Q3HL76_SCHMA Loading...

Transporter

AlphaFold DB , UniProt , Accession Q3HL76, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene Slc6a4, Length 735 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	23.3	Very low	24.1	Very low	247 Å²	247	136.8 Å²	136.8	100%	1.217	78%	0.779	S	S	*	*				0	124.7	0	-77	175.6	174.5	0	0	107.2
2	N	23.6	Very low	24	Very low	139 Å²	139	140.2 Å²	140.2	74%	0.743	79%	0.792	S	S	*	*			trans	-67	171.1	-154.6	-74	-21.4	0	0	0	117
3	H	23.3	Very low	24.1	Very low	157 Å²	157	139.8 Å²	139.8	73%	0.727	78%	0.784	S	S	*	*			trans	95.6	103	154	-56	-63.3	0	0	0	113.9
4	N	21.8	Very low	24.1	Very low	155 Å²	155	139.4 Å²	139.4	83%	0.829	78%	0.78	S	S	*	*			cis	29.9	90.2	48.6	-80	4.2	0	0	0	112.8
5	T	25.5	Very low	24.1	Very low	110 Å²	110	141.3 Å²	141.3	68%	0.675	78%	0.78	S	S	*	*				-167	154.3	124.2	17.1	0	0	0	0	111.6
6	P	31.6	Very low	24.2	Very low	101 Å²	101	140 Å²	140	66%	0.656	76%	0.764	S	S	*	*			trans	-104.3	162	-165.8	40.1	-31.9	0	0	0	112.7
7	T	21.7	Very low	24.2	Very low	126 Å²	126	140.1 Å²	140.1	77%	0.773	76%	0.758	S	S	*	*			trans	162.5	140.8	153.4	25	0	0	0	0	108.1
8	T	23.3	Very low	24.3	Very low	119 Å²	119	139.7 Å²	139.7	73%	0.73	75%	0.75	S	S	*	*			cis	-164.1	139.8	-3.4	-1.3	0	0	0	0	104.8	S10	T8-S10 VanDerWaalsContact C-N 3.31Å; T8-S10 PolarHBondContact O-N 3.09Å
9	C	22.8	Very low	24.6	Very low	142 Å²	142	135.9 Å²	135.9	96%	0.959	73%	0.728	S	S	*	*			trans	-59	97.5	158.4	-81.1	0	0	0	0	107.9
10	S	23.6	Very low	24.7	Very low	89 Å²	89	134.8 Å²	134.8	62%	0.622	72%	0.72	S	S	*	*			trans	-97.2	115.5	167.5	-177.1	0	0	0	0	108.4	T8	T8-S10 VanDerWaalsContact C-N 3.31Å; T8-S10 PolarHBondContact O-N 3.09Å
11	N	25.1	Very low	24.8	Very low	120 Å²	120	132 Å²	132	64%	0.642	70%	0.7	S	S	*	*			trans	74.5	88.3	161.1	-54.9	-19.3	0	0	0	115	I13	N11-I13 HydrophobicContact CB-CG1 3.72Å; N11-I13 PolarHBondContact O-N 2.81Å
12	L	23	Very low	25.1	Very low	177 Å²	177	124.5 Å²	124.5	93%	0.927	67%	0.672	S	S	*	*				-30.5	72.8	115.5	-76.9	144.3	0	0	0	110.5	N14	L12-N14 PolarHBondContact O-N 3.23Å; L12-N14 VanDerWaalsContact O-N 3.14Å
13	I	25	Very low	25.6	Very low	135 Å²	135	120.5 Å²	120.5	69%	0.692	65%	0.65	S	S	*	*			trans	-71.5	108.5	163.4	-65.3	178.6	0	0	0	103.2	N11 Q15	N11-I13 HydrophobicContact CB-CG1 3.72Å; N11-I13 PolarHBondContact O-N 2.81Å; I13-Q15 VanDerWaalsContact C-N 3.32Å; I13-Q15 PolarHBondContact O-N 3.16Å
14	N	23.7	Very low	26	Very low	135 Å²	135	119.7 Å²	119.7	72%	0.722	65%	0.652	S	S	*	*			trans	-26.1	94.6	164.8	-67.4	-32.4	0	0	0	110.2	L12 F16	L12-N14 PolarHBondContact O-N 3.23Å; L12-N14 VanDerWaalsContact O-N 3.14Å; N14-F16 HydrophobicContact CB-CD2 4.24Å; N14-F16 PolarHBondContact O-N 2.78Å
15	Q	24.4	Very low	26.5	Very low	168 Å²	168	116 Å²	116	79%	0.785	63%	0.631	S	S	*	*			trans	-75.5	76.9	166	-80.2	-175.8	-44.8	0	0	105.6	I13 E17	I13-Q15 VanDerWaalsContact C-N 3.32Å; I13-Q15 PolarHBondContact O-N 3.16Å; Q15-E17 HydrophobicContact CB-CG 4.48Å; Q15-E17 PolarHBondContact O-N 3.04Å
16	F	25.2	Very low	26.7	Very low	120 Å²	120	120.4 Å²	120.4	53%	0.526	64%	0.644	S	S	.	*			trans	-67.8	88.1	147	-81.3	-73.1	0	0	0	105.2	N14 Q18 E39	N14-F16 HydrophobicContact CB-CD2 4.24Å; N14-F16 PolarHBondContact O-N 2.78Å; F16-Q18 PolarHBondContact O-N 2.76Å; F16-E39 WeakPolarHBondContact CB-OE2 3.37Å; F16-E39 VanDerWaalsContact CD1-CD 3.43Å; F16-E39 WeakPolarHBondContact CD1-OE1 3.29Å; F16-E39 WeakPolarHBondContact CD1-OE2 3.27Å; F16-E39 WeakPolarHBondContact CG-OE2 3.27Å
17	E	25.1	Very low	26.7	Very low	141 Å²	141	125.5 Å²	125.5	66%	0.659	65%	0.651	S	S	*	*			trans	-59	105.4	169.3	-76.1	-172.5	151	0	0	107.6	Q15 Q19	Q15-E17 HydrophobicContact CB-CG 4.48Å; Q15-E17 PolarHBondContact O-N 3.04Å; E17-Q19 PolarHBondContact O-N 3.34Å
18	Q	25.2	Very low	27.2	Very low	133 Å²	133	121.8 Å²	121.8	62%	0.621	63%	0.626	S	S	*	*			trans	-57.2	109.2	171	-71.4	176.8	-7.7	0	0	109	F16	F16-Q18 PolarHBondContact O-N 2.76Å
19	Q	30.5	Very low	27.6	Very low	68 Å²	68	123.1 Å²	123.1	32%	0.318	62%	0.621	S	S	.	*			trans	-84.2	125.7	178.4	-69.9	-174.4	-7.3	0	0	111	E17	E17-Q19 PolarHBondContact O-N 3.34Å
20	I	27	Very low	28	Very low	114 Å²	114	122.4 Å²	122.4	59%	0.585	62%	0.615	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.2	115.4	175.6	-62.5	171.3	0	0	0	108.4	I43	I20-I43 HydrophobicContact CD1-CD1 4.17Å; I20-I43 HydrophobicContact CG1-CD1 4.4Å; I20-I43 HydrophobicContact CG2-CD1 3.61Å; I20-I43 HydrophobicContact CG2-CG1 4.16Å
21	Y	27.3	Very low	28.3	Very low	75 Å²	75	124.9 Å²	124.9	29%	0.294	62%	0.617	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.1	122.7	170.3	-89.4	-101.5	0	0	0	110.3	L36 T40 L107	Y21-L36 HydrophobicContact CD1-CD2 4.28Å; Y21-L36 HydrophobicContact CE1-CD2 4.2Å; Y21-L36 HydrophobicContact CG-CD2 4.5Å; Y21-T40 HydrophobicContact CD2-CG2 3.5Å; Y21-T40 HydrophobicContact CE2-CG2 4.31Å; Y21-T40 HydrophobicContact CG-CG2 4.11Å; Y21-L107 WeakPolarHBondContact OH-CD2 3.24Å
22	S	28.6	Very low	29	Very low	91 Å²	91	120.5 Å²	120.5	64%	0.636	60%	0.595	S	S	*	*			trans	-96.7	111.6	167	73.8	0	0	0	0	110.1	N24	S22-N24 PolarHBondContact O-N 2.91Å; S22-N24 VanDerWaalsContact O-N 3.17Å
23	I	34	Very low	29.8	Very low	54 Å²	54	118.2 Å²	118.2	28%	0.277	58%	0.579	S	S	.	*			trans	-84.2	88.1	174.4	-58.8	175.8	0	0	0	108.3	I28	I23-I28 HydrophobicContact CG2-CD1 3.44Å; I23-I28 VanDerWaalsContact CG2-CD1 3.44Å
24	N	31.6	Very low	30.5	Very low	141 Å²	141	116 Å²	116	75%	0.754	56%	0.563	S	S	*	*			trans	-111.4	67.5	172.6	-85.3	-14.2	0	0	0	109.9	S22	S22-N24 PolarHBondContact O-N 2.91Å; S22-N24 VanDerWaalsContact O-N 3.17Å
25	D	31.8	Very low	31.3	Very low	76 Å²	76	113.1 Å²	113.1	41%	0.406	55%	0.553	S	S	.	*			trans	-130.8	119.5	166.6	-153.5	-21.7	0	0	0	111	R27 I28	D25-R27 PolarHBondContact O-N 3.03Å; D25-R27 VanDerWaalsContact O-N 3.11Å; D25-R27 WeakPolarHBondContact OD1-CB 3.5Å; D25-R27 PolarHBondContact OD1-N 3.18Å; D25-R27 VanDerWaalsContact OD1-N 3.15Å; D25-R27 IonicContact OD1-NE 3.74Å; D25-R27 PolarHBondContact OD1-NE 3.25Å; D25-R27 IonicContact OD2-NE 3.49Å; D25-R27 IonicContact OD2-NH2 3.66Å; D25-I28 VanDerWaalsContact O-CD1 3.29Å; D25-I28 WeakPolarHBondContact O-CD1 3.24Å; D25-I28 VanDerWaalsContact O-CG1 3.29Å; D25-I28 WeakPolarHBondContact O-CG1 3.31Å
26	Q	30.5	Very low	32.1	Very low	203 Å²	203	106.3 Å²	106.3	95%	0.949	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-0.4	174.4	-68.6	-172.4	-16.7	0	0	112.5
27	R	31.8	Very low	32.8	Very low	208 Å²	208	102.6 Å²	102.6	79%	0.785	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	11.8	176.4	-70.6	-174.9	-79.2	-163.5	-4.7	115.3	D25 K29	D25-R27 PolarHBondContact O-N 3.03Å; D25-R27 VanDerWaalsContact O-N 3.11Å; D25-R27 WeakPolarHBondContact OD1-CB 3.5Å; D25-R27 PolarHBondContact OD1-N 3.18Å; D25-R27 VanDerWaalsContact OD1-N 3.15Å; D25-R27 IonicContact OD1-NE 3.74Å; D25-R27 PolarHBondContact OD1-NE 3.25Å; D25-R27 IonicContact OD2-NE 3.49Å; D25-R27 IonicContact OD2-NH2 3.66Å; R27-K29 PolarHBondContact O-N 2.76Å; R27-K29 VanDerWaalsContact O-N 3.09Å
28	I	32.1	Very low	33.3	Very low	48 Å²	48	98 Å²	98	25%	0.246	49%	0.492	C	S	.	.			trans	-67.7	108.1	174.7	-62.4	161.2	0	0	0	109.3	I23 D25 P32 I127	I23-I28 HydrophobicContact CG2-CD1 3.44Å; I23-I28 VanDerWaalsContact CG2-CD1 3.44Å; D25-I28 VanDerWaalsContact O-CD1 3.29Å; D25-I28 WeakPolarHBondContact O-CD1 3.24Å; D25-I28 VanDerWaalsContact O-CG1 3.29Å; D25-I28 WeakPolarHBondContact O-CG1 3.31Å; I28-P32 HydrophobicContact CG2-CG 3.95Å; I28-I127 HydrophobicContact CD1-CD1 3.82Å
29	K	31.9	Very low	33.9	Very low	147 Å²	147	95.7 Å²	95.7	64%	0.639	48%	0.482	S	S	*	.			trans	-67.6	148.7	168.9	-72.1	179	-178.9	171.1	0	109.2	R27 Q31 P32	R27-K29 PolarHBondContact O-N 2.76Å; R27-K29 VanDerWaalsContact O-N 3.09Å; K29-Q31 PolarHBondContact O-N 2.92Å; K29-Q31 VanDerWaalsContact O-N 3.1Å; K29-P32 WeakPolarHBondContact O-CD 3.19Å; K29-P32 WeakPolarHBondContact O-CG 3.4Å
30	P	31.6	Very low	34.2	Very low	128 Å²	128	93.7 Å²	93.7	83%	0.831	47%	0.474	S	S	*	.	S	Bend	trans	-64	116.6	176.6	25.2	-30.5	0	0	0	109.2
31	Q	30.3	Very low	34.3	Very low	140 Å²	140	96.5 Å²	96.5	65%	0.654	48%	0.477	S	S	*	.			trans	81.4	67.9	-179.5	-51.2	-163.7	-18.3	0	0	118.9	K29	K29-Q31 PolarHBondContact O-N 2.92Å; K29-Q31 VanDerWaalsContact O-N 3.1Å
32	P	39.4	Very low	34.7	Very low	28 Å²	28	95.5 Å²	95.5	18%	0.182	48%	0.477	C	S	.	.			trans	-102.7	124.4	159.2	15.7	7.3	0	0	0	109.7	I28 K29 Y34	I28-P32 HydrophobicContact CG2-CG 3.95Å; K29-P32 WeakPolarHBondContact O-CD 3.19Å; K29-P32 WeakPolarHBondContact O-CG 3.4Å; P32-Y34 HydrophobicContact CB-CD2 4.33Å; P32-Y34 HydrophobicContact CB-CE1 4.23Å; P32-Y34 HydrophobicContact CB-CE2 3.61Å; P32-Y34 HydrophobicContact CG-CE2 3.61Å; P32-Y34 VanDerWaalsContact CG-OH 3.31Å; P32-Y34 WeakPolarHBondContact CG-OH 3.29Å; P32-Y34 WeakPolarHBondContact O-CD2 3.27Å
33	E	38.5	Very low	34.8	Very low	129 Å²	129	96 Å²	96	60%	0.603	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	127	165.4	-69.8	175	177.8	0	0	108.5	I117	E33-I117 HydrophobicContact CB-CG2 3.91Å; E33-I117 HydrophobicContact CG-CG2 4.28Å
34	Y	40.4	Very low	34.6	Very low	90 Å²	90	96.3 Å²	96.3	35%	0.353	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.4	178.9	-62.7	-81.7	0	0	0	110.9	P32 I117 V118	P32-Y34 HydrophobicContact CB-CD2 4.33Å; P32-Y34 HydrophobicContact CB-CE1 4.23Å; P32-Y34 HydrophobicContact CB-CE2 3.61Å; P32-Y34 HydrophobicContact CG-CE2 3.61Å; P32-Y34 VanDerWaalsContact CG-OH 3.31Å; P32-Y34 WeakPolarHBondContact CG-OH 3.29Å; P32-Y34 WeakPolarHBondContact O-CD2 3.27Å; Y34-I117 CarbonylContact O-C 3.57Å; Y34-I117 VanDerWaalsContact O-CA 3.3Å; Y34-I117 WeakPolarHBondContact O-CA 3.49Å; Y34-V118 PolarHBondContact N-O 3.38Å; Y34-V118 PolarHBondContact O-N 2.98Å
35	C	40.3	Very low	34.3	Very low	74 Å²	74	94 Å²	94	50%	0.5	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	104.3	172.7	170	0	0	0	0	108.2	C115	C35-C115 HydrophobicContact CB-CB 4.19Å; C35-C115 WeakPolarHBondContact CB-SG 3.45Å; C35-C115 WeakPolarHBondContact SG-CB 3.3Å; C35-C115 CovalentContact SG-SG 2.04Å; C35-C115 PolarHBondContact SG-SG 3.09Å
36	L	40.9	Very low	34.2	Very low	25 Å²	25	96.3 Å²	96.3	13%	0.131	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	154.6	176.8	-70.7	173.3	0	0	0	110.7	Y21 T40 C115 T116 V118	Y21-L36 HydrophobicContact CD1-CD2 4.28Å; Y21-L36 HydrophobicContact CE1-CD2 4.2Å; Y21-L36 HydrophobicContact CG-CD2 4.5Å; L36-T40 HydrophobicContact CD1-CG2 4.21Å; L36-C115 CarbonylContact O-C 3.58Å; L36-C115 WeakPolarHBondContact O-CA 3.19Å; L36-C115 VanDerWaalsContact O-CB 3.28Å; L36-C115 WeakPolarHBondContact O-CB 3.41Å; L36-T116 PolarHBondContact N-O 3.17Å; L36-T116 PolarHBondContact O-N 2.88Å; L36-V118 HydrophobicContact CD1-CB 4.45Å; L36-V118 HydrophobicContact CD1-CG2 4.09Å
37	P	40.9	Very low	34	Very low	41 Å²	41	91 Å²	91	27%	0.266	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	144.2	171.2	-21.7	32.5	0	0	0	111.5	E39 T40	P37-E39 PolarHBondContact O-N 3.43Å; P37-T40 PolarHBondContact O-N 3.1Å; P37-T40 PolarHBondContact O-OG1 3.15Å
38	S	35.9	Very low	33.7	Very low	44 Å²	44	88.6 Å²	88.6	31%	0.308	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-32.3	-176	43	0	0	0	0	114.6	T40	S38-T40 PolarHBondContact O-N 3.21Å
39	E	36.8	Very low	33.3	Very low	85 Å²	85	93.7 Å²	93.7	40%	0.397	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	20.1	-175.2	-60.7	-165.8	151.4	0	0	115.8	F16 P37 R41	F16-E39 WeakPolarHBondContact CB-OE2 3.37Å; F16-E39 VanDerWaalsContact CD1-CD 3.43Å; F16-E39 WeakPolarHBondContact CD1-OE1 3.29Å; F16-E39 WeakPolarHBondContact CD1-OE2 3.27Å; F16-E39 WeakPolarHBondContact CG-OE2 3.27Å; P37-E39 PolarHBondContact O-N 3.43Å; E39-R41 PolarHBondContact O-N 3.11Å
40	T	37.6	Very low	32.9	Very low	27 Å²	27	94.6 Å²	94.6	17%	0.166	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-81.7	117.6	-178.1	-44.8	0	0	0	0	112.2	Y21 L36 P37 S38	Y21-T40 HydrophobicContact CD2-CG2 3.5Å; Y21-T40 HydrophobicContact CE2-CG2 4.31Å; Y21-T40 HydrophobicContact CG-CG2 4.11Å; L36-T40 HydrophobicContact CD1-CG2 4.21Å; P37-T40 PolarHBondContact O-N 3.1Å; P37-T40 PolarHBondContact O-OG1 3.15Å; S38-T40 PolarHBondContact O-N 3.21Å
41	R	29.1	Very low	32.5	Very low	172 Å²	172	97 Å²	97	65%	0.649	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	127	162.6	-88.3	-170.9	-175.3	-178	3.1	110.1	E39	E39-R41 PolarHBondContact O-N 3.11Å
42	I	34	Very low	32.2	Very low	54 Å²	54	93.9 Å²	93.9	28%	0.277	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	118.9	178.9	-54.3	167.5	0	0	0	108.4	T44 V118 C129	I42-T44 HydrophobicContact CG2-CG2 3.69Å; I42-V118 HydrophobicContact CD1-CB 4.42Å; I42-V118 HydrophobicContact CD1-CG1 3.61Å; I42-V118 HydrophobicContact CD1-CG2 3.88Å; I42-C129 HydrophobicContact CD1-CB 3.84Å; I42-C129 HydrophobicContact CG2-CB 3.79Å
43	I	30.5	Very low	31.6	Very low	101 Å²	101	97.4 Å²	97.4	52%	0.518	52%	0.517	S	S	.	.			trans	-98	112.5	171.3	-57.6	-179.4	0	0	0	108.4	I20	I20-I43 HydrophobicContact CD1-CD1 4.17Å; I20-I43 HydrophobicContact CG1-CD1 4.4Å; I20-I43 HydrophobicContact CG2-CD1 3.61Å; I20-I43 HydrophobicContact CG2-CG1 4.16Å
44	T	30.2	Very low	30.8	Very low	62 Å²	62	99.5 Å²	99.5	38%	0.38	53%	0.526	S	S	.	.			trans	-111	51	178.9	46.8	0	0	0	0	111.5	I42 I127	I42-T44 HydrophobicContact CG2-CG2 3.69Å; T44-I127 VanDerWaalsContact CB-O 3.24Å; T44-I127 WeakPolarHBondContact CB-O 3.17Å; T44-I127 WeakPolarHBondContact CG2-O 3.33Å
45	D	26	Very low	30	Very low	92 Å²	92	101.6 Å²	101.6	49%	0.492	54%	0.543	S	S	.	.			trans	-152.2	100.7	166	-95.1	-33.8	0	0	0	110	K126	D45-K126 WeakPolarHBondContact OD1-CE 3.39Å; D45-K126 IonicContact OD1-NZ 3.69Å; D45-K126 PolarHBondContact OD1-NZ 3.09Å; D45-K126 IonicContact OD2-NZ 3.84Å
46	V	29.7	Very low	29.1	Very low	124 Å²	124	103.5 Å²	103.5	75%	0.752	56%	0.557	S	S	*	*			trans	-118.6	71	152.2	-169.2	0	0	0	0	106.2	N48	V46-N48 PolarHBondContact O-N 3.49Å; V46-N48 VanDerWaalsContact O-N 3.16Å
47	T	25.8	Very low	28.3	Very low	91 Å²	91	106.4 Å²	106.4	56%	0.558	58%	0.58	S	S	*	*			trans	-58.4	118.8	161.7	34.8	0	0	0	0	107.7	H49	T47-H49 VanDerWaalsContact C-N 3.32Å; T47-H49 PolarHBondContact O-N 3.23Å
48	N	25	Very low	27.3	Very low	158 Å²	158	111.5 Å²	111.5	85%	0.845	60%	0.604	S	S	*	*			trans	-41.8	94	165.6	-81.8	-27.5	0	0	0	110.6	V46	V46-N48 PolarHBondContact O-N 3.49Å; V46-N48 VanDerWaalsContact O-N 3.16Å
49	H	24.3	Very low	26.6	Very low	155 Å²	155	117.1 Å²	117.1	72%	0.718	63%	0.625	S	S	*	*			trans	-136.8	105.9	157.8	-91.6	-71.4	0	0	0	106.9	T47 L51	T47-H49 VanDerWaalsContact C-N 3.32Å; T47-H49 PolarHBondContact O-N 3.23Å; H49-L51 PolarHBondContact O-N 2.83Å; H49-L51 VanDerWaalsContact O-N 3.09Å
50	H	24	Very low	25.8	Very low	166 Å²	166	119.7 Å²	119.7	77%	0.769	65%	0.646	S	S	*	*			trans	11.9	91.8	150.2	-77.2	-80.5	0	0	0	114	S52	H50-S52 PolarHBondContact O-N 3.47Å
51	L	23.9	Very low	25	Very low	178 Å²	178	125.8 Å²	125.8	93%	0.932	67%	0.673	S	S	*	*			trans	-70.5	64.1	160.4	-121.2	99	0	0	0	108.4	H49	H49-L51 PolarHBondContact O-N 2.83Å; H49-L51 VanDerWaalsContact O-N 3.09Å
52	S	23.1	Very low	24.6	Very low	75 Å²	75	126.2 Å²	126.2	52%	0.524	68%	0.682	S	S	.	*	S	Bend	trans	-131.2	112	166.6	58.6	0	0	0	0	106.8	H50	H50-S52 PolarHBondContact O-N 3.47Å
53	S	26.3	Very low	23.9	Very low	102 Å²	102	128.9 Å²	128.9	71%	0.713	71%	0.706	S	S	*	*	S	Bend	trans	54.9	77.6	168	63.9	0	0	0	0	116.7
54	H	22.4	Very low	23.4	Very low	173 Å²	173	130.8 Å²	130.8	80%	0.801	72%	0.716	S	S	*	*			trans	-176.1	68.4	137.4	-90.1	-52	0	0	0	110.1
55	L	22.8	Very low	23	Very low	134 Å²	134	136 Å²	136	70%	0.702	74%	0.736	S	S	*	*			trans	-138.4	25	163.6	-106.9	155.4	0	0	0	111.2	S57 L58	L55-S57 VanDerWaalsContact C-N 3.28Å; L55-L58 HydrophobicContact CD2-CD1 4.02Å
56	S	22.9	Very low	22.8	Very low	114 Å²	114	140.8 Å²	140.8	80%	0.797	76%	0.756	S	S	*	*	S	Bend	trans	-89.6	22.7	170.1	55.6	0	0	0	0	113.1
57	S	22.3	Very low	22.3	Very low	87 Å²	87	142.8 Å²	142.8	61%	0.608	76%	0.762	S	S	*	*			trans	-149	60.6	177.3	63	0	0	0	0	111.6	L55	L55-S57 VanDerWaalsContact C-N 3.28Å
58	L	20.4	Very low	22.1	Very low	147 Å²	147	143.2 Å²	143.2	77%	0.77	77%	0.769	S	S	*	*			trans	-115.3	68	148	-80.3	164	0	0	0	106.5	L55 V60	L55-L58 HydrophobicContact CD2-CD1 4.02Å; L58-V60 PolarHBondContact O-N 2.92Å
59	Q	20.8	Very low	21.9	Very low	162 Å²	162	143.5 Å²	143.5	76%	0.757	77%	0.771	S	S	*	*			trans	-60.2	112.6	149.7	-81.3	176.7	-43.4	0	0	105.5	Q61	Q59-Q61 PolarHBondContact O-N 3.44Å
60	V	21	Very low	21.7	Very low	140 Å²	140	143.6 Å²	143.6	85%	0.848	78%	0.776	S	S	*	*			trans	-61.5	88.7	158.2	175	0	0	0	0	105.1	L58 E62	L58-V60 PolarHBondContact O-N 2.92Å; V60-E62 PolarHBondContact O-N 2.87Å
61	Q	20.3	Very low	21.5	Very low	155 Å²	155	145.9 Å²	145.9	72%	0.724	78%	0.779	S	S	*	*			trans	-83.8	110.3	172	-158.3	156.9	-12.9	0	0	105.2	Q59 S63	Q59-Q61 PolarHBondContact O-N 3.44Å; Q61-S63 VanDerWaalsContact C-N 3.3Å; Q61-S63 PolarHBondContact O-N 2.88Å
62	E	21.2	Very low	21.2	Very low	180 Å²	180	143.5 Å²	143.5	84%	0.841	78%	0.776	S	S	*	*			trans	-50.4	96.9	162.9	-71.4	170.6	140.4	0	0	108.4	V60	V60-E62 PolarHBondContact O-N 2.87Å
63	S	20.2	Very low	21.1	Very low	111 Å²	111	144.8 Å²	144.8	78%	0.776	79%	0.785	S	S	*	*			trans	-99	84.7	158.8	57.9	0	0	0	0	107.1	Q61	Q61-S63 VanDerWaalsContact C-N 3.3Å; Q61-S63 PolarHBondContact O-N 2.88Å
64	L	20.1	Very low	20.8	Very low	141 Å²	141	148.3 Å²	148.3	74%	0.738	79%	0.79	S	S	*	*			trans	-46.7	143.5	145.2	-82.4	155.9	0	0	0	109.5
65	E	21.2	Very low	20.8	Very low	171 Å²	171	147.5 Å²	147.5	80%	0.799	79%	0.791	S	S	*	*			trans	68.7	112.4	154.5	-64.7	171.5	179.4	0	0	118.1
66	Q	21.3	Very low	20.7	Very low	193 Å²	193	147.7 Å²	147.7	90%	0.902	79%	0.793	S	S	*	*				173.2	76.7	123.1	-91.7	172.7	9.5	0	0	111.6
67	N	19.6	Very low	20.7	Very low	165 Å²	165	149.2 Å²	149.2	88%	0.882	79%	0.792	S	S	*	*			trans	-148.3	106.2	142.4	-95.4	-20.9	0	0	0	101.1
68	S	21.8	Very low	20.7	Very low	101 Å²	101	150 Å²	150	71%	0.706	80%	0.798	S	S	*	*				-175	142.5	69	42.7	0	0	0	0	108.9	L70	S68-L70 PolarHBondContact O-N 3.48Å
69	N	20.3	Very low	20.7	Very low	164 Å²	164	152 Å²	152	88%	0.877	81%	0.805	S	S	*	*			trans	-50.2	107.9	156.2	-69.5	-40.2	0	0	0	109.3
70	L	20.9	Very low	20.7	Very low	157 Å²	157	149.1 Å²	149.1	82%	0.822	80%	0.804	S	S	*	*			trans	-142.3	106.1	156	-139.6	83.7	0	0	0	108.1	S68	S68-L70 PolarHBondContact O-N 3.48Å
71	Y	18.8	Very low	20.7	Very low	213 Å²	213	149.2 Å²	149.2	84%	0.835	80%	0.804	S	S	*	*			trans	-45.3	134	161.4	-87.3	-105.8	0	0	0	110.3
72	C	18.3	Very low	20.7	Very low	129 Å²	129	146.9 Å²	146.9	87%	0.872	81%	0.805	S	S	*	*				-170.2	136.6	113.1	-99.3	0	0	0	0	110.5
73	S	20	Very low	20.6	Very low	102 Å²	102	142.1 Å²	142.1	71%	0.713	79%	0.791	S	S	*	*			trans	-58.7	155.5	-176	-48.5	0	0	0	0	113.6
74	H	20.3	Very low	20.7	Very low	175 Å²	175	144 Å²	144	81%	0.81	79%	0.788	S	S	*	*			trans	4.3	119.5	145.1	-73.1	-76.7	0	0	0	115.8
75	D	22.7	Very low	20.7	Very low	157 Å²	157	145.6 Å²	145.6	84%	0.84	79%	0.789	S	S	*	*				-166.9	157.4	114.9	-94.6	-29.6	0	0	0	112.5
76	N	21	Very low	20.7	Very low	137 Å²	137	143.6 Å²	143.6	73%	0.733	78%	0.783	S	S	*	*			trans	-60.2	167.7	-171.2	-68.8	-48.4	0	0	0	115.3
77	D	22.4	Very low	20.7	Very low	147 Å²	147	143.2 Å²	143.2	79%	0.786	78%	0.781	S	S	*	*			trans	95.9	122.2	147.2	-64.2	-33.2	0	0	0	119.9
78	S	22.1	Very low	20.8	Very low	104 Å²	104	143.9 Å²	143.9	73%	0.727	78%	0.776	S	S	*	*			trans	86.1	116.6	142.8	71.9	0	0	0	0	119.7
79	M	20.3	Very low	21	Very low	187 Å²	187	143.7 Å²	143.7	92%	0.921	77%	0.772	S	S	*	*			trans	57.8	133.9	137.9	-68.5	178.8	159.5	0	0	117.8
80	S	21	Very low	21	Very low	103 Å²	103	144.3 Å²	144.3	72%	0.72	77%	0.774	S	S	*	*			cis	-178.2	117.7	15.3	41.8	0	0	0	0	104
81	V	20.5	Very low	20.9	Very low	141 Å²	141	145.4 Å²	145.4	86%	0.855	77%	0.772	S	S	*	*				41.3	108.7	84.7	-170.7	0	0	0	0	116.2
82	S	20.6	Very low	21	Very low	106 Å²	106	139.8 Å²	139.8	74%	0.741	76%	0.764	S	S	*	*			trans	-178.1	102.4	132	29.5	0	0	0	0	108.9
83	S	20.4	Very low	21.2	Very low	80 Å²	80	142.3 Å²	142.3	56%	0.559	76%	0.762	S	S	*	*				84.5	101.3	82.5	63.9	0	0	0	0	112.4
84	Q	20.8	Very low	21.3	Very low	151 Å²	151	145.6 Å²	145.6	71%	0.706	77%	0.77	S	S	*	*				76.6	136.8	80.2	-84.6	-166.9	4.5	0	0	116
85	K	21	Very low	21.4	Very low	174 Å²	174	142.2 Å²	142.2	76%	0.757	77%	0.766	S	S	*	*			trans	79.3	141.9	152	-74.1	165.6	-176	170.7	0	115.9
86	L	19.9	Very low	21.3	Very low	129 Å²	129	145 Å²	145	68%	0.675	77%	0.771	S	S	*	*			cis	174.5	142.7	4.8	179.5	93.6	0	0	0	105.3
87	H	22.3	Very low	21.3	Very low	185 Å²	185	142 Å²	142	86%	0.856	77%	0.771	S	S	*	*			trans	-172.7	122.4	134.1	-101.5	-59.3	0	0	0	114.3
88	K	21.3	Very low	21.2	Very low	179 Å²	179	145 Å²	145	78%	0.778	78%	0.777	S	S	*	*			trans	-76.3	-171.9	162	-75.7	178.5	173.5	176.9	0	110.3
89	P	26.3	Very low	21.2	Very low	98 Å²	98	148 Å²	148	64%	0.636	79%	0.785	S	S	*	*			cis	-136	167.8	-46.9	34.7	-18.8	0	0	0	112.2
90	I	20.1	Very low	21.1	Very low	177 Å²	177	147.4 Å²	147.4	91%	0.908	78%	0.779	S	S	*	*			trans	-134.8	125.3	140.6	-63.9	-174.5	0	0	0	109
91	K	20	Very low	21.1	Very low	180 Å²	180	148.2 Å²	148.2	78%	0.783	78%	0.782	S	S	*	*			trans	-75.1	136.9	-172.1	-78.7	174.8	173	178	0	112.2
92	S	20	Very low	21.1	Very low	94 Å²	94	148.5 Å²	148.5	66%	0.657	78%	0.779	S	S	*	*			trans	1.2	121.6	137.4	60.2	0	0	0	0	117.4
93	H	21.3	Very low	21.2	Very low	182 Å²	182	150 Å²	150	84%	0.843	78%	0.778	S	S	*	*				-157.6	121.1	129.9	-92.6	-70.6	0	0	0	107.1
94	I	22.8	Very low	21.2	Very low	172 Å²	172	151.2 Å²	151.2	88%	0.882	79%	0.787	S	S	*	*				174.9	134.7	129.3	-83.8	152.5	0	0	0	108.9
95	S	22.1	Very low	21.4	Very low	103 Å²	103	149.3 Å²	149.3	72%	0.72	78%	0.781	S	S	*	*			trans	-77.6	146.4	-163.3	52.6	0	0	0	0	114.9	G97	S95-G97 PolarHBondContact O-N 3.11Å
96	K	20.5	Very low	21.4	Very low	217 Å²	217	148 Å²	148	94%	0.943	78%	0.783	S	S	*	*			trans	-7.2	102.1	146.8	-65.2	176.2	178	179	0	115
97	G	21.5	Very low	21.6	Very low	72 Å²	72	145.1 Å²	145.1	74%	0.742	77%	0.767	S	S	*	*			trans	-149.9	131.6	166.4	0	0	0	0	0	108.9	S95	S95-G97 PolarHBondContact O-N 3.11Å
98	K	20.8	Very low	21.6	Very low	210 Å²	210	143.7 Å²	143.7	91%	0.913	76%	0.764	S	S	*	*			trans	-57.2	142	-167.1	-73.1	170.5	171.7	175.7	0	114.2
99	L	20.8	Very low	21.9	Very low	168 Å²	168	140.2 Å²	140.2	88%	0.88	75%	0.747	S	S	*	*			trans	-10.8	116.3	157.2	-101.5	78	0	0	0	116
100	Q	18.5	Very low	22	Very low	174 Å²	174	138.9 Å²	138.9	81%	0.813	74%	0.735	S	S	*	*			trans	-144.1	117.6	136	-100.7	179.1	-17.3	0	0	106.8	N102	Q100-N102 PolarHBondContact O-N 3.02Å
101	P	22.6	Very low	22.6	Very low	120 Å²	120	136 Å²	136	78%	0.779	72%	0.721	S	S	*	*			trans	-80.3	77	-178.1	33.2	-31.5	0	0	0	109.1	L103	P101-L103 PolarHBondContact O-N 2.75Å; P101-L103 VanDerWaalsContact O-N 3.11Å
102	N	20	Very low	23.2	Very low	148 Å²	148	134.7 Å²	134.7	79%	0.791	72%	0.718	S	S	*	*			trans	-79.8	73	154.1	-81.7	-8.9	0	0	0	106.8	Q100 S104	Q100-N102 PolarHBondContact O-N 3.02Å; N102-S104 PolarHBondContact O-N 3.15Å
103	L	22	Very low	24.1	Very low	138 Å²	138	134.9 Å²	134.9	72%	0.723	71%	0.712	S	S	*	*			trans	-77.1	85.9	167.5	-154.9	77.7	0	0	0	106.4	P101 N105	P101-L103 PolarHBondContact O-N 2.75Å; P101-L103 VanDerWaalsContact O-N 3.11Å; L103-N105 WeakPolarHBondContact CD2-OD1 3.01Å; L103-N105 WeakPolarHBondContact CG-OD1 3.46Å; L103-N105 PolarHBondContact O-N 2.96Å
104	S	21.1	Very low	24.8	Very low	105 Å²	105	128.7 Å²	128.7	73%	0.734	69%	0.692	S	S	*	*			trans	-61.7	88.4	164.3	41.7	0	0	0	0	108	N102 D106	N102-S104 PolarHBondContact O-N 3.15Å; S104-D106 PolarHBondContact O-N 2.96Å; S104-D106 VanDerWaalsContact O-N 3.09Å
