HydrophobicContact CB-CH2 4.49Å; C82-W123 HydrophobicContact CB-CZ3 4.4Å; C82-K137 HydrophobicContact CB-CD 4.25Å; C82-E143 PolarHBondContact N-OE1 3.04Å
83	N	94.9	Very high	87	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-68.7	-42.9	179.6	-58.4	-67.3	0	0	0	110.2	M81 F86 Y87 P126 K137 L139 E143 F147	M81-N83 PolarHBondContact O-N 3.39Å; M81-N83 VanDerWaalsContact O-N 3.16Å; N83-F86 PolarHBondContact O-N 2.85Å; N83-Y87 WeakPolarHBondContact O-CD2 3.34Å; N83-Y87 PolarHBondContact O-N 2.98Å; N83-Y87 VanDerWaalsContact O-N 3.08Å; N83-P126 HydrophobicContact CB-CB 4.27Å; N83-P126 HydrophobicContact CB-CG 4.43Å; N83-K137 PolarHBondContact ND2-O 3.24Å; N83-K137 PolarHBondContact OD1-O 3.32Å; N83-L139 HydrophobicContact CB-CD1 4.07Å; N83-E143 WeakPolarHBondContact CA-OE1 3.29Å; N83-E143 VanDerWaalsContact CB-OE1 3.24Å; N83-E143 WeakPolarHBondContact CB-OE1 3.28Å; N83-E143 PolarHBondContact N-OE1 2.79Å; N83-E143 PolarHBondContact ND2-OE2 3.19Å; N83-F147 HydrophobicContact CB-CE2 4.17Å; N83-F147 HydrophobicContact CB-CZ 4.08Å
84	L	95.7	Very high	87.4	Confident	13 Å²	13	59.9 Å²	59.9	7%	0.068	33%	0.325	C	S	.	.	H	α-helix	trans	-64.4	-43.8	177	-171.9	69.4	0	0	0	112	M81 Y87 K88 E143 A146 F147 V153	M81-L84 HydrophobicContact CB-CB 3.86Å; M81-L84 HydrophobicContact CB-CD2 4.41Å; M81-L84 PolarHBondContact O-N 3.15Å; M81-L84 HydrophobicContact SD-CD2 3.65Å; L84-Y87 CarbonylContact O-C 3.57Å; L84-Y87 PolarHBondContact O-N 3.46Å; L84-Y87 VanDerWaalsContact O-N 3.16Å; L84-K88 HydrophobicContact CG-CD 4.46Å; L84-K88 WeakPolarHBondContact O-CG 3.29Å; L84-K88 PolarHBondContact O-N 3.46Å; L84-E143 HydrophobicContact CB-CG 4.44Å; L84-E143 PolarHBondContact N-OE1 3.43Å; L84-A146 HydrophobicContact CD1-CB 3.93Å; L84-A146 HydrophobicContact CD2-CB 3.71Å; L84-A146 HydrophobicContact CG-CB 4.45Å; L84-F147 HydrophobicContact CB-CE2 4.03Å; L84-F147 HydrophobicContact CD1-CD2 3.75Å; L84-F147 HydrophobicContact CD1-CE2 3.96Å; L84-V153 HydrophobicContact CD1-CG2 4.01Å
85	S	95.9	Very high	87.7	Confident	25 Å²	25	60.9 Å²	60.9	18%	0.175	34%	0.335	C	S	.	.	H	α-helix	trans	-67.1	-35	179.1	-77.6	0	0	0	0	112.9	M81 Y87 K88 N89 E90 I91	M81-S85 PolarHBondContact O-N 3.03Å; S85-Y87 VanDerWaalsContact C-N 3.35Å; S85-K88 PolarHBondContact O-N 3.29Å; S85-N89 PolarHBondContact O-N 3.46Å; S85-E90 WeakPolarHBondContact CA-OE2 3.35Å; S85-E90 WeakPolarHBondContact CB-OE2 3.5Å; S85-E90 WeakPolarHBondContact O-CB 3.26Å; S85-E90 PolarHBondContact O-N 2.83Å; S85-E90 PolarHBondContact OG-OE2 3.02Å; S85-I91 PolarHBondContact O-N 3.33Å
86	F	96.9	Very high	87.9	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.7	-46.3	169.1	169.2	-111.5	0	0	0	110.6	C82 N83 K88 N89 I91 F93 I100 I103 W123 L124	C82-F86 WeakPolarHBondContact O-CB 3.43Å; C82-F86 PolarHBondContact O-N 3.49Å; N83-F86 PolarHBondContact O-N 2.85Å; F86-K88 VanDerWaalsContact C-N 3.34Å; F86-K88 PolarHBondContact O-N 3.09Å; F86-N89 WeakPolarHBondContact O-CA 3.35Å; F86-N89 PolarHBondContact O-N 2.94Å; F86-I91 HydrophobicContact CB-CG1 4.05Å; F86-F93 HydrophobicContact CD2-CB 4.04Å; F86-F93 HydrophobicContact CE2-CB 3.69Å; F86-F93 HydrophobicContact CZ-CB 4.21Å; F86-I100 HydrophobicContact CD1-CD1 4.43Å; F86-I100 HydrophobicContact CD2-CB 4.35Å; F86-I100 HydrophobicContact CE1-CB 4.18Å; F86-I100 HydrophobicContact CE1-CD1 3.87Å; F86-I100 HydrophobicContact CE1-CG1 4.15Å; F86-I100 HydrophobicContact CE2-CB 3.77Å; F86-I100 HydrophobicContact CE2-CG1 4.5Å; F86-I100 HydrophobicContact CZ-CB 3.69Å; F86-I100 HydrophobicContact CZ-CD1 4.17Å; F86-I100 HydrophobicContact CZ-CG1 3.91Å; F86-I100 WeakPolarHBondContact O-CG2 3.45Å; F86-I103 HydrophobicContact CE2-CD1 4.16Å; F86-I103 HydrophobicContact CZ-CD1 3.88Å; F86-W123 HydrophobicContact CB-CE3 3.84Å; F86-W123 HydrophobicContact CB-CZ3 3.95Å; F86-W123 HydrophobicContact CD1-CB 4.1Å; F86-W123 HydrophobicContact CD1-CE3 4.06Å; F86-W123 HydrophobicContact CD2-CE3 4.44Å; F86-W123 HydrophobicContact CE1-CB 3.81Å; F86-W123 WeakPolarHBondContact CE1-O 3.33Å; F86-W123 AromaticContact CG-CE3 3.85Å; F86-W123 HydrophobicContact CG-CE3 3.85Å; F86-W123 HydrophobicContact CG-CZ3 4.42Å; F86-W123 HydrophobicContact CZ-CB 4.19Å; F86-L124 HydrophobicContact CE1-CD2 4.04Å; F86-L124 HydrophobicContact CZ-CD2 3.97Å
87	Y	97.7	Very high	88.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-69.2	-24.7	177.9	-95.5	-90.5	0	0	0	115.4	N83 L84 S85 N89 I100 W123 L124 F147 V153 R156 L157	N83-Y87 WeakPolarHBondContact O-CD2 3.34Å; N83-Y87 PolarHBondContact O-N 2.98Å; N83-Y87 VanDerWaalsContact O-N 3.08Å; L84-Y87 CarbonylContact O-C 3.57Å; L84-Y87 PolarHBondContact O-N 3.46Å; L84-Y87 VanDerWaalsContact O-N 3.16Å; S85-Y87 VanDerWaalsContact C-N 3.35Å; Y87-N89 PolarHBondContact O-N 2.69Å; Y87-I100 HydrophobicContact CD1-CD1 3.54Å; Y87-I100 HydrophobicContact CD2-CD1 4.22Å; Y87-I100 HydrophobicContact CE1-CD1 3.51Å; Y87-I100 HydrophobicContact CE2-CD1 4.22Å; Y87-I100 HydrophobicContact CG-CD1 3.92Å; Y87-W123 WeakPolarHBondContact CE2-O 3.38Å; Y87-L124 PolarHBondContact OH-O 3.34Å; Y87-F147 HydrophobicContact CD1-CE1 4.06Å; Y87-F147 AromaticContact CD2-CE1 3.46Å; Y87-F147 HydrophobicContact CD2-CE1 3.46Å; Y87-F147 VanDerWaalsContact CD2-CE1 3.46Å; Y87-F147 AromaticContact CD2-CZ 3.4Å; Y87-F147 HydrophobicContact CD2-CZ 3.4Å; Y87-F147 HydrophobicContact CE1-CE1 4.3Å; Y87-F147 AromaticContact CE2-CE1 3.7Å; Y87-F147 HydrophobicContact CE2-CE1 3.7Å; Y87-F147 AromaticContact CE2-CZ 3.97Å; Y87-F147 HydrophobicContact CE2-CZ 3.97Å; Y87-F147 AromaticContact CG-CE1 3.63Å; Y87-F147 HydrophobicContact CG-CE1 3.63Å; Y87-F147 AromaticContact CG-CZ 3.76Å; Y87-F147 HydrophobicContact CG-CZ 3.76Å; Y87-V153 HydrophobicContact CD1-CG1 3.86Å; Y87-V153 HydrophobicContact CG-CG1 4.03Å; Y87-R156 HydrophobicContact CD1-CB 4.01Å; Y87-R156 HydrophobicContact CE1-CB 4.2Å; Y87-R156 WeakPolarHBondContact O-CD 3.29Å; Y87-R156 PolarHBondContact O-NH1 2.99Å; Y87-L157 HydrophobicContact CE1-CB 3.86Å; Y87-L157 HydrophobicContact CE1-CD1 4.35Å; Y87-L157 WeakPolarHBondContact OH-CD1 3.34Å
88	K	97.2	Very high	90.3	Very high	85 Å²	85	53.7 Å²	53.7	37%	0.37	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-1	168.2	-70.6	177.3	-178.9	174.5	0	113.3	L84 S85 F86 E90 V153	L84-K88 HydrophobicContact CG-CD 4.46Å; L84-K88 WeakPolarHBondContact O-CG 3.29Å; L84-K88 PolarHBondContact O-N 3.46Å; S85-K88 PolarHBondContact O-N 3.29Å; F86-K88 VanDerWaalsContact C-N 3.34Å; F86-K88 PolarHBondContact O-N 3.09Å; K88-E90 HydrophobicContact CB-CG 3.74Å; K88-E90 HydrophobicContact CD-CG 4.3Å; K88-E90 WeakPolarHBondContact CD-OE1 3.19Å; K88-E90 WeakPolarHBondContact CD-OE2 3.19Å; K88-E90 IonicContact NZ-OE1 3.54Å; K88-E90 PolarHBondContact NZ-OE1 3.01Å; K88-E90 IonicContact NZ-OE2 3.47Å; K88-E90 PolarHBondContact O-N 3.16Å; K88-V153 HydrophobicContact CG-CG2 4.47Å
89	N	96.9	Very high	91.6	Very high	44 Å²	44	47.9 Å²	47.9	24%	0.235	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	29	-175.5	-155.5	90.3	0	0	0	112.8	S85 F86 Y87 L99 I100 E101	S85-N89 PolarHBondContact O-N 3.46Å; F86-N89 WeakPolarHBondContact O-CA 3.35Å; F86-N89 PolarHBondContact O-N 2.94Å; Y87-N89 PolarHBondContact O-N 2.69Å; N89-L99 WeakPolarHBondContact OD1-CB 3.29Å; N89-I100 HydrophobicContact CB-CG2 3.85Å; N89-I100 WeakPolarHBondContact OD1-CG2 3.38Å; N89-I100 PolarHBondContact OD1-N 2.9Å; N89-E101 HydrophobicContact CB-CG 4.38Å; N89-E101 VanDerWaalsContact OD1-CB 3.29Å; N89-E101 WeakPolarHBondContact OD1-CB 3.23Å; N89-E101 VanDerWaalsContact OD1-CG 3.26Å; N89-E101 WeakPolarHBondContact OD1-CG 3.49Å; N89-E101 PolarHBondContact OD1-N 3.41Å
90	E	96	Very high	92.7	Very high	105 Å²	105	45.2 Å²	45.2	49%	0.491	25%	0.247	S	C	.	.	S	Bend	trans	-88.1	-33.3	178	-64	168.9	163.7	0	0	112	S85 K88	S85-E90 WeakPolarHBondContact CA-OE2 3.35Å; S85-E90 WeakPolarHBondContact CB-OE2 3.5Å; S85-E90 WeakPolarHBondContact O-CB 3.26Å; S85-E90 PolarHBondContact O-N 2.83Å; S85-E90 PolarHBondContact OG-OE2 3.02Å; K88-E90 HydrophobicContact CB-CG 3.74Å; K88-E90 HydrophobicContact CD-CG 4.3Å; K88-E90 WeakPolarHBondContact CD-OE1 3.19Å; K88-E90 WeakPolarHBondContact CD-OE2 3.19Å; K88-E90 IonicContact NZ-OE1 3.54Å; K88-E90 PolarHBondContact NZ-OE1 3.01Å; K88-E90 IonicContact NZ-OE2 3.47Å; K88-E90 PolarHBondContact O-N 3.16Å
91	I	95	Very high	93.4	Very high	61 Å²	61	44.6 Å²	44.6	31%	0.313	24%	0.242	S	C	.	.	S	Bend	trans	-128.6	151.8	179	67.7	171	0	0	0	112.1	C82 S85 F86 W123	C82-I91 HydrophobicContact CB-CD1 4.36Å; S85-I91 PolarHBondContact O-N 3.33Å; F86-I91 HydrophobicContact CB-CG1 4.05Å; I91-W123 HydrophobicContact CD1-CH2 4.46Å; I91-W123 HydrophobicContact CD1-CZ3 4.29Å
92	C	95.5	Very high	93.6	Very high	50 Å²	50	45.7 Å²	45.7	34%	0.338	25%	0.248	S	C	.	.			trans	-79.1	148.6	171.9	-62.4	0	0	0	0	111.7	G97 F98 L99	C92-G97 VanDerWaalsContact CB-C 3.49Å; C92-G97 PolarHBondContact SG-O 2.95Å; C92-F98 CarbonylContact C-O 3.5Å; C92-F98 WeakPolarHBondContact CA-O 3.28Å; C92-F98 WeakPolarHBondContact CB-O 3.47Å; C92-L99 HydrophobicContact CB-CD2 4.49Å; C92-L99 VanDerWaalsContact SG-CD2 3.54Å
93	F	92.8	Very high	93.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.241	C	C	.	.			trans	-68.1	142.7	169.5	89.6	-93.8	0	0	0	110.8	F86 N96 G97 F98 I103 W107 S119 W123	F86-F93 HydrophobicContact CD2-CB 4.04Å; F86-F93 HydrophobicContact CE2-CB 3.69Å; F86-F93 HydrophobicContact CZ-CB 4.21Å; F93-N96 HydrophobicContact CE2-CB 3.81Å; F93-N96 HydrophobicContact CZ-CB 3.68Å; F93-G97 WeakPolarHBondContact O-CA 3.17Å; F93-G97 PolarHBondContact O-N 2.83Å; F93-F98 HydrophobicContact CD1-CB 4.13Å; F93-F98 WeakPolarHBondContact CD1-O 3.43Å; F93-F98 HydrophobicContact CE1-CB 3.87Å; F93-F98 AromaticContact CE1-CD2 3.9Å; F93-F98 HydrophobicContact CE1-CD2 3.9Å; F93-F98 HydrophobicContact CE1-CG 4.37Å; F93-F98 HydrophobicContact CZ-CD2 4.39Å; F93-F98 PolarHBondContact N-O 3.14Å; F93-I103 HydrophobicContact CD1-CD1 3.59Å; F93-I103 HydrophobicContact CD1-CG1 4.39Å; F93-I103 HydrophobicContact CE1-CD1 3.8Å; F93-I103 HydrophobicContact CE1-CG1 4.22Å; F93-W107 AromaticContact CE1-CH2 3.9Å; F93-W107 HydrophobicContact CE1-CH2 3.9Å; F93-W107 HydrophobicContact CE1-CZ2 4.26Å; F93-W107 AromaticContact CZ-CH2 3.86Å; F93-W107 HydrophobicContact CZ-CH2 3.86Å; F93-W107 HydrophobicContact CZ-CZ2 4.49Å; F93-S119 WeakPolarHBondContact CE2-OG 3.38Å; F93-W123 HydrophobicContact CB-CB 4.02Å; F93-W123 HydrophobicContact CB-CD2 3.82Å; F93-W123 HydrophobicContact CB-CE3 4.45Å; F93-W123 HydrophobicContact CB-CG 3.62Å; F93-W123 AromaticContact CD2-CD1 3.88Å; F93-W123 HydrophobicContact CG-CG 4.49Å
94	Q	91.1	Very high	93.8	Very high	99 Å²	99	45.3 Å²	45.3	46%	0.463	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	147.4	179.6	-69.8	-177.2	6.9	0	0	111.8	W123 N133 H135	Q94-W123 HydrophobicContact CB-CZ2 4.13Å; Q94-W123 PolarHBondContact O-NE1 2.9Å; Q94-N133 PolarHBondContact O-ND2 3.27Å; Q94-H135 HydrophobicContact CB-CB 3.6Å; Q94-H135 PolarHBondContact OE1-ND1 3.14Å
95	P	87.9	Confident	93.7	Very high	79 Å²	79	51.2 Å²	51.2	51%	0.513	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.2	-11.8	4.8	32.8	-33	0	0	0	115.3	G97	P95-G97 PolarHBondContact O-N 3.05Å
96	N	75.6	Confident	93.7	Very high	84 Å²	84	55.1 Å²	55.1	45%	0.449	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-5.2	-164.7	-69.5	3.2	0	0	0	116.3	F93 F98 N117 S119	F93-N96 HydrophobicContact CE2-CB 3.81Å; F93-N96 HydrophobicContact CZ-CB 3.68Å; N96-F98 WeakPolarHBondContact O-CD2 3.49Å; N96-F98 WeakPolarHBondContact O-CE2 3.11Å; N96-N117 PolarHBondContact ND2-OD1 3.29Å; N96-S119 PolarHBondContact ND2-OG 3.04Å
97	G	83.7	Confident	93.6	Very high	42 Å²	42	55.5 Å²	55.5	43%	0.433	29%	0.292	S	S	.	.			trans	86.9	21.6	151.8	0	0	0	0	0	118.9	C92 F93 P95	C92-G97 VanDerWaalsContact CB-C 3.49Å; C92-G97 PolarHBondContact SG-O 2.95Å; F93-G97 WeakPolarHBondContact O-CA 3.17Å; F93-G97 PolarHBondContact O-N 2.83Å; P95-G97 PolarHBondContact O-N 3.05Å
98	F	92.1	Very high	93.4	Very high	87 Å²	87	61.7 Å²	61.7	38%	0.382	32%	0.319	S	S	.	.			trans	-102	151.4	174.7	-60.6	-92.9	0	0	0	113	C92 F93 N96 D102 I103 W107	C92-F98 CarbonylContact C-O 3.5Å; C92-F98 WeakPolarHBondContact CA-O 3.28Å; C92-F98 WeakPolarHBondContact CB-O 3.47Å; F93-F98 HydrophobicContact CD1-CB 4.13Å; F93-F98 WeakPolarHBondContact CD1-O 3.43Å; F93-F98 HydrophobicContact CE1-CB 3.87Å; F93-F98 AromaticContact CE1-CD2 3.9Å; F93-F98 HydrophobicContact CE1-CD2 3.9Å; F93-F98 HydrophobicContact CE1-CG 4.37Å; F93-F98 HydrophobicContact CZ-CD2 4.39Å; F93-F98 PolarHBondContact N-O 3.14Å; N96-F98 WeakPolarHBondContact O-CD2 3.49Å; N96-F98 WeakPolarHBondContact O-CE2 3.11Å; F98-D102 HydrophobicContact CB-CB 4.29Å; F98-D102 HydrophobicContact CD1-CB 4.28Å; F98-I103 HydrophobicContact CB-CG1 4.08Å; F98-W107 AromaticContact CD2-CZ2 3.87Å; F98-W107 HydrophobicContact CD2-CZ2 3.87Å; F98-W107 HydrophobicContact CE2-CZ2 4.15Å; F98-W107 HydrophobicContact CG-CZ2 4.29Å
99	L	96.8	Very high	93.1	Very high	47 Å²	47	63.3 Å²	63.3	25%	0.246	33%	0.332	C	S	.	.			trans	-78.4	160.6	169.5	-58.5	167.5	0	0	0	110.5	N89 C92 E101 D102 I103	N89-L99 WeakPolarHBondContact OD1-CB 3.29Å; C92-L99 HydrophobicContact CB-CD2 4.49Å; C92-L99 VanDerWaalsContact SG-CD2 3.54Å; L99-E101 PolarHBondContact O-N 3Å; L99-D102 WeakPolarHBondContact CB-OD2 3.39Å; L99-D102 PolarHBondContact N-OD2 3.27Å; L99-D102 WeakPolarHBondContact O-CB 3.1Å; L99-D102 PolarHBondContact O-N 3.34Å; L99-I103 WeakPolarHBondContact O-CG1 3.48Å; L99-I103 PolarHBondContact O-N 3.05Å
100	I	97.3	Very high	93	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-62.2	-39.4	-177.5	-170.4	167.3	0	0	0	112.6	F86 Y87 N89 D102 I103 L104 L124 R156	F86-I100 HydrophobicContact CD1-CD1 4.43Å; F86-I100 HydrophobicContact CD2-CB 4.35Å; F86-I100 HydrophobicContact CE1-CB 4.18Å; F86-I100 HydrophobicContact CE1-CD1 3.87Å; F86-I100 HydrophobicContact CE1-CG1 4.15Å; F86-I100 HydrophobicContact CE2-CB 3.77Å; F86-I100 HydrophobicContact CE2-CG1 4.5Å; F86-I100 HydrophobicContact CZ-CB 3.69Å; F86-I100 HydrophobicContact CZ-CD1 4.17Å; F86-I100 HydrophobicContact CZ-CG1 3.91Å; F86-I100 WeakPolarHBondContact O-CG2 3.45Å; Y87-I100 HydrophobicContact CD1-CD1 3.54Å; Y87-I100 HydrophobicContact CD2-CD1 4.22Å; Y87-I100 HydrophobicContact CE1-CD1 3.51Å; Y87-I100 HydrophobicContact CE2-CD1 4.22Å; Y87-I100 HydrophobicContact CG-CD1 3.92Å; N89-I100 HydrophobicContact CB-CG2 3.85Å; N89-I100 WeakPolarHBondContact OD1-CG2 3.38Å; N89-I100 PolarHBondContact OD1-N 2.9Å; I100-D102 VanDerWaalsContact C-N 3.34Å; I100-D102 PolarHBondContact O-N 3.35Å; I100-I103 PolarHBondContact O-N 3.38Å; I100-L104 HydrophobicContact CG1-CD1 3.92Å; I100-L104 HydrophobicContact CG1-CG 4.22Å; I100-L104 VanDerWaalsContact O-CG 3.25Å; I100-L104 WeakPolarHBondContact O-CG 3.34Å; I100-L104 PolarHBondContact O-N 3.12Å; I100-L124 HydrophobicContact CD1-CD2 4.38Å; I100-L124 HydrophobicContact CG1-CD2 4.25Å; I100-R156 HydrophobicContact CD1-CB 4.03Å
101	E	97.1	Very high	93	Very high	54 Å²	54	61.4 Å²	61.4	25%	0.252	32%	0.322	S	S	.	.	H	α-helix	trans	-64.6	-36.3	176.4	-68.9	-66.8	169.5	0	0	112.1	N89 L99 I103 L104 Q105 R156 R159	N89-E101 HydrophobicContact CB-CG 4.38Å; N89-E101 VanDerWaalsContact OD1-CB 3.29Å; N89-E101 WeakPolarHBondContact OD1-CB 3.23Å; N89-E101 VanDerWaalsContact OD1-CG 3.26Å; N89-E101 WeakPolarHBondContact OD1-CG 3.49Å; N89-E101 PolarHBondContact OD1-N 3.41Å; L99-E101 PolarHBondContact O-N 3Å; E101-I103 VanDerWaalsContact C-N 3.33Å; E101-I103 PolarHBondContact O-N 3.34Å; E101-L104 PolarHBondContact O-N 3.5Å; E101-Q105 WeakPolarHBondContact O-CB 3.35Å; E101-Q105 PolarHBondContact O-N 3.44Å; E101-R156 IonicContact OE1-CZ 3.29Å; E101-R156 IonicContact OE1-NE 3.12Å; E101-R156 PolarHBondContact OE1-NE 2.89Å; E101-R156 IonicContact OE1-NH2 3.3Å; E101-R156 PolarHBondContact OE1-NH2 2.8Å; E101-R159 VanDerWaalsContact CD-NH1 3.26Å; E101-R159 IonicContact OE1-NH1 3.19Å; E101-R159 PolarHBondContact OE1-NH1 2.85Å; E101-R159 IonicContact OE2-CZ 3.28Å; E101-R159 IonicContact OE2-NH1 2.82Å; E101-R159 PolarHBondContact OE2-NH1 3.06Å; E101-R159 IonicContact OE2-NH2 3.86Å; E101-R159 PolarHBondContact OE2-NH2 2.94Å
102	D	95.8	Very high	93	Very high	61 Å²	61	63.1 Å²	63.1	33%	0.326	33%	0.332	S	S	.	.	H	α-helix	trans	-63.5	-39.5	177.1	-64.4	-45.9	0	0	0	111.6	F98 L99 I100 N106	F98-D102 HydrophobicContact CB-CB 4.29Å; F98-D102 HydrophobicContact CD1-CB 4.28Å; L99-D102 WeakPolarHBondContact CB-OD2 3.39Å; L99-D102 PolarHBondContact N-OD2 3.27Å; L99-D102 WeakPolarHBondContact O-CB 3.1Å; L99-D102 PolarHBondContact O-N 3.34Å; I100-D102 VanDerWaalsContact C-N 3.34Å; I100-D102 PolarHBondContact O-N 3.35Å; D102-N106 WeakPolarHBondContact O-CB 3.22Å; D102-N106 PolarHBondContact O-N 2.95Å; D102-N106 PolarHBondContact O-ND2 3.33Å
103	I	95.8	Very high	93	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-65.4	-54.2	175.6	-58.6	165.3	0	0	0	109.5	F86 F93 F98 L99 I100 E101 Q105 N106 W107 L124 L163	F86-I103 HydrophobicContact CE2-CD1 4.16Å; F86-I103 HydrophobicContact CZ-CD1 3.88Å; F93-I103 HydrophobicContact CD1-CD1 3.59Å; F93-I103 HydrophobicContact CD1-CG1 4.39Å; F93-I103 HydrophobicContact CE1-CD1 3.8Å; F93-I103 HydrophobicContact CE1-CG1 4.22Å; F98-I103 HydrophobicContact CB-CG1 4.08Å; L99-I103 WeakPolarHBondContact O-CG1 3.48Å; L99-I103 PolarHBondContact O-N 3.05Å; I100-I103 PolarHBondContact O-N 3.38Å; E101-I103 VanDerWaalsContact C-N 3.33Å; E101-I103 PolarHBondContact O-N 3.34Å; I103-Q105 PolarHBondContact O-N 2.99Å; I103-N106 PolarHBondContact O-N 3.38Å; I103-W107 HydrophobicContact CB-CD2 4.46Å; I103-W107 HydrophobicContact CG1-CH2 4.38Å; I103-W107 HydrophobicContact CG1-CZ2 4.2Å; I103-W107 HydrophobicContact CG2-CD2 3.88Å; I103-W107 HydrophobicContact CG2-CE3 3.77Å; I103-W107 HydrophobicContact CG2-CG 4.25Å; I103-W107 HydrophobicContact CG2-CZ3 4.17Å; I103-W107 WeakPolarHBondContact O-CB 3.46Å; I103-W107 PolarHBondContact O-N 2.93Å; I103-L124 HydrophobicContact CD1-CD2 4.31Å; I103-L124 HydrophobicContact CG2-CD1 4.17Å; I103-L163 HydrophobicContact CG2-CD2 3.9Å
104	L	96.5	Very high	93.1	Very high	15 Å²	15	63.2 Å²	63.2	8%	0.079	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-29.4	-175.3	-66.7	177.7	0	0	0	113.1	I100 E101 R156 R159 A160 L163	I100-L104 HydrophobicContact CG1-CD1 3.92Å; I100-L104 HydrophobicContact CG1-CG 4.22Å; I100-L104 VanDerWaalsContact O-CG 3.25Å; I100-L104 WeakPolarHBondContact O-CG 3.34Å; I100-L104 PolarHBondContact O-N 3.12Å; E101-L104 PolarHBondContact O-N 3.5Å; L104-R156 HydrophobicContact CD1-CB 4.18Å; L104-R156 HydrophobicContact CD1-CG 4.16Å; L104-R159 HydrophobicContact CD1-CB 3.88Å; L104-R159 HydrophobicContact CD2-CB 4.01Å; L104-R159 HydrophobicContact CG-CB 4.45Å; L104-A160 HydrophobicContact CD2-CB 4Å; L104-L163 HydrophobicContact CD2-CD2 4.18Å
105	Q	94.9	Very high	93.3	Very high	136 Å²	136	59.4 Å²	59.4	64%	0.636	31%	0.311	S	S	*	.	H	α-helix	trans	-89.1	-39.1	179.8	-175	54.7	80.2	0	0	113.1	E101 I103	E101-Q105 WeakPolarHBondContact O-CB 3.35Å; E101-Q105 PolarHBondContact O-N 3.44Å; I103-Q105 PolarHBondContact O-N 2.99Å
106	N	94.9	Very high	93.6	Very high	107 Å²	107	63 Å²	63	57%	0.572	32%	0.321	S	S	*	.	H	α-helix	trans	-101.5	-19.1	-169.5	-57.2	-64.7	0	0	0	114.4	D102 I103	D102-N106 WeakPolarHBondContact O-CB 3.22Å; D102-N106 PolarHBondContact O-N 2.95Å; D102-N106 PolarHBondContact O-ND2 3.33Å; I103-N106 PolarHBondContact O-N 3.38Å
107	W	95.1	Very high	94.3	Very high	8 Å²	8	59.8 Å²	59.8	3%	0.03	30%	0.304	C	S	.	.	S	Bend	trans	-99.3	-3.9	-174.4	-60.1	16.4	0	0	0	113.7	F93 F98 I103 D109 N110 L113 L114 N117 Y120 L163	F93-W107 AromaticContact CE1-CH2 3.9Å; F93-W107 HydrophobicContact CE1-CH2 3.9Å; F93-W107 HydrophobicContact CE1-CZ2 4.26Å; F93-W107 AromaticContact CZ-CH2 3.86Å; F93-W107 HydrophobicContact CZ-CH2 3.86Å; F93-W107 HydrophobicContact CZ-CZ2 4.49Å; F98-W107 AromaticContact CD2-CZ2 3.87Å; F98-W107 HydrophobicContact CD2-CZ2 3.87Å; F98-W107 HydrophobicContact CE2-CZ2 4.15Å; F98-W107 HydrophobicContact CG-CZ2 4.29Å; I103-W107 HydrophobicContact CB-CD2 4.46Å; I103-W107 HydrophobicContact CG1-CH2 4.38Å; I103-W107 HydrophobicContact CG1-CZ2 4.2Å; I103-W107 HydrophobicContact CG2-CD2 3.88Å; I103-W107 HydrophobicContact CG2-CE3 3.77Å; I103-W107 HydrophobicContact CG2-CG 4.25Å; I103-W107 HydrophobicContact CG2-CZ3 4.17Å; I103-W107 WeakPolarHBondContact O-CB 3.46Å; I103-W107 PolarHBondContact O-N 2.93Å; W107-D109 VanDerWaalsContact C-N 3.25Å; W107-D109 PolarHBondContact O-N 3.24Å; W107-D109 VanDerWaalsContact O-N 3.07Å; W107-N110 PolarHBondContact O-N 2.8Å; W107-L113 HydrophobicContact CD2-CD2 3.75Å; W107-L113 HydrophobicContact CD2-CG 4.28Å; W107-L113 HydrophobicContact CE3-CD2 4.36Å; W107-L113 HydrophobicContact CE3-CG 4.4Å; W107-L113 HydrophobicContact CG-CD2 3.93Å; W107-L113 HydrophobicContact CZ2-CD2 4.26Å; W107-L114 HydrophobicContact CE3-CD2 3.77Å; W107-L114 HydrophobicContact CE3-CG 4.34Å; W107-L114 HydrophobicContact CZ3-CD2 4.42Å; W107-N117 VanDerWaalsContact CH2-ND2 3.32Å; W107-N117 WeakPolarHBondContact CH2-ND2 3.46Å; W107-Y120 AromaticContact CZ3-CD1 3.72Å; W107-Y120 HydrophobicContact CZ3-CD1 3.72Å; W107-Y120 HydrophobicContact CZ3-CE1 4.38Å; W107-Y120 AromaticContact CZ3-CG 3.95Å; W107-Y120 HydrophobicContact CZ3-CG 3.95Å; W107-L163 HydrophobicContact CB-CD1 4.5Å
108	K	93	Very high	94.5	Very high	130 Å²	130	63 Å²	63	57%	0.565	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	-41.9	-171.8	-173.1	176.7	176.9	179.5	0	115	Y111 L163	K108-Y111 WeakPolarHBondContact O-CE1 3.45Å; K108-L163 HydrophobicContact CB-CD1 4.49Å
109	D	91.5	Very high	94.5	Very high	120 Å²	120	59.7 Å²	59.7	64%	0.642	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	5.9	-177.2	-51.7	-66.4	0	0	0	112.1	W107 Y111	W107-D109 VanDerWaalsContact C-N 3.25Å; W107-D109 PolarHBondContact O-N 3.24Å; W107-D109 VanDerWaalsContact O-N 3.07Å; D109-Y111 PolarHBondContact O-N 2.78Å
110	N	95.4	Very high	94.4	Very high	71 Å²	71	57.5 Å²	57.5	38%	0.38	28%	0.284	S	S	.	.			trans	-97.2	67.9	179.9	-168.3	-8.2	0	0	0	110.6	W107 D112 L113 L114	W107-N110 PolarHBondContact O-N 2.8Å; N110-D112 PolarHBondContact O-N 2.71Å; N110-L113 HydrophobicContact CB-CB 4.36Å; N110-L113 VanDerWaalsContact CG-CB 3.47Å; N110-L113 PolarHBondContact O-N 3.19Å; N110-L113 WeakPolarHBondContact OD1-CB 3.47Å; N110-L113 PolarHBondContact OD1-N 3.37Å; N110-L114 PolarHBondContact O-N 3.46Å
111	Y	95.8	Very high	94.3	Very high	38 Å²	38	57.9 Å²	57.9	15%	0.149	29%	0.286	C	S	.	.	H	α-helix	trans	-66.9	-24.3	-174.3	-54	-46.6	0	0	0	114.1	K108 D109 L114 E115 F167 N185	K108-Y111 WeakPolarHBondContact O-CE1 3.45Å; D109-Y111 PolarHBondContact O-N 2.78Å; Y111-L114 HydrophobicContact CD1-CD1 4.24Å; Y111-L114 PolarHBondContact O-N 2.74Å; Y111-E115 PolarHBondContact O-N 3.48Å; Y111-F167 HydrophobicContact CD1-CB 3.91Å; Y111-F167 HydrophobicContact CD1-CD2 4.09Å; Y111-F167 HydrophobicContact CE1-CB 4.32Å; Y111-F167 HydrophobicContact CG-CD2 4.42Å; Y111-F167 WeakPolarHBondContact O-CE2 3.49Å; Y111-N185 VanDerWaalsContact CE2-ND2 3.32Å; Y111-N185 WeakPolarHBondContact CE2-ND2 3.47Å; Y111-N185 PolarHBondContact OH-ND2 3.48Å
112	D	95.1	Very high	94.2	Very high	96 Å²	96	55.9 Å²	55.9	51%	0.513	28%	0.276	S	S	.	.	H	α-helix	trans	-76.6	-39.2	-178.5	-53.9	-27.6	0	0	0	110	N110 L114 E115 E116 R189	N110-D112 PolarHBondContact O-N 2.71Å; D112-L114 VanDerWaalsContact C-N 3.31Å; D112-L114 PolarHBondContact O-N 3.28Å; D112-E115 PolarHBondContact O-N 2.82Å; D112-E116 WeakPolarHBondContact O-CB 3.26Å; D112-E116 WeakPolarHBondContact O-CG 3.46Å; D112-E116 PolarHBondContact O-N 3.46Å; D112-R189 IonicContact OD1-NH2 2.87Å
113	L	94.6	Very high	94.2	Very high	53 Å²	53	53.2 Å²	53.2	28%	0.277	26%	0.262	S	S	.	.	H	α-helix	trans	-60.9	-37.9	167.8	176.6	61.5	0	0	0	112.5	W107 N110 N117	W107-L113 HydrophobicContact CD2-CD2 3.75Å; W107-L113 HydrophobicContact CD2-CG 4.28Å; W107-L113 HydrophobicContact CE3-CD2 4.36Å; W107-L113 HydrophobicContact CE3-CG 4.4Å; W107-L113 HydrophobicContact CG-CD2 3.93Å; W107-L113 HydrophobicContact CZ2-CD2 4.26Å; N110-L113 HydrophobicContact CB-CB 4.36Å; N110-L113 VanDerWaalsContact CG-CB 3.47Å; N110-L113 PolarHBondContact O-N 3.19Å; N110-L113 WeakPolarHBondContact OD1-CB 3.47Å; N110-L113 PolarHBondContact OD1-N 3.37Å; L113-N117 HydrophobicContact CD1-CB 4.36Å; L113-N117 WeakPolarHBondContact O-CB 3.14Å; L113-N117 PolarHBondContact O-N 3.39Å
114	L	95.5	Very high	94.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.4	-34.8	175.7	-77.6	165.2	0	0	0	112.4	W107 N110 Y111 D112 Y120 L163 M164 F167 R202	W107-L114 HydrophobicContact CE3-CD2 3.77Å; W107-L114 HydrophobicContact CE3-CG 4.34Å; W107-L114 HydrophobicContact CZ3-CD2 4.42Å; N110-L114 PolarHBondContact O-N 3.46Å; Y111-L114 HydrophobicContact CD1-CD1 4.24Å; Y111-L114 PolarHBondContact O-N 2.74Å; D112-L114 VanDerWaalsContact C-N 3.31Å; D112-L114 PolarHBondContact O-N 3.28Å; L114-Y120 HydrophobicContact CD2-CE1 3.86Å; L114-Y120 HydrophobicContact CD2-CE2 4.08Å; L114-Y120 WeakPolarHBondContact O-CE1 3.49Å; L114-Y120 PolarHBondContact O-OH 2.94Å; L114-L163 HydrophobicContact CD1-CD1 3.94Å; L114-L163 HydrophobicContact CD1-CG 4.4Å; L114-L163 HydrophobicContact CD2-CD2 4.46Å; L114-M164 HydrophobicContact CD2-SD 4.46Å; L114-F167 HydrophobicContact CB-CD2 3.6Å; L114-F167 HydrophobicContact CB-CE2 3.68Å; L114-F167 HydrophobicContact CB-CG 4.21Å; L114-F167 HydrophobicContact CB-CZ 4.31Å; L114-F167 HydrophobicContact CD1-CB 4.03Å; L114-F167 HydrophobicContact CD1-CD2 4.15Å; L114-F167 HydrophobicContact CD1-CG 4.26Å; L114-R202 PolarHBondContact O-NH1 3.27Å
115	E	95.7	Very high	94.3	Very high	18 Å²	18	52.4 Å²	52.4	8%	0.084	26%	0.258	C	S	.	.	H	α-helix	trans	-69.8	-55.8	173.7	-167.6	65.6	-134.3	0	0	110.2	Y111 D112 N117 H118 F167 N192 H196 H198 N199 R202	Y111-E115 PolarHBondContact O-N 3.48Å; D112-E115 PolarHBondContact O-N 2.82Å; E115-N117 PolarHBondContact O-N 3.5Å; E115-H118 PolarHBondContact O-CD2 2.94Å; E115-H118 VanDerWaalsContact O-CD2 3.32Å; E115-F167 HydrophobicContact CB-CE2 4.11Å; E115-F167 HydrophobicContact CB-CZ 4.33Å; E115-F167 WeakPolarHBondContact OE2-CZ 3.49Å; E115-N192 PolarHBondContact OE2-ND2 2.76Å; E115-N192 PolarHBondContact OE2-OD1 3.11Å; E115-H196 WeakPolarHBondContact OE1-CB 3.44Å; E115-H196 IonicContact OE1-CG 3.51Å; E115-H196 IonicContact OE1-ND1 3.66Å; E115-H196 PolarHBondContact OE1-ND1 3.02Å; E115-H196 IonicContact OE2-ND1 2.69Å; E115-H198 IonicContact OE1-CE1 3.49Å; E115-H198 PolarHBondContact OE1-CE1 2.8Å; E115-H198 IonicContact OE1-NE2 3.47Å; E115-H198 PolarHBondContact OE1-NE2 3.39Å; E115-N199 PolarHBondContact OE1-ND2 2.93Å; E115-N199 PolarHBondContact OE2-ND2 3.43Å; E115-R202 PolarHBondContact O-NH2 2.86Å
116	E	92.9	Very high	94.4	Very high	156 Å²	156	46 Å²	46	73%	0.729	23%	0.228	S	C	*	.	H	α-helix	trans	-64.9	-35.4	-173.6	-69.1	-179.7	176.6	0	0	114.1	D112 H118	D112-E116 WeakPolarHBondContact O-CB 3.26Å; D112-E116 WeakPolarHBondContact O-CG 3.46Å; D112-E116 PolarHBondContact O-N 3.46Å; E116-H118 PolarHBondContact O-CD2 3.03Å; E116-H118 PolarHBondContact O-N 2.95Å
117	N	91.1	Very high	94.4	Very high	15 Å²	15	41.1 Å²	41.1	8%	0.08	20%	0.201	C	C	.	.			trans	-86.4	99.8	-177	-175	-1.8	0	0	0	112.1	N96 W107 L113 E115 S119 Y120	N96-N117 PolarHBondContact ND2-OD1 3.29Å; W107-N117 VanDerWaalsContact CH2-ND2 3.32Å; W107-N117 WeakPolarHBondContact CH2-ND2 3.46Å; L113-N117 HydrophobicContact CD1-CB 4.36Å; L113-N117 WeakPolarHBondContact O-CB 3.14Å; L113-N117 PolarHBondContact O-N 3.39Å; E115-N117 PolarHBondContact O-N 3.5Å; N117-S119 VanDerWaalsContact C-N 3.3Å; N117-S119 PolarHBondContact O-N 2.99Å; N117-S119 PolarHBondContact OD1-N 2.91Å; N117-S119 PolarHBondContact OD1-OG 3.32Å; N117-Y120 HydrophobicContact CB-CD1 4.26Å; N117-Y120 WeakPolarHBondContact O-CD1 3.2Å; N117-Y120 WeakPolarHBondContact O-CE1 3.4Å
118	H	88.5	Confident	94.4	Very high	109 Å²	109	41.9 Å²	41.9	51%	0.505	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-5.2	-179.3	-66.5	-170.7	0	0	0	115.1	E115 E116 H198 R202	E115-H118 PolarHBondContact O-CD2 2.94Å; E115-H118 VanDerWaalsContact O-CD2 3.32Å; E116-H118 PolarHBondContact O-CD2 3.03Å; E116-H118 PolarHBondContact O-N 2.95Å; H118-H198 AromaticContact NE2-CE1 3.85Å; H118-H198 AromaticContact NE2-NE2 3.82Å; H118-R202 PolarHBondContact CD2-NH2 2.77Å; H118-R202 VanDerWaalsContact CD2-NH2 3.26Å