105	N	24.1	Very low	25.7	Very low	110 Å²	110	121.8 Å²	121.8	59%	0.588	66%	0.659	S	S	*	*			trans	-74.1	92.3	173.8	-75.7	-11.6	0	0	0	108.8	L103 L107	L103-N105 WeakPolarHBondContact CD2-OD1 3.01Å; L103-N105 WeakPolarHBondContact CG-OD1 3.46Å; L103-N105 PolarHBondContact O-N 2.96Å; N105-L107 PolarHBondContact O-N 3.39Å; N105-L107 VanDerWaalsContact O-N 3.07Å
106	D	21.4	Very low	26.6	Very low	148 Å²	148	118.5 Å²	118.5	79%	0.791	63%	0.634	S	S	*	*			trans	-66.8	97.7	161	-77.6	-33.7	0	0	0	108.1	S104 I108	S104-D106 PolarHBondContact O-N 2.96Å; S104-D106 VanDerWaalsContact O-N 3.09Å; D106-I108 PolarHBondContact O-N 3.32Å
107	L	25.1	Very low	27.6	Very low	67 Å²	67	109 Å²	109	35%	0.351	59%	0.594	S	S	.	*			trans	-75.1	113.7	179.2	-74.8	158.1	0	0	0	110.3	Y21 N105	Y21-L107 WeakPolarHBondContact OH-CD2 3.24Å; N105-L107 PolarHBondContact O-N 3.39Å; N105-L107 VanDerWaalsContact O-N 3.07Å
108	I	21.7	Very low	28.7	Very low	155 Å²	155	105.8 Å²	105.8	80%	0.795	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-86	121.6	171	-59.7	174.2	0	0	0	107.9	D106	D106-I108 PolarHBondContact O-N 3.32Å
109	Y	27.9	Very low	30	Very low	106 Å²	106	98.8 Å²	98.8	42%	0.416	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-90.7	140	-179.5	-76.8	-86.8	0	0	0	111.9	T717	Y109-T717 HydrophobicContact CD1-CG2 4.32Å; Y109-T717 HydrophobicContact CE1-CG2 3.75Å; Y109-T717 HydrophobicContact CE2-CG2 4.29Å; Y109-T717 WeakPolarHBondContact OH-CB 3.33Å
110	D	27	Very low	31.2	Very low	70 Å²	70	91 Å²	91	37%	0.374	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-75.2	146.7	171.2	-154.4	-3.6	0	0	0	111.9	E112	D110-E112 VanDerWaalsContact C-N 3.35Å; D110-E112 PolarHBondContact O-N 3.46Å
111	N	32.9	Very low	32.7	Very low	116 Å²	116	85.5 Å²	85.5	62%	0.62	46%	0.464	S	S	*	.	S	Bend	trans	-78.8	-15.5	-168.2	-88	-33.3	0	0	0	113.9
112	E	32.9	Very low	33.7	Very low	153 Å²	153	87.2 Å²	87.2	72%	0.715	46%	0.46	S	S	*	.	S	Bend	trans	-99	133.6	178.4	-61.5	-170.5	168.5	0	0	108.7	D110 A114	D110-E112 VanDerWaalsContact C-N 3.35Å; D110-E112 PolarHBondContact O-N 3.46Å; E112-A114 PolarHBondContact O-N 3.07Å
113	N	39.6	Very low	35.1	Very low	99 Å²	99	85 Å²	85	53%	0.529	45%	0.447	S	S	.	.			trans	-66.2	32.2	-174.4	-82.9	-20.6	0	0	0	114.9	C115 G712 K727	N113-C115 PolarHBondContact O-N 2.91Å; N113-G712 PolarHBondContact ND2-O 3.21Å; N113-K727 PolarHBondContact OD1-NZ 3.5Å
114	A	36.3	Very low	37	Very low	52 Å²	52	81.3 Å²	81.3	43%	0.43	44%	0.442	S	S	.	.			trans	-84	103	171.1	0	0	0	0	0	109.4	E112	E112-A114 PolarHBondContact O-N 3.07Å
115	C	41.9	Very low	38.4	Very low	27 Å²	27	84.3 Å²	84.3	18%	0.182	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	134.1	158.7	79.4	0	0	0	0	108.8	C35 L36 N113 I117 S134	C35-C115 HydrophobicContact CB-CB 4.19Å; C35-C115 WeakPolarHBondContact CB-SG 3.45Å; C35-C115 WeakPolarHBondContact SG-CB 3.3Å; C35-C115 CovalentContact SG-SG 2.04Å; C35-C115 PolarHBondContact SG-SG 3.09Å; L36-C115 CarbonylContact O-C 3.58Å; L36-C115 WeakPolarHBondContact O-CA 3.19Å; L36-C115 VanDerWaalsContact O-CB 3.28Å; L36-C115 WeakPolarHBondContact O-CB 3.41Å; N113-C115 PolarHBondContact O-N 2.91Å; C115-I117 PolarHBondContact O-N 3.15Å; C115-S134 WeakPolarHBondContact O-CB 3.31Å; C115-S134 PolarHBondContact O-OG 2.9Å
116	T	39.5	Very low	39	Very low	33 Å²	33	83.9 Å²	83.9	20%	0.202	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	115.9	175.8	-50.4	0	0	0	0	108.3	L36 V118 S131 S134	L36-T116 PolarHBondContact N-O 3.17Å; L36-T116 PolarHBondContact O-N 2.88Å; T116-V118 HydrophobicContact CG2-CG2 4.05Å; T116-V118 PolarHBondContact O-N 3.35Å; T116-S131 VanDerWaalsContact CG2-CB 3.46Å; T116-S134 VanDerWaalsContact CA-OG 3.31Å; T116-S134 WeakPolarHBondContact CA-OG 3.35Å
117	I	42.5	Very low	40.4	Very low	19 Å²	19	79.2 Å²	79.2	10%	0.097	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	121.7	172.2	-61.7	176.4	0	0	0	107.2	E33 Y34 C115 I132 I137	E33-I117 HydrophobicContact CB-CG2 3.91Å; E33-I117 HydrophobicContact CG-CG2 4.28Å; Y34-I117 CarbonylContact O-C 3.57Å; Y34-I117 VanDerWaalsContact O-CA 3.3Å; Y34-I117 WeakPolarHBondContact O-CA 3.49Å; C115-I117 PolarHBondContact O-N 3.15Å; I117-I132 HydrophobicContact CB-CB 4.45Å; I117-I132 HydrophobicContact CG2-CD1 4Å; I117-I132 PolarHBondContact O-N 2.89Å; I117-I137 HydrophobicContact CD1-CB 3.89Å; I117-I137 HydrophobicContact CD1-CD1 3.96Å; I117-I137 HydrophobicContact CD1-CG2 3.59Å; I117-I137 HydrophobicContact CG2-CD1 4.42Å
118	V	45.2	Very low	41.3	Very low	3 Å²	3	80.6 Å²	80.6	2%	0.018	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.8	-177.7	177.6	0	0	0	0	108.9	Y34 L36 I42 T116 C129 Q130	Y34-V118 PolarHBondContact N-O 3.38Å; Y34-V118 PolarHBondContact O-N 2.98Å; L36-V118 HydrophobicContact CD1-CB 4.45Å; L36-V118 HydrophobicContact CD1-CG2 4.09Å; I42-V118 HydrophobicContact CD1-CB 4.42Å; I42-V118 HydrophobicContact CD1-CG1 3.61Å; I42-V118 HydrophobicContact CD1-CG2 3.88Å; T116-V118 HydrophobicContact CG2-CG2 4.05Å; T116-V118 PolarHBondContact O-N 3.35Å; V118-C129 HydrophobicContact CG1-CB 3.48Å; V118-C129 VanDerWaalsContact CG1-CB 3.48Å; V118-Q130 CarbonylContact C-O 3.58Å; V118-Q130 VanDerWaalsContact CA-O 3.29Å; V118-Q130 WeakPolarHBondContact CA-O 3.34Å
119	K	46.8	Very low	42.5	Very low	63 Å²	63	74.3 Å²	74.3	27%	0.274	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	119.8	170.1	-174.1	178.9	179.8	-174.4	0	108.6	D121 C129 Q130 I132	K119-D121 IonicContact NZ-OD2 2.76Å; K119-C129 CarbonylContact O-C 3.33Å; K119-C129 VanDerWaalsContact O-CA 3.3Å; K119-C129 WeakPolarHBondContact O-CA 3.29Å; K119-Q130 PolarHBondContact N-O 3.1Å; K119-Q130 PolarHBondContact O-N 2.87Å; K119-I132 HydrophobicContact CB-CD1 4.16Å; K119-I132 HydrophobicContact CB-CG1 4.45Å
120	C	47.4	Very low	43.4	Very low	4 Å²	4	75.4 Å²	75.4	3%	0.027	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	115	177.1	-64.1	0	0	0	0	110.3	I127 E128 C129	C120-I127 HydrophobicContact CB-CG2 3.94Å; C120-E128 CarbonylContact C-O 3.51Å; C120-E128 VanDerWaalsContact CA-O 3.29Å; C120-E128 WeakPolarHBondContact CA-O 3.45Å; C120-C129 HydrophobicContact CB-CB 4.2Å; C120-C129 WeakPolarHBondContact CB-SG 3.32Å; C120-C129 WeakPolarHBondContact SG-CB 3.29Å; C120-C129 CovalentContact SG-SG 2.05Å; C120-C129 PolarHBondContact SG-SG 2.82Å
121	D	48.3	Very low	44.3	Very low	59 Å²	59	76 Å²	76	32%	0.316	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	143	174	-73.3	-38.9	0	0	0	109.8	K119 E128	K119-D121 IonicContact NZ-OD2 2.76Å; D121-E128 PolarHBondContact N-O 2.99Å; D121-E128 PolarHBondContact O-N 3.12Å
122	K	44.7	Very low	44.8	Very low	156 Å²	156	73 Å²	73	68%	0.678	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	105.9	175.5	-168	175.7	-177.7	177.4	0	109.2	G124 K126	K122-G124 WeakPolarHBondContact CE-O 3.47Å; K122-K126 WeakPolarHBondContact CA-O 3.45Å
123	I	49.1	Very low	45.1	Very low	103 Å²	103	71.3 Å²	71.3	53%	0.528	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	99.4	174.5	-53.1	-179.9	0	0	0	107.6	N125 K126 E128	I123-N125 PolarHBondContact O-N 2.64Å; I123-K126 PolarHBondContact N-O 2.91Å; I123-K126 PolarHBondContact O-N 3.19Å; I123-K126 VanDerWaalsContact O-N 3.15Å; I123-E128 VanDerWaalsContact CD1-OE2 3.32Å; I123-E128 WeakPolarHBondContact CD1-OE2 3.32Å
124	G	61	Low	45.1	Very low	60 Å²	60	67.3 Å²	67.3	62%	0.619	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	-119.5	-174.4	0	0	0	0	0	112.4	K122	K122-G124 WeakPolarHBondContact CE-O 3.47Å
125	N	50.3	Low	45	Very low	167 Å²	167	70 Å²	70	89%	0.893	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-2.8	177.4	-76.5	-12.3	0	0	0	113.9	I123	I123-N125 PolarHBondContact O-N 2.64Å
126	K	37.7	Very low	44.6	Very low	102 Å²	102	74.5 Å²	74.5	44%	0.443	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	145.1	178.6	-65.9	-164.8	178.5	-150.3	0	111.1	D45 K122 I123	D45-K126 WeakPolarHBondContact OD1-CE 3.39Å; D45-K126 IonicContact OD1-NZ 3.69Å; D45-K126 PolarHBondContact OD1-NZ 3.09Å; D45-K126 IonicContact OD2-NZ 3.84Å; K122-K126 WeakPolarHBondContact CA-O 3.45Å; I123-K126 PolarHBondContact N-O 2.91Å; I123-K126 PolarHBondContact O-N 3.19Å; I123-K126 VanDerWaalsContact O-N 3.15Å
127	I	51.5	Low	44.4	Very low	49 Å²	49	74.9 Å²	74.9	25%	0.251	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	116.5	168.2	-60.8	172.2	0	0	0	105.7	I28 T44 C120	I28-I127 HydrophobicContact CD1-CD1 3.82Å; T44-I127 VanDerWaalsContact CB-O 3.24Å; T44-I127 WeakPolarHBondContact CB-O 3.17Å; T44-I127 WeakPolarHBondContact CG2-O 3.33Å; C120-I127 HydrophobicContact CB-CG2 3.94Å
128	E	43.6	Very low	44.3	Very low	96 Å²	96	76.4 Å²	76.4	45%	0.449	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.1	170	-81.2	-173.8	179.7	0	0	108.8	C120 D121 I123	C120-E128 CarbonylContact C-O 3.51Å; C120-E128 VanDerWaalsContact CA-O 3.29Å; C120-E128 WeakPolarHBondContact CA-O 3.45Å; D121-E128 PolarHBondContact N-O 2.99Å; D121-E128 PolarHBondContact O-N 3.12Å; I123-E128 VanDerWaalsContact CD1-OE2 3.32Å; I123-E128 WeakPolarHBondContact CD1-OE2 3.32Å
129	C	47.5	Very low	43.6	Very low	23 Å²	23	83.1 Å²	83.1	16%	0.155	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	118.9	-179.4	-67.5	0	0	0	0	109.5	I42 V118 K119 C120	I42-C129 HydrophobicContact CD1-CB 3.84Å; I42-C129 HydrophobicContact CG2-CB 3.79Å; V118-C129 HydrophobicContact CG1-CB 3.48Å; V118-C129 VanDerWaalsContact CG1-CB 3.48Å; K119-C129 CarbonylContact O-C 3.33Å; K119-C129 VanDerWaalsContact O-CA 3.3Å; K119-C129 WeakPolarHBondContact O-CA 3.29Å; C120-C129 HydrophobicContact CB-CB 4.2Å; C120-C129 WeakPolarHBondContact CB-SG 3.32Å; C120-C129 WeakPolarHBondContact SG-CB 3.29Å; C120-C129 CovalentContact SG-SG 2.05Å; C120-C129 PolarHBondContact SG-SG 2.82Å
130	Q	46.5	Very low	43.3	Very low	130 Å²	130	83 Å²	83	61%	0.607	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.7	177.2	-66.1	-178	-5.3	0	0	110.2	V118 K119 I132	V118-Q130 CarbonylContact C-O 3.58Å; V118-Q130 VanDerWaalsContact CA-O 3.29Å; V118-Q130 WeakPolarHBondContact CA-O 3.34Å; K119-Q130 PolarHBondContact N-O 3.1Å; K119-Q130 PolarHBondContact O-N 2.87Å; Q130-I132 PolarHBondContact O-N 2.05Å
131	S	44.5	Very low	43.5	Very low	82 Å²	82	88 Å²	88	57%	0.573	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	115.9	166.9	56.1	0	0	0	0	109.7	T116	T116-S131 VanDerWaalsContact CG2-CB 3.46Å
132	I	44.2	Very low	44.2	Very low	52 Å²	52	92 Å²	92	27%	0.267	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	130.1	167.4	-44.6	177.7	0	0	0	107.5	I117 K119 Q130 S134 I137	I117-I132 HydrophobicContact CB-CB 4.45Å; I117-I132 HydrophobicContact CG2-CD1 4Å; I117-I132 PolarHBondContact O-N 2.89Å; K119-I132 HydrophobicContact CB-CD1 4.16Å; K119-I132 HydrophobicContact CB-CG1 4.45Å; Q130-I132 PolarHBondContact O-N 2.05Å; I132-S134 PolarHBondContact O-N 3.2Å; I132-I137 HydrophobicContact CB-CD1 4.05Å; I132-I137 HydrophobicContact CD1-CD1 3.86Å; I132-I137 HydrophobicContact CG2-CD1 3.51Å; I132-I137 HydrophobicContact CG2-CG1 4.17Å
133	N	38.8	Very low	45.8	Very low	119 Å²	119	86 Å²	86	64%	0.636	47%	0.468	S	S	*	.			trans	-55.2	108.7	174.4	-106	-0.1	0	0	0	109.9	D135 N136	N133-D135 PolarHBondContact O-N 3.33Å; N133-N136 PolarHBondContact O-N 2.93Å; N133-N136 VanDerWaalsContact O-N 3.16Å
134	S	39.1	Very low	47.5	Very low	15 Å²	15	84.3 Å²	84.3	11%	0.105	46%	0.459	C	S	.	.	H	α-helix	trans	-60.3	-31	-174.5	-53	0	0	0	0	112.9	C115 T116 I132 N136 I137 I138	C115-S134 WeakPolarHBondContact O-CB 3.31Å; C115-S134 PolarHBondContact O-OG 2.9Å; T116-S134 VanDerWaalsContact CA-OG 3.31Å; T116-S134 WeakPolarHBondContact CA-OG 3.35Å; I132-S134 PolarHBondContact O-N 3.2Å; S134-N136 VanDerWaalsContact C-N 3.25Å; S134-N136 PolarHBondContact O-N 3.43Å; S134-I137 PolarHBondContact O-N 2.99Å; S134-I138 WeakPolarHBondContact O-CB 3.16Å; S134-I138 WeakPolarHBondContact O-CG1 3.12Å; S134-I138 PolarHBondContact O-N 2.93Å
135	D	35.1	Very low	48.9	Very low	109 Å²	109	84.2 Å²	84.2	58%	0.583	44%	0.443	S	S	*	.	H	α-helix	trans	-60	-36	179.2	-66.8	-29.3	0	0	0	112.1	N133 Q139	N133-D135 PolarHBondContact O-N 3.33Å; D135-Q139 WeakPolarHBondContact O-CB 3.3Å; D135-Q139 WeakPolarHBondContact O-CG 3.1Å; D135-Q139 PolarHBondContact O-N 2.98Å
136	N	32.8	Very low	51	Low	121 Å²	121	76.7 Å²	76.7	65%	0.647	40%	0.402	S	S	*	.	H	α-helix	trans	-77.1	-31.7	-178.9	-73.7	-16.6	0	0	0	113.2	N133 S134 G140	N133-N136 PolarHBondContact O-N 2.93Å; N133-N136 VanDerWaalsContact O-N 3.16Å; S134-N136 VanDerWaalsContact C-N 3.25Å; S134-N136 PolarHBondContact O-N 3.43Å; N136-G140 PolarHBondContact O-N 3.36Å
137	I	36.5	Very low	53.5	Low	41 Å²	41	76 Å²	76	21%	0.21	40%	0.404	C	S	.	.	H	α-helix	trans	-85	-40.3	176.7	-63.6	178.5	0	0	0	111.4	I117 I132 S134 Q139 G140 N141	I117-I137 HydrophobicContact CD1-CB 3.89Å; I117-I137 HydrophobicContact CD1-CD1 3.96Å; I117-I137 HydrophobicContact CD1-CG2 3.59Å; I117-I137 HydrophobicContact CG2-CD1 4.42Å; I132-I137 HydrophobicContact CB-CD1 4.05Å; I132-I137 HydrophobicContact CD1-CD1 3.86Å; I132-I137 HydrophobicContact CG2-CD1 3.51Å; I132-I137 HydrophobicContact CG2-CG1 4.17Å; S134-I137 PolarHBondContact O-N 2.99Å; I137-Q139 VanDerWaalsContact C-N 3.35Å; I137-G140 PolarHBondContact O-N 3.04Å; I137-G140 VanDerWaalsContact O-N 3.12Å; I137-N141 PolarHBondContact O-N 2.92Å
138	I	38.7	Very low	55.5	Low	51 Å²	51	75.7 Å²	75.7	26%	0.262	41%	0.406	S	S	.	.	H	α-helix	trans	-68.9	-34.7	179	-62.4	171.3	0	0	0	110.5	S134	S134-I138 WeakPolarHBondContact O-CB 3.16Å; S134-I138 WeakPolarHBondContact O-CG1 3.12Å; S134-I138 PolarHBondContact O-N 2.93Å
139	Q	32	Very low	57.9	Low	144 Å²	144	77.6 Å²	77.6	67%	0.673	41%	0.412	S	S	*	.	H	α-helix	trans	-71.7	-31.6	169	-70.9	-173.8	12.1	0	0	112.6	D135 I137	D135-Q139 WeakPolarHBondContact O-CB 3.3Å; D135-Q139 WeakPolarHBondContact O-CG 3.1Å; D135-Q139 PolarHBondContact O-N 2.98Å; I137-Q139 VanDerWaalsContact C-N 3.35Å
140	G	39.5	Very low	60.2	Low	60 Å²	60	80.8 Å²	80.8	62%	0.619	43%	0.427	S	S	*	.	H	α-helix	trans	-72.9	-23.9	179.8	0	0	0	0	0	115.7	N136 I137	N136-G140 PolarHBondContact O-N 3.36Å; I137-G140 PolarHBondContact O-N 3.04Å; I137-G140 VanDerWaalsContact O-N 3.12Å
141	N	51.4	Low	62.6	Low	110 Å²	110	74.8 Å²	74.8	59%	0.588	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	24.1	-172.7	-87	-22.2	0	0	0	115.1	I137 R143	I137-N141 PolarHBondContact O-N 2.92Å; N141-R143 PolarHBondContact O-N 3.34Å
142	K	63.7	Low	65.2	Low	142 Å²	142	71 Å²	71	62%	0.617	37%	0.372	S	S	*	.			trans	-77.2	92.6	172.7	-71.5	-173.2	-179.1	178.6	0	110.3	E144	K142-E144 PolarHBondContact O-N 3.29Å
143	R	77.7	Confident	67.7	Low	29 Å²	29	70 Å²	70	11%	0.109	37%	0.367	C	S	.	.			trans	-56.4	135.4	164.3	-176	-177.7	-172.9	103.9	15	108.6	N141 R208 S438 Y439 D540 Y711	N141-R143 PolarHBondContact O-N 3.34Å; R143-R208 VanDerWaalsContact NH1-C 3.34Å; R143-R208 PolarHBondContact NH1-O 3.1Å; R143-R208 PolarHBondContact O-NH2 3.02Å; R143-S438 VanDerWaalsContact CZ-OG 3.23Å; R143-S438 PolarHBondContact NE-O 3.5Å; R143-S438 PolarHBondContact NE-OG 2.89Å; R143-S438 PolarHBondContact NH2-OG 3.01Å; R143-Y439 HydrophobicContact CG-CD1 4.09Å; R143-Y439 HydrophobicContact CG-CE1 4.09Å; R143-Y439 VanDerWaalsContact NH2-CZ 3.31Å; R143-D540 IonicContact CZ-OD2 3.83Å; R143-D540 IonicContact NH1-OD1 2.73Å; R143-D540 PolarHBondContact NH1-OD1 3.01Å; R143-D540 VanDerWaalsContact NH1-OD1 3.14Å; R143-D540 IonicContact NH1-OD2 3Å; R143-D540 PolarHBondContact NH1-OD2 3.46Å; R143-D540 IonicContact NH2-OD2 2.98Å; R143-Y711 HydrophobicContact CB-CE1 4.48Å
144	E	85.5	Confident	70.6	Confident	69 Å²	69	65.6 Å²	65.6	32%	0.322	34%	0.344	S	S	.	.			trans	-53.8	156.9	175.2	-62.5	-176.1	160.2	0	0	111.6	K142 V363 Y439	K142-E144 PolarHBondContact O-N 3.29Å; E144-V363 HydrophobicContact CB-CG2 4.12Å; E144-Y439 HydrophobicContact CB-CD1 4.12Å; E144-Y439 HydrophobicContact CB-CE1 4.27Å; E144-Y439 WeakPolarHBondContact O-CD1 3.49Å
145	I	91.2	Very high	73.4	Confident	58 Å²	58	65.2 Å²	65.2	30%	0.297	34%	0.342	S	S	.	.			trans	-134.3	155.8	172.8	57.9	170.8	0	0	0	109.7	Y439 K441	I145-Y439 WeakPolarHBondContact CA-O 3.36Å; I145-Y439 WeakPolarHBondContact CB-O 3.18Å; I145-K441 HydrophobicContact CD1-CG 4.33Å
146	W	93.8	Very high	76.4	Confident	9 Å²	9	60 Å²	60	3%	0.034	31%	0.314	C	S	.	.			trans	-58.7	136.6	169.9	-61.6	100.8	0	0	0	111.2	S148 D151 F152 A155 V363 L436 Y439	W146-S148 VanDerWaalsContact C-N 3.26Å; W146-S148 PolarHBondContact O-N 2.88Å; W146-D151 HydrophobicContact CE3-CB 3.99Å; W146-F152 HydrophobicContact CB-CB 4.39Å; W146-F152 HydrophobicContact CD2-CB 3.95Å; W146-F152 AromaticContact CE2-CD2 3.87Å; W146-F152 HydrophobicContact CG-CB 3.79Å; W146-F152 HydrophobicContact CZ2-CD2 4.26Å; W146-F152 AromaticContact NE1-CD2 3.43Å; W146-A155 HydrophobicContact CH2-CB 3.68Å; W146-A155 HydrophobicContact CZ2-CB 4.31Å; W146-A155 HydrophobicContact CZ3-CB 4.16Å; W146-V363 HydrophobicContact CD2-CB 3.93Å; W146-V363 HydrophobicContact CD2-CG1 4.27Å; W146-V363 HydrophobicContact CE3-CB 3.76Å; W146-V363 HydrophobicContact CE3-CG1 4.39Å; W146-V363 HydrophobicContact CH2-CB 3.9Å; W146-V363 HydrophobicContact CH2-CG1 3.75Å; W146-V363 HydrophobicContact CZ2-CB 4.06Å; W146-V363 HydrophobicContact CZ2-CG1 3.6Å; W146-V363 HydrophobicContact CZ3-CB 3.74Å; W146-V363 HydrophobicContact CZ3-CG1 4.15Å; W146-V363 WeakPolarHBondContact CZ3-O 3.22Å; W146-L436 HydrophobicContact CH2-CD2 4.02Å; W146-L436 HydrophobicContact CZ2-CB 4.25Å; W146-L436 HydrophobicContact CZ2-CD2 3.78Å; W146-L436 PolarHBondContact NE1-O 2.98Å; W146-Y439 PolarHBondContact N-O 2.8Å
147	D	90.2	Very high	79.5	Confident	88 Å²	88	54.8 Å²	54.8	47%	0.471	29%	0.286	S	S	.	.	S	Bend	trans	-61.1	-39.5	176.4	-69.1	-22.8	0	0	0	111	K368	D147-K368 VanDerWaalsContact OD2-CE 3.32Å; D147-K368 WeakPolarHBondContact OD2-CE 3.47Å; D147-K368 IonicContact OD2-NZ 3.61Å; D147-K368 PolarHBondContact OD2-NZ 2.8Å
148	S	93.1	Very high	82.4	Confident	42 Å²	42	53 Å²	53	29%	0.294	28%	0.277	S	S	.	.	S	Bend	trans	-136.6	156.6	-178.4	99.5	0	0	0	0	111.6	W146 I150 D151	W146-S148 VanDerWaalsContact C-N 3.26Å; W146-S148 PolarHBondContact O-N 2.88Å; S148-I150 PolarHBondContact O-N 3.17Å; S148-I150 PolarHBondContact OG-N 2.99Å; S148-D151 PolarHBondContact O-N 2.96Å; S148-D151 PolarHBondContact OG-N 2.99Å; S148-D151 PolarHBondContact OG-OD1 3.36Å
149	K	94.2	Very high	85.2	Confident	135 Å²	135	51.2 Å²	51.2	59%	0.587	27%	0.267	S	S	*	.	H	α-helix	trans	-66.2	-28.7	173.3	-64.9	-175	178	-178	0	112.3	L153	K149-L153 WeakPolarHBondContact O-CB 3.3Å; K149-L153 PolarHBondContact O-N 2.8Å; K149-L153 VanDerWaalsContact O-N 3.09Å
150	I	96.2	Very high	88.3	Confident	91 Å²	91	44.4 Å²	44.4	47%	0.467	24%	0.235	S	C	.	.	H	α-helix	trans	-73.6	-35.7	179.7	-63.3	175.3	0	0	0	109.9	S148 F152 L153 L154 W371	S148-I150 PolarHBondContact O-N 3.17Å; S148-I150 PolarHBondContact OG-N 2.99Å; I150-F152 VanDerWaalsContact C-N 3.31Å; I150-F152 PolarHBondContact O-N 3.07Å; I150-L153 PolarHBondContact O-N 3.06Å; I150-L154 HydrophobicContact CG2-CD1 3.79Å; I150-L154 HydrophobicContact CG2-CG 3.93Å; I150-L154 WeakPolarHBondContact O-CB 3.28Å; I150-L154 WeakPolarHBondContact O-CG 3.49Å; I150-L154 PolarHBondContact O-N 3.27Å; I150-W371 HydrophobicContact CB-CZ2 4.39Å; I150-W371 HydrophobicContact CG2-CH2 3.93Å; I150-W371 HydrophobicContact CG2-CZ2 3.71Å
151	D	96.9	Very high	91.1	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-58.7	-45.7	176.7	-64.7	15	0	0	0	110	W146 S148 A155 K368 W371	W146-D151 HydrophobicContact CE3-CB 3.99Å; S148-D151 PolarHBondContact O-N 2.96Å; S148-D151 PolarHBondContact OG-N 2.99Å; S148-D151 PolarHBondContact OG-OD1 3.36Å; D151-A155 WeakPolarHBondContact O-CB 3.27Å; D151-A155 PolarHBondContact O-N 3.46Å; D151-K368 IonicContact OD2-NZ 2.84Å; D151-K368 PolarHBondContact OD2-NZ 2.85Å; D151-W371 PolarHBondContact OD1-NE1 3.41Å
152	F	97.7	Very high	93.1	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-61.5	-50.3	172.5	169.8	-110.5	0	0	0	112.5	W146 I150 L154 A155 V156 L201 L436 N440 D449	W146-F152 HydrophobicContact CB-CB 4.39Å; W146-F152 HydrophobicContact CD2-CB 3.95Å; W146-F152 AromaticContact CE2-CD2 3.87Å; W146-F152 HydrophobicContact CG-CB 3.79Å; W146-F152 HydrophobicContact CZ2-CD2 4.26Å; W146-F152 AromaticContact NE1-CD2 3.43Å; I150-F152 VanDerWaalsContact C-N 3.31Å; I150-F152 PolarHBondContact O-N 3.07Å; F152-L154 VanDerWaalsContact C-N 3.33Å; F152-L154 PolarHBondContact O-N 3.39Å; F152-A155 PolarHBondContact O-N 3.06Å; F152-A155 VanDerWaalsContact O-N 3.17Å; F152-V156 HydrophobicContact CD2-CG2 3.83Å; F152-V156 HydrophobicContact CE1-CG2 4.32Å; F152-V156 HydrophobicContact CE2-CG2 3.33Å; F152-V156 HydrophobicContact CZ-CG2 3.62Å; F152-V156 WeakPolarHBondContact O-CG2 3.5Å; F152-V156 PolarHBondContact O-N 3.18Å; F152-L201 HydrophobicContact CZ-CD2 4.04Å; F152-L436 HydrophobicContact CD2-CB 4.47Å; F152-L436 HydrophobicContact CE2-CB 4.1Å; F152-N440 VanDerWaalsContact CD2-OD1 3.24Å; F152-N440 WeakPolarHBondContact CD2-OD1 3.2Å; F152-N440 WeakPolarHBondContact CE1-ND2 3.49Å; F152-N440 WeakPolarHBondContact CE2-ND2 3.42Å; F152-N440 WeakPolarHBondContact CG-OD1 3.49Å; F152-N440 WeakPolarHBondContact CZ-ND2 3.24Å; F152-D449 HydrophobicContact CE1-CB 3.83Å; F152-D449 VanDerWaalsContact CE1-OD2 3.3Å; F152-D449 WeakPolarHBondContact CE1-OD2 3.33Å
153	L	98.3	Very high	94.5	Very high	32 Å²	32	31 Å²	31	17%	0.168	16%	0.157	C	C	.	.	H	α-helix	trans	-60.6	-43.2	-177.3	-178.8	63.1	0	0	0	111.5	K149 I150 V156 I157 D449 I452 T453	K149-L153 WeakPolarHBondContact O-CB 3.3Å; K149-L153 PolarHBondContact O-N 2.8Å; K149-L153 VanDerWaalsContact O-N 3.09Å; I150-L153 PolarHBondContact O-N 3.06Å; L153-V156 PolarHBondContact O-N 3.27Å; L153-I157 HydrophobicContact CD1-CD1 4.11Å; L153-I157 HydrophobicContact CD1-CG1 4.45Å; L153-I157 HydrophobicContact CG-CD1 3.86Å; L153-I157 WeakPolarHBondContact O-CB 3.28Å; L153-I157 VanDerWaalsContact O-CG1 3.24Å; L153-I157 WeakPolarHBondContact O-CG1 3.31Å; L153-I157 PolarHBondContact O-N 2.85Å; L153-D449 HydrophobicContact CD1-CB 4.3Å; L153-I452 HydrophobicContact CD1-CG2 4.25Å; L153-I452 HydrophobicContact CD2-CG2 4.43Å; L153-T453 WeakPolarHBondContact CD1-OG1 3.24Å
154	L	98.1	Very high	95	Very high	26 Å²	26	30.1 Å²	30.1	14%	0.136	16%	0.156	C	C	.	.	H	α-helix	trans	-64.5	-40.7	175.3	-72.2	176.8	0	0	0	111.7	I150 F152 V156 I157 G158 V370 W371 T375	I150-L154 HydrophobicContact CG2-CD1 3.79Å; I150-L154 HydrophobicContact CG2-CG 3.93Å; I150-L154 WeakPolarHBondContact O-CB 3.28Å; I150-L154 WeakPolarHBondContact O-CG 3.49Å; I150-L154 PolarHBondContact O-N 3.27Å; F152-L154 VanDerWaalsContact C-N 3.33Å; F152-L154 PolarHBondContact O-N 3.39Å; L154-V156 VanDerWaalsContact C-N 3.33Å; L154-V156 PolarHBondContact O-N 2.94Å; L154-I157 PolarHBondContact O-N 3.01Å; L154-G158 PolarHBondContact O-N 3.25Å; L154-V370 HydrophobicContact CB-CB 4.47Å; L154-V370 HydrophobicContact CB-CG2 3.94Å; L154-W371 HydrophobicContact CD1-CD2 3.73Å; L154-W371 HydrophobicContact CD1-CE3 4.05Å; L154-W371 HydrophobicContact CD1-CG 4.12Å; L154-W371 HydrophobicContact CD1-CH2 4.44Å; L154-W371 HydrophobicContact CD1-CZ2 4.14Å; L154-W371 HydrophobicContact CD1-CZ3 4.39Å; L154-T375 HydrophobicContact CD2-CG2 4.14Å
155	A	98.4	Very high	95.5	Very high	8 Å²	8	26.9 Å²	26.9	7%	0.066	14%	0.141	C	C	.	.	H	α-helix	trans	-63	-40.5	177.1	0	0	0	0	0	112.4	W146 D151 F152 F159 V370 L436	W146-A155 HydrophobicContact CH2-CB 3.68Å; W146-A155 HydrophobicContact CZ2-CB 4.31Å; W146-A155 HydrophobicContact CZ3-CB 4.16Å; D151-A155 WeakPolarHBondContact O-CB 3.27Å; D151-A155 PolarHBondContact O-N 3.46Å; F152-A155 PolarHBondContact O-N 3.06Å; F152-A155 VanDerWaalsContact O-N 3.17Å; A155-F159 WeakPolarHBondContact O-CB 3.44Å; A155-F159 PolarHBondContact O-N 3.12Å; A155-V370 HydrophobicContact CB-CG1 4.22Å; A155-V370 HydrophobicContact CB-CG2 4.36Å; A155-L436 HydrophobicContact CB-CD1 4.47Å
156	V	98.3	Very high	95.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-73.6	-35.1	178	179.2	0	0	0	0	111.4	F152 L153 L154 A160 F197 L433 L436 T453	F152-V156 HydrophobicContact CD2-CG2 3.83Å; F152-V156 HydrophobicContact CE1-CG2 4.32Å; F152-V156 HydrophobicContact CE2-CG2 3.33Å; F152-V156 HydrophobicContact CZ-CG2 3.62Å; F152-V156 WeakPolarHBondContact O-CG2 3.5Å; F152-V156 PolarHBondContact O-N 3.18Å; L153-V156 PolarHBondContact O-N 3.27Å; L154-V156 VanDerWaalsContact C-N 3.33Å; L154-V156 PolarHBondContact O-N 2.94Å; V156-A160 WeakPolarHBondContact O-CB 3.25Å; V156-A160 PolarHBondContact O-N 3.39Å; V156-F197 HydrophobicContact CG1-CE1 4.03Å; V156-F197 HydrophobicContact CG1-CE2 4.42Å; V156-F197 HydrophobicContact CG1-CZ 3.44Å; V156-F197 VanDerWaalsContact CG1-CZ 3.44Å; V156-L433 HydrophobicContact CG1-CD2 4.13Å; V156-L436 HydrophobicContact CG2-CB 4.17Å; V156-L436 HydrophobicContact CG2-CD1 3.84Å; V156-T453 HydrophobicContact CG1-CG2 3.83Å
157	I	98.3	Very high	94.7	Very high	11 Å²	11	25 Å²	25	6%	0.056	13%	0.131	C	C	.	.	H	α-helix	trans	-65.3	-47	171.6	-71.5	165.8	0	0	0	111	L153 L154 F159 A160 V161 Y378 T453 I456	L153-I157 HydrophobicContact CD1-CD1 4.11Å; L153-I157 HydrophobicContact CD1-CG1 4.45Å; L153-I157 HydrophobicContact CG-CD1 3.86Å; L153-I157 WeakPolarHBondContact O-CB 3.28Å; L153-I157 VanDerWaalsContact O-CG1 3.24Å; L153-I157 WeakPolarHBondContact O-CG1 3.31Å; L153-I157 PolarHBondContact O-N 2.85Å; L154-I157 PolarHBondContact O-N 3.01Å; I157-F159 VanDerWaalsContact C-N 3.28Å; I157-F159 PolarHBondContact O-N 3.01Å; I157-A160 PolarHBondContact O-N 3.48Å; I157-V161 HydrophobicContact CG2-CG2 4.35Å; I157-V161 WeakPolarHBondContact O-CB 3.39Å; I157-V161 PolarHBondContact O-N 2.8Å; I157-Y378 HydrophobicContact CG2-CE2 4.29Å; I157-Y378 WeakPolarHBondContact CG2-OH 3.18Å; I157-T453 HydrophobicContact CB-CG2 4.3Å; I157-T453 HydrophobicContact CG1-CG2 3.67Å; I157-I456 HydrophobicContact CD1-CD1 3.63Å; I157-I456 HydrophobicContact CG1-CD1 4.35Å; I157-I456 HydrophobicContact CG2-CG2 4.05Å
158	G	97.7	Very high	94.7	Very high	2 Å²	2	24.9 Å²	24.9	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-62.3	-35.5	178.7	0	0	0	0	0	112.3	L154 D525	L154-G158 PolarHBondContact O-N 3.25Å; G158-D525 VanDerWaalsContact C-CB 3.4Å; G158-D525 WeakPolarHBondContact O-CB 3.16Å
159	F	97.5	Very high	94.7	Very high	15 Å²	15	22.9 Å²	22.9	7%	0.066	11%	0.11	C	C	.	.	H	α-helix	trans	-66.8	-47.6	171.8	168.8	-110	0	0	0	112.4	A155 I157 F430 V432 L433	A155-F159 WeakPolarHBondContact O-CB 3.44Å; A155-F159 PolarHBondContact O-N 3.12Å; I157-F159 VanDerWaalsContact C-N 3.28Å; I157-F159 PolarHBondContact O-N 3.01Å; F159-F430 HydrophobicContact CZ-CB 4.2Å; F159-F430 HydrophobicContact CZ-CD2 4.5Å; F159-V432 HydrophobicContact CB-CG1 4.29Å; F159-V432 HydrophobicContact CD1-CB 4.23Å; F159-V432 HydrophobicContact CD1-CG1 3.82Å; F159-V432 HydrophobicContact CD2-CB 4.1Å; F159-V432 HydrophobicContact CD2-CG1 3.62Å; F159-V432 HydrophobicContact CD2-CG2 4.12Å; F159-V432 HydrophobicContact CE1-CB 3.89Å; F159-V432 HydrophobicContact CE1-CG1 4.02Å; F159-V432 HydrophobicContact CE2-CB 3.77Å; F159-V432 HydrophobicContact CE2-CG1 3.84Å; F159-V432 HydrophobicContact CE2-CG2 3.56Å; F159-V432 HydrophobicContact CG-CB 4.32Å; F159-V432 HydrophobicContact CG-CG1 3.61Å; F159-V432 HydrophobicContact CZ-CB 3.64Å; F159-V432 HydrophobicContact CZ-CG1 4.03Å; F159-V432 HydrophobicContact CZ-CG2 3.78Å; F159-L433 HydrophobicContact CD1-CD2 3.93Å; F159-L433 HydrophobicContact CE1-CD2 3.92Å; F159-L433 HydrophobicContact CE1-CG 4.26Å
160	A	97.5	Very high	94.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-74.3	-26.3	-174.3	0	0	0	0	0	113.6	V156 I157 N165 F197 S425 T453 N457	V156-A160 WeakPolarHBondContact O-CB 3.25Å; V156-A160 PolarHBondContact O-N 3.39Å; I157-A160 PolarHBondContact O-N 3.48Å; A160-N165 PolarHBondContact O-OD1 3.12Å; A160-N165 VanDerWaalsContact O-OD1 3.06Å; A160-F197 HydrophobicContact CB-CE2 4.44Å; A160-S425 CarbonylContact C-O 3.33Å; A160-S425 WeakPolarHBondContact CA-O 3.39Å; A160-S425 PolarHBondContact O-OG 2.91Å; A160-T453 HydrophobicContact CB-CG2 3.94Å; A160-N457 HydrophobicContact CB-CB 4.37Å; A160-N457 PolarHBondContact O-OD1 3.32Å
161	V	97	Very high	94.4	Very high	3 Å²	3	13 Å²	13	2%	0.018	6%	0.063	C	C	.	.	S	Bend	trans	-100.3	98.1	176.2	178.5	0	0	0	0	108.9	I157 N165 Y378 N457 T460 L522	I157-V161 HydrophobicContact CG2-CG2 4.35Å; I157-V161 WeakPolarHBondContact O-CB 3.39Å; I157-V161 PolarHBondContact O-N 2.8Å; V161-N165 VanDerWaalsContact CA-OD1 3.32Å; V161-N165 WeakPolarHBondContact CA-OD1 3.33Å; V161-Y378 WeakPolarHBondContact CG2-OH 3.48Å; V161-N457 HydrophobicContact CG2-CB 4.3Å; V161-T460 HydrophobicContact CG1-CG2 3.65Å; V161-L522 HydrophobicContact CG1-CD2 3.96Å; V161-L522 WeakPolarHBondContact O-CD2 3.29Å
162	D	93.9	Very high	94.2	Very high	27 Å²	27	13 Å²	13	14%	0.144	6%	0.063	C	C	.	.			trans	-117.6	-172.5	-172.6	71.8	13.5	0	0	0	112.8	G164 N165 S526	D162-G164 PolarHBondContact O-N 3.47Å; D162-G164 WeakPolarHBondContact OD1-CA 3.33Å; D162-G164 PolarHBondContact OD1-N 3.47Å; D162-N165 PolarHBondContact N-OD1 2.86Å; D162-N165 WeakPolarHBondContact O-CB 3.47Å; D162-N165 PolarHBondContact O-N 3.32Å; D162-N165 PolarHBondContact OD1-N 3.03Å; D162-N165 VanDerWaalsContact OD1-N 3.09Å; D162-N165 PolarHBondContact OD1-OD1 3Å; D162-N165 VanDerWaalsContact OD1-OD1 3.09Å; D162-S526 WeakPolarHBondContact CB-OG 3.36Å
163	L	92.2	Very high	94.1	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.01	6%	0.063	C	C	.	.	H	α-helix	trans	-57.6	-37.4	175.3	-68.5	176.6	0	0	0	112.1	N165 I166 W167 Y240 I243 L519 L522	L163-N165 VanDerWaalsContact C-N 3.3Å; L163-N165 PolarHBondContact O-N 3.39Å; L163-I166 PolarHBondContact O-N 2.73Å; L163-I166 VanDerWaalsContact O-N 3.12Å; L163-W167 HydrophobicContact CB-CD2 4.13Å; L163-W167 HydrophobicContact CB-CE3 4.22Å; L163-W167 HydrophobicContact CB-CH2 4.22Å; L163-W167 HydrophobicContact CB-CZ2 3.89Å; L163-W167 HydrophobicContact CB-CZ3 4.32Å; L163-W167 HydrophobicContact CD1-CH2 3.87Å; L163-W167 HydrophobicContact CD1-CZ2 4.16Å; L163-W167 HydrophobicContact CD1-CZ3 4.2Å; L163-W167 HydrophobicContact CD2-CE3 4.3Å; L163-W167 HydrophobicContact CD2-CZ3 4.17Å; L163-W167 HydrophobicContact CG-CH2 4.49Å; L163-W167 HydrophobicContact CG-CZ3 4.49Å; L163-W167 PolarHBondContact O-N 2.8Å; L163-W167 PolarHBondContact O-NE1 2.74Å; L163-Y240 HydrophobicContact CB-CE2 4.41Å; L163-Y240 HydrophobicContact CD1-CE1 4.49Å; L163-Y240 HydrophobicContact CD1-CE2 3.82Å; L163-Y240 HydrophobicContact CG-CE2 4.39Å; L163-Y240 WeakPolarHBondContact CG-OH 3.39Å; L163-Y240 PolarHBondContact N-OH 2.86Å; L163-I243 HydrophobicContact CD1-CG2 3.74Å; L163-L519 HydrophobicContact CD2-CB 3.89Å; L163-L519 HydrophobicContact CD2-CD2 3.55Å; L163-L519 HydrophobicContact CD2-CG 4.32Å; L163-L519 WeakPolarHBondContact CD2-O 3.15Å; L163-L522 HydrophobicContact CD2-CB 4.15Å
164	G	90.1	Very high	93.8	Very high	10 Å²	10	13.4 Å²	13.4	10%	0.103	6%	0.063	C	C	.	.	H	α-helix	trans	-59.2	-37.8	178.5	0	0	0	0	0	112.9	D162 I166 R168 F169	D162-G164 PolarHBondContact O-N 3.47Å; D162-G164 WeakPolarHBondContact OD1-CA 3.33Å; D162-G164 PolarHBondContact OD1-N 3.47Å; G164-I166 VanDerWaalsContact C-N 3.31Å; G164-I166 PolarHBondContact O-N 3.03Å; G164-R168 WeakPolarHBondContact O-CA 3.3Å; G164-R168 WeakPolarHBondContact O-CB 3.48Å; G164-R168 PolarHBondContact O-N 3.05Å; G164-F169 PolarHBondContact O-N 2.99Å
165	N	94.1	Very high	93.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.6	-39.7	175.1	-64.6	103.6	0	0	0	112.7	A160 V161 D162 L163 S425 N457 S461 S464	A160-N165 PolarHBondContact O-OD1 3.12Å; A160-N165 VanDerWaalsContact O-OD1 3.06Å; V161-N165 VanDerWaalsContact CA-OD1 3.32Å; V161-N165 WeakPolarHBondContact CA-OD1 3.33Å; D162-N165 PolarHBondContact N-OD1 2.86Å; D162-N165 WeakPolarHBondContact O-CB 3.47Å; D162-N165 PolarHBondContact O-N 3.32Å; D162-N165 PolarHBondContact OD1-N 3.03Å; D162-N165 VanDerWaalsContact OD1-N 3.09Å; D162-N165 PolarHBondContact OD1-OD1 3Å; D162-N165 VanDerWaalsContact OD1-OD1 3.09Å; L163-N165 VanDerWaalsContact C-N 3.3Å; L163-N165 PolarHBondContact O-N 3.39Å; N165-S425 PolarHBondContact ND2-OG 3.42Å; N165-S425 PolarHBondContact OD1-OG 2.91Å; N165-N457 PolarHBondContact ND2-OD1 2.83Å; N165-N457 PolarHBondContact OD1-OD1 3.12Å; N165-S461 PolarHBondContact ND2-OG 3.43Å; N165-S464 PolarHBondContact O-OG 2.81Å
166	I	89.3	Confident	93.3	Very high	3 Å²	3	17.7 Å²	17.7	2%	0.015	8%	0.076	C	C	.	.	H	α-helix	trans	-81.3	-38	-173.8	-54.1	-46.5	0	0	0	112.1	L163 G164 P170 L381 T460 V468 M518 L522	L163-I166 PolarHBondContact O-N 2.73Å; L163-I166 VanDerWaalsContact O-N 3.12Å; G164-I166 VanDerWaalsContact C-N 3.31Å; G164-I166 PolarHBondContact O-N 3.03Å; I166-P170 WeakPolarHBondContact O-CG 3.21Å; I166-L381 HydrophobicContact CD1-CD1 3.81Å; I166-L381 HydrophobicContact CD1-CD2 3.98Å; I166-L381 HydrophobicContact CD1-CG 4.44Å; I166-L381 HydrophobicContact CG2-CD2 4.49Å; I166-T460 HydrophobicContact CD1-CG2 4.23Å; I166-V468 WeakPolarHBondContact O-CG2 3.46Å; I166-M518 HydrophobicContact CG2-CE 4.03Å; I166-L522 HydrophobicContact CB-CD1 4.47Å; I166-L522 HydrophobicContact CD1-CD1 4.35Å; I166-L522 HydrophobicContact CG1-CD1 3.42Å; I166-L522 VanDerWaalsContact CG1-CD1 3.42Å
167	W	79.6	Confident	93.1	Very high	25 Å²	25	18.2 Å²	18.2	10%	0.095	8%	0.081	C	C	.	.	H	α-helix	trans	-110.9	-31.5	-170.1	65.1	21.5	0	0	0	115	L163 I243 L493 V494 F495 L519	L163-W167 HydrophobicContact CB-CD2 4.13Å; L163-W167 HydrophobicContact CB-CE3 4.22Å; L163-W167 HydrophobicContact CB-CH2 4.22Å; L163-W167 HydrophobicContact CB-CZ2 3.89Å; L163-W167 HydrophobicContact CB-CZ3 4.32Å; L163-W167 HydrophobicContact CD1-CH2 3.87Å; L163-W167 HydrophobicContact CD1-CZ2 4.16Å; L163-W167 HydrophobicContact CD1-CZ3 4.2Å; L163-W167 HydrophobicContact CD2-CE3 4.3Å; L163-W167 HydrophobicContact CD2-CZ3 4.17Å; L163-W167 HydrophobicContact CG-CH2 4.49Å; L163-W167 HydrophobicContact CG-CZ3 4.49Å; L163-W167 PolarHBondContact O-N 2.8Å; L163-W167 PolarHBondContact O-NE1 2.74Å; W167-I243 HydrophobicContact CH2-CG2 3.55Å; W167-I243 HydrophobicContact CZ2-CG2 4.42Å; W167-I243 HydrophobicContact CZ3-CG2 4.32Å; W167-L493 HydrophobicContact CB-CD2 4.24Å; W167-L493 WeakPolarHBondContact O-CD2 3.46Å; W167-V494 HydrophobicContact CB-CG2 3.36Å; W167-V494 HydrophobicContact CD2-CB 4.27Å; W167-V494 HydrophobicContact CD2-CG2 3.58Å; W167-V494 HydrophobicContact CE3-CB 3.37Å; W167-V494 HydrophobicContact CE3-CG1 3.53Å; W167-V494 HydrophobicContact CE3-CG2 3.04Å; W167-V494 HydrophobicContact CG-CG2 3.82Å; W167-V494 HydrophobicContact CZ3-CB 3.58Å; W167-V494 HydrophobicContact CZ3-CG1 3.54Å; W167-V494 HydrophobicContact CZ3-CG2 3.82Å; W167-F495 HydrophobicContact CH2-CE2 4.33Å; W167-F495 HydrophobicContact CZ3-CE2 4.27Å; W167-L519 HydrophobicContact CE3-CD2 4.08Å; W167-L519 HydrophobicContact CZ3-CD2 4.31Å
168	R	89.8	Confident	92.9	Very high	86 Å²	86	17.8 Å²	17.8	33%	0.325	8%	0.079	S	C	.	.	H	α-helix	trans	-98.7	-46.2	-163.5	176.9	-176.4	-172.7	-170.2	-0.8	108	G164 F171 I172	G164-R168 WeakPolarHBondContact O-CA 3.3Å; G164-R168 WeakPolarHBondContact O-CB 3.48Å; G164-R168 PolarHBondContact O-N 3.05Å; R168-F171 PolarHBondContact O-N 2.99Å; R168-I172 HydrophobicContact CG-CD1 3.56Å; R168-I172 HydrophobicContact CG-CG1 4.1Å; R168-I172 WeakPolarHBondContact O-CB 3.41Å; R168-I172 VanDerWaalsContact O-CG1 3.31Å; R168-I172 WeakPolarHBondContact O-CG1 3.38Å; R168-I172 PolarHBondContact O-N 2.76Å
169	F	94.8	Very high	92.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-53.6	-50.8	174.6	169	-87.6	0	0	0	112.8	G164 F171 I172 C173 F181 L182 Y185 Y401 Q421 S461	G164-F169 PolarHBondContact O-N 2.99Å; F169-F171 VanDerWaalsContact C-N 3.3Å; F169-F171 PolarHBondContact O-N 3.34Å; F169-I172 PolarHBondContact O-N 3.28Å; F169-C173 VanDerWaalsContact O-CB 3.32Å; F169-C173 WeakPolarHBondContact O-CB 3.4Å; F169-C173 PolarHBondContact O-N 3.21Å; F169-F181 HydrophobicContact CD2-CE1 4.46Å; F169-F181 HydrophobicContact CE2-CE1 4.16Å; F169-L182 HydrophobicContact CZ-CD2 3.86Å; F169-Y185 HydrophobicContact CD2-CD2 4.08Å; F169-Y185 AromaticContact CD2-CE2 3.6Å; F169-Y185 HydrophobicContact CD2-CE2 3.6Å; F169-Y185 AromaticContact CD2-CZ 3.94Å; F169-Y185 HydrophobicContact CE2-CD1 4.07Å; F169-Y185 AromaticContact CE2-CD2 3.68Å; F169-Y185 HydrophobicContact CE2-CD2 3.68Å; F169-Y185 AromaticContact CE2-CE1 3.91Å; F169-Y185 HydrophobicContact CE2-CE1 3.91Å; F169-Y185 AromaticContact CE2-CE2 3.48Å; F169-Y185 HydrophobicContact CE2-CE2 3.48Å; F169-Y185 VanDerWaalsContact CE2-CE2 3.48Å; F169-Y185 AromaticContact CE2-CG 3.96Å; F169-Y185 HydrophobicContact CE2-CG 3.96Å; F169-Y185 AromaticContact CE2-CZ 3.61Å; F169-Y401 HydrophobicContact CE1-CE2 4.38Å; F169-Y401 WeakPolarHBondContact CE1-OH 3.31Å; F169-Q421 HydrophobicContact CB-CG 4.33Å; F169-Q421 HydrophobicContact CD2-CG 4.04Å; F169-S461 VanDerWaalsContact CD1-C 3.48Å; F169-S461 WeakPolarHBondContact CD1-O 3.29Å; F169-S461 VanDerWaalsContact CE1-C 3.49Å; F169-S461 VanDerWaalsContact CE1-O 3.3Å; F169-S461 WeakPolarHBondContact CE1-O 3.47Å
170	P	93.2	Very high	92.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.2	-42.1	-179.6	-29.1	40	0	0	0	112.8	I166 C173 Y174 S464 V468 F469	I166-P170 WeakPolarHBondContact O-CG 3.21Å; P170-C173 PolarHBondContact O-N 3.01Å; P170-Y174 PolarHBondContact O-N 3.06Å; P170-Y174 VanDerWaalsContact O-N 3.08Å; P170-S464 WeakPolarHBondContact CG-OG 3.35Å; P170-V468 HydrophobicContact CB-CB 4.12Å; P170-V468 HydrophobicContact CB-CG1 4.18Å; P170-V468 HydrophobicContact CB-CG2 3.93Å; P170-V468 HydrophobicContact CG-CB 4.36Å; P170-V468 HydrophobicContact CG-CG2 3.64Å; P170-F469 HydrophobicContact CB-CD2 4Å; P170-F469 HydrophobicContact CB-CE2 3.62Å; P170-F469 WeakPolarHBondContact O-CE2 3.32Å
171	F	90.7	Very high	92.8	Very high	18 Å²	18	17.7 Å²	17.7	8%	0.079	8%	0.082	C	C	.	.	H	α-helix	trans	-64.5	-48.9	176.9	173.8	-97.8	0	0	0	112	R168 F169 C173 Y174 R175 A487 E489 L493	R168-F171 PolarHBondContact O-N 2.99Å; F169-F171 VanDerWaalsContact C-N 3.3Å; F169-F171 PolarHBondContact O-N 3.34Å; F171-C173 VanDerWaalsContact C-N 3.28Å; F171-C173 PolarHBondContact O-N 2.87Å; F171-Y174 PolarHBondContact O-N 3.02Å; F171-R175 HydrophobicContact CE1-CB 4.45Å; F171-R175 HydrophobicContact CZ-CB 4.44Å; F171-R175 WeakPolarHBondContact O-CB 3.19Å; F171-R175 PolarHBondContact O-N 2.91Å; F171-A487 HydrophobicContact CD2-CB 4.13Å; F171-A487 HydrophobicContact CE2-CB 4.26Å; F171-A487 WeakPolarHBondContact CE2-O 3.38Å; F171-E489 HydrophobicContact CD1-CB 3.87Å; F171-E489 HydrophobicContact CD1-CG 3.67Å; F171-E489 HydrophobicContact CE1-CB 3.39Å; F171-E489 HydrophobicContact CE1-CG 3.55Å; F171-E489 HydrophobicContact CZ-CB 3.82Å; F171-E489 HydrophobicContact CZ-CG 4.47Å; F171-L493 HydrophobicContact CB-CD2 4.3Å
172	I	92.4	Very high	92.9	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.015	9%	0.093	C	C	.	.	H	α-helix	trans	-60.7	-39.9	177.9	-69.9	-179.5	0	0	0	110.7	R168 F169 R175 N176 F181 D417	R168-I172 HydrophobicContact CG-CD1 3.56Å; R168-I172 HydrophobicContact CG-CG1 4.1Å; R168-I172 WeakPolarHBondContact O-CB 3.41Å; R168-I172 VanDerWaalsContact O-CG1 3.31Å; R168-I172 WeakPolarHBondContact O-CG1 3.38Å; R168-I172 PolarHBondContact O-N 2.76Å; F169-I172 PolarHBondContact O-N 3.28Å; I172-R175 PolarHBondContact O-N 3.44Å; I172-N176 VanDerWaalsContact CG2-ND2 3.33Å; I172-N176 WeakPolarHBondContact CG2-ND2 3.5Å; I172-N176 VanDerWaalsContact O-CB 3.25Å; I172-N176 WeakPolarHBondContact O-CB 3.48Å; I172-N176 PolarHBondContact O-N 3.44Å; I172-N176 PolarHBondContact O-ND2 2.57Å; I172-N176 VanDerWaalsContact O-ND2 3.17Å; I172-F181 HydrophobicContact CG2-CE1 3.97Å; I172-F181 HydrophobicContact CG2-CE2 3.69Å; I172-F181 HydrophobicContact CG2-CZ 3.35Å; I172-D417 HydrophobicContact CG2-CB 4.08Å
173	C	95.2	Very high	93	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.8	-51.8	176	-172.8	0	0	0	0	110.9	F169 P170 F171 N176 G178 F181 Y401	F169-C173 VanDerWaalsContact O-CB 3.32Å; F169-C173 WeakPolarHBondContact O-CB 3.4Å; F169-C173 PolarHBondContact O-N 3.21Å; P170-C173 PolarHBondContact O-N 3.01Å; F171-C173 VanDerWaalsContact C-N 3.28Å; F171-C173 PolarHBondContact O-N 2.87Å; C173-N176 PolarHBondContact O-N 3.48Å; C173-G178 WeakPolarHBondContact O-CA 3.3Å; C173-G178 PolarHBondContact O-N 2.84Å; C173-G178 PolarHBondContact SG-O 3.4Å; C173-F181 HydrophobicContact CB-CD1 3.89Å; C173-F181 HydrophobicContact CB-CE1 4.49Å; C173-Y401 HydrophobicContact CB-CD2 4.2Å; C173-Y401 HydrophobicContact CB-CE2 3.79Å; C173-Y401 VanDerWaalsContact SG-CE2 3.53Å
174	Y	92.4	Very high	93.3	Very high	43 Å²	43	22 Å²	22	17%	0.169	10%	0.104	C	C	.	.	H	α-helix	trans	-58.4	-52.5	175.9	161.9	-114.1	0	0	0	112.4	P170 F171 N176 G177 G178 Y400 F469 M483 E484 A487	P170-Y174 PolarHBondContact O-N 3.06Å; P170-Y174 VanDerWaalsContact O-N 3.08Å; F171-Y174 PolarHBondContact O-N 3.02Å; Y174-N176 PolarHBondContact O-N 2.82Å; Y174-G177 PolarHBondContact O-N 2.64Å; Y174-G178 PolarHBondContact O-N 3.45Å; Y174-Y400 AromaticContact CE2-CD1 3.83Å; Y174-Y400 HydrophobicContact CE2-CD1 3.83Å; Y174-Y400 HydrophobicContact CE2-CG 4.47Å; Y174-F469 HydrophobicContact CD1-CE1 4.44Å; Y174-F469 HydrophobicContact CD1-CZ 4.27Å; Y174-F469 HydrophobicContact CD2-CE1 4.27Å; Y174-F469 AromaticContact CG-CE1 3.91Å; Y174-F469 HydrophobicContact CG-CE1 3.91Å; Y174-F469 AromaticContact CG-CZ 3.87Å; Y174-F469 HydrophobicContact CG-CZ 3.87Å; Y174-M483 HydrophobicContact CE1-CG 4.34Å; Y174-M483 HydrophobicContact CE2-CG 4.24Å; Y174-E484 WeakPolarHBondContact OH-CG 3.36Å; Y174-A487 HydrophobicContact CD1-CB 4.2Å; Y174-A487 HydrophobicContact CE1-CB 3.98Å
175	R	91.6	Very high	93.6	Very high	115 Å²	115	22 Å²	22	43%	0.434	10%	0.102	S	C	.	.	H	α-helix	trans	-57.6	-36.5	-178.5	-173.6	177.9	81.9	-171.4	-0.2	112.4	F171 I172 G177 D417 E489	F171-R175 HydrophobicContact CE1-CB 4.45Å; F171-R175 HydrophobicContact CZ-CB 4.44Å; F171-R175 WeakPolarHBondContact O-CB 3.19Å; F171-R175 PolarHBondContact O-N 2.91Å; I172-R175 PolarHBondContact O-N 3.44Å; R175-G177 VanDerWaalsContact C-N 3.34Å; R175-G177 PolarHBondContact O-N 3.08Å; R175-D417 IonicContact CZ-OD2 3.77Å; R175-D417 IonicContact NE-OD2 3.83Å; R175-D417 IonicContact NH2-OD1 2.72Å; R175-D417 IonicContact NH2-OD2 3.45Å; R175-D417 PolarHBondContact NH2-OD2 2.88Å; R175-E489 IonicContact CZ-OE2 2.84Å; R175-E489 IonicContact NH1-OE2 2.59Å; R175-E489 PolarHBondContact NH1-OE2 2.84Å
176	N	94.3	Very high	93.8	Very high	9 Å²	9	26.5 Å²	26.5	5%	0.048	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	31	-175	-70.3	-48.9	0	0	0	113.6	I172 C173 Y174 F181 S408 V414 D417	I172-N176 VanDerWaalsContact CG2-ND2 3.33Å; I172-N176 WeakPolarHBondContact CG2-ND2 3.5Å; I172-N176 VanDerWaalsContact O-CB 3.25Å; I172-N176 WeakPolarHBondContact O-CB 3.48Å; I172-N176 PolarHBondContact O-N 3.44Å; I172-N176 PolarHBondContact O-ND2 2.57Å; I172-N176 VanDerWaalsContact O-ND2 3.17Å; C173-N176 PolarHBondContact O-N 3.48Å; Y174-N176 PolarHBondContact O-N 2.82Å; N176-F181 HydrophobicContact CB-CB 4.19Å; N176-F181 HydrophobicContact CB-CD2 3.41Å; N176-F181 VanDerWaalsContact CB-CD2 3.41Å; N176-F181 HydrophobicContact CB-CE2 4.05Å; N176-F181 HydrophobicContact CB-CG 4.06Å; N176-S408 PolarHBondContact O-OG 2.92Å; N176-V414 HydrophobicContact CB-CB 4.44Å; N176-V414 HydrophobicContact CB-CG1 4.14Å; N176-V414 HydrophobicContact CB-CG2 3.95Å; N176-D417 WeakPolarHBondContact ND2-CB 3.22Å; N176-D417 PolarHBondContact ND2-OD2 2.85Å
177	G	93.8	Very high	94.1	Very high	10 Å²	10	28.7 Å²	28.7	10%	0.103	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.9	23.1	171.4	0	0	0	0	0	115.2	Y174 R175 G179 A180 N405	Y174-G177 PolarHBondContact O-N 2.64Å; R175-G177 VanDerWaalsContact C-N 3.34Å; R175-G177 PolarHBondContact O-N 3.08Å; G177-G179 PolarHBondContact O-N 3.42Å; G177-A180 WeakPolarHBondContact O-CB 3.25Å; G177-A180 PolarHBondContact O-N 2.78Å; G177-N405 PolarHBondContact O-N 2.81Å
178	G	94.2	Very high	94.9	Very high	2 Å²	2	27.9 Å²	27.9	2%	0.021	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	58.8	-127.6	177.1	0	0	0	0	0	111.6	C173 Y174 A180 F181 Y401	C173-G178 WeakPolarHBondContact O-CA 3.3Å; C173-G178 PolarHBondContact O-N 2.84Å; C173-G178 PolarHBondContact SG-O 3.4Å; Y174-G178 PolarHBondContact O-N 3.45Å; G178-A180 PolarHBondContact O-N 3.18Å; G178-F181 WeakPolarHBondContact O-CB 3.33Å; G178-F181 PolarHBondContact O-N 2.84Å; G178-Y401 CarbonylContact C-O 3.56Å; G178-Y401 WeakPolarHBondContact CA-O 3.3Å
179	G	95.8	Very high	95.2	Very high	14 Å²	14	24.8 Å²	24.8	14%	0.144	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-57.2	-21.7	-178.4	0	0	0	0	0	115.1	G177 F181 L182 Y401 L402	G177-G179 PolarHBondContact O-N 3.42Å; G179-F181 VanDerWaalsContact C-N 3.32Å; G179-F181 PolarHBondContact O-N 3.38Å; G179-L182 WeakPolarHBondContact O-CB 3.4Å; G179-L182 PolarHBondContact O-N 3.07Å; G179-Y401 PolarHBondContact N-O 2.92Å; G179-L402 WeakPolarHBondContact CA-O 3.23Å; G179-L402 PolarHBondContact N-O 3.4Å
180	A	97.7	Very high	95.4	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.008	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-65.5	-34.7	175.8	0	0	0	0	0	112.1	G177 G178 L182 I183 P184 P404 N405 F406 L409	G177-A180 WeakPolarHBondContact O-CB 3.25Å; G177-A180 PolarHBondContact O-N 2.78Å; G178-A180 PolarHBondContact O-N 3.18Å; A180-L182 PolarHBondContact O-N 2.93Å; A180-I183 WeakPolarHBondContact O-CB 3.27Å; A180-I183 PolarHBondContact O-N 2.99Å; A180-I183 VanDerWaalsContact O-N 3.13Å; A180-P184 VanDerWaalsContact O-CD 3.28Å; A180-P184 WeakPolarHBondContact O-CD 3.47Å; A180-P404 HydrophobicContact CB-CB 4.11Å; A180-N405 WeakPolarHBondContact CB-O 3.16Å; A180-F406 HydrophobicContact CB-CD1 4.37Å; A180-L409 HydrophobicContact CB-CD2 4.34Å; A180-L409 HydrophobicContact CB-CG 4.37Å
181	F	97.5	Very high	95.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-60.6	-24.3	178.2	177.9	-101.3	0	0	0	113.3	F169 I172 C173 N176 G178 G179 I183 P184 Y185 V414 D417 A418	F169-F181 HydrophobicContact CD2-CE1 4.46Å; F169-F181 HydrophobicContact CE2-CE1 4.16Å; I172-F181 HydrophobicContact CG2-CE1 3.97Å; I172-F181 HydrophobicContact CG2-CE2 3.69Å; I172-F181 HydrophobicContact CG2-CZ 3.35Å; C173-F181 HydrophobicContact CB-CD1 3.89Å; C173-F181 HydrophobicContact CB-CE1 4.49Å; N176-F181 HydrophobicContact CB-CB 4.19Å; N176-F181 HydrophobicContact CB-CD2 3.41Å; N176-F181 VanDerWaalsContact CB-CD2 3.41Å; N176-F181 HydrophobicContact CB-CE2 4.05Å; N176-F181 HydrophobicContact CB-CG 4.06Å; G178-F181 WeakPolarHBondContact O-CB 3.33Å; G178-F181 PolarHBondContact O-N 2.84Å; G179-F181 VanDerWaalsContact C-N 3.32Å; G179-F181 PolarHBondContact O-N 3.38Å; F181-I183 PolarHBondContact O-N 3.43Å; F181-P184 HydrophobicContact CD2-CG 4.42Å; F181-P184 WeakPolarHBondContact O-CD 3.48Å; F181-P184 VanDerWaalsContact O-CG 3.24Å; F181-P184 WeakPolarHBondContact O-CG 3.22Å; F181-Y185 HydrophobicContact CE1-CD2 4Å; F181-Y185 HydrophobicContact CE1-CG 4.33Å; F181-Y185 HydrophobicContact CZ-CD2 4.44Å; F181-Y185 VanDerWaalsContact O-CB 3.27Å; F181-Y185 WeakPolarHBondContact O-CB 3.33Å; F181-Y185 PolarHBondContact O-N 3.37Å; F181-V414 HydrophobicContact CD2-CG1 4.17Å; F181-D417 HydrophobicContact CE2-CB 4.3Å; F181-A418 HydrophobicContact CD2-CB 4.42Å; F181-A418 HydrophobicContact CE2-CB 3.62Å; F181-A418 HydrophobicContact CZ-CB 3.84Å