119	S	90.8	Very high	94.3	Very high	18 Å²	18	36.6 Å²	36.6	13%	0.126	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-15.7	-166.1	66.1	0	0	0	0	116	F93 N96 N117 Q122 N133	F93-S119 WeakPolarHBondContact CE2-OG 3.38Å; N96-S119 PolarHBondContact ND2-OG 3.04Å; N117-S119 VanDerWaalsContact C-N 3.3Å; N117-S119 PolarHBondContact O-N 2.99Å; N117-S119 PolarHBondContact OD1-N 2.91Å; N117-S119 PolarHBondContact OD1-OG 3.32Å; S119-Q122 PolarHBondContact O-OE1 3.36Å; S119-N133 PolarHBondContact O-ND2 3.35Å
120	Y	94.4	Very high	94.1	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	16%	0.164	C	C	.	.	S	Bend	trans	-80.9	-25.6	-177.2	72.6	-95.9	0	0	0	113.5	W107 L114 N117 Q122 W123 L124 M164 R202	W107-Y120 AromaticContact CZ3-CD1 3.72Å; W107-Y120 HydrophobicContact CZ3-CD1 3.72Å; W107-Y120 HydrophobicContact CZ3-CE1 4.38Å; W107-Y120 AromaticContact CZ3-CG 3.95Å; W107-Y120 HydrophobicContact CZ3-CG 3.95Å; L114-Y120 HydrophobicContact CD2-CE1 3.86Å; L114-Y120 HydrophobicContact CD2-CE2 4.08Å; L114-Y120 WeakPolarHBondContact O-CE1 3.49Å; L114-Y120 PolarHBondContact O-OH 2.94Å; N117-Y120 HydrophobicContact CB-CD1 4.26Å; N117-Y120 WeakPolarHBondContact O-CD1 3.2Å; N117-Y120 WeakPolarHBondContact O-CE1 3.4Å; Y120-Q122 VanDerWaalsContact C-N 3.3Å; Y120-Q122 PolarHBondContact O-N 2.69Å; Y120-W123 WeakPolarHBondContact O-CB 3.43Å; Y120-W123 PolarHBondContact O-N 3.24Å; Y120-L124 HydrophobicContact CD2-CB 4.39Å; Y120-L124 HydrophobicContact CD2-CD1 3.57Å; Y120-L124 HydrophobicContact CD2-CG 3.93Å; Y120-L124 HydrophobicContact CE2-CD1 3.97Å; Y120-L124 PolarHBondContact O-N 3.18Å; Y120-M164 HydrophobicContact CE2-CE 4.43Å; Y120-M164 HydrophobicContact CE2-SD 3.72Å; Y120-M164 WeakPolarHBondContact OH-CE 3.32Å; Y120-M164 PolarHBondContact OH-SD 3.24Å; Y120-R202 PolarHBondContact OH-NH1 3.23Å
121	I	95.3	Very high	93.8	Very high	9 Å²	9	30 Å²	30	5%	0.046	15%	0.152	C	C	.	.	H	α-helix	trans	-69	-28.4	-163.3	-166.3	71.5	0	0	0	112.7	W123 F125 M164 R202 I206	I121-W123 VanDerWaalsContact C-N 3.32Å; I121-F125 HydrophobicContact CD1-CD2 3.77Å; I121-F125 HydrophobicContact CD1-CE2 4.2Å; I121-F125 PolarHBondContact O-N 2.83Å; I121-F125 VanDerWaalsContact O-N 3.14Å; I121-M164 HydrophobicContact CD1-CE 3.92Å; I121-M164 HydrophobicContact CD1-SD 4.24Å; I121-R202 HydrophobicContact CD1-CB 4.11Å; I121-R202 HydrophobicContact CD1-CG 4.44Å; I121-R202 HydrophobicContact CG1-CB 4.04Å; I121-R202 HydrophobicContact CG1-CG 4.07Å; I121-I206 HydrophobicContact CD1-CD1 4.41Å; I121-I206 HydrophobicContact CD1-CG1 4.5Å
122	Q	94.9	Very high	93.4	Very high	12 Å²	12	32.9 Å²	32.9	6%	0.056	17%	0.173	C	C	.	.	H	α-helix	trans	-71.4	-29.1	175.2	-59.3	77.3	11.5	0	0	112.2	S119 Y120 F125 P126 N133 A136 R205	S119-Q122 PolarHBondContact O-OE1 3.36Å; Y120-Q122 VanDerWaalsContact C-N 3.3Å; Y120-Q122 PolarHBondContact O-N 2.69Å; Q122-F125 CarbonylContact O-C 3.54Å; Q122-P126 WeakPolarHBondContact O-CA 3.29Å; Q122-N133 HydrophobicContact CB-CB 4.28Å; Q122-N133 HydrophobicContact CG-CB 3.98Å; Q122-A136 HydrophobicContact CB-CB 3.48Å; Q122-A136 VanDerWaalsContact CB-CB 3.48Å; Q122-R205 PolarHBondContact O-NH2 2.92Å
123	W	96.1	Very high	93.2	Very high	4 Å²	4	29 Å²	29	2%	0.015	15%	0.152	C	C	.	.	H	α-helix	trans	-84.3	-40.9	177.5	-69.4	97.6	0	0	0	112.8	C82 F86 Y87 I91 F93 Q94 Y120 I121 F125 N133 H135 A136	C82-W123 HydrophobicContact CB-CH2 4.49Å; C82-W123 HydrophobicContact CB-CZ3 4.4Å; F86-W123 HydrophobicContact CB-CE3 3.84Å; F86-W123 HydrophobicContact CB-CZ3 3.95Å; F86-W123 HydrophobicContact CD1-CB 4.1Å; F86-W123 HydrophobicContact CD1-CE3 4.06Å; F86-W123 HydrophobicContact CD2-CE3 4.44Å; F86-W123 HydrophobicContact CE1-CB 3.81Å; F86-W123 WeakPolarHBondContact CE1-O 3.33Å; F86-W123 AromaticContact CG-CE3 3.85Å; F86-W123 HydrophobicContact CG-CE3 3.85Å; F86-W123 HydrophobicContact CG-CZ3 4.42Å; F86-W123 HydrophobicContact CZ-CB 4.19Å; Y87-W123 WeakPolarHBondContact CE2-O 3.38Å; I91-W123 HydrophobicContact CD1-CH2 4.46Å; I91-W123 HydrophobicContact CD1-CZ3 4.29Å; F93-W123 HydrophobicContact CB-CB 4.02Å; F93-W123 HydrophobicContact CB-CD2 3.82Å; F93-W123 HydrophobicContact CB-CE3 4.45Å; F93-W123 HydrophobicContact CB-CG 3.62Å; F93-W123 AromaticContact CD2-CD1 3.88Å; F93-W123 HydrophobicContact CG-CG 4.49Å; Q94-W123 HydrophobicContact CB-CZ2 4.13Å; Q94-W123 PolarHBondContact O-NE1 2.9Å; Y120-W123 WeakPolarHBondContact O-CB 3.43Å; Y120-W123 PolarHBondContact O-N 3.24Å; I121-W123 VanDerWaalsContact C-N 3.32Å; W123-F125 VanDerWaalsContact C-N 3.26Å; W123-F125 PolarHBondContact O-N 3.25Å; W123-N133 PolarHBondContact NE1-ND2 3.45Å; W123-H135 HydrophobicContact CZ2-CB 4.16Å; W123-H135 WeakPolarHBondContact CZ2-O 3.21Å; W123-A136 HydrophobicContact CD2-CB 4.07Å; W123-A136 HydrophobicContact CG-CB 4.07Å; W123-A136 HydrophobicContact CZ2-CB 4.46Å
124	L	96.9	Very high	92.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-72.9	-16.9	174.6	-70.8	-167.6	0	0	0	113.5	F86 Y87 I100 I103 Y120 A160 L163	F86-L124 HydrophobicContact CE1-CD2 4.04Å; F86-L124 HydrophobicContact CZ-CD2 3.97Å; Y87-L124 PolarHBondContact OH-O 3.34Å; I100-L124 HydrophobicContact CD1-CD2 4.38Å; I100-L124 HydrophobicContact CG1-CD2 4.25Å; I103-L124 HydrophobicContact CD1-CD2 4.31Å; I103-L124 HydrophobicContact CG2-CD1 4.17Å; Y120-L124 HydrophobicContact CD2-CB 4.39Å; Y120-L124 HydrophobicContact CD2-CD1 3.57Å; Y120-L124 HydrophobicContact CD2-CG 3.93Å; Y120-L124 HydrophobicContact CE2-CD1 3.97Å; Y120-L124 PolarHBondContact O-N 3.18Å; L124-A160 HydrophobicContact CB-CB 4.46Å; L124-A160 HydrophobicContact CD1-CB 4.43Å; L124-A160 HydrophobicContact CD2-CB 4.19Å; L124-L163 HydrophobicContact CD1-CD2 3.99Å
125	F	97.8	Very high	92.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-143.1	77.5	177	-61.9	-81.2	0	0	0	108.9	I121 Q122 W123 L157 A160 M164 R205 I206	I121-F125 HydrophobicContact CD1-CD2 3.77Å; I121-F125 HydrophobicContact CD1-CE2 4.2Å; I121-F125 PolarHBondContact O-N 2.83Å; I121-F125 VanDerWaalsContact O-N 3.14Å; Q122-F125 CarbonylContact O-C 3.54Å; W123-F125 VanDerWaalsContact C-N 3.26Å; W123-F125 PolarHBondContact O-N 3.25Å; F125-L157 HydrophobicContact CD1-CD1 4.39Å; F125-L157 HydrophobicContact CE1-CD1 4.3Å; F125-A160 HydrophobicContact CZ-CB 4.14Å; F125-M164 HydrophobicContact CE2-CG 3.54Å; F125-M164 HydrophobicContact CZ-CG 3.91Å; F125-R205 HydrophobicContact CB-CG 4.15Å; F125-R205 PolarHBondContact O-NE 3.03Å; F125-R205 PolarHBondContact O-NH2 3.37Å; F125-I206 HydrophobicContact CD1-CB 4.11Å; F125-I206 HydrophobicContact CD1-CG1 3.79Å; F125-I206 HydrophobicContact CD1-CG2 4.16Å; F125-I206 HydrophobicContact CD2-CD1 4.43Å; F125-I206 HydrophobicContact CD2-CG1 3.58Å; F125-I206 HydrophobicContact CE1-CB 4.26Å; F125-I206 HydrophobicContact CE1-CG1 3.87Å; F125-I206 HydrophobicContact CE1-CG2 3.89Å; F125-I206 HydrophobicContact CE2-CD1 4.2Å; F125-I206 HydrophobicContact CE2-CG1 3.68Å; F125-I206 HydrophobicContact CG-CB 4.34Å; F125-I206 HydrophobicContact CG-CG1 3.65Å; F125-I206 HydrophobicContact CZ-CD1 4.4Å; F125-I206 HydrophobicContact CZ-CG1 3.81Å; F125-I206 HydrophobicContact CZ-CG2 4.36Å
126	P	96.5	Very high	92.2	Very high	1 Å²	1	40 Å²	40	1%	0.006	19%	0.194	C	C	.	.			trans	-70.2	151.9	177.9	31.5	-35	0	0	0	110.7	N83 Q122 L139 F147 S209 L213	N83-P126 HydrophobicContact CB-CB 4.27Å; N83-P126 HydrophobicContact CB-CG 4.43Å; Q122-P126 WeakPolarHBondContact O-CA 3.29Å; P126-L139 HydrophobicContact CB-CB 4.3Å; P126-L139 HydrophobicContact CB-CD1 4.08Å; P126-L139 HydrophobicContact CG-CD1 4.12Å; P126-F147 HydrophobicContact CG-CE1 4.27Å; P126-F147 HydrophobicContact CG-CZ 4.23Å; P126-S209 WeakPolarHBondContact O-CB 3.35Å; P126-S209 PolarHBondContact O-OG 3.34Å; P126-L213 HydrophobicContact CG-CD1 4.24Å
127	L	95.7	Very high	92.2	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	18%	0.176	C	C	.	.			trans	-139.4	156.8	178.3	-61.9	-177.3	0	0	0	108.7	E129 L139 R205 K208 S209 E212	L127-E129 HydrophobicContact CB-CB 4.38Å; L127-E129 PolarHBondContact O-N 2.96Å; L127-E129 VanDerWaalsContact O-N 3.17Å; L127-L139 WeakPolarHBondContact O-CB 3.43Å; L127-L139 PolarHBondContact O-N 3.41Å; L127-R205 HydrophobicContact CD1-CG 3.85Å; L127-R205 HydrophobicContact CG-CG 4.07Å; L127-K208 HydrophobicContact CD1-CB 4.1Å; L127-K208 HydrophobicContact CD1-CD 4.1Å; L127-K208 HydrophobicContact CD2-CB 3.52Å; L127-S209 VanDerWaalsContact CD2-CA 3.5Å; L127-S209 VanDerWaalsContact CD2-N 3.29Å; L127-E212 WeakPolarHBondContact CA-OE2 3.32Å; L127-E212 WeakPolarHBondContact CD2-OE1 3.23Å
128	R	94.1	Very high	92.3	Very high	24 Å²	24	37.9 Å²	37.9	9%	0.091	19%	0.186	C	C	.	.	S	Bend	trans	-60.7	-18.5	167.4	-58.3	-170.5	70.6	-129.1	-4.9	113.1	N68 Y69 L72 D74 P138 L139 E212	N68-R128 PolarHBondContact O-NH1 3.26Å; Y69-R128 HydrophobicContact CD2-CB 3.84Å; Y69-R128 HydrophobicContact CD2-CG 4.3Å; Y69-R128 HydrophobicContact CE2-CB 3.84Å; Y69-R128 HydrophobicContact CE2-CG 4.27Å; Y69-R128 PolarHBondContact O-NH1 3.29Å; L72-R128 HydrophobicContact CD1-CB 4.22Å; L72-R128 WeakPolarHBondContact CD1-O 3.22Å; L72-R128 PolarHBondContact O-NH1 3.04Å; L72-R128 PolarHBondContact O-NH2 3.12Å; D74-R128 IonicContact OD1-CZ 2.73Å; D74-R128 IonicContact OD1-NE 2.74Å; D74-R128 PolarHBondContact OD1-NE 3.18Å; D74-R128 IonicContact OD1-NH2 2.71Å; D74-R128 PolarHBondContact OD1-NH2 3.19Å; R128-P138 WeakPolarHBondContact O-CB 3.38Å; R128-L139 WeakPolarHBondContact CA-O 3.39Å; R128-L139 WeakPolarHBondContact CG-O 3.17Å; R128-E212 PolarHBondContact N-OE2 3.36Å
129	E	91.7	Very high	92.6	Very high	20 Å²	20	32.9 Å²	32.9	9%	0.093	16%	0.163	C	C	.	.	S	Bend	trans	-83.8	138	175.6	-69.4	179.4	144.3	0	0	113.6	R64 Y69 L72 L127 K208	R64-E129 IonicContact CZ-OE1 3.23Å; R64-E129 IonicContact NH1-OE1 2.63Å; R64-E129 PolarHBondContact NH1-OE1 2.83Å; Y69-E129 HydrophobicContact CD1-CG 3.89Å; Y69-E129 HydrophobicContact CE1-CG 3.42Å; Y69-E129 VanDerWaalsContact CE1-CG 3.42Å; Y69-E129 VanDerWaalsContact CE1-OE1 3.25Å; Y69-E129 WeakPolarHBondContact CE1-OE1 3.47Å; L72-E129 HydrophobicContact CD1-CG 4.05Å; L127-E129 HydrophobicContact CB-CB 4.38Å; L127-E129 PolarHBondContact O-N 2.96Å; L127-E129 VanDerWaalsContact O-N 3.17Å; E129-K208 IonicContact OE1-NZ 2.7Å; E129-K208 PolarHBondContact OE1-NZ 3Å; E129-K208 IonicContact OE2-NZ 3.73Å; E129-K208 PolarHBondContact OE2-NZ 3Å
130	P	88.1	Confident	92.7	Very high	41 Å²	41	32.7 Å²	32.7	27%	0.266	16%	0.162	S	C	.	.			trans	-60.2	144.4	171.7	27.2	-34.4	0	0	0	111.4	P138 C400	P130-P138 HydrophobicContact CB-CG 4.3Å; P130-C400 HydrophobicContact CG-CB 4.16Å; P130-C400 WeakPolarHBondContact CG-O 3.46Å
131	G	87.6	Confident	92.6	Very high	12 Å²	12	36.8 Å²	36.8	12%	0.124	18%	0.183	C	C	.	.			trans	-120.9	166.5	176	0	0	0	0	0	111.9	N133	G131-N133 CarbonylContact O-C 3.46Å; G131-N133 PolarHBondContact O-N 3.46Å
132	V	88.2	Confident	92.5	Very high	97 Å²	97	42.4 Å²	42.4	59%	0.588	21%	0.207	S	C	*	.	S	Bend	trans	-61.9	-8.9	-178.4	-60.5	0	0	0	0	115.4
133	N	90.1	Very high	92.5	Very high	14 Å²	14	42 Å²	42	8%	0.075	21%	0.205	C	C	.	.			trans	-99.3	94.8	167.7	-176.7	-2.6	0	0	0	109.4	Q94 S119 Q122 W123 G131 H135 A136	Q94-N133 PolarHBondContact O-ND2 3.27Å; S119-N133 PolarHBondContact O-ND2 3.35Å; Q122-N133 HydrophobicContact CB-CB 4.28Å; Q122-N133 HydrophobicContact CG-CB 3.98Å; W123-N133 PolarHBondContact NE1-ND2 3.45Å; G131-N133 CarbonylContact O-C 3.46Å; G131-N133 PolarHBondContact O-N 3.46Å; N133-H135 PolarHBondContact O-N 3.19Å; N133-H135 WeakPolarHBondContact OD1-CB 3.32Å; N133-H135 PolarHBondContact OD1-CD2 3.42Å; N133-H135 PolarHBondContact OD1-N 2.91Å; N133-A136 HydrophobicContact CB-CB 4.44Å; N133-A136 WeakPolarHBondContact O-CB 3.48Å; N133-A136 PolarHBondContact O-N 3.16Å
134	W	86.3	Confident	92.5	Very high	205 Å²	205	42.4 Å²	42.4	78%	0.777	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.8	-178.7	-55.1	96.2	0	0	0	115
135	H	89.4	Confident	92.4	Very high	92 Å²	92	48.4 Å²	48.4	43%	0.426	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-27.5	173.6	-61	-99.9	0	0	0	112.7	Q94 W123 N133 K137	Q94-H135 HydrophobicContact CB-CB 3.6Å; Q94-H135 PolarHBondContact OE1-ND1 3.14Å; W123-H135 HydrophobicContact CZ2-CB 4.16Å; W123-H135 WeakPolarHBondContact CZ2-O 3.21Å; N133-H135 PolarHBondContact O-N 3.19Å; N133-H135 WeakPolarHBondContact OD1-CB 3.32Å; N133-H135 PolarHBondContact OD1-CD2 3.42Å; N133-H135 PolarHBondContact OD1-N 2.91Å; H135-K137 PolarHBondContact O-N 2.81Å; H135-K137 VanDerWaalsContact O-N 3.15Å
136	A	90.8	Very high	92.3	Very high	5 Å²	5	49.7 Å²	49.7	4%	0.041	25%	0.246	C	C	.	.	S	Bend	trans	-80.5	92.4	175.4	0	0	0	0	0	108.8	Q122 W123 N133	Q122-A136 HydrophobicContact CB-CB 3.48Å; Q122-A136 VanDerWaalsContact CB-CB 3.48Å; W123-A136 HydrophobicContact CD2-CB 4.07Å; W123-A136 HydrophobicContact CG-CB 4.07Å; W123-A136 HydrophobicContact CZ2-CB 4.46Å; N133-A136 HydrophobicContact CB-CB 4.44Å; N133-A136 WeakPolarHBondContact O-CB 3.48Å; N133-A136 PolarHBondContact O-N 3.16Å
137	K	91.7	Very high	92.4	Very high	82 Å²	82	49.7 Å²	49.7	36%	0.357	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-56.8	142	-178.5	-67.7	-172.4	177.2	-176.6	0	111.3	D80 C82 N83 H135 L139	D80-K137 IonicContact OD2-NZ 2.72Å; D80-K137 PolarHBondContact OD2-NZ 2.88Å; C82-K137 HydrophobicContact CB-CD 4.25Å; N83-K137 PolarHBondContact ND2-O 3.24Å; N83-K137 PolarHBondContact OD1-O 3.32Å; H135-K137 PolarHBondContact O-N 2.81Å; H135-K137 VanDerWaalsContact O-N 3.15Å; K137-L139 PolarHBondContact O-N 2.89Å
138	P	93.7	Very high	92.4	Very high	46 Å²	46	53.2 Å²	53.2	30%	0.299	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-51.2	140	169.2	-23.5	33	0	0	0	111.3	R128 P130	R128-P138 WeakPolarHBondContact O-CB 3.38Å; P130-P138 HydrophobicContact CB-CG 4.3Å
139	L	93.9	Very high	92.6	Very high	3 Å²	3	57 Å²	57	2%	0.016	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-68.4	131.8	179.9	-171.6	69.2	0	0	0	109.9	N83 P126 L127 R128 K137 E143 V144 F147 L213	N83-L139 HydrophobicContact CB-CD1 4.07Å; P126-L139 HydrophobicContact CB-CB 4.3Å; P126-L139 HydrophobicContact CB-CD1 4.08Å; P126-L139 HydrophobicContact CG-CD1 4.12Å; L127-L139 WeakPolarHBondContact O-CB 3.43Å; L127-L139 PolarHBondContact O-N 3.41Å; R128-L139 WeakPolarHBondContact CA-O 3.39Å; R128-L139 WeakPolarHBondContact CG-O 3.17Å; K137-L139 PolarHBondContact O-N 2.89Å; L139-E143 HydrophobicContact CD1-CB 3.57Å; L139-E143 HydrophobicContact CG-CB 4.33Å; L139-V144 HydrophobicContact CD2-CG2 3.5Å; L139-V144 VanDerWaalsContact CD2-CG2 3.5Å; L139-V144 HydrophobicContact CG-CG2 3.9Å; L139-F147 HydrophobicContact CD1-CE2 4.26Å; L139-L213 HydrophobicContact CD2-CD2 3.74Å; L139-L213 HydrophobicContact CD2-CG 4.47Å
140	T	93.2	Very high	92.8	Very high	15 Å²	15	57.7 Å²	57.7	9%	0.092	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-88.2	156.1	172.7	58.8	0	0	0	0	111.4	D74 K142 E143 V144	D74-T140 HydrophobicContact CB-CG2 4.41Å; D74-T140 WeakPolarHBondContact OD2-CA 3.4Å; D74-T140 WeakPolarHBondContact OD2-CB 3.48Å; T140-K142 PolarHBondContact O-N 3.18Å; T140-E143 PolarHBondContact N-OE2 2.89Å; T140-E143 WeakPolarHBondContact O-CA 3.04Å; T140-E143 WeakPolarHBondContact O-CB 3.43Å; T140-E143 PolarHBondContact O-N 3.16Å; T140-E143 WeakPolarHBondContact OG1-CB 3.4Å; T140-E143 VanDerWaalsContact OG1-CG 3.31Å; T140-E143 WeakPolarHBondContact OG1-CG 3.5Å; T140-E143 PolarHBondContact OG1-N 2.96Å; T140-E143 VanDerWaalsContact OG1-N 3.12Å; T140-V144 PolarHBondContact O-N 3.39Å
141	L	92.8	Very high	93.3	Very high	87 Å²	87	64.6 Å²	64.6	46%	0.455	33%	0.325	S	S	.	.	H	α-helix	trans	-56.7	-38	171	-65.6	172.6	0	0	0	111.2	D74 E143 V144 E145	D74-L141 WeakPolarHBondContact OD2-CB 3.49Å; D74-L141 PolarHBondContact OD2-N 3.32Å; L141-E143 VanDerWaalsContact C-N 3.32Å; L141-E143 PolarHBondContact O-N 3.25Å; L141-V144 WeakPolarHBondContact O-CB 3.41Å; L141-V144 PolarHBondContact O-N 3.3Å; L141-V144 VanDerWaalsContact O-N 3.12Å; L141-E145 WeakPolarHBondContact O-CG 3.28Å; L141-E145 PolarHBondContact O-N 3.41Å
142	K	93.5	Very high	93.7	Very high	126 Å²	126	68.9 Å²	68.9	55%	0.548	34%	0.342	S	S	.	.	H	α-helix	trans	-65.1	-32.8	175.5	-160.5	-175.2	175.9	-174.4	0	112.7	M81 T140 A146	M81-K142 HydrophobicContact CE-CB 4.14Å; M81-K142 HydrophobicContact CE-CD 3.47Å; M81-K142 VanDerWaalsContact CE-CD 3.47Å; M81-K142 HydrophobicContact CE-CG 3.5Å; M81-K142 VanDerWaalsContact CE-CG 3.5Å; T140-K142 PolarHBondContact O-N 3.18Å; K142-A146 WeakPolarHBondContact O-CB 3.43Å; K142-A146 PolarHBondContact O-N 2.75Å
143	E	95	Very high	94.2	Very high	4 Å²	4	64.3 Å²	64.3	2%	0.019	31%	0.314	C	S	.	.	H	α-helix	trans	-71.5	-42.5	168.1	-76.3	179.3	128.7	0	0	111.7	M81 C82 N83 L84 L139 T140 L141 E145 A146 F147	M81-E143 WeakPolarHBondContact CA-OE1 3.39Å; M81-E143 HydrophobicContact CB-CG 3.92Å; M81-E143 HydrophobicContact CG-CG 3.94Å; C82-E143 PolarHBondContact N-OE1 3.04Å; N83-E143 WeakPolarHBondContact CA-OE1 3.29Å; N83-E143 VanDerWaalsContact CB-OE1 3.24Å; N83-E143 WeakPolarHBondContact CB-OE1 3.28Å; N83-E143 PolarHBondContact N-OE1 2.79Å; N83-E143 PolarHBondContact ND2-OE2 3.19Å; L84-E143 HydrophobicContact CB-CG 4.44Å; L84-E143 PolarHBondContact N-OE1 3.43Å; L139-E143 HydrophobicContact CD1-CB 3.57Å; L139-E143 HydrophobicContact CG-CB 4.33Å; T140-E143 PolarHBondContact N-OE2 2.89Å; T140-E143 WeakPolarHBondContact O-CA 3.04Å; T140-E143 WeakPolarHBondContact O-CB 3.43Å; T140-E143 PolarHBondContact O-N 3.16Å; T140-E143 WeakPolarHBondContact OG1-CB 3.4Å; T140-E143 VanDerWaalsContact OG1-CG 3.31Å; T140-E143 WeakPolarHBondContact OG1-CG 3.5Å; T140-E143 PolarHBondContact OG1-N 2.96Å; T140-E143 VanDerWaalsContact OG1-N 3.12Å; L141-E143 VanDerWaalsContact C-N 3.32Å; L141-E143 PolarHBondContact O-N 3.25Å; E143-E145 VanDerWaalsContact C-N 3.27Å; E143-E145 PolarHBondContact O-N 3.48Å; E143-A146 PolarHBondContact O-N 3.29Å; E143-A146 VanDerWaalsContact O-N 3.08Å; E143-F147 HydrophobicContact CB-CD2 4.43Å; E143-F147 HydrophobicContact CB-CE2 4.46Å; E143-F147 WeakPolarHBondContact O-CD2 3.21Å; E143-F147 PolarHBondContact O-N 2.82Å
144	V	95.4	Very high	94.5	Very high	13 Å²	13	68 Å²	68	8%	0.079	33%	0.327	C	S	.	.	H	α-helix	trans	-53.2	-45.2	175.5	172.5	0	0	0	0	111.3	L139 T140 L141 K148 E212	L139-V144 HydrophobicContact CD2-CG2 3.5Å; L139-V144 VanDerWaalsContact CD2-CG2 3.5Å; L139-V144 HydrophobicContact CG-CG2 3.9Å; T140-V144 PolarHBondContact O-N 3.39Å; L141-V144 WeakPolarHBondContact O-CB 3.41Å; L141-V144 PolarHBondContact O-N 3.3Å; L141-V144 VanDerWaalsContact O-N 3.12Å; V144-K148 HydrophobicContact CG1-CD 3.98Å; V144-K148 WeakPolarHBondContact O-CB 3.18Å; V144-K148 WeakPolarHBondContact O-CG 3.05Å; V144-K148 PolarHBondContact O-N 3.02Å; V144-E212 WeakPolarHBondContact CG1-O 3.35Å
145	E	95.6	Very high	95.1	Very high	126 Å²	126	61.9 Å²	61.9	59%	0.589	31%	0.307	S	S	*	.	H	α-helix	trans	-62.9	-44.9	175.7	-70.9	174.6	176.7	0	0	112.5	L141 E143 K148 S149	L141-E145 WeakPolarHBondContact O-CG 3.28Å; L141-E145 PolarHBondContact O-N 3.41Å; E143-E145 VanDerWaalsContact C-N 3.27Å; E143-E145 PolarHBondContact O-N 3.48Å; E145-K148 PolarHBondContact O-N 2.9Å; E145-S149 WeakPolarHBondContact O-CB 3.45Å; E145-S149 PolarHBondContact O-N 2.93Å; E145-S149 PolarHBondContact O-OG 3.07Å
146	A	96.1	Very high	95.5	Very high	26 Å²	26	58.7 Å²	58.7	22%	0.215	29%	0.291	C	S	.	.	H	α-helix	trans	-66.1	-39	179	0	0	0	0	0	112.4	L84 K142 E143 S149 S150	L84-A146 HydrophobicContact CD1-CB 3.93Å; L84-A146 HydrophobicContact CD2-CB 3.71Å; L84-A146 HydrophobicContact CG-CB 4.45Å; K142-A146 WeakPolarHBondContact O-CB 3.43Å; K142-A146 PolarHBondContact O-N 2.75Å; E143-A146 PolarHBondContact O-N 3.29Å; E143-A146 VanDerWaalsContact O-N 3.08Å; A146-S149 PolarHBondContact O-N 3.45Å; A146-S150 WeakPolarHBondContact O-CB 3.19Å; A146-S150 PolarHBondContact O-N 3.4Å
147	F	97	Very high	95.9	Very high	1 Å²	1	58.5 Å²	58.5	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-63	-49.3	173.1	-88.9	-117.4	0	0	0	111	N83 L84 Y87 P126 L139 E143 S149 S150 V153 R154 L213	N83-F147 HydrophobicContact CB-CE2 4.17Å; N83-F147 HydrophobicContact CB-CZ 4.08Å; L84-F147 HydrophobicContact CB-CE2 4.03Å; L84-F147 HydrophobicContact CD1-CD2 3.75Å; L84-F147 HydrophobicContact CD1-CE2 3.96Å; Y87-F147 HydrophobicContact CD1-CE1 4.06Å; Y87-F147 AromaticContact CD2-CE1 3.46Å; Y87-F147 HydrophobicContact CD2-CE1 3.46Å; Y87-F147 VanDerWaalsContact CD2-CE1 3.46Å; Y87-F147 AromaticContact CD2-CZ 3.4Å; Y87-F147 HydrophobicContact CD2-CZ 3.4Å; Y87-F147 HydrophobicContact CE1-CE1 4.3Å; Y87-F147 AromaticContact CE2-CE1 3.7Å; Y87-F147 HydrophobicContact CE2-CE1 3.7Å; Y87-F147 AromaticContact CE2-CZ 3.97Å; Y87-F147 HydrophobicContact CE2-CZ 3.97Å; Y87-F147 AromaticContact CG-CE1 3.63Å; Y87-F147 HydrophobicContact CG-CE1 3.63Å; Y87-F147 AromaticContact CG-CZ 3.76Å; Y87-F147 HydrophobicContact CG-CZ 3.76Å; P126-F147 HydrophobicContact CG-CE1 4.27Å; P126-F147 HydrophobicContact CG-CZ 4.23Å; L139-F147 HydrophobicContact CD1-CE2 4.26Å; E143-F147 HydrophobicContact CB-CD2 4.43Å; E143-F147 HydrophobicContact CB-CE2 4.46Å; E143-F147 WeakPolarHBondContact O-CD2 3.21Å; E143-F147 PolarHBondContact O-N 2.82Å; F147-S149 PolarHBondContact O-N 3.41Å; F147-S150 PolarHBondContact O-N 3.33Å; F147-V153 HydrophobicContact CB-CG1 4.13Å; F147-V153 HydrophobicContact CD1-CG1 3.32Å; F147-V153 HydrophobicContact CD2-CG1 4.17Å; F147-V153 HydrophobicContact CE1-CG1 3.72Å; F147-V153 HydrophobicContact CG-CG1 3.59Å; F147-V153 HydrophobicContact CZ-CG1 4.32Å; F147-R154 VanDerWaalsContact O-CG 3.28Å; F147-R154 WeakPolarHBondContact O-CG 3.44Å; F147-L213 HydrophobicContact CB-CD2 3.75Å; F147-L213 HydrophobicContact CD1-CD1 3.93Å; F147-L213 HydrophobicContact CD1-CD2 3.7Å; F147-L213 HydrophobicContact CD1-CG 4.37Å; F147-L213 HydrophobicContact CE1-CD1 4.17Å; F147-L213 HydrophobicContact CE1-CD2 4.42Å; F147-L213 HydrophobicContact CG-CD2 3.8Å
148	K	96.9	Very high	96.2	Very high	78 Å²	78	55.1 Å²	55.1	34%	0.339	28%	0.275	S	S	.	.	H	α-helix	trans	-60.1	-35.1	178.9	-77.2	172.6	-179.7	170.9	0	112.9	V144 E145 R154 E212 L213 G214	V144-K148 HydrophobicContact CG1-CD 3.98Å; V144-K148 WeakPolarHBondContact O-CB 3.18Å; V144-K148 WeakPolarHBondContact O-CG 3.05Å; V144-K148 PolarHBondContact O-N 3.02Å; E145-K148 PolarHBondContact O-N 2.9Å; K148-R154 WeakPolarHBondContact O-CD 3.33Å; K148-R154 PolarHBondContact O-NH1 2.98Å; K148-R154 VanDerWaalsContact O-NH1 3.13Å; K148-E212 WeakPolarHBondContact CE-O 3.2Å; K148-E212 PolarHBondContact NZ-O 3.48Å; K148-L213 VanDerWaalsContact CE-C 3.5Å; K148-L213 WeakPolarHBondContact CG-O 3.37Å; K148-G214 VanDerWaalsContact CE-N 3.32Å
149	S	97	Very high	96.4	Very high	103 Å²	103	55.7 Å²	55.7	72%	0.72	27%	0.271	S	S	*	.	H	α-helix	trans	-78.7	-31	-179.6	-57.1	0	0	0	0	114	E145 A146 F147	E145-S149 WeakPolarHBondContact O-CB 3.45Å; E145-S149 PolarHBondContact O-N 2.93Å; E145-S149 PolarHBondContact O-OG 3.07Å; A146-S149 PolarHBondContact O-N 3.45Å; F147-S149 PolarHBondContact O-N 3.41Å
150	S	97.4	Very high	96.6	Very high	36 Å²	36	55.5 Å²	55.5	25%	0.252	27%	0.271	S	S	.	.			trans	-90.5	109.6	-175.2	179.3	0	0	0	0	113	A146 F147 E152 V153 R154	A146-S150 WeakPolarHBondContact O-CB 3.19Å; A146-S150 PolarHBondContact O-N 3.4Å; F147-S150 PolarHBondContact O-N 3.33Å; S150-E152 PolarHBondContact O-N 3.12Å; S150-V153 PolarHBondContact O-N 3.43Å; S150-V153 WeakPolarHBondContact OG-CG2 3.37Å; S150-V153 PolarHBondContact OG-N 3.06Å; S150-R154 WeakPolarHBondContact O-CG 3.49Å; S150-R154 PolarHBondContact O-N 2.9Å
151	K	97.1	Very high	96.9	Very high	186 Å²	186	54.9 Å²	54.9	81%	0.809	27%	0.266	S	S	*	.	H	α-helix	trans	-56.7	-37.4	174.9	-175.9	178.5	178.6	-179.4	0	112.8	R154 E155	K151-R154 PolarHBondContact O-N 3.28Å; K151-E155 PolarHBondContact O-N 3.49Å
152	E	97.5	Very high	97.1	Very high	102 Å²	102	53.8 Å²	53.8	48%	0.477	26%	0.259	S	S	.	.	H	α-helix	trans	-66.3	-46	-179.8	-171.9	-170.7	167.6	0	0	111.7	S150 R154 E155 R156	S150-E152 PolarHBondContact O-N 3.12Å; E152-R154 VanDerWaalsContact C-N 3.34Å; E152-R154 PolarHBondContact O-N 2.74Å; E152-E155 PolarHBondContact O-N 3.49Å; E152-R156 PolarHBondContact O-N 3.24Å; E152-R156 VanDerWaalsContact O-N 3.13Å; E152-R156 IonicContact OE1-CZ 3.41Å; E152-R156 IonicContact OE1-NH1 3.06Å; E152-R156 PolarHBondContact OE1-NH1 2.62Å; E152-R156 IonicContact OE1-NH2 3.99Å; E152-R156 PolarHBondContact OE1-NH2 3.49Å
153	V	97.8	Very high	97.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-42.1	176.5	169.9	0	0	0	0	110.6	L84 Y87 K88 F147 S150 R156 L157	L84-V153 HydrophobicContact CD1-CG2 4.01Å; Y87-V153 HydrophobicContact CD1-CG1 3.86Å; Y87-V153 HydrophobicContact CG-CG1 4.03Å; K88-V153 HydrophobicContact CG-CG2 4.47Å; F147-V153 HydrophobicContact CB-CG1 4.13Å; F147-V153 HydrophobicContact CD1-CG1 3.32Å; F147-V153 HydrophobicContact CD2-CG1 4.17Å; F147-V153 HydrophobicContact CE1-CG1 3.72Å; F147-V153 HydrophobicContact CG-CG1 3.59Å; F147-V153 HydrophobicContact CZ-CG1 4.32Å; S150-V153 PolarHBondContact O-N 3.43Å; S150-V153 WeakPolarHBondContact OG-CG2 3.37Å; S150-V153 PolarHBondContact OG-N 3.06Å; V153-R156 PolarHBondContact O-N 2.77Å; V153-L157 WeakPolarHBondContact O-CB 3.3Å; V153-L157 PolarHBondContact O-N 2.97Å
154	R	97.4	Very high	97.5	Very high	93 Å²	93	48 Å²	48	35%	0.351	23%	0.234	S	C	.	.	H	α-helix	trans	-64.9	-39.1	176.7	-68.9	177	74.8	174.6	2.2	113	F147 K148 S150 K151 E152 L157 V158 G214	F147-R154 VanDerWaalsContact O-CG 3.28Å; F147-R154 WeakPolarHBondContact O-CG 3.44Å; K148-R154 WeakPolarHBondContact O-CD 3.33Å; K148-R154 PolarHBondContact O-NH1 2.98Å; K148-R154 VanDerWaalsContact O-NH1 3.13Å; S150-R154 WeakPolarHBondContact O-CG 3.49Å; S150-R154 PolarHBondContact O-N 2.9Å; K151-R154 PolarHBondContact O-N 3.28Å; E152-R154 VanDerWaalsContact C-N 3.34Å; E152-R154 PolarHBondContact O-N 2.74Å; R154-L157 PolarHBondContact O-N 2.8Å; R154-V158 WeakPolarHBondContact O-CG2 3.42Å; R154-V158 PolarHBondContact O-N 3.41Å; R154-G214 PolarHBondContact NH2-O 3.46Å
155	E	98.1	Very high	97.6	Very high	76 Å²	76	47.6 Å²	47.6	36%	0.355	23%	0.231	S	C	.	.	H	α-helix	trans	-64.1	-41.3	174.7	179.2	57	-144.3	0	0	111.6	K151 E152 L157 V158 R159 R175	K151-E155 PolarHBondContact O-N 3.49Å; E152-E155 PolarHBondContact O-N 3.49Å; E155-L157 VanDerWaalsContact C-N 3.33Å; E155-L157 PolarHBondContact O-N 3.37Å; E155-V158 PolarHBondContact O-N 3.29Å; E155-R159 WeakPolarHBondContact O-CG 3.44Å; E155-R159 PolarHBondContact O-N 3.3Å; E155-R175 IonicContact OE1-CZ 3.89Å; E155-R175 IonicContact OE1-NH1 2.99Å; E155-R175 PolarHBondContact OE1-NH1 2.96Å; E155-R175 IonicContact OE1-NH2 3.48Å; E155-R175 PolarHBondContact OE1-NH2 3.23Å; E155-R175 VanDerWaalsContact OE1-NH2 3.12Å; E155-R175 IonicContact OE2-NH1 3.87Å; E155-R175 PolarHBondContact OE2-NH1 2.86Å
156	R	98.1	Very high	97.7	Very high	25 Å²	25	42.3 Å²	42.3	9%	0.094	21%	0.211	C	C	.	.	H	α-helix	trans	-64.8	-35.9	173.5	-74.7	177.9	-177.9	121.9	18.3	112.8	Y87 I100 E101 L104 E152 V153 R159 A160	Y87-R156 HydrophobicContact CD1-CB 4.01Å; Y87-R156 HydrophobicContact CE1-CB 4.2Å; Y87-R156 WeakPolarHBondContact O-CD 3.29Å; Y87-R156 PolarHBondContact O-NH1 2.99Å; I100-R156 HydrophobicContact CD1-CB 4.03Å; E101-R156 IonicContact OE1-CZ 3.29Å; E101-R156 IonicContact OE1-NE 3.12Å; E101-R156 PolarHBondContact OE1-NE 2.89Å; E101-R156 IonicContact OE1-NH2 3.3Å; E101-R156 PolarHBondContact OE1-NH2 2.8Å; L104-R156 HydrophobicContact CD1-CB 4.18Å; L104-R156 HydrophobicContact CD1-CG 4.16Å; E152-R156 PolarHBondContact O-N 3.24Å; E152-R156 VanDerWaalsContact O-N 3.13Å; E152-R156 IonicContact OE1-CZ 3.41Å; E152-R156 IonicContact OE1-NH1 3.06Å; E152-R156 PolarHBondContact OE1-NH1 2.62Å; E152-R156 IonicContact OE1-NH2 3.99Å; E152-R156 PolarHBondContact OE1-NH2 3.49Å; V153-R156 PolarHBondContact O-N 2.77Å; R156-R159 PolarHBondContact O-N 3.27Å; R156-A160 WeakPolarHBondContact O-CB 3.48Å; R156-A160 PolarHBondContact O-N 3.2Å
157	L	98.1	Very high	97.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-66.6	-39.2	174.7	-178.8	60.2	0	0	0	111.8	Y87 F125 V153 R154 E155 A160 Y161 L213 L215	Y87-L157 HydrophobicContact CE1-CB 3.86Å; Y87-L157 HydrophobicContact CE1-CD1 4.35Å; Y87-L157 WeakPolarHBondContact OH-CD1 3.34Å; F125-L157 HydrophobicContact CD1-CD1 4.39Å; F125-L157 HydrophobicContact CE1-CD1 4.3Å; V153-L157 WeakPolarHBondContact O-CB 3.3Å; V153-L157 PolarHBondContact O-N 2.97Å; R154-L157 PolarHBondContact O-N 2.8Å; E155-L157 VanDerWaalsContact C-N 3.33Å; E155-L157 PolarHBondContact O-N 3.37Å; L157-A160 PolarHBondContact O-N 2.84Å; L157-Y161 WeakPolarHBondContact O-CB 3.46Å; L157-Y161 PolarHBondContact O-N 3.4Å; L157-L213 HydrophobicContact CD1-CD1 4.15Å; L157-L213 HydrophobicContact CD2-CB 3.66Å; L157-L213 HydrophobicContact CD2-CD1 3.54Å; L157-L213 HydrophobicContact CD2-CG 4.23Å; L157-L215 HydrophobicContact CB-CD1 4.36Å; L157-L215 HydrophobicContact CD2-CD1 3.49Å; L157-L215 VanDerWaalsContact CD2-CD1 3.49Å; L157-L215 HydrophobicContact CD2-CG 4.41Å; L157-L215 HydrophobicContact CG-CD1 3.73Å
158	V	98.4	Very high	97.9	Very high	10 Å²	10	41.2 Å²	41.2	6%	0.061	20%	0.201	C	C	.	.	H	α-helix	trans	-65.5	-41.3	172.1	173.4	0	0	0	0	111.3	R154 E155 A160 Y161 E162 R175 L215 Y218	R154-V158 WeakPolarHBondContact O-CG2 3.42Å; R154-V158 PolarHBondContact O-N 3.41Å; E155-V158 PolarHBondContact O-N 3.29Å; V158-A160 PolarHBondContact O-N 3.39Å; V158-Y161 WeakPolarHBondContact O-CB 3.42Å; V158-Y161 PolarHBondContact O-N 2.67Å; V158-E162 WeakPolarHBondContact O-CG 3.25Å; V158-E162 PolarHBondContact O-N 3.06Å; V158-R175 HydrophobicContact CG1-CG 4.26Å; V158-L215 HydrophobicContact CG2-CD1 4.13Å; V158-Y218 HydrophobicContact CG2-CE2 3.99Å
159	R	98.3	Very high	97.9	Very high	58 Å²	58	37.5 Å²	37.5	22%	0.219	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-37.1	174.1	-72.2	168.5	61	-151.1	-1.9	112.6	E101 L104 E155 R156 Y161 E162 L163	E101-R159 VanDerWaalsContact CD-NH1 3.26Å; E101-R159 IonicContact OE1-NH1 3.19Å; E101-R159 PolarHBondContact OE1-NH1 2.85Å; E101-R159 IonicContact OE2-CZ 3.28Å; E101-R159 IonicContact OE2-NH1 2.82Å; E101-R159 PolarHBondContact OE2-NH1 3.06Å; E101-R159 IonicContact OE2-NH2 3.86Å; E101-R159 PolarHBondContact OE2-NH2 2.94Å; L104-R159 HydrophobicContact CD1-CB 3.88Å; L104-R159 HydrophobicContact CD2-CB 4.01Å; L104-R159 HydrophobicContact CG-CB 4.45Å; E155-R159 WeakPolarHBondContact O-CG 3.44Å; E155-R159 PolarHBondContact O-N 3.3Å; R156-R159 PolarHBondContact O-N 3.27Å; R159-Y161 VanDerWaalsContact C-N 3.33Å; R159-E162 PolarHBondContact O-N 3.49Å; R159-L163 WeakPolarHBondContact O-CB 3.31Å; R159-L163 PolarHBondContact O-N 3.26Å
160	A	98.4	Very high	98	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.2	-36.5	173.6	0	0	0	0	0	111.8	L104 L124 F125 R156 L157 V158 L163 M164	L104-A160 HydrophobicContact CD2-CB 4Å; L124-A160 HydrophobicContact CB-CB 4.46Å; L124-A160 HydrophobicContact CD1-CB 4.43Å; L124-A160 HydrophobicContact CD2-CB 4.19Å; F125-A160 HydrophobicContact CZ-CB 4.14Å; R156-A160 WeakPolarHBondContact O-CB 3.48Å; R156-A160 PolarHBondContact O-N 3.2Å; L157-A160 PolarHBondContact O-N 2.84Å; V158-A160 PolarHBondContact O-N 3.39Å; A160-L163 WeakPolarHBondContact O-CB 3.45Å; A160-M164 WeakPolarHBondContact O-CG 3.03Å; A160-M164 PolarHBondContact O-N 3.38Å
161	Y	98.6	Very high	98	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-65.2	-48.2	172.6	178.4	-123.5	0	0	0	111.8	L157 V158 R159 L163 M164 L165 L172 I206 L210 Y218 L222	L157-Y161 WeakPolarHBondContact O-CB 3.46Å; L157-Y161 PolarHBondContact O-N 3.4Å; V158-Y161 WeakPolarHBondContact O-CB 3.42Å; V158-Y161 PolarHBondContact O-N 2.67Å; R159-Y161 VanDerWaalsContact C-N 3.33Å; Y161-L163 VanDerWaalsContact C-N 3.33Å; Y161-L163 PolarHBondContact O-N 2.86Å; Y161-M164 PolarHBondContact O-N 3.49Å; Y161-M164 VanDerWaalsContact O-N 3.16Å; Y161-L165 HydrophobicContact CD1-CD1 4.11Å; Y161-L165 HydrophobicContact CD2-CG 4.27Å; Y161-L165 HydrophobicContact CE1-CD1 3.65Å; Y161-L165 HydrophobicContact CE1-CG 4.3Å; Y161-L165 HydrophobicContact CE2-CD1 4.18Å; Y161-L165 HydrophobicContact CE2-CD2 3.84Å; Y161-L165 HydrophobicContact CE2-CG 3.94Å; Y161-L165 WeakPolarHBondContact O-CG 3.47Å; Y161-L165 PolarHBondContact O-N 3.4Å; Y161-L172 HydrophobicContact CD1-CD2 4.49Å; Y161-L172 HydrophobicContact CE1-CD1 4.13Å; Y161-I206 HydrophobicContact CD2-CG2 3.93Å; Y161-I206 HydrophobicContact CE2-CG2 4.14Å; Y161-L210 HydrophobicContact CD2-CD1 3.83Å; Y161-L210 HydrophobicContact CD2-CD2 4.4Å; Y161-L210 HydrophobicContact CE2-CD1 3.69Å; Y161-L210 HydrophobicContact CG-CD1 4.49Å; Y161-L210 HydrophobicContact CG-CD2 4.35Å; Y161-Y218 HydrophobicContact CD1-CD1 4.14Å; Y161-Y218 HydrophobicContact CD1-CD2 4.31Å; Y161-Y218 HydrophobicContact CD1-CE1 4.39Å; Y161-Y218 HydrophobicContact CD1-CG 4.11Å; Y161-Y218 AromaticContact CE1-CD1 3.49Å; Y161-Y218 HydrophobicContact CE1-CD1 3.49Å; Y161-Y218 VanDerWaalsContact CE1-CD1 3.49Å; Y161-Y218 HydrophobicContact CE1-CD2 4.25Å; Y161-Y218 HydrophobicContact CE1-CE1 4.09Å; Y161-Y218 AromaticContact CE1-CG 3.6Å; Y161-Y218 HydrophobicContact CE1-CG 3.6Å; Y161-L222 HydrophobicContact CE2-CD2 3.93Å
162	E	98.2	Very high	98.1	Very high	65 Å²	65	28 Å²	28	30%	0.304	13%	0.129	S	C	.	.	H	α-helix	trans	-58.8	-40.4	175.3	-72.6	173.4	159.6	0	0	112.9	V158 R159 L165 G166 L172 R175	V158-E162 WeakPolarHBondContact O-CG 3.25Å; V158-E162 PolarHBondContact O-N 3.06Å; R159-E162 PolarHBondContact O-N 3.49Å; E162-L165 PolarHBondContact O-N 3.35Å; E162-G166 PolarHBondContact O-N 2.99Å; E162-L172 HydrophobicContact CG-CB 4.41Å; E162-L172 HydrophobicContact CG-CD2 3.87Å; E162-R175 VanDerWaalsContact CD-NH2 3.25Å; E162-R175 IonicContact OE1-CZ 3.46Å; E162-R175 VanDerWaalsContact OE1-CZ 3.29Å; E162-R175 IonicContact OE1-NE 3.07Å; E162-R175 PolarHBondContact OE1-NE 3.46Å; E162-R175 IonicContact OE1-NH2 2.78Å; E162-R175 PolarHBondContact OE1-NH2 2.83Å; E162-R175 IonicContact OE2-CZ 2.6Å; E162-R175 IonicContact OE2-NE 3.87Å; E162-R175 IonicContact OE2-NH2 2.75Å; E162-R175 PolarHBondContact OE2-NH2 3.44Å
163	L	97.9	Very high	98.1	Very high	8 Å²	8	28 Å²	28	4%	0.042	13%	0.129	C	C	.	.	H	α-helix	trans	-55.8	-49.9	172.7	173.6	66.6	0	0	0	111.5	I103 L104 W107 K108 L114 L124 R159 A160 Y161 G166 F167	I103-L163 HydrophobicContact CG2-CD2 3.9Å; L104-L163 HydrophobicContact CD2-CD2 4.18Å; W107-L163 HydrophobicContact CB-CD1 4.5Å; K108-L163 HydrophobicContact CB-CD1 4.49Å; L114-L163 HydrophobicContact CD1-CD1 3.94Å; L114-L163 HydrophobicContact CD1-CG 4.4Å; L114-L163 HydrophobicContact CD2-CD2 4.46Å; L124-L163 HydrophobicContact CD1-CD2 3.99Å; R159-L163 WeakPolarHBondContact O-CB 3.31Å; R159-L163 PolarHBondContact O-N 3.26Å; A160-L163 WeakPolarHBondContact O-CB 3.45Å; Y161-L163 VanDerWaalsContact C-N 3.33Å; Y161-L163 PolarHBondContact O-N 2.86Å; L163-G166 PolarHBondContact O-N 3.37Å; L163-F167 PolarHBondContact O-N 2.79Å
164	M	98.3	Very high	98.1	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-70.4	-35.9	-180	-68	-52.5	-60.9	0	0	112.9	L114 Y120 I121 F125 A160 Y161 F167 Y168 I206	L114-M164 HydrophobicContact CD2-SD 4.46Å; Y120-M164 HydrophobicContact CE2-CE 4.43Å; Y120-M164 HydrophobicContact CE2-SD 3.72Å; Y120-M164 WeakPolarHBondContact OH-CE 3.32Å; Y120-M164 PolarHBondContact OH-SD 3.24Å; I121-M164 HydrophobicContact CD1-CE 3.92Å; I121-M164 HydrophobicContact CD1-SD 4.24Å; F125-M164 HydrophobicContact CE2-CG 3.54Å; F125-M164 HydrophobicContact CZ-CG 3.91Å; A160-M164 WeakPolarHBondContact O-CG 3.03Å; A160-M164 PolarHBondContact O-N 3.38Å; Y161-M164 PolarHBondContact O-N 3.49Å; Y161-M164 VanDerWaalsContact O-N 3.16Å; M164-F167 HydrophobicContact CE-CD1 3.53Å; M164-F167 HydrophobicContact CE-CE1 3.8Å; M164-F167 WeakPolarHBondContact O-CB 3.39Å; M164-F167 PolarHBondContact O-N 3.31Å; M164-F167 HydrophobicContact SD-CD1 4.44Å; M164-Y168 HydrophobicContact CB-CE2 4.13Å; M164-Y168 HydrophobicContact CE-CE1 4.22Å; M164-Y168 HydrophobicContact CE-CE2 4.14Å; M164-Y168 VanDerWaalsContact CE-OH 3.23Å; M164-Y168 WeakPolarHBondContact CE-OH 3.02Å; M164-Y168 WeakPolarHBondContact O-CD2 3.42Å; M164-Y168 VanDerWaalsContact O-CG 3.31Å; M164-Y168 PolarHBondContact O-N 3.32Å; M164-I206 HydrophobicContact CB-CD1 3.81Å; M164-I206 HydrophobicContact CE-CD1 4.17Å; M164-I206 HydrophobicContact CG-CD1 3.89Å
165	L	98.4	Very high	98.1	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	14%	0.139	C	C	.	.	H	α-helix	trans	-59.3	-49.2	173	-70.8	-177.7	0	0	0	111	Y161 E162 F167 Y168 G169 I170 L172 V180 L222	Y161-L165 HydrophobicContact CD1-CD1 4.11Å; Y161-L165 HydrophobicContact CD2-CG 4.27Å; Y161-L165 HydrophobicContact CE1-CD1 3.65Å; Y161-L165 HydrophobicContact CE1-CG 4.3Å; Y161-L165 HydrophobicContact CE2-CD1 4.18Å; Y161-L165 HydrophobicContact CE2-CD2 3.84Å; Y161-L165 HydrophobicContact CE2-CG 3.94Å; Y161-L165 WeakPolarHBondContact O-CG 3.47Å; Y161-L165 PolarHBondContact O-N 3.4Å; E162-L165 PolarHBondContact O-N 3.35Å; L165-F167 VanDerWaalsContact C-N 3.28Å; L165-F167 PolarHBondContact O-N 3.27Å; L165-Y168 CarbonylContact O-C 3.58Å; L165-Y168 WeakPolarHBondContact O-CA 3.46Å; L165-Y168 PolarHBondContact O-N 3.01Å; L165-G169 PolarHBondContact O-N 2.94Å; L165-G169 VanDerWaalsContact O-N 3.09Å; L165-I170 CarbonylContact C-O 3.34Å; L165-I170 HydrophobicContact CB-CB 4.13Å; L165-I170 WeakPolarHBondContact CB-O 3.47Å; L165-I170 HydrophobicContact CD2-CB 4.04Å; L165-I170 HydrophobicContact CD2-CD1 4.31Å; L165-I170 HydrophobicContact CD2-CG2 3.92Å; L165-I170 WeakPolarHBondContact O-CA 3.35Å; L165-I170 PolarHBondContact O-N 3.39Å; L165-L172 HydrophobicContact CD1-CB 3.94Å; L165-L172 HydrophobicContact CD1-CD1 4.31Å; L165-V180 HydrophobicContact CD1-CG1 3.87Å; L165-L222 HydrophobicContact CD2-CD1 3.73Å; L165-L222 HydrophobicContact CD2-CD2 4.29Å
166	G	97.5	Very high	98	Very high	16 Å²	16	32.6 Å²	32.6	17%	0.165	16%	0.157	C	C	.	.	H	α-helix	trans	-59.8	-38	179.2	0	0	0	0	0	113.2	E162 L163 G169 I170 N185	E162-G166 PolarHBondContact O-N 2.99Å; L163-G166 PolarHBondContact O-N 3.37Å; G166-G169 PolarHBondContact O-N 3.46Å; G166-G169 VanDerWaalsContact O-N 3.15Å; G166-I170 PolarHBondContact N-O 3.34Å; G166-N185 PolarHBondContact O-ND2 3.37Å; G166-N185 VanDerWaalsContact O-ND2 3.09Å
167	F	97.5	Very high	98	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.6	-35.8	172.3	166.8	-108.9	0	0	0	113.5	Y111 L114 E115 L163 M164 L165 G169 R189	Y111-F167 HydrophobicContact CD1-CB 3.91Å; Y111-F167 HydrophobicContact CD1-CD2 4.09Å; Y111-F167 HydrophobicContact CE1-CB 4.32Å; Y111-F167 HydrophobicContact CG-CD2 4.42Å; Y111-F167 WeakPolarHBondContact O-CE2 3.49Å; L114-F167 HydrophobicContact CB-CD2 3.6Å; L114-F167 HydrophobicContact CB-CE2 3.68Å; L114-F167 HydrophobicContact CB-CG 4.21Å; L114-F167 HydrophobicContact CB-CZ 4.31Å; L114-F167 HydrophobicContact CD1-CB 4.03Å; L114-F167 HydrophobicContact CD1-CD2 4.15Å; L114-F167 HydrophobicContact CD1-CG 4.26Å; E115-F167 HydrophobicContact CB-CE2 4.11Å; E115-F167 HydrophobicContact CB-CZ 4.33Å; E115-F167 WeakPolarHBondContact OE2-CZ 3.49Å; L163-F167 PolarHBondContact O-N 2.79Å; M164-F167 HydrophobicContact CE-CD1 3.53Å; M164-F167 HydrophobicContact CE-CE1 3.8Å; M164-F167 WeakPolarHBondContact O-CB 3.39Å; M164-F167 PolarHBondContact O-N 3.31Å; M164-F167 HydrophobicContact SD-CD1 4.44Å; L165-F167 VanDerWaalsContact C-N 3.28Å; L165-F167 PolarHBondContact O-N 3.27Å; F167-G169 VanDerWaalsContact C-N 3.29Å; F167-G169 PolarHBondContact O-N 3.44Å; F167-R189 WeakPolarHBondContact O-CD 3.2Å; F167-R189 WeakPolarHBondContact O-CG 3.22Å
168	Y	98.1	Very high	98	Very high	3 Å²	3	35.5 Å²	35.5	1%	0.012	18%	0.178	C	C	.	.	H	α-helix	trans	-80.7	-3.3	172.9	-60.5	-40	0	0	0	114.2	M164 L165 L193 N199 R202 I203 I206	M164-Y168 HydrophobicContact CB-CE2 4.13Å; M164-Y168 HydrophobicContact CE-CE1 4.22Å; M164-Y168 HydrophobicContact CE-CE2 4.14Å; M164-Y168 VanDerWaalsContact CE-OH 3.23Å; M164-Y168 WeakPolarHBondContact CE-OH 3.02Å; M164-Y168 WeakPolarHBondContact O-CD2 3.42Å; M164-Y168 VanDerWaalsContact O-CG 3.31Å; M164-Y168 PolarHBondContact O-N 3.32Å; L165-Y168 CarbonylContact O-C 3.58Å; L165-Y168 WeakPolarHBondContact O-CA 3.46Å; L165-Y168 PolarHBondContact O-N 3.01Å; Y168-L193 HydrophobicContact CD1-CD2 3.65Å; Y168-L193 HydrophobicContact CD1-CG 4.31Å; Y168-L193 HydrophobicContact CE1-CD2 4.1Å; Y168-L193 HydrophobicContact CG-CD2 4.43Å; Y168-N199 HydrophobicContact CE1-CB 4.2Å; Y168-R202 WeakPolarHBondContact OH-CB 3.38Å; Y168-I203 HydrophobicContact CD2-CG1 4.2Å; Y168-I203 HydrophobicContact CE1-CD1 4.34Å; Y168-I203 HydrophobicContact CE1-CG1 4.11Å; Y168-I203 HydrophobicContact CE2-CD1 4.38Å; Y168-I203 HydrophobicContact CE2-CG1 3.57Å; Y168-I206 HydrophobicContact CE2-CD1 3.76Å; Y168-I206 WeakPolarHBondContact OH-CD1 3.2Å
169	G	98	Very high	98	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	26	-176.4	0	0	0	0	0	113.8	L165 G166 F167 A183 N185 F186	L165-G169 PolarHBondContact O-N 2.94Å; L165-G169 VanDerWaalsContact O-N 3.09Å; G166-G169 PolarHBondContact O-N 3.46Å; G166-G169 VanDerWaalsContact O-N 3.15Å; F167-G169 VanDerWaalsContact C-N 3.29Å; F167-G169 PolarHBondContact O-N 3.44Å; G169-A183 PolarHBondContact O-N 3.35Å; G169-N185 WeakPolarHBondContact CA-OD1 3.43Å; G169-F186 VanDerWaalsContact O-CB 3.3Å; G169-F186 WeakPolarHBondContact O-CB 3.36Å
170	I	98.6	Very high	98	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143.3	-176.1	-48.8	178.3	0	0	0	108.3	L165 G166 V180 C181 L222 F225 F226	L165-I170 CarbonylContact C-O 3.34Å; L165-I170 HydrophobicContact CB-CB 4.13Å; L165-I170 WeakPolarHBondContact CB-O 3.47Å; L165-I170 HydrophobicContact CD2-CB 4.04Å; L165-I170 HydrophobicContact CD2-CD1 4.31Å; L165-I170 HydrophobicContact CD2-CG2 3.92Å; L165-I170 WeakPolarHBondContact O-CA 3.35Å; L165-I170 PolarHBondContact O-N 3.39Å; G166-I170 PolarHBondContact N-O 3.34Å; I170-V180 HydrophobicContact CG2-CB 3.75Å; I170-V180 HydrophobicContact CG2-CG1 4.17Å; I170-V180 HydrophobicContact CG2-CG2 4.3Å; I170-C181 CarbonylContact C-O 3.5Å; I170-C181 WeakPolarHBondContact CA-O 3.25Å; I170-C181 WeakPolarHBondContact CG2-O 3.4Å; I170-L222 HydrophobicContact CD1-CD1 3.82Å; I170-F225 HydrophobicContact CD1-CD1 3.84Å; I170-F225 HydrophobicContact CD1-CE1 3.5Å; I170-F225 HydrophobicContact CD1-CZ 4.33Å; I170-F225 HydrophobicContact CG1-CD1 4.33Å; I170-F225 HydrophobicContact CG1-CE1 3.57Å; I170-F225 HydrophobicContact CG1-CZ 3.92Å; I170-F225 HydrophobicContact CG2-CE1 4.26Å; I170-F225 HydrophobicContact CG2-CZ 4.23Å; I170-F226 HydrophobicContact CD1-CE1 4.16Å; I170-F226 HydrophobicContact CD1-CE2 4.29Å; I170-F226 HydrophobicContact CD1-CZ 3.71Å
171	Q	98.2	Very high	98	Very high	101 Å²	101	35.1 Å²	35.1	47%	0.472	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.5	174.4	179	168.1	-11.1	0	0	109.9	V180 C181 A183	Q171-V180 CarbonylContact O-C 3.04Å; Q171-V180 VanDerWaalsContact O-CA 3.22Å; Q171-V180 WeakPolarHBondContact O-CA 3.44Å; Q171-C181 PolarHBondContact N-O 3.23Å; Q171-C181 PolarHBondContact O-N 2.92Å; Q171-A183 HydrophobicContact CB-CB 4Å
172	L	98.4	Very high	98	Very high	23 Å²	23	39 Å²	39	12%	0.12	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	118.1	168.4	-167.6	61.5	0	0	0	108.8	Y161 E162 L165 R175 V180 Y218	Y161-L172 HydrophobicContact CD1-CD2 4.49Å; Y161-L172 HydrophobicContact CE1-CD1 4.13Å; E162-L172 HydrophobicContact CG-CB 4.41Å; E162-L172 HydrophobicContact CG-CD2 3.87Å; L165-L172 HydrophobicContact CD1-CB 3.94Å; L165-L172 HydrophobicContact CD1-CD1 4.31Å; L172-R175 HydrophobicContact CD2-CG 3.64Å; L172-R175 HydrophobicContact CG-CG 4.49Å; L172-V180 HydrophobicContact CD1-CG1 3.81Å; L172-Y218 HydrophobicContact CD1-CD1 4.03Å; L172-Y218 HydrophobicContact CD1-CE1 3.9Å; L172-Y218 HydrophobicContact CD2-CE1 3.95Å
173	E	97.8	Very high	98	Very high	104 Å²	104	36.4 Å²	36.4	49%	0.486	19%	0.19	S	C	.	.	S	Bend	trans	-84	-39.1	179.3	-57	-170.7	109.7	0	0	110.9	A179 C181 R292	E173-A179 HydrophobicContact CB-CB 4.29Å; E173-A179 WeakPolarHBondContact CB-O 3.39Å; E173-A179 PolarHBondContact N-O 3.25Å; E173-C181 HydrophobicContact CG-CB 3.89Å; E173-C181 WeakPolarHBondContact CG-SG 3.46Å; E173-C181 VanDerWaalsContact OE1-CB 3.29Å; E173-C181 WeakPolarHBondContact OE1-CB 3.29Å; E173-C181 PolarHBondContact OE1-SG 3.45Å; E173-R292 IonicContact OE2-CZ 2.99Å; E173-R292 IonicContact OE2-NH2 2.61Å; E173-R292 PolarHBondContact OE2-NH2 3.38Å
174	D	97.3	Very high	97.9	Very high	46 Å²	46	45.4 Å²	45.4	25%	0.246	23%	0.231	C	C	.	.			trans	-146.9	128.2	178.9	171.1	33	0	0	0	111.5	N176 T177 G178 A179	D174-N176 VanDerWaalsContact C-N 3.31Å; D174-N176 PolarHBondContact O-N 3.45Å; D174-N176 WeakPolarHBondContact OD1-CB 3.42Å; D174-N176 PolarHBondContact OD1-N 2.93Å; D174-N176 PolarHBondContact OD1-ND2 3.18Å; D174-T177 VanDerWaalsContact OD2-CB 3.29Å; D174-T177 WeakPolarHBondContact OD2-CB 3.44Å; D174-T177 WeakPolarHBondContact OD2-CG2 3.46Å; D174-T177 PolarHBondContact OD2-N 3.37Å; D174-T177 PolarHBondContact OD2-OG1 3.02Å; D174-G178 CarbonylContact O-C 3.51Å; D174-G178 WeakPolarHBondContact O-CA 3.38Å; D174-G178 PolarHBondContact O-N 2.9Å; D174-A179 PolarHBondContact N-O 3.05Å; D174-A179 PolarHBondContact O-N 3.27Å
175	R	97.5	Very high	97.8	Very high	84 Å²	84	47.1 Å²	47.1	32%	0.317	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-20.3	176.8	-75.1	175.3	165.9	-149.1	-1	113.5	E155 V158 E162 L172 H217 Y218	E155-R175 IonicContact OE1-CZ 3.89Å; E155-R175 IonicContact OE1-NH1 2.99Å; E155-R175 PolarHBondContact OE1-NH1 2.96Å; E155-R175 IonicContact OE1-NH2 3.48Å; E155-R175 PolarHBondContact OE1-NH2 3.23Å; E155-R175 VanDerWaalsContact OE1-NH2 3.12Å; E155-R175 IonicContact OE2-NH1 3.87Å; E155-R175 PolarHBondContact OE2-NH1 2.86Å; V158-R175 HydrophobicContact CG1-CG 4.26Å; E162-R175 VanDerWaalsContact CD-NH2 3.25Å; E162-R175 IonicContact OE1-CZ 3.46Å; E162-R175 VanDerWaalsContact OE1-CZ 3.29Å; E162-R175 IonicContact OE1-NE 3.07Å; E162-R175 PolarHBondContact OE1-NE 3.46Å; E162-R175 IonicContact OE1-NH2 2.78Å; E162-R175 PolarHBondContact OE1-NH2 2.83Å; E162-R175 IonicContact OE2-CZ 2.6Å; E162-R175 IonicContact OE2-NE 3.87Å; E162-R175 IonicContact OE2-NH2 2.75Å; E162-R175 PolarHBondContact OE2-NH2 3.44Å; L172-R175 HydrophobicContact CD2-CG 3.64Å; L172-R175 HydrophobicContact CG-CG 4.49Å; R175-H217 PolarHBondContact O-NE2 2.91Å; R175-Y218 PolarHBondContact O-OH 2.79Å; R175-Y218 VanDerWaalsContact O-OH 3.11Å
176	N	97.1	Very high	97.8	Very high	135 Å²	135	48.8 Å²	48.8	72%	0.722	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-49.6	-175.3	-54.1	-79.8	0	0	0	112.3	D174 H217	D174-N176 VanDerWaalsContact C-N 3.31Å; D174-N176 PolarHBondContact O-N 3.45Å; D174-N176 WeakPolarHBondContact OD1-CB 3.42Å; D174-N176 PolarHBondContact OD1-N 2.93Å; D174-N176 PolarHBondContact OD1-ND2 3.18Å; N176-H217 PolarHBondContact O-CD2 2.79Å
177	T	97.2	Very high	97.8	Very high	87 Å²	87	53.6 Å²	53.6	53%	0.534	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-18.1	173.7	58.1	0	0	0	0	113.2	D174 A179	D174-T177 VanDerWaalsContact OD2-CB 3.29Å; D174-T177 WeakPolarHBondContact OD2-CB 3.44Å; D174-T177 WeakPolarHBondContact OD2-CG2 3.46Å; D174-T177 PolarHBondContact OD2-N 3.37Å; D174-T177 PolarHBondContact OD2-OG1 3.02Å; T177-A179 VanDerWaalsContact C-N 3.3Å; T177-A179 PolarHBondContact OG1-N 3.34Å
178	G	97.9	Very high	97.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.289	C	S	.	.			trans	76.8	11.2	-175.4	0	0	0	0	0	114.8	D174 Y218 P221	D174-G178 CarbonylContact O-C 3.51Å; D174-G178 WeakPolarHBondContact O-CA 3.38Å; D174-G178 PolarHBondContact O-N 2.9Å; G178-Y218 VanDerWaalsContact CA-CD1 3.42Å; G178-P221 WeakPolarHBondContact O-CB 3.4Å
179	A	98.3	Very high	97.8	Very high	29 Å²	29	58.5 Å²	58.5	24%	0.24	29%	0.294	C	S	.	.			trans	-57.6	138.8	-177.7	0	0	0	0	0	112.9	E173 D174 T177	E173-A179 HydrophobicContact CB-CB 4.29Å; E173-A179 WeakPolarHBondContact CB-O 3.39Å; E173-A179 PolarHBondContact N-O 3.25Å; D174-A179 PolarHBondContact N-O 3.05Å; D174-A179 PolarHBondContact O-N 3.27Å; T177-A179 VanDerWaalsContact C-N 3.3Å; T177-A179 PolarHBondContact OG1-N 3.34Å
180	V	98.6	Very high	97.8	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145.2	-176.7	-70.2	0	0	0	0	113.3	L165 I170 Q171 L172 P221 L222 F225 R292	L165-V180 HydrophobicContact CD1-CG1 3.87Å; I170-V180 HydrophobicContact CG2-CB 3.75Å; I170-V180 HydrophobicContact CG2-CG1 4.17Å; I170-V180 HydrophobicContact CG2-CG2 4.3Å; Q171-V180 CarbonylContact O-C 3.04Å; Q171-V180 VanDerWaalsContact O-CA 3.22Å; Q171-V180 WeakPolarHBondContact O-CA 3.44Å; L172-V180 HydrophobicContact CD1-CG1 3.81Å; V180-P221 HydrophobicContact CG2-CB 4.49Å; V180-L222 HydrophobicContact CG2-CD1 4.48Å; V180-F225 HydrophobicContact CG2-CB 3.82Å; V180-F225 HydrophobicContact CG2-CD2 4.36Å; V180-F225 HydrophobicContact CG2-CG 4.19Å; V180-R292 PolarHBondContact O-NH2 2.89Å
181	C	98.4	Very high	97.8	Very high	28 Å²	28	65 Å²	65	19%	0.189	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	-179.7	174.4	68.4	0	0	0	0	112.7	I170 Q171 E173 A183	I170-C181 CarbonylContact C-O 3.5Å; I170-C181 WeakPolarHBondContact CA-O 3.25Å; I170-C181 WeakPolarHBondContact CG2-O 3.4Å; Q171-C181 PolarHBondContact N-O 3.23Å; Q171-C181 PolarHBondContact O-N 2.92Å; E173-C181 HydrophobicContact CG-CB 3.89Å; E173-C181 WeakPolarHBondContact CG-SG 3.46Å; E173-C181 VanDerWaalsContact OE1-CB 3.29Å; E173-C181 WeakPolarHBondContact OE1-CB 3.29Å; E173-C181 PolarHBondContact OE1-SG 3.45Å; C181-A183 PolarHBondContact O-N 2.78Å
182	R	98.6	Very high	97.7	Very high	82 Å²	82	60.9 Å²	60.9	31%	0.309	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	122.3	174.1	-67.9	174.2	179.5	161.6	0.6	109.3	F186 F190 F225 E229 Q233	R182-F186 HydrophobicContact CB-CB 3.99Å; R182-F186 HydrophobicContact CB-CD1 3.97Å; R182-F186 HydrophobicContact CB-CD2 4.43Å; R182-F186 HydrophobicContact CB-CG 3.88Å; R182-F186 HydrophobicContact CG-CB 4.37Å; R182-F186 HydrophobicContact CG-CD2 4.16Å; R182-F186 HydrophobicContact CG-CG 4.11Å; R182-F190 HydrophobicContact CG-CZ 4.25Å; R182-F225 HydrophobicContact CG-CE2 4.02Å; R182-F225 HydrophobicContact CG-CZ 4.02Å; R182-E229 IonicContact CZ-OE1 2.64Å; R182-E229 IonicContact CZ-OE2 3Å; R182-E229 IonicContact NE-OE1 2.66Å; R182-E229 PolarHBondContact NE-OE1 3.12Å; R182-E229 IonicContact NE-OE2 2.78Å; R182-E229 VanDerWaalsContact NH2-CD 3.26Å; R182-E229 IonicContact NH2-OE1 3.15Å; R182-E229 PolarHBondContact NH2-OE1 2.7Å; R182-E229 IonicContact NH2-OE2 2.79Å; R182-E229 PolarHBondContact NH2-OE2 2.92Å; R182-Q233 VanDerWaalsContact NH2-OE1 3.08Å
183	A	97.7	Very high	97.6	Very high	10 Å²	10	59.9 Å²	59.9	8%	0.083	30%	0.3	C	S	.	.			trans	-69.4	163.3	169.7	0	0	0	0	0	111	G169 Q171 C181 N185 F186	G169-A183 PolarHBondContact O-N 3.35Å; Q171-A183 HydrophobicContact CB-CB 4Å; C181-A183 PolarHBondContact O-N 2.78Å; A183-N185 WeakPolarHBondContact CB-OD1 3.28Å; A183-N185 PolarHBondContact O-N 2.85Å; A183-N185 VanDerWaalsContact O-N 3.11Å; A183-F186 VanDerWaalsContact O-CB 3.31Å; A183-F186 WeakPolarHBondContact O-CB 3.46Å; A183-F186 WeakPolarHBondContact O-CD1 3.45Å; A183-F186 PolarHBondContact O-N 3.35Å
184	Q	97	Very high	97.6	Very high	197 Å²	197	57.3 Å²	57.3	92%	0.921	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-29.9	-178.9	-59.8	-179.4	12.2	0	0	113	F186	Q184-F186 VanDerWaalsContact C-N 3.34Å; Q184-F186 PolarHBondContact O-N 2.96Å
185	N	96	Very high	97.6	Very high	38 Å²	38	58.3 Å²	58.3	20%	0.203	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	11.7	178.4	69.8	-16.9	0	0	0	114.1	Y111 G166 G169 A183 Q187 P188 R189	Y111-N185 VanDerWaalsContact CE2-ND2 3.32Å; Y111-N185 WeakPolarHBondContact CE2-ND2 3.47Å; Y111-N185 PolarHBondContact OH-ND2 3.48Å; G166-N185 PolarHBondContact O-ND2 3.37Å; G166-N185 VanDerWaalsContact O-ND2 3.09Å; G169-N185 WeakPolarHBondContact CA-OD1 3.43Å; A183-N185 WeakPolarHBondContact CB-OD1 3.28Å; A183-N185 PolarHBondContact O-N 2.85Å; A183-N185 VanDerWaalsContact O-N 3.11Å; N185-Q187 VanDerWaalsContact C-N 3.33Å; N185-Q187 PolarHBondContact O-N 2.91Å; N185-P188 WeakPolarHBondContact O-CD 3.48Å; N185-P188 VanDerWaalsContact O-CG 3.32Å; N185-P188 WeakPolarHBondContact O-CG 3.28Å; N185-R189 PolarHBondContact O-N 2.94Å
186	F	97.9	Very high	97.5	Very high	38 Å²	38	57.8 Å²	57.8	17%	0.167	30%	0.301	C	S	.	.	H	α-helix	trans	-59.2	-36.6	-167.9	80.6	-84	0	0	0	114.5	G169 R182 A183 Q184 R189 F190	G169-F186 VanDerWaalsContact O-CB 3.3Å; G169-F186 WeakPolarHBondContact O-CB 3.36Å; R182-F186 HydrophobicContact CB-CB 3.99Å; R182-F186 HydrophobicContact CB-CD1 3.97Å; R182-F186 HydrophobicContact CB-CD2 4.43Å; R182-F186 HydrophobicContact CB-CG 3.88Å; R182-F186 HydrophobicContact CG-CB 4.37Å; R182-F186 HydrophobicContact CG-CD2 4.16Å; R182-F186 HydrophobicContact CG-CG 4.11Å; A183-F186 VanDerWaalsContact O-CB 3.31Å; A183-F186 WeakPolarHBondContact O-CB 3.46Å; A183-F186 WeakPolarHBondContact O-CD1 3.45Å; A183-F186 PolarHBondContact O-N 3.35Å; Q184-F186 VanDerWaalsContact C-N 3.34Å; Q184-F186 PolarHBondContact O-N 2.96Å; F186-R189 PolarHBondContact O-N 3.36Å; F186-F190 HydrophobicContact CB-CD1 4.3Å; F186-F190 HydrophobicContact CB-CE1 4.15Å; F186-F190 HydrophobicContact CB-CZ 4.42Å; F186-F190 AromaticContact CD2-CD2 3.81Å; F186-F190 HydrophobicContact CD2-CD2 3.81Å; F186-F190 AromaticContact CD2-CE2 3.79Å; F186-F190 HydrophobicContact CD2-CE2 3.79Å; F186-F190 HydrophobicContact CD2-CG 4.23Å; F186-F190 HydrophobicContact CD2-CZ 4.18Å; F186-F190 HydrophobicContact CE2-CD2 4.46Å; F186-F190 HydrophobicContact CE2-CE2 4.44Å; F186-F190 VanDerWaalsContact O-CB 3.23Å; F186-F190 WeakPolarHBondContact O-CB 3.26Å; F186-F190 WeakPolarHBondContact O-CD1 3.39Å; F186-F190 VanDerWaalsContact O-CG 3.3Å; F186-F190 WeakPolarHBondContact O-CG 3.39Å; F186-F190 PolarHBondContact O-N 2.96Å
187	Q	98	Very high	97.3	Very high	117 Å²	117	53.4 Å²	53.4	55%	0.547	28%	0.281	S	S	.	.	H	α-helix	trans	-58.7	-57.4	-175.8	-66.5	-75.3	6	0	0	113.6	N185 R189 F190 H191	N185-Q187 VanDerWaalsContact C-N 3.33Å; N185-Q187 PolarHBondContact O-N 2.91Å; Q187-R189 VanDerWaalsContact C-N 3.31Å; Q187-R189 PolarHBondContact O-N 3.47Å; Q187-F190 PolarHBondContact O-N 3.31Å; Q187-H191 PolarHBondContact O-N 3.21Å
188	P	97.8	Very high	97.2	Very high	73 Å²	73	51.6 Å²	51.6	47%	0.474	27%	0.267	S	S	.	.	H	α-helix	trans	-65	-30.8	176.5	24.7	-35.1	0	0	0	113.4	N185 H191 N192	N185-P188 WeakPolarHBondContact O-CD 3.48Å; N185-P188 VanDerWaalsContact O-CG 3.32Å; N185-P188 WeakPolarHBondContact O-CG 3.28Å; P188-H191 PolarHBondContact O-N 2.95Å; P188-N192 WeakPolarHBondContact O-CB 3.24Å; P188-N192 PolarHBondContact O-N 2.65Å
189	R	97.7	Very high	97.1	Very high	32 Å²	32	51.6 Å²	51.6	12%	0.121	27%	0.267	C	S	.	.	H	α-helix	trans	-76.6	-30.4	178.4	-64.1	-60.3	108.3	-167.7	12.1	113	D112 F167 N185 F186 Q187 N192 L193	D112-R189 IonicContact OD1-NH2 2.87Å; F167-R189 WeakPolarHBondContact O-CD 3.2Å; F167-R189 WeakPolarHBondContact O-CG 3.22Å; N185-R189 PolarHBondContact O-N 2.94Å; F186-R189 PolarHBondContact O-N 3.36Å; Q187-R189 VanDerWaalsContact C-N 3.31Å; Q187-R189 PolarHBondContact O-N 3.47Å; R189-N192 WeakPolarHBondContact O-CB 3.42Å; R189-N192 PolarHBondContact O-N 2.94Å; R189-L193 PolarHBondContact O-N 2.98Å
190	F	98.2	Very high	97.1	Very high	5 Å²	5	50.8 Å²	50.8	2%	0.022	26%	0.258	C	S	.	.	H	α-helix	trans	-71	-35.1	168.8	-79.5	19.9	0	0	0	111.6	R182 F186 Q187 N192 L193 N194 F225 E229 K235 L236	R182-F190 HydrophobicContact CG-CZ 4.25Å; F186-F190 HydrophobicContact CB-CD1 4.3Å; F186-F190 HydrophobicContact CB-CE1 4.15Å; F186-F190 HydrophobicContact CB-CZ 4.42Å; F186-F190 AromaticContact CD2-CD2 3.81Å; F186-F190 HydrophobicContact CD2-CD2 3.81Å; F186-F190 AromaticContact CD2-CE2 3.79Å; F186-F190 HydrophobicContact CD2-CE2 3.79Å; F186-F190 HydrophobicContact CD2-CG 4.23Å; F186-F190 HydrophobicContact CD2-CZ 4.18Å; F186-F190 HydrophobicContact CE2-CD2 4.46Å; F186-F190 HydrophobicContact CE2-CE2 4.44Å; F186-F190 VanDerWaalsContact O-CB 3.23Å; F186-F190 WeakPolarHBondContact O-CB 3.26Å; F186-F190 WeakPolarHBondContact O-CD1 3.39Å; F186-F190 VanDerWaalsContact O-CG 3.3Å; F186-F190 WeakPolarHBondContact O-CG 3.39Å; F186-F190 PolarHBondContact O-N 2.96Å; Q187-F190 PolarHBondContact O-N 3.31Å; F190-N192 VanDerWaalsContact C-N 3.34Å; F190-L193 HydrophobicContact CD1-CD1 4.33Å; F190-L193 PolarHBondContact O-N 3.24Å; F190-N194 PolarHBondContact O-N 3.31Å; F190-N194 PolarHBondContact O-ND2 3.4Å; F190-F225 HydrophobicContact CE1-CE1 4.32Å; F190-F225 HydrophobicContact CE1-CZ 4.28Å; F190-F225 HydrophobicContact CZ-CE1 4.01Å; F190-F225 AromaticContact CZ-CZ 3.79Å; F190-F225 HydrophobicContact CZ-CZ 3.79Å; F190-E229 HydrophobicContact CE2-CG 3.97Å; F190-E229 HydrophobicContact CZ-CG 3.93Å; F190-K235 HydrophobicContact CD2-CB 3.82Å; F190-K235 HydrophobicContact CE2-CB 4.04Å; F190-L236 HydrophobicContact CB-CD2 3.77Å; F190-L236 HydrophobicContact CD1-CD2 4.07Å; F190-L236 HydrophobicContact CD2-CD2 3.97Å; F190-L236 HydrophobicContact CD2-CG 4.13Å; F190-L236 HydrophobicContact CE1-CD1 4.34Å; F190-L236 HydrophobicContact CE2-CD1 4.41Å; F190-L236 HydrophobicContact CE2-CG 4.31Å; F190-L236 HydrophobicContact CG-CD2 3.67Å; F190-L236 HydrophobicContact CG-CG 4.29Å; F190-L236 HydrophobicContact CZ-CD1 4.28Å