182	L	97.5	Very high	95.6	Very high	45 Å²	45	30.6 Å²	30.6	24%	0.236	15%	0.152	C	C	.	.	H	α-helix	trans	-63.3	-24.8	178.1	-59.6	176.7	0	0	0	112.4	F169 G179 A180 L186 L402 F462	F169-L182 HydrophobicContact CZ-CD2 3.86Å; G179-L182 WeakPolarHBondContact O-CB 3.4Å; G179-L182 PolarHBondContact O-N 3.07Å; A180-L182 PolarHBondContact O-N 2.93Å; L182-L186 VanDerWaalsContact O-CB 3.22Å; L182-L186 WeakPolarHBondContact O-CB 3.31Å; L182-L186 PolarHBondContact O-N 3.13Å; L182-L402 HydrophobicContact CD1-CD2 4.5Å; L182-F462 HydrophobicContact CD1-CD2 4.19Å; L182-F462 HydrophobicContact CD1-CE2 3.75Å; L182-F462 HydrophobicContact CD2-CD2 4.15Å
183	I	97.9	Very high	95.8	Very high	77 Å²	77	30.4 Å²	30.4	40%	0.395	15%	0.151	S	C	.	.	H	α-helix	trans	-66.8	-61.8	176.2	-61.9	170.8	0	0	0	111	A180 F181 Y185 L186 V187 F406 L409	A180-I183 WeakPolarHBondContact O-CB 3.27Å; A180-I183 PolarHBondContact O-N 2.99Å; A180-I183 VanDerWaalsContact O-N 3.13Å; F181-I183 PolarHBondContact O-N 3.43Å; I183-Y185 VanDerWaalsContact C-N 3.26Å; I183-Y185 PolarHBondContact O-N 3.16Å; I183-L186 PolarHBondContact O-N 3.36Å; I183-V187 WeakPolarHBondContact O-CG2 3.27Å; I183-V187 PolarHBondContact O-N 3.2Å; I183-F406 HydrophobicContact CD1-CE1 4.06Å; I183-L409 HydrophobicContact CD1-CD1 4.17Å
184	P	96.6	Very high	95.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.5	-35.2	177.3	23.7	-33.3	0	0	0	111.9	A180 F181 L186 V187 M188 L409 V414 W415 A418	A180-P184 VanDerWaalsContact O-CD 3.28Å; A180-P184 WeakPolarHBondContact O-CD 3.47Å; F181-P184 HydrophobicContact CD2-CG 4.42Å; F181-P184 WeakPolarHBondContact O-CD 3.48Å; F181-P184 VanDerWaalsContact O-CG 3.24Å; F181-P184 WeakPolarHBondContact O-CG 3.22Å; P184-L186 PolarHBondContact O-N 3.04Å; P184-V187 PolarHBondContact O-N 2.98Å; P184-M188 WeakPolarHBondContact O-CB 3.47Å; P184-M188 WeakPolarHBondContact O-CG 3.48Å; P184-M188 PolarHBondContact O-N 3.29Å; P184-L409 HydrophobicContact CG-CD2 4.07Å; P184-V414 HydrophobicContact CG-CG1 3.93Å; P184-W415 HydrophobicContact CB-CD2 3.69Å; P184-W415 HydrophobicContact CB-CE3 3.45Å; P184-W415 VanDerWaalsContact CB-CE3 3.45Å; P184-W415 HydrophobicContact CB-CG 4.3Å; P184-W415 HydrophobicContact CB-CH2 4.16Å; P184-W415 HydrophobicContact CB-CZ2 4.36Å; P184-W415 HydrophobicContact CB-CZ3 3.71Å; P184-A418 HydrophobicContact CB-CB 3.86Å; P184-A418 HydrophobicContact CG-CB 4.29Å
185	Y	97.4	Very high	96.2	Very high	12 Å²	12	28.8 Å²	28.8	5%	0.047	15%	0.145	C	C	.	.	H	α-helix	trans	-58	-48.2	173.8	-177.9	-96.5	0	0	0	112.3	F169 F181 I183 M188 Y189 Q421 I422 C458	F169-Y185 HydrophobicContact CD2-CD2 4.08Å; F169-Y185 AromaticContact CD2-CE2 3.6Å; F169-Y185 HydrophobicContact CD2-CE2 3.6Å; F169-Y185 AromaticContact CD2-CZ 3.94Å; F169-Y185 HydrophobicContact CE2-CD1 4.07Å; F169-Y185 AromaticContact CE2-CD2 3.68Å; F169-Y185 HydrophobicContact CE2-CD2 3.68Å; F169-Y185 AromaticContact CE2-CE1 3.91Å; F169-Y185 HydrophobicContact CE2-CE1 3.91Å; F169-Y185 AromaticContact CE2-CE2 3.48Å; F169-Y185 HydrophobicContact CE2-CE2 3.48Å; F169-Y185 VanDerWaalsContact CE2-CE2 3.48Å; F169-Y185 AromaticContact CE2-CG 3.96Å; F169-Y185 HydrophobicContact CE2-CG 3.96Å; F169-Y185 AromaticContact CE2-CZ 3.61Å; F181-Y185 HydrophobicContact CE1-CD2 4Å; F181-Y185 HydrophobicContact CE1-CG 4.33Å; F181-Y185 HydrophobicContact CZ-CD2 4.44Å; F181-Y185 VanDerWaalsContact O-CB 3.27Å; F181-Y185 WeakPolarHBondContact O-CB 3.33Å; F181-Y185 PolarHBondContact O-N 3.37Å; I183-Y185 VanDerWaalsContact C-N 3.26Å; I183-Y185 PolarHBondContact O-N 3.16Å; Y185-M188 PolarHBondContact O-N 3.19Å; Y185-Y189 WeakPolarHBondContact O-CB 3.43Å; Y185-Y189 PolarHBondContact O-N 3.06Å; Y185-Q421 HydrophobicContact CD2-CG 4.46Å; Y185-Q421 HydrophobicContact CE2-CG 3.95Å; Y185-I422 HydrophobicContact CD1-CD1 4.26Å; Y185-I422 HydrophobicContact CD2-CD1 3.73Å; Y185-I422 HydrophobicContact CD2-CG1 3.79Å; Y185-I422 HydrophobicContact CE1-CD1 3.82Å; Y185-I422 HydrophobicContact CE2-CD1 3.23Å; Y185-I422 HydrophobicContact CE2-CG1 3.69Å; Y185-I422 HydrophobicContact CG-CD1 4.21Å; Y185-I422 HydrophobicContact CG-CG1 4.43Å; Y185-C458 HydrophobicContact CE1-CB 4.11Å
186	L	97.7	Very high	96.5	Very high	94 Å²	94	23.5 Å²	23.5	49%	0.492	13%	0.125	S	C	.	.	H	α-helix	trans	-67.3	-38	178.7	-174.3	69.8	0	0	0	112.3	L182 I183 P184 Y189 I190	L182-L186 VanDerWaalsContact O-CB 3.22Å; L182-L186 WeakPolarHBondContact O-CB 3.31Å; L182-L186 PolarHBondContact O-N 3.13Å; I183-L186 PolarHBondContact O-N 3.36Å; P184-L186 PolarHBondContact O-N 3.04Å; L186-Y189 HydrophobicContact CD1-CD1 3.93Å; L186-Y189 WeakPolarHBondContact O-CB 3.33Å; L186-Y189 PolarHBondContact O-N 2.98Å; L186-I190 HydrophobicContact CD1-CD1 4.28Å; L186-I190 HydrophobicContact CG-CD1 3.99Å; L186-I190 WeakPolarHBondContact O-CG1 3.13Å; L186-I190 PolarHBondContact O-N 3.47Å
187	V	96.6	Very high	96.7	Very high	49 Å²	49	23 Å²	23	30%	0.297	12%	0.123	S	C	.	.	H	α-helix	trans	-63	-47	175.2	172.4	0	0	0	0	110.3	I183 P184 Y189 I190 F191 W415	I183-V187 WeakPolarHBondContact O-CG2 3.27Å; I183-V187 PolarHBondContact O-N 3.2Å; P184-V187 PolarHBondContact O-N 2.98Å; V187-Y189 VanDerWaalsContact C-N 3.32Å; V187-Y189 PolarHBondContact O-N 3.4Å; V187-I190 PolarHBondContact O-N 3.05Å; V187-F191 HydrophobicContact CG1-CD2 4.03Å; V187-F191 WeakPolarHBondContact O-CD2 3.35Å; V187-F191 PolarHBondContact O-N 2.8Å; V187-W415 HydrophobicContact CB-CZ3 4.25Å; V187-W415 HydrophobicContact CG1-CZ3 4.19Å
188	M	95.1	Very high	96.9	Very high	7 Å²	7	22.6 Å²	22.6	3%	0.034	12%	0.118	C	C	.	.	H	α-helix	trans	-66.1	-35.3	178.7	-67.5	-61.6	172.2	0	0	112.2	P184 Y185 G192 G193 W415 A418 A419 I422 F635	P184-M188 WeakPolarHBondContact O-CB 3.47Å; P184-M188 WeakPolarHBondContact O-CG 3.48Å; P184-M188 PolarHBondContact O-N 3.29Å; Y185-M188 PolarHBondContact O-N 3.19Å; M188-G192 CarbonylContact O-C 3.52Å; M188-G192 VanDerWaalsContact O-CA 3.26Å; M188-G192 WeakPolarHBondContact O-CA 3.37Å; M188-G192 PolarHBondContact O-N 3.31Å; M188-G193 PolarHBondContact O-N 3.5Å; M188-W415 HydrophobicContact CE-CB 4.47Å; M188-W415 HydrophobicContact CE-CE3 3.95Å; M188-A418 HydrophobicContact CG-CB 4.3Å; M188-A419 HydrophobicContact CB-CB 4.39Å; M188-A419 HydrophobicContact CE-CB 4.15Å; M188-A419 HydrophobicContact CG-CB 3.78Å; M188-A419 HydrophobicContact SD-CB 3.64Å; M188-I422 HydrophobicContact CB-CB 4.4Å; M188-I422 HydrophobicContact CB-CG1 4.09Å; M188-F635 HydrophobicContact CE-CD1 4.25Å; M188-F635 HydrophobicContact CE-CE1 3.99Å
189	Y	97.2	Very high	97.1	Very high	22 Å²	22	22.6 Å²	22.6	9%	0.086	12%	0.118	C	C	.	.	I	π-helix	trans	-58.2	-54.2	170.2	165	-117.3	0	0	0	111.9	Y185 L186 V187 G193 L194 S454 C458	Y185-Y189 WeakPolarHBondContact O-CB 3.43Å; Y185-Y189 PolarHBondContact O-N 3.06Å; L186-Y189 HydrophobicContact CD1-CD1 3.93Å; L186-Y189 WeakPolarHBondContact O-CB 3.33Å; L186-Y189 PolarHBondContact O-N 2.98Å; V187-Y189 VanDerWaalsContact C-N 3.32Å; V187-Y189 PolarHBondContact O-N 3.4Å; Y189-G193 PolarHBondContact O-N 2.82Å; Y189-L194 HydrophobicContact CD2-CB 4.15Å; Y189-L194 HydrophobicContact CE2-CB 3.81Å; Y189-L194 HydrophobicContact CE2-CD2 4.45Å; Y189-L194 WeakPolarHBondContact O-CB 3.42Å; Y189-L194 PolarHBondContact O-N 3.01Å; Y189-S454 PolarHBondContact OH-OG 3.13Å; Y189-C458 VanDerWaalsContact CD2-SG 3.51Å
190	I	97.6	Very high	97.2	Very high	60 Å²	60	22 Å²	22	31%	0.308	11%	0.111	S	C	.	.	I	π-helix	trans	-67.5	-46.2	-173.5	-68.7	170	0	0	0	111.5	L186 V187 P195 F623	L186-I190 HydrophobicContact CD1-CD1 4.28Å; L186-I190 HydrophobicContact CG-CD1 3.99Å; L186-I190 WeakPolarHBondContact O-CG1 3.13Å; L186-I190 PolarHBondContact O-N 3.47Å; V187-I190 PolarHBondContact O-N 3.05Å; I190-P195 WeakPolarHBondContact O-CD 3.19Å; I190-P195 VanDerWaalsContact O-CG 3.29Å; I190-P195 WeakPolarHBondContact O-CG 3.5Å; I190-F623 HydrophobicContact CG2-CE2 4.26Å; I190-F623 HydrophobicContact CG2-CZ 3.88Å; I190-F623 WeakPolarHBondContact O-CZ 3.36Å
191	F	95.7	Very high	97.3	Very high	78 Å²	78	22 Å²	22	34%	0.342	11%	0.111	S	C	.	.	I	π-helix	trans	-96.3	-20.2	-170.4	-68.9	-82.6	0	0	0	114.3	V187 F623 I631 S632	V187-F191 HydrophobicContact CG1-CD2 4.03Å; V187-F191 WeakPolarHBondContact O-CD2 3.35Å; V187-F191 PolarHBondContact O-N 2.8Å; F191-F623 AromaticContact CD1-CE2 3.96Å; F191-F623 HydrophobicContact CD1-CE2 3.96Å; F191-F623 AromaticContact CE1-CE2 3.86Å; F191-F623 HydrophobicContact CE1-CE2 3.86Å; F191-I631 HydrophobicContact CB-CG2 4.15Å; F191-I631 HydrophobicContact CD1-CD1 4.11Å; F191-S632 PolarHBondContact O-OG 2.97Å
192	G	93.6	Very high	97.3	Very high	1 Å²	1	22 Å²	22	1%	0.01	11%	0.111	C	C	.	.	I	π-helix	trans	-112.2	-70.2	-179.2	0	0	0	0	0	112	M188 P195 L196	M188-G192 CarbonylContact O-C 3.52Å; M188-G192 VanDerWaalsContact O-CA 3.26Å; M188-G192 WeakPolarHBondContact O-CA 3.37Å; M188-G192 PolarHBondContact O-N 3.31Å; G192-P195 WeakPolarHBondContact O-CD 3.5Å; G192-L196 WeakPolarHBondContact O-CG 3.36Å; G192-L196 PolarHBondContact O-N 2.92Å
193	G	96.2	Very high	97.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.1	C	C	.	.	I	π-helix	trans	-60.7	-59.4	-168.8	0	0	0	0	0	114.2	M188 Y189 L196 F197	M188-G193 PolarHBondContact O-N 3.5Å; Y189-G193 PolarHBondContact O-N 2.82Å; G193-L196 PolarHBondContact O-N 2.75Å; G193-F197 VanDerWaalsContact O-CB 3.31Å; G193-F197 WeakPolarHBondContact O-CB 3.18Å; G193-F197 PolarHBondContact O-N 2.95Å
194	L	98	Very high	97.3	Very high	9 Å²	9	16.1 Å²	16.1	5%	0.047	8%	0.081	C	C	.	.	H	α-helix	trans	-60.6	-44.4	-176.6	166.6	63.5	0	0	0	112.7	Y189 F197 Y198 M451 S454 W624	Y189-L194 HydrophobicContact CD2-CB 4.15Å; Y189-L194 HydrophobicContact CE2-CB 3.81Å; Y189-L194 HydrophobicContact CE2-CD2 4.45Å; Y189-L194 WeakPolarHBondContact O-CB 3.42Å; Y189-L194 PolarHBondContact O-N 3.01Å; L194-F197 PolarHBondContact O-N 2.53Å; L194-Y198 PolarHBondContact O-N 3.48Å; L194-M451 HydrophobicContact CD1-SD 3.74Å; L194-M451 HydrophobicContact CD2-CE 4.02Å; L194-M451 HydrophobicContact CD2-SD 3.83Å; L194-M451 HydrophobicContact CG-SD 4.32Å; L194-S454 VanDerWaalsContact CD1-OG 3.27Å; L194-S454 WeakPolarHBondContact CD1-OG 3.29Å; L194-W624 HydrophobicContact CD1-CH2 4.1Å; L194-W624 HydrophobicContact CD1-CZ3 4.41Å; L194-W624 HydrophobicContact CD2-CH2 3.85Å; L194-W624 HydrophobicContact CD2-CZ3 4.4Å; L194-W624 HydrophobicContact CG-CH2 3.7Å; L194-W624 HydrophobicContact CG-CZ3 3.86Å
195	P	98.1	Very high	97.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-56.5	-50.9	173	-29.1	36.6	0	0	0	113.5	I190 G192 F197 Y198 L199 F623 W624 C627 W628	I190-P195 WeakPolarHBondContact O-CD 3.19Å; I190-P195 VanDerWaalsContact O-CG 3.29Å; I190-P195 WeakPolarHBondContact O-CG 3.5Å; G192-P195 WeakPolarHBondContact O-CD 3.5Å; P195-F197 VanDerWaalsContact C-N 3.34Å; P195-F197 PolarHBondContact O-N 2.8Å; P195-Y198 PolarHBondContact O-N 3.13Å; P195-L199 WeakPolarHBondContact O-CB 3.34Å; P195-L199 PolarHBondContact O-N 3.13Å; P195-F623 HydrophobicContact CG-CE1 4.35Å; P195-F623 HydrophobicContact CG-CZ 4.44Å; P195-W624 HydrophobicContact CB-CE3 4.15Å; P195-W624 HydrophobicContact CB-CZ3 4.28Å; P195-W624 HydrophobicContact CG-CE3 4.21Å; P195-W624 HydrophobicContact CG-CZ3 4.07Å; P195-C627 HydrophobicContact CB-CB 3.62Å; P195-C627 HydrophobicContact CG-CB 3.71Å; P195-W628 VanDerWaalsContact C-NE1 3.31Å; P195-W628 PolarHBondContact O-NE1 2.93Å
196	L	97.6	Very high	97	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.016	8%	0.08	C	C	.	.	H	α-helix	trans	-66.8	-37.2	-178.2	-65.2	-179.9	0	0	0	112.4	G192 G193 Y198 L199 E200 F423 P428 V592 C596 L636	G192-L196 WeakPolarHBondContact O-CG 3.36Å; G192-L196 PolarHBondContact O-N 2.92Å; G193-L196 PolarHBondContact O-N 2.75Å; L196-Y198 PolarHBondContact O-N 3.48Å; L196-L199 WeakPolarHBondContact O-CB 3.32Å; L196-L199 PolarHBondContact O-N 3.16Å; L196-E200 PolarHBondContact O-N 3.4Å; L196-F423 HydrophobicContact CD1-CD1 4.1Å; L196-F423 HydrophobicContact CD1-CE1 3.55Å; L196-F423 HydrophobicContact CD1-CZ 4.37Å; L196-P428 HydrophobicContact CB-CB 3.97Å; L196-P428 HydrophobicContact CB-CG 3.9Å; L196-V592 HydrophobicContact CD1-CG1 3.73Å; L196-C596 WeakPolarHBondContact CD2-SG 3.15Å; L196-L636 HydrophobicContact CD1-CD1 3.83Å
197	F	98.2	Very high	96.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59	-47	173.9	-165.5	-90.4	0	0	0	111.6	V156 A160 G193 L194 P195 L201 L426 L433 A450 T453	V156-F197 HydrophobicContact CG1-CE1 4.03Å; V156-F197 HydrophobicContact CG1-CE2 4.42Å; V156-F197 HydrophobicContact CG1-CZ 3.44Å; V156-F197 VanDerWaalsContact CG1-CZ 3.44Å; A160-F197 HydrophobicContact CB-CE2 4.44Å; G193-F197 VanDerWaalsContact O-CB 3.31Å; G193-F197 WeakPolarHBondContact O-CB 3.18Å; G193-F197 PolarHBondContact O-N 2.95Å; L194-F197 PolarHBondContact O-N 2.53Å; P195-F197 VanDerWaalsContact C-N 3.34Å; P195-F197 PolarHBondContact O-N 2.8Å; F197-L201 HydrophobicContact CD1-CD1 3.77Å; F197-L201 HydrophobicContact CD1-CG 4.26Å; F197-L201 HydrophobicContact CE1-CD1 3.46Å; F197-L201 VanDerWaalsContact CE1-CD1 3.46Å; F197-L201 HydrophobicContact CE1-CG 4.18Å; F197-L201 HydrophobicContact CZ-CD1 4.38Å; F197-L201 WeakPolarHBondContact O-CG 3.46Å; F197-L201 PolarHBondContact O-N 3Å; F197-L201 VanDerWaalsContact O-N 3.14Å; F197-L426 HydrophobicContact CD2-CB 3.84Å; F197-L426 HydrophobicContact CD2-CD2 4.14Å; F197-L426 HydrophobicContact CD2-CG 4.46Å; F197-L426 WeakPolarHBondContact CD2-O 3.4Å; F197-L426 HydrophobicContact CE2-CB 4.34Å; F197-L426 HydrophobicContact CE2-CD2 4.25Å; F197-L426 VanDerWaalsContact CE2-O 3.23Å; F197-L426 WeakPolarHBondContact CE2-O 3.33Å; F197-L433 HydrophobicContact CB-CD1 4.48Å; F197-L433 HydrophobicContact CD2-CD1 3.35Å; F197-L433 HydrophobicContact CD2-CD2 4.06Å; F197-L433 HydrophobicContact CD2-CG 4.35Å; F197-L433 HydrophobicContact CE2-CD1 3.69Å; F197-L433 HydrophobicContact CE2-CD2 3.46Å; F197-L433 VanDerWaalsContact CE2-CD2 3.46Å; F197-L433 HydrophobicContact CE2-CG 4.22Å; F197-L433 HydrophobicContact CG-CD1 3.95Å; F197-L433 HydrophobicContact CZ-CD1 4.48Å; F197-L433 HydrophobicContact CZ-CD2 3.77Å; F197-A450 HydrophobicContact CD1-CB 3.95Å; F197-A450 HydrophobicContact CE1-CB 4.46Å; F197-T453 HydrophobicContact CE1-CG2 4.34Å; F197-T453 HydrophobicContact CZ-CG2 3.81Å
198	Y	98.5	Very high	96.5	Very high	1 Å²	1	9.7 Å²	9.7	0%	0.004	5%	0.045	C	C	.	.	H	α-helix	trans	-64.5	-40	175.6	176.8	-144.4	0	0	0	112.2	L194 P195 L196 E200 L201 A202 Y447 A450 V612 L616 W624 W628	L194-Y198 PolarHBondContact O-N 3.48Å; P195-Y198 PolarHBondContact O-N 3.13Å; L196-Y198 PolarHBondContact O-N 3.48Å; Y198-E200 PolarHBondContact O-N 3.2Å; Y198-L201 PolarHBondContact O-N 3.18Å; Y198-A202 HydrophobicContact CD2-CB 4.42Å; Y198-A202 HydrophobicContact CE2-CB 4.15Å; Y198-A202 VanDerWaalsContact O-CB 3.29Å; Y198-A202 WeakPolarHBondContact O-CB 2.88Å; Y198-A202 PolarHBondContact O-N 3.28Å; Y198-Y447 HydrophobicContact CD1-CD2 4.25Å; Y198-Y447 AromaticContact CE1-CD2 3.84Å; Y198-Y447 HydrophobicContact CE1-CD2 3.84Å; Y198-Y447 HydrophobicContact CE1-CE2 4.5Å; Y198-Y447 HydrophobicContact CE2-CD2 4.18Å; Y198-Y447 AromaticContact CZ-CD2 3.79Å; Y198-A450 HydrophobicContact CD2-CB 4.19Å; Y198-A450 HydrophobicContact CG-CB 4.33Å; Y198-V612 VanDerWaalsContact OH-CG1 3.23Å; Y198-V612 WeakPolarHBondContact OH-CG1 3.44Å; Y198-L616 HydrophobicContact CE2-CD1 4.28Å; Y198-L616 WeakPolarHBondContact OH-CD1 3.46Å; Y198-W624 AromaticContact CD1-CD2 3.93Å; Y198-W624 HydrophobicContact CD1-CD2 3.93Å; Y198-W624 AromaticContact CD1-CE3 3.81Å; Y198-W624 HydrophobicContact CD1-CE3 3.81Å; Y198-W624 HydrophobicContact CD1-CG 4.44Å; Y198-W624 HydrophobicContact CD1-CZ3 4.11Å; Y198-W624 HydrophobicContact CE1-CD2 4.27Å; Y198-W624 HydrophobicContact CE1-CG 4.41Å; Y198-W628 AromaticContact CD1-CH2 3.94Å; Y198-W628 HydrophobicContact CD1-CH2 3.94Å; Y198-W628 AromaticContact CD1-CZ2 3.39Å; Y198-W628 HydrophobicContact CD1-CZ2 3.39Å; Y198-W628 AromaticContact CE1-CH2 3.73Å; Y198-W628 HydrophobicContact CE1-CH2 3.73Å; Y198-W628 AromaticContact CE1-CZ2 3.7Å; Y198-W628 HydrophobicContact CE1-CZ2 3.7Å; Y198-W628 HydrophobicContact CG-CZ2 4.1Å
199	L	98.4	Very high	96.4	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.01	4%	0.043	C	C	.	.	H	α-helix	trans	-57.1	-49.5	177.6	-179.8	148.7	0	0	0	111.5	P195 L196 A202 L203 L599 F608 W628	P195-L199 WeakPolarHBondContact O-CB 3.34Å; P195-L199 PolarHBondContact O-N 3.13Å; L196-L199 WeakPolarHBondContact O-CB 3.32Å; L196-L199 PolarHBondContact O-N 3.16Å; L199-A202 PolarHBondContact O-N 3Å; L199-L203 VanDerWaalsContact O-CB 3.27Å; L199-L203 WeakPolarHBondContact O-CB 3.4Å; L199-L203 PolarHBondContact O-N 3.41Å; L199-L599 HydrophobicContact CD1-CD2 3.88Å; L199-L599 HydrophobicContact CD2-CD2 3.65Å; L199-L599 HydrophobicContact CG-CD2 3.67Å; L199-F608 HydrophobicContact CG-CE1 4.2Å; L199-W628 HydrophobicContact CB-CD2 4.46Å; L199-W628 HydrophobicContact CB-CG 4.49Å; L199-W628 HydrophobicContact CB-CZ2 4.24Å; L199-W628 HydrophobicContact CD1-CB 3.8Å; L199-W628 HydrophobicContact CD1-CD2 3.99Å; L199-W628 HydrophobicContact CD1-CG 3.56Å
200	E	98.3	Very high	96.3	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-69.3	-41.1	-179.5	-80.5	-172.1	-131.3	0	0	113	L196 Y198 A202 L203 G204 P428 G429 L433 L434	L196-E200 PolarHBondContact O-N 3.4Å; Y198-E200 PolarHBondContact O-N 3.2Å; E200-A202 VanDerWaalsContact C-N 3.3Å; E200-A202 PolarHBondContact O-N 3.44Å; E200-L203 PolarHBondContact O-N 3.46Å; E200-G204 PolarHBondContact O-N 3.3Å; E200-P428 VanDerWaalsContact OE1-C 3.27Å; E200-P428 WeakPolarHBondContact OE1-CA 3.27Å; E200-P428 VanDerWaalsContact OE1-CB 3.23Å; E200-P428 WeakPolarHBondContact OE1-CB 3.34Å; E200-G429 PolarHBondContact OE1-N 2.99Å; E200-L433 HydrophobicContact CB-CB 3.78Å; E200-L433 HydrophobicContact CB-CD1 4.16Å; E200-L434 HydrophobicContact CB-CD2 4.29Å; E200-L434 HydrophobicContact CB-CG 4.38Å; E200-L434 HydrophobicContact CG-CD2 4.34Å; E200-L434 HydrophobicContact CG-CG 4.28Å; E200-L434 WeakPolarHBondContact O-CD2 3.33Å
201	L	98.5	Very high	96.3	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-61.7	-40.9	176	-70.5	-172.6	0	0	0	111.9	F152 F197 Y198 Q205 L433 S437 C446 A450	F152-L201 HydrophobicContact CZ-CD2 4.04Å; F197-L201 HydrophobicContact CD1-CD1 3.77Å; F197-L201 HydrophobicContact CD1-CG 4.26Å; F197-L201 HydrophobicContact CE1-CD1 3.46Å; F197-L201 VanDerWaalsContact CE1-CD1 3.46Å; F197-L201 HydrophobicContact CE1-CG 4.18Å; F197-L201 HydrophobicContact CZ-CD1 4.38Å; F197-L201 WeakPolarHBondContact O-CG 3.46Å; F197-L201 PolarHBondContact O-N 3Å; F197-L201 VanDerWaalsContact O-N 3.14Å; Y198-L201 PolarHBondContact O-N 3.18Å; L201-Q205 VanDerWaalsContact O-CB 3.25Å; L201-Q205 WeakPolarHBondContact O-CB 3.36Å; L201-Q205 PolarHBondContact O-N 3.39Å; L201-Q205 VanDerWaalsContact O-N 3.13Å; L201-L433 HydrophobicContact CD2-CB 3.92Å; L201-L433 HydrophobicContact CD2-CD2 4.13Å; L201-S437 WeakPolarHBondContact O-CB 3.43Å; L201-S437 PolarHBondContact O-OG 3.31Å; L201-C446 HydrophobicContact CB-CB 4.27Å; L201-A450 HydrophobicContact CD1-CB 4.07Å
202	A	98.2	Very high	96.3	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-67.3	-44.2	175.2	0	0	0	0	0	111.6	Y198 L199 E200 Y206 F608 V612 M615	Y198-A202 HydrophobicContact CD2-CB 4.42Å; Y198-A202 HydrophobicContact CE2-CB 4.15Å; Y198-A202 VanDerWaalsContact O-CB 3.29Å; Y198-A202 WeakPolarHBondContact O-CB 2.88Å; Y198-A202 PolarHBondContact O-N 3.28Å; L199-A202 PolarHBondContact O-N 3Å; E200-A202 VanDerWaalsContact C-N 3.3Å; E200-A202 PolarHBondContact O-N 3.44Å; A202-Y206 VanDerWaalsContact O-CB 3.31Å; A202-Y206 WeakPolarHBondContact O-CB 3.37Å; A202-Y206 PolarHBondContact O-N 3.35Å; A202-F608 HydrophobicContact CB-CZ 3.85Å; A202-V612 HydrophobicContact CB-CG2 3.98Å; A202-M615 HydrophobicContact CB-CE 4.22Å; A202-M615 WeakPolarHBondContact O-CE 3.45Å
203	L	97.6	Very high	96.4	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-63	-47.6	-179.6	-178.1	61	0	0	0	111.8	L199 E200 Y206 Q207 V214 W215 I218 L434 L599 F608	L199-L203 VanDerWaalsContact O-CB 3.27Å; L199-L203 WeakPolarHBondContact O-CB 3.4Å; L199-L203 PolarHBondContact O-N 3.41Å; E200-L203 PolarHBondContact O-N 3.46Å; L203-Y206 PolarHBondContact O-N 3.42Å; L203-Q207 HydrophobicContact CD1-CG 3.78Å; L203-Q207 HydrophobicContact CG-CG 4.47Å; L203-Q207 WeakPolarHBondContact O-CB 3.28Å; L203-Q207 WeakPolarHBondContact O-CG 3.36Å; L203-Q207 PolarHBondContact O-N 2.04Å; L203-V214 HydrophobicContact CD1-CG1 4.37Å; L203-V214 HydrophobicContact CD2-CG1 3.79Å; L203-V214 HydrophobicContact CG-CG1 3.94Å; L203-W215 HydrophobicContact CD2-CH2 3.69Å; L203-W215 HydrophobicContact CD2-CZ2 3.95Å; L203-W215 HydrophobicContact CD2-CZ3 4.28Å; L203-I218 HydrophobicContact CD1-CD1 3.74Å; L203-I218 HydrophobicContact CD1-CG1 4.02Å; L203-L434 HydrophobicContact CB-CD2 3.87Å; L203-L434 HydrophobicContact CD2-CD2 3.84Å; L203-L434 HydrophobicContact CG-CD2 3.85Å; L203-L599 HydrophobicContact CD1-CD1 3.84Å; L203-L599 HydrophobicContact CD2-CD1 4.36Å; L203-L599 HydrophobicContact CD2-CD2 4.2Å; L203-F608 HydrophobicContact CB-CE2 4.11Å; L203-F608 HydrophobicContact CB-CZ 4.22Å; L203-F608 HydrophobicContact CD1-CE2 4.05Å
204	G	97	Very high	96.3	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-64.8	-44.6	179.4	0	0	0	0	0	112.1	E200 Y206 Q207 R208 S437 S438	E200-G204 PolarHBondContact O-N 3.3Å; G204-Y206 VanDerWaalsContact C-N 3.33Å; G204-Y206 PolarHBondContact O-N 3.46Å; G204-Q207 PolarHBondContact O-N 3.14Å; G204-R208 WeakPolarHBondContact O-CA 3.3Å; G204-R208 PolarHBondContact O-N 2.92Å; G204-S437 VanDerWaalsContact CA-OG 3.26Å; G204-S437 WeakPolarHBondContact CA-OG 3.3Å; G204-S438 VanDerWaalsContact O-CA 3.28Å; G204-S438 WeakPolarHBondContact O-CA 3.11Å
205	Q	95.3	Very high	96.3	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-61.2	-39.7	175.9	-175.4	171.3	-62.3	0	0	112.6	L201 R208 S437 N440 F442 N444 M615	L201-Q205 VanDerWaalsContact O-CB 3.25Å; L201-Q205 WeakPolarHBondContact O-CB 3.36Å; L201-Q205 PolarHBondContact O-N 3.39Å; L201-Q205 VanDerWaalsContact O-N 3.13Å; Q205-R208 WeakPolarHBondContact O-CG 3.13Å; Q205-S437 WeakPolarHBondContact CA-O 3.19Å; Q205-S437 PolarHBondContact N-OG 3.26Å; Q205-N440 HydrophobicContact CG-CB 4.01Å; Q205-N440 PolarHBondContact OE1-ND2 3.44Å; Q205-F442 PolarHBondContact NE2-O 3.33Å; Q205-N444 PolarHBondContact NE2-O 3.49Å; Q205-N444 PolarHBondContact OE1-O 2.94Å; Q205-M615 HydrophobicContact CB-SD 4.01Å; Q205-M615 HydrophobicContact CG-SD 3.83Å