191	H	97.7	Very high	96.9	Very high	132 Å²	132	53.1 Å²	53.1	61%	0.611	27%	0.27	S	S	*	.	H	α-helix	trans	-61.1	-46.1	169.2	179.7	50.6	0	0	0	110.8	Q187 P188 L193 N194 S195	Q187-H191 PolarHBondContact O-N 3.21Å; P188-H191 PolarHBondContact O-N 2.95Å; H191-L193 PolarHBondContact O-N 3.18Å; H191-N194 PolarHBondContact O-N 3.11Å; H191-N194 VanDerWaalsContact O-N 3.07Å; H191-S195 PolarHBondContact O-N 3.03Å; H191-S195 PolarHBondContact O-OG 3.03Å
192	N	97	Very high	96.9	Very high	16 Å²	16	52.3 Å²	52.3	9%	0.086	26%	0.263	C	S	.	.	H	α-helix	trans	-57.2	-47.5	175	-175.6	67.4	0	0	0	113.1	E115 P188 R189 F190 N194 S195 H196	E115-N192 PolarHBondContact OE2-ND2 2.76Å; E115-N192 PolarHBondContact OE2-OD1 3.11Å; P188-N192 WeakPolarHBondContact O-CB 3.24Å; P188-N192 PolarHBondContact O-N 2.65Å; R189-N192 WeakPolarHBondContact O-CB 3.42Å; R189-N192 PolarHBondContact O-N 2.94Å; F190-N192 VanDerWaalsContact C-N 3.34Å; N192-N194 VanDerWaalsContact C-N 3.27Å; N192-N194 PolarHBondContact O-N 2.92Å; N192-S195 PolarHBondContact O-N 3.32Å; N192-S195 VanDerWaalsContact O-N 3.1Å; N192-H196 PolarHBondContact O-N 2.99Å; N192-H196 PolarHBondContact OD1-CE1 3.01Å; N192-H196 PolarHBondContact OD1-ND1 3.44Å
193	L	97.1	Very high	96.9	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-59.3	-34.2	172.9	-78.6	173.5	0	0	0	113.5	Y168 R189 F190 H191 N199 I203 F226 L236 S238 V239	Y168-L193 HydrophobicContact CD1-CD2 3.65Å; Y168-L193 HydrophobicContact CD1-CG 4.31Å; Y168-L193 HydrophobicContact CE1-CD2 4.1Å; Y168-L193 HydrophobicContact CG-CD2 4.43Å; R189-L193 PolarHBondContact O-N 2.98Å; F190-L193 HydrophobicContact CD1-CD1 4.33Å; F190-L193 PolarHBondContact O-N 3.24Å; H191-L193 PolarHBondContact O-N 3.18Å; L193-N199 HydrophobicContact CD2-CB 3.9Å; L193-I203 HydrophobicContact CD2-CD1 4.06Å; L193-F226 HydrophobicContact CD1-CE1 4.36Å; L193-L236 HydrophobicContact CB-CD2 3.88Å; L193-L236 HydrophobicContact CD1-CD1 4.18Å; L193-L236 HydrophobicContact CD1-CD2 3.94Å; L193-S238 PolarHBondContact O-OG 3.29Å; L193-V239 HydrophobicContact CB-CG2 4.37Å
194	N	97.7	Very high	96.9	Very high	50 Å²	50	48.2 Å²	48.2	27%	0.267	25%	0.247	S	C	.	.	H	α-helix	trans	-73.8	-26.2	175.6	-78.5	-65.2	0	0	0	113.6	F190 H191 N192 K235 P237 S238	F190-N194 PolarHBondContact O-N 3.31Å; F190-N194 PolarHBondContact O-ND2 3.4Å; H191-N194 PolarHBondContact O-N 3.11Å; H191-N194 VanDerWaalsContact O-N 3.07Å; N192-N194 VanDerWaalsContact C-N 3.27Å; N192-N194 PolarHBondContact O-N 2.92Å; N194-K235 PolarHBondContact ND2-O 2.91Å; N194-P237 WeakPolarHBondContact OD1-CD 3.4Å; N194-P237 WeakPolarHBondContact OD1-CG 3.29Å; N194-S238 WeakPolarHBondContact CA-OG 3.45Å; N194-S238 PolarHBondContact OD1-N 3.44Å
195	S	96.6	Very high	96.9	Very high	67 Å²	67	40.3 Å²	40.3	47%	0.469	21%	0.208	S	C	.	.	H	α-helix	trans	-89.3	-31.8	179.1	-68.6	0	0	0	0	114.2	H191 N192	H191-S195 PolarHBondContact O-N 3.03Å; H191-S195 PolarHBondContact O-OG 3.03Å; N192-S195 PolarHBondContact O-N 3.32Å; N192-S195 VanDerWaalsContact O-N 3.1Å
196	H	95.1	Very high	97	Very high	73 Å²	73	38.6 Å²	38.6	34%	0.338	20%	0.199	S	C	.	.			trans	-114.4	85.9	-169.6	-61.3	134	0	0	0	112.2	E115 N192 H198 N199	E115-H196 WeakPolarHBondContact OE1-CB 3.44Å; E115-H196 IonicContact OE1-CG 3.51Å; E115-H196 IonicContact OE1-ND1 3.66Å; E115-H196 PolarHBondContact OE1-ND1 3.02Å; E115-H196 IonicContact OE2-ND1 2.69Å; N192-H196 PolarHBondContact O-N 2.99Å; N192-H196 PolarHBondContact OD1-CE1 3.01Å; N192-H196 PolarHBondContact OD1-ND1 3.44Å; H196-H198 PolarHBondContact O-N 3.16Å; H196-H198 VanDerWaalsContact O-N 3.12Å; H196-N199 WeakPolarHBondContact CB-ND2 3.2Å; H196-N199 WeakPolarHBondContact O-CB 3.43Å; H196-N199 PolarHBondContact O-N 3.13Å
197	S	93.5	Very high	97.1	Very high	43 Å²	43	36.8 Å²	36.8	30%	0.301	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-28.6	-173.7	59.1	0	0	0	0	114.5	N199 N200 E389	S197-N199 PolarHBondContact O-N 2.76Å; S197-N200 WeakPolarHBondContact O-CB 3.44Å; S197-N200 PolarHBondContact O-N 2.87Å; S197-N200 PolarHBondContact O-ND2 3.24Å; S197-E389 PolarHBondContact OG-OE2 2.91Å
198	H	94.3	Very high	97.1	Very high	50 Å²	50	31.4 Å²	31.4	23%	0.231	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-19.1	178.6	75.9	-99.4	0	0	0	113.3	E115 H118 H196 N200 L201 R202	E115-H198 IonicContact OE1-CE1 3.49Å; E115-H198 PolarHBondContact OE1-CE1 2.8Å; E115-H198 IonicContact OE1-NE2 3.47Å; E115-H198 PolarHBondContact OE1-NE2 3.39Å; H118-H198 AromaticContact NE2-CE1 3.85Å; H118-H198 AromaticContact NE2-NE2 3.82Å; H196-H198 PolarHBondContact O-N 3.16Å; H196-H198 VanDerWaalsContact O-N 3.12Å; H198-N200 PolarHBondContact O-N 3.39Å; H198-L201 WeakPolarHBondContact O-CB 3.45Å; H198-L201 PolarHBondContact O-N 3.43Å; H198-R202 PolarHBondContact CD2-NE 2.88Å; H198-R202 PolarHBondContact NE2-NE 2.98Å; H198-R202 PolarHBondContact NE2-NH2 3.38Å; H198-R202 PolarHBondContact O-N 3.45Å
199	N	96.8	Very high	97.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.4	-24.3	173.3	-79	-53.1	0	0	0	112.2	E115 Y168 L193 H196 S197 L201 R202 I203	E115-N199 PolarHBondContact OE1-ND2 2.93Å; E115-N199 PolarHBondContact OE2-ND2 3.43Å; Y168-N199 HydrophobicContact CE1-CB 4.2Å; L193-N199 HydrophobicContact CD2-CB 3.9Å; H196-N199 WeakPolarHBondContact CB-ND2 3.2Å; H196-N199 WeakPolarHBondContact O-CB 3.43Å; H196-N199 PolarHBondContact O-N 3.13Å; S197-N199 PolarHBondContact O-N 2.76Å; N199-L201 VanDerWaalsContact C-N 3.27Å; N199-L201 PolarHBondContact O-N 3.29Å; N199-R202 WeakPolarHBondContact O-CB 3.46Å; N199-R202 PolarHBondContact O-N 3.48Å; N199-R202 VanDerWaalsContact OD1-CD 3.29Å; N199-R202 WeakPolarHBondContact OD1-CD 3.45Å; N199-R202 PolarHBondContact OD1-NE 3.25Å; N199-I203 VanDerWaalsContact O-CG1 3.32Å; N199-I203 WeakPolarHBondContact O-CG1 3.45Å; N199-I203 PolarHBondContact O-N 3.4Å
200	N	97.2	Very high	97.1	Very high	11 Å²	11	26.4 Å²	26.4	6%	0.059	14%	0.137	C	C	.	.	H	α-helix	trans	-59.8	-37.9	169.7	-65.7	-57	0	0	0	112.2	S197 H198 I203 T204 S242 F247	S197-N200 WeakPolarHBondContact O-CB 3.44Å; S197-N200 PolarHBondContact O-N 2.87Å; S197-N200 PolarHBondContact O-ND2 3.24Å; H198-N200 PolarHBondContact O-N 3.39Å; N200-I203 PolarHBondContact O-N 3.3Å; N200-T204 PolarHBondContact O-N 3.19Å; N200-T204 PolarHBondContact O-OG1 3.02Å; N200-S242 WeakPolarHBondContact CB-OG 3.29Å; N200-F247 HydrophobicContact CB-CZ 4.28Å; N200-F247 WeakPolarHBondContact O-CE1 3.4Å
201	L	95.3	Very high	97.1	Very high	53 Å²	53	26.2 Å²	26.2	28%	0.277	14%	0.137	S	C	.	.	H	α-helix	trans	-69.2	-38.3	176	-60.7	179.1	0	0	0	111.9	H198 N199 I203 T204 R205 I393 L397	H198-L201 WeakPolarHBondContact O-CB 3.45Å; H198-L201 PolarHBondContact O-N 3.43Å; N199-L201 VanDerWaalsContact C-N 3.27Å; N199-L201 PolarHBondContact O-N 3.29Å; L201-I203 VanDerWaalsContact C-N 3.33Å; L201-T204 PolarHBondContact O-N 2.93Å; L201-R205 WeakPolarHBondContact O-CB 3.39Å; L201-R205 PolarHBondContact O-N 3.25Å; L201-I393 HydrophobicContact CD1-CG2 3.82Å; L201-I393 HydrophobicContact CD2-CG2 3.63Å; L201-I393 HydrophobicContact CG-CG2 4.06Å; L201-L397 HydrophobicContact CD1-CD1 4.12Å; L201-L397 HydrophobicContact CD2-CD1 3.83Å; L201-L397 HydrophobicContact CD2-CD2 4.47Å
202	R	97.2	Very high	97.1	Very high	10 Å²	10	20.6 Å²	20.6	4%	0.038	11%	0.111	C	C	.	.	H	α-helix	trans	-60.8	-44.4	173.5	-55.5	-168.5	-161.6	-160.1	7.4	110.3	L114 E115 H118 Y120 I121 Y168 H198 N199 R205 I206	L114-R202 PolarHBondContact O-NH1 3.27Å; E115-R202 PolarHBondContact O-NH2 2.86Å; H118-R202 PolarHBondContact CD2-NH2 2.77Å; H118-R202 VanDerWaalsContact CD2-NH2 3.26Å; Y120-R202 PolarHBondContact OH-NH1 3.23Å; I121-R202 HydrophobicContact CD1-CB 4.11Å; I121-R202 HydrophobicContact CD1-CG 4.44Å; I121-R202 HydrophobicContact CG1-CB 4.04Å; I121-R202 HydrophobicContact CG1-CG 4.07Å; Y168-R202 WeakPolarHBondContact OH-CB 3.38Å; H198-R202 PolarHBondContact CD2-NE 2.88Å; H198-R202 PolarHBondContact NE2-NE 2.98Å; H198-R202 PolarHBondContact NE2-NH2 3.38Å; H198-R202 PolarHBondContact O-N 3.45Å; N199-R202 WeakPolarHBondContact O-CB 3.46Å; N199-R202 PolarHBondContact O-N 3.48Å; N199-R202 VanDerWaalsContact OD1-CD 3.29Å; N199-R202 WeakPolarHBondContact OD1-CD 3.45Å; N199-R202 PolarHBondContact OD1-NE 3.25Å; R202-R205 PolarHBondContact O-N 2.85Å; R202-I206 WeakPolarHBondContact O-CD1 3.19Å; R202-I206 WeakPolarHBondContact O-CG1 3.38Å; R202-I206 PolarHBondContact O-N 2.86Å
203	I	98.4	Very high	97.1	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-63.2	-46.3	175.6	-64	159.3	0	0	0	111.6	Y168 L193 N199 N200 L201 R205 I206 L207 F226 F247	Y168-I203 HydrophobicContact CD2-CG1 4.2Å; Y168-I203 HydrophobicContact CE1-CD1 4.34Å; Y168-I203 HydrophobicContact CE1-CG1 4.11Å; Y168-I203 HydrophobicContact CE2-CD1 4.38Å; Y168-I203 HydrophobicContact CE2-CG1 3.57Å; L193-I203 HydrophobicContact CD2-CD1 4.06Å; N199-I203 VanDerWaalsContact O-CG1 3.32Å; N199-I203 WeakPolarHBondContact O-CG1 3.45Å; N199-I203 PolarHBondContact O-N 3.4Å; N200-I203 PolarHBondContact O-N 3.3Å; L201-I203 VanDerWaalsContact C-N 3.33Å; I203-R205 VanDerWaalsContact C-N 3.32Å; I203-R205 PolarHBondContact O-N 3.46Å; I203-I206 PolarHBondContact O-N 2.99Å; I203-L207 HydrophobicContact CG2-CD1 4Å; I203-L207 HydrophobicContact CG2-CG 4.41Å; I203-L207 WeakPolarHBondContact O-CG 3.38Å; I203-L207 PolarHBondContact O-N 3.39Å; I203-F226 HydrophobicContact CD1-CE1 4.15Å; I203-F226 HydrophobicContact CD1-CE2 4.16Å; I203-F226 HydrophobicContact CD1-CZ 3.6Å; I203-F226 HydrophobicContact CG1-CE2 4.47Å; I203-F226 HydrophobicContact CG1-CZ 4.24Å; I203-F226 HydrophobicContact CG2-CD2 4.42Å; I203-F226 HydrophobicContact CG2-CE2 3.77Å; I203-F226 HydrophobicContact CG2-CZ 4.33Å; I203-F247 HydrophobicContact CB-CE1 3.91Å; I203-F247 HydrophobicContact CB-CE2 4.23Å; I203-F247 HydrophobicContact CB-CZ 3.65Å; I203-F247 HydrophobicContact CD1-CE2 4.22Å; I203-F247 HydrophobicContact CD1-CZ 3.98Å; I203-F247 HydrophobicContact CG1-CZ 4.43Å; I203-F247 HydrophobicContact CG2-CD1 4.06Å; I203-F247 HydrophobicContact CG2-CD2 3.98Å; I203-F247 HydrophobicContact CG2-CE1 3.68Å; I203-F247 HydrophobicContact CG2-CE2 3.57Å; I203-F247 HydrophobicContact CG2-CG 4.24Å; I203-F247 HydrophobicContact CG2-CZ 3.44Å; I203-F247 VanDerWaalsContact CG2-CZ 3.44Å
204	T	98	Very high	97	Very high	6 Å²	6	20.4 Å²	20.4	4%	0.037	11%	0.113	C	C	.	.	H	α-helix	trans	-58.1	-43.4	175.1	-62.8	0	0	0	0	111.6	M62 N200 L201 L207 K208 Y246 F247	M62-T204 HydrophobicContact CE-CG2 4.06Å; N200-T204 PolarHBondContact O-N 3.19Å; N200-T204 PolarHBondContact O-OG1 3.02Å; L201-T204 PolarHBondContact O-N 2.93Å; T204-L207 PolarHBondContact O-N 2.76Å; T204-K208 HydrophobicContact CG2-CD 4.16Å; T204-K208 HydrophobicContact CG2-CG 4.47Å; T204-K208 WeakPolarHBondContact O-CG 3.41Å; T204-K208 PolarHBondContact O-N 3.29Å; T204-Y246 HydrophobicContact CG2-CD1 4.05Å; T204-Y246 HydrophobicContact CG2-CG 4.47Å; T204-F247 WeakPolarHBondContact OG1-CE1 3.33Å
205	R	97.8	Very high	97	Very high	31 Å²	31	18.3 Å²	18.3	12%	0.117	10%	0.102	C	C	.	.	H	α-helix	trans	-65.6	-41.1	177.5	-176.9	155.7	-175.5	118.3	-1.9	112.6	Q122 F125 L127 L201 R202 I203 K208 S209	Q122-R205 PolarHBondContact O-NH2 2.92Å; F125-R205 HydrophobicContact CB-CG 4.15Å; F125-R205 PolarHBondContact O-NE 3.03Å; F125-R205 PolarHBondContact O-NH2 3.37Å; L127-R205 HydrophobicContact CD1-CG 3.85Å; L127-R205 HydrophobicContact CG-CG 4.07Å; L201-R205 WeakPolarHBondContact O-CB 3.39Å; L201-R205 PolarHBondContact O-N 3.25Å; R202-R205 PolarHBondContact O-N 2.85Å; I203-R205 VanDerWaalsContact C-N 3.32Å; I203-R205 PolarHBondContact O-N 3.46Å; R205-K208 PolarHBondContact O-N 2.94Å; R205-S209 VanDerWaalsContact O-CB 3.22Å; R205-S209 WeakPolarHBondContact O-CB 3.48Å; R205-S209 PolarHBondContact O-N 3Å
206	I	98.4	Very high	97	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-58	-51.2	172.6	-69.7	160.5	0	0	0	110.3	I121 F125 Y161 M164 Y168 R202 I203 K208 S209 L210	I121-I206 HydrophobicContact CD1-CD1 4.41Å; I121-I206 HydrophobicContact CD1-CG1 4.5Å; F125-I206 HydrophobicContact CD1-CB 4.11Å; F125-I206 HydrophobicContact CD1-CG1 3.79Å; F125-I206 HydrophobicContact CD1-CG2 4.16Å; F125-I206 HydrophobicContact CD2-CD1 4.43Å; F125-I206 HydrophobicContact CD2-CG1 3.58Å; F125-I206 HydrophobicContact CE1-CB 4.26Å; F125-I206 HydrophobicContact CE1-CG1 3.87Å; F125-I206 HydrophobicContact CE1-CG2 3.89Å; F125-I206 HydrophobicContact CE2-CD1 4.2Å; F125-I206 HydrophobicContact CE2-CG1 3.68Å; F125-I206 HydrophobicContact CG-CB 4.34Å; F125-I206 HydrophobicContact CG-CG1 3.65Å; F125-I206 HydrophobicContact CZ-CD1 4.4Å; F125-I206 HydrophobicContact CZ-CG1 3.81Å; F125-I206 HydrophobicContact CZ-CG2 4.36Å; Y161-I206 HydrophobicContact CD2-CG2 3.93Å; Y161-I206 HydrophobicContact CE2-CG2 4.14Å; M164-I206 HydrophobicContact CB-CD1 3.81Å; M164-I206 HydrophobicContact CE-CD1 4.17Å; M164-I206 HydrophobicContact CG-CD1 3.89Å; Y168-I206 HydrophobicContact CE2-CD1 3.76Å; Y168-I206 WeakPolarHBondContact OH-CD1 3.2Å; R202-I206 WeakPolarHBondContact O-CD1 3.19Å; R202-I206 WeakPolarHBondContact O-CG1 3.38Å; R202-I206 PolarHBondContact O-N 2.86Å; I203-I206 PolarHBondContact O-N 2.99Å; I206-K208 PolarHBondContact O-N 3.27Å; I206-S209 PolarHBondContact O-N 3.24Å; I206-L210 HydrophobicContact CG2-CD1 3.76Å; I206-L210 HydrophobicContact CG2-CG 4.34Å; I206-L210 VanDerWaalsContact O-CG 3.27Å; I206-L210 WeakPolarHBondContact O-CG 3.45Å; I206-L210 PolarHBondContact O-N 3.14Å
207	L	98.7	Very high	97.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.2	-47	179.7	-73.5	170.2	0	0	0	111.9	I203 T204 S209 G211 Q219 L222 V223 F247 A250	I203-L207 HydrophobicContact CG2-CD1 4Å; I203-L207 HydrophobicContact CG2-CG 4.41Å; I203-L207 WeakPolarHBondContact O-CG 3.38Å; I203-L207 PolarHBondContact O-N 3.39Å; T204-L207 PolarHBondContact O-N 2.76Å; L207-S209 PolarHBondContact O-N 2.87Å; L207-G211 PolarHBondContact O-N 2.71Å; L207-Q219 HydrophobicContact CD2-CB 4.31Å; L207-Q219 PolarHBondContact O-NE2 2.72Å; L207-L222 HydrophobicContact CD2-CB 4.5Å; L207-L222 HydrophobicContact CD2-CD2 4.05Å; L207-V223 HydrophobicContact CD1-CG2 3.88Å; L207-V223 HydrophobicContact CD2-CG2 3.87Å; L207-F247 HydrophobicContact CD1-CB 3.62Å; L207-F247 HydrophobicContact CD1-CD1 4.01Å; L207-F247 HydrophobicContact CD1-CG 3.81Å; L207-A250 HydrophobicContact CB-CB 3.78Å; L207-A250 HydrophobicContact CD1-CB 4.34Å
208	K	98.4	Very high	97.4	Very high	3 Å²	3	16 Å²	16	1%	0.013	8%	0.078	C	C	.	.	H	α-helix	trans	-58.2	-48.1	176.6	-71.9	176.9	106.6	169.1	0	111.1	D61 M62 Y65 L127 E129 T204 R205 I206 G211 E212	D61-K208 IonicContact OD1-NZ 3.19Å; D61-K208 PolarHBondContact OD1-NZ 3.44Å; D61-K208 IonicContact OD2-NZ 3.89Å; D61-K208 PolarHBondContact OD2-NZ 3.38Å; M62-K208 HydrophobicContact CE-CD 3.74Å; M62-K208 HydrophobicContact CE-CG 4.05Å; Y65-K208 HydrophobicContact CD1-CG 4.35Å; Y65-K208 HydrophobicContact CD2-CB 4.05Å; Y65-K208 HydrophobicContact CD2-CD 4.39Å; Y65-K208 HydrophobicContact CD2-CG 3.9Å; Y65-K208 HydrophobicContact CE1-CG 4.42Å; Y65-K208 HydrophobicContact CE2-CB 3.66Å; Y65-K208 HydrophobicContact CE2-CG 3.91Å; Y65-K208 WeakPolarHBondContact CE2-O 3.39Å; Y65-K208 HydrophobicContact CG-CG 4.1Å; Y65-K208 WeakPolarHBondContact OH-CA 3.22Å; Y65-K208 PolarHBondContact OH-O 3.39Å; L127-K208 HydrophobicContact CD1-CB 4.1Å; L127-K208 HydrophobicContact CD1-CD 4.1Å; L127-K208 HydrophobicContact CD2-CB 3.52Å; E129-K208 IonicContact OE1-NZ 2.7Å; E129-K208 PolarHBondContact OE1-NZ 3Å; E129-K208 IonicContact OE2-NZ 3.73Å; E129-K208 PolarHBondContact OE2-NZ 3Å; T204-K208 HydrophobicContact CG2-CD 4.16Å; T204-K208 HydrophobicContact CG2-CG 4.47Å; T204-K208 WeakPolarHBondContact O-CG 3.41Å; T204-K208 PolarHBondContact O-N 3.29Å; R205-K208 PolarHBondContact O-N 2.94Å; I206-K208 PolarHBondContact O-N 3.27Å; K208-G211 PolarHBondContact O-N 3.3Å; K208-E212 PolarHBondContact O-N 3.47Å
209	S	98.2	Very high	97.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-66.3	-42.7	-175	-169.4	0	0	0	0	112.7	P126 L127 R205 I206 L207 G211 E212 L213	P126-S209 WeakPolarHBondContact O-CB 3.35Å; P126-S209 PolarHBondContact O-OG 3.34Å; L127-S209 VanDerWaalsContact CD2-CA 3.5Å; L127-S209 VanDerWaalsContact CD2-N 3.29Å; R205-S209 VanDerWaalsContact O-CB 3.22Å; R205-S209 WeakPolarHBondContact O-CB 3.48Å; R205-S209 PolarHBondContact O-N 3Å; I206-S209 PolarHBondContact O-N 3.24Å; L207-S209 PolarHBondContact O-N 2.87Å; S209-G211 VanDerWaalsContact C-N 3.25Å; S209-G211 PolarHBondContact O-N 2.96Å; S209-E212 PolarHBondContact O-N 2.95Å; S209-E212 VanDerWaalsContact O-N 3.15Å; S209-L213 WeakPolarHBondContact O-CB 3.22Å; S209-L213 VanDerWaalsContact O-CG 3.31Å; S209-L213 WeakPolarHBondContact O-CG 3.27Å; S209-L213 PolarHBondContact O-N 2.93Å; S209-L213 WeakPolarHBondContact OG-CD1 3.14Å
210	L	98.4	Very high	97.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-55.9	-40.6	173.4	-71.8	167.4	0	0	0	112.2	Y161 I206 L215 Y218 Q219	Y161-L210 HydrophobicContact CD2-CD1 3.83Å; Y161-L210 HydrophobicContact CD2-CD2 4.4Å; Y161-L210 HydrophobicContact CE2-CD1 3.69Å; Y161-L210 HydrophobicContact CG-CD1 4.49Å; Y161-L210 HydrophobicContact CG-CD2 4.35Å; I206-L210 HydrophobicContact CG2-CD1 3.76Å; I206-L210 HydrophobicContact CG2-CG 4.34Å; I206-L210 VanDerWaalsContact O-CG 3.27Å; I206-L210 WeakPolarHBondContact O-CG 3.45Å; I206-L210 PolarHBondContact O-N 3.14Å; L210-L215 HydrophobicContact CD2-CB 4.06Å; L210-L215 HydrophobicContact CD2-CD1 4.08Å; L210-L215 CarbonylContact O-C 3.6Å; L210-L215 WeakPolarHBondContact O-CA 3.27Å; L210-L215 PolarHBondContact O-N 2.72Å; L210-Y218 HydrophobicContact CD2-CD2 4.13Å; L210-Q219 HydrophobicContact CB-CG 4.4Å
211	G	97.5	Very high	97.7	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.01	8%	0.075	C	C	.	.	H	α-helix	trans	-79.6	-22.9	177.9	0	0	0	0	0	114.9	Y65 L207 K208 S209 R252	Y65-G211 WeakPolarHBondContact OH-CA 3.26Å; L207-G211 PolarHBondContact O-N 2.71Å; K208-G211 PolarHBondContact O-N 3.3Å; S209-G211 VanDerWaalsContact C-N 3.25Å; S209-G211 PolarHBondContact O-N 2.96Å; G211-R252 VanDerWaalsContact C-CD 3.45Å; G211-R252 WeakPolarHBondContact O-CD 3.31Å
212	E	96.4	Very high	97.9	Very high	15 Å²	15	12.2 Å²	12.2	7%	0.07	6%	0.062	C	C	.	.	H	α-helix	trans	-73.7	-39.6	169.7	-87.9	166.6	-120.7	0	0	111.3	Y65 Y69 L127 R128 V144 K148 K208 S209 G214	Y65-E212 HydrophobicContact CE2-CG 4.07Å; Y65-E212 WeakPolarHBondContact CE2-OE1 3.38Å; Y69-E212 VanDerWaalsContact CE2-OE1 3.26Å; Y69-E212 WeakPolarHBondContact CE2-OE1 3.41Å; Y69-E212 PolarHBondContact OH-OE1 2.92Å; L127-E212 WeakPolarHBondContact CA-OE2 3.32Å; L127-E212 WeakPolarHBondContact CD2-OE1 3.23Å; R128-E212 PolarHBondContact N-OE2 3.36Å; V144-E212 WeakPolarHBondContact CG1-O 3.35Å; K148-E212 WeakPolarHBondContact CE-O 3.2Å; K148-E212 PolarHBondContact NZ-O 3.48Å; K208-E212 PolarHBondContact O-N 3.47Å; S209-E212 PolarHBondContact O-N 2.95Å; S209-E212 VanDerWaalsContact O-N 3.15Å; E212-G214 PolarHBondContact O-N 3.47Å
213	L	97.3	Very high	98	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	10.8	-169.1	-62.6	174.7	0	0	0	114.8	P126 L139 F147 K148 L157 S209	P126-L213 HydrophobicContact CG-CD1 4.24Å; L139-L213 HydrophobicContact CD2-CD2 3.74Å; L139-L213 HydrophobicContact CD2-CG 4.47Å; F147-L213 HydrophobicContact CB-CD2 3.75Å; F147-L213 HydrophobicContact CD1-CD1 3.93Å; F147-L213 HydrophobicContact CD1-CD2 3.7Å; F147-L213 HydrophobicContact CD1-CG 4.37Å; F147-L213 HydrophobicContact CE1-CD1 4.17Å; F147-L213 HydrophobicContact CE1-CD2 4.42Å; F147-L213 HydrophobicContact CG-CD2 3.8Å; K148-L213 VanDerWaalsContact CE-C 3.5Å; K148-L213 WeakPolarHBondContact CG-O 3.37Å; L157-L213 HydrophobicContact CD1-CD1 4.15Å; L157-L213 HydrophobicContact CD2-CB 3.66Å; L157-L213 HydrophobicContact CD2-CD1 3.54Å; L157-L213 HydrophobicContact CD2-CG 4.23Å; S209-L213 WeakPolarHBondContact O-CB 3.22Å; S209-L213 VanDerWaalsContact O-CG 3.31Å; S209-L213 WeakPolarHBondContact O-CG 3.27Å; S209-L213 PolarHBondContact O-N 2.93Å; S209-L213 WeakPolarHBondContact OG-CD1 3.14Å
214	G	96	Very high	98	Very high	13 Å²	13	14.5 Å²	14.5	13%	0.134	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	38.5	173.5	0	0	0	0	0	113.8	K148 R154 E212 E216	K148-G214 VanDerWaalsContact CE-N 3.32Å; R154-G214 PolarHBondContact NH2-O 3.46Å; E212-G214 PolarHBondContact O-N 3.47Å; G214-E216 VanDerWaalsContact CA-OE2 3.23Å; G214-E216 WeakPolarHBondContact CA-OE2 3.41Å
215	L	97.6	Very high	98	Very high	6 Å²	6	14.4 Å²	14.4	3%	0.031	7%	0.07	C	C	.	.			trans	-131.1	37.9	175.3	-60.4	179.3	0	0	0	110.6	L157 V158 L210 H217 Y218	L157-L215 HydrophobicContact CB-CD1 4.36Å; L157-L215 HydrophobicContact CD2-CD1 3.49Å; L157-L215 VanDerWaalsContact CD2-CD1 3.49Å; L157-L215 HydrophobicContact CD2-CG 4.41Å; L157-L215 HydrophobicContact CG-CD1 3.73Å; V158-L215 HydrophobicContact CG2-CD1 4.13Å; L210-L215 HydrophobicContact CD2-CB 4.06Å; L210-L215 HydrophobicContact CD2-CD1 4.08Å; L210-L215 CarbonylContact O-C 3.6Å; L210-L215 WeakPolarHBondContact O-CA 3.27Å; L210-L215 PolarHBondContact O-N 2.72Å; L215-H217 PolarHBondContact O-N 2.94Å; L215-H217 VanDerWaalsContact O-N 3.12Å; L215-Y218 HydrophobicContact CB-CD2 3.87Å; L215-Y218 HydrophobicContact CB-CE2 4.16Å; L215-Y218 HydrophobicContact CD1-CE2 4.28Å; L215-Y218 HydrophobicContact CD2-CE2 4.26Å; L215-Y218 HydrophobicContact CG-CE2 4.49Å; L215-Y218 PolarHBondContact O-N 3.35Å
216	E	97.3	Very high	98.1	Very high	67 Å²	67	13 Å²	13	31%	0.313	7%	0.065	S	C	.	.	G	3₁₀ helix	trans	-55	-29.9	-176.6	-66.5	81.2	171.6	0	0	112.8	G214 Y218 Q219 R252	G214-E216 VanDerWaalsContact CA-OE2 3.23Å; G214-E216 WeakPolarHBondContact CA-OE2 3.41Å; E216-Y218 PolarHBondContact O-N 3.06Å; E216-Q219 VanDerWaalsContact O-CB 3.28Å; E216-Q219 WeakPolarHBondContact O-CB 3.43Å; E216-Q219 WeakPolarHBondContact O-CG 3.33Å; E216-Q219 PolarHBondContact O-N 3.23Å; E216-R252 HydrophobicContact CG-CB 4.42Å
217	H	97.7	Very high	98.1	Very high	60 Å²	60	12.9 Å²	12.9	28%	0.278	6%	0.064	S	C	.	.	G	3₁₀ helix	trans	-64.2	-24.4	-175.8	68.5	-72.4	0	0	0	113.8	R175 N176 L215 P221	R175-H217 PolarHBondContact O-NE2 2.91Å; N176-H217 PolarHBondContact O-CD2 2.79Å; L215-H217 PolarHBondContact O-N 2.94Å; L215-H217 VanDerWaalsContact O-N 3.12Å; H217-P221 WeakPolarHBondContact O-CD 3.4Å; H217-P221 WeakPolarHBondContact O-CG 3.5Å
218	Y	98.5	Very high	98.1	Very high	6 Å²	6	15 Å²	15	2%	0.024	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-75.7	-20.3	172.7	-63.9	-62.4	0	0	0	113.8	V158 Y161 L172 R175 G178 L210 L215 E216 L222	V158-Y218 HydrophobicContact CG2-CE2 3.99Å; Y161-Y218 HydrophobicContact CD1-CD1 4.14Å; Y161-Y218 HydrophobicContact CD1-CD2 4.31Å; Y161-Y218 HydrophobicContact CD1-CE1 4.39Å; Y161-Y218 HydrophobicContact CD1-CG 4.11Å; Y161-Y218 AromaticContact CE1-CD1 3.49Å; Y161-Y218 HydrophobicContact CE1-CD1 3.49Å; Y161-Y218 VanDerWaalsContact CE1-CD1 3.49Å; Y161-Y218 HydrophobicContact CE1-CD2 4.25Å; Y161-Y218 HydrophobicContact CE1-CE1 4.09Å; Y161-Y218 AromaticContact CE1-CG 3.6Å; Y161-Y218 HydrophobicContact CE1-CG 3.6Å; L172-Y218 HydrophobicContact CD1-CD1 4.03Å; L172-Y218 HydrophobicContact CD1-CE1 3.9Å; L172-Y218 HydrophobicContact CD2-CE1 3.95Å; R175-Y218 PolarHBondContact O-OH 2.79Å; R175-Y218 VanDerWaalsContact O-OH 3.11Å; G178-Y218 VanDerWaalsContact CA-CD1 3.42Å; L210-Y218 HydrophobicContact CD2-CD2 4.13Å; L215-Y218 HydrophobicContact CB-CD2 3.87Å; L215-Y218 HydrophobicContact CB-CE2 4.16Å; L215-Y218 HydrophobicContact CD1-CE2 4.28Å; L215-Y218 HydrophobicContact CD2-CE2 4.26Å; L215-Y218 HydrophobicContact CG-CE2 4.49Å; L215-Y218 PolarHBondContact O-N 3.35Å; E216-Y218 PolarHBondContact O-N 3.06Å; Y218-L222 WeakPolarHBondContact O-CB 3.39Å; Y218-L222 PolarHBondContact O-N 3.32Å
219	Q	98.7	Very high	98.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.2	-57.2	-174.6	-62.2	-174.5	-44.2	0	0	111.1	Y65 L207 L210 E216 L222 V223 A250 V251	Y65-Q219 PolarHBondContact OH-NE2 2.83Å; L207-Q219 HydrophobicContact CD2-CB 4.31Å; L207-Q219 PolarHBondContact O-NE2 2.72Å; L210-Q219 HydrophobicContact CB-CG 4.4Å; E216-Q219 VanDerWaalsContact O-CB 3.28Å; E216-Q219 WeakPolarHBondContact O-CB 3.43Å; E216-Q219 WeakPolarHBondContact O-CG 3.33Å; E216-Q219 PolarHBondContact O-N 3.23Å; Q219-L222 PolarHBondContact O-N 3.13Å; Q219-V223 VanDerWaalsContact O-CG2 3.24Å; Q219-V223 WeakPolarHBondContact O-CG2 3.1Å; Q219-V223 PolarHBondContact O-N 3.42Å; Q219-A250 PolarHBondContact NE2-O 2.74Å; Q219-A250 PolarHBondContact OE1-O 2.94Å; Q219-V251 HydrophobicContact CB-CG2 4.29Å
220	A	98.5	Very high	98.1	Very high	4 Å²	4	15.3 Å²	15.3	3%	0.033	8%	0.076	C	C	.	.	H	α-helix	trans	-62.9	-43.4	-172.6	0	0	0	0	0	113.9	L222 V223 R224 V251 Q256 L260	A220-L222 PolarHBondContact O-N 2.92Å; A220-V223 PolarHBondContact O-N 2.78Å; A220-R224 WeakPolarHBondContact O-CB 3.32Å; A220-R224 PolarHBondContact O-N 3.18Å; A220-V251 HydrophobicContact CB-CG1 4.18Å; A220-Q256 HydrophobicContact CB-CB 3.79Å; A220-Q256 HydrophobicContact CB-CG 4.06Å; A220-Q256 VanDerWaalsContact CB-OE1 3.27Å; A220-L260 HydrophobicContact CB-CD1 4.03Å
221	P	98.6	Very high	98	Very high	28 Å²	28	15.5 Å²	15.5	18%	0.182	8%	0.077	C	C	.	.	H	α-helix	trans	-62.5	-38.7	175.2	-24.3	35	0	0	0	114.1	G178 V180 H217 R224 F225	G178-P221 WeakPolarHBondContact O-CB 3.4Å; V180-P221 HydrophobicContact CG2-CB 4.49Å; H217-P221 WeakPolarHBondContact O-CD 3.4Å; H217-P221 WeakPolarHBondContact O-CG 3.5Å; P221-R224 WeakPolarHBondContact O-CB 3.08Å; P221-R224 PolarHBondContact O-N 3.27Å; P221-F225 WeakPolarHBondContact O-CB 3.33Å; P221-F225 PolarHBondContact O-N 2.88Å
222	L	98.8	Very high	98.1	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.016	9%	0.093	C	C	.	.	H	α-helix	trans	-68.7	-41.4	177.6	-177.8	60	0	0	0	111.8	Y161 L165 I170 V180 L207 Y218 Q219 A220 F225 F226	Y161-L222 HydrophobicContact CE2-CD2 3.93Å; L165-L222 HydrophobicContact CD2-CD1 3.73Å; L165-L222 HydrophobicContact CD2-CD2 4.29Å; I170-L222 HydrophobicContact CD1-CD1 3.82Å; V180-L222 HydrophobicContact CG2-CD1 4.48Å; L207-L222 HydrophobicContact CD2-CB 4.5Å; L207-L222 HydrophobicContact CD2-CD2 4.05Å; Y218-L222 WeakPolarHBondContact O-CB 3.39Å; Y218-L222 PolarHBondContact O-N 3.32Å; Q219-L222 PolarHBondContact O-N 3.13Å; A220-L222 PolarHBondContact O-N 2.92Å; L222-F225 WeakPolarHBondContact O-CB 3.46Å; L222-F225 PolarHBondContact O-N 3.36Å; L222-F226 HydrophobicContact CD1-CD2 4.03Å; L222-F226 HydrophobicContact CD1-CE2 3.55Å; L222-F226 HydrophobicContact CD1-CZ 4.3Å; L222-F226 HydrophobicContact CD2-CE2 4.23Å; L222-F226 HydrophobicContact CG-CD2 4Å; L222-F226 HydrophobicContact CG-CE2 3.72Å; L222-F226 VanDerWaalsContact O-CD2 3.28Å; L222-F226 WeakPolarHBondContact O-CD2 3.33Å; L222-F226 PolarHBondContact O-N 3.29Å
223	V	98.8	Very high	98.1	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-65.8	-41.8	175.2	176.8	0	0	0	0	110.6	L207 Q219 A220 F225 F226 L227 F247 V251 L260	L207-V223 HydrophobicContact CD1-CG2 3.88Å; L207-V223 HydrophobicContact CD2-CG2 3.87Å; Q219-V223 VanDerWaalsContact O-CG2 3.24Å; Q219-V223 WeakPolarHBondContact O-CG2 3.1Å; Q219-V223 PolarHBondContact O-N 3.42Å; A220-V223 PolarHBondContact O-N 2.78Å; V223-F225 VanDerWaalsContact C-N 3.31Å; V223-F225 PolarHBondContact O-N 3.2Å; V223-F226 PolarHBondContact O-N 3.18Å; V223-L227 HydrophobicContact CG1-CD1 4.05Å; V223-L227 HydrophobicContact CG1-CG 4.43Å; V223-L227 VanDerWaalsContact O-CG 3.29Å; V223-L227 WeakPolarHBondContact O-CG 3.32Å; V223-L227 PolarHBondContact O-N 3.48Å; V223-F247 HydrophobicContact CG1-CB 4.43Å; V223-F247 HydrophobicContact CG2-CB 4.1Å; V223-F247 VanDerWaalsContact CG2-O 3.28Å; V223-F247 WeakPolarHBondContact CG2-O 3.26Å; V223-V251 HydrophobicContact CB-CG2 4.09Å; V223-V251 HydrophobicContact CG1-CG2 4.27Å; V223-V251 HydrophobicContact CG2-CG2 3.72Å; V223-L260 HydrophobicContact CB-CD1 4.17Å; V223-L260 HydrophobicContact CG1-CD1 3.96Å; V223-L260 HydrophobicContact CG1-CD2 4.42Å
224	R	98.6	Very high	98.1	Very high	59 Å²	59	27.5 Å²	27.5	22%	0.223	14%	0.136	C	C	.	.	H	α-helix	trans	-53.1	-47.8	172.8	-172.3	81.3	-168.8	76.9	11.8	111.1	A220 P221 L227 E228 L260 F263	A220-R224 WeakPolarHBondContact O-CB 3.32Å; A220-R224 PolarHBondContact O-N 3.18Å; P221-R224 WeakPolarHBondContact O-CB 3.08Å; P221-R224 PolarHBondContact O-N 3.27Å; R224-L227 PolarHBondContact O-N 3.48Å; R224-E228 IonicContact CZ-OE1 3.45Å; R224-E228 IonicContact NE-OE1 3.65Å; R224-E228 IonicContact NH1-OE1 2.81Å; R224-E228 PolarHBondContact NH1-OE1 3.35Å; R224-E228 IonicContact NH2-OE1 3.48Å; R224-E228 PolarHBondContact NH2-OE1 3.5Å; R224-E228 WeakPolarHBondContact O-CG 3.47Å; R224-E228 PolarHBondContact O-N 2.75Å; R224-L260 HydrophobicContact CB-CD2 3.79Å; R224-L260 HydrophobicContact CG-CD2 4.36Å; R224-F263 VanDerWaalsContact NH1-CD2 3.28Å; R224-F263 VanDerWaalsContact NH1-CG 3.29Å; R224-F263 VanDerWaalsContact NH2-CE2 3.28Å