206	Y	93.4	Very high	96.1	Very high	5 Å²	5	7.4 Å²	7.4	2%	0.02	3%	0.034	C	C	.	.	H	α-helix	trans	-70.9	-48.9	179.4	-174.1	-103.3	0	0	0	112.2	A202 L203 G204 R208 F442 D611 M614 M615 R708	A202-Y206 VanDerWaalsContact O-CB 3.31Å; A202-Y206 WeakPolarHBondContact O-CB 3.37Å; A202-Y206 PolarHBondContact O-N 3.35Å; L203-Y206 PolarHBondContact O-N 3.42Å; G204-Y206 VanDerWaalsContact C-N 3.33Å; G204-Y206 PolarHBondContact O-N 3.46Å; Y206-R208 VanDerWaalsContact C-N 3.34Å; Y206-F442 AromaticContact CD2-CE2 3.94Å; Y206-F442 HydrophobicContact CD2-CE2 3.94Å; Y206-F442 HydrophobicContact CD2-CZ 4.12Å; Y206-F442 HydrophobicContact CE2-CE2 4.36Å; Y206-F442 HydrophobicContact CE2-CZ 4.27Å; Y206-D611 HydrophobicContact CD1-CB 4.02Å; Y206-D611 HydrophobicContact CD2-CB 3.7Å; Y206-D611 HydrophobicContact CE1-CB 3.81Å; Y206-D611 VanDerWaalsContact CE1-CG 3.41Å; Y206-D611 HydrophobicContact CE2-CB 3.47Å; Y206-D611 VanDerWaalsContact CE2-CB 3.47Å; Y206-D611 HydrophobicContact CG-CB 3.96Å; Y206-D611 PolarHBondContact OH-OD1 2.97Å; Y206-M614 HydrophobicContact CE2-SD 4.41Å; Y206-M615 VanDerWaalsContact CA-SD 3.54Å; Y206-M615 VanDerWaalsContact CB-SD 3.59Å; Y206-M615 HydrophobicContact CD2-CE 4.19Å; Y206-M615 HydrophobicContact CD2-CG 4.05Å; Y206-M615 HydrophobicContact CD2-SD 4.02Å; Y206-M615 HydrophobicContact CG-CE 4.38Å; Y206-M615 HydrophobicContact CG-SD 4.32Å; Y206-M615 PolarHBondContact N-SD 3.48Å; Y206-M615 VanDerWaalsContact N-SD 3.45Å; Y206-R708 PolarHBondContact OH-NH1 3.35Å
207	Q	92.6	Very high	95.9	Very high	12 Å²	12	9.1 Å²	9.1	6%	0.056	4%	0.041	C	C	.	.	H	α-helix	trans	-79.3	-16.6	-174.1	-69.4	-64.7	-24.6	0	0	113.5	L203 G204 S209 V214 R217 I218	L203-Q207 HydrophobicContact CD1-CG 3.78Å; L203-Q207 HydrophobicContact CG-CG 4.47Å; L203-Q207 WeakPolarHBondContact O-CB 3.28Å; L203-Q207 WeakPolarHBondContact O-CG 3.36Å; L203-Q207 PolarHBondContact O-N 2.04Å; G204-Q207 PolarHBondContact O-N 3.14Å; Q207-S209 PolarHBondContact O-N 3.31Å; Q207-S209 VanDerWaalsContact O-N 3.08Å; Q207-S209 PolarHBondContact O-OG 3.14Å; Q207-V214 HydrophobicContact CB-CG2 3.9Å; Q207-V214 HydrophobicContact CG-CG1 4.42Å; Q207-R217 PolarHBondContact O-NH1 2.95Å; Q207-I218 HydrophobicContact CG-CD1 4.25Å
208	R	92.1	Very high	95.7	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.008	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	42	46.7	-177.1	-63.9	-164.3	72.8	-177.2	-1.5	112.2	R143 G204 Q205 Y206 Y711 D713	R143-R208 VanDerWaalsContact NH1-C 3.34Å; R143-R208 PolarHBondContact NH1-O 3.1Å; R143-R208 PolarHBondContact O-NH2 3.02Å; G204-R208 WeakPolarHBondContact O-CA 3.3Å; G204-R208 PolarHBondContact O-N 2.92Å; Q205-R208 WeakPolarHBondContact O-CG 3.13Å; Y206-R208 VanDerWaalsContact C-N 3.34Å; R208-Y711 HydrophobicContact CB-CE2 3.94Å; R208-Y711 PolarHBondContact O-OH 3.36Å; R208-D713 IonicContact NH1-OD2 2.75Å; R208-D713 PolarHBondContact NH1-OD2 2.99Å
209	S	92.2	Very high	95.6	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	-148.4	160.3	178.9	41.7	0	0	0	0	112.9	Q207 V214 R217 D540	Q207-S209 PolarHBondContact O-N 3.31Å; Q207-S209 VanDerWaalsContact O-N 3.08Å; Q207-S209 PolarHBondContact O-OG 3.14Å; S209-V214 WeakPolarHBondContact O-CG2 3.31Å; S209-V214 VanDerWaalsContact OG-CG2 3.24Å; S209-V214 WeakPolarHBondContact OG-CG2 3.27Å; S209-R217 PolarHBondContact OG-NH1 2.99Å; S209-D540 WeakPolarHBondContact CA-OD2 3.1Å
210	G	94.5	Very high	95.5	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.042	C	C	.	.			trans	-79.1	171	171.9	0	0	0	0	0	113.1	L212 T213 V214 D540	G210-L212 PolarHBondContact O-N 2.85Å; G210-T213 PolarHBondContact O-N 3.48Å; G210-T213 VanDerWaalsContact O-N 3.14Å; G210-V214 VanDerWaalsContact O-CG2 3.3Å; G210-V214 WeakPolarHBondContact O-CG2 3.33Å; G210-V214 PolarHBondContact O-N 3.19Å; G210-D540 PolarHBondContact N-OD2 2.74Å
211	C	97.5	Very high	95.4	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.007	4%	0.043	C	C	.	.	H	α-helix	trans	-58.8	-37	-165.7	63	0	0	0	0	115	T213 W215 I229 L434 A537	C211-T213 PolarHBondContact O-N 3.36Å; C211-W215 PolarHBondContact O-N 3.44Å; C211-W215 VanDerWaalsContact O-N 3.14Å; C211-I229 HydrophobicContact CB-CB 4.44Å; C211-I229 HydrophobicContact CB-CD1 3.83Å; C211-I229 HydrophobicContact CB-CG2 4.22Å; C211-L434 HydrophobicContact CB-CD1 4.24Å; C211-A537 VanDerWaalsContact SG-CB 3.52Å
212	L	96.9	Very high	95.3	Very high	18 Å²	18	10.2 Å²	10.2	9%	0.094	5%	0.046	C	C	.	.	H	α-helix	trans	-60.7	-46.5	177.3	-72.8	175.9	0	0	0	112.3	G210 K216 G226 F227 A537 I538 S541	G210-L212 PolarHBondContact O-N 2.85Å; L212-K216 WeakPolarHBondContact O-CB 3.35Å; L212-K216 PolarHBondContact O-N 3.3Å; L212-G226 VanDerWaalsContact CD2-C 3.46Å; L212-F227 HydrophobicContact CD2-CB 4.24Å; L212-F227 HydrophobicContact CD2-CD1 3.71Å; L212-F227 HydrophobicContact CD2-CD2 3.48Å; L212-F227 VanDerWaalsContact CD2-CD2 3.48Å; L212-F227 HydrophobicContact CD2-CE1 3.83Å; L212-F227 HydrophobicContact CD2-CE2 3.62Å; L212-F227 HydrophobicContact CD2-CG 3.53Å; L212-F227 HydrophobicContact CD2-CZ 3.79Å; L212-A537 HydrophobicContact CB-CB 4.21Å; L212-A537 HydrophobicContact CD1-CB 4.02Å; L212-A537 HydrophobicContact CG-CB 3.89Å; L212-I538 HydrophobicContact CD1-CG1 4.42Å; L212-S541 WeakPolarHBondContact CB-OG 3.18Å
213	T	94.4	Very high	95.2	Very high	14 Å²	14	10.5 Å²	10.5	9%	0.086	5%	0.048	C	C	.	.	H	α-helix	trans	-77.9	-40.3	-178	-63.2	0	0	0	0	111.5	G210 C211 K216 R217	G210-T213 PolarHBondContact O-N 3.48Å; G210-T213 VanDerWaalsContact O-N 3.14Å; C211-T213 PolarHBondContact O-N 3.36Å; T213-K216 PolarHBondContact O-N 3.49Å; T213-R217 HydrophobicContact CG2-CG 4.42Å; T213-R217 WeakPolarHBondContact O-CB 3Å; T213-R217 WeakPolarHBondContact O-CG 3.46Å; T213-R217 PolarHBondContact O-N 3.14Å
214	V	95.7	Very high	95.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-56.6	-54.7	177.7	169.1	0	0	0	0	110.9	L203 Q207 S209 G210 K216 R217 I218	L203-V214 HydrophobicContact CD1-CG1 4.37Å; L203-V214 HydrophobicContact CD2-CG1 3.79Å; L203-V214 HydrophobicContact CG-CG1 3.94Å; Q207-V214 HydrophobicContact CB-CG2 3.9Å; Q207-V214 HydrophobicContact CG-CG1 4.42Å; S209-V214 WeakPolarHBondContact O-CG2 3.31Å; S209-V214 VanDerWaalsContact OG-CG2 3.24Å; S209-V214 WeakPolarHBondContact OG-CG2 3.27Å; G210-V214 VanDerWaalsContact O-CG2 3.3Å; G210-V214 WeakPolarHBondContact O-CG2 3.33Å; G210-V214 PolarHBondContact O-N 3.19Å; V214-K216 VanDerWaalsContact C-N 3.34Å; V214-K216 PolarHBondContact O-N 3.27Å; V214-R217 PolarHBondContact O-N 3.49Å; V214-R217 VanDerWaalsContact O-N 3.12Å; V214-I218 HydrophobicContact CG1-CG1 4.16Å; V214-I218 WeakPolarHBondContact O-CB 3.33Å; V214-I218 WeakPolarHBondContact O-CG1 3.15Å; V214-I218 PolarHBondContact O-N 3.34Å
215	W	97	Very high	95.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-70.5	-32.4	-174.2	-67.9	120.3	0	0	0	112.6	L203 C211 R217 I218 C219 V225 L434 E595 A598 L599	L203-W215 HydrophobicContact CD2-CH2 3.69Å; L203-W215 HydrophobicContact CD2-CZ2 3.95Å; L203-W215 HydrophobicContact CD2-CZ3 4.28Å; C211-W215 PolarHBondContact O-N 3.44Å; C211-W215 VanDerWaalsContact O-N 3.14Å; W215-R217 VanDerWaalsContact C-N 3.35Å; W215-I218 HydrophobicContact CE3-CB 4.45Å; W215-I218 HydrophobicContact CE3-CG2 4.36Å; W215-I218 HydrophobicContact CZ3-CG2 4.24Å; W215-C219 CarbonylContact O-C 3.34Å; W215-C219 PolarHBondContact O-N 3.07Å; W215-C219 VanDerWaalsContact O-N 3.12Å; W215-V225 HydrophobicContact CB-CB 4.25Å; W215-V225 VanDerWaalsContact CD1-CG1 3.46Å; W215-V225 HydrophobicContact CD2-CB 4.28Å; W215-V225 HydrophobicContact CD2-CG1 3.83Å; W215-V225 HydrophobicContact CG-CB 3.9Å; W215-V225 HydrophobicContact CG-CG1 3.74Å; W215-V225 HydrophobicContact CZ2-CG1 4.5Å; W215-L434 HydrophobicContact CZ2-CD1 4.28Å; W215-E595 HydrophobicContact CH2-CB 3.44Å; W215-E595 VanDerWaalsContact CH2-CB 3.44Å; W215-E595 HydrophobicContact CH2-CG 3.67Å; W215-E595 HydrophobicContact CZ2-CB 3.57Å; W215-E595 HydrophobicContact CZ2-CG 3.25Å; W215-E595 WeakPolarHBondContact CZ2-OE1 3.18Å; W215-E595 HydrophobicContact CZ3-CB 4.26Å; W215-E595 HydrophobicContact CZ3-CG 4.48Å; W215-E595 PolarHBondContact NE1-OE1 3.44Å; W215-A598 HydrophobicContact CE3-CB 4.13Å; W215-A598 HydrophobicContact CZ3-CB 3.93Å; W215-L599 HydrophobicContact CZ3-CB 4.34Å
216	K	94.9	Very high	95.4	Very high	96 Å²	96	10.5 Å²	10.5	42%	0.417	5%	0.048	S	C	.	.	H	α-helix	trans	-61.5	-41.9	169.9	-176.9	-172.2	169.3	-163.3	0	111.9	L212 T213 V214 P220 E706	L212-K216 WeakPolarHBondContact O-CB 3.35Å; L212-K216 PolarHBondContact O-N 3.3Å; T213-K216 PolarHBondContact O-N 3.49Å; V214-K216 VanDerWaalsContact C-N 3.34Å; V214-K216 PolarHBondContact O-N 3.27Å; K216-P220 WeakPolarHBondContact O-CA 3.29Å; K216-P220 VanDerWaalsContact O-CD 3.25Å; K216-P220 WeakPolarHBondContact O-CD 3.34Å; K216-P220 VanDerWaalsContact O-CG 3.29Å; K216-P220 WeakPolarHBondContact O-CG 3.41Å; K216-E706 VanDerWaalsContact CE-OE1 3.25Å; K216-E706 WeakPolarHBondContact CE-OE1 2.88Å; K216-E706 WeakPolarHBondContact CE-OE2 3.27Å; K216-E706 IonicContact NZ-OE2 3.92Å
217	R	93.1	Very high	95.7	Very high	39 Å²	39	14.4 Å²	14.4	15%	0.147	7%	0.066	C	C	.	.	H	α-helix	trans	-73.4	-44	-179.7	-73.6	177.5	-175.1	162	4.2	112.9	Q207 S209 T213 V214 W215 P705 E706	Q207-R217 PolarHBondContact O-NH1 2.95Å; S209-R217 PolarHBondContact OG-NH1 2.99Å; T213-R217 HydrophobicContact CG2-CG 4.42Å; T213-R217 WeakPolarHBondContact O-CB 3Å; T213-R217 WeakPolarHBondContact O-CG 3.46Å; T213-R217 PolarHBondContact O-N 3.14Å; V214-R217 PolarHBondContact O-N 3.49Å; V214-R217 VanDerWaalsContact O-N 3.12Å; W215-R217 VanDerWaalsContact C-N 3.35Å; R217-P705 CarbonylContact O-C 3.27Å; R217-P705 WeakPolarHBondContact O-CA 3.33Å; R217-P705 WeakPolarHBondContact O-CB 3.18Å; R217-E706 HydrophobicContact CB-CB 4.48Å; R217-E706 HydrophobicContact CG-CB 4.31Å; R217-E706 PolarHBondContact O-N 3.2Å
218	I	94.6	Very high	95.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.8	-48.3	-178.1	-71.1	-63.6	0	0	0	111	L203 Q207 V214 W215 L599 Y603 P705	L203-I218 HydrophobicContact CD1-CD1 3.74Å; L203-I218 HydrophobicContact CD1-CG1 4.02Å; Q207-I218 HydrophobicContact CG-CD1 4.25Å; V214-I218 HydrophobicContact CG1-CG1 4.16Å; V214-I218 WeakPolarHBondContact O-CB 3.33Å; V214-I218 WeakPolarHBondContact O-CG1 3.15Å; V214-I218 PolarHBondContact O-N 3.34Å; W215-I218 HydrophobicContact CE3-CB 4.45Å; W215-I218 HydrophobicContact CE3-CG2 4.36Å; W215-I218 HydrophobicContact CZ3-CG2 4.24Å; I218-L599 HydrophobicContact CD1-CD1 4Å; I218-L599 HydrophobicContact CG1-CD1 4.45Å; I218-L599 HydrophobicContact CG2-CD1 3.91Å; I218-Y603 HydrophobicContact CB-CD2 4.49Å; I218-Y603 HydrophobicContact CD1-CD1 4.39Å; I218-Y603 HydrophobicContact CD1-CD2 3.7Å; I218-Y603 HydrophobicContact CD1-CE1 4.36Å; I218-Y603 HydrophobicContact CD1-CE2 3.7Å; I218-Y603 HydrophobicContact CD1-CG 4.09Å; I218-Y603 HydrophobicContact CG2-CD2 4.12Å; I218-Y603 HydrophobicContact CG2-CG 4.05Å; I218-P705 WeakPolarHBondContact O-CG 3.15Å
219	C	95.9	Very high	96.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.063	C	C	.	.			trans	-153.5	98.4	177.4	-175	0	0	0	0	108.9	W215 L221 F222 A598	W215-C219 CarbonylContact O-C 3.34Å; W215-C219 PolarHBondContact O-N 3.07Å; W215-C219 VanDerWaalsContact O-N 3.12Å; C219-L221 PolarHBondContact O-N 3.44Å; C219-F222 HydrophobicContact CB-CB 4.32Å; C219-F222 HydrophobicContact CB-CD2 4.44Å; C219-F222 WeakPolarHBondContact O-CA 3.2Å; C219-F222 PolarHBondContact O-N 3.24Å; C219-A598 HydrophobicContact CB-CB 4.38Å
220	P	95.7	Very high	96.5	Very high	6 Å²	6	14.6 Å²	14.6	4%	0.039	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-49.5	-32.5	-178.9	-29.3	31.3	0	0	0	114.4	K216 F222 S223 K687 L702 T704 E706	K216-P220 WeakPolarHBondContact O-CA 3.29Å; K216-P220 VanDerWaalsContact O-CD 3.25Å; K216-P220 WeakPolarHBondContact O-CD 3.34Å; K216-P220 VanDerWaalsContact O-CG 3.29Å; K216-P220 WeakPolarHBondContact O-CG 3.41Å; P220-F222 VanDerWaalsContact C-N 3.26Å; P220-F222 PolarHBondContact O-N 3.03Å; P220-S223 PolarHBondContact O-N 2.86Å; P220-S223 PolarHBondContact O-OG 2.84Å; P220-K687 WeakPolarHBondContact O-CD 3.14Å; P220-K687 WeakPolarHBondContact O-CE 3.45Å; P220-K687 PolarHBondContact O-NZ 2.71Å; P220-L702 HydrophobicContact CB-CD2 4.09Å; P220-L702 WeakPolarHBondContact CB-O 3.19Å; P220-L702 WeakPolarHBondContact CD-O 3.41Å; P220-T704 WeakPolarHBondContact CD-O 3.5Å; P220-E706 HydrophobicContact CG-CG 4.03Å
221	L	96.1	Very high	96.6	Very high	7 Å²	7	16.8 Å²	16.8	4%	0.037	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-59.8	-33.7	175.3	-165.2	68.7	0	0	0	113.1	C219 M684 L688 L699 L702 I703	C219-L221 PolarHBondContact O-N 3.44Å; L221-M684 HydrophobicContact CD1-CB 4.44Å; L221-M684 HydrophobicContact CD1-CG 3.57Å; L221-M684 HydrophobicContact CD2-CE 4.42Å; L221-M684 HydrophobicContact CD2-CG 4.45Å; L221-M684 HydrophobicContact CG-CE 4.18Å; L221-M684 HydrophobicContact CG-CG 3.81Å; L221-M684 HydrophobicContact CG-SD 4.4Å; L221-L688 HydrophobicContact CD1-CD1 4.14Å; L221-L688 HydrophobicContact CD1-CD2 4.29Å; L221-L688 HydrophobicContact CD1-CG 3.96Å; L221-L699 HydrophobicContact CD2-CD1 4.04Å; L221-L702 HydrophobicContact CB-CB 4.13Å; L221-L702 HydrophobicContact CD1-CB 4.08Å; L221-L702 HydrophobicContact CD1-CD1 4.02Å; L221-L702 PolarHBondContact N-O 3.09Å; L221-I703 HydrophobicContact CD2-CG2 4.05Å
222	F	97.3	Very high	96.6	Very high	15 Å²	15	16.7 Å²	16.7	7%	0.066	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-98.5	17.2	-179	-80.1	-97.4	0	0	0	113.5	C219 P220 G224 V225 C594 V597 A598 F602 I680 M684	C219-F222 HydrophobicContact CB-CB 4.32Å; C219-F222 HydrophobicContact CB-CD2 4.44Å; C219-F222 WeakPolarHBondContact O-CA 3.2Å; C219-F222 PolarHBondContact O-N 3.24Å; P220-F222 VanDerWaalsContact C-N 3.26Å; P220-F222 PolarHBondContact O-N 3.03Å; F222-G224 PolarHBondContact O-N 2.89Å; F222-V225 HydrophobicContact CB-CG2 4.23Å; F222-V225 HydrophobicContact CD1-CG2 4.16Å; F222-V225 WeakPolarHBondContact O-CB 2.92Å; F222-V225 VanDerWaalsContact O-CG2 3.27Å; F222-V225 WeakPolarHBondContact O-CG2 3.28Å; F222-V225 PolarHBondContact O-N 3.28Å; F222-C594 HydrophobicContact CD1-CB 4.2Å; F222-C594 HydrophobicContact CE1-CB 4.17Å; F222-V597 HydrophobicContact CE1-CG1 4.28Å; F222-V597 HydrophobicContact CZ-CG1 3.83Å; F222-A598 HydrophobicContact CB-CB 3.79Å; F222-A598 HydrophobicContact CD1-CB 4.03Å; F222-A598 HydrophobicContact CD2-CB 4.16Å; F222-A598 HydrophobicContact CG-CB 3.73Å; F222-F602 HydrophobicContact CD2-CD2 4.4Å; F222-F602 AromaticContact CE2-CD2 3.74Å; F222-F602 HydrophobicContact CE2-CD2 3.74Å; F222-F602 AromaticContact CE2-CE2 3.46Å; F222-F602 HydrophobicContact CE2-CE2 3.46Å; F222-F602 VanDerWaalsContact CE2-CE2 3.46Å; F222-F602 HydrophobicContact CE2-CZ 4.1Å; F222-F602 HydrophobicContact CZ-CD2 4.35Å; F222-F602 AromaticContact CZ-CE2 3.86Å; F222-F602 HydrophobicContact CZ-CE2 3.86Å; F222-I680 HydrophobicContact CD1-CG2 4.35Å; F222-M684 HydrophobicContact CE1-CE 4.41Å; F222-M684 HydrophobicContact CE2-CE 4.24Å; F222-M684 HydrophobicContact CZ-CE 4.14Å
223	S	96.3	Very high	96.6	Very high	6 Å²	6	16 Å²	16	4%	0.042	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.6	-179.8	65.8	0	0	0	0	114.6	P220 V225 G226 K687	P220-S223 PolarHBondContact O-N 2.86Å; P220-S223 PolarHBondContact O-OG 2.84Å; S223-V225 PolarHBondContact O-N 2.91Å; S223-G226 PolarHBondContact O-N 3.39Å; S223-K687 VanDerWaalsContact CB-NZ 3.25Å; S223-K687 WeakPolarHBondContact OG-CE 3.2Å; S223-K687 PolarHBondContact OG-NZ 2.99Å
224	G	97.8	Very high	96.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-64.8	-20.7	174.7	0	0	0	0	0	114.4	F222 G226 F227 G228	F222-G224 PolarHBondContact O-N 2.89Å; G224-G226 VanDerWaalsContact C-N 3.34Å; G224-G226 PolarHBondContact O-N 3.34Å; G224-F227 PolarHBondContact O-N 3.05Å; G224-G228 PolarHBondContact O-N 2.72Å
225	V	98.2	Very high	96.8	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-56.6	-48.7	175.2	171.8	0	0	0	0	110.4	W215 F222 S223 F227 G228 I229 I591 C594 E595 I680	W215-V225 HydrophobicContact CB-CB 4.25Å; W215-V225 VanDerWaalsContact CD1-CG1 3.46Å; W215-V225 HydrophobicContact CD2-CB 4.28Å; W215-V225 HydrophobicContact CD2-CG1 3.83Å; W215-V225 HydrophobicContact CG-CB 3.9Å; W215-V225 HydrophobicContact CG-CG1 3.74Å; W215-V225 HydrophobicContact CZ2-CG1 4.5Å; F222-V225 HydrophobicContact CB-CG2 4.23Å; F222-V225 HydrophobicContact CD1-CG2 4.16Å; F222-V225 WeakPolarHBondContact O-CB 2.92Å; F222-V225 VanDerWaalsContact O-CG2 3.27Å; F222-V225 WeakPolarHBondContact O-CG2 3.28Å; F222-V225 PolarHBondContact O-N 3.28Å; S223-V225 PolarHBondContact O-N 2.91Å; V225-F227 VanDerWaalsContact C-N 3.3Å; V225-F227 PolarHBondContact O-N 3.28Å; V225-G228 PolarHBondContact O-N 2.86Å; V225-I229 HydrophobicContact CG1-CD1 3.91Å; V225-I229 VanDerWaalsContact O-CG1 3.29Å; V225-I229 WeakPolarHBondContact O-CG1 2.96Å; V225-I229 PolarHBondContact O-N 2.87Å; V225-I591 HydrophobicContact CG1-CG2 4.07Å; V225-C594 HydrophobicContact CG2-CB 3.96Å; V225-E595 HydrophobicContact CG1-CG 3.6Å; V225-I680 HydrophobicContact CG2-CD1 3.83Å; V225-I680 HydrophobicContact CG2-CG1 4.04Å
226	G	98	Very high	96.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.3	-37.9	178.3	0	0	0	0	0	113.8	L212 S223 G224 I229 C230	L212-G226 VanDerWaalsContact CD2-C 3.46Å; S223-G226 PolarHBondContact O-N 3.39Å; G224-G226 VanDerWaalsContact C-N 3.34Å; G224-G226 PolarHBondContact O-N 3.34Å; G226-I229 PolarHBondContact O-N 3.41Å; G226-C230 PolarHBondContact O-N 2.93Å; G226-C230 PolarHBondContact O-SG 2.91Å; G226-C230 VanDerWaalsContact O-SG 3.42Å
227	F	98	Very high	96.9	Very high	87 Å²	87	14.1 Å²	14.1	38%	0.382	7%	0.071	S	C	.	.	H	α-helix	trans	-68.7	-43.9	176.8	-73.8	-86.6	0	0	0	111.5	L212 G224 V225 I229 C230 I231 F679 L683	L212-F227 HydrophobicContact CD2-CB 4.24Å; L212-F227 HydrophobicContact CD2-CD1 3.71Å; L212-F227 HydrophobicContact CD2-CD2 3.48Å; L212-F227 VanDerWaalsContact CD2-CD2 3.48Å; L212-F227 HydrophobicContact CD2-CE1 3.83Å; L212-F227 HydrophobicContact CD2-CE2 3.62Å; L212-F227 HydrophobicContact CD2-CG 3.53Å; L212-F227 HydrophobicContact CD2-CZ 3.79Å; G224-F227 PolarHBondContact O-N 3.05Å; V225-F227 VanDerWaalsContact C-N 3.3Å; V225-F227 PolarHBondContact O-N 3.28Å; F227-I229 VanDerWaalsContact C-N 3.28Å; F227-I229 PolarHBondContact O-N 3.47Å; F227-C230 PolarHBondContact O-N 3.43Å; F227-C230 VanDerWaalsContact O-N 3.17Å; F227-I231 WeakPolarHBondContact O-CG1 3.47Å; F227-I231 PolarHBondContact O-N 2.9Å; F227-I231 VanDerWaalsContact O-N 3.1Å; F227-F679 HydrophobicContact CB-CB 3.94Å; F227-F679 HydrophobicContact CB-CD1 3.7Å; F227-F679 HydrophobicContact CB-CD2 4.34Å; F227-F679 HydrophobicContact CB-CE1 4.29Å; F227-F679 HydrophobicContact CB-CG 3.73Å; F227-F679 HydrophobicContact CD1-CD1 4.44Å; F227-F679 HydrophobicContact CD1-CE1 4.4Å; F227-F679 HydrophobicContact CG-CD1 4.08Å; F227-F679 HydrophobicContact CG-CE1 4.49Å; F227-L683 HydrophobicContact CD2-CD1 3.55Å; F227-L683 HydrophobicContact CE2-CD1 3.67Å; F227-L683 HydrophobicContact CG-CD1 4.44Å
228	G	98.1	Very high	97.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-57	-42.9	175.3	0	0	0	0	0	112	G224 V225 C230 I231 I232 I591 S676	G224-G228 PolarHBondContact O-N 2.72Å; V225-G228 PolarHBondContact O-N 2.86Å; G228-C230 PolarHBondContact O-N 2.81Å; G228-I231 PolarHBondContact O-N 3.5Å; G228-I232 WeakPolarHBondContact O-CG1 3.32Å; G228-I232 PolarHBondContact O-N 2.88Å; G228-I591 VanDerWaalsContact C-CD1 3.44Å; G228-S676 WeakPolarHBondContact CA-O 3.45Å; G228-S676 WeakPolarHBondContact O-CB 3.36Å
229	I	97.9	Very high	97.1	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-58.4	-46.3	175.6	-67	165.6	0	0	0	111.6	C211 V225 G226 F227 I231 I232 A233 F430 I591 E595	C211-I229 HydrophobicContact CB-CB 4.44Å; C211-I229 HydrophobicContact CB-CD1 3.83Å; C211-I229 HydrophobicContact CB-CG2 4.22Å; V225-I229 HydrophobicContact CG1-CD1 3.91Å; V225-I229 VanDerWaalsContact O-CG1 3.29Å; V225-I229 WeakPolarHBondContact O-CG1 2.96Å; V225-I229 PolarHBondContact O-N 2.87Å; G226-I229 PolarHBondContact O-N 3.41Å; F227-I229 VanDerWaalsContact C-N 3.28Å; F227-I229 PolarHBondContact O-N 3.47Å; I229-I231 VanDerWaalsContact C-N 3.32Å; I229-I231 PolarHBondContact O-N 3.4Å; I229-I232 PolarHBondContact O-N 2.95Å; I229-A233 WeakPolarHBondContact O-CB 3.4Å; I229-A233 PolarHBondContact O-N 3.11Å; I229-F430 VanDerWaalsContact CG2-C 3.49Å; I229-F430 WeakPolarHBondContact CG2-O 3.48Å; I229-I591 HydrophobicContact CD1-CG2 4.26Å; I229-I591 HydrophobicContact CG1-CG2 3.74Å; I229-E595 WeakPolarHBondContact CD1-OE1 3.44Å
230	C	98.3	Very high	97	Very high	17 Å²	17	16.6 Å²	16.6	12%	0.115	8%	0.08	C	C	.	.	H	α-helix	trans	-63.3	-36.3	178.3	-67.7	0	0	0	0	113	G226 F227 G228 S234	G226-C230 PolarHBondContact O-N 2.93Å; G226-C230 PolarHBondContact O-SG 2.91Å; G226-C230 VanDerWaalsContact O-SG 3.42Å; F227-C230 PolarHBondContact O-N 3.43Å; F227-C230 VanDerWaalsContact O-N 3.17Å; G228-C230 PolarHBondContact O-N 2.81Å; C230-S234 WeakPolarHBondContact O-CB 3.33Å; C230-S234 PolarHBondContact O-N 2.94Å; C230-S234 PolarHBondContact O-OG 2.98Å
231	I	97.7	Very high	97.1	Very high	45 Å²	45	16.3 Å²	16.3	23%	0.231	8%	0.078	C	C	.	.	H	α-helix	trans	-68.4	-44.5	176.3	-64	-58.7	0	0	0	110.8	F227 G228 I229 S234 Y235 F679	F227-I231 WeakPolarHBondContact O-CG1 3.47Å; F227-I231 PolarHBondContact O-N 2.9Å; F227-I231 VanDerWaalsContact O-N 3.1Å; G228-I231 PolarHBondContact O-N 3.5Å; I229-I231 VanDerWaalsContact C-N 3.32Å; I229-I231 PolarHBondContact O-N 3.4Å; I231-S234 WeakPolarHBondContact O-CB 3.33Å; I231-S234 PolarHBondContact O-N 3.37Å; I231-S234 VanDerWaalsContact O-N 3.14Å; I231-Y235 HydrophobicContact CG2-CD2 3.98Å; I231-Y235 HydrophobicContact CG2-CE2 3.46Å; I231-Y235 VanDerWaalsContact CG2-CE2 3.46Å; I231-Y235 WeakPolarHBondContact O-CD2 3.49Å; I231-Y235 PolarHBondContact O-N 3.27Å; I231-F679 HydrophobicContact CG1-CE2 4.02Å
232	I	96.7	Very high	97.2	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.5	-49.8	175.9	-71.7	-179.6	0	0	0	110.9	G228 I229 S234 Y235 T236 F430 A584 I588 I591 S676	G228-I232 WeakPolarHBondContact O-CG1 3.32Å; G228-I232 PolarHBondContact O-N 2.88Å; I229-I232 PolarHBondContact O-N 2.95Å; I232-S234 PolarHBondContact O-N 3.08Å; I232-Y235 PolarHBondContact O-N 3.42Å; I232-Y235 VanDerWaalsContact O-N 3.13Å; I232-T236 PolarHBondContact O-N 3.27Å; I232-T236 PolarHBondContact O-OG1 3.28Å; I232-F430 HydrophobicContact CG2-CD1 4.28Å; I232-F430 HydrophobicContact CG2-CE1 4.29Å; I232-A584 HydrophobicContact CG2-CB 3.75Å; I232-I588 HydrophobicContact CD1-CB 4.49Å; I232-I588 HydrophobicContact CD1-CG1 3.62Å; I232-I588 HydrophobicContact CG2-CD1 3.67Å; I232-I588 HydrophobicContact CG2-CG1 3.62Å; I232-I591 HydrophobicContact CD1-CD1 3.45Å; I232-I591 VanDerWaalsContact CD1-CD1 3.45Å; I232-I591 HydrophobicContact CD1-CG1 4.32Å; I232-I591 HydrophobicContact CG1-CD1 4.4Å; I232-S676 WeakPolarHBondContact CG1-OG 3.36Å
233	A	97	Very high	97.1	Very high	3 Å²	3	15.7 Å²	15.7	3%	0.025	8%	0.076	C	C	.	.	H	α-helix	trans	-59.7	-32.4	177.1	0	0	0	0	0	112.2	I229 A237 I534	I229-A233 WeakPolarHBondContact O-CB 3.4Å; I229-A233 PolarHBondContact O-N 3.11Å; A233-A237 WeakPolarHBondContact O-CB 3.43Å; A233-A237 PolarHBondContact O-N 2.95Å; A233-I534 HydrophobicContact CB-CD1 3.72Å; A233-I534 HydrophobicContact CB-CG1 3.68Å
234	S	97.7	Very high	97.2	Very high	7 Å²	7	15.4 Å²	15.4	5%	0.049	7%	0.074	C	C	.	.	H	α-helix	trans	-66.8	-47.5	174	-60.4	0	0	0	0	111.8	C230 I231 I232 T236 A237 W238 Y559	C230-S234 WeakPolarHBondContact O-CB 3.33Å; C230-S234 PolarHBondContact O-N 2.94Å; C230-S234 PolarHBondContact O-OG 2.98Å; I231-S234 WeakPolarHBondContact O-CB 3.33Å; I231-S234 PolarHBondContact O-N 3.37Å; I231-S234 VanDerWaalsContact O-N 3.14Å; I232-S234 PolarHBondContact O-N 3.08Å; S234-T236 PolarHBondContact O-N 3.25Å; S234-A237 WeakPolarHBondContact O-CB 3.42Å; S234-A237 PolarHBondContact O-N 2.93Å; S234-W238 PolarHBondContact O-N 3.38Å; S234-Y559 WeakPolarHBondContact CB-OH 3.28Å; S234-Y559 PolarHBondContact OG-OH 3.27Å
235	Y	97.1	Very high	97.3	Very high	28 Å²	28	15.4 Å²	15.4	11%	0.11	7%	0.074	C	C	.	.	H	α-helix	trans	-59.7	-46.8	176.4	-70	-48.7	0	0	0	111.5	I231 I232 A237 W238 Y239 L579 G583 I672 S675	I231-Y235 HydrophobicContact CG2-CD2 3.98Å; I231-Y235 HydrophobicContact CG2-CE2 3.46Å; I231-Y235 VanDerWaalsContact CG2-CE2 3.46Å; I231-Y235 WeakPolarHBondContact O-CD2 3.49Å; I231-Y235 PolarHBondContact O-N 3.27Å; I232-Y235 PolarHBondContact O-N 3.42Å; I232-Y235 VanDerWaalsContact O-N 3.13Å; Y235-A237 VanDerWaalsContact C-N 3.31Å; Y235-A237 PolarHBondContact O-N 3.03Å; Y235-W238 AromaticContact CD1-CE3 3.64Å; Y235-W238 HydrophobicContact CD1-CE3 3.64Å; Y235-W238 HydrophobicContact CD1-CH2 4.36Å; Y235-W238 AromaticContact CD1-CZ3 3.55Å; Y235-W238 HydrophobicContact CD1-CZ3 3.55Å; Y235-W238 HydrophobicContact CE1-CE3 4.08Å; Y235-W238 HydrophobicContact CE1-CH2 4.17Å; Y235-W238 AromaticContact CE1-CZ3 3.5Å; Y235-W238 HydrophobicContact CE1-CZ3 3.5Å; Y235-W238 VanDerWaalsContact CE1-CZ3 3.5Å; Y235-W238 PolarHBondContact O-N 3.31Å; Y235-W238 VanDerWaalsContact O-N 3.09Å; Y235-Y239 WeakPolarHBondContact O-CD1 3.47Å; Y235-Y239 PolarHBondContact O-N 2.88Å; Y235-L579 HydrophobicContact CD1-CD2 3.93Å; Y235-L579 HydrophobicContact CE1-CD2 4.4Å; Y235-G583 WeakPolarHBondContact CD2-O 3.42Å; Y235-I672 HydrophobicContact CD2-CG2 4.36Å; Y235-I672 HydrophobicContact CE1-CG2 4.26Å; Y235-I672 HydrophobicContact CE2-CG2 3.93Å; Y235-S675 VanDerWaalsContact CE2-OG 3.28Å; Y235-S675 WeakPolarHBondContact CE2-OG 3.41Å; Y235-S675 PolarHBondContact OH-OG 2.91Å
236	T	95.6	Very high	97.2	Very high	28 Å²	28	15.5 Å²	15.5	17%	0.172	7%	0.074	C	C	.	.	H	α-helix	trans	-57.3	-45	175.1	-56.7	0	0	0	0	111.2	I232 S234 W238 Y240 F430	I232-T236 PolarHBondContact O-N 3.27Å; I232-T236 PolarHBondContact O-OG1 3.28Å; S234-T236 PolarHBondContact O-N 3.25Å; T236-W238 VanDerWaalsContact C-N 3.28Å; T236-W238 PolarHBondContact O-N 3.37Å; T236-Y240 WeakPolarHBondContact O-CB 3.35Å; T236-Y240 PolarHBondContact O-N 3.08Å; T236-F430 HydrophobicContact CG2-CE1 4.45Å
237	A	97.6	Very high	97.2	Very high	8 Å²	8	15.5 Å²	15.5	7%	0.066	7%	0.074	C	C	.	.	H	α-helix	trans	-59.9	-36.6	176.5	0	0	0	0	0	113	A233 S234 Y235 N241 L531 C560	A233-A237 WeakPolarHBondContact O-CB 3.43Å; A233-A237 PolarHBondContact O-N 2.95Å; S234-A237 WeakPolarHBondContact O-CB 3.42Å; S234-A237 PolarHBondContact O-N 2.93Å; Y235-A237 VanDerWaalsContact C-N 3.31Å; Y235-A237 PolarHBondContact O-N 3.03Å; A237-N241 WeakPolarHBondContact O-CB 3.21Å; A237-N241 PolarHBondContact O-ND2 2.74Å; A237-L531 HydrophobicContact CB-CD2 3.73Å; A237-C560 HydrophobicContact CB-CB 4.3Å
238	W	96.9	Very high	97.3	Very high	50 Å²	50	12.5 Å²	12.5	19%	0.189	6%	0.062	C	C	.	.	H	α-helix	trans	-69.4	-46.5	-177.8	-62.3	-11.9	0	0	0	113.4	S234 Y235 T236 T242 Y559 A564	S234-W238 PolarHBondContact O-N 3.38Å; Y235-W238 AromaticContact CD1-CE3 3.64Å; Y235-W238 HydrophobicContact CD1-CE3 3.64Å; Y235-W238 HydrophobicContact CD1-CH2 4.36Å; Y235-W238 AromaticContact CD1-CZ3 3.55Å; Y235-W238 HydrophobicContact CD1-CZ3 3.55Å; Y235-W238 HydrophobicContact CE1-CE3 4.08Å; Y235-W238 HydrophobicContact CE1-CH2 4.17Å; Y235-W238 AromaticContact CE1-CZ3 3.5Å; Y235-W238 HydrophobicContact CE1-CZ3 3.5Å; Y235-W238 VanDerWaalsContact CE1-CZ3 3.5Å; Y235-W238 PolarHBondContact O-N 3.31Å; Y235-W238 VanDerWaalsContact O-N 3.09Å; T236-W238 VanDerWaalsContact C-N 3.28Å; T236-W238 PolarHBondContact O-N 3.37Å; W238-T242 PolarHBondContact O-OG1 3.46Å; W238-Y559 HydrophobicContact CZ2-CE1 4.5Å; W238-Y559 HydrophobicContact CZ2-CE2 4.04Å; W238-Y559 AromaticContact CZ2-CZ 3.72Å; W238-Y559 WeakPolarHBondContact CZ2-OH 3.15Å; W238-A564 WeakPolarHBondContact O-CA 3.17Å; W238-A564 WeakPolarHBondContact O-CB 3.27Å
239	Y	94.7	Very high	97.3	Very high	19 Å²	19	13 Å²	13	8%	0.075	6%	0.064	C	C	.	.	H	α-helix	trans	-89.2	-38.3	-176.2	82.5	-99.4	0	0	0	112.5	Y235 N241 T242 I243 L576 L579 D580	Y235-Y239 WeakPolarHBondContact O-CD1 3.47Å; Y235-Y239 PolarHBondContact O-N 2.88Å; Y239-N241 PolarHBondContact O-N 3.44Å; Y239-T242 VanDerWaalsContact O-CB 3.32Å; Y239-T242 WeakPolarHBondContact O-CB 3.41Å; Y239-T242 PolarHBondContact O-N 3.29Å; Y239-T242 VanDerWaalsContact O-N 3.12Å; Y239-I243 HydrophobicContact CD2-CD1 4.33Å; Y239-I243 HydrophobicContact CE2-CD1 4.48Å; Y239-I243 PolarHBondContact O-N 3.02Å; Y239-L576 HydrophobicContact CD2-CG 4.42Å; Y239-L579 HydrophobicContact CD1-CB 4.02Å; Y239-L579 HydrophobicContact CG-CB 4.24Å; Y239-D580 HydrophobicContact CD2-CB 3.97Å; Y239-D580 HydrophobicContact CE2-CB 3.7Å; Y239-D580 WeakPolarHBondContact CE2-OD1 3.43Å; Y239-D580 HydrophobicContact CG-CB 4.49Å; Y239-D580 PolarHBondContact OH-OD1 3.4Å
240	Y	95	Very high	97.3	Very high	22 Å²	22	13 Å²	13	9%	0.086	6%	0.064	C	C	.	.	H	α-helix	trans	-67.7	-36.4	-173.2	-165.9	-105.4	0	0	0	112	L163 T236 T242 I243 I244 G523 S526	L163-Y240 HydrophobicContact CB-CE2 4.41Å; L163-Y240 HydrophobicContact CD1-CE1 4.49Å; L163-Y240 HydrophobicContact CD1-CE2 3.82Å; L163-Y240 HydrophobicContact CG-CE2 4.39Å; L163-Y240 WeakPolarHBondContact CG-OH 3.39Å; L163-Y240 PolarHBondContact N-OH 2.86Å; T236-Y240 WeakPolarHBondContact O-CB 3.35Å; T236-Y240 PolarHBondContact O-N 3.08Å; Y240-T242 PolarHBondContact O-N 3.21Å; Y240-I243 HydrophobicContact CD2-CD1 4.45Å; Y240-I243 VanDerWaalsContact O-CB 3.3Å; Y240-I243 WeakPolarHBondContact O-CB 3.23Å; Y240-I243 PolarHBondContact O-N 3.44Å; Y240-I243 VanDerWaalsContact O-N 3.11Å; Y240-I244 HydrophobicContact CD1-CD1 4.24Å; Y240-I244 HydrophobicContact CE1-CD1 4.4Å; Y240-I244 PolarHBondContact O-N 3.28Å; Y240-G523 WeakPolarHBondContact CE1-O 3.43Å; Y240-S526 PolarHBondContact OH-OG 3.02Å
241	N	97.8	Very high	97.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-68	-23.3	176	-76.2	-79.2	0	0	0	113.4	A237 Y239 I243 I244 A245 L348 F352 T527	A237-N241 WeakPolarHBondContact O-CB 3.21Å; A237-N241 PolarHBondContact O-ND2 2.74Å; Y239-N241 PolarHBondContact O-N 3.44Å; N241-I243 VanDerWaalsContact C-N 3.34Å; N241-I244 PolarHBondContact O-N 2.82Å; N241-A245 PolarHBondContact O-N 3.33Å; N241-L348 HydrophobicContact CB-CD1 3.82Å; N241-L348 WeakPolarHBondContact O-CD1 3.5Å; N241-F352 HydrophobicContact CB-CE1 4.41Å; N241-F352 HydrophobicContact CB-CE2 3.91Å; N241-F352 HydrophobicContact CB-CZ 3.72Å; N241-T527 WeakPolarHBondContact OD1-CG2 3.39Å; N241-T527 PolarHBondContact OD1-OG1 2.99Å
242	T	97.5	Very high	97.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-68.7	-36.4	172.4	-59.9	0	0	0	0	111.2	W238 Y239 Y240 I244 A245 W246 S567 T568 L576	W238-T242 PolarHBondContact O-OG1 3.46Å; Y239-T242 VanDerWaalsContact O-CB 3.32Å; Y239-T242 WeakPolarHBondContact O-CB 3.41Å; Y239-T242 PolarHBondContact O-N 3.29Å; Y239-T242 VanDerWaalsContact O-N 3.12Å; Y240-T242 PolarHBondContact O-N 3.21Å; T242-I244 VanDerWaalsContact C-N 3.35Å; T242-A245 WeakPolarHBondContact O-CB 3.32Å; T242-A245 PolarHBondContact O-N 3.21Å; T242-W246 HydrophobicContact CG2-CZ2 3.87Å; T242-W246 PolarHBondContact O-N 3.33Å; T242-S567 WeakPolarHBondContact CG2-O 3.08Å; T242-S567 WeakPolarHBondContact OG1-CB 3.13Å; T242-T568 HydrophobicContact CG2-CG2 4.24Å; T242-L576 HydrophobicContact CG2-CD1 4.02Å
243	I	96.2	Very high	97.3	Very high	8 Å²	8	16 Å²	16	4%	0.041	8%	0.078	C	C	.	.	H	α-helix	trans	-62.4	-43.9	174.1	-61.8	178.3	0	0	0	110.5	L163 W167 Y239 Y240 N241 A245 W246 A247 F495 L576	L163-I243 HydrophobicContact CD1-CG2 3.74Å; W167-I243 HydrophobicContact CH2-CG2 3.55Å; W167-I243 HydrophobicContact CZ2-CG2 4.42Å; W167-I243 HydrophobicContact CZ3-CG2 4.32Å; Y239-I243 HydrophobicContact CD2-CD1 4.33Å; Y239-I243 HydrophobicContact CE2-CD1 4.48Å; Y239-I243 PolarHBondContact O-N 3.02Å; Y240-I243 HydrophobicContact CD2-CD1 4.45Å; Y240-I243 VanDerWaalsContact O-CB 3.3Å; Y240-I243 WeakPolarHBondContact O-CB 3.23Å; Y240-I243 PolarHBondContact O-N 3.44Å; Y240-I243 VanDerWaalsContact O-N 3.11Å; N241-I243 VanDerWaalsContact C-N 3.34Å; I243-A245 VanDerWaalsContact C-N 3.29Å; I243-A245 PolarHBondContact O-N 3.16Å; I243-W246 HydrophobicContact CG1-CE3 4.47Å; I243-W246 HydrophobicContact CG1-CZ3 4.33Å; I243-W246 WeakPolarHBondContact O-CB 3.26Å; I243-W246 PolarHBondContact O-N 2.97Å; I243-A247 PolarHBondContact O-N 2.83Å; I243-F495 HydrophobicContact CG2-CE2 3.97Å; I243-F495 HydrophobicContact CG2-CZ 4.1Å; I243-L576 HydrophobicContact CG1-CD1 3.86Å
244	I	97.9	Very high	97.3	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-62.2	-39.8	175.3	-53.6	173.2	0	0	0	110.3	Y240 N241 T242 W246 A247 L248 V351 I520 G523	Y240-I244 HydrophobicContact CD1-CD1 4.24Å; Y240-I244 HydrophobicContact CE1-CD1 4.4Å; Y240-I244 PolarHBondContact O-N 3.28Å; N241-I244 PolarHBondContact O-N 2.82Å; T242-I244 VanDerWaalsContact C-N 3.35Å; I244-W246 VanDerWaalsContact C-N 3.34Å; I244-W246 PolarHBondContact O-N 3.44Å; I244-A247 PolarHBondContact O-N 3.21Å; I244-L248 PolarHBondContact O-N 2.9Å; I244-V351 HydrophobicContact CB-CG1 4.17Å; I244-V351 HydrophobicContact CB-CG2 4.21Å; I244-V351 HydrophobicContact CD1-CG1 4.36Å; I244-V351 HydrophobicContact CG2-CB 4.42Å; I244-V351 HydrophobicContact CG2-CG1 3.86Å; I244-V351 HydrophobicContact CG2-CG2 3.6Å; I244-I520 HydrophobicContact CG2-CB 4.45Å; I244-I520 HydrophobicContact CG2-CG1 4.44Å; I244-I520 HydrophobicContact CG2-CG2 4.1Å; I244-G523 WeakPolarHBondContact CD1-O 3.41Å
245	A	98.6	Very high	97.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.7	-37.7	175.9	0	0	0	0	0	112.5	N241 T242 I243 L248 F249 I344 C347 L348	N241-A245 PolarHBondContact O-N 3.33Å; T242-A245 WeakPolarHBondContact O-CB 3.32Å; T242-A245 PolarHBondContact O-N 3.21Å; I243-A245 VanDerWaalsContact C-N 3.29Å; I243-A245 PolarHBondContact O-N 3.16Å; A245-L248 PolarHBondContact O-N 3.22Å; A245-F249 WeakPolarHBondContact O-CB 3.23Å; A245-F249 PolarHBondContact O-N 3.19Å; A245-I344 HydrophobicContact CB-CG2 4.27Å; A245-C347 HydrophobicContact CB-CB 3.97Å; A245-C347 WeakPolarHBondContact O-CB 3.29Å; A245-L348 HydrophobicContact CB-CB 3.93Å; A245-L348 HydrophobicContact CB-CD1 4.23Å
246	W	98.1	Very high	96.9	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	12%	0.117	C	C	.	.	H	α-helix	trans	-63.7	-44.6	171.5	-61.8	-20.5	0	0	0	111.6	T242 I243 I244 L248 F249 Y250 F321 V325 L326 P491 F495 Y573 L576	T242-W246 HydrophobicContact CG2-CZ2 3.87Å; T242-W246 PolarHBondContact O-N 3.33Å; I243-W246 HydrophobicContact CG1-CE3 4.47Å; I243-W246 HydrophobicContact CG1-CZ3 4.33Å; I243-W246 WeakPolarHBondContact O-CB 3.26Å; I243-W246 PolarHBondContact O-N 2.97Å; I244-W246 VanDerWaalsContact C-N 3.34Å; I244-W246 PolarHBondContact O-N 3.44Å; W246-L248 VanDerWaalsContact C-N 3.32Å; W246-L248 PolarHBondContact O-N 3.5Å; W246-F249 WeakPolarHBondContact O-CB 3.34Å; W246-F249 PolarHBondContact O-N 2.87Å; W246-F249 VanDerWaalsContact O-N 3.13Å; W246-Y250 WeakPolarHBondContact O-CD2 3.2Å; W246-Y250 PolarHBondContact O-N 3.37Å; W246-F321 HydrophobicContact CD2-CE2 4.18Å; W246-F321 HydrophobicContact CD2-CZ 4.46Å; W246-F321 AromaticContact CE3-CE2 3.95Å; W246-F321 HydrophobicContact CE3-CE2 3.95Å; W246-F321 AromaticContact CE3-CZ 3.96Å; W246-F321 HydrophobicContact CE3-CZ 3.96Å; W246-F321 HydrophobicContact CH2-CZ 4.26Å; W246-F321 HydrophobicContact CZ3-CE2 4.33Å; W246-F321 AromaticContact CZ3-CZ 3.86Å; W246-F321 HydrophobicContact CZ3-CZ 3.86Å; W246-V325 HydrophobicContact CG-CG1 4.47Å; W246-L326 HydrophobicContact CH2-CD2 4.33Å; W246-L326 HydrophobicContact CZ2-CD2 3.51Å; W246-P491 HydrophobicContact CZ3-CB 4.1Å; W246-P491 HydrophobicContact CZ3-CG 4.42Å; W246-F495 HydrophobicContact CB-CD1 4.39Å; W246-F495 HydrophobicContact CB-CE1 3.85Å; W246-F495 HydrophobicContact CB-CE2 4.39Å; W246-F495 HydrophobicContact CB-CZ 3.85Å; W246-F495 HydrophobicContact CE3-CD2 4.09Å; W246-F495 AromaticContact CE3-CE2 3.85Å; W246-F495 HydrophobicContact CE3-CE2 3.85Å; W246-F495 HydrophobicContact CE3-CZ 4.41Å; W246-Y573 AromaticContact CH2-CD2 3.86Å; W246-Y573 HydrophobicContact CH2-CD2 3.86Å; W246-Y573 HydrophobicContact CZ3-CD2 4.48Å; W246-L576 HydrophobicContact CH2-CD1 3.45Å; W246-L576 VanDerWaalsContact CH2-CD1 3.45Å; W246-L576 HydrophobicContact CH2-CD2 4.1Å; W246-L576 HydrophobicContact CH2-CG 4.26Å; W246-L576 HydrophobicContact CZ2-CD1 3.94Å; W246-L576 HydrophobicContact CZ3-CD1 3.97Å; W246-L576 HydrophobicContact CZ3-CD2 4.44Å
247	A	97.9	Very high	96.5	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-60.2	-41.6	176.2	0	0	0	0	0	112.1	I243 I244 Y250 M251 F495 M516 L519 I520	I243-A247 PolarHBondContact O-N 2.83Å; I244-A247 PolarHBondContact O-N 3.21Å; A247-Y250 PolarHBondContact O-N 3.42Å; A247-M251 WeakPolarHBondContact O-CB 3.41Å; A247-M251 PolarHBondContact O-N 2.76Å; A247-F495 HydrophobicContact CB-CE1 4.11Å; A247-F495 HydrophobicContact CB-CZ 4.27Å; A247-M516 HydrophobicContact CB-SD 4.39Å; A247-L519 HydrophobicContact CB-CB 4.01Å; A247-L519 HydrophobicContact CB-CD1 4.38Å; A247-I520 HydrophobicContact CB-CD1 4.5Å; A247-I520 HydrophobicContact CB-CG1 3.74Å
248	L	98.5	Very high	96.1	Very high	23 Å²	23	35.6 Å²	35.6	12%	0.12	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-42.1	173.5	-179.9	56.5	0	0	0	112	I244 A245 W246 M251 I252 C347 A350 V351 I520	I244-L248 PolarHBondContact O-N 2.9Å; A245-L248 PolarHBondContact O-N 3.22Å; W246-L248 VanDerWaalsContact C-N 3.32Å; W246-L248 PolarHBondContact O-N 3.5Å; L248-M251 HydrophobicContact CD1-CE 3.56Å; L248-M251 PolarHBondContact O-N 2.93Å; L248-I252 HydrophobicContact CD1-CD1 4.1Å; L248-I252 HydrophobicContact CD1-CG1 4.3Å; L248-I252 HydrophobicContact CG-CD1 4.08Å; L248-I252 WeakPolarHBondContact O-CG1 3.35Å; L248-I252 PolarHBondContact O-N 3.48Å; L248-C347 HydrophobicContact CB-CB 4.32Å; L248-C347 HydrophobicContact CD2-CB 4.06Å; L248-C347 HydrophobicContact CG-CB 4.25Å; L248-A350 HydrophobicContact CD2-CB 3.87Å; L248-V351 HydrophobicContact CD2-CG2 4.11Å; L248-I520 HydrophobicContact CB-CD1 4.12Å; L248-I520 HydrophobicContact CD1-CD1 4.25Å
249	F	98.5	Very high	96	Very high	11 Å²	11	33.5 Å²	33.5	5%	0.048	17%	0.169	C	C	.	.	H	α-helix	trans	-60.5	-48.4	175.5	-175.5	-85.7	0	0	0	111.8	A245 W246 M251 I252 D253 Y320 V325 E343 I344	A245-F249 WeakPolarHBondContact O-CB 3.23Å; A245-F249 PolarHBondContact O-N 3.19Å; W246-F249 WeakPolarHBondContact O-CB 3.34Å; W246-F249 PolarHBondContact O-N 2.87Å; W246-F249 VanDerWaalsContact O-N 3.13Å; F249-M251 VanDerWaalsContact C-N 3.31Å; F249-M251 PolarHBondContact O-N 2.87Å; F249-I252 PolarHBondContact O-N 3.28Å; F249-D253 PolarHBondContact O-N 3.45Å; F249-Y320 WeakPolarHBondContact CE1-OH 3.43Å; F249-V325 HydrophobicContact CD1-CG1 4.18Å; F249-V325 HydrophobicContact CD1-CG2 3.92Å; F249-V325 HydrophobicContact CE1-CB 4.46Å; F249-V325 HydrophobicContact CE1-CG2 3.81Å; F249-E343 HydrophobicContact CD2-CB 4.11Å; F249-E343 HydrophobicContact CE2-CB 3.68Å; F249-E343 HydrophobicContact CE2-CG 4.33Å; F249-I344 HydrophobicContact CB-CD1 3.93Å; F249-I344 HydrophobicContact CD1-CD1 4.42Å; F249-I344 HydrophobicContact CD2-CD1 3.64Å; F249-I344 HydrophobicContact CE2-CD1 4.27Å; F249-I344 HydrophobicContact CG-CD1 3.73Å
250	Y	98.3	Very high	96	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.4	-40.6	175.5	-89.8	-106.9	0	0	0	111.9	W246 A247 D253 A254 W261 Y320 F321 V325 F495 P499 M516	W246-Y250 WeakPolarHBondContact O-CD2 3.2Å; W246-Y250 PolarHBondContact O-N 3.37Å; A247-Y250 PolarHBondContact O-N 3.42Å; Y250-D253 PolarHBondContact O-N 3.42Å; Y250-A254 VanDerWaalsContact O-CB 3.29Å; Y250-A254 WeakPolarHBondContact O-CB 3.27Å; Y250-A254 PolarHBondContact O-N 3.28Å; Y250-W261 AromaticContact CD1-CE3 3.97Å; Y250-W261 HydrophobicContact CD1-CE3 3.97Å; Y250-W261 AromaticContact CD1-CH2 3.8Å; Y250-W261 HydrophobicContact CD1-CH2 3.8Å; Y250-W261 HydrophobicContact CD1-CZ2 4.35Å; Y250-W261 AromaticContact CD1-CZ3 3.59Å; Y250-W261 HydrophobicContact CD1-CZ3 3.59Å; Y250-W261 HydrophobicContact CE1-CD2 4.42Å; Y250-W261 HydrophobicContact CE1-CE3 4.11Å; Y250-W261 HydrophobicContact CE1-CZ3 4.21Å; Y250-W261 HydrophobicContact CG-CZ3 4.33Å; Y250-Y320 AromaticContact CD1-CE1 3.83Å; Y250-Y320 HydrophobicContact CD1-CE1 3.83Å; Y250-Y320 HydrophobicContact CD2-CE1 4.2Å; Y250-Y320 AromaticContact CE1-CD1 3.71Å; Y250-Y320 HydrophobicContact CE1-CD1 3.71Å; Y250-Y320 AromaticContact CE1-CE1 3.41Å; Y250-Y320 HydrophobicContact CE1-CE1 3.41Å; Y250-Y320 VanDerWaalsContact CE1-CE1 3.41Å; Y250-Y320 HydrophobicContact CE2-CD1 4.34Å; Y250-Y320 AromaticContact CE2-CE1 3.8Å; Y250-Y320 HydrophobicContact CE2-CE1 3.8Å; Y250-Y320 HydrophobicContact CG-CE1 4.23Å; Y250-Y320 AromaticContact CZ-CD1 3.59Å; Y250-Y320 AromaticContact CZ-CE1 3.38Å; Y250-Y320 WeakPolarHBondContact OH-CD1 3.27Å; Y250-F321 HydrophobicContact CE2-CD2 4.09Å; Y250-F321 WeakPolarHBondContact OH-CB 3.06Å; Y250-F321 WeakPolarHBondContact OH-CD2 3.49Å; Y250-V325 HydrophobicContact CD2-CG2 4.35Å; Y250-V325 HydrophobicContact CE2-CG1 4.39Å; Y250-V325 HydrophobicContact CE2-CG2 3.68Å; Y250-F495 AromaticContact CD2-CD1 3.79Å; Y250-F495 HydrophobicContact CD2-CD1 3.79Å; Y250-F495 HydrophobicContact CD2-CE1 4.29Å; Y250-F495 HydrophobicContact CE2-CB 4.16Å; Y250-F495 AromaticContact CE2-CD1 3.62Å; Y250-F495 HydrophobicContact CE2-CD1 3.62Å; Y250-F495 HydrophobicContact CE2-CE1 4.49Å; Y250-F495 HydrophobicContact CE2-CG 4.25Å; Y250-F495 HydrophobicContact CG-CD1 4.35Å; Y250-F495 PolarHBondContact OH-O 2.95Å; Y250-P499 HydrophobicContact CD1-CG 4.29Å; Y250-P499 HydrophobicContact CE1-CB 4.16Å; Y250-P499 HydrophobicContact CE1-CG 3.84Å; Y250-M516 VanDerWaalsContact CB-SD 3.55Å; Y250-M516 HydrophobicContact CD1-CE 3.52Å; Y250-M516 HydrophobicContact CD1-SD 4.45Å; Y250-M516 HydrophobicContact CE1-CE 4.27Å; Y250-M516 HydrophobicContact CG-CE 3.79Å; Y250-M516 HydrophobicContact CG-SD 4.13Å
251	M	98	Very high	96	Very high	28 Å²	28	32.3 Å²	32.3	14%	0.138	17%	0.166	C	C	.	.	H	α-helix	trans	-62.6	-43.5	178.4	-170	177.4	64.4	0	0	111.6	A247 L248 F249 A254 M255 I513 M516 L517 I520	A247-M251 WeakPolarHBondContact O-CB 3.41Å; A247-M251 PolarHBondContact O-N 2.76Å; L248-M251 HydrophobicContact CD1-CE 3.56Å; L248-M251 PolarHBondContact O-N 2.93Å; F249-M251 VanDerWaalsContact C-N 3.31Å; F249-M251 PolarHBondContact O-N 2.87Å; M251-A254 PolarHBondContact O-N 3.06Å; M251-M255 PolarHBondContact O-N 3.12Å; M251-I513 HydrophobicContact CG-CG2 4.39Å; M251-M516 HydrophobicContact CB-CB 3.79Å; M251-M516 HydrophobicContact CG-CB 4.33Å; M251-L517 HydrophobicContact SD-CB 4.11Å; M251-L517 HydrophobicContact SD-CD1 4.25Å; M251-I520 HydrophobicContact CB-CD1 4.29Å; M251-I520 HydrophobicContact CE-CD1 3.66Å; M251-I520 HydrophobicContact SD-CD1 3.8Å
252	I	98	Very high	95.7	Very high	87 Å²	87	34.3 Å²	34.3	45%	0.446	18%	0.176	S	C	.	.	H	α-helix	trans	-64	-45.9	176.5	-67.7	164.2	0	0	0	110.3	L248 F249 A254 M255	L248-I252 HydrophobicContact CD1-CD1 4.1Å; L248-I252 HydrophobicContact CD1-CG1 4.3Å; L248-I252 HydrophobicContact CG-CD1 4.08Å; L248-I252 WeakPolarHBondContact O-CG1 3.35Å; L248-I252 PolarHBondContact O-N 3.48Å; F249-I252 PolarHBondContact O-N 3.28Å; I252-A254 VanDerWaalsContact C-N 3.28Å; I252-A254 PolarHBondContact O-N 2.82Å; I252-M255 WeakPolarHBondContact O-CB 3.39Å; I252-M255 PolarHBondContact O-N 3.06Å; I252-M255 VanDerWaalsContact O-N 3.15Å
253	D	97.4	Very high	95.3	Very high	11 Å²	11	35.6 Å²	35.6	6%	0.059	19%	0.19	C	C	.	.	H	α-helix	trans	-67	-29.4	179.6	-104.1	9.4	0	0	0	112.6	F249 Y250 M255 K256 P260 W261 Y320	F249-D253 PolarHBondContact O-N 3.45Å; Y250-D253 PolarHBondContact O-N 3.42Å; D253-M255 PolarHBondContact O-N 2.88Å; D253-K256 VanDerWaalsContact CG-NZ 3.31Å; D253-K256 WeakPolarHBondContact O-CB 3.48Å; D253-K256 WeakPolarHBondContact O-CG 3.42Å; D253-K256 PolarHBondContact O-N 3.34Å; D253-K256 VanDerWaalsContact OD1-CE 3.28Å; D253-K256 WeakPolarHBondContact OD1-CE 3.37Å; D253-K256 IonicContact OD1-NZ 3.42Å; D253-K256 PolarHBondContact OD1-NZ 2.95Å; D253-K256 IonicContact OD2-NZ 3.14Å; D253-P260 HydrophobicContact CB-CG 3.87Å; D253-W261 HydrophobicContact CB-CZ3 4.44Å; D253-Y320 VanDerWaalsContact CB-OH 3.23Å; D253-Y320 WeakPolarHBondContact CB-OH 3.29Å; D253-Y320 VanDerWaalsContact CG-OH 3.28Å; D253-Y320 PolarHBondContact OD2-OH 3.46Å
254	A	96.8	Very high	95.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.4	-22.1	174	0	0	0	0	0	113.2	Y250 M251 I252 K256 W261 T509 A512 I513	Y250-A254 VanDerWaalsContact O-CB 3.29Å; Y250-A254 WeakPolarHBondContact O-CB 3.27Å; Y250-A254 PolarHBondContact O-N 3.28Å; M251-A254 PolarHBondContact O-N 3.06Å; I252-A254 VanDerWaalsContact C-N 3.28Å; I252-A254 PolarHBondContact O-N 2.82Å; A254-K256 PolarHBondContact O-N 3.03Å; A254-W261 HydrophobicContact CB-CH2 4.01Å; A254-T509 WeakPolarHBondContact O-CG2 3.35Å; A254-A512 HydrophobicContact CB-CB 3.95Å; A254-I513 HydrophobicContact CB-CG1 3.76Å
255	M	94.5	Very high	94.7	Very high	127 Å²	127	44.1 Å²	44.1	63%	0.626	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-5.5	177.9	-64.1	-179.6	173.9	0	0	113.6	M251 I252 D253 I513	M251-M255 PolarHBondContact O-N 3.12Å; I252-M255 WeakPolarHBondContact O-CB 3.39Å; I252-M255 PolarHBondContact O-N 3.06Å; I252-M255 VanDerWaalsContact O-N 3.15Å; D253-M255 PolarHBondContact O-N 2.88Å; M255-I513 HydrophobicContact CG-CD1 4.23Å
256	K	92.2	Very high	94.5	Very high	86 Å²	86	46.7 Å²	46.7	37%	0.374	25%	0.251	S	S	.	.	S	Bend	trans	-68	157.4	171.1	-66.6	174.2	-168.5	162.9	0	110.6	D253 A254 H258	D253-K256 VanDerWaalsContact CG-NZ 3.31Å; D253-K256 WeakPolarHBondContact O-CB 3.48Å; D253-K256 WeakPolarHBondContact O-CG 3.42Å; D253-K256 PolarHBondContact O-N 3.34Å; D253-K256 VanDerWaalsContact OD1-CE 3.28Å; D253-K256 WeakPolarHBondContact OD1-CE 3.37Å; D253-K256 IonicContact OD1-NZ 3.42Å; D253-K256 PolarHBondContact OD1-NZ 2.95Å; D253-K256 IonicContact OD2-NZ 3.14Å; A254-K256 PolarHBondContact O-N 3.03Å; K256-H258 WeakPolarHBondContact CB-O 3.19Å; K256-H258 PolarHBondContact O-N 3.28Å; K256-H258 VanDerWaalsContact O-N 3.11Å
257	P	87.2	Confident	94.4	Very high	118 Å²	118	53.8 Å²	53.8	77%	0.766	28%	0.278	S	S	*	.	S	Bend	trans	-54.6	-33.3	179.3	-27.4	35.1	0	0	0	114.1
258	H	89.2	Confident	94.3	Very high	155 Å²	155	54.3 Å²	54.3	72%	0.718	28%	0.28	S	S	*	.	S	Bend	trans	-130.3	141.5	172.1	-59.7	-74	0	0	0	108.7	K256	K256-H258 WeakPolarHBondContact CB-O 3.19Å; K256-H258 PolarHBondContact O-N 3.28Å; K256-H258 VanDerWaalsContact O-N 3.11Å
259	I	93.9	Very high	94.1	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.031	28%	0.28	C	S	.	.			trans	-64.3	134.7	176.8	64.1	-177.5	0	0	0	109.9	W261 D262 A503 A512	I259-W261 VanDerWaalsContact C-N 3.27Å; I259-W261 HydrophobicContact CB-CD2 4.17Å; I259-W261 HydrophobicContact CB-CH2 4.26Å; I259-W261 HydrophobicContact CB-CZ2 3.84Å; I259-W261 HydrophobicContact CD1-CZ2 4.23Å; I259-W261 VanDerWaalsContact CD1-NE1 3.26Å; I259-W261 HydrophobicContact CG2-CH2 4.33Å; I259-W261 HydrophobicContact CG2-CZ2 3.94Å; I259-W261 PolarHBondContact O-N 3.25Å; I259-D262 HydrophobicContact CD1-CB 4.19Å; I259-D262 HydrophobicContact CG1-CB 3.79Å; I259-D262 PolarHBondContact O-N 2.79Å; I259-A503 HydrophobicContact CD1-CB 3.78Å; I259-A512 HydrophobicContact CG2-CB 4.4Å
260	P	94.6	Very high	93.8	Very high	14 Å²	14	55.7 Å²	55.7	9%	0.091	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-14.6	-170.5	25.4	-32.8	0	0	0	114.6	D253 W268 Y320	D253-P260 HydrophobicContact CB-CG 3.87Å; P260-W268 HydrophobicContact CB-CH2 4.17Å; P260-W268 HydrophobicContact CB-CZ2 4.23Å; P260-Y320 HydrophobicContact CB-CD2 4.36Å; P260-Y320 HydrophobicContact CB-CE2 3.93Å; P260-Y320 HydrophobicContact CG-CD2 4.34Å; P260-Y320 HydrophobicContact CG-CE2 3.55Å
261	W	94.8	Very high	93.3	Very high	1 Å²	1	62.6 Å²	62.6	0%	0.004	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	1.6	-179.3	54.1	84.9	0	0	0	114.7	Y250 D253 A254 I259 S316 T317 Y320 P499 A512	Y250-W261 AromaticContact CD1-CE3 3.97Å; Y250-W261 HydrophobicContact CD1-CE3 3.97Å; Y250-W261 AromaticContact CD1-CH2 3.8Å; Y250-W261 HydrophobicContact CD1-CH2 3.8Å; Y250-W261 HydrophobicContact CD1-CZ2 4.35Å; Y250-W261 AromaticContact CD1-CZ3 3.59Å; Y250-W261 HydrophobicContact CD1-CZ3 3.59Å; Y250-W261 HydrophobicContact CE1-CD2 4.42Å; Y250-W261 HydrophobicContact CE1-CE3 4.11Å; Y250-W261 HydrophobicContact CE1-CZ3 4.21Å; Y250-W261 HydrophobicContact CG-CZ3 4.33Å; D253-W261 HydrophobicContact CB-CZ3 4.44Å; A254-W261 HydrophobicContact CB-CH2 4.01Å; I259-W261 VanDerWaalsContact C-N 3.27Å; I259-W261 HydrophobicContact CB-CD2 4.17Å; I259-W261 HydrophobicContact CB-CH2 4.26Å; I259-W261 HydrophobicContact CB-CZ2 3.84Å; I259-W261 HydrophobicContact CD1-CZ2 4.23Å; I259-W261 VanDerWaalsContact CD1-NE1 3.26Å; I259-W261 HydrophobicContact CG2-CH2 4.33Å; I259-W261 HydrophobicContact CG2-CZ2 3.94Å; I259-W261 PolarHBondContact O-N 3.25Å; W261-S316 CarbonylContact O-C 3.53Å; W261-S316 VanDerWaalsContact O-CB 3.23Å; W261-S316 WeakPolarHBondContact O-CB 3.01Å; W261-S316 PolarHBondContact O-OG 3.27Å; W261-T317 HydrophobicContact CB-CG2 4.19Å; W261-T317 HydrophobicContact CG-CG2 4.27Å; W261-Y320 HydrophobicContact CB-CD1 3.9Å; W261-Y320 HydrophobicContact CB-CD2 4.18Å; W261-Y320 HydrophobicContact CB-CG 3.65Å; W261-Y320 HydrophobicContact CD2-CD1 4.41Å; W261-Y320 HydrophobicContact CD2-CE1 4.38Å; W261-Y320 AromaticContact CE3-CD1 3.88Å; W261-Y320 HydrophobicContact CE3-CD1 3.88Å; W261-Y320 AromaticContact CE3-CE1 3.46Å; W261-Y320 HydrophobicContact CE3-CE1 3.46Å; W261-Y320 VanDerWaalsContact CE3-CE1 3.46Å; W261-Y320 HydrophobicContact CE3-CE2 4.15Å; W261-Y320 HydrophobicContact CE3-CG 4.39Å; W261-Y320 AromaticContact CE3-CZ 3.61Å; W261-Y320 HydrophobicContact CG-CD1 4.47Å; W261-Y320 AromaticContact CZ3-CE1 3.99Å; W261-Y320 HydrophobicContact CZ3-CE1 3.99Å; W261-P499 HydrophobicContact CD2-CB 4.37Å; W261-P499 HydrophobicContact CG-CB 4.4Å; W261-P499 HydrophobicContact CZ2-CB 4.3Å; W261-P499 PolarHBondContact NE1-O 2.98Å; W261-A512 HydrophobicContact CH2-CB 4.26Å; W261-A512 HydrophobicContact CZ2-CB 3.83Å
262	D	91.2	Very high	92.7	Very high	42 Å²	42	63.2 Å²	63.2	23%	0.225	33%	0.333	C	S	.	.	S	Bend	trans	-84.5	-11	177.3	-170.4	33	0	0	0	113.3	I259 A503	I259-D262 HydrophobicContact CD1-CB 4.19Å; I259-D262 HydrophobicContact CG1-CB 3.79Å; I259-D262 PolarHBondContact O-N 2.79Å; D262-A503 HydrophobicContact CB-CB 4.42Å
263	G	89.6	Confident	92.3	Very high	28 Å²	28	59 Å²	59	29%	0.289	31%	0.312	S	S	.	.			trans	-125.7	158.6	-176.4	0	0	0	0	0	114.2	N266 N269	G263-N266 PolarHBondContact O-ND2 3.41Å; G263-N269 PolarHBondContact O-OD1 3.48Å
264	C	91.4	Very high	91.8	Very high	26 Å²	26	58.7 Å²	58.7	18%	0.176	31%	0.31	C	S	.	.	S	Bend	trans	-103	-0	173.7	-72.2	0	0	0	0	114	N266 N269 C273 V274 T275	C264-N266 VanDerWaalsContact C-N 3.3Å; C264-N266 PolarHBondContact O-N 3.36Å; C264-N269 VanDerWaalsContact C-OD1 3.28Å; C264-N269 WeakPolarHBondContact CA-OD1 3.18Å; C264-N269 WeakPolarHBondContact O-CB 3.23Å; C264-N269 PolarHBondContact O-OD1 2.97Å; C264-C273 VanDerWaalsContact CA-SG 3.54Å; C264-C273 HydrophobicContact CB-CB 3.67Å; C264-C273 WeakPolarHBondContact CB-SG 3.44Å; C264-C273 WeakPolarHBondContact SG-CB 3.46Å; C264-C273 CovalentContact SG-SG 2.04Å; C264-C273 PolarHBondContact SG-SG 3.14Å; C264-V274 PolarHBondContact SG-N 3.21Å; C264-V274 VanDerWaalsContact SG-N 3.44Å; C264-T275 HydrophobicContact CB-CG2 4.12Å; C264-T275 PolarHBondContact SG-N 2.72Å
265	N	91	Very high	91.2	Very high	161 Å²	161	59.6 Å²	59.6	86%	0.861	32%	0.315	S	S	*	.			trans	-92.2	55.3	-177.5	-168.6	26.3	0	0	0	111.9
266	N	94.5	Very high	90.2	Very high	54 Å²	54	53.7 Å²	53.7	29%	0.289	29%	0.286	S	S	.	.	S	Bend	trans	-127.4	160.4	178.4	-52	-81.7	0	0	0	111.5	G263 C264 W268 N269	G263-N266 PolarHBondContact O-ND2 3.41Å; C264-N266 VanDerWaalsContact C-N 3.3Å; C264-N266 PolarHBondContact O-N 3.36Å; N266-W268 HydrophobicContact CB-CD2 3.56Å; N266-W268 VanDerWaalsContact CB-CE2 3.46Å; N266-W268 HydrophobicContact CB-CE3 3.58Å; N266-W268 HydrophobicContact CB-CG 4.38Å; N266-W268 HydrophobicContact CB-CH2 3.5Å; N266-W268 VanDerWaalsContact CB-CH2 3.5Å; N266-W268 HydrophobicContact CB-CZ2 3.44Å; N266-W268 VanDerWaalsContact CB-CZ2 3.44Å; N266-W268 HydrophobicContact CB-CZ3 3.57Å; N266-W268 WeakPolarHBondContact ND2-CZ2 3.33Å; N266-W268 PolarHBondContact O-N 2.72Å; N266-W268 VanDerWaalsContact O-N 3.14Å; N266-W268 WeakPolarHBondContact OD1-CH2 3.45Å; N266-N269 VanDerWaalsContact CB-OD1 3.25Å; N266-N269 WeakPolarHBondContact CB-OD1 3.33Å; N266-N269 PolarHBondContact N-OD1 3.23Å; N266-N269 PolarHBondContact ND2-OD1 3.46Å; N266-N269 PolarHBondContact O-N 3.31Å
267	W	95.4	Very high	89.1	Confident	150 Å²	150	54.9 Å²	54.9	57%	0.568	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.3	-177.6	68.6	-100.5	0	0	0	114.2	Q327	W267-Q327 HydrophobicContact CH2-CG 4.35Å
268	W	95.5	Very high	88.2	Confident	13 Å²	13	52.3 Å²	52.3	5%	0.049	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-15.8	179.3	59.9	88.1	0	0	0	113	P260 N266 Y320 R323 R324	P260-W268 HydrophobicContact CB-CH2 4.17Å; P260-W268 HydrophobicContact CB-CZ2 4.23Å; N266-W268 HydrophobicContact CB-CD2 3.56Å; N266-W268 VanDerWaalsContact CB-CE2 3.46Å; N266-W268 HydrophobicContact CB-CE3 3.58Å; N266-W268 HydrophobicContact CB-CG 4.38Å; N266-W268 HydrophobicContact CB-CH2 3.5Å; N266-W268 VanDerWaalsContact CB-CH2 3.5Å; N266-W268 HydrophobicContact CB-CZ2 3.44Å; N266-W268 VanDerWaalsContact CB-CZ2 3.44Å; N266-W268 HydrophobicContact CB-CZ3 3.57Å; N266-W268 WeakPolarHBondContact ND2-CZ2 3.33Å; N266-W268 PolarHBondContact O-N 2.72Å; N266-W268 VanDerWaalsContact O-N 3.14Å; N266-W268 WeakPolarHBondContact OD1-CH2 3.45Å; W268-Y320 AromaticContact CZ2-CD2 3.84Å; W268-Y320 HydrophobicContact CZ2-CD2 3.84Å; W268-Y320 HydrophobicContact CZ2-CE2 4.35Å; W268-R323 HydrophobicContact CB-CB 4.13Å; W268-R323 WeakPolarHBondContact O-CD 3.29Å; W268-R323 PolarHBondContact O-NE 2.77Å; W268-R324 HydrophobicContact CB-CB 4.19Å; W268-R324 HydrophobicContact CD2-CB 3.6Å; W268-R324 HydrophobicContact CD2-CG 3.96Å; W268-R324 HydrophobicContact CE3-CB 4.13Å; W268-R324 HydrophobicContact CE3-CG 4.02Å; W268-R324 HydrophobicContact CG-CB 3.63Å; W268-R324 HydrophobicContact CG-CG 4.48Å; W268-R324 HydrophobicContact CH2-CG 4.32Å; W268-R324 HydrophobicContact CZ2-CB 4.41Å; W268-R324 HydrophobicContact CZ2-CG 4.27Å; W268-R324 HydrophobicContact CZ3-CG 4.19Å
269	N	95.1	Very high	87.1	Confident	23 Å²	23	48.2 Å²	48.2	12%	0.123	25%	0.245	C	C	.	.			trans	-76.9	148.4	-173.1	-72.3	123.9	0	0	0	112.2	G263 C264 N266 C273 E319	G263-N269 PolarHBondContact O-OD1 3.48Å; C264-N269 VanDerWaalsContact C-OD1 3.28Å; C264-N269 WeakPolarHBondContact CA-OD1 3.18Å; C264-N269 WeakPolarHBondContact O-CB 3.23Å; C264-N269 PolarHBondContact O-OD1 2.97Å; N266-N269 VanDerWaalsContact CB-OD1 3.25Å; N266-N269 WeakPolarHBondContact CB-OD1 3.33Å; N266-N269 PolarHBondContact N-OD1 3.23Å; N266-N269 PolarHBondContact ND2-OD1 3.46Å; N266-N269 PolarHBondContact O-N 3.31Å; N269-C273 HydrophobicContact CB-CB 4.24Å; N269-C273 PolarHBondContact ND2-SG 3.37Å; N269-E319 WeakPolarHBondContact CA-OE2 3.27Å; N269-E319 WeakPolarHBondContact CB-OE2 3.39Å; N269-E319 PolarHBondContact ND2-OE2 3.47Å
270	T	91.4	Very high	85.4	Confident	39 Å²	39	50 Å²	50	24%	0.239	26%	0.255	C	S	.	.			trans	-99.9	170.2	174.7	80.6	0	0	0	0	111.7	S272 C273 E319 R323	T270-S272 PolarHBondContact O-N 3.42Å; T270-S272 WeakPolarHBondContact OG1-CB 3.33Å; T270-S272 PolarHBondContact OG1-N 3.49Å; T270-S272 VanDerWaalsContact OG1-N 3.11Å; T270-C273 WeakPolarHBondContact O-CB 3.47Å; T270-C273 PolarHBondContact O-N 3.1Å; T270-C273 VanDerWaalsContact O-N 3.08Å; T270-E319 WeakPolarHBondContact CB-OE1 3.31Å; T270-E319 PolarHBondContact N-OE2 3.03Å; T270-E319 PolarHBondContact OG1-OE1 3.17Å; T270-R323 VanDerWaalsContact CG2-CZ 3.4Å
271	N	87	Confident	83.5	Confident	146 Å²	146	53 Å²	53	78%	0.781	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.2	172.4	-67.5	-20.3	0	0	0	112.9	C273 K306	N271-C273 VanDerWaalsContact C-N 3.28Å; N271-K306 VanDerWaalsContact O-CD 3.3Å; N271-K306 WeakPolarHBondContact O-CD 3.39Å; N271-K306 WeakPolarHBondContact O-CE 3.31Å; N271-K306 PolarHBondContact O-NZ 3.2Å
272	S	85.3	Confident	81.5	Confident	40 Å²	40	53.9 Å²	53.9	28%	0.28	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-2.1	175.7	-60.5	0	0	0	0	113.5	T270 V313 F314	T270-S272 PolarHBondContact O-N 3.42Å; T270-S272 WeakPolarHBondContact OG1-CB 3.33Å; T270-S272 PolarHBondContact OG1-N 3.49Å; T270-S272 VanDerWaalsContact OG1-N 3.11Å; S272-V313 WeakPolarHBondContact O-CA 3.37Å; S272-V313 WeakPolarHBondContact O-CB 3.41Å; S272-F314 PolarHBondContact O-N 3.48Å
273	C	89.4	Confident	79.4	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	131.8	176.3	-171.4	0	0	0	0	110.8	C264 N269 T270 N271 K306 F314 E319	C264-C273 VanDerWaalsContact CA-SG 3.54Å; C264-C273 HydrophobicContact CB-CB 3.67Å; C264-C273 WeakPolarHBondContact CB-SG 3.44Å; C264-C273 WeakPolarHBondContact SG-CB 3.46Å; C264-C273 CovalentContact SG-SG 2.04Å; C264-C273 PolarHBondContact SG-SG 3.14Å; N269-C273 HydrophobicContact CB-CB 4.24Å; N269-C273 PolarHBondContact ND2-SG 3.37Å; T270-C273 WeakPolarHBondContact O-CB 3.47Å; T270-C273 PolarHBondContact O-N 3.1Å; T270-C273 VanDerWaalsContact O-N 3.08Å; N271-C273 VanDerWaalsContact C-N 3.28Å; C273-K306 PolarHBondContact O-NZ 3.48Å; C273-F314 WeakPolarHBondContact CA-O 3.28Å; C273-E319 WeakPolarHBondContact CB-OE2 3.31Å; C273-E319 PolarHBondContact N-OE1 3.21Å
274	V	87.1	Confident	77.5	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.024	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	130.6	169.1	-65.4	0	0	0	0	110.3	C264 V313 F314 S315 S316	C264-V274 PolarHBondContact SG-N 3.21Å; C264-V274 VanDerWaalsContact SG-N 3.44Å; V274-V313 HydrophobicContact CG1-CB 4.07Å; V274-V313 HydrophobicContact CG1-CG1 4.23Å; V274-V313 HydrophobicContact CG1-CG2 4.47Å; V274-V313 HydrophobicContact CG2-CB 4.3Å; V274-V313 HydrophobicContact CG2-CG2 4.35Å; V274-F314 WeakPolarHBondContact CG2-O 3.41Å; V274-F314 PolarHBondContact N-O 3.15Å; V274-S315 CarbonylContact O-C 3.6Å; V274-S315 WeakPolarHBondContact O-CA 3.35Å; V274-S316 PolarHBondContact O-N 2.93Å
275	T	84.7	Confident	75.4	Confident	18 Å²	18	59.3 Å²	59.3	11%	0.11	30%	0.295	C	S	.	.			trans	-70.9	162.2	172.5	59.7	0	0	0	0	110.7	C264 Y277 E278 R279	C264-T275 HydrophobicContact CB-CG2 4.12Å; C264-T275 PolarHBondContact SG-N 2.72Å; T275-Y277 PolarHBondContact O-N 2.99Å; T275-E278 WeakPolarHBondContact CB-OE2 3.22Å; T275-E278 WeakPolarHBondContact CG2-OE2 3.47Å; T275-E278 PolarHBondContact N-OE2 2.7Å; T275-E278 PolarHBondContact O-N 3.41Å; T275-E278 WeakPolarHBondContact OG1-CB 3.17Å; T275-E278 VanDerWaalsContact OG1-CD 3.27Å; T275-E278 WeakPolarHBondContact OG1-CG 3.32Å; T275-E278 PolarHBondContact OG1-N 2.72Å; T275-E278 PolarHBondContact OG1-OE2 2.77Å; T275-R279 PolarHBondContact O-N 3.3Å
276	V	74.7	Confident	73.4	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.018	29%	0.291	C	S	.	.	H	α-helix	trans	-53.8	-41.2	172	178.1	0	0	0	0	110.6	L280 M479 E500 T504	V276-L280 WeakPolarHBondContact O-CG 3.43Å; V276-M479 HydrophobicContact CG1-CE 3.99Å; V276-M479 HydrophobicContact CG1-SD 4.18Å; V276-E500 HydrophobicContact CG2-CG 3.85Å; V276-T504 HydrophobicContact CG1-CG2 3.6Å
277	Y	68.4	Low	71.2	Confident	112 Å²	112	62.2 Å²	62.2	44%	0.439	31%	0.31	S	S	.	.	H	α-helix	trans	-74.6	-42.7	-178.2	-61	-77.5	0	0	0	114.2	T275 R279 L280 I281	T275-Y277 PolarHBondContact O-N 2.99Å; Y277-R279 PolarHBondContact O-N 2.93Å; Y277-L280 HydrophobicContact CD1-CD1 4.32Å; Y277-L280 WeakPolarHBondContact O-CB 3.47Å; Y277-L280 PolarHBondContact O-N 3.39Å; Y277-L280 VanDerWaalsContact O-N 3.1Å; Y277-I281 PolarHBondContact O-N 3.27Å
278	E	69	Low	68.8	Low	64 Å²	64	56.7 Å²	56.7	30%	0.299	30%	0.296	S	S	.	.	H	α-helix	trans	-60.8	-33.6	177.2	-74.6	163.2	145.4	0	0	111.6	T275 L280 I281 N282	T275-E278 WeakPolarHBondContact CB-OE2 3.22Å; T275-E278 WeakPolarHBondContact CG2-OE2 3.47Å; T275-E278 PolarHBondContact N-OE2 2.7Å; T275-E278 PolarHBondContact O-N 3.41Å; T275-E278 WeakPolarHBondContact OG1-CB 3.17Å; T275-E278 VanDerWaalsContact OG1-CD 3.27Å; T275-E278 WeakPolarHBondContact OG1-CG 3.32Å; T275-E278 PolarHBondContact OG1-N 2.72Å; T275-E278 PolarHBondContact OG1-OE2 2.77Å; E278-L280 VanDerWaalsContact C-N 3.33Å; E278-L280 PolarHBondContact O-N 3.43Å; E278-I281 PolarHBondContact O-N 3.24Å; E278-N282 PolarHBondContact O-N 3.49Å
279	R	64.4	Low	66.5	Low	68 Å²	68	61.3 Å²	61.3	26%	0.257	33%	0.33	S	S	.	.	H	α-helix	trans	-67.9	-32.7	177.2	-158.7	177	-72.9	-158.4	4.1	112.3	T275 Y277	T275-R279 PolarHBondContact O-N 3.3Å; Y277-R279 PolarHBondContact O-N 2.93Å
280	L	58.6	Low	64.1	Low	43 Å²	43	67.6 Å²	67.6	23%	0.225	36%	0.359	C	S	.	.	H	α-helix	trans	-65.1	-43.6	175.4	-64.2	173.8	0	0	0	112.4	V276 Y277 E278 N282 H283 S284 R478 M479	V276-L280 WeakPolarHBondContact O-CG 3.43Å; Y277-L280 HydrophobicContact CD1-CD1 4.32Å; Y277-L280 WeakPolarHBondContact O-CB 3.47Å; Y277-L280 PolarHBondContact O-N 3.39Å; Y277-L280 VanDerWaalsContact O-N 3.1Å; E278-L280 VanDerWaalsContact C-N 3.33Å; E278-L280 PolarHBondContact O-N 3.43Å; L280-N282 VanDerWaalsContact C-N 3.28Å; L280-N282 PolarHBondContact O-N 2.92Å; L280-H283 PolarHBondContact O-N 3.43Å; L280-S284 PolarHBondContact O-N 3.03Å; L280-R478 WeakPolarHBondContact CD2-O 3.5Å; L280-M479 HydrophobicContact CD2-CB 4.34Å; L280-M479 HydrophobicContact CD2-CG 4.3Å
281	I	56.1	Low	61.8	Low	78 Å²	78	75.3 Å²	75.3	40%	0.4	39%	0.389	S	S	.	.	H	α-helix	trans	-62.6	-35.7	-177	-68.6	172.4	0	0	0	110.8	Y277 E278 H283 S284 I285 L300	Y277-I281 PolarHBondContact O-N 3.27Å; E278-I281 PolarHBondContact O-N 3.24Å; I281-H283 PolarHBondContact O-N 3.08Å; I281-S284 PolarHBondContact O-OG 3.4Å; I281-I285 HydrophobicContact CG2-CD1 4.12Å; I281-I285 VanDerWaalsContact O-CD1 3.28Å; I281-I285 WeakPolarHBondContact O-CD1 3.37Å; I281-I285 WeakPolarHBondContact O-CG1 3.1Å; I281-I285 PolarHBondContact O-N 2.9Å; I281-L300 HydrophobicContact CG2-CD2 3.08Å
282	N	51.7	Low	59.7	Low	20 Å²	20	74.7 Å²	74.7	11%	0.107	38%	0.377	C	S	.	.	H	α-helix	trans	-68.6	-34.7	177.3	-76.5	-25.8	0	0	0	113.5	E278 L280 I285 L286 I307	E278-N282 PolarHBondContact O-N 3.49Å; L280-N282 VanDerWaalsContact C-N 3.28Å; L280-N282 PolarHBondContact O-N 2.92Å; N282-I285 PolarHBondContact O-N 2.99Å; N282-L286 PolarHBondContact O-N 3.39Å; N282-I307 WeakPolarHBondContact ND2-CD1 3.44Å
283	H	47.8	Very low	57.8	Low	95 Å²	95	80.9 Å²	80.9	44%	0.44	40%	0.401	S	S	.	.	H	α-helix	trans	-75.4	-26.9	-177.2	-143.9	-67	0	0	0	112.7	L280 I281	L280-H283 PolarHBondContact O-N 3.43Å; I281-H283 PolarHBondContact O-N 3.08Å
284	S	49	Very low	55.8	Low	55 Å²	55	87.6 Å²	87.6	39%	0.385	44%	0.436	S	S	.	.	H	α-helix	trans	-73.2	-37.5	172	58.5	0	0	0	0	112.1	L280 I281 N287 A288	L280-S284 PolarHBondContact O-N 3.03Å; I281-S284 PolarHBondContact O-OG 3.4Å; S284-N287 PolarHBondContact O-N 3.42Å; S284-A288 WeakPolarHBondContact O-CB 3.48Å; S284-A288 PolarHBondContact O-N 3.04Å
285	I	48	Very low	53.9	Low	60 Å²	60	94.4 Å²	94.4	31%	0.308	47%	0.472	S	S	.	.	H	α-helix	trans	-67.9	-43	180	-58.6	158.9	0	0	0	112.2	I281 N282 N287 A288 L300	I281-I285 HydrophobicContact CG2-CD1 4.12Å; I281-I285 VanDerWaalsContact O-CD1 3.28Å; I281-I285 WeakPolarHBondContact O-CD1 3.37Å; I281-I285 WeakPolarHBondContact O-CG1 3.1Å; I281-I285 PolarHBondContact O-N 2.9Å; N282-I285 PolarHBondContact O-N 2.99Å; I285-N287 PolarHBondContact O-N 3.49Å; I285-A288 CarbonylContact O-C 3.25Å; I285-A288 PolarHBondContact O-N 3.16Å; I285-A288 VanDerWaalsContact O-N 3.09Å; I285-L300 HydrophobicContact CD1-CB 3.94Å; I285-L300 HydrophobicContact CD1-CD1 4.1Å; I285-L300 HydrophobicContact CD1-CD2 3.21Å; I285-L300 HydrophobicContact CD1-CG 3.87Å; I285-L300 HydrophobicContact CG1-CD1 4.34Å; I285-L300 HydrophobicContact CG1-CD2 3.91Å
286	L	48.9	Very low	52.1	Low	149 Å²	149	98.5 Å²	98.5	78%	0.78	49%	0.49	S	S	*	.	H	α-helix	trans	-62.8	-25	179	-74.6	169.6	0	0	0	112.5	N282	N282-L286 PolarHBondContact O-N 3.39Å
287	N	46.7	Very low	50.6	Low	126 Å²	126	102.8 Å²	102.8	67%	0.674	51%	0.513	S	S	*	.	H	α-helix	trans	-95.3	-17.3	175.1	-71.1	-13.5	0	0	0	113.4	S284 I285 S289	S284-N287 PolarHBondContact O-N 3.42Å; I285-N287 PolarHBondContact O-N 3.49Å; N287-S289 PolarHBondContact O-N 2.71Å
288	A	47	Very low	49.5	Very low	34 Å²	34	101.8 Å²	101.8	28%	0.281	52%	0.518	S	S	.	.			trans	-99.2	78.7	-179.9	0	0	0	0	0	111	S284 I285 H290 Y292	S284-A288 WeakPolarHBondContact O-CB 3.48Å; S284-A288 PolarHBondContact O-N 3.04Å; I285-A288 CarbonylContact O-C 3.25Å; I285-A288 PolarHBondContact O-N 3.16Å; I285-A288 VanDerWaalsContact O-N 3.09Å; A288-H290 PolarHBondContact O-N 3.42Å; A288-H290 VanDerWaalsContact O-N 3.07Å; A288-Y292 HydrophobicContact CB-CD2 4.49Å; A288-Y292 HydrophobicContact CB-CE2 3.88Å
289	S	47.3	Very low	48.5	Very low	110 Å²	110	104.6 Å²	104.6	77%	0.769	54%	0.535	S	S	*	.			trans	-70	11.5	165.4	50.4	0	0	0	0	113.7	N287	N287-S289 PolarHBondContact O-N 2.71Å
290	H	44.5	Very low	47.7	Very low	155 Å²	155	102.5 Å²	102.5	72%	0.718	53%	0.529	S	S	*	.	S	Bend	trans	-139.5	114.8	-174.6	-83.8	-105.9	0	0	0	113.1	A288	A288-H290 PolarHBondContact O-N 3.42Å; A288-H290 VanDerWaalsContact O-N 3.07Å
291	K	41.4	Very low	47.1	Very low	201 Å²	201	102.7 Å²	102.7	87%	0.874	53%	0.534	S	S	*	.			trans	57.4	96.6	159.5	-82.2	179	168.4	178.2	0	117.9
292	Y	44.6	Very low	46.8	Very low	134 Å²	134	103.2 Å²	103.2	53%	0.525	54%	0.537	S	S	.	.			trans	-128.2	149.2	152.9	-78.9	-77.8	0	0	0	111.4	A288 E296	A288-Y292 HydrophobicContact CB-CD2 4.49Å; A288-Y292 HydrophobicContact CB-CE2 3.88Å; Y292-E296 WeakPolarHBondContact CD1-OE2 3.3Å
293	E	45.3	Very low	46.7	Very low	170 Å²	170	102.8 Å²	102.8	79%	0.794	54%	0.536	S	S	*	.			trans	-74.2	147.9	-178.8	-67.6	-179.3	162.8	0	0	112	N295 E296	E293-N295 PolarHBondContact O-N 2.86Å; E293-E296 PolarHBondContact O-N 3.27Å; E293-E296 VanDerWaalsContact O-N 3.14Å
294	L	46.1	Very low	46.7	Very low	141 Å²	141	100.1 Å²	100.1	74%	0.738	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-21.3	-167.6	-143.9	91.2	0	0	0	116.2	L297	L294-L297 HydrophobicContact CD1-CD1 4.42Å
295	N	47.5	Very low	46.8	Very low	146 Å²	146	103.2 Å²	103.2	78%	0.781	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-24.1	-176.5	-70	-18	0	0	0	113.5	E293	E293-N295 PolarHBondContact O-N 2.86Å
296	E	47.1	Very low	47	Very low	104 Å²	104	103.6 Å²	103.6	49%	0.486	54%	0.539	S	S	.	.	H	α-helix	trans	-72.9	-39.7	170.6	-71.9	-173.1	153	0	0	109.8	Y292 E293 V298 N299 L300	Y292-E296 WeakPolarHBondContact CD1-OE2 3.3Å; E293-E296 PolarHBondContact O-N 3.27Å; E293-E296 VanDerWaalsContact O-N 3.14Å; E296-V298 PolarHBondContact O-N 3.27Å; E296-N299 PolarHBondContact O-N 3.13Å; E296-N299 VanDerWaalsContact O-N 3.09Å; E296-L300 HydrophobicContact CB-CD1 3.9Å; E296-L300 HydrophobicContact CB-CG 4.38Å; E296-L300 WeakPolarHBondContact O-CG 3.24Å; E296-L300 PolarHBondContact O-N 3.37Å; E296-L300 VanDerWaalsContact O-N 3.1Å
297	L	43.7	Very low	47.1	Very low	93 Å²	93	100 Å²	100	49%	0.487	52%	0.519	S	S	.	.	H	α-helix	trans	-46.7	-31	-179.6	-84.7	153.3	0	0	0	115.7	L294 S301	L294-L297 HydrophobicContact CD1-CD1 4.42Å; L297-S301 WeakPolarHBondContact O-CB 3.16Å; L297-S301 PolarHBondContact O-N 2.87Å
298	V	44.8	Very low	47.2	Very low	91 Å²	91	100.3 Å²	100.3	55%	0.552	52%	0.521	S	S	*	.	H	α-helix	trans	-73.5	-45.9	-179	179.9	0	0	0	0	112.3	E296 L300 S301	E296-V298 PolarHBondContact O-N 3.27Å; V298-L300 VanDerWaalsContact C-N 3.31Å; V298-S301 PolarHBondContact O-N 2.97Å; V298-S301 PolarHBondContact O-OG 3.43Å
299	N	47.3	Very low	47.3	Very low	123 Å²	123	100.5 Å²	100.5	66%	0.658	53%	0.527	S	S	*	.	H	α-helix	trans	-71.5	-30.7	174.3	-73.9	-16.3	0	0	0	111.4	E296 S301 I302	E296-N299 PolarHBondContact O-N 3.13Å; E296-N299 VanDerWaalsContact O-N 3.09Å; N299-S301 VanDerWaalsContact C-N 3.34Å; N299-S301 PolarHBondContact O-N 3.45Å; N299-I302 PolarHBondContact O-N 2.92Å
300	L	47.5	Very low	47.5	Very low	25 Å²	25	101.7 Å²	101.7	13%	0.131	54%	0.535	C	S	.	.	H	α-helix	trans	-64.1	-34.9	174.1	-59.5	174.3	0	0	0	112.4	I281 I285 E296 V298 S304	I281-L300 HydrophobicContact CG2-CD2 3.08Å; I285-L300 HydrophobicContact CD1-CB 3.94Å; I285-L300 HydrophobicContact CD1-CD1 4.1Å; I285-L300 HydrophobicContact CD1-CD2 3.21Å; I285-L300 HydrophobicContact CD1-CG 3.87Å; I285-L300 HydrophobicContact CG1-CD1 4.34Å; I285-L300 HydrophobicContact CG1-CD2 3.91Å; E296-L300 HydrophobicContact CB-CD1 3.9Å; E296-L300 HydrophobicContact CB-CG 4.38Å; E296-L300 WeakPolarHBondContact O-CG 3.24Å; E296-L300 PolarHBondContact O-N 3.37Å; E296-L300 VanDerWaalsContact O-N 3.1Å; V298-L300 VanDerWaalsContact C-N 3.31Å; L300-S304 WeakPolarHBondContact O-CB 3.49Å; L300-S304 PolarHBondContact O-N 3.46Å; L300-S304 VanDerWaalsContact O-N 3.17Å; L300-S304 PolarHBondContact O-OG 3.02Å
301	S	47	Very low	48.3	Very low	47 Å²	47	96.2 Å²	96.2	33%	0.329	52%	0.52	S	S	.	.	H	α-helix	trans	-66.4	-36.2	177.9	73.9	0	0	0	0	112.8	L297 V298 N299 S304 L305	L297-S301 WeakPolarHBondContact O-CB 3.16Å; L297-S301 PolarHBondContact O-N 2.87Å; V298-S301 PolarHBondContact O-N 2.97Å; V298-S301 PolarHBondContact O-OG 3.43Å; N299-S301 VanDerWaalsContact C-N 3.34Å; N299-S301 PolarHBondContact O-N 3.45Å; S301-S304 WeakPolarHBondContact CA-OG 3.36Å; S301-S304 PolarHBondContact O-OG 3.21Å; S301-S304 VanDerWaalsContact O-OG 3.11Å; S301-L305 WeakPolarHBondContact O-CB 3.19Å; S301-L305 VanDerWaalsContact O-CD1 3.29Å; S301-L305 WeakPolarHBondContact O-CD1 3.11Å; S301-L305 WeakPolarHBondContact O-CG 3.33Å; S301-L305 PolarHBondContact O-N 3.47Å
302	I	50.4	Low	49.8	Very low	89 Å²	89	94 Å²	94	46%	0.456	51%	0.511	S	S	.	.	H	α-helix	trans	-72.1	-42.3	-177.6	-62.1	171.1	0	0	0	111	N299 L305 K306	N299-I302 PolarHBondContact O-N 2.92Å; I302-L305 PolarHBondContact O-N 3.46Å; I302-K306 WeakPolarHBondContact O-CG 3.33Å; I302-K306 PolarHBondContact O-N 3.14Å
303	A	48.7	Very low	51.5	Low	10 Å²	10	89.4 Å²	89.4	8%	0.083	50%	0.496	C	S	.	.	H	α-helix	trans	-68.1	-37.9	178	0	0	0	0	0	112.2	I307	A303-I307 WeakPolarHBondContact O-CG1 3.28Å
304	S	49	Very low	53.5	Low	40 Å²	40	82.8 Å²	82.8	28%	0.28	47%	0.465	S	S	.	.	H	α-helix	trans	-74.4	-36.7	174.5	55	0	0	0	0	112.8	L300 S301 I307 N308	L300-S304 WeakPolarHBondContact O-CB 3.49Å; L300-S304 PolarHBondContact O-N 3.46Å; L300-S304 VanDerWaalsContact O-N 3.17Å; L300-S304 PolarHBondContact O-OG 3.02Å; S301-S304 WeakPolarHBondContact CA-OG 3.36Å; S301-S304 PolarHBondContact O-OG 3.21Å; S301-S304 VanDerWaalsContact O-OG 3.11Å; S304-I307 PolarHBondContact O-N 3.46Å; S304-N308 VanDerWaalsContact O-CB 3.25Å; S304-N308 WeakPolarHBondContact O-CB 3.37Å; S304-N308 VanDerWaalsContact O-CG 3.31Å; S304-N308 PolarHBondContact O-N 2.91Å