225	F	98.7	Very high	98.2	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.018	15%	0.15	C	C	.	.	H	α-helix	trans	-61.4	-49.6	177.3	177.7	-88.7	0	0	0	112.4	I170 V180 R182 F190 P221 L222 V223 L227 E228 E229	I170-F225 HydrophobicContact CD1-CD1 3.84Å; I170-F225 HydrophobicContact CD1-CE1 3.5Å; I170-F225 HydrophobicContact CD1-CZ 4.33Å; I170-F225 HydrophobicContact CG1-CD1 4.33Å; I170-F225 HydrophobicContact CG1-CE1 3.57Å; I170-F225 HydrophobicContact CG1-CZ 3.92Å; I170-F225 HydrophobicContact CG2-CE1 4.26Å; I170-F225 HydrophobicContact CG2-CZ 4.23Å; V180-F225 HydrophobicContact CG2-CB 3.82Å; V180-F225 HydrophobicContact CG2-CD2 4.36Å; V180-F225 HydrophobicContact CG2-CG 4.19Å; R182-F225 HydrophobicContact CG-CE2 4.02Å; R182-F225 HydrophobicContact CG-CZ 4.02Å; F190-F225 HydrophobicContact CE1-CE1 4.32Å; F190-F225 HydrophobicContact CE1-CZ 4.28Å; F190-F225 HydrophobicContact CZ-CE1 4.01Å; F190-F225 AromaticContact CZ-CZ 3.79Å; F190-F225 HydrophobicContact CZ-CZ 3.79Å; P221-F225 WeakPolarHBondContact O-CB 3.33Å; P221-F225 PolarHBondContact O-N 2.88Å; L222-F225 WeakPolarHBondContact O-CB 3.46Å; L222-F225 PolarHBondContact O-N 3.36Å; V223-F225 VanDerWaalsContact C-N 3.31Å; V223-F225 PolarHBondContact O-N 3.2Å; F225-L227 VanDerWaalsContact C-N 3.29Å; F225-L227 PolarHBondContact O-N 3.33Å; F225-E228 PolarHBondContact O-N 2.64Å; F225-E228 VanDerWaalsContact O-N 3.14Å; F225-E229 HydrophobicContact CD1-CG 4.28Å; F225-E229 HydrophobicContact CE1-CG 3.95Å; F225-E229 HydrophobicContact CZ-CG 4.11Å; F225-E229 PolarHBondContact O-N 3Å
226	F	98.7	Very high	98.2	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-62.4	-34.8	177.1	-76.7	-61	0	0	0	112.7	I170 L193 I203 L222 V223 E229 T230 L236 V239 A243 F247	I170-F226 HydrophobicContact CD1-CE1 4.16Å; I170-F226 HydrophobicContact CD1-CE2 4.29Å; I170-F226 HydrophobicContact CD1-CZ 3.71Å; L193-F226 HydrophobicContact CD1-CE1 4.36Å; I203-F226 HydrophobicContact CD1-CE1 4.15Å; I203-F226 HydrophobicContact CD1-CE2 4.16Å; I203-F226 HydrophobicContact CD1-CZ 3.6Å; I203-F226 HydrophobicContact CG1-CE2 4.47Å; I203-F226 HydrophobicContact CG1-CZ 4.24Å; I203-F226 HydrophobicContact CG2-CD2 4.42Å; I203-F226 HydrophobicContact CG2-CE2 3.77Å; I203-F226 HydrophobicContact CG2-CZ 4.33Å; L222-F226 HydrophobicContact CD1-CD2 4.03Å; L222-F226 HydrophobicContact CD1-CE2 3.55Å; L222-F226 HydrophobicContact CD1-CZ 4.3Å; L222-F226 HydrophobicContact CD2-CE2 4.23Å; L222-F226 HydrophobicContact CG-CD2 4Å; L222-F226 HydrophobicContact CG-CE2 3.72Å; L222-F226 VanDerWaalsContact O-CD2 3.28Å; L222-F226 WeakPolarHBondContact O-CD2 3.33Å; L222-F226 PolarHBondContact O-N 3.29Å; V223-F226 PolarHBondContact O-N 3.18Å; F226-E229 PolarHBondContact O-N 3.48Å; F226-T230 VanDerWaalsContact O-CB 3.29Å; F226-T230 WeakPolarHBondContact O-CB 3.4Å; F226-T230 WeakPolarHBondContact O-CG2 3.47Å; F226-T230 PolarHBondContact O-N 3.1Å; F226-T230 PolarHBondContact O-OG1 2.92Å; F226-L236 HydrophobicContact CD1-CD1 3.8Å; F226-L236 HydrophobicContact CE1-CD1 3.91Å; F226-V239 HydrophobicContact CD1-CG1 3.89Å; F226-V239 HydrophobicContact CE1-CG1 4.31Å; F226-V239 HydrophobicContact CG-CG1 4.46Å; F226-A243 HydrophobicContact CB-CB 4.49Å; F226-F247 HydrophobicContact CB-CD2 4.18Å; F226-F247 HydrophobicContact CD1-CE2 4.46Å; F226-F247 AromaticContact CD2-CD2 3.87Å; F226-F247 HydrophobicContact CD2-CD2 3.87Å; F226-F247 AromaticContact CD2-CE2 3.97Å; F226-F247 HydrophobicContact CD2-CE2 3.97Å; F226-F247 HydrophobicContact CE2-CE2 4.28Å; F226-F247 HydrophobicContact CG-CD2 4.09Å; F226-F247 HydrophobicContact CG-CE2 4.07Å
227	L	98.6	Very high	98.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.8	-38.2	173.8	-65.6	168.8	0	0	0	112.1	V223 R224 F225 T230 L231 A243 L244 L248 L260 F263 A264	V223-L227 HydrophobicContact CG1-CD1 4.05Å; V223-L227 HydrophobicContact CG1-CG 4.43Å; V223-L227 VanDerWaalsContact O-CG 3.29Å; V223-L227 WeakPolarHBondContact O-CG 3.32Å; V223-L227 PolarHBondContact O-N 3.48Å; R224-L227 PolarHBondContact O-N 3.48Å; F225-L227 VanDerWaalsContact C-N 3.29Å; F225-L227 PolarHBondContact O-N 3.33Å; L227-T230 WeakPolarHBondContact CA-OG1 3.41Å; L227-T230 PolarHBondContact O-OG1 2.78Å; L227-L231 HydrophobicContact CB-CD1 4.46Å; L227-L231 HydrophobicContact CD2-CD1 3.98Å; L227-L231 VanDerWaalsContact O-CB 3.23Å; L227-L231 WeakPolarHBondContact O-CB 3.46Å; L227-L231 WeakPolarHBondContact O-CG 3.21Å; L227-L231 PolarHBondContact O-N 3.19Å; L227-A243 HydrophobicContact CD2-CB 4.45Å; L227-L244 HydrophobicContact CD2-CD2 4.15Å; L227-L248 HydrophobicContact CD1-CD1 3.93Å; L227-L260 HydrophobicContact CD1-CB 4.11Å; L227-L260 HydrophobicContact CD1-CD2 3.92Å; L227-F263 HydrophobicContact CB-CD1 3.89Å; L227-F263 HydrophobicContact CB-CE1 3.74Å; L227-F263 HydrophobicContact CD1-CD1 4.31Å; L227-A264 HydrophobicContact CD2-CB 4.16Å
228	E	98.6	Very high	98.1	Very high	44 Å²	44	31.4 Å²	31.4	21%	0.206	16%	0.162	C	C	.	.	H	α-helix	trans	-62.9	-45.6	172.7	-72.4	176.8	169.3	0	0	111.4	R224 F225 T230 V232 Q233 F263 R292	R224-E228 IonicContact CZ-OE1 3.45Å; R224-E228 IonicContact NE-OE1 3.65Å; R224-E228 IonicContact NH1-OE1 2.81Å; R224-E228 PolarHBondContact NH1-OE1 3.35Å; R224-E228 IonicContact NH2-OE1 3.48Å; R224-E228 PolarHBondContact NH2-OE1 3.5Å; R224-E228 WeakPolarHBondContact O-CG 3.47Å; R224-E228 PolarHBondContact O-N 2.75Å; F225-E228 PolarHBondContact O-N 2.64Å; F225-E228 VanDerWaalsContact O-N 3.14Å; E228-T230 PolarHBondContact O-N 3.45Å; E228-V232 WeakPolarHBondContact O-CA 3.47Å; E228-V232 WeakPolarHBondContact O-CB 3.32Å; E228-V232 PolarHBondContact O-N 3.44Å; E228-Q233 PolarHBondContact O-N 3.39Å; E228-F263 HydrophobicContact CG-CE1 4.29Å; E228-F263 HydrophobicContact CG-CZ 3.85Å; E228-R292 IonicContact OE2-NH1 2.69Å; E228-R292 PolarHBondContact OE2-NH1 3.17Å
229	E	98.3	Very high	98.1	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.037	16%	0.161	C	C	.	.	H	α-helix	trans	-71.1	-27	-179.1	-65.9	-57.7	162.9	0	0	114.5	R182 F190 F225 F226 Q233 H234 K235 L236	R182-E229 IonicContact CZ-OE1 2.64Å; R182-E229 IonicContact CZ-OE2 3Å; R182-E229 IonicContact NE-OE1 2.66Å; R182-E229 PolarHBondContact NE-OE1 3.12Å; R182-E229 IonicContact NE-OE2 2.78Å; R182-E229 VanDerWaalsContact NH2-CD 3.26Å; R182-E229 IonicContact NH2-OE1 3.15Å; R182-E229 PolarHBondContact NH2-OE1 2.7Å; R182-E229 IonicContact NH2-OE2 2.79Å; R182-E229 PolarHBondContact NH2-OE2 2.92Å; F190-E229 HydrophobicContact CE2-CG 3.97Å; F190-E229 HydrophobicContact CZ-CG 3.93Å; F225-E229 HydrophobicContact CD1-CG 4.28Å; F225-E229 HydrophobicContact CE1-CG 3.95Å; F225-E229 HydrophobicContact CZ-CG 4.11Å; F225-E229 PolarHBondContact O-N 3Å; F226-E229 PolarHBondContact O-N 3.48Å; E229-Q233 WeakPolarHBondContact OE2-CB 3.44Å; E229-H234 CarbonylContact O-C 3.57Å; E229-H234 WeakPolarHBondContact O-CA 3.37Å; E229-H234 PolarHBondContact O-N 3.02Å; E229-H234 VanDerWaalsContact O-N 3.14Å; E229-K235 PolarHBondContact O-N 3.18Å; E229-K235 WeakPolarHBondContact OE2-CG 3.39Å; E229-L236 HydrophobicContact CB-CB 4.45Å; E229-L236 HydrophobicContact CB-CD1 3.81Å; E229-L236 HydrophobicContact CB-CG 4.11Å; E229-L236 HydrophobicContact CG-CD1 4.36Å; E229-L236 PolarHBondContact O-N 3.41Å
230	T	98.1	Very high	98	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.012	17%	0.171	C	C	.	.	H	α-helix	trans	-93.1	-38.8	-179.3	56.6	0	0	0	0	113.1	F226 L227 E228 H234 L236 V239 R240 A243	F226-T230 VanDerWaalsContact O-CB 3.29Å; F226-T230 WeakPolarHBondContact O-CB 3.4Å; F226-T230 WeakPolarHBondContact O-CG2 3.47Å; F226-T230 PolarHBondContact O-N 3.1Å; F226-T230 PolarHBondContact O-OG1 2.92Å; L227-T230 WeakPolarHBondContact CA-OG1 3.41Å; L227-T230 PolarHBondContact O-OG1 2.78Å; E228-T230 PolarHBondContact O-N 3.45Å; T230-H234 PolarHBondContact O-ND1 3.43Å; T230-L236 HydrophobicContact CG2-CB 4.07Å; T230-L236 WeakPolarHBondContact CG2-O 3.38Å; T230-V239 HydrophobicContact CG2-CB 4.11Å; T230-V239 HydrophobicContact CG2-CG1 4.36Å; T230-R240 HydrophobicContact CG2-CB 4.08Å; T230-A243 HydrophobicContact CG2-CB 4.31Å
231	L	97.9	Very high	97.8	Very high	4 Å²	4	38 Å²	38	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-103.9	-18.3	-172	-51.6	-178.7	0	0	0	114.7	L227 H234 R240 L244 A264 H267 F268	L227-L231 HydrophobicContact CB-CD1 4.46Å; L227-L231 HydrophobicContact CD2-CD1 3.98Å; L227-L231 VanDerWaalsContact O-CB 3.23Å; L227-L231 WeakPolarHBondContact O-CB 3.46Å; L227-L231 WeakPolarHBondContact O-CG 3.21Å; L227-L231 PolarHBondContact O-N 3.19Å; L231-H234 VanDerWaalsContact C-CE1 3.45Å; L231-H234 PolarHBondContact O-CE1 3.49Å; L231-R240 HydrophobicContact CD2-CG 4.14Å; L231-L244 HydrophobicContact CD1-CD2 4.35Å; L231-L244 HydrophobicContact CD2-CD1 4.45Å; L231-A264 HydrophobicContact CD1-CB 3.95Å; L231-H267 HydrophobicContact CB-CB 3.9Å; L231-F268 HydrophobicContact CD2-CD2 4.38Å
232	V	97.9	Very high	97.8	Very high	58 Å²	58	37.5 Å²	37.5	35%	0.352	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-49.4	-177.2	-169.3	0	0	0	0	112.3	E228 F263 H267	E228-V232 WeakPolarHBondContact O-CA 3.47Å; E228-V232 WeakPolarHBondContact O-CB 3.32Å; E228-V232 PolarHBondContact O-N 3.44Å; V232-F263 HydrophobicContact CG2-CE1 4.42Å; V232-F263 HydrophobicContact CG2-CZ 3.69Å; V232-H267 HydrophobicContact CG2-CB 4.06Å; V232-H267 WeakPolarHBondContact CG2-ND1 3.38Å
233	Q	97.4	Very high	97.7	Very high	89 Å²	89	37.4 Å²	37.4	42%	0.416	19%	0.186	S	C	.	.	S	Bend	trans	-89.2	-17.2	-177.2	-56.9	-74.8	-48.2	0	0	112.7	R182 E228 E229 K235	R182-Q233 VanDerWaalsContact NH2-OE1 3.08Å; E228-Q233 PolarHBondContact O-N 3.39Å; E229-Q233 WeakPolarHBondContact OE2-CB 3.44Å; Q233-K235 HydrophobicContact CB-CG 3.96Å; Q233-K235 PolarHBondContact O-N 2.96Å
234	H	97	Very high	97.6	Very high	121 Å²	121	37.3 Å²	37.3	56%	0.56	19%	0.186	S	C	*	.			trans	49	38.7	-178.9	-54.3	-47.3	0	0	0	114.2	E229 T230 L231	E229-H234 CarbonylContact O-C 3.57Å; E229-H234 WeakPolarHBondContact O-CA 3.37Å; E229-H234 PolarHBondContact O-N 3.02Å; E229-H234 VanDerWaalsContact O-N 3.14Å; T230-H234 PolarHBondContact O-ND1 3.43Å; L231-H234 VanDerWaalsContact C-CE1 3.45Å; L231-H234 PolarHBondContact O-CE1 3.49Å
235	K	97.6	Very high	97.5	Very high	97 Å²	97	34.7 Å²	34.7	42%	0.422	18%	0.176	S	C	.	.			trans	-92	-21	180	-58.5	-54	-179.3	-171.8	0	114.2	F190 N194 E229 Q233 P237	F190-K235 HydrophobicContact CD2-CB 3.82Å; F190-K235 HydrophobicContact CE2-CB 4.04Å; N194-K235 PolarHBondContact ND2-O 2.91Å; E229-K235 PolarHBondContact O-N 3.18Å; E229-K235 WeakPolarHBondContact OE2-CG 3.39Å; Q233-K235 HydrophobicContact CB-CG 3.96Å; Q233-K235 PolarHBondContact O-N 2.96Å; K235-P237 WeakPolarHBondContact O-CD 3.08Å
236	L	97.9	Very high	97.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.			trans	-121.1	55.3	-177.9	-64.9	177.8	0	0	0	112.9	F190 L193 F226 E229 T230 S238 V239 R240	F190-L236 HydrophobicContact CB-CD2 3.77Å; F190-L236 HydrophobicContact CD1-CD2 4.07Å; F190-L236 HydrophobicContact CD2-CD2 3.97Å; F190-L236 HydrophobicContact CD2-CG 4.13Å; F190-L236 HydrophobicContact CE1-CD1 4.34Å; F190-L236 HydrophobicContact CE2-CD1 4.41Å; F190-L236 HydrophobicContact CE2-CG 4.31Å; F190-L236 HydrophobicContact CG-CD2 3.67Å; F190-L236 HydrophobicContact CG-CG 4.29Å; F190-L236 HydrophobicContact CZ-CD1 4.28Å; L193-L236 HydrophobicContact CB-CD2 3.88Å; L193-L236 HydrophobicContact CD1-CD1 4.18Å; L193-L236 HydrophobicContact CD1-CD2 3.94Å; F226-L236 HydrophobicContact CD1-CD1 3.8Å; F226-L236 HydrophobicContact CE1-CD1 3.91Å; E229-L236 HydrophobicContact CB-CB 4.45Å; E229-L236 HydrophobicContact CB-CD1 3.81Å; E229-L236 HydrophobicContact CB-CG 4.11Å; E229-L236 HydrophobicContact CG-CD1 4.36Å; E229-L236 PolarHBondContact O-N 3.41Å; T230-L236 HydrophobicContact CG2-CB 4.07Å; T230-L236 WeakPolarHBondContact CG2-O 3.38Å; L236-S238 VanDerWaalsContact C-N 3.26Å; L236-S238 PolarHBondContact O-N 2.79Å; L236-V239 HydrophobicContact CB-CB 3.96Å; L236-V239 HydrophobicContact CB-CG2 3.9Å; L236-V239 HydrophobicContact CD1-CG2 4.42Å; L236-V239 HydrophobicContact CD2-CG2 4.41Å; L236-V239 HydrophobicContact CG-CG2 4.49Å; L236-V239 PolarHBondContact O-N 2.78Å; L236-R240 PolarHBondContact O-N 2.95Å
237	P	96.8	Very high	97.4	Very high	90 Å²	90	35 Å²	35	58%	0.584	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-33	-178.3	21.2	-33.9	0	0	0	115	N194 K235 V239 R240	N194-P237 WeakPolarHBondContact OD1-CD 3.4Å; N194-P237 WeakPolarHBondContact OD1-CG 3.29Å; K235-P237 WeakPolarHBondContact O-CD 3.08Å; P237-V239 VanDerWaalsContact C-N 3.29Å; P237-V239 PolarHBondContact O-N 3.06Å; P237-R240 PolarHBondContact O-N 3.28Å
238	S	96.2	Very high	97.4	Very high	40 Å²	40	35 Å²	35	28%	0.28	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-34.5	176.1	72.4	0	0	0	0	112.9	L193 N194 L236	L193-S238 PolarHBondContact O-OG 3.29Å; N194-S238 WeakPolarHBondContact CA-OG 3.45Å; N194-S238 PolarHBondContact OD1-N 3.44Å; L236-S238 VanDerWaalsContact C-N 3.26Å; L236-S238 PolarHBondContact O-N 2.79Å
239	V	97.6	Very high	97.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-21.5	-172.9	-176.2	0	0	0	0	111	L193 F226 T230 L236 P237 Q241 S242 A243 F247	L193-V239 HydrophobicContact CB-CG2 4.37Å; F226-V239 HydrophobicContact CD1-CG1 3.89Å; F226-V239 HydrophobicContact CE1-CG1 4.31Å; F226-V239 HydrophobicContact CG-CG1 4.46Å; T230-V239 HydrophobicContact CG2-CB 4.11Å; T230-V239 HydrophobicContact CG2-CG1 4.36Å; L236-V239 HydrophobicContact CB-CB 3.96Å; L236-V239 HydrophobicContact CB-CG2 3.9Å; L236-V239 HydrophobicContact CD1-CG2 4.42Å; L236-V239 HydrophobicContact CD2-CG2 4.41Å; L236-V239 HydrophobicContact CG-CG2 4.49Å; L236-V239 PolarHBondContact O-N 2.78Å; P237-V239 VanDerWaalsContact C-N 3.29Å; P237-V239 PolarHBondContact O-N 3.06Å; V239-Q241 VanDerWaalsContact C-N 3.29Å; V239-Q241 PolarHBondContact O-N 3Å; V239-Q241 VanDerWaalsContact O-N 3.16Å; V239-S242 PolarHBondContact O-N 3.43Å; V239-S242 VanDerWaalsContact O-N 3.14Å; V239-A243 HydrophobicContact CG1-CB 4.5Å; V239-A243 WeakPolarHBondContact O-CB 3.49Å; V239-A243 PolarHBondContact O-N 3.42Å; V239-F247 HydrophobicContact CG1-CD2 4.47Å; V239-F247 HydrophobicContact CG1-CE2 3.49Å; V239-F247 VanDerWaalsContact CG1-CE2 3.49Å; V239-F247 HydrophobicContact CG1-CZ 4.04Å
240	R	97.2	Very high	97.2	Very high	59 Å²	59	32.5 Å²	32.5	22%	0.223	17%	0.166	C	C	.	.	H	α-helix	trans	-51.6	-42.8	-173.4	-179.1	176.4	171.1	137.1	-10.8	113.7	T230 L231 L236 P237 L244 F268	T230-R240 HydrophobicContact CG2-CB 4.08Å; L231-R240 HydrophobicContact CD2-CG 4.14Å; L236-R240 PolarHBondContact O-N 2.95Å; P237-R240 PolarHBondContact O-N 3.28Å; R240-L244 HydrophobicContact CG-CD1 4.11Å; R240-L244 WeakPolarHBondContact O-CG 3.46Å; R240-L244 PolarHBondContact O-N 2.87Å; R240-F268 VanDerWaalsContact NH2-CD2 3.28Å
241	Q	95.5	Very high	97.2	Very high	89 Å²	89	32.4 Å²	32.4	42%	0.416	17%	0.165	S	C	.	.	H	α-helix	trans	-69.2	-47.3	-178.5	-167.2	63.5	30.9	0	0	111.1	V239 A243 L244 D245	V239-Q241 VanDerWaalsContact C-N 3.29Å; V239-Q241 PolarHBondContact O-N 3Å; V239-Q241 VanDerWaalsContact O-N 3.16Å; Q241-A243 VanDerWaalsContact C-N 3.31Å; Q241-A243 PolarHBondContact O-N 2.66Å; Q241-L244 PolarHBondContact O-N 2.97Å; Q241-D245 VanDerWaalsContact NE2-CG 3.34Å; Q241-D245 PolarHBondContact NE2-OD1 2.95Å; Q241-D245 PolarHBondContact NE2-OD2 3.41Å; Q241-D245 WeakPolarHBondContact O-CB 3.42Å; Q241-D245 PolarHBondContact O-N 2.99Å
242	S	97.2	Very high	97.1	Very high	19 Å²	19	35.1 Å²	35.1	13%	0.133	18%	0.175	C	C	.	.	H	α-helix	trans	-65.8	-32.5	176.6	-58.3	0	0	0	0	112.9	N200 V239 L244 Y246 F247	N200-S242 WeakPolarHBondContact CB-OG 3.29Å; V239-S242 PolarHBondContact O-N 3.43Å; V239-S242 VanDerWaalsContact O-N 3.14Å; S242-L244 VanDerWaalsContact C-N 3.32Å; S242-L244 PolarHBondContact O-N 3.36Å; S242-Y246 WeakPolarHBondContact O-CA 3.46Å; S242-Y246 WeakPolarHBondContact O-CB 3.45Å; S242-Y246 PolarHBondContact O-N 3.45Å; S242-F247 WeakPolarHBondContact O-CD1 3.41Å; S242-F247 PolarHBondContact O-N 3.35Å
243	A	97.9	Very high	97	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	I	π-helix	trans	-61.5	-39.2	173.9	0	0	0	0	0	112.4	F226 L227 T230 V239 Q241 F247 L248	F226-A243 HydrophobicContact CB-CB 4.49Å; L227-A243 HydrophobicContact CD2-CB 4.45Å; T230-A243 HydrophobicContact CG2-CB 4.31Å; V239-A243 HydrophobicContact CG1-CB 4.5Å; V239-A243 WeakPolarHBondContact O-CB 3.49Å; V239-A243 PolarHBondContact O-N 3.42Å; Q241-A243 VanDerWaalsContact C-N 3.31Å; Q241-A243 PolarHBondContact O-N 2.66Å; A243-F247 HydrophobicContact CB-CD2 4Å; A243-F247 HydrophobicContact CB-CE2 4.45Å; A243-L248 WeakPolarHBondContact O-CB 3.33Å; A243-L248 PolarHBondContact O-N 3.5Å
244	L	97	Very high	96.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	I	π-helix	trans	-84.7	-44.1	-179.8	-67.4	167.5	0	0	0	112.9	L227 L231 R240 Q241 S242 F249 A264 F268 F274 W276	L227-L244 HydrophobicContact CD2-CD2 4.15Å; L231-L244 HydrophobicContact CD1-CD2 4.35Å; L231-L244 HydrophobicContact CD2-CD1 4.45Å; R240-L244 HydrophobicContact CG-CD1 4.11Å; R240-L244 WeakPolarHBondContact O-CG 3.46Å; R240-L244 PolarHBondContact O-N 2.87Å; Q241-L244 PolarHBondContact O-N 2.97Å; S242-L244 VanDerWaalsContact C-N 3.32Å; S242-L244 PolarHBondContact O-N 3.36Å; L244-F249 WeakPolarHBondContact O-CD2 3.36Å; L244-F249 VanDerWaalsContact O-CE2 3.26Å; L244-F249 WeakPolarHBondContact O-CE2 3.41Å; L244-A264 HydrophobicContact CD2-CB 3.98Å; L244-F268 HydrophobicContact CD1-CD2 3.83Å; L244-F268 HydrophobicContact CD1-CE2 3.7Å; L244-F274 HydrophobicContact CD2-CE2 4.4Å; L244-W276 HydrophobicContact CB-CD2 4.11Å; L244-W276 HydrophobicContact CB-CH2 4.45Å; L244-W276 HydrophobicContact CB-CZ2 3.91Å; L244-W276 HydrophobicContact CD1-CE3 4.47Å; L244-W276 HydrophobicContact CD1-CH2 3.81Å; L244-W276 HydrophobicContact CD1-CZ2 4.08Å; L244-W276 HydrophobicContact CD1-CZ3 4.02Å; L244-W276 HydrophobicContact CD2-CE3 4.46Å
245	D	96	Very high	96.6	Very high	3 Å²	3	30 Å²	30	2%	0.016	15%	0.151	C	C	.	.	I	π-helix	trans	-77.2	-39.9	-176.6	-78.6	-18.8	0	0	0	113.4	N55 A58 Q241 W276	N55-D245 HydrophobicContact CB-CB 4.3Å; N55-D245 VanDerWaalsContact CB-CG 3.47Å; N55-D245 WeakPolarHBondContact CB-OD2 3.32Å; N55-D245 PolarHBondContact ND2-OD2 2.8Å; A58-D245 HydrophobicContact CB-CB 3.82Å; Q241-D245 VanDerWaalsContact NE2-CG 3.34Å; Q241-D245 PolarHBondContact NE2-OD1 2.95Å; Q241-D245 PolarHBondContact NE2-OD2 3.41Å; Q241-D245 WeakPolarHBondContact O-CB 3.42Å; Q241-D245 PolarHBondContact O-N 2.99Å; D245-W276 PolarHBondContact OD1-NE1 2.73Å
246	Y	97.3	Very high	96.5	Very high	11 Å²	11	28.1 Å²	28.1	4%	0.043	14%	0.143	C	C	.	.	I	π-helix	trans	-113.2	-60.6	-172.8	-69.2	-90.1	0	0	0	112.4	A58 M62 T204 S242 L248 F249 A250	A58-Y246 HydrophobicContact CB-CD1 4.07Å; A58-Y246 HydrophobicContact CB-CD2 3.93Å; A58-Y246 HydrophobicContact CB-CE1 3.69Å; A58-Y246 HydrophobicContact CB-CE2 3.53Å; A58-Y246 HydrophobicContact CB-CG 4.19Å; M62-Y246 HydrophobicContact CE-CD1 4.14Å; M62-Y246 HydrophobicContact CG-CD1 4.28Å; M62-Y246 HydrophobicContact SD-CD1 4.42Å; M62-Y246 VanDerWaalsContact SD-O 3.34Å; T204-Y246 HydrophobicContact CG2-CD1 4.05Å; T204-Y246 HydrophobicContact CG2-CG 4.47Å; S242-Y246 WeakPolarHBondContact O-CA 3.46Å; S242-Y246 WeakPolarHBondContact O-CB 3.45Å; S242-Y246 PolarHBondContact O-N 3.45Å; Y246-L248 VanDerWaalsContact C-N 3.3Å; Y246-L248 PolarHBondContact O-N 2.88Å; Y246-F249 CarbonylContact O-C 3.57Å; Y246-F249 PolarHBondContact O-N 2.61Å; Y246-A250 PolarHBondContact O-N 3.33Å
247	F	98.4	Very high	96.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	I	π-helix	trans	-61.5	-41.1	-166.3	-54.3	-5.7	0	0	0	111.5	N200 I203 T204 L207 V223 F226 V239 S242 A243 F249 A250	N200-F247 HydrophobicContact CB-CZ 4.28Å; N200-F247 WeakPolarHBondContact O-CE1 3.4Å; I203-F247 HydrophobicContact CB-CE1 3.91Å; I203-F247 HydrophobicContact CB-CE2 4.23Å; I203-F247 HydrophobicContact CB-CZ 3.65Å; I203-F247 HydrophobicContact CD1-CE2 4.22Å; I203-F247 HydrophobicContact CD1-CZ 3.98Å; I203-F247 HydrophobicContact CG1-CZ 4.43Å; I203-F247 HydrophobicContact CG2-CD1 4.06Å; I203-F247 HydrophobicContact CG2-CD2 3.98Å; I203-F247 HydrophobicContact CG2-CE1 3.68Å; I203-F247 HydrophobicContact CG2-CE2 3.57Å; I203-F247 HydrophobicContact CG2-CG 4.24Å; I203-F247 HydrophobicContact CG2-CZ 3.44Å; I203-F247 VanDerWaalsContact CG2-CZ 3.44Å; T204-F247 WeakPolarHBondContact OG1-CE1 3.33Å; L207-F247 HydrophobicContact CD1-CB 3.62Å; L207-F247 HydrophobicContact CD1-CD1 4.01Å; L207-F247 HydrophobicContact CD1-CG 3.81Å; V223-F247 HydrophobicContact CG1-CB 4.43Å; V223-F247 HydrophobicContact CG2-CB 4.1Å; V223-F247 VanDerWaalsContact CG2-O 3.28Å; V223-F247 WeakPolarHBondContact CG2-O 3.26Å; F226-F247 HydrophobicContact CB-CD2 4.18Å; F226-F247 HydrophobicContact CD1-CE2 4.46Å; F226-F247 AromaticContact CD2-CD2 3.87Å; F226-F247 HydrophobicContact CD2-CD2 3.87Å; F226-F247 AromaticContact CD2-CE2 3.97Å; F226-F247 HydrophobicContact CD2-CE2 3.97Å; F226-F247 HydrophobicContact CE2-CE2 4.28Å; F226-F247 HydrophobicContact CG-CD2 4.09Å; F226-F247 HydrophobicContact CG-CE2 4.07Å; V239-F247 HydrophobicContact CG1-CD2 4.47Å; V239-F247 HydrophobicContact CG1-CE2 3.49Å; V239-F247 VanDerWaalsContact CG1-CE2 3.49Å; V239-F247 HydrophobicContact CG1-CZ 4.04Å; S242-F247 WeakPolarHBondContact O-CD1 3.41Å; S242-F247 PolarHBondContact O-N 3.35Å; A243-F247 HydrophobicContact CB-CD2 4Å; A243-F247 HydrophobicContact CB-CE2 4.45Å; F247-F249 PolarHBondContact O-N 3.45Å; F247-A250 PolarHBondContact O-N 3.5Å
248	L	97.1	Very high	96.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-52.7	-37.4	173.8	-168.8	62.3	0	0	0	113.6	L227 A243 Y246 L260 V261 W276	L227-L248 HydrophobicContact CD1-CD1 3.93Å; A243-L248 WeakPolarHBondContact O-CB 3.33Å; A243-L248 PolarHBondContact O-N 3.5Å; Y246-L248 VanDerWaalsContact C-N 3.3Å; Y246-L248 PolarHBondContact O-N 2.88Å; L248-L260 HydrophobicContact CD1-CB 3.56Å; L248-V261 HydrophobicContact CD1-CG2 3.99Å; L248-V261 HydrophobicContact CD2-CB 4.5Å; L248-V261 HydrophobicContact CD2-CG2 3.79Å; L248-V261 HydrophobicContact CG-CG2 3.81Å; L248-W276 HydrophobicContact CD2-CB 4.29Å
249	F	97	Very high	96.3	Very high	1 Å²	1	25.3 Å²	25.3	0%	0.004	12%	0.116	C	C	.	.	H	α-helix	trans	-102	-8.3	-173.5	-63.2	-77.8	0	0	0	114	D7 R54 M62 R66 L244 Y246 F247 V251 V261 W276	D7-F249 WeakPolarHBondContact OD2-CD1 3.23Å; D7-F249 WeakPolarHBondContact OD2-CE1 3.38Å; R54-F249 VanDerWaalsContact NH2-CD2 3.3Å; R54-F249 VanDerWaalsContact NH2-CE2 3.27Å; R54-F249 VanDerWaalsContact NH2-CZ 3.32Å; M62-F249 HydrophobicContact CB-CB 3.56Å; M62-F249 HydrophobicContact CG-CB 3.81Å; M62-F249 HydrophobicContact SD-CB 4.48Å; R66-F249 WeakPolarHBondContact CD-O 3.3Å; R66-F249 PolarHBondContact NE-O 2.81Å; L244-F249 WeakPolarHBondContact O-CD2 3.36Å; L244-F249 VanDerWaalsContact O-CE2 3.26Å; L244-F249 WeakPolarHBondContact O-CE2 3.41Å; Y246-F249 CarbonylContact O-C 3.57Å; Y246-F249 PolarHBondContact O-N 2.61Å; F247-F249 PolarHBondContact O-N 3.45Å; F249-V251 PolarHBondContact O-N 2.92Å; F249-V261 HydrophobicContact CE1-CG2 4.31Å; F249-V261 HydrophobicContact CZ-CG2 4.29Å; F249-W276 HydrophobicContact CE2-CB 4.07Å; F249-W276 AromaticContact CE2-CD1 3.84Å; F249-W276 HydrophobicContact CE2-CG 4.32Å; F249-W276 HydrophobicContact CZ-CB 3.96Å
250	A	97.4	Very high	96.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-71.6	-15.4	166.1	0	0	0	0	0	112.6	M62 Y65 L207 Q219 Y246 F247 R252	M62-A250 HydrophobicContact SD-CB 3.77Å; M62-A250 PolarHBondContact SD-N 3.22Å; Y65-A250 WeakPolarHBondContact CE1-O 3.27Å; L207-A250 HydrophobicContact CB-CB 3.78Å; L207-A250 HydrophobicContact CD1-CB 4.34Å; Q219-A250 PolarHBondContact NE2-O 2.74Å; Q219-A250 PolarHBondContact OE1-O 2.94Å; Y246-A250 PolarHBondContact O-N 3.33Å; F247-A250 PolarHBondContact O-N 3.5Å; A250-R252 PolarHBondContact O-N 3.41Å
251	V	97.9	Very high	96.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.106	C	C	.	.			trans	-70.1	110.8	175.3	-176.7	0	0	0	0	110.1	Q219 A220 V223 F249 C253 Q256 R257 L260	Q219-V251 HydrophobicContact CB-CG2 4.29Å; A220-V251 HydrophobicContact CB-CG1 4.18Å; V223-V251 HydrophobicContact CB-CG2 4.09Å; V223-V251 HydrophobicContact CG1-CG2 4.27Å; V223-V251 HydrophobicContact CG2-CG2 3.72Å; F249-V251 PolarHBondContact O-N 2.92Å; V251-C253 HydrophobicContact CG1-CB 4.48Å; V251-Q256 HydrophobicContact CG1-CB 4.14Å; V251-R257 HydrophobicContact CB-CB 4.17Å; V251-R257 HydrophobicContact CG1-CB 4.22Å; V251-R257 WeakPolarHBondContact O-CD 3.3Å; V251-R257 PolarHBondContact O-NE 3.48Å; V251-L260 HydrophobicContact CB-CD1 4.49Å; V251-L260 HydrophobicContact CG1-CD1 4.39Å; V251-L260 HydrophobicContact CG2-CD1 3.79Å
252	R	95.3	Very high	96.3	Very high	61 Å²	61	19 Å²	19	23%	0.23	9%	0.089	C	C	.	.			trans	-68.3	-44.8	-178.1	-65.1	-174	67.9	81.8	2.2	111.7	Y65 N68 G211 E216 A250 R254	Y65-R252 HydrophobicContact CE1-CG 3.77Å; Y65-R252 PolarHBondContact O-NH1 2.9Å; Y65-R252 WeakPolarHBondContact OH-CD 3.44Å; Y65-R252 WeakPolarHBondContact OH-CG 3.41Å; N68-R252 PolarHBondContact OD1-NH2 3.33Å; G211-R252 VanDerWaalsContact C-CD 3.45Å; G211-R252 WeakPolarHBondContact O-CD 3.31Å; E216-R252 HydrophobicContact CG-CB 4.42Å; A250-R252 PolarHBondContact O-N 3.41Å; R252-R254 PolarHBondContact O-N 3.32Å; R252-R254 VanDerWaalsContact O-N 3.1Å
253	C	94.7	Very high	96.3	Very high	49 Å²	49	19.1 Å²	19.1	33%	0.331	9%	0.087	S	C	.	.			trans	-58.4	114.6	178.6	-178.5	0	0	0	0	111.1	V251 H255 Q256 R257	V251-C253 HydrophobicContact CG1-CB 4.48Å; C253-H255 PolarHBondContact O-N 2.96Å; C253-Q256 HydrophobicContact CB-CB 4.11Å; C253-Q256 HydrophobicContact CB-CG 4.18Å; C253-Q256 VanDerWaalsContact CB-OE1 3.29Å; C253-R257 WeakPolarHBondContact O-CB 2.92Å; C253-R257 PolarHBondContact O-N 2.82Å
254	R	93.4	Very high	96.3	Very high	37 Å²	37	19.1 Å²	19.1	14%	0.14	9%	0.087	C	C	.	.	H	α-helix	trans	-62.1	-43.3	-174.2	-170	173.3	-150.3	-149.6	0.3	113.3	S8 T9 E11 E13 R252 R257 R258	S8-R254 VanDerWaalsContact O-CZ 3.31Å; S8-R254 PolarHBondContact O-NE 3.46Å; S8-R254 PolarHBondContact O-NH2 3.48Å; T9-R254 PolarHBondContact O-NE 3.02Å; T9-R254 PolarHBondContact O-NH2 3.2Å; E11-R254 VanDerWaalsContact N-NH2 3.18Å; E11-R254 PolarHBondContact O-NH1 3.08Å; E11-R254 PolarHBondContact O-NH2 3.4Å; E13-R254 WeakPolarHBondContact OE1-CD 3.36Å; E13-R254 IonicContact OE1-CZ 2.94Å; E13-R254 IonicContact OE1-NE 3.51Å; E13-R254 PolarHBondContact OE1-NE 3.16Å; E13-R254 IonicContact OE1-NH1 3.72Å; E13-R254 PolarHBondContact OE1-NH1 3.42Å; E13-R254 IonicContact OE2-NH1 2.76Å; R252-R254 PolarHBondContact O-N 3.32Å; R252-R254 VanDerWaalsContact O-N 3.1Å; R254-R257 PolarHBondContact O-N 2.59Å; R254-R258 VanDerWaalsContact CZ-NH2 3.26Å; R254-R258 WeakPolarHBondContact O-CG 3.33Å; R254-R258 PolarHBondContact O-N 2.95Å
255	H	93.6	Very high	96.2	Very high	75 Å²	75	20 Å²	20	35%	0.347	9%	0.09	S	C	.	.	H	α-helix	trans	-62.3	-56.3	179.9	-171.6	96.5	0	0	0	111	C253 R257 R258 E259	C253-H255 PolarHBondContact O-N 2.96Å; H255-R257 VanDerWaalsContact C-N 3.25Å; H255-R257 PolarHBondContact O-N 3.48Å; H255-R258 WeakPolarHBondContact O-CB 3.08Å; H255-R258 PolarHBondContact O-N 3.36Å; H255-E259 IonicContact CD2-OE2 3.81Å; H255-E259 IonicContact NE2-OE1 2.77Å; H255-E259 IonicContact NE2-OE2 3.23Å; H255-E259 PolarHBondContact O-N 2.87Å
256	Q	95.6	Very high	96.2	Very high	56 Å²	56	23.9 Å²	23.9	26%	0.262	11%	0.108	S	C	.	.	H	α-helix	trans	-55.8	-40.3	177.8	-67.9	175.3	-21.4	0	0	112	A220 V251 C253 E259 L260	A220-Q256 HydrophobicContact CB-CB 3.79Å; A220-Q256 HydrophobicContact CB-CG 4.06Å; A220-Q256 VanDerWaalsContact CB-OE1 3.27Å; V251-Q256 HydrophobicContact CG1-CB 4.14Å; C253-Q256 HydrophobicContact CB-CB 4.11Å; C253-Q256 HydrophobicContact CB-CG 4.18Å; C253-Q256 VanDerWaalsContact CB-OE1 3.29Å; Q256-E259 PolarHBondContact O-N 2.9Å; Q256-L260 WeakPolarHBondContact O-CB 3.43Å; Q256-L260 WeakPolarHBondContact O-CD1 3.11Å; Q256-L260 WeakPolarHBondContact O-CG 2.94Å; Q256-L260 PolarHBondContact O-N 2.94Å
257	R	96.5	Very high	96.2	Very high	10 Å²	10	26.5 Å²	26.5	4%	0.038	12%	0.121	C	C	.	.	H	α-helix	trans	-62.3	-44.6	174.8	179.7	160.6	42.4	107.5	1.7	112.4	D7 T9 R66 V251 C253 R254 H255 E259 L260 V261	D7-R257 IonicContact OD1-NH1 2.74Å; D7-R257 PolarHBondContact OD1-NH1 3.14Å; T9-R257 VanDerWaalsContact CA-NH1 3.27Å; T9-R257 HydrophobicContact CG2-CG 4.1Å; T9-R257 VanDerWaalsContact N-NH1 3.16Å; T9-R257 PolarHBondContact OG1-NH1 3.34Å; R66-R257 VanDerWaalsContact CD-CZ 3.43Å; R66-R257 VanDerWaalsContact CZ-NH1 3.28Å; V251-R257 HydrophobicContact CB-CB 4.17Å; V251-R257 HydrophobicContact CG1-CB 4.22Å; V251-R257 WeakPolarHBondContact O-CD 3.3Å; V251-R257 PolarHBondContact O-NE 3.48Å; C253-R257 WeakPolarHBondContact O-CB 2.92Å; C253-R257 PolarHBondContact O-N 2.82Å; R254-R257 PolarHBondContact O-N 2.59Å; H255-R257 VanDerWaalsContact C-N 3.25Å; H255-R257 PolarHBondContact O-N 3.48Å; R257-E259 VanDerWaalsContact C-N 3.34Å; R257-E259 PolarHBondContact O-N 3.13Å; R257-L260 PolarHBondContact O-N 2.8Å; R257-V261 WeakPolarHBondContact O-CG2 3.09Å; R257-V261 PolarHBondContact O-N 3.15Å
258	R	95.1	Very high	96.1	Very high	46 Å²	46	27.4 Å²	27.4	17%	0.174	13%	0.125	C	C	.	.	H	α-helix	trans	-58.2	-43.8	173.5	-73.8	175.6	176	-174.5	-4.8	111.7	T9 W10 E11 R254 H255 V261 H262 F285	T9-R258 HydrophobicContact CG2-CG 3.83Å; T9-R258 PolarHBondContact O-NE 3.37Å; T9-R258 PolarHBondContact O-NH2 3.11Å; W10-R258 HydrophobicContact CD2-CG 4.47Å; W10-R258 HydrophobicContact CE3-CG 4.36Å; W10-R258 HydrophobicContact CH2-CB 4.16Å; W10-R258 HydrophobicContact CH2-CG 4.14Å; W10-R258 HydrophobicContact CZ2-CB 4.34Å; W10-R258 HydrophobicContact CZ2-CG 4.23Å; W10-R258 HydrophobicContact CZ3-CG 4.2Å; E11-R258 PolarHBondContact O-NH2 2.87Å; R254-R258 VanDerWaalsContact CZ-NH2 3.26Å; R254-R258 WeakPolarHBondContact O-CG 3.33Å; R254-R258 PolarHBondContact O-N 2.95Å; H255-R258 WeakPolarHBondContact O-CB 3.08Å; H255-R258 PolarHBondContact O-N 3.36Å; R258-V261 PolarHBondContact O-N 2.97Å; R258-H262 PolarHBondContact O-N 3.06Å; R258-F285 HydrophobicContact CB-CE2 3.86Å; R258-F285 HydrophobicContact CB-CZ 3.89Å
259	E	95.7	Very high	95.9	Very high	16 Å²	16	34 Å²	34	8%	0.075	15%	0.154	C	C	.	.	H	α-helix	trans	-64.5	-41.2	177.3	-63.8	-165.8	108.6	0	0	113	H255 Q256 R257 H262 F263 F285 P287 Q288 I290	H255-E259 IonicContact CD2-OE2 3.81Å; H255-E259 IonicContact NE2-OE1 2.77Å; H255-E259 IonicContact NE2-OE2 3.23Å; H255-E259 PolarHBondContact O-N 2.87Å; Q256-E259 PolarHBondContact O-N 2.9Å; R257-E259 VanDerWaalsContact C-N 3.34Å; R257-E259 PolarHBondContact O-N 3.13Å; E259-H262 WeakPolarHBondContact O-CB 3.41Å; E259-H262 PolarHBondContact O-N 2.79Å; E259-F263 PolarHBondContact O-N 2.81Å; E259-F285 HydrophobicContact CB-CE1 4.47Å; E259-F285 HydrophobicContact CG-CE1 3.9Å; E259-F285 HydrophobicContact CG-CZ 3.8Å; E259-P287 WeakPolarHBondContact OE1-CA 3.35Å; E259-Q288 PolarHBondContact OE1-N 2.98Å; E259-I290 WeakPolarHBondContact OE2-CD1 3.2Å; E259-I290 WeakPolarHBondContact OE2-CG1 3.42Å
260	L	97.4	Very high	95.7	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-66.5	-37.1	176.5	-68.5	163.4	0	0	0	111.9	A220 V223 R224 L227 L248 V251 Q256 R257 A264	A220-L260 HydrophobicContact CB-CD1 4.03Å; V223-L260 HydrophobicContact CB-CD1 4.17Å; V223-L260 HydrophobicContact CG1-CD1 3.96Å; V223-L260 HydrophobicContact CG1-CD2 4.42Å; R224-L260 HydrophobicContact CB-CD2 3.79Å; R224-L260 HydrophobicContact CG-CD2 4.36Å; L227-L260 HydrophobicContact CD1-CB 4.11Å; L227-L260 HydrophobicContact CD1-CD2 3.92Å; L248-L260 HydrophobicContact CD1-CB 3.56Å; V251-L260 HydrophobicContact CB-CD1 4.49Å; V251-L260 HydrophobicContact CG1-CD1 4.39Å; V251-L260 HydrophobicContact CG2-CD1 3.79Å; Q256-L260 WeakPolarHBondContact O-CB 3.43Å; Q256-L260 WeakPolarHBondContact O-CD1 3.11Å; Q256-L260 WeakPolarHBondContact O-CG 2.94Å; Q256-L260 PolarHBondContact O-N 2.94Å; R257-L260 PolarHBondContact O-N 2.8Å; L260-A264 VanDerWaalsContact O-CB 3.28Å; L260-A264 WeakPolarHBondContact O-CB 3.42Å; L260-A264 PolarHBondContact O-N 3.47Å
261	V	96.2	Very high	95.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.6	-39.1	174.2	179.7	0	0	0	0	110.4	T9 W10 L248 F249 R257 R258 A264 W265 F274 W276 L282	T9-V261 HydrophobicContact CG2-CG2 4.43Å; W10-V261 HydrophobicContact CZ2-CG1 4.45Å; L248-V261 HydrophobicContact CD1-CG2 3.99Å; L248-V261 HydrophobicContact CD2-CB 4.5Å; L248-V261 HydrophobicContact CD2-CG2 3.79Å; L248-V261 HydrophobicContact CG-CG2 3.81Å; F249-V261 HydrophobicContact CE1-CG2 4.31Å; F249-V261 HydrophobicContact CZ-CG2 4.29Å; R257-V261 WeakPolarHBondContact O-CG2 3.09Å; R257-V261 PolarHBondContact O-N 3.15Å; R258-V261 PolarHBondContact O-N 2.97Å; V261-A264 PolarHBondContact O-N 2.7Å; V261-W265 WeakPolarHBondContact O-CB 3.48Å; V261-W265 PolarHBondContact O-N 3.25Å; V261-F274 HydrophobicContact CG1-CE1 3.97Å; V261-F274 HydrophobicContact CG1-CZ 3.95Å; V261-W276 VanDerWaalsContact CG1-O 3.22Å; V261-W276 WeakPolarHBondContact CG1-O 3.25Å; V261-L282 HydrophobicContact CG1-CD2 3.97Å
262	H	95.8	Very high	94.8	Very high	13 Å²	13	50.5 Å²	50.5	6%	0.06	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-50.9	173.8	-173.5	-87	0	0	0	111.9	R258 E259 A264 W265 E266 L282 F285	R258-H262 PolarHBondContact O-N 3.06Å; E259-H262 WeakPolarHBondContact O-CB 3.41Å; E259-H262 PolarHBondContact O-N 2.79Å; H262-A264 VanDerWaalsContact C-N 3.28Å; H262-A264 PolarHBondContact O-N 3.37Å; H262-W265 AromaticContact NE2-CZ3 3.9Å; H262-W265 WeakPolarHBondContact O-CB 3.34Å; H262-W265 PolarHBondContact O-N 3.27Å; H262-W265 VanDerWaalsContact O-N 3.07Å; H262-E266 IonicContact CE1-OE1 2.72Å; H262-E266 PolarHBondContact CE1-OE1 3.29Å; H262-E266 IonicContact CE1-OE2 3.7Å; H262-E266 PolarHBondContact CE1-OE2 3.29Å; H262-E266 VanDerWaalsContact ND1-CD 3.27Å; H262-E266 IonicContact ND1-OE1 3.46Å; H262-E266 IonicContact ND1-OE2 3.37Å; H262-E266 PolarHBondContact ND1-OE2 3.42Å; H262-E266 WeakPolarHBondContact O-CG 3.34Å; H262-E266 PolarHBondContact O-N 2.88Å; H262-L282 HydrophobicContact CB-CD2 4.45Å; H262-L282 PolarHBondContact CD2-O 3.47Å; H262-F285 HydrophobicContact CB-CD1 3.82Å; H262-F285 HydrophobicContact CB-CE1 4.18Å; H262-F285 AromaticContact CD2-CD1 3.71Å; H262-F285 AromaticContact CG-CD1 3.81Å
263	F	97.2	Very high	94.6	Very high	22 Å²	22	51 Å²	51	10%	0.096	23%	0.227	C	C	.	.	H	α-helix	trans	-56	-44.2	175.2	174.9	-92.2	0	0	0	111.6	R224 L227 E228 V232 E259 W265 E266 H267	R224-F263 VanDerWaalsContact NH1-CD2 3.28Å; R224-F263 VanDerWaalsContact NH1-CG 3.29Å; R224-F263 VanDerWaalsContact NH2-CE2 3.28Å; L227-F263 HydrophobicContact CB-CD1 3.89Å; L227-F263 HydrophobicContact CB-CE1 3.74Å; L227-F263 HydrophobicContact CD1-CD1 4.31Å; E228-F263 HydrophobicContact CG-CE1 4.29Å; E228-F263 HydrophobicContact CG-CZ 3.85Å; V232-F263 HydrophobicContact CG2-CE1 4.42Å; V232-F263 HydrophobicContact CG2-CZ 3.69Å; E259-F263 PolarHBondContact O-N 2.81Å; F263-W265 VanDerWaalsContact C-N 3.33Å; F263-W265 PolarHBondContact O-N 2.79Å; F263-E266 PolarHBondContact O-N 2.82Å; F263-H267 AromaticContact CD2-CD2 3.51Å; F263-H267 AromaticContact CD2-NE2 3.83Å; F263-H267 AromaticContact CE2-CD2 3.14Å; F263-H267 WeakPolarHBondContact CE2-CD2 3.23Å; F263-H267 AromaticContact CE2-NE2 3.26Å; F263-H267 VanDerWaalsContact CE2-NE2 3.26Å; F263-H267 WeakPolarHBondContact CE2-NE2 3.4Å; F263-H267 AromaticContact CZ-CD2 3.47Å; F263-H267 VanDerWaalsContact CZ-CD2 3.47Å; F263-H267 WeakPolarHBondContact CZ-CD2 3.45Å; F263-H267 AromaticContact CZ-CG 3.96Å; F263-H267 AromaticContact CZ-NE2 3.88Å; F263-H267 PolarHBondContact O-CD2 3.36Å; F263-H267 PolarHBondContact O-N 3.03Å; F263-H267 VanDerWaalsContact O-N 3.12Å
264	A	97.3	Very high	94.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.6	-42.9	177.2	0	0	0	0	0	111.3	L227 L231 L244 L260 V261 H262 H267 F268 F274	L227-A264 HydrophobicContact CD2-CB 4.16Å; L231-A264 HydrophobicContact CD1-CB 3.95Å; L244-A264 HydrophobicContact CD2-CB 3.98Å; L260-A264 VanDerWaalsContact O-CB 3.28Å; L260-A264 WeakPolarHBondContact O-CB 3.42Å; L260-A264 PolarHBondContact O-N 3.47Å; V261-A264 PolarHBondContact O-N 2.7Å; H262-A264 VanDerWaalsContact C-N 3.28Å; H262-A264 PolarHBondContact O-N 3.37Å; A264-H267 PolarHBondContact O-N 3.32Å; A264-F268 WeakPolarHBondContact O-CB 2.96Å; A264-F268 PolarHBondContact O-N 2.61Å; A264-F274 HydrophobicContact CB-CE2 3.75Å; A264-F274 HydrophobicContact CB-CZ 4.02Å
265	W	95.8	Very high	94.5	Very high	18 Å²	18	49.1 Å²	49.1	7%	0.068	22%	0.218	C	C	.	.	H	α-helix	trans	-65.4	-38.1	176.6	172.5	76.5	0	0	0	113.8	V261 H262 F263 R271 F274 L282 R283	V261-W265 WeakPolarHBondContact O-CB 3.48Å; V261-W265 PolarHBondContact O-N 3.25Å; H262-W265 AromaticContact NE2-CZ3 3.9Å; H262-W265 WeakPolarHBondContact O-CB 3.34Å; H262-W265 PolarHBondContact O-N 3.27Å; H262-W265 VanDerWaalsContact O-N 3.07Å; F263-W265 VanDerWaalsContact C-N 3.33Å; F263-W265 PolarHBondContact O-N 2.79Å; W265-R271 HydrophobicContact CD2-CG 4.48Å; W265-R271 HydrophobicContact CG-CG 4.4Å; W265-R271 VanDerWaalsContact CZ2-NH1 3.32Å; W265-R271 WeakPolarHBondContact O-CG 3.28Å; W265-F274 HydrophobicContact CB-CD1 3.95Å; W265-F274 HydrophobicContact CB-CD2 4.26Å; W265-F274 HydrophobicContact CB-CE1 3.81Å; W265-F274 HydrophobicContact CB-CE2 4.14Å; W265-F274 HydrophobicContact CB-CG 4.16Å; W265-F274 HydrophobicContact CB-CZ 3.9Å; W265-F274 AromaticContact CD1-CD1 3.69Å; W265-F274 AromaticContact CD1-CG 3.85Å; W265-F274 HydrophobicContact CG-CD1 4.21Å; W265-F274 HydrophobicContact CG-CE1 4.47Å; W265-F274 HydrophobicContact CG-CG 4.43Å; W265-L282 HydrophobicContact CB-CD1 4.15Å; W265-L282 HydrophobicContact CB-CD2 4.37Å; W265-L282 HydrophobicContact CD2-CB 4.07Å; W265-L282 HydrophobicContact CD2-CD1 4.37Å; W265-L282 HydrophobicContact CE3-CB 4.27Å; W265-L282 HydrophobicContact CG-CB 4.44Å; W265-L282 HydrophobicContact CG-CD1 3.89Å; W265-L282 HydrophobicContact CZ2-CB 4.44Å; W265-R283 HydrophobicContact CH2-CG 3.87Å; W265-R283 HydrophobicContact CZ2-CG 3.85Å
266	E	95.3	Very high	94.5	Very high	84 Å²	84	46.2 Å²	46.2	39%	0.393	21%	0.205	S	C	.	.	H	α-helix	trans	-64.8	-44	176.8	-71.3	177.7	111	0	0	111.9	H262 F263 K269	H262-E266 IonicContact CE1-OE1 2.72Å; H262-E266 PolarHBondContact CE1-OE1 3.29Å; H262-E266 IonicContact CE1-OE2 3.7Å; H262-E266 PolarHBondContact CE1-OE2 3.29Å; H262-E266 VanDerWaalsContact ND1-CD 3.27Å; H262-E266 IonicContact ND1-OE1 3.46Å; H262-E266 IonicContact ND1-OE2 3.37Å; H262-E266 PolarHBondContact ND1-OE2 3.42Å; H262-E266 WeakPolarHBondContact O-CG 3.34Å; H262-E266 PolarHBondContact O-N 2.88Å; F263-E266 PolarHBondContact O-N 2.82Å; E266-K269 PolarHBondContact O-NZ 2.85Å
267	H	96.7	Very high	94.2	Very high	66 Å²	66	44.3 Å²	44.3	31%	0.306	20%	0.199	S	C	.	.	H	α-helix	trans	-90.8	-19.7	-175.2	-70.6	-83.3	0	0	0	114.3	L231 V232 F263 A264 K269	L231-H267 HydrophobicContact CB-CB 3.9Å; V232-H267 HydrophobicContact CG2-CB 4.06Å; V232-H267 WeakPolarHBondContact CG2-ND1 3.38Å; F263-H267 AromaticContact CD2-CD2 3.51Å; F263-H267 AromaticContact CD2-NE2 3.83Å; F263-H267 AromaticContact CE2-CD2 3.14Å; F263-H267 WeakPolarHBondContact CE2-CD2 3.23Å; F263-H267 AromaticContact CE2-NE2 3.26Å; F263-H267 VanDerWaalsContact CE2-NE2 3.26Å; F263-H267 WeakPolarHBondContact CE2-NE2 3.4Å; F263-H267 AromaticContact CZ-CD2 3.47Å; F263-H267 VanDerWaalsContact CZ-CD2 3.47Å; F263-H267 WeakPolarHBondContact CZ-CD2 3.45Å; F263-H267 AromaticContact CZ-CG 3.96Å; F263-H267 AromaticContact CZ-NE2 3.88Å; F263-H267 PolarHBondContact O-CD2 3.36Å; F263-H267 PolarHBondContact O-N 3.03Å; F263-H267 VanDerWaalsContact O-N 3.12Å; A264-H267 PolarHBondContact O-N 3.32Å; H267-K269 PolarHBondContact O-N 3.3Å; H267-K269 VanDerWaalsContact O-N 3.16Å
268	F	96.2	Very high	93.8	Very high	20 Å²	20	46.3 Å²	46.3	9%	0.088	21%	0.214	C	C	.	.	S	Bend	trans	-66.2	115.5	174.8	-168.6	-77.3	0	0	0	111.1	L231 R240 L244 A264 P270 R271 E273 F274 W276	L231-F268 HydrophobicContact CD2-CD2 4.38Å; R240-F268 VanDerWaalsContact NH2-CD2 3.28Å; L244-F268 HydrophobicContact CD1-CD2 3.83Å; L244-F268 HydrophobicContact CD1-CE2 3.7Å; A264-F268 WeakPolarHBondContact O-CB 2.96Å; A264-F268 PolarHBondContact O-N 2.61Å; F268-P270 CarbonylContact O-C 3.47Å; F268-R271 WeakPolarHBondContact O-CA 3.14Å; F268-R271 PolarHBondContact O-N 2.72Å; F268-E273 HydrophobicContact CE1-CB 4.09Å; F268-F274 HydrophobicContact CB-CD2 3.74Å; F268-F274 HydrophobicContact CB-CE2 4.4Å; F268-F274 HydrophobicContact CD1-CB 4.4Å; F268-F274 HydrophobicContact CD1-CD2 4.49Å; F268-F274 HydrophobicContact CD2-CD2 4.19Å; F268-F274 AromaticContact CG-CD2 3.91Å; F268-F274 HydrophobicContact CG-CD2 3.91Å; F268-W276 AromaticContact CD2-CZ3 3.93Å; F268-W276 HydrophobicContact CD2-CZ3 3.93Å; F268-W276 AromaticContact CE2-CH2 3.71Å; F268-W276 HydrophobicContact CE2-CH2 3.71Å; F268-W276 AromaticContact CE2-CZ3 3.46Å; F268-W276 HydrophobicContact CE2-CZ3 3.46Å; F268-W276 VanDerWaalsContact CE2-CZ3 3.46Å; F268-W276 HydrophobicContact CZ-CH2 4.09Å; F268-W276 AromaticContact CZ-CZ3 3.87Å; F268-W276 HydrophobicContact CZ-CZ3 3.87Å
269	K	93.1	Very high	93.4	Very high	139 Å²	139	49.1 Å²	49.1	60%	0.604	22%	0.224	S	C	*	.	S	Bend	trans	-107.6	137.7	171	-49.3	-51.7	176.9	-163.8	0	110.2	E266 H267	E266-K269 PolarHBondContact O-NZ 2.85Å; H267-K269 PolarHBondContact O-N 3.3Å; H267-K269 VanDerWaalsContact O-N 3.16Å
270	P	92.9	Very high	93.1	Very high	54 Å²	54	52.2 Å²	52.2	35%	0.351	24%	0.242	S	C	.	.	S	Bend	cis	-77.4	138.5	-9.2	34.5	-35.2	0	0	0	111.3	F268 R272 E273	F268-P270 CarbonylContact O-C 3.47Å; P270-R272 HydrophobicContact CB-CG 4.31Å; P270-R272 PolarHBondContact O-N 2.72Å; P270-E273 HydrophobicContact CG-CB 4.27Å; P270-E273 HydrophobicContact CG-CG 4.29Å; P270-E273 VanDerWaalsContact CG-OE1 3.28Å; P270-E273 WeakPolarHBondContact CG-OE1 3.49Å; P270-E273 WeakPolarHBondContact CG-OE2 3.49Å; P270-E273 PolarHBondContact O-N 3.06Å
271	R	89.2	Confident	92.7	Very high	126 Å²	126	55 Å²	55	48%	0.475	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-59.8	-24.3	-172	-167.6	172	75.4	167.2	-2.6	114	W265 F268 E273 F274	W265-R271 HydrophobicContact CD2-CG 4.48Å; W265-R271 HydrophobicContact CG-CG 4.4Å; W265-R271 VanDerWaalsContact CZ2-NH1 3.32Å; W265-R271 WeakPolarHBondContact O-CG 3.28Å; F268-R271 WeakPolarHBondContact O-CA 3.14Å; F268-R271 PolarHBondContact O-N 2.72Å; R271-E273 PolarHBondContact O-N 3.46Å; R271-F274 PolarHBondContact O-N 3.45Å
272	R	87.7	Confident	92.4	Very high	167 Å²	167	55 Å²	55	63%	0.63	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-70.3	-8.4	176.8	71	-174.9	177.2	-159.4	-1.4	115	P270 R279	P270-R272 HydrophobicContact CB-CG 4.31Å; P270-R272 PolarHBondContact O-N 2.72Å; R272-R279 PolarHBondContact O-NH2 3.08Å
273	E	91	Very high	92.1	Very high	70 Å²	70	61.5 Å²	61.5	33%	0.327	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-109.9	9.9	176.5	-77	143.3	-128.9	0	0	112.7	F268 P270 R271	F268-E273 HydrophobicContact CE1-CB 4.09Å; P270-E273 HydrophobicContact CG-CB 4.27Å; P270-E273 HydrophobicContact CG-CG 4.29Å; P270-E273 VanDerWaalsContact CG-OE1 3.28Å; P270-E273 WeakPolarHBondContact CG-OE1 3.49Å; P270-E273 WeakPolarHBondContact CG-OE2 3.49Å; P270-E273 PolarHBondContact O-N 3.06Å; R271-E273 PolarHBondContact O-N 3.46Å
274	F	93.5	Very high	91.8	Very high	2 Å²	2	69.1 Å²	69.1	1%	0.009	31%	0.306	C	S	.	.			trans	-73.5	129.4	168.1	-166.5	-93.5	0	0	0	110.6	L244 V261 A264 W265 F268 R271 W276 R279 L282	L244-F274 HydrophobicContact CD2-CE2 4.4Å; V261-F274 HydrophobicContact CG1-CE1 3.97Å; V261-F274 HydrophobicContact CG1-CZ 3.95Å; A264-F274 HydrophobicContact CB-CE2 3.75Å; A264-F274 HydrophobicContact CB-CZ 4.02Å; W265-F274 HydrophobicContact CB-CD1 3.95Å; W265-F274 HydrophobicContact CB-CD2 4.26Å; W265-F274 HydrophobicContact CB-CE1 3.81Å; W265-F274 HydrophobicContact CB-CE2 4.14Å; W265-F274 HydrophobicContact CB-CG 4.16Å; W265-F274 HydrophobicContact CB-CZ 3.9Å; W265-F274 AromaticContact CD1-CD1 3.69Å; W265-F274 AromaticContact CD1-CG 3.85Å; W265-F274 HydrophobicContact CG-CD1 4.21Å; W265-F274 HydrophobicContact CG-CE1 4.47Å; W265-F274 HydrophobicContact CG-CG 4.43Å; F268-F274 HydrophobicContact CB-CD2 3.74Å; F268-F274 HydrophobicContact CB-CE2 4.4Å; F268-F274 HydrophobicContact CD1-CB 4.4Å; F268-F274 HydrophobicContact CD1-CD2 4.49Å; F268-F274 HydrophobicContact CD2-CD2 4.19Å; F268-F274 AromaticContact CG-CD2 3.91Å; F268-F274 HydrophobicContact CG-CD2 3.91Å; R271-F274 PolarHBondContact O-N 3.45Å; F274-W276 AromaticContact CD2-CE3 3.6Å; F274-W276 HydrophobicContact CD2-CE3 3.6Å; F274-W276 HydrophobicContact CD2-CZ3 4.05Å; F274-W276 HydrophobicContact CE1-CB 3.94Å; F274-W276 HydrophobicContact CE2-CB 4.38Å; F274-W276 AromaticContact CE2-CE3 3.7Å; F274-W276 HydrophobicContact CE2-CE3 3.7Å; F274-W276 HydrophobicContact CE2-CZ3 4.46Å; F274-W276 HydrophobicContact CG-CE3 4.05Å; F274-W276 HydrophobicContact CZ-CB 3.78Å; F274-W276 HydrophobicContact CZ-CE3 4.23Å; F274-R279 PolarHBondContact O-NH2 3.19Å; F274-L282 HydrophobicContact CD1-CD1 4.1Å; F274-L282 HydrophobicContact CE1-CD1 3.92Å
275	V	92.5	Very high	91.5	Very high	45 Å²	45	70.6 Å²	70.6	27%	0.273	31%	0.312	S	S	.	.			trans	-127.9	1.5	-173.7	-60.9	0	0	0	0	113.9	R52 R54 G277	R52-V275 WeakPolarHBondContact O-CG1 3.33Å; R54-V275 HydrophobicContact CB-CG2 4.15Å; V275-G277 VanDerWaalsContact C-N 3.34Å; V275-G277 PolarHBondContact O-N 2.6Å
276	W	92.7	Very high	91.1	Very high	15 Å²	15	79.4 Å²	79.4	6%	0.057	35%	0.345	C	S	.	.	S	Bend	trans	-94.3	19.6	-173.9	-58.5	-89.7	0	0	0	113.4	L244 D245 L248 F249 V261 F268 F274	L244-W276 HydrophobicContact CB-CD2 4.11Å; L244-W276 HydrophobicContact CB-CH2 4.45Å; L244-W276 HydrophobicContact CB-CZ2 3.91Å; L244-W276 HydrophobicContact CD1-CE3 4.47Å; L244-W276 HydrophobicContact CD1-CH2 3.81Å; L244-W276 HydrophobicContact CD1-CZ2 4.08Å; L244-W276 HydrophobicContact CD1-CZ3 4.02Å; L244-W276 HydrophobicContact CD2-CE3 4.46Å; D245-W276 PolarHBondContact OD1-NE1 2.73Å; L248-W276 HydrophobicContact CD2-CB 4.29Å; F249-W276 HydrophobicContact CE2-CB 4.07Å; F249-W276 AromaticContact CE2-CD1 3.84Å; F249-W276 HydrophobicContact CE2-CG 4.32Å; F249-W276 HydrophobicContact CZ-CB 3.96Å; V261-W276 VanDerWaalsContact CG1-O 3.22Å; V261-W276 WeakPolarHBondContact CG1-O 3.25Å; F268-W276 AromaticContact CD2-CZ3 3.93Å; F268-W276 HydrophobicContact CD2-CZ3 3.93Å; F268-W276 AromaticContact CE2-CH2 3.71Å; F268-W276 HydrophobicContact CE2-CH2 3.71Å; F268-W276 AromaticContact CE2-CZ3 3.46Å; F268-W276 HydrophobicContact CE2-CZ3 3.46Å; F268-W276 VanDerWaalsContact CE2-CZ3 3.46Å; F268-W276 HydrophobicContact CZ-CH2 4.09Å; F268-W276 AromaticContact CZ-CZ3 3.87Å; F268-W276 HydrophobicContact CZ-CZ3 3.87Å; F274-W276 AromaticContact CD2-CE3 3.6Å; F274-W276 HydrophobicContact CD2-CE3 3.6Å; F274-W276 HydrophobicContact CD2-CZ3 4.05Å; F274-W276 HydrophobicContact CE1-CB 3.94Å; F274-W276 HydrophobicContact CE2-CB 4.38Å; F274-W276 AromaticContact CE2-CE3 3.7Å; F274-W276 HydrophobicContact CE2-CE3 3.7Å; F274-W276 HydrophobicContact CE2-CZ3 4.46Å; F274-W276 HydrophobicContact CG-CE3 4.05Å; F274-W276 HydrophobicContact CZ-CB 3.78Å; F274-W276 HydrophobicContact CZ-CE3 4.23Å
277	G	90.2	Very high	90.4	Very high	15 Å²	15	77.9 Å²	77.9	16%	0.155	34%	0.343	C	S	.	.	S	Bend	trans	179.6	152.2	172.9	0	0	0	0	0	113.8	V275 R279 L282	V275-G277 VanDerWaalsContact C-N 3.34Å; V275-G277 PolarHBondContact O-N 2.6Å; G277-R279 PolarHBondContact O-N 2.75Å; G277-L282 WeakPolarHBondContact O-CD1 3.18Å
278	P	89.2	Confident	89.2	Confident	52 Å²	52	81.8 Å²	81.8	34%	0.338	36%	0.361	S	S	.	.			trans	-69.1	124.1	-178.1	26.5	-31.6	0	0	0	111.3	W10 D280 K281 L282	W10-P278 HydrophobicContact CB-CG 4.03Å; W10-P278 HydrophobicContact CD2-CG 4.27Å; W10-P278 HydrophobicContact CG-CG 3.83Å; P278-D280 PolarHBondContact O-N 3.13Å; P278-D280 VanDerWaalsContact O-N 3.11Å; P278-K281 HydrophobicContact CG-CB 4.19Å; P278-K281 HydrophobicContact CG-CD 4.4Å; P278-K281 HydrophobicContact CG-CG 4.29Å; P278-K281 PolarHBondContact O-N 2.81Å; P278-L282 WeakPolarHBondContact O-CG 3.45Å; P278-L282 PolarHBondContact O-N 3.05Å
279	R	86.6	Confident	87.4	Confident	105 Å²	105	86.2 Å²	86.2	40%	0.396	39%	0.39	S	S	.	.	H	α-helix	trans	-58.4	-32.1	-168.5	-64.6	-179.4	-179.3	-159.3	-5.9	113.3	R272 F274 G277 R283	R272-R279 PolarHBondContact O-NH2 3.08Å; F274-R279 PolarHBondContact O-NH2 3.19Å; G277-R279 PolarHBondContact O-N 2.75Å; R279-R283 WeakPolarHBondContact O-CB 3.33Å; R279-R283 VanDerWaalsContact O-CG 3.3Å; R279-R283 WeakPolarHBondContact O-CG 3.24Å; R279-R283 PolarHBondContact O-N 2.99Å
280	D	87.6	Confident	85.5	Confident	82 Å²	82	84.1 Å²	84.1	44%	0.439	38%	0.384	S	S	.	.	H	α-helix	trans	-87.8	-20.7	-173.4	-52.1	-57.9	0	0	0	113.2	P278 R283 R284	P278-D280 PolarHBondContact O-N 3.13Å; P278-D280 VanDerWaalsContact O-N 3.11Å; D280-R283 IonicContact OD1-CZ 3.82Å; D280-R283 VanDerWaalsContact OD1-CZ 3.3Å; D280-R283 IonicContact OD1-NE 2.71Å; D280-R283 PolarHBondContact OD1-NE 3.17Å; D280-R283 IonicContact OD1-NH2 3.37Å; D280-R283 PolarHBondContact OD1-NH2 2.77Å; D280-R284 PolarHBondContact O-NE 3.24Å; D280-R284 PolarHBondContact O-NH2 2.99Å
281	K	89.7	Confident	82.8	Confident	60 Å²	60	86.7 Å²	86.7	26%	0.261	40%	0.404	S	S	.	.	H	α-helix	trans	-79.2	-40.7	163.8	-60.7	-163	173.9	-166	0	110.1	W10 D12 P278 R283 R284 F285	W10-K281 HydrophobicContact CB-CD 4.25Å; W10-K281 HydrophobicContact CD2-CB 4.3Å; W10-K281 HydrophobicContact CD2-CD 4.45Å; W10-K281 HydrophobicContact CE3-CB 3.62Å; W10-K281 HydrophobicContact CE3-CD 3.83Å; W10-K281 HydrophobicContact CE3-CG 4.35Å; W10-K281 HydrophobicContact CZ3-CB 3.74Å; W10-K281 PolarHBondContact O-NZ 3.01Å; D12-K281 IonicContact OD1-NZ 2.79Å; D12-K281 PolarHBondContact OD1-NZ 3.46Å; D12-K281 IonicContact OD2-NZ 3.54Å; D12-K281 PolarHBondContact OD2-NZ 3.19Å; P278-K281 HydrophobicContact CG-CB 4.19Å; P278-K281 HydrophobicContact CG-CD 4.4Å; P278-K281 HydrophobicContact CG-CG 4.29Å; P278-K281 PolarHBondContact O-N 2.81Å; K281-R283 PolarHBondContact O-N 3.15Å; K281-R284 PolarHBondContact O-N 3.28Å; K281-R284 VanDerWaalsContact O-N 3.16Å; K281-F285 WeakPolarHBondContact O-CB 3.26Å; K281-F285 PolarHBondContact O-N 3.22Å
282	L	90.8	Very high	80.8	Confident	0 Å²	0	86.1 Å²	86.1	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-58.2	-45.9	174.3	-70.1	168.1	0	0	0	113.1	W10 V261 H262 W265 F274 G277 P278 R284 F285	W10-L282 HydrophobicContact CH2-CD2 4.13Å; W10-L282 HydrophobicContact CZ2-CD2 3.67Å; W10-L282 HydrophobicContact CZ2-CG 4.29Å; V261-L282 HydrophobicContact CG1-CD2 3.97Å; H262-L282 HydrophobicContact CB-CD2 4.45Å; H262-L282 PolarHBondContact CD2-O 3.47Å; W265-L282 HydrophobicContact CB-CD1 4.15Å; W265-L282 HydrophobicContact CB-CD2 4.37Å; W265-L282 HydrophobicContact CD2-CB 4.07Å; W265-L282 HydrophobicContact CD2-CD1 4.37Å; W265-L282 HydrophobicContact CE3-CB 4.27Å; W265-L282 HydrophobicContact CG-CB 4.44Å; W265-L282 HydrophobicContact CG-CD1 3.89Å; W265-L282 HydrophobicContact CZ2-CB 4.44Å; F274-L282 HydrophobicContact CD1-CD1 4.1Å; F274-L282 HydrophobicContact CE1-CD1 3.92Å; G277-L282 WeakPolarHBondContact O-CD1 3.18Å; P278-L282 WeakPolarHBondContact O-CG 3.45Å; P278-L282 PolarHBondContact O-N 3.05Å; L282-R284 PolarHBondContact O-N 2.85Å; L282-F285 PolarHBondContact O-N 3Å
283	R	89.7	Confident	78.2	Confident	149 Å²	149	83.6 Å²	83.6	56%	0.562	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.7	176.8	-80.3	-173.1	-86	-151.6	-0.1	114.3	W265 R279 D280 K281	W265-R283 HydrophobicContact CH2-CG 3.87Å; W265-R283 HydrophobicContact CZ2-CG 3.85Å; R279-R283 WeakPolarHBondContact O-CB 3.33Å; R279-R283 VanDerWaalsContact O-CG 3.3Å; R279-R283 WeakPolarHBondContact O-CG 3.24Å; R279-R283 PolarHBondContact O-N 2.99Å; D280-R283 IonicContact OD1-CZ 3.82Å; D280-R283 VanDerWaalsContact OD1-CZ 3.3Å; D280-R283 IonicContact OD1-NE 2.71Å; D280-R283 PolarHBondContact OD1-NE 3.17Å; D280-R283 IonicContact OD1-NH2 3.37Å; D280-R283 PolarHBondContact OD1-NH2 2.77Å; K281-R283 PolarHBondContact O-N 3.15Å
284	R	90.2	Very high	75.7	Confident	183 Å²	183	88.2 Å²	88.2	69%	0.691	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-15.4	-178.8	-74	-178.6	-77.1	-169.6	-4.1	113.6	D280 K281 L282	D280-R284 PolarHBondContact O-NE 3.24Å; D280-R284 PolarHBondContact O-NH2 2.99Å; K281-R284 PolarHBondContact O-N 3.28Å; K281-R284 VanDerWaalsContact O-N 3.16Å; L282-R284 PolarHBondContact O-N 2.85Å
285	F	89.9	Confident	73.1	Confident	31 Å²	31	97 Å²	97	14%	0.136	48%	0.476	C	S	.	.			trans	-64.5	145.1	-177.8	-170.6	-102.4	0	0	0	111.9	W10 R258 E259 H262 K281 L282 P287	W10-F285 HydrophobicContact CH2-CB 4.36Å; W10-F285 AromaticContact CH2-CD2 3.94Å; W10-F285 HydrophobicContact CH2-CD2 3.94Å; W10-F285 HydrophobicContact CH2-CG 4.18Å; W10-F285 HydrophobicContact CZ3-CD2 4.05Å; R258-F285 HydrophobicContact CB-CE2 3.86Å; R258-F285 HydrophobicContact CB-CZ 3.89Å; E259-F285 HydrophobicContact CB-CE1 4.47Å; E259-F285 HydrophobicContact CG-CE1 3.9Å; E259-F285 HydrophobicContact CG-CZ 3.8Å; H262-F285 HydrophobicContact CB-CD1 3.82Å; H262-F285 HydrophobicContact CB-CE1 4.18Å; H262-F285 AromaticContact CD2-CD1 3.71Å; H262-F285 AromaticContact CG-CD1 3.81Å; K281-F285 WeakPolarHBondContact O-CB 3.26Å; K281-F285 PolarHBondContact O-N 3.22Å; L282-F285 PolarHBondContact O-N 3Å; F285-P287 HydrophobicContact CD1-CG 3.92Å; F285-P287 HydrophobicContact CE1-CB 4.15Å; F285-P287 HydrophobicContact CE1-CG 3.85Å
286	R	88.7	Confident	70.2	Confident	202 Å²	202	98.2 Å²	98.2	76%	0.762	50%	0.498	S	S	*	.			trans	-128	101.9	176.7	-62.7	-60.2	-171.6	-151.7	3.3	108
287	P	81	Confident	67.5	Low	53 Å²	53	106 Å²	106	34%	0.344	54%	0.54	S	S	.	.			trans	-58.9	143.2	177.2	-22.8	32.5	0	0	0	112.2	E259 F285 T289	E259-P287 WeakPolarHBondContact OE1-CA 3.35Å; F285-P287 HydrophobicContact CD1-CG 3.92Å; F285-P287 HydrophobicContact CE1-CB 4.15Å; F285-P287 HydrophobicContact CE1-CG 3.85Å; P287-T289 PolarHBondContact O-N 2.67Å
288	Q	71.5	Confident	64.7	Low	148 Å²	148	108.5 Å²	108.5	69%	0.692	57%	0.565	S	S	*	*			trans	-93.1	75.8	173.1	-66.7	-169.4	9	0	0	108.6	E259 I290	E259-Q288 PolarHBondContact OE1-N 2.98Å; Q288-I290 PolarHBondContact O-N 2.97Å
289	T	57.7	Low	62.2	Low	113 Å²	113	114.4 Å²	114.4	69%	0.693	59%	0.588	S	S	*	*			trans	-16.3	91.9	-171.2	52.7	0	0	0	0	116	P287 S291	P287-T289 PolarHBondContact O-N 2.67Å; T289-S291 PolarHBondContact O-N 2.94Å; T289-S291 PolarHBondContact O-OG 2.58Å
290	I	53	Low	59.8	Low	94 Å²	94	114 Å²	114	48%	0.482	61%	0.607	S	S	.	*			trans	-54.4	103.2	164	-58	177.5	0	0	0	107.5	E259 Q288 R292	E259-I290 WeakPolarHBondContact OE2-CD1 3.2Å; E259-I290 WeakPolarHBondContact OE2-CG1 3.42Å; Q288-I290 PolarHBondContact O-N 2.97Å; I290-R292 PolarHBondContact O-N 2.89Å
291	S	35.9	Very low	57.7	Low	108 Å²	108	116.7 Å²	116.7	76%	0.755	62%	0.622	S	S	*	*			trans	-82.3	82.5	-165	-68.9	0	0	0	0	111.4	T289	T289-S291 PolarHBondContact O-N 2.94Å; T289-S291 PolarHBondContact O-OG 2.58Å
292	R	47.5	Very low	55.4	Low	115 Å²	115	123.1 Å²	123.1	43%	0.434	65%	0.65	S	S	.	*			trans	-87.6	124.4	164.8	-165.7	179.6	-162	165.9	15.7	109.8	E173 V180 E228 I290 L294	E173-R292 IonicContact OE2-CZ 2.99Å; E173-R292 IonicContact OE2-NH2 2.61Å; E173-R292 PolarHBondContact OE2-NH2 3.38Å; V180-R292 PolarHBondContact O-NH2 2.89Å; E228-R292 IonicContact OE2-NH1 2.69Å; E228-R292 PolarHBondContact OE2-NH1 3.17Å; I290-R292 PolarHBondContact O-N 2.89Å; R292-L294 PolarHBondContact O-N 3Å; R292-L294 VanDerWaalsContact O-N 3.13Å
293	P	33.3	Very low	53	Low	114 Å²	114	130.4 Å²	130.4	74%	0.74	69%	0.688	S	S	*	*			trans	-62.1	114	170	-22	33.9	0	0	0	110.8	M295	P293-M295 PolarHBondContact O-N 3.16Å; P293-M295 VanDerWaalsContact O-N 3.12Å
294	L	37.9	Very low	50.7	Low	166 Å²	166	132.6 Å²	132.6	87%	0.869	71%	0.705	S	S	*	*			trans	-73.1	100.6	172.6	-179.3	69.4	0	0	0	108.8	R292 G296	R292-L294 PolarHBondContact O-N 3Å; R292-L294 VanDerWaalsContact O-N 3.13Å; L294-G296 PolarHBondContact O-N 3.22Å
295	M	39.7	Very low	48.3	Very low	187 Å²	187	127.1 Å²	127.1	92%	0.921	71%	0.706	S	S	*	*			trans	-62.7	111.8	167.3	-80.9	-164.9	172.5	0	0	109.1	P293	P293-M295 PolarHBondContact O-N 3.16Å; P293-M295 VanDerWaalsContact O-N 3.12Å
296	G	31.3	Very low	45.9	Very low	70 Å²	70	132.4 Å²	132.4	72%	0.722	74%	0.743	S	S	*	*			trans	-69.9	140.3	-168.6	0	0	0	0	0	113.6	L294	L294-G296 PolarHBondContact O-N 3.22Å
297	L	35.9	Very low	43.6	Very low	180 Å²	180	126.4 Å²	126.4	94%	0.942	74%	0.744	S	S	*	*			trans	-99.1	100.9	177.3	-155.1	160.1	0	0	0	109.5