305	L	49.2	Very low	55.5	Low	120 Å²	120	76.1 Å²	76.1	63%	0.628	43%	0.43	S	S	*	.	H	α-helix	trans	-64.7	-36.8	174	-78.3	165.5	0	0	0	112.5	S301 I302 I307 G309	S301-L305 WeakPolarHBondContact O-CB 3.19Å; S301-L305 VanDerWaalsContact O-CD1 3.29Å; S301-L305 WeakPolarHBondContact O-CD1 3.11Å; S301-L305 WeakPolarHBondContact O-CG 3.33Å; S301-L305 PolarHBondContact O-N 3.47Å; I302-L305 PolarHBondContact O-N 3.46Å; L305-I307 VanDerWaalsContact C-N 3.3Å; L305-I307 PolarHBondContact O-N 3.45Å; L305-G309 PolarHBondContact O-N 2.95Å
306	K	52.3	Low	57.7	Low	67 Å²	67	69.1 Å²	69.1	29%	0.291	39%	0.393	S	S	.	.	H	α-helix	trans	-63	-33.8	174.4	-82.6	-177.6	174.4	-173.1	0	113.1	N271 C273 I302	N271-K306 VanDerWaalsContact O-CD 3.3Å; N271-K306 WeakPolarHBondContact O-CD 3.39Å; N271-K306 WeakPolarHBondContact O-CE 3.31Å; N271-K306 PolarHBondContact O-NZ 3.2Å; C273-K306 PolarHBondContact O-NZ 3.48Å; I302-K306 WeakPolarHBondContact O-CG 3.33Å; I302-K306 PolarHBondContact O-N 3.14Å
307	I	50.8	Low	59.9	Low	73 Å²	73	64.2 Å²	64.2	37%	0.374	37%	0.37	S	S	.	.	H	α-helix	trans	-90.4	-34.2	-178.2	-62.5	177.8	0	0	0	112.1	N282 A303 S304 L305 G309 V313	N282-I307 WeakPolarHBondContact ND2-CD1 3.44Å; A303-I307 WeakPolarHBondContact O-CG1 3.28Å; S304-I307 PolarHBondContact O-N 3.46Å; L305-I307 VanDerWaalsContact C-N 3.3Å; L305-I307 PolarHBondContact O-N 3.45Å; I307-G309 CarbonylContact C-O 3.57Å; I307-G309 VanDerWaalsContact O-O 3.1Å; I307-V313 HydrophobicContact CD1-CG2 4.5Å; I307-V313 HydrophobicContact CG1-CG1 3.86Å; I307-V313 HydrophobicContact CG1-CG2 4.14Å
308	N	49.5	Very low	62.2	Low	133 Å²	133	62.1 Å²	62.1	71%	0.711	36%	0.358	S	S	*	.	H	α-helix	trans	-78.3	-23.6	177.3	-73.3	-16	0	0	0	112.6	S304 S310	S304-N308 VanDerWaalsContact O-CB 3.25Å; S304-N308 WeakPolarHBondContact O-CB 3.37Å; S304-N308 VanDerWaalsContact O-CG 3.31Å; S304-N308 PolarHBondContact O-N 2.91Å; N308-S310 PolarHBondContact O-N 3.29Å
309	G	50	Low	64.6	Low	38 Å²	38	57.9 Å²	57.9	39%	0.392	33%	0.332	S	S	.	.	S	Bend	trans	-59.8	132.6	158.8	0	0	0	0	0	108	L305 I307 G311	L305-G309 PolarHBondContact O-N 2.95Å; I307-G309 CarbonylContact C-O 3.57Å; I307-G309 VanDerWaalsContact O-O 3.1Å; G309-G311 PolarHBondContact O-N 3Å
310	S	50	Low	66.9	Low	136 Å²	136	52 Å²	52	95%	0.951	30%	0.3	S	S	*	.	S	Bend	trans	-59.7	19.2	-167.8	61.5	0	0	0	0	117.6	N308	N308-S310 PolarHBondContact O-N 3.29Å
311	G	62.6	Low	69.3	Low	39 Å²	39	50.8 Å²	50.8	40%	0.402	29%	0.294	S	S	.	.	S	Bend	trans	-103.8	142.7	-177	0	0	0	0	0	113.2	G309 V313	G309-G311 PolarHBondContact O-N 3Å; G311-V313 PolarHBondContact O-N 2.83Å
312	K	72.9	Confident	71.6	Confident	156 Å²	156	49.3 Å²	49.3	68%	0.678	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-60.7	133.5	166.2	-69	-179.3	178.4	178.7	0	109.4	F314	K312-F314 HydrophobicContact CB-CE1 4.39Å; K312-F314 HydrophobicContact CB-CE2 4.42Å; K312-F314 HydrophobicContact CB-CZ 3.9Å
313	V	80.8	Confident	73.8	Confident	36 Å²	36	48.2 Å²	48.2	22%	0.218	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-95.3	149	171.8	-67.2	0	0	0	0	110.9	S272 V274 I307 G311	S272-V313 WeakPolarHBondContact O-CA 3.37Å; S272-V313 WeakPolarHBondContact O-CB 3.41Å; V274-V313 HydrophobicContact CG1-CB 4.07Å; V274-V313 HydrophobicContact CG1-CG1 4.23Å; V274-V313 HydrophobicContact CG1-CG2 4.47Å; V274-V313 HydrophobicContact CG2-CB 4.3Å; V274-V313 HydrophobicContact CG2-CG2 4.35Å; I307-V313 HydrophobicContact CD1-CG2 4.5Å; I307-V313 HydrophobicContact CG1-CG1 3.86Å; I307-V313 HydrophobicContact CG1-CG2 4.14Å; G311-V313 PolarHBondContact O-N 2.83Å
314	F	86.3	Confident	76.2	Confident	31 Å²	31	49.2 Å²	49.2	14%	0.136	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	147	-177	-57.5	-71.7	0	0	0	110.8	S272 C273 V274 K312 E318 E319 L655	S272-F314 PolarHBondContact O-N 3.48Å; C273-F314 WeakPolarHBondContact CA-O 3.28Å; V274-F314 WeakPolarHBondContact CG2-O 3.41Å; V274-F314 PolarHBondContact N-O 3.15Å; K312-F314 HydrophobicContact CB-CE1 4.39Å; K312-F314 HydrophobicContact CB-CE2 4.42Å; K312-F314 HydrophobicContact CB-CZ 3.9Å; F314-E318 HydrophobicContact CB-CB 4.44Å; F314-E319 HydrophobicContact CB-CG 4.11Å; F314-L655 HydrophobicContact CB-CD2 3.95Å; F314-L655 HydrophobicContact CD1-CB 4.46Å; F314-L655 HydrophobicContact CD1-CD2 3.75Å; F314-L655 HydrophobicContact CD2-CD2 4.15Å; F314-L655 HydrophobicContact CE1-CB 4.19Å; F314-L655 HydrophobicContact CE1-CD2 4.32Å; F314-L655 HydrophobicContact CE2-CB 4.28Å; F314-L655 HydrophobicContact CG-CD2 3.66Å; F314-L655 HydrophobicContact CZ-CB 4.11Å; F314-L655 WeakPolarHBondContact CZ-O 3.49Å
315	S	88.6	Confident	78.5	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.007	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	152.6	178.6	84.7	0	0	0	0	111.6	V274 T317 E318 E319 E500	V274-S315 CarbonylContact O-C 3.6Å; V274-S315 WeakPolarHBondContact O-CA 3.35Å; S315-T317 PolarHBondContact O-N 3.32Å; S315-T317 PolarHBondContact OG-N 3.37Å; S315-E318 PolarHBondContact N-OE2 2.91Å; S315-E318 WeakPolarHBondContact O-CB 3.48Å; S315-E318 PolarHBondContact O-N 2.94Å; S315-E318 VanDerWaalsContact O-N 3.11Å; S315-E318 WeakPolarHBondContact OG-CG 3.26Å; S315-E318 PolarHBondContact OG-N 3.37Å; S315-E318 VanDerWaalsContact OG-N 3.12Å; S315-E319 PolarHBondContact O-N 3.42Å; S315-E500 WeakPolarHBondContact CB-OE2 3.3Å; S315-E500 PolarHBondContact OG-OE2 2.85Å
316	S	92.9	Very high	80.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-54.2	-33.1	173.6	55.3	0	0	0	0	112.3	W261 V274 Y320	W261-S316 CarbonylContact O-C 3.53Å; W261-S316 VanDerWaalsContact O-CB 3.23Å; W261-S316 WeakPolarHBondContact O-CB 3.01Å; W261-S316 PolarHBondContact O-OG 3.27Å; V274-S316 PolarHBondContact O-N 2.93Å; S316-Y320 VanDerWaalsContact O-CB 3.32Å; S316-Y320 WeakPolarHBondContact O-CB 3.34Å; S316-Y320 PolarHBondContact O-N 2.89Å
317	T	93.2	Very high	83	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-74.1	-39.9	176.7	-39.3	0	0	0	0	113	W261 S315 Y320 F321 I496 P499 E500	W261-T317 HydrophobicContact CB-CG2 4.19Å; W261-T317 HydrophobicContact CG-CG2 4.27Å; S315-T317 PolarHBondContact O-N 3.32Å; S315-T317 PolarHBondContact OG-N 3.37Å; T317-Y320 PolarHBondContact O-N 3.41Å; T317-F321 PolarHBondContact O-N 2.95Å; T317-I496 HydrophobicContact CG2-CG2 4.46Å; T317-I496 VanDerWaalsContact CG2-O 3.28Å; T317-I496 WeakPolarHBondContact CG2-O 3.23Å; T317-P499 HydrophobicContact CG2-CB 3.73Å; T317-P499 HydrophobicContact CG2-CG 4.45Å; T317-E500 HydrophobicContact CG2-CB 4.45Å
318	E	91.8	Very high	85.1	Confident	50 Å²	50	36.7 Å²	36.7	23%	0.234	21%	0.207	C	C	.	.	H	α-helix	trans	-59.3	-48.9	173	-75.2	177.6	101	0	0	110.7	F314 S315 Y320 F321 Y322 I496 L655	F314-E318 HydrophobicContact CB-CB 4.44Å; S315-E318 PolarHBondContact N-OE2 2.91Å; S315-E318 WeakPolarHBondContact O-CB 3.48Å; S315-E318 PolarHBondContact O-N 2.94Å; S315-E318 VanDerWaalsContact O-N 3.11Å; S315-E318 WeakPolarHBondContact OG-CG 3.26Å; S315-E318 PolarHBondContact OG-N 3.37Å; S315-E318 VanDerWaalsContact OG-N 3.12Å; E318-Y320 VanDerWaalsContact C-N 3.33Å; E318-Y320 PolarHBondContact O-N 3.25Å; E318-F321 PolarHBondContact O-N 3.02Å; E318-Y322 VanDerWaalsContact O-CD2 3.26Å; E318-Y322 WeakPolarHBondContact O-CD2 3.36Å; E318-Y322 PolarHBondContact O-N 3.31Å; E318-I496 HydrophobicContact CB-CG2 4.21Å; E318-I496 HydrophobicContact CG-CD1 4.31Å; E318-I496 HydrophobicContact CG-CG2 3.38Å; E318-L655 HydrophobicContact CB-CD2 4.2Å
319	E	95	Very high	87.2	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-67.6	-33.3	178.2	-70.8	-161.7	173.3	0	0	112.5	N269 T270 C273 F314 S315 R323 R324 L655	N269-E319 WeakPolarHBondContact CA-OE2 3.27Å; N269-E319 WeakPolarHBondContact CB-OE2 3.39Å; N269-E319 PolarHBondContact ND2-OE2 3.47Å; T270-E319 WeakPolarHBondContact CB-OE1 3.31Å; T270-E319 PolarHBondContact N-OE2 3.03Å; T270-E319 PolarHBondContact OG1-OE1 3.17Å; C273-E319 WeakPolarHBondContact CB-OE2 3.31Å; C273-E319 PolarHBondContact N-OE1 3.21Å; F314-E319 HydrophobicContact CB-CG 4.11Å; S315-E319 PolarHBondContact O-N 3.42Å; E319-R323 VanDerWaalsContact O-CA 3.32Å; E319-R323 WeakPolarHBondContact O-CA 3.42Å; E319-R323 WeakPolarHBondContact O-CB 3.46Å; E319-R323 PolarHBondContact O-N 3.23Å; E319-R324 PolarHBondContact O-N 3.23Å; E319-L655 HydrophobicContact CG-CD2 4.46Å
320	Y	97	Very high	89.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.	I	π-helix	trans	-60.4	-51.1	172.6	177.4	-98.5	0	0	0	111	F249 Y250 D253 P260 W261 W268 S316 T317 E318 R324 V325	F249-Y320 WeakPolarHBondContact CE1-OH 3.43Å; Y250-Y320 AromaticContact CD1-CE1 3.83Å; Y250-Y320 HydrophobicContact CD1-CE1 3.83Å; Y250-Y320 HydrophobicContact CD2-CE1 4.2Å; Y250-Y320 AromaticContact CE1-CD1 3.71Å; Y250-Y320 HydrophobicContact CE1-CD1 3.71Å; Y250-Y320 AromaticContact CE1-CE1 3.41Å; Y250-Y320 HydrophobicContact CE1-CE1 3.41Å; Y250-Y320 VanDerWaalsContact CE1-CE1 3.41Å; Y250-Y320 HydrophobicContact CE2-CD1 4.34Å; Y250-Y320 AromaticContact CE2-CE1 3.8Å; Y250-Y320 HydrophobicContact CE2-CE1 3.8Å; Y250-Y320 HydrophobicContact CG-CE1 4.23Å; Y250-Y320 AromaticContact CZ-CD1 3.59Å; Y250-Y320 AromaticContact CZ-CE1 3.38Å; Y250-Y320 WeakPolarHBondContact OH-CD1 3.27Å; D253-Y320 VanDerWaalsContact CB-OH 3.23Å; D253-Y320 WeakPolarHBondContact CB-OH 3.29Å; D253-Y320 VanDerWaalsContact CG-OH 3.28Å; D253-Y320 PolarHBondContact OD2-OH 3.46Å; P260-Y320 HydrophobicContact CB-CD2 4.36Å; P260-Y320 HydrophobicContact CB-CE2 3.93Å; P260-Y320 HydrophobicContact CG-CD2 4.34Å; P260-Y320 HydrophobicContact CG-CE2 3.55Å; W261-Y320 HydrophobicContact CB-CD1 3.9Å; W261-Y320 HydrophobicContact CB-CD2 4.18Å; W261-Y320 HydrophobicContact CB-CG 3.65Å; W261-Y320 HydrophobicContact CD2-CD1 4.41Å; W261-Y320 HydrophobicContact CD2-CE1 4.38Å; W261-Y320 AromaticContact CE3-CD1 3.88Å; W261-Y320 HydrophobicContact CE3-CD1 3.88Å; W261-Y320 AromaticContact CE3-CE1 3.46Å; W261-Y320 HydrophobicContact CE3-CE1 3.46Å; W261-Y320 VanDerWaalsContact CE3-CE1 3.46Å; W261-Y320 HydrophobicContact CE3-CE2 4.15Å; W261-Y320 HydrophobicContact CE3-CG 4.39Å; W261-Y320 AromaticContact CE3-CZ 3.61Å; W261-Y320 HydrophobicContact CG-CD1 4.47Å; W261-Y320 AromaticContact CZ3-CE1 3.99Å; W261-Y320 HydrophobicContact CZ3-CE1 3.99Å; W268-Y320 AromaticContact CZ2-CD2 3.84Å; W268-Y320 HydrophobicContact CZ2-CD2 3.84Å; W268-Y320 HydrophobicContact CZ2-CE2 4.35Å; S316-Y320 VanDerWaalsContact O-CB 3.32Å; S316-Y320 WeakPolarHBondContact O-CB 3.34Å; S316-Y320 PolarHBondContact O-N 2.89Å; T317-Y320 PolarHBondContact O-N 3.41Å; E318-Y320 VanDerWaalsContact C-N 3.33Å; E318-Y320 PolarHBondContact O-N 3.25Å; Y320-R324 HydrophobicContact CD2-CB 3.87Å; Y320-R324 HydrophobicContact CD2-CG 3.83Å; Y320-R324 HydrophobicContact CE2-CB 4.19Å; Y320-R324 HydrophobicContact CE2-CG 3.64Å; Y320-R324 HydrophobicContact CG-CB 4.47Å; Y320-R324 WeakPolarHBondContact O-CA 3.45Å; Y320-R324 VanDerWaalsContact O-CB 3.22Å; Y320-R324 WeakPolarHBondContact O-CB 3.26Å; Y320-R324 PolarHBondContact O-N 2.96Å; Y320-V325 HydrophobicContact CD1-CG2 3.88Å; Y320-V325 HydrophobicContact CE1-CG2 3.47Å; Y320-V325 VanDerWaalsContact CE1-CG2 3.47Å; Y320-V325 PolarHBondContact O-N 3.39Å
321	F	97.2	Very high	91.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.149	C	C	.	.	I	π-helix	trans	-60.9	-55.6	179.4	-175.9	-115.3	0	0	0	111.7	W246 Y250 T317 E318 V325 L326 F495 I496 Y573	W246-F321 HydrophobicContact CD2-CE2 4.18Å; W246-F321 HydrophobicContact CD2-CZ 4.46Å; W246-F321 AromaticContact CE3-CE2 3.95Å; W246-F321 HydrophobicContact CE3-CE2 3.95Å; W246-F321 AromaticContact CE3-CZ 3.96Å; W246-F321 HydrophobicContact CE3-CZ 3.96Å; W246-F321 HydrophobicContact CH2-CZ 4.26Å; W246-F321 HydrophobicContact CZ3-CE2 4.33Å; W246-F321 AromaticContact CZ3-CZ 3.86Å; W246-F321 HydrophobicContact CZ3-CZ 3.86Å; Y250-F321 HydrophobicContact CE2-CD2 4.09Å; Y250-F321 WeakPolarHBondContact OH-CB 3.06Å; Y250-F321 WeakPolarHBondContact OH-CD2 3.49Å; T317-F321 PolarHBondContact O-N 2.95Å; E318-F321 PolarHBondContact O-N 3.02Å; F321-V325 HydrophobicContact CD2-CB 4.45Å; F321-V325 WeakPolarHBondContact O-CB 3.47Å; F321-V325 PolarHBondContact O-N 2.89Å; F321-L326 HydrophobicContact CD1-CD1 3.98Å; F321-L326 HydrophobicContact CE1-CD1 3.55Å; F321-L326 HydrophobicContact CE1-CG 4.4Å; F321-L326 HydrophobicContact CE2-CD1 4.4Å; F321-L326 HydrophobicContact CE2-CG 4.44Å; F321-L326 HydrophobicContact CZ-CD1 3.79Å; F321-L326 HydrophobicContact CZ-CD2 4.47Å; F321-L326 HydrophobicContact CZ-CG 4.27Å; F321-L326 WeakPolarHBondContact O-CG 3.14Å; F321-L326 PolarHBondContact O-N 3Å; F321-F495 HydrophobicContact CD2-CB 3.5Å; F321-F495 HydrophobicContact CD2-CG 4.21Å; F321-F495 HydrophobicContact CE2-CB 3.59Å; F321-F495 HydrophobicContact CE2-CD2 4.11Å; F321-F495 AromaticContact CE2-CG 3.88Å; F321-F495 HydrophobicContact CE2-CG 3.88Å; F321-F495 HydrophobicContact CG-CB 4.15Å; F321-F495 HydrophobicContact CZ-CB 4.3Å; F321-I496 HydrophobicContact CB-CD1 4.28Å; F321-I496 HydrophobicContact CB-CG1 3.84Å; F321-I496 HydrophobicContact CD1-CD1 3.95Å; F321-I496 HydrophobicContact CD1-CG1 4.14Å; F321-I496 HydrophobicContact CG-CD1 4.42Å; F321-I496 HydrophobicContact CG-CG1 4.14Å; F321-Y573 HydrophobicContact CE1-CD2 4.25Å; F321-Y573 HydrophobicContact CE1-CE2 4.16Å; F321-Y573 HydrophobicContact CZ-CD2 4.37Å; F321-Y573 HydrophobicContact CZ-CE2 4.44Å
322	Y	96.4	Very high	93.1	Very high	16 Å²	16	36.3 Å²	36.3	6%	0.063	16%	0.162	C	C	.	.	I	π-helix	trans	-75.9	-37.2	-172.6	-67.5	-60.8	0	0	0	113.6	E318 L326 Q327 I328 I496 Y573 V654 L655	E318-Y322 VanDerWaalsContact O-CD2 3.26Å; E318-Y322 WeakPolarHBondContact O-CD2 3.36Å; E318-Y322 PolarHBondContact O-N 3.31Å; Y322-L326 HydrophobicContact CD1-CD1 3.72Å; Y322-L326 HydrophobicContact CE1-CD1 4.2Å; Y322-Q327 WeakPolarHBondContact O-CA 3.29Å; Y322-Q327 PolarHBondContact O-N 2.99Å; Y322-I328 WeakPolarHBondContact O-CG2 3.3Å; Y322-I328 PolarHBondContact O-N 3.44Å; Y322-I496 HydrophobicContact CD2-CD1 4.28Å; Y322-I496 HydrophobicContact CE2-CD1 3.53Å; Y322-Y573 HydrophobicContact CE1-CD1 4.43Å; Y322-Y573 HydrophobicContact CE1-CE1 4.25Å; Y322-V654 HydrophobicContact CD1-CB 4.31Å; Y322-V654 HydrophobicContact CD1-CG1 3.23Å; Y322-V654 HydrophobicContact CD1-CG2 4.21Å; Y322-V654 HydrophobicContact CD2-CG1 3.91Å; Y322-V654 HydrophobicContact CE1-CB 4.18Å; Y322-V654 HydrophobicContact CE1-CG1 3.54Å; Y322-V654 HydrophobicContact CE1-CG2 3.75Å; Y322-V654 HydrophobicContact CE2-CG1 4.15Å; Y322-V654 HydrophobicContact CG-CG1 3.44Å; Y322-V654 VanDerWaalsContact CG-CG1 3.44Å; Y322-L655 HydrophobicContact CD2-CD2 3.92Å; Y322-L655 HydrophobicContact CD2-CG 3.87Å; Y322-L655 HydrophobicContact CG-CG 4.24Å
323	R	96.9	Very high	94.1	Very high	65 Å²	65	29.2 Å²	29.2	25%	0.245	13%	0.133	C	C	.	.	I	π-helix	trans	-101.3	-24.9	-172.8	-55.4	-177.2	61.7	93.9	1.5	115.1	W268 T270 E319 Q327 Q329 L655	W268-R323 HydrophobicContact CB-CB 4.13Å; W268-R323 WeakPolarHBondContact O-CD 3.29Å; W268-R323 PolarHBondContact O-NE 2.77Å; T270-R323 VanDerWaalsContact CG2-CZ 3.4Å; E319-R323 VanDerWaalsContact O-CA 3.32Å; E319-R323 WeakPolarHBondContact O-CA 3.42Å; E319-R323 WeakPolarHBondContact O-CB 3.46Å; E319-R323 PolarHBondContact O-N 3.23Å; R323-Q327 WeakPolarHBondContact O-CG 3.35Å; R323-Q329 VanDerWaalsContact CA-OE1 3.27Å; R323-Q329 PolarHBondContact O-NE2 2.95Å; R323-L655 HydrophobicContact CG-CD1 3.83Å
324	R	97.3	Very high	94.7	Very high	31 Å²	31	29 Å²	29	12%	0.117	13%	0.129	C	C	.	.	I	π-helix	trans	-98.8	-50.9	176.8	173.1	57.6	-167.3	116.8	-9.6	113.1	W268 E319 Y320 R341 E343	W268-R324 HydrophobicContact CB-CB 4.19Å; W268-R324 HydrophobicContact CD2-CB 3.6Å; W268-R324 HydrophobicContact CD2-CG 3.96Å; W268-R324 HydrophobicContact CE3-CB 4.13Å; W268-R324 HydrophobicContact CE3-CG 4.02Å; W268-R324 HydrophobicContact CG-CB 3.63Å; W268-R324 HydrophobicContact CG-CG 4.48Å; W268-R324 HydrophobicContact CH2-CG 4.32Å; W268-R324 HydrophobicContact CZ2-CB 4.41Å; W268-R324 HydrophobicContact CZ2-CG 4.27Å; W268-R324 HydrophobicContact CZ3-CG 4.19Å; E319-R324 PolarHBondContact O-N 3.23Å; Y320-R324 HydrophobicContact CD2-CB 3.87Å; Y320-R324 HydrophobicContact CD2-CG 3.83Å; Y320-R324 HydrophobicContact CE2-CB 4.19Å; Y320-R324 HydrophobicContact CE2-CG 3.64Å; Y320-R324 HydrophobicContact CG-CB 4.47Å; Y320-R324 WeakPolarHBondContact O-CA 3.45Å; Y320-R324 VanDerWaalsContact O-CB 3.22Å; Y320-R324 WeakPolarHBondContact O-CB 3.26Å; Y320-R324 PolarHBondContact O-N 2.96Å; R324-R341 PolarHBondContact O-NH2 3.41Å; R324-E343 IonicContact CZ-OE1 3.57Å; R324-E343 IonicContact NH1-OE1 3.63Å; R324-E343 PolarHBondContact NH1-OE1 3.28Å; R324-E343 IonicContact NH2-OE1 2.77Å; R324-E343 PolarHBondContact NH2-OE1 3.03Å
325	V	98	Very high	95.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.154	C	C	.	.	I	π-helix	trans	-73.1	-62.7	-177.1	-178.3	0	0	0	0	108.3	W246 F249 Y250 Y320 F321 R341 I344	W246-V325 HydrophobicContact CG-CG1 4.47Å; F249-V325 HydrophobicContact CD1-CG1 4.18Å; F249-V325 HydrophobicContact CD1-CG2 3.92Å; F249-V325 HydrophobicContact CE1-CB 4.46Å; F249-V325 HydrophobicContact CE1-CG2 3.81Å; Y250-V325 HydrophobicContact CD2-CG2 4.35Å; Y250-V325 HydrophobicContact CE2-CG1 4.39Å; Y250-V325 HydrophobicContact CE2-CG2 3.68Å; Y320-V325 HydrophobicContact CD1-CG2 3.88Å; Y320-V325 HydrophobicContact CE1-CG2 3.47Å; Y320-V325 VanDerWaalsContact CE1-CG2 3.47Å; Y320-V325 PolarHBondContact O-N 3.39Å; F321-V325 HydrophobicContact CD2-CB 4.45Å; F321-V325 WeakPolarHBondContact O-CB 3.47Å; F321-V325 PolarHBondContact O-N 2.89Å; V325-R341 PolarHBondContact O-NE 3.41Å; V325-R341 VanDerWaalsContact O-NE 3.11Å; V325-R341 PolarHBondContact O-NH2 3.47Å; V325-I344 HydrophobicContact CG1-CD1 3.8Å
326	L	97.7	Very high	95.4	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.021	17%	0.172	C	C	.	.	S	Bend	trans	-76.6	-36.6	-178.6	-59.3	176.8	0	0	0	112.9	W246 F321 Y322 I328 R341 C570 Y573	W246-L326 HydrophobicContact CH2-CD2 4.33Å; W246-L326 HydrophobicContact CZ2-CD2 3.51Å; F321-L326 HydrophobicContact CD1-CD1 3.98Å; F321-L326 HydrophobicContact CE1-CD1 3.55Å; F321-L326 HydrophobicContact CE1-CG 4.4Å; F321-L326 HydrophobicContact CE2-CD1 4.4Å; F321-L326 HydrophobicContact CE2-CG 4.44Å; F321-L326 HydrophobicContact CZ-CD1 3.79Å; F321-L326 HydrophobicContact CZ-CD2 4.47Å; F321-L326 HydrophobicContact CZ-CG 4.27Å; F321-L326 WeakPolarHBondContact O-CG 3.14Å; F321-L326 PolarHBondContact O-N 3Å; Y322-L326 HydrophobicContact CD1-CD1 3.72Å; Y322-L326 HydrophobicContact CE1-CD1 4.2Å; L326-I328 VanDerWaalsContact C-N 3.27Å; L326-I328 PolarHBondContact O-N 3.28Å; L326-R341 WeakPolarHBondContact O-CD 3.39Å; L326-R341 WeakPolarHBondContact O-CG 3.4Å; L326-R341 PolarHBondContact O-NE 3.04Å; L326-C570 WeakPolarHBondContact O-CA 3.49Å; L326-Y573 HydrophobicContact CD1-CD2 4.17Å; L326-Y573 HydrophobicContact CD1-CG 4.09Å
327	Q	97.4	Very high	95.6	Very high	25 Å²	25	38.7 Å²	38.7	12%	0.117	18%	0.183	C	C	.	.			trans	52.1	43.6	-167.8	-57.5	-179	-8.4	0	0	113.3	W267 Y322 R323 Q329 Y330 R341 C570	W267-Q327 HydrophobicContact CH2-CG 4.35Å; Y322-Q327 WeakPolarHBondContact O-CA 3.29Å; Y322-Q327 PolarHBondContact O-N 2.99Å; R323-Q327 WeakPolarHBondContact O-CG 3.35Å; Q327-Q329 VanDerWaalsContact CA-OE1 3.29Å; Q327-Q329 PolarHBondContact O-N 3.29Å; Q327-Y330 HydrophobicContact CB-CD2 3.62Å; Q327-Y330 HydrophobicContact CB-CE2 3.91Å; Q327-Y330 HydrophobicContact CG-CD2 4.38Å; Q327-Y330 HydrophobicContact CG-CE2 4.22Å; Q327-Y330 PolarHBondContact O-N 2.85Å; Q327-R341 VanDerWaalsContact CD-NE 3.34Å; Q327-R341 VanDerWaalsContact CG-CZ 3.4Å; Q327-R341 VanDerWaalsContact CG-NE 3.3Å; Q327-R341 VanDerWaalsContact OE1-CZ 3.25Å; Q327-C570 WeakPolarHBondContact O-CB 3.28Å
328	I	95.9	Very high	95.8	Very high	8 Å²	8	39.5 Å²	39.5	4%	0.041	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-60.2	-20	-175.9	-160.6	171.4	0	0	0	113.6	Y322 L326 Y330 A331 C570 V654 Y659	Y322-I328 WeakPolarHBondContact O-CG2 3.3Å; Y322-I328 PolarHBondContact O-N 3.44Å; L326-I328 VanDerWaalsContact C-N 3.27Å; L326-I328 PolarHBondContact O-N 3.28Å; I328-Y330 PolarHBondContact O-N 3.09Å; I328-Y330 VanDerWaalsContact O-N 3.09Å; I328-A331 PolarHBondContact O-N 3.07Å; I328-C570 WeakPolarHBondContact CA-O 3.34Å; I328-V654 HydrophobicContact CD1-CB 4.23Å; I328-V654 HydrophobicContact CD1-CG1 3.96Å; I328-V654 HydrophobicContact CD1-CG2 3.99Å; I328-V654 HydrophobicContact CG2-CG1 4.01Å; I328-Y659 HydrophobicContact CD1-CE2 4.43Å
329	Q	94.3	Very high	96.1	Very high	54 Å²	54	41.1 Å²	41.1	25%	0.252	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-60.6	-15.2	173.7	68.6	-84.7	12.4	0	0	114.3	R323 Q327	R323-Q329 VanDerWaalsContact CA-OE1 3.27Å; R323-Q329 PolarHBondContact O-NE2 2.95Å; Q327-Q329 VanDerWaalsContact CA-OE1 3.29Å; Q327-Q329 PolarHBondContact O-N 3.29Å
330	Y	95.9	Very high	96.2	Very high	128 Å²	128	45.2 Å²	45.2	50%	0.502	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-98	13.1	174.1	-54.3	-55.5	0	0	0	112.9	Q327 I328	Q327-Y330 HydrophobicContact CB-CD2 3.62Å; Q327-Y330 HydrophobicContact CB-CE2 3.91Å; Q327-Y330 HydrophobicContact CG-CD2 4.38Å; Q327-Y330 HydrophobicContact CG-CE2 4.22Å; Q327-Y330 PolarHBondContact O-N 2.85Å; I328-Y330 PolarHBondContact O-N 3.09Å; I328-Y330 VanDerWaalsContact O-N 3.09Å
331	A	96.1	Very high	96.3	Very high	11 Å²	11	45.7 Å²	45.7	9%	0.091	23%	0.229	C	C	.	.			trans	-118	153.9	172.4	0	0	0	0	0	110.5	I328 C570	I328-A331 PolarHBondContact O-N 3.07Å; A331-C570 HydrophobicContact CB-CB 4.1Å
332	E	93.9	Very high	96.3	Very high	146 Å²	146	53.6 Å²	53.6	68%	0.682	26%	0.259	S	S	*	.			trans	-121.1	50.5	-178.5	-55.4	171.4	155.6	0	0	109.8	N336	E332-N336 HydrophobicContact CB-CB 4.18Å; E332-N336 PolarHBondContact N-O 2.62Å; E332-N336 PolarHBondContact OE2-ND2 3.27Å
333	G	93.4	Very high	96.4	Very high	7 Å²	7	54 Å²	54	7%	0.072	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	72.5	-154.2	179.8	0	0	0	0	0	114.1	N335 N336	G333-N335 VanDerWaalsContact C-N 3.33Å; G333-N335 PolarHBondContact O-N 3.01Å; G333-N336 CarbonylContact O-C 3.54Å; G333-N336 PolarHBondContact O-N 3.13Å
334	Y	94	Very high	96.4	Very high	31 Å²	31	51 Å²	51	12%	0.122	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-64.8	-32.7	-174.6	-69.5	-77.1	0	0	0	113.9	N336 L574 P661 W664 V665	Y334-N336 VanDerWaalsContact C-N 3.3Å; Y334-N336 PolarHBondContact O-N 3.01Å; Y334-L574 HydrophobicContact CD1-CB 4.07Å; Y334-L574 HydrophobicContact CD1-CD1 4.37Å; Y334-L574 HydrophobicContact CE1-CB 3.69Å; Y334-L574 HydrophobicContact CE1-CD1 4.47Å; Y334-L574 HydrophobicContact CE1-CG 4.49Å; Y334-L574 HydrophobicContact CG-CD1 4.39Å; Y334-P661 HydrophobicContact CE2-CB 4.49Å; Y334-W664 VanDerWaalsContact O-CZ2 3.3Å; Y334-W664 WeakPolarHBondContact O-CZ2 3.36Å; Y334-V665 HydrophobicContact CD1-CG1 3.94Å; Y334-V665 HydrophobicContact CD1-CG2 3.79Å; Y334-V665 HydrophobicContact CD2-CG2 4.08Å; Y334-V665 HydrophobicContact CE1-CG1 3.86Å; Y334-V665 HydrophobicContact CE1-CG2 4.49Å; Y334-V665 HydrophobicContact CG-CG1 4.37Å; Y334-V665 HydrophobicContact CG-CG2 3.56Å
335	N	94.1	Very high	96.5	Very high	124 Å²	124	50 Å²	50	66%	0.663	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-72.4	-25.4	-175.9	-66.2	-29.6	0	0	0	112.7	G333 W664	G333-N335 VanDerWaalsContact C-N 3.33Å; G333-N335 PolarHBondContact O-N 3.01Å; N335-W664 PolarHBondContact OD1-NE1 3.34Å
336	N	95.7	Very high	96.5	Very high	74 Å²	74	54.9 Å²	54.9	40%	0.396	27%	0.274	S	S	.	.			trans	-148.3	94.2	179.4	175.7	12.2	0	0	0	109.1	E332 G333 Y334 G338	E332-N336 HydrophobicContact CB-CB 4.18Å; E332-N336 PolarHBondContact N-O 2.62Å; E332-N336 PolarHBondContact OE