298	G	30.7	Very low	41.6	Very low	67 Å²	67	131.7 Å²	131.7	69%	0.691	77%	0.769	S	S	*	*			trans	91.3	104.3	164.6	0	0	0	0	0	117
299	Q	36.6	Very low	40.1	Very low	175 Å²	175	129.5 Å²	129.5	82%	0.818	77%	0.768	S	S	*	*			trans	-98.1	117.5	138.4	-83	-178.1	-99.4	0	0	107.9	D301	Q299-D301 PolarHBondContact NE2-OD2 2.97Å
300	A	37.1	Very low	39.3	Very low	96 Å²	96	129.3 Å²	129.3	79%	0.793	77%	0.771	S	S	*	*			trans	-111.3	83.6	167.8	0	0	0	0	0	107.2
301	D	43	Very low	38.7	Very low	140 Å²	140	132.7 Å²	132.7	75%	0.749	79%	0.785	S	S	*	*			trans	-68.7	146.4	177.4	-78.8	-54.8	0	0	0	111.2	Q299	Q299-D301 PolarHBondContact NE2-OD2 2.97Å
302	K	43	Very low	38.8	Very low	194 Å²	194	136.2 Å²	136.2	84%	0.843	79%	0.789	S	S	*	*			trans	-99.8	127.3	-169.2	-66	175.5	-179.4	173.8	0	111.3
303	D	39.5	Very low	38.4	Very low	153 Å²	153	135.4 Å²	135.4	82%	0.818	81%	0.808	S	S	*	*				40.7	96.2	127.8	-166.1	25	0	0	0	118
304	E	42	Very low	38.6	Very low	196 Å²	196	133.3 Å²	133.3	92%	0.916	81%	0.806	S	S	*	*			trans	-143.7	130	145.3	-85.1	-140.3	127.7	0	0	111.9
305	G	38.4	Very low	38.6	Very low	68 Å²	68	131.6 Å²	131.6	70%	0.701	80%	0.803	S	S	*	*			trans	72.6	100.9	139.4	0	0	0	0	0	120.3
306	P	39.3	Very low	38.6	Very low	142 Å²	142	131.5 Å²	131.5	92%	0.922	80%	0.8	S	S	*	*			trans	-78.9	135.7	165.9	32	-33	0	0	0	112.5
307	G	41.3	Very low	38.6	Very low	75 Å²	75	132.2 Å²	132.2	77%	0.773	81%	0.808	S	S	*	*			trans	-136	139.1	175.3	0	0	0	0	0	112.5
308	D	39.2	Very low	38.5	Very low	164 Å²	164	134.7 Å²	134.7	88%	0.877	81%	0.805	S	S	*	*			trans	-80.1	145.6	-167	-155.6	44.8	0	0	0	113.2
309	P	39.3	Very low	38.5	Very low	103 Å²	103	138.4 Å²	138.4	67%	0.669	81%	0.814	S	S	*	*			trans	-96.9	152.3	-171.2	37.1	-33.2	0	0	0	113.8
310	S	41.2	Very low	38.3	Very low	108 Å²	108	135.6 Å²	135.6	76%	0.755	81%	0.812	S	S	*	*			trans	-159.8	131	162.5	-85.6	0	0	0	0	114.1
311	Q	40.8	Very low	38	Very low	165 Å²	165	134.9 Å²	134.9	77%	0.771	81%	0.814	S	S	*	*			trans	62.8	113.7	148.8	-71.4	173.8	6.4	0	0	117.5
312	E	38.6	Very low	37.7	Very low	182 Å²	182	134.1 Å²	134.1	85%	0.85	82%	0.82	S	S	*	*				70.1	132.7	91.4	-72.8	-173.8	-175.1	0	0	114.1
313	A	38.5	Very low	37.3	Very low	99 Å²	99	128.2 Å²	128.2	82%	0.818	81%	0.814	S	S	*	*			cis	-163.9	163.1	-10.5	0	0	0	0	0	110.3
314	G	36.3	Very low	37.1	Very low	69 Å²	69	132.5 Å²	132.5	71%	0.711	82%	0.819	S	S	*	*			trans	113.1	135.8	146.3	0	0	0	0	0	118.4
315	T	39.4	Very low	36.7	Very low	130 Å²	130	130.3 Å²	130.3	80%	0.798	81%	0.814	S	S	*	*			trans	78.5	76.9	149.8	-34.5	0	0	0	0	118.4
316	Q	39.2	Very low	36.9	Very low	185 Å²	185	135.7 Å²	135.7	86%	0.864	83%	0.825	S	S	*	*				49.4	94.9	128.4	-61.9	178.1	-2.5	0	0	117.5
317	G	31.2	Very low	36.8	Very low	86 Å²	86	134.9 Å²	134.9	89%	0.887	82%	0.823	S	S	*	*			trans	-66.4	132	157.8	0	0	0	0	0	111.3
318	R	33.5	Very low	36.7	Very low	231 Å²	231	134.9 Å²	134.9	87%	0.872	82%	0.823	S	S	*	*			trans	-142.1	102.5	156.3	-170.4	176.6	-175.5	-165.1	0.4	109.7
319	T	30.5	Very low	36.5	Very low	146 Å²	146	134.5 Å²	134.5	90%	0.896	82%	0.821	S	S	*	*			trans	-66	134.9	168.4	38.4	0	0	0	0	110.1
320	C	32.6	Very low	36.5	Very low	115 Å²	115	135.1 Å²	135.1	78%	0.777	83%	0.828	S	S	*	*			trans	-154.8	115.5	163.8	-157.6	0	0	0	0	107.2
321	G	31.4	Very low	36.2	Very low	81 Å²	81	132.9 Å²	132.9	84%	0.835	82%	0.822	S	S	*	*			trans	-72.1	139.8	-179.7	0	0	0	0	0	111.8
322	S	37.3	Very low	35.8	Very low	124 Å²	124	132.4 Å²	132.4	87%	0.867	83%	0.831	S	S	*	*			trans	-153.7	122.6	157.2	-163.8	0	0	0	0	107.6
323	G	33.2	Very low	35.5	Very low	70 Å²	70	128.1 Å²	128.1	72%	0.722	83%	0.826	S	S	*	*			trans	-80.1	176.3	-168.9	0	0	0	0	0	114.4
324	R	36.1	Very low	35.5	Very low	243 Å²	243	133 Å²	133	92%	0.917	83%	0.832	S	S	*	*			trans	-154.8	129.9	151.2	-120.4	168.7	-115	-125.6	-3.2	109.7
325	D	32.5	Very low	35.2	Very low	150 Å²	150	135.8 Å²	135.8	80%	0.802	83%	0.831	S	S	*	*			trans	-69.3	143	179.5	-37.2	-102.7	0	0	0	110.7
326	L	43.8	Very low	35.2	Very low	181 Å²	181	137.5 Å²	137.5	95%	0.948	83%	0.834	S	S	*	*			trans	-144.3	140.1	145.8	-82	-170.9	0	0	0	110.4
327	S	37.6	Very low	34.7	Very low	125 Å²	125	133.5 Å²	133.5	87%	0.874	83%	0.827	S	S	*	*			trans	-96.4	156.9	-169.1	52.9	0	0	0	0	114.3
328	G	37.7	Very low	34.8	Very low	75 Å²	75	136.7 Å²	136.7	77%	0.773	82%	0.823	S	S	*	*			trans	150.1	99.9	166.9	0	0	0	0	0	109.4
329	D	36.3	Very low	34.9	Very low	156 Å²	156	133.2 Å²	133.2	83%	0.834	82%	0.82	S	S	*	*			cis	84.5	129.7	47.8	-167.9	34.3	0	0	0	114.2
330	S	39.7	Very low	34.8	Very low	116 Å²	116	132.1 Å²	132.1	81%	0.811	82%	0.819	S	S	*	*			trans	58	147.6	-176.6	73.4	0	0	0	0	117.3
331	G	33.2	Very low	35.1	Very low	61 Å²	61	131.5 Å²	131.5	63%	0.629	82%	0.821	S	S	*	*			cis	165.3	153.5	-9.2	0	0	0	0	0	113.5
332	T	33.2	Very low	35.1	Very low	156 Å²	156	137.3 Å²	137.3	96%	0.957	82%	0.824	S	S	*	*			trans	63.6	146.7	171.1	39.8	0	0	0	0	118.8
333	A	31.3	Very low	35.1	Very low	92 Å²	92	136 Å²	136	76%	0.76	81%	0.812	S	S	*	*			trans	-89	170.9	-176.2	0	0	0	0	0	113
334	E	39.1	Very low	35.3	Very low	202 Å²	202	141.3 Å²	141.3	94%	0.944	82%	0.819	S	S	*	*			trans	-141.4	157.3	133.8	-75.1	-149.2	119.9	0	0	110.3
335	D	31	Very low	35.1	Very low	127 Å²	127	136.8 Å²	136.8	68%	0.679	81%	0.812	S	S	*	*			trans	-94.9	137.7	174.2	155.8	45.8	0	0	0	110	S337	D335-S337 PolarHBondContact OD1-N 2.89Å; D335-S337 VanDerWaalsContact OD1-N 3.14Å
336	L	39.1	Very low	35.5	Very low	166 Å²	166	135.7 Å²	135.7	87%	0.869	81%	0.811	S	S	*	*			trans	-148	86.3	159.2	-80.9	-173.1	0	0	0	111.8
337	S	29.3	Very low	35	Very low	101 Å²	101	130.3 Å²	130.3	71%	0.706	80%	0.799	S	S	*	*			trans	-74.5	130.5	150.1	-59.1	0	0	0	0	110.1	D335	D335-S337 PolarHBondContact OD1-N 2.89Å; D335-S337 VanDerWaalsContact OD1-N 3.14Å
338	L	32.7	Very low	35	Very low	153 Å²	153	131.1 Å²	131.1	80%	0.801	80%	0.799	S	S	*	*			trans	-171.4	146.1	155.7	-109.1	168.6	0	0	0	115.9
339	L	35.8	Very low	35	Very low	158 Å²	158	135.1 Å²	135.1	83%	0.827	80%	0.802	S	S	*	*			trans	75.9	111.7	159	-59.8	177.6	0	0	0	121.4
340	S	28.9	Very low	35.1	Very low	123 Å²	123	135.5 Å²	135.5	86%	0.86	80%	0.804	S	S	*	*			trans	-97.3	145	153.7	172.1	0	0	0	0	110
341	A	37	Very low	35.1	Very low	101 Å²	101	133.4 Å²	133.4	84%	0.835	80%	0.8	S	S	*	*			trans	-154.6	137.7	166.6	0	0	0	0	0	113.7
342	K	32.1	Very low	35.1	Very low	203 Å²	203	135.9 Å²	135.9	88%	0.883	80%	0.799	S	S	*	*			trans	-145.4	175.9	165.4	-117.5	-170.1	176.5	179.8	0	105.3
343	P	37.3	Very low	35.5	Very low	97 Å²	97	137.5 Å²	137.5	63%	0.63	80%	0.796	S	S	*	*			cis	-134.9	-157.3	8.6	37.4	-14.8	0	0	0	113.5
344	Q	37.1	Very low	35.7	Very low	182 Å²	182	143 Å²	143	85%	0.85	80%	0.797	S	S	*	*			trans	69.5	157.8	160.8	-70.9	173.4	-4.1	0	0	117.4
345	D	31.8	Very low	35.6	Very low	147 Å²	147	142.7 Å²	142.7	79%	0.786	80%	0.795	S	S	*	*			cis	-166.5	-173.7	-29.6	-174.2	25.2	0	0	0	107.4
346	V	41.2	Very low	35.7	Very low	128 Å²	128	145.6 Å²	145.6	78%	0.776	80%	0.804	S	S	*	*			trans	106.5	114.4	171.5	-179.3	0	0	0	0	114.3
347	G	32.7	Very low	35.6	Very low	67 Å²	67	142.1 Å²	142.1	69%	0.691	80%	0.8	S	S	*	*			trans	-111.2	165.9	162.9	0	0	0	0	0	111.9
348	T	37.8	Very low	35.8	Very low	143 Å²	143	146.9 Å²	146.9	88%	0.877	81%	0.808	S	S	*	*			trans	-155.3	155.4	167.5	-73.4	0	0	0	0	108.5
349	L	37.6	Very low	35.7	Very low	158 Å²	158	145.5 Å²	145.5	83%	0.827	81%	0.811	S	S	*	*			trans	-100.4	174.7	-162.6	-69	167.7	0	0	0	114.3
350	D	38.6	Very low	36	Very low	165 Å²	165	144 Å²	144	88%	0.882	81%	0.81	S	S	*	*			trans	95.7	148.3	146.5	-126.9	-52.4	0	0	0	119.3
351	G	39.4	Very low	36.1	Very low	71 Å²	71	143.5 Å²	143.5	73%	0.732	81%	0.807	S	S	*	*			trans	143.3	57.1	-174.1	0	0	0	0	0	116.2
352	D	34.8	Very low	36.2	Very low	113 Å²	113	143.6 Å²	143.6	60%	0.604	80%	0.799	S	S	*	*			trans	-63.8	137	174.2	178.9	29.2	0	0	0	113.5
353	Q	40.5	Very low	36.4	Very low	191 Å²	191	142.6 Å²	142.6	89%	0.893	80%	0.795	S	S	*	*			trans	-158.7	130.9	139.1	-117.7	150.2	112.9	0	0	114.3
354	R	34.8	Very low	36.4	Very low	208 Å²	208	145 Å²	145	79%	0.785	80%	0.798	S	S	*	*			trans	-87.5	152.1	179.2	-59.6	163.2	171.6	-108.1	-3.7	112.2
355	H	38.2	Very low	36.9	Very low	194 Å²	194	140.6 Å²	140.6	90%	0.898	79%	0.787	S	S	*	*			trans	-149.2	115.4	147.3	-106.4	-74.3	0	0	0	112.1
356	E	32.7	Very low	37.4	Very low	188 Å²	188	141.7 Å²	141.7	88%	0.879	79%	0.785	S	S	*	*			trans	-84	148.2	162	-72.4	-165.7	119.1	0	0	111
357	A	36.2	Very low	37.5	Very low	94 Å²	94	144.9 Å²	144.9	78%	0.777	79%	0.789	S	S	*	*			trans	-166.1	100	140.7	0	0	0	0	0	114.4
358	K	34.8	Very low	38.1	Very low	201 Å²	201	153.6 Å²	153.6	87%	0.874	80%	0.8	S	S	*	*			trans	39.2	114.8	135.6	-65.1	169.7	-179.8	169.2	0	120.5
359	S	30.6	Very low	38	Very low	123 Å²	123	154 Å²	154	86%	0.86	79%	0.79	S	S	*	*			trans	-63.2	152.8	153	-37.7	0	0	0	0	112.7
360	P	41	Very low	38.2	Very low	126 Å²	126	154.5 Å²	154.5	82%	0.818	79%	0.793	S	S	*	*			trans	-139.6	144.2	138.6	36.6	-23.6	0	0	0	114.7
361	S	31.4	Very low	38.1	Very low	114 Å²	114	153 Å²	153	80%	0.797	78%	0.78	S	S	*	*			trans	-124	160.3	155.3	73	0	0	0	0	107.1
362	P	39	Very low	38.1	Very low	103 Å²	103	153.2 Å²	153.2	67%	0.669	78%	0.782	S	S	*	*				-158.7	-172.2	69.3	44.2	-23.3	0	0	0	116.8
363	K	36.4	Very low	38.1	Very low	182 Å²	182	155.1 Å²	155.1	79%	0.791	79%	0.793	S	S	*	*			trans	70	153.4	160.7	-64.6	175.4	-176.9	-175.8	0	116.5
364	E	38.5	Very low	37.9	Very low	146 Å²	146	156 Å²	156	68%	0.682	79%	0.788	S	S	*	*			cis	-158.5	176.4	-2.4	-130.7	179.7	97.3	0	0	112.1
365	S	47.5	Very low	38	Very low	91 Å²	91	153.4 Å²	153.4	64%	0.636	79%	0.785	S	S	*	*			trans	100.5	93	152.4	-62.3	0	0	0	0	123.6
366	K	40.5	Very low	37.8	Very low	170 Å²	170	152.7 Å²	152.7	74%	0.739	78%	0.782	S	S	*	*				68.5	131.7	112.7	-85.8	164.4	179.1	143.9	0	123.7
367	K	44.3	Very low	37.9	Very low	195 Å²	195	153 Å²	153	85%	0.848	78%	0.783	S	S	*	*			trans	79.5	145.1	156	-62.7	172.1	179.3	179.8	0	115.8
368	R	44.2	Very low	37.9	Very low	249 Å²	249	155.1 Å²	155.1	94%	0.94	79%	0.786	S	S	*	*			cis	-126	175.7	11	-64.6	178.5	-171	-167.1	3.6	112.6
369	K	37.5	Very low	37.9	Very low	152 Å²	152	151.6 Å²	151.6	66%	0.661	78%	0.784	S	S	*	*			trans	-135.5	139.9	-178	179.2	-158.7	-177.7	-151.8	0	109.9	E371	K369-E371 VanDerWaalsContact CE-CD 3.5Å; K369-E371 WeakPolarHBondContact CE-OE1 3.31Å; K369-E371 VanDerWaalsContact CE-OE2 3.23Å; K369-E371 WeakPolarHBondContact CE-OE2 3.47Å; K369-E371 IonicContact NZ-OE1 2.68Å; K369-E371 PolarHBondContact NZ-OE1 3.3Å; K369-E371 IonicContact NZ-OE2 3.22Å; K369-E371 PolarHBondContact NZ-OE2 3.37Å
370	L	40.8	Very low	38.1	Very low	168 Å²	168	149.2 Å²	149.2	88%	0.88	78%	0.779	S	S	*	*			trans	-159.1	173.1	152.8	-149.7	67.7	0	0	0	110.2
371	E	36.3	Very low	37.8	Very low	134 Å²	134	152.2 Å²	152.2	63%	0.626	78%	0.782	S	S	*	*				-175.2	124	-101.7	175.6	156.1	-139.3	0	0	111.4	K369	K369-E371 VanDerWaalsContact CE-CD 3.5Å; K369-E371 WeakPolarHBondContact CE-OE1 3.31Å; K369-E371 VanDerWaalsContact CE-OE2 3.23Å; K369-E371 WeakPolarHBondContact CE-OE2 3.47Å; K369-E371 IonicContact NZ-OE1 2.68Å; K369-E371 PolarHBondContact NZ-OE1 3.3Å; K369-E371 IonicContact NZ-OE2 3.22Å; K369-E371 PolarHBondContact NZ-OE2 3.37Å
372	G	40.7	Very low	38	Very low	75 Å²	75	152.8 Å²	152.8	77%	0.773	78%	0.782	S	S	*	*			trans	146.4	91.8	-175.8	0	0	0	0	0	111.5
373	N	34.5	Very low	37.7	Very low	153 Å²	153	154.1 Å²	154.1	82%	0.818	78%	0.784	S	S	*	*			cis	98.8	147.1	26.4	-159.9	4.4	0	0	0	113
374	R	35.9	Very low	37.6	Very low	209 Å²	209	151.4 Å²	151.4	79%	0.789	79%	0.785	S	S	*	*			trans	76.6	137.3	-170.6	-84.3	-179.8	148.6	133.2	1	116.4
375	Q	37.4	Very low	37.4	Very low	154 Å²	154	152 Å²	152	72%	0.72	79%	0.788	S	S	*	*			cis	-150.5	144.7	-4.3	-161.5	164.7	-85.2	0	0	112
376	E	33.8	Very low	36.8	Very low	180 Å²	180	151.3 Å²	151.3	84%	0.841	80%	0.796	S	S	*	*			trans	-73.2	148.9	175.4	-65.9	160.1	90.6	0	0	113.1
377	Q	34.8	Very low	37.1	Very low	195 Å²	195	147.1 Å²	147.1	91%	0.911	78%	0.784	S	S	*	*			trans	-137.8	154.7	143.5	-76	-161.3	89.3	0	0	109.8
378	V	35.7	Very low	37.7	Very low	138 Å²	138	140.5 Å²	140.5	84%	0.836	76%	0.762	S	S	*	*			trans	-86.4	146.5	-169.5	172.2	0	0	0	0	110.1
379	P	35	Very low	38.3	Very low	127 Å²	127	134.5 Å²	134.5	83%	0.825	75%	0.745	S	S	*	*			trans	-74.5	145.3	-160.8	27.7	-36.7	0	0	0	115.5
380	G	34.8	Very low	38.9	Very low	73 Å²	73	129.8 Å²	129.8	75%	0.753	73%	0.729	S	S	*	*			trans	-113.9	174.3	160.4	0	0	0	0	0	110.9
381	E	34	Very low	39.6	Very low	189 Å²	189	125.7 Å²	125.7	88%	0.883	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-61.8	153.3	-165.8	-59.2	-170.2	116.1	0	0	115.6	D383	E381-D383 PolarHBondContact O-N 3.33Å
382	P	37.1	Very low	40.5	Very low	125 Å²	125	124.4 Å²	124.4	81%	0.812	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-78.1	116.8	174.9	31.4	-33.3	0	0	0	112
383	D	32.2	Very low	41.1	Very low	131 Å²	131	122.6 Å²	122.6	70%	0.701	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-60	136.2	169.1	-112.6	-48.6	0	0	0	111.3	E381 Q385	E381-D383 PolarHBondContact O-N 3.33Å; D383-Q385 PolarHBondContact O-N 3.32Å
384	P	34.5	Very low	41.6	Very low	126 Å²	126	115.5 Å²	115.5	82%	0.818	63%	0.632	S	S	*	*	S	Bend	trans	-79.8	56.4	-177.6	34	-36.8	0	0	0	112.6
385	Q	34.2	Very low	42	Very low	157 Å²	157	109.8 Å²	109.8	73%	0.734	62%	0.617	S	S	*	*			trans	-109.2	45.9	-179.4	-64.2	-167.5	-4.8	0	0	112.8	D383	D383-Q385 PolarHBondContact O-N 3.32Å
386	G	35.2	Very low	42.6	Very low	78 Å²	78	107.6 Å²	107.6	80%	0.804	61%	0.61	S	S	*	*			trans	-90.7	14	-176.8	0	0	0	0	0	116.6	S388	G386-S388 PolarHBondContact O-N 2.75Å
387	V	45.5	Very low	43.2	Very low	81 Å²	81	102 Å²	102	49%	0.491	59%	0.585	S	S	.	*			trans	-62.9	128.2	175.6	-82	0	0	0	0	111	E391	V387-E391 WeakPolarHBondContact CA-OE2 3.45Å
388	S	58.3	Low	43.6	Very low	56 Å²	56	95.1 Å²	95.1	39%	0.392	55%	0.553	S	S	.	*			trans	-60.3	148.7	-177.5	-180	0	0	0	0	111	G386 V390 E391 K392	G386-S388 PolarHBondContact O-N 2.75Å; S388-V390 PolarHBondContact O-N 3.23Å; S388-V390 PolarHBondContact OG-N 2.73Å; S388-E391 PolarHBondContact N-OE2 3.09Å; S388-E391 WeakPolarHBondContact O-CB 3.45Å; S388-E391 PolarHBondContact O-N 2.82Å; S388-K392 PolarHBondContact O-N 3.29Å
389	E	55.6	Low	43.7	Very low	124 Å²	124	91.5 Å²	91.5	58%	0.579	54%	0.544	S	S	*	.	H	α-helix	trans	-58.8	-29.6	171	-162.2	174.1	-103.3	0	0	111	S197 E391 K392 I393	S197-E389 PolarHBondContact OG-OE2 2.91Å; E389-E391 PolarHBondContact O-N 2.98Å; E389-K392 PolarHBondContact O-N 3.12Å; E389-I393 HydrophobicContact CG-CD1 4.35Å; E389-I393 VanDerWaalsContact O-CB 3.31Å; E389-I393 WeakPolarHBondContact O-CB 3.07Å; E389-I393 WeakPolarHBondContact O-CD1 3.37Å; E389-I393 VanDerWaalsContact O-CG1 3.25Å; E389-I393 WeakPolarHBondContact O-CG1 3.5Å; E389-I393 PolarHBondContact O-N 3.08Å
390	V	51.3	Low	43.9	Very low	53 Å²	53	86.8 Å²	86.8	32%	0.321	51%	0.514	S	S	.	.	H	α-helix	trans	-65.6	-33.6	172.4	-176.1	0	0	0	0	112.4	S388 A394	S388-V390 PolarHBondContact O-N 3.23Å; S388-V390 PolarHBondContact OG-N 2.73Å; V390-A394 WeakPolarHBondContact O-CB 3.33Å; V390-A394 PolarHBondContact O-N 3.48Å
391	E	55.3	Low	44	Very low	81 Å²	81	84.9 Å²	84.9	38%	0.379	49%	0.491	S	S	.	.	H	α-helix	trans	-74.7	-40	175.1	-69.7	176.3	99.9	0	0	111.7	V387 S388 E389 I393 A394 L395	V387-E391 WeakPolarHBondContact CA-OE2 3.45Å; S388-E391 PolarHBondContact N-OE2 3.09Å; S388-E391 WeakPolarHBondContact O-CB 3.45Å; S388-E391 PolarHBondContact O-N 2.82Å; E389-E391 PolarHBondContact O-N 2.98Å; E391-I393 VanDerWaalsContact C-N 3.26Å; E391-I393 PolarHBondContact O-N 3.11Å; E391-A394 PolarHBondContact O-N 2.76Å; E391-L395 WeakPolarHBondContact O-CB 3.44Å; E391-L395 WeakPolarHBondContact O-CG 3.45Å; E391-L395 PolarHBondContact O-N 3.01Å
392	K	53.8	Low	43.8	Very low	108 Å²	108	82 Å²	82	47%	0.47	48%	0.481	S	S	.	.	H	α-helix	trans	-59.3	-41.6	171.3	-62.3	176.4	-171.3	174.2	0	110.3	S388 E389 N396	S388-K392 PolarHBondContact O-N 3.29Å; E389-K392 PolarHBondContact O-N 3.12Å; K392-N396 PolarHBondContact O-N 3.39Å; K392-N396 PolarHBondContact O-ND2 3.15Å
393	I	53.6	Low	43.6	Very low	36 Å²	36	81.1 Å²	81.1	19%	0.185	48%	0.478	C	S	.	.	H	α-helix	trans	-62.3	-49.4	173.8	-79.7	165	0	0	0	111.3	L201 E389 E391 L395 N396 L397	L201-I393 HydrophobicContact CD1-CG2 3.82Å; L201-I393 HydrophobicContact CD2-CG2 3.63Å; L201-I393 HydrophobicContact CG-CG2 4.06Å; E389-I393 HydrophobicContact CG-CD1 4.35Å; E389-I393 VanDerWaalsContact O-CB 3.31Å; E389-I393 WeakPolarHBondContact O-CB 3.07Å; E389-I393 WeakPolarHBondContact O-CD1 3.37Å; E389-I393 VanDerWaalsContact O-CG1 3.25Å; E389-I393 WeakPolarHBondContact O-CG1 3.5Å; E389-I393 PolarHBondContact O-N 3.08Å; E391-I393 VanDerWaalsContact C-N 3.26Å; E391-I393 PolarHBondContact O-N 3.11Å; I393-L395 VanDerWaalsContact C-N 3.34Å; I393-L395 PolarHBondContact O-N 3.39Å; I393-N396 WeakPolarHBondContact O-CB 3.39Å; I393-N396 PolarHBondContact O-N 3.42Å; I393-L397 HydrophobicContact CG2-CD1 4.42Å; I393-L397 VanDerWaalsContact O-CD1 3.29Å; I393-L397 WeakPolarHBondContact O-CD1 3.22Å; I393-L397 PolarHBondContact O-N 3.38Å
394	A	46.5	Very low	43.8	Very low	4 Å²	4	80.8 Å²	80.8	3%	0.033	48%	0.483	C	S	.	.	H	α-helix	trans	-62.2	-40.8	-178.9	0	0	0	0	0	112.2	R57 V390 E391 N396 L397 E398	R57-A394 HydrophobicContact CB-CB 4.48Å; V390-A394 WeakPolarHBondContact O-CB 3.33Å; V390-A394 PolarHBondContact O-N 3.48Å; E391-A394 PolarHBondContact O-N 2.76Å; A394-N396 PolarHBondContact O-N 3Å; A394-L397 PolarHBondContact O-N 3.45Å; A394-E398 WeakPolarHBondContact O-CB 3.2Å; A394-E398 PolarHBondContact O-N 2.63Å
395	L	44.2	Very low	43.5	Very low	90 Å²	90	81 Å²	81	47%	0.471	48%	0.482	S	S	.	.	H	α-helix	trans	-59.5	-29.5	172.8	-76.4	167.3	0	0	0	113.4	R57 E391 I393 G399	R57-L395 VanDerWaalsContact NH2-CD2 3.31Å; E391-L395 WeakPolarHBondContact O-CB 3.44Å; E391-L395 WeakPolarHBondContact O-CG 3.45Å; E391-L395 PolarHBondContact O-N 3.01Å; I393-L395 VanDerWaalsContact C-N 3.34Å; I393-L395 PolarHBondContact O-N 3.39Å; L395-G399 PolarHBondContact O-N 3.05Å
396	N	48.6	Very low	43.3	Very low	108 Å²	108	79 Å²	79	58%	0.578	49%	0.485	S	S	*	.	H	α-helix	trans	-77.2	-18	175.6	-81.1	-80.2	0	0	0	113.7	K392 I393 A394	K392-N396 PolarHBondContact O-N 3.39Å; K392-N396 PolarHBondContact O-ND2 3.15Å; I393-N396 WeakPolarHBondContact O-CB 3.39Å; I393-N396 PolarHBondContact O-N 3.42Å; A394-N396 PolarHBondContact O-N 3Å
397	L	47.2	Very low	43.2	Very low	61 Å²	61	84.3 Å²	84.3	32%	0.319	49%	0.489	S	S	.	.	H	α-helix	trans	-84.7	-47.3	167.4	-78.9	76.4	0	0	0	110.1	L201 I393 A394 G399 C400 A401	L201-L397 HydrophobicContact CD1-CD1 4.12Å; L201-L397 HydrophobicContact CD2-CD1 3.83Å; L201-L397 HydrophobicContact CD2-CD2 4.47Å; I393-L397 HydrophobicContact CG2-CD1 4.42Å; I393-L397 VanDerWaalsContact O-CD1 3.29Å; I393-L397 WeakPolarHBondContact O-CD1 3.22Å; I393-L397 PolarHBondContact O-N 3.38Å; A394-L397 PolarHBondContact O-N 3.45Å; L397-G399 VanDerWaalsContact C-N 3.35Å; L397-G399 PolarHBondContact O-N 3.32Å; L397-C400 PolarHBondContact O-N 2.9Å; L397-C400 VanDerWaalsContact O-N 3.08Å; L397-A401 PolarHBondContact O-N 3.45Å
398	E	42.4	Very low	42.4	Very low	51 Å²	51	89 Å²	89	24%	0.238	51%	0.506	C	S	.	.	H	α-helix	trans	-64.4	-37.2	-175.8	-157.1	165	-95.8	0	0	112.2	R57 A394 C400 A401 L402	R57-E398 WeakPolarHBondContact CD-OE1 3.34Å; R57-E398 WeakPolarHBondContact CG-OE1 3.49Å; R57-E398 IonicContact CZ-OE2 3.82Å; R57-E398 IonicContact NE-OE1 3.24Å; R57-E398 PolarHBondContact NE-OE1 3.09Å; R57-E398 IonicContact NE-OE2 2.94Å; R57-E398 PolarHBondContact NE-OE2 3.04Å; R57-E398 IonicContact NH2-OE2 2.97Å; R57-E398 PolarHBondContact NH2-OE2 3.12Å; A394-E398 WeakPolarHBondContact O-CB 3.2Å; A394-E398 PolarHBondContact O-N 2.63Å; E398-C400 PolarHBondContact O-N 2.74Å; E398-A401 PolarHBondContact O-N 3.39Å; E398-L402 HydrophobicContact CG-CD1 4.34Å; E398-L402 PolarHBondContact O-N 3.47Å
399	G	38.7	Very low	41.3	Very low	63 Å²	63	92.5 Å²	92.5	65%	0.649	53%	0.527	S	S	*	.	H	α-helix	trans	-66.6	-10.2	173.9	0	0	0	0	0	115.4	L395 L397	L395-G399 PolarHBondContact O-N 3.05Å; L397-G399 VanDerWaalsContact C-N 3.35Å; L397-G399 PolarHBondContact O-N 3.32Å
400	C	39	Very low	40.2	Very low	27 Å²	27	97.3 Å²	97.3	18%	0.182	54%	0.54	C	S	.	.	H	α-helix	trans	-96.1	-21.5	168.3	-62.2	0	0	0	0	112.4	P130 L397 E398	P130-C400 HydrophobicContact CG-CB 4.16Å; P130-C400 WeakPolarHBondContact CG-O 3.46Å; L397-C400 PolarHBondContact O-N 2.9Å; L397-C400 VanDerWaalsContact O-N 3.08Å; E398-C400 PolarHBondContact O-N 2.74Å
401	A	36.6	Very low	39.2	Very low	33 Å²	33	104.3 Å²	104.3	27%	0.273	57%	0.569	S	S	.	*	H	α-helix	trans	-89.7	-21.2	-174.5	0	0	0	0	0	114.1	L397 E398	L397-A401 PolarHBondContact O-N 3.45Å; E398-A401 PolarHBondContact O-N 3.39Å
402	L	30.4	Very low	38.3	Very low	130 Å²	130	105.1 Å²	105.1	68%	0.681	59%	0.589	S	S	*	*			trans	-126.6	68.9	-173	-63.8	176.9	0	0	0	112.5	E398 P404	E398-L402 HydrophobicContact CG-CD1 4.34Å; E398-L402 PolarHBondContact O-N 3.47Å; L402-P404 WeakPolarHBondContact O-CD 3.43Å
403	S	32.6	Very low	37.2	Very low	105 Å²	105	108.9 Å²	108.9	73%	0.734	61%	0.609	S	S	*	*			trans	-89	112.8	168.7	58.1	0	0	0	0	111.1
404	P	35.5	Very low	36.3	Very low	124 Å²	124	116.5 Å²	116.5	81%	0.805	64%	0.643	S	S	*	*			trans	-66.4	159.3	168.1	29.3	-34	0	0	0	111	L402	L402-P404 WeakPolarHBondContact O-CD 3.43Å
405	T	28.1	Very low	35.6	Very low	132 Å²	132	121.4 Å²	121.4	81%	0.81	68%	0.675	S	S	*	*	S	Bend	trans	-67.1	144.9	-169.4	30.8	0	0	0	0	115
406	S	31.3	Very low	34.8	Very low	114 Å²	114	122.5 Å²	122.5	80%	0.797	69%	0.689	S	S	*	*			trans	61.6	87.2	153	-57	0	0	0	0	118.7
407	Q	33.6	Very low	34.1	Very low	190 Å²	190	125 Å²	125	89%	0.888	70%	0.701	S	S	*	*			trans	-147.9	117.6	146.6	-115.6	175.4	15.3	0	0	111.8	P409	Q407-P409 WeakPolarHBondContact O-CD 3.37Å
408	E	26.9	Very low	33.5	Very low	180 Å²	180	128.9 Å²	128.9	84%	0.841	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-73.3	125.4	166.9	-70.5	-174.1	123	0	0	110.7
409	P	36	Very low	33.2	Very low	128 Å²	128	131 Å²	131	83%	0.831	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-88.7	117.5	160.8	-1.7	22.8	0	0	0	108.8	Q407	Q407-P409 WeakPolarHBondContact O-CD 3.37Å
410	R	33.4	Very low	32.8	Very low	225 Å²	225	139.6 Å²	139.6	85%	0.849	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-66.3	156.3	-179.8	-68.3	-176.6	173.5	-159.2	-3.9	112.9	A412	R410-A412 PolarHBondContact O-N 2.73Å
411	E	30.4	Very low	32.7	Very low	201 Å²	201	145 Å²	145	94%	0.939	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-48.9	131.3	172.9	-58.7	175.1	123.4	0	0	112.5
412	A	35.9	Very low	32.8	Very low	97 Å²	97	147.5 Å²	147.5	80%	0.802	82%	0.819	S	S	*	*			trans	-146.6	93.5	172.7	0	0	0	0	0	110.5	R410	R410-A412 PolarHBondContact O-N 2.73Å
413	E	30.5	Very low	33.2	Very low	187 Å²	187	148.8 Å²	148.8	87%	0.874	83%	0.827	S	S	*	*			trans	-66.4	134.7	166.6	-63.4	-172.7	110.7	0	0	111.1
414	Q	33.6	Very low	33.6	Very low	196 Å²	196	150.2 Å²	150.2	92%	0.916	82%	0.822	S	S	*	*			trans	-168.7	156.9	134.2	-106.9	164.6	84.2	0	0	112.1
415	P	31.9	Very low	33.7	Very low	107 Å²	107	150.2 Å²	150.2	70%	0.695	82%	0.819	S	S	*	*			trans	-132.1	170.9	-146.1	44.4	-31.1	0	0	0	117.7
416	C	28.9	Very low	34.2	Very low	114 Å²	114	152.2 Å²	152.2	77%	0.77	81%	0.812	S	S	*	*			trans	68.5	139.7	158.8	-68.6	0	0	0	0	119.6
417	L	32.8	Very low	34.4	Very low	159 Å²	159	156.1 Å²	156.1	83%	0.832	82%	0.815	S	S	*	*				175.2	150	102.3	-91.1	174.2	0	0	0	113.4
418	V	34.6	Very low	34.8	Very low	144 Å²	144	159 Å²	159	87%	0.873	82%	0.818	S	S	*	*			trans	59.8	146.8	171	-115.6	0	0	0	0	116.3
419	A	36.1	Very low	35.4	Very low	96 Å²	96	162 Å²	162	79%	0.793	82%	0.821	S	S	*	*			cis	-139.7	175.8	9.4	0	0	0	0	0	114.4
420	R	30.8	Very low	35.5	Very low	243 Å²	243	164.7 Å²	164.7	92%	0.917	82%	0.82	S	S	*	*			trans	-121.4	139.1	-174.1	-79.2	174.3	161.7	167.2	-5.9	113.2
421	V	37.3	Very low	35.8	Very low	139 Å²	139	159 Å²	159	84%	0.842	81%	0.81	S	S	*	*			trans	-143	105.9	148.2	-177.3	0	0	0	0	105.3
422	A	38.8	Very low	36.3	Very low	87 Å²	87	157.3 Å²	157.3	72%	0.719	80%	0.802	S	S	*	*				57	137.2	98.1	0	0	0	0	0	114.5
423	N	37.9	Very low	36.4	Very low	157 Å²	157	161.4 Å²	161.4	84%	0.84	81%	0.805	S	S	*	*			cis	-150.8	-175.5	21.1	-147.1	-6.5	0	0	0	115
424	E	40.9	Very low	36.8	Very low	134 Å²	134	156 Å²	156	63%	0.626	80%	0.799	S	S	*	*			trans	-62.6	147.4	-165.2	-56.4	-172.5	111.7	0	0	120	R426	E424-R426 IonicContact OE2-CZ 3.6Å; E424-R426 IonicContact OE2-NE 3.68Å; E424-R426 PolarHBondContact OE2-NE 2.76Å; E424-R426 IonicContact OE2-NH2 2.81Å; E424-R426 PolarHBondContact OE2-NH2 3.2Å
425	V	38.6	Very low	37	Very low	124 Å²	124	151.3 Å²	151.3	75%	0.752	79%	0.794	S	S	*	*				-172.5	154.6	125.7	137.6	0	0	0	0	109.4
426	R	38.6	Very low	37.4	Very low	175 Å²	175	155.9 Å²	155.9	66%	0.66	81%	0.806	S	S	*	*				-152.3	-149.4	-52.7	-130	160.1	-111	140.1	-5	108.5	E424	E424-R426 IonicContact OE2-CZ 3.6Å; E424-R426 IonicContact OE2-NE 3.68Å; E424-R426 PolarHBondContact OE2-NE 2.76Å; E424-R426 IonicContact OE2-NH2 2.81Å; E424-R426 PolarHBondContact OE2-NH2 3.2Å
427	K	34.6	Very low	38	Very low	196 Å²	196	153.8 Å²	153.8	85%	0.852	80%	0.804	S	S	*	*			trans	-150.1	164.7	-170.9	-83.1	-174.3	176.9	174.3	0	117.3
428	R	41.5	Very low	38.4	Very low	251 Å²	251	154.9 Å²	154.9	95%	0.947	81%	0.81	S	S	*	*			trans	102.8	141.1	174	-59.6	153	178.5	159.1	-2.7	112.8
429	R	39.9	Very low	38.8	Very low	242 Å²	242	151.1 Å²	151.1	91%	0.913	80%	0.801	S	S	*	*			cis	-127.9	176.6	-10.3	-58.9	-174.9	179.9	106	-11	108.1
430	K	38.6	Very low	39.1	Very low	184 Å²	184	153.7 Å²	153.7	80%	0.8	81%	0.806	S	S	*	*			cis	83.9	118.1	-1	-163.4	167	-179.7	173.2	0	123
431	V	39.9	Very low	39.7	Very low	106 Å²	106	146.1 Å²	146.1	64%	0.642	80%	0.796	S	S	*	*			trans	74.8	117.3	156.9	159.3	0	0	0	0	119.1
432	E	40.7	Very low	40.1	Very low	165 Å²	165	144 Å²	144	77%	0.771	79%	0.787	S	S	*	*				-160.7	-176.1	109.8	-86.5	-68	66.2	0	0	109.5
433	E	38.6	Very low	40.3	Very low	184 Å²	184	146.9 Å²	146.9	86%	0.86	79%	0.791	S	S	*	*			trans	-73.1	-178.4	-169.6	-49.4	174.8	121.2	0	0	114.9
434	G	39	Very low	40.4	Very low	74 Å²	74	144.4 Å²	144.4	76%	0.763	78%	0.781	S	S	*	*			cis	-174.5	178.3	9.3	0	0	0	0	0	114.1
435	A	38	Very low	40.4	Very low	97 Å²	97	146 Å²	146	80%	0.802	79%	0.789	S	S	*	*			trans	-80.9	-173.9	-164	0	0	0	0	0	118.5
436	E	39.2	Very low	40.6	Very low	203 Å²	203	145.3 Å²	145.3	95%	0.949	78%	0.784	S	S	*	*			trans	80	141.6	172.3	-50.8	-176.1	163.3	0	0	116.4
437	G	40.9	Very low	40.6	Very low	70 Å²	70	145.3 Å²	145.3	72%	0.722	79%	0.792	S	S	*	*			cis	-178.5	162.4	-5.2	0	0	0	0	0	112.8
438	D	43	Very low	40.6	Very low	181 Å²	181	139.9 Å²	139.9	97%	0.968	78%	0.783	S	S	*	*			trans	57.5	154.8	-179.7	-66.3	-31.1	0	0	0	117.6
439	G	41.9	Very low	40.5	Very low	66 Å²	66	133.8 Å²	133.8	68%	0.68	78%	0.78	S	S	*	*			cis	175.5	146.7	-6	0	0	0	0	0	106.9
440	V	42.7	Very low	40.2	Very low	149 Å²	149	126.3 Å²	126.3	90%	0.903	77%	0.769	S	S	*	*				-172.8	168.1	58	155.1	0	0	0	0	109.5
441	A	44.2	Very low	40.2	Very low	85 Å²	85	125.9 Å²	125.9	70%	0.702	78%	0.775	S	S	*	*			trans	-39	165.1	177	0	0	0	0	0	118.5
442	S	45.4	Very low	40	Very low	95 Å²	95	126.1 Å²	126.1	66%	0.664	78%	0.781	S	S	*	*			cis	-168.1	148.6	35.4	-149.2	0	0	0	0	116.1
443	N	43.1	Very low	40	Very low	147 Å²	147	123.9 Å²	123.9	79%	0.786	78%	0.781	S	S	*	*			trans	49.4	139.9	135.8	-73.1	9.6	0	0	0	121.8
444	T	39.8	Very low	39.8	Very low	105 Å²	105	121.3 Å²	121.3	64%	0.644	78%	0.778	S	S	*	*			cis	-156.4	132.6	9.7	-67.6	0	0	0	0	107.2
445	Q	41	Very low	40.1	Very low	167 Å²	167	123 Å²	123	78%	0.78	78%	0.776	S	S	*	*				51.5	143.6	93.7	-116	-169.7	-19.5	0	0	115.3
446	V	41.1	Very low	40.1	Very low	109 Å²	109	123.2 Å²	123.2	66%	0.661	77%	0.771	S	S	*	*			cis	-144.5	157.2	18.2	-169.8	0	0	0	0	112.2
447	Q	38.7	Very low	40	Very low	175 Å²	175	122.1 Å²	122.1	82%	0.818	77%	0.766	S	S	*	*			trans	-44.7	177.4	159.8	-62.6	153.7	7.2	0	0	116.1
448	A	35	Very low	39.5	Very low	82 Å²	82	124.6 Å²	124.6	68%	0.678	77%	0.771	S	S	*	*			cis	177.5	169.9	-30.7	0	0	0	0	0	108.7
449	S	40.3	Very low	39.5	Very low	124 Å²	124	121 Å²	121	87%	0.867	76%	0.757	S	S	*	*			trans	68.1	160.4	166.9	-53.9	0	0	0	0	117.7
450	A	32.8	Very low	39.2	Very low	84 Å²	84	126.5 Å²	126.5	69%	0.694	77%	0.766	S	S	*	*			cis	-180	168.7	-35	0	0	0	0	0	108.1
451	L	38.2	Very low	39.1	Very low	175 Å²	175	123.7 Å²	123.7	92%	0.916	75%	0.752	S	S	*	*			trans	85	132.6	165.7	-53.8	167.4	0	0	0	119
452	S	37.1	Very low	38.7	Very low	111 Å²	111	127.5 Å²	127.5	78%	0.776	76%	0.755	S	S	*	*			trans	-101.5	-175.8	166	59.5	0	0	0	0	108.8
453	P	41.1	Very low	38.5	Very low	118 Å²	118	129.7 Å²	129.7	77%	0.766	75%	0.753	S	S	*	*			cis	-142.5	-153.9	24.9	44.1	-21	0	0	0	116.7
454	T	34.2	Very low	38.5	Very low	130 Å²	130	129.1 Å²	129.1	80%	0.798	75%	0.75	S	S	*	*			trans	-83.1	-168.6	-172.1	53.9	0	0	0	0	113.2
455	P	44.1	Very low	38.5	Very low	111 Å²	111	127.6 Å²	127.6	72%	0.721	76%	0.755	S	S	*	*			cis	-142.9	-157	7.6	46	-24.8	0	0	0	116.9
456	S	37.6	Very low	38.4	Very low	100 Å²	100	128.1 Å²	128.1	70%	0.699	76%	0.763	S	S	*	*			trans	76.3	151.9	168.5	-69.6	0	0	0	0	117.4
457	E	37.4	Very low	38.1	Very low	181 Å²	181	126.1 Å²	126.1	85%	0.846	77%	0.765	S	S	*	*			cis	-154.4	167.8	8.1	-130.9	158.4	165	0	0	111.7
458	C	31.8	Very low	38.3	Very low	121 Å²	121	123.6 Å²	123.6	82%	0.818	76%	0.764	S	S	*	*			trans	-117.9	165.7	171.8	-59.1	0	0	0	0	111
459	P	41.5	Very low	38.5	Very low	106 Å²	106	128.8 Å²	128.8	69%	0.688	77%	0.774	S	S	*	*				-155	158	108.7	39.9	-22.7	0	0	0	117.5
460	E	36.4	Very low	38.5	Very low	182 Å²	182	129.1 Å²	129.1	85%	0.85	77%	0.766	S	S	*	*			trans	44.6	155.3	131.2	-58.4	-173.7	115.4	0	0	122.3
461	S	40.7	Very low	39	Very low	89 Å²	89	130.7 Å²	130.7	62%	0.622	77%	0.769	S	S	*	*			cis	-168.1	153.4	14.2	18.8	0	0	0	0	113.6
462	Q	36.1	Very low	38.7	Very low	165 Å²	165	130.6 Å²	130.6	77%	0.771	76%	0.761	S	S	*	*			trans	67.1	153.8	141.8	-67	-178.1	15.6	0	0	119.7
463	K	40.6	Very low	38.6	Very low	141 Å²	141	130.5 Å²	130.5	61%	0.613	76%	0.761	S	S	*	*			cis	-164.2	161.1	-0.5	-122.7	177.6	161.1	-68.7	0	113.4
464	D	43.2	Very low	38.4	Very low	136 Å²	136	134.4 Å²	134.4	73%	0.727	77%	0.768	S	S	*	*			trans	42.2	141.4	151.5	-45.5	-28	0	0	0	121.7
465	G	40.1	Very low	38.5	Very low	72 Å²	72	135.3 Å²	135.3	74%	0.742	77%	0.774	S	S	*	*			cis	165.6	171.4	-4.7	0	0	0	0	0	114.5
466	N	38.8	Very low	38.3	Very low	178 Å²	178	133.3 Å²	133.3	95%	0.952	77%	0.773	S	S	*	*			trans	73.4	134.4	173.5	-75.7	-19.7	0	0	0	121.6
467	G	34.1	Very low	38.5	Very low	68 Å²	68	134.6 Å²	134.6	70%	0.701	78%	0.779	S	S	*	*			trans	-111.8	-137.4	156.2	0	0	0	0	0	109.9
468	P	43.5	Very low	38.3	Very low	122 Å²	122	135.3 Å²	135.3	79%	0.792	78%	0.782	S	S	*	*			cis	-136.4	-145.3	-4.1	41	-19.7	0	0	0	112.9
469	E	38.9	Very low	39	Very low	190 Å²	190	137.2 Å²	137.2	89%	0.888	78%	0.784	S	S	*	*			trans	102.2	134.2	164.6	-55.1	-167.5	164	0	0	119.6
470	D	41	Very low	39	Very low	131 Å²	131	137.4 Å²	137.4	70%	0.701	79%	0.785	S	S	*	*			trans	-111.4	145.2	178.6	161.5	55.7	0	0	0	109.1	K472	D470-K472 PolarHBondContact OD1-N 2.95Å
471	P	42	Very low	39	Very low	117 Å²	117	138.6 Å²	138.6	76%	0.76	79%	0.788	S	S	*	*				-149.9	123.5	115.2	34.2	-15.7	0	0	0	116.4
472	K	33.7	Very low	38.7	Very low	174 Å²	174	139.8 Å²	139.8	76%	0.757	80%	0.796	S	S	*	*				51.7	141.1	129.1	-68.1	-176.6	176.5	177.5	0	122.5	D470	D470-K472 PolarHBondContact OD1-N 2.95Å
473	S	33.3	Very low	38.8	Very low	109 Å²	109	140.9 Å²	140.9	76%	0.762	80%	0.801	S	S	*	*			trans	75.5	107	148	-62.6	0	0	0	0	120
474	Q	38.5	Very low	38.6	Very low	199 Å²	199	141.1 Å²	141.1	93%	0.93	81%	0.814	S	S	*	*			trans	-149.3	159.3	134.6	-125.3	157.7	99.9	0	0	110.6
475	V	36	Very low	38.7	Very low	150 Å²	150	137.4 Å²	137.4	91%	0.909	81%	0.808	S	S	*	*			trans	-132.3	142.9	-167.4	172.9	0	0	0	0	110.9
476	G	39.1	Very low	38.7	Very low	68 Å²	68	140.3 Å²	140.3	70%	0.701	81%	0.814	S	S	*	*			trans	114	170.6	165.8	0	0	0	0	0	114.7
477	P	41.4	Very low	38.7	Very low	127 Å²	127	141 Å²	141	83%	0.825	81%	0.811	S	S	*	*			cis	-106.7	179.6	1.7	40.1	-32	0	0	0	114
478	E	34	Very low	39.3	Very low	196 Å²	196	145 Å²	145	92%	0.916	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-80.1	146.1	167.4	-58.2	175	136.7	0	0	111
479	D	45.7	Very low	39.8	Very low	161 Å²	161	144.8 Å²	144.8	86%	0.861	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-98.4	153.9	178.5	-133.2	34.3	0	0	0	111.6
480	P	42	Very low	39.9	Very low	110 Å²	110	145.1 Å²	145.1	71%	0.714	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-95.2	150.6	-150.4	-5.1	24.6	0	0	0	116.7	S482	P480-S482 PolarHBondContact O-N 3.38Å
481	K	35.8	Very low	39.6	Very low	208 Å²	208	144.4 Å²	144.4	90%	0.904	82%	0.819	S	S	*	*			trans	-69.6	111.5	166.9	-70.6	-179.6	177.4	177.3	0	112.6
482	S	35.4	Very low	39.7	Very low	114 Å²	114	148.2 Å²	148.2	80%	0.797	83%	0.826	S	S	*	*			trans	-176.4	142.1	158	-84.7	0	0	0	0	108.3	P480	P480-S482 PolarHBondContact O-N 3.38Å
483	Q	37.9	Very low	40.1	Very low	188 Å²	188	146.7 Å²	146.7	88%	0.879	83%	0.832	S	S	*	*			cis	-142.6	167.8	24.5	-62.6	177.5	0.8	0	0	111.9
484	V	36.8	Very low	40.7	Very low	146 Å²	146	144.2 Å²	144.2	89%	0.885	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-92.1	123.9	166.5	175.7	0	0	0	0	109.4
485	G	43.9	Very low	41.4	Very low	58 Å²	58	141 Å²	141	60%	0.598	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-83.4	163.5	173.8	0	0	0	0	0	113.3
486	P	41	Very low	41.8	Very low	133 Å²	133	143.2 Å²	143.2	86%	0.864	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-79.6	160.9	-164.7	32	-36.9	0	0	0	115.4
487	E	38.1	Very low	42.2	Very low	192 Å²	192	147.4 Å²	147.4	90%	0.897	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-64.2	147.1	174.9	-58.3	179.7	132.7	0	0	113.1
488	D	47.4	Very low	42.8	Very low	153 Å²	153	146.9 Å²	146.9	82%	0.818	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-73.1	127	-176.1	-161.6	15.8	0	0	0	112.2	K490	D488-K490 PolarHBondContact O-N 3.13Å
489	P	53.7	Low	43.3	Very low	116 Å²	116	147.1 Å²	147.1	75%	0.753	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-69.9	128.4	-175.2	25.5	-35.3	0	0	0	113.9	S491	P489-S491 PolarHBondContact O-N 3.43Å
490	K	40.4	Very low	43.2	Very low	198 Å²	198	144.5 Å²	144.5	86%	0.861	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-54.5	129.4	-176.7	-72	164.3	179.3	158.4	0	114.5	D488	D488-K490 PolarHBondContact O-N 3.13Å
491	S	36	Very low	43.1	Very low	115 Å²	115	148.9 Å²	148.9	80%	0.804	83%	0.826	S	S	*	*			trans	11	111.2	155.3	-49.5	0	0	0	0	117.9	P489	P489-S491 PolarHBondContact O-N 3.43Å
492	Q	43.4	Very low	43.5	Very low	197 Å²	197	145.6 Å²	145.6	92%	0.921	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-88	142.5	150.3	-69.8	-165.7	0.7	0	0	110.4
493	V	41.9	Very low	44	Very low	143 Å²	143	142.9 Å²	142.9	87%	0.867	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-84.6	121.1	-179.2	177.5	0	0	0	0	109.2
494	G	46.2	Very low	44.8	Very low	56 Å²	56	140.4 Å²	140.4	58%	0.577	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-69.7	149.5	170.5	0	0	0	0	0	111.8
495	P	53.2	Low	45	Very low	133 Å²	133	142.7 Å²	142.7	86%	0.864	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-67	150.8	178.9	29.2	-35.1	0	0	0	112.2
496	E	45	Very low	45.2	Very low	196 Å²	196	147.1 Å²	147.1	92%	0.916	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-69	129.7	179.9	-59.8	-176.6	129	0	0	112.1
497	D	47.4	Very low	45.6	Very low	155 Å²	155	146.5 Å²	146.5	83%	0.829	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-80.9	130.9	177.5	-143.5	7.9	0	0	0	110.2	K499	D497-K499 PolarHBondContact O-N 3.26Å
498	P	54.5	Low	45.8	Very low	116 Å²	116	147.2 Å²	147.2	75%	0.753	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-72	131.8	-171.5	27.1	-33.9	0	0	0	113	S500	P498-S500 PolarHBondContact O-N 2.93Å
499	K	44	Very low	45.5	Very low	202 Å²	202	143.4 Å²	143.4	88%	0.878	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-63.6	127.4	-173.3	-70	173.8	179.2	169.5	0	114	D497	D497-K499 PolarHBondContact O-N 3.26Å
500	S	42.2	Very low	44.8	Very low	106 Å²	106	147.6 Å²	147.6	74%	0.741	83%	0.827	S	S	*	*			trans	31.3	108.6	146.8	-51.6	0	0	0	0	118.8	P498	P498-S500 PolarHBondContact O-N 2.93Å
501	Q	41.4	Very low	45	Very low	201 Å²	201	145 Å²	145	94%	0.939	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-84.8	132.2	144.1	-68.7	-170.2	2.4	0	0	109.2
502	V	44.7	Very low	45.3	Very low	140 Å²	140	148.1 Å²	148.1	85%	0.848	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-87.4	131.9	175.3	179.9	0	0	0	0	108.7
503	G	45.5	Very low	45.8	Very low	57 Å²	57	144.6 Å²	144.6	59%	0.588	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-72.9	159	179.3	0	0	0	0	0	113.5
504	P	53.3	Low	46	Very low	135 Å²	135	147 Å²	147	88%	0.877	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-72.5	140.8	173.5	31	-34.1	0	0	0	111.6
505	E	42.7	Very low	45.9	Very low	194 Å²	194	151 Å²	151	91%	0.907	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-76.6	152.6	173.8	-67.3	-174.1	116.9	0	0	112.8
506	D	47.3	Very low	46.1	Very low	152 Å²	152	150 Å²	150	81%	0.813	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-85.8	128.4	-173.2	-152.7	9	0	0	0	112	K508	D506-K508 PolarHBondContact O-N 3.2Å
507	P	50.5	Low	46.1	Very low	119 Å²	119	150 Å²	150	77%	0.773	82%	0.824	S	S	*	*			trans	-76.8	111.4	-175.4	29.1	-34.8	0	0	0	113	G509	P507-G509 PolarHBondContact O-N 3.45Å
508	K	42.3	Very low	45.7	Very low	208 Å²	208	146.1 Å²	146.1	90%	0.904	82%	0.821	S	S	*	*			trans	-62.2	129.5	177.7	-68.6	176	179.1	172	0	113.6	D506	D506-K508 PolarHBondContact O-N 3.2Å
509	G	39.6	Very low	45.1	Very low	73 Å²	73	150 Å²	150	75%	0.753	83%	0.829	S	S	*	*			trans	72.4	99.6	144.2	0	0	0	0	0	117.7	P507	P507-G509 PolarHBondContact O-N 3.45Å
510	Q	39	Very low	45.2	Very low	204 Å²	204	147.5 Å²	147.5	95%	0.953	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-99.9	151.7	150.2	-75.9	-167	-20.7	0	0	110.4
511	V	45.9	Very low	45	Very low	142 Å²	142	145.5 Å²	145.5	86%	0.861	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-89.5	146.6	-171.6	-178.4	0	0	0	0	110.5
512	E	41.5	Very low	45.6	Very low	181 Å²	181	142.2 Å²	142.2	85%	0.846	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-59.5	131.4	174.4	-63	-179.7	122.4	0	0	111.9
513	P	54.8	Low	45.7	Very low	124 Å²	124	145 Å²	145	81%	0.805	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-81.9	139.9	164.4	32.7	-31.7	0	0	0	110.9
514	E	45.5	Very low	45.5	Very low	193 Å²	193	148.8 Å²	148.8	90%	0.902	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-67.8	152.2	-178.1	-63.4	-175	122.8	0	0	114.1	P516	E514-P516 WeakPolarHBondContact O-CD 3.25Å
515	D	44.4	Very low	45.8	Very low	139 Å²	139	147.7 Å²	147.7	74%	0.743	83%	0.825	S	S	*	*			trans	-68.8	116	-173.3	178.6	33.1	0	0	0	114.4	K517	D515-K517 PolarHBondContact O-N 2.91Å
516	P	56.9	Low	45.9	Very low	112 Å²	112	147.9 Å²	147.9	73%	0.727	82%	0.823	S	S	*	*			trans	-83.3	100.7	179.7	32.9	-32.7	0	0	0	112.1	E514 G518	E514-P516 WeakPolarHBondContact O-CD 3.25Å; P516-G518 PolarHBondContact O-N 2.91Å
517	K	44.5	Very low	45.6	Very low	197 Å²	197	144 Å²	144	86%	0.857	82%	0.819	S	S	*	*			trans	-47.5	124.3	174.8	-73	168	-178.3	158.7	0	112.3	D515	D515-K517 PolarHBondContact O-N 2.91Å
518	G	38.9	Very low	45.4	Very low	74 Å²	74	147.9 Å²	147.9	76%	0.763	83%	0.827	S	S	*	*			trans	-70.9	168.6	-162.9	0	0	0	0	0	117.3	P516	P516-G518 PolarHBondContact O-N 2.91Å
519	Q	43.4	Very low	45.7	Very low	198 Å²	198	145 Å²	145	93%	0.925	83%	0.826	S	S	*	*			trans	-127.1	165.4	167	-72.3	-167.2	21.2	0	0	111.3
520	V	44.9	Very low	45.9	Very low	149 Å²	149	144.2 Å²	144.2	90%	0.903	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-82.9	138.2	-168.9	-173.3	0	0	0	0	111.3
521	G	38.4	Very low	47.2	Very low	64 Å²	64	141 Å²	141	66%	0.66	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-81.6	158.8	-178.7	0	0	0	0	0	115.1
522	P	54.5	Low	47.2	Very low	132 Å²	132	143.5 Å²	143.5	86%	0.857	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-93.5	170.9	169.2	37.8	-33.9	0	0	0	113.1
523	E	45.5	Very low	47.7	Very low	199 Å²	199	142.1 Å²	142.1	93%	0.93	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-86.9	171.2	-172.1	-63.5	-179.6	117.1	0	0	115.9
524	D	41.9	Very low	48.2	Very low	136 Å²	136	141.8 Å²	141.8	73%	0.727	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-74	129.3	-167.5	174.2	45.7	0	0	0	116.5
525	P	58.9	Low	48.4	Very low	112 Å²	112	142.4 Å²	142.4	73%	0.727	81%	0.814	S	S	*	*			trans	-97.4	111.4	170.3	35.4	-29.1	0	0	0	113.3	G527	P525-G527 PolarHBondContact O-N 3.05Å
526	K	45.3	Very low	48.4	Very low	197 Å²	197	139.3 Å²	139.3	86%	0.857	82%	0.815	S	S	*	*			trans	-59.8	121	-178.2	-65.4	170.8	-177.5	168.6	0	114.8
527	G	41.1	Very low	47.9	Very low	71 Å²	71	143.3 Å²	143.3	73%	0.732	82%	0.824	S	S	*	*			trans	63.2	113.7	134.5	0	0	0	0	0	119.7	P525	P525-G527 PolarHBondContact O-N 3.05Å
528	Q	46.6	Very low	48	Very low	200 Å²	200	140.8 Å²	140.8	94%	0.935	83%	0.825	S	S	*	*			trans	-122.9	166.7	152.8	-72.1	-163	13.2	0	0	111.3
529	V	47.5	Very low	48.4	Very low	147 Å²	147	139.9 Å²	139.9	89%	0.891	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-89.4	140.8	-166.6	-174	0	0	0	0	111
530	G	44.9	Very low	49.5	Very low	58 Å²	58	136.8 Å²	136.8	60%	0.598	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-75.1	161.3	179.1	0	0	0	0	0	114.4
531	P	65.5	Low	49.6	Very low	135 Å²	135	138.8 Å²	138.8	88%	0.877	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-74	160.5	175.3	32.4	-35.6	0	0	0	112.9
532	E	47.2	Very low	50.2	Low	195 Å²	195	142.9 Å²	142.9	91%	0.911	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-84.5	157.7	177.8	-63.3	-173.1	120.4	0	0	113.2
533	D	50.5	Low	50.6	Low	153 Å²	153	142.5 Å²	142.5	82%	0.818	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-62.3	138.5	176.3	-105.8	-37.1	0	0	0	113.4	K535	D533-K535 PolarHBondContact O-N 2.76Å
534	P	67	Low	50.7	Low	116 Å²	116	142.4 Å²	142.4	75%	0.753	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-72.9	118.6	173	30.2	-32.9	0	0	0	111.2
535	K	49.6	Very low	50.7	Low	206 Å²	206	141 Å²	141	90%	0.896	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-68	141.6	170.4	-73.4	171.2	-178.4	161	0	110.6	D533	D533-K535 PolarHBondContact O-N 2.76Å
536	G	43	Very low	50.1	Low	75 Å²	75	145.2 Å²	145.2	77%	0.773	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-59.6	148.8	-167.4	0	0	0	0	0	115.2
537	Q	46.4	Very low	50	Low	196 Å²	196	142.4 Å²	142.4	92%	0.916	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-75.8	147.5	168	-66.2	-176.2	1.9	0	0	110.5
538	V	47.4	Very low	50.1	Low	143 Å²	143	142.3 Å²	142.3	87%	0.867	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-79.7	139.9	170.8	-176.5	0	0	0	0	108.4
539	G	47.6	Very low	50.1	Low	55 Å²	55	139.3 Å²	139.3	57%	0.567	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-67	160.8	-179.7	0	0	0	0	0	113.8
540	P	66.1	Low	49.9	Very low	134 Å²	134	141.7 Å²	141.7	87%	0.87	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-68	148.8	175.1	30.2	-35.1	0	0	0	111.8
541	E	46.5	Very low	49.9	Very low	190 Å²	190	146.1 Å²	146.1	89%	0.888	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-81.5	145.7	178	-59.9	-175.6	125.7	0	0	112.4
542	D	50.3	Low	49.1	Very low	150 Å²	150	145.7 Å²	145.7	80%	0.802	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-65.4	133.9	177.2	-82.1	-52.4	0	0	0	113.4	K544	D542-K544 PolarHBondContact O-N 3.07Å
543	P	64.3	Low	48.9	Very low	125 Å²	125	145.9 Å²	145.9	81%	0.812	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-74.3	118.5	173.4	30.2	-33.2	0	0	0	111.4
544	K	46.4	Very low	48.3	Very low	196 Å²	196	143.6 Å²	143.6	85%	0.852	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-85.2	143	178.8	-75.5	172.8	178.9	161.9	0	113.5	D542	D542-K544 PolarHBondContact O-N 3.07Å
545	S	43	Very low	47.1	Very low	106 Å²	106	146.9 Å²	146.9	74%	0.741	83%	0.827	S	S	*	*			trans	67.8	105.7	157.1	-60.7	0	0	0	0	119.3
546	Q	46.6	Very low	46.9	Very low	201 Å²	201	143.1 Å²	143.1	94%	0.939	82%	0.821	S	S	*	*			trans	-118.7	159.1	130.6	-69.7	-166.4	0.4	0	0	109.1
547	V	43.3	Very low	46.7	Very low	138 Å²	138	148.3 Å²	148.3	84%	0.836	83%	0.825	S	S	*	*			trans	-144.4	131.7	-167.6	176.7	0	0	0	0	111.8
548	G	42.3	Very low	47	Very low	69 Å²	69	145 Å²	145	71%	0.711	82%	0.82	S	S	*	*			trans	83.6	167.5	166.4	0	0	0	0	0	116
549	P	47	Very low	46.8	Very low	138 Å²	138	147.6 Å²	147.6	90%	0.896	82%	0.823	S	S	*	*			cis	-104.9	-176.3	6.9	40.1	-33.5	0	0	0	114.8
550	E	44	Very low	46.4	Very low	197 Å²	197	151.1 Å²	151.1	92%	0.921	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-99.1	171.5	-172	-59.1	178.6	129.9	0	0	115.1
551	D	43.5	Very low	45.6	Very low	150 Å²	150	150.5 Å²	150.5	80%	0.802	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-63.4	153	-174	-72.3	-48	0	0	0	118
552	P	49.8	Very low	45.2	Very low	126 Å²	126	150.2 Å²	150.2	82%	0.818	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-97.3	131.9	142.6	34.8	-25.9	0	0	0	112
553	K	41.2	Very low	44.5	Very low	200 Å²	200	147.9 Å²	147.9	87%	0.87	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-86.8	157.6	-172.1	-64	174.8	179.3	174.3	0	115.1
554	S	39.8	Very low	43.1	Very low	104 Å²	104	151 Å²	151	73%	0.727	82%	0.82	S	S	*	*			trans	78.3	109.1	141.2	176.9	0	0	0	0	120.6
555	Q	40.5	Very low	42.9	Very low	185 Å²	185	147.6 Å²	147.6	86%	0.864	82%	0.816	S	S	*	*				-155.1	110.5	126.7	-106.7	164.6	7.8	0	0	108.5
556	V	45.6	Very low	42.6	Very low	127 Å²	127	151.2 Å²	151.2	77%	0.77	82%	0.821	S	S	*	*				84.2	115.7	91.1	167.8	0	0	0	0	113
557	E	39.4	Very low	42.5	Very low	185 Å²	185	147.7 Å²	147.7	86%	0.864	82%	0.815	S	S	*	*			trans	-78.6	154.4	175.7	-58.6	166.2	127.1	0	0	112.4
558	P	53.4	Low	42.1	Very low	125 Å²	125	150.1 Å²	150.1	81%	0.812	82%	0.818	S	S	*	*			trans	-110.1	156.3	147.5	35.8	-28	0	0	0	112.1
559	E	42.6	Very low	41.8	Very low	198 Å²	198	152.3 Å²	152.3	93%	0.925	81%	0.813	S	S	*	*			trans	-83.3	163.7	-164.8	-60.5	179.9	124.4	0	0	116.3
560	D	38.8	Very low	41.7	Very low	130 Å²	130	151.6 Å²	151.6	70%	0.695	81%	0.808	S	S	*	*			trans	-74.3	120.8	-175	171.3	43.3	0	0	0	115.1	K562	D560-K562 PolarHBondContact O-N 3.3Å
561	P	49.8	Very low	41.3	Very low	121 Å²	121	150.2 Å²	150.2	79%	0.786	80%	0.799	S	S	*	*			trans	-89.4	97.5	173.5	34.6	-31	0	0	0	112.3
562	K	36.6	Very low	40.8	Very low	183 Å²	183	148.5 Å²	148.5	80%	0.796	80%	0.799	S	S	*	*			trans	-58.4	148.9	179.6	-66	171.4	-179.6	167	0	115.2	D560	D560-K562 PolarHBondContact O-N 3.3Å
563	S	35.6	Very low	40	Very low	102 Å²	102	151.4 Å²	151.4	71%	0.713	80%	0.801	S	S	*	*			trans	77.9	93.1	143.7	-177.5	0	0	0	0	119.7
564	Q	35.9	Very low	39.9	Very low	190 Å²	190	147.7 Å²	147.7	89%	0.888	80%	0.796	S	S	*	*			trans	-150.1	99.8	136.7	-104.3	161.5	14.3	0	0	107.1
565	V	42.2	Very low	39.6	Very low	125 Å²	125	151.5 Å²	151.5	76%	0.758	80%	0.802	S	S	*	*				68.2	99.3	90.4	176	0	0	0	0	111.6
566	E	35.6	Very low	39.8	Very low	182 Å²	182	148.7 Å²	148.7	85%	0.85	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-71.1	135.7	168.8	-61.9	171.9	123.9	0	0	110.1
567	P	45.9	Very low	39.4	Very low	126 Å²	126	151.6 Å²	151.6	82%	0.818	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-81.8	136.1	163.9	32.1	-30.6	0	0	0	110.6
568	E	35.3	Very low	39.1	Very low	190 Å²	190	149.2 Å²	149.2	89%	0.888	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-77	155.7	-173.9	-63.5	-176.2	123.6	0	0	114.5
569	D	35.5	Very low	38.7	Very low	114 Å²	114	148.9 Å²	148.9	61%	0.61	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-68.7	116.1	179.2	174.1	37	0	0	0	112.8	K571	D569-K571 PolarHBondContact O-N 2.71Å; D569-K571 IonicContact OD2-NZ 3.33Å; D569-K571 PolarHBondContact OD2-NZ 3Å
570	P	45.2	Very low	38.4	Very low	123 Å²	123	147.9 Å²	147.9	80%	0.799	79%	0.788	S	S	*	*			trans	-79.3	86.9	-171	32.1	-35.8	0	0	0	113.1
571	K	34.7	Very low	38.1	Very low	169 Å²	169	147.5 Å²	147.5	74%	0.735	80%	0.796	S	S	*	*			trans	-79.3	120.9	178.6	-82.3	-179.4	173.6	92.3	0	114.8	D569	D569-K571 PolarHBondContact O-N 2.71Å; D569-K571 IonicContact OD2-NZ 3.33Å; D569-K571 PolarHBondContact OD2-NZ 3Å
572	S	33.3	Very low	37.5	Very low	113 Å²	113	150.9 Å²	150.9	79%	0.79	80%	0.801	S	S	*	*			trans	66.9	83.8	139.1	-175.5	0	0	0	0	119.5
573	Q	33.6	Very low	37.5	Very low	187 Å²	187	149 Å²	149	87%	0.874	81%	0.805	S	S	*	*			trans	-144.7	146.8	148.8	-68.4	-167.4	-1.6	0	0	108.7
574	V	38.9	Very low	37.6	Very low	123 Å²	123	147.1 Å²	147.1	75%	0.745	80%	0.801	S	S	*	*			cis	-153	150.7	-11.5	128.9	0	0	0	0	106.6
575	E	32.9	Very low	38	Very low	183 Å²	183	144.5 Å²	144.5	86%	0.855	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-68.3	131.2	174	-67.2	-179	125	0	0	111.7
576	P	45.3	Very low	37.6	Very low	126 Å²	126	147.6 Å²	147.6	82%	0.818	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-79.2	129.9	165.9	31.3	-31.4	0	0	0	110.7
577	E	36	Very low	37.9	Very low	189 Å²	189	145.4 Å²	145.4	88%	0.883	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-69.7	149.9	-178.3	-65.3	-169.4	127.2	0	0	114	P579	E577-P579 WeakPolarHBondContact O-CD 3.48Å
578	D	34	Very low	38	Very low	134 Å²	134	145 Å²	145	72%	0.717	80%	0.799	S	S	*	*			trans	-68.8	113.1	-177.8	179.7	25.9	0	0	0	113.8	K580	D578-K580 PolarHBondContact O-N 3.45Å
579	P	44.7	Very low	38	Very low	118 Å²	118	144.1 Å²	144.1	77%	0.766	79%	0.794	S	S	*	*			trans	-79.4	92.8	-179.8	32.5	-32.8	0	0	0	111.3	E577	E577-P579 WeakPolarHBondContact O-CD 3.48Å
580	K	36.4	Very low	37.9	Very low	178 Å²	178	144.1 Å²	144.1	77%	0.774	80%	0.803	S	S	*	*			trans	-42.2	145.6	179.9	-63.4	175.6	-179.4	67.5	0	114.8	D578	D578-K580 PolarHBondContact O-N 3.45Å
581	S	33.2	Very low	37.7	Very low	121 Å²	121	147.3 Å²	147.3	85%	0.846	81%	0.807	S	S	*	*			trans	-34.8	130.8	177.5	-47.9	0	0	0	0	115.7
582	Q	35.8	Very low	37.9	Very low	192 Å²	192	145.9 Å²	145.9	90%	0.897	81%	0.813	S	S	*	*			trans	-114.8	141.7	152.6	-71.5	-159.8	0.1	0	0	111.1
583	V	37.7	Very low	38.1	Very low	145 Å²	145	144.2 Å²	144.2	88%	0.879	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-74.7	134.8	-177.4	-179.4	0	0	0	0	109.3
584	G	38.4	Very low	38.6	Very low	61 Å²	61	141.2 Å²	141.2	63%	0.629	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-79.3	159.7	177.2	0	0	0	0	0	113.7
585	P	43.6	Very low	38.4	Very low	135 Å²	135	143 Å²	143	88%	0.877	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-86.7	165	167.6	36	-33.2	0	0	0	112.4
586	E	34.5	Very low	38.6	Very low	190 Å²	190	141.9 Å²	141.9	89%	0.888	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-93.2	166.3	-168.4	-62.9	165.7	119.2	0	0	114.4
587	D	40.4	Very low	38.2	Very low	136 Å²	136	140.6 Å²	140.6	73%	0.727	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-72.2	120.4	176.2	174.9	33.3	0	0	0	112.5	Q589	D587-Q589 PolarHBondContact O-N 2.95Å
588	P	48.5	Very low	38.4	Very low	119 Å²	119	135.6 Å²	135.6	77%	0.773	80%	0.796	S	S	*	*			trans	-84.1	91.9	177.7	33.3	-32.4	0	0	0	111.7
589	Q	36.3	Very low	38.9	Very low	170 Å²	170	133.7 Å²	133.7	79%	0.794	79%	0.793	S	S	*	*			trans	-55.7	146.1	176	-60.5	-173.7	-89.8	0	0	114	D587	D587-Q589 PolarHBondContact O-N 2.95Å
590	S	33.1	Very low	38.9	Very low	114 Å²	114	137.1 Å²	137.1	80%	0.797	80%	0.796	S	S	*	*			trans	-34.3	130.7	169.8	-177.4	0	0	0	0	116
591	Q	40.6	Very low	39.2	Very low	190 Å²	190	133 Å²	133	89%	0.888	79%	0.79	S	S	*	*			trans	-139.1	163.5	160.9	-70.2	-159	14	0	0	111.8
592	V	38.2	Very low	39.6	Very low	140 Å²	140	134.5 Å²	134.5	85%	0.848	79%	0.787	S	S	*	*			trans	-135.9	131.5	-162	-92.1	0	0	0	0	113.3
593	G	38.1	Very low	40.1	Very low	78 Å²	78	128.6 Å²	128.6	80%	0.804	78%	0.778	S	S	*	*			trans	73.8	-179	169.8	0	0	0	0	0	116.2
594	P	43	Very low	40.7	Very low	123 Å²	123	129.1 Å²	129.1	80%	0.799	77%	0.771	S	S	*	*			cis	-128.5	150.5	1.5	40.4	-25.6	0	0	0	116.6
595	E	35.1	Very low	41	Very low	160 Å²	160	133.8 Å²	133.8	75%	0.748	78%	0.782	S	S	*	*				40.6	129.8	127.1	-156.5	167.7	-174.3	0	0	124.7
596	Q	36.9	Very low	41.7	Very low	161 Å²	161	132.3 Å²	132.3	75%	0.752	77%	0.772	S	S	*	*			trans	51.1	125.7	152.3	-72.3	-173.2	71.4	0	0	123
597	A	38.2	Very low	42.4	Very low	98 Å²	98	130.4 Å²	130.4	81%	0.81	77%	0.768	S	S	*	*				158.5	158.3	106.8	0	0	0	0	0	112.1
598	A	39.9	Very low	42.8	Very low	85 Å²	85	129 Å²	129	70%	0.702	77%	0.769	S	S	*	*			cis	179.2	138.6	-32	0	0	0	0	0	108
599	S	44.3	Very low	42.8	Very low	94 Å²	94	130.1 Å²	130.1	66%	0.657	77%	0.768	S	S	*	*			trans	-173.9	114.4	153.8	-91.2	0	0	0	0	116.1
600	K	43.7	Very low	43.3	Very low	189 Å²	189	126.9 Å²	126.9	82%	0.822	76%	0.76	S	S	*	*				71.1	141.8	125.7	-64.9	165.3	-171.4	164.7	0	119.9
601	S	42.9	Very low	43.9	Very low	92 Å²	92	128 Å²	128	64%	0.643	76%	0.763	S	S	*	*			cis	-176.7	147.6	-6.3	49.1	0	0	0	0	113.8
602	L	43.3	Very low	44	Very low	152 Å²	152	122.4 Å²	122.4	80%	0.796	76%	0.756	S	S	*	*			trans	62.8	142.5	169.1	-75.2	70.2	0	0	0	115.7	E604	L602-E604 WeakPolarHBondContact CD2-OE2 3.35Å; L602-E604 VanDerWaalsContact CG-OE2 3.25Å; L602-E604 WeakPolarHBondContact CG-OE2 3.36Å
603	G	45	Very low	44.2	Very low	69 Å²	69	122.3 Å²	122.3	71%	0.711	76%	0.756	S	S	*	*			cis	171.4	-179.6	1.3	0	0	0	0	0	111
604	E	50.1	Low	44.4	Very low	155 Å²	155	123.4 Å²	123.4	72%	0.724	75%	0.751	S	S	*	*			cis	-169.1	105.6	-10.3	-105.6	151.4	119.7	0	0	111.1	L602	L602-E604 WeakPolarHBondContact CD2-OE2 3.35Å; L602-E604 VanDerWaalsContact CG-OE2 3.25Å; L602-E604 WeakPolarHBondContact CG-OE2 3.36Å
605	D	45.4	Very low	44.5	Very low	159 Å²	159	125.6 Å²	125.6	85%	0.85	75%	0.753	S	S	*	*			trans	71.4	167.6	147.6	-95.4	-30.7	0	0	0	123.2
606	P	59.2	Low	45.1	Very low	105 Å²	105	122.3 Å²	122.3	68%	0.682	75%	0.747	S	S	*	*				-136	-168.2	-127.5	46.7	-29.1	0	0	0	116.9
607	D	49.2	Very low	45.3	Very low	149 Å²	149	122.7 Å²	122.7	80%	0.797	75%	0.749	S	S	*	*			trans	-175.7	134.7	142.4	-112.1	-25.7	0	0	0	117.1
608	S	48.8	Very low	45.5	Very low	106 Å²	106	122.5 Å²	122.5	74%	0.741	74%	0.742	S	S	*	*			trans	63.2	152.4	149.3	80.6	0	0	0	0	120.9
609	D	48	Very low	45.6	Very low	144 Å²	144	127.3 Å²	127.3	77%	0.77	75%	0.75	S	S	*	*			cis	-161.7	166.3	-5.3	-144	-44.5	0	0	0	113.7
610	T	45.7	Very low	45.4	Very low	102 Å²	102	130.5 Å²	130.5	63%	0.626	75%	0.754	S	S	*	*			trans	80.9	92.1	143.2	-63.3	0	0	0	0	123.1
611	T	45.4	Very low	45.3	Very low	138 Å²	138	128.7 Å²	128.7	85%	0.847	75%	0.753	S	S	*	*			trans	54.8	142.4	135	68.6	0	0	0	0	124.3
612	G	44.1	Very low	45.1	Very low	72 Å²	72	129 Å²	129	74%	0.742	76%	0.761	S	S	*	*			trans	-149.8	-54	178.9	0	0	0	0	0	120.1
613	T	42.2	Very low	45.1	Very low	138 Å²	138	133.3 Å²	133.3	85%	0.847	77%	0.767	S	S	*	*			trans	82.3	145.8	173.8	-49.2	0	0	0	0	120
614	S	43	Very low	45.1	Very low	101 Å²	101	137.3 Å²	137.3	71%	0.706	77%	0.77	S	S	*	*			trans	69.7	120.8	174.5	52.6	0	0	0	0	117.6
615	M	44.7	Very low	44.7	Very low	169 Å²	169	138.7 Å²	138.7	83%	0.833	78%	0.776	S	S	*	*			cis	77.8	130.5	38.1	-57.3	-72.9	-73.7	0	0	113.5
616	S	46.5	Very low	44.7	Very low	91 Å²	91	136.1 Å²	136.1	64%	0.636	78%	0.778	S	S	*	*			cis	-163	167.6	-3.9	51.2	0	0	0	0	113.5
617	E	41.3	Very low	44	Very low	169 Å²	169	136.6 Å²	136.6	79%	0.79	78%	0.783	S	S	*	*			trans	-32.3	172.2	152.4	-64.4	152.8	125.5	0	0	116.6
618	S	43.6	Very low	44.2	Very low	94 Å²	94	136 Å²	136	66%	0.657	79%	0.785	S	S	*	*			cis	178.9	157.3	-23.7	-83.6	0	0	0	0	108.1
619	E	40.4	Very low	44.3	Very low	185 Å²	185	139.5 Å²	139.5	86%	0.864	79%	0.789	S	S	*	*			trans	66.2	164.9	148.4	-76	-175.9	125.9	0	0	124.3
620	E	40.5	Very low	45	Very low	161 Å²	161	137.7 Å²	137.7	75%	0.752	79%	0.785	S	S	*	*			trans	83.3	107.5	159.1	-66.7	-126	99.8	0	0	123.4
621	L	42.5	Very low	45.7	Very low	151 Å²	151	138.6 Å²	138.6	79%	0.791	79%	0.793	S	S	*	*			trans	69.8	105.9	135.1	-58.7	-179.7	0	0	0	121.5
622	A	38.6	Very low	45.8	Very low	99 Å²	99	141.4 Å²	141.4	82%	0.818	79%	0.794	S	S	*	*			trans	-98.5	135.9	157.4	0	0	0	0	0	112
623	R	43.8	Very low	46.9	Very low	243 Å²	243	147.4 Å²	147.4	92%	0.917	82%	0.819	S	S	*	*			trans	-164.6	163.9	162.1	-115.6	178.1	-168.2	-144.7	2	112.1
624	I	44.9	Very low	47.1	Very low	153 Å²	153	147.9 Å²	147.9	79%	0.785	82%	0.818	S	S	*	*			trans	82.1	87.2	175	-50.1	173.2	0	0	0	116
625	E	41.9	Very low	47.3	Very low	183 Å²	183	150.3 Å²	150.3	86%	0.855	82%	0.824	S	S	*	*				14	129	129.7	-54	173.4	127.1	0	0	120.5
626	A	44.1	Very low	47.5	Very low	106 Å²	106	149.3 Å²	149.3	88%	0.876	82%	0.823	S	S	*	*			trans	-157.9	128.4	134	0	0	0	0	0	112.5
627	S	45.7	Very low	47.5	Very low	114 Å²	114	152.7 Å²	152.7	80%	0.797	83%	0.834	S	S	*	*			trans	-69	143.8	178.9	172.3	0	0	0	0	115
628	V	51.6	Low	47.9	Very low	136 Å²	136	151.7 Å²	151.7	82%	0.824	84%	0.837	S	S	*	*			trans	-155.8	130.8	137.1	168.2	0	0	0	0	110.2
629	E	51.3	Low	48.2	Very low	180 Å²	180	155.5 Å²	155.5	84%	0.841	85%	0.849	S	S	*	*			trans	-134.1	136.6	164	-174.6	-164.3	-133.2	0	0	109.8
630	P	64	Low	48.7	Very low	106 Å²	106	153.4 Å²	153.4	69%	0.688	85%	0.848	S	S	*	*			trans	-135.7	166.8	161.7	42.8	-28.3	0	0	0	112.4
631	P	59	Low	49.4	Very low	122 Å²	122	152.8 Å²	152.8	79%	0.792	86%	0.855	S	S	*	*				-125	174.9	-99.4	28.1	-6.5	0	0	0	114.9
632	K	48.4	Very low	50	Low	197 Å²	197	153 Å²	153	86%	0.857	86%	0.861	S	S	*	*			trans	-79.6	153.8	173.1	-72.2	179.1	179.6	171.4	0	113.4
633	P	66.1	Low	51	Low	197 Å²	197	157.9 Å²	157.9	100%	1.279	87%	0.865	S	S	*	*			trans	-77.4	0	157.8	36.7	-35.6	0	0	0	112.8

Retrieved 633 of 633 residues in 450.6 ms (Link to these results)

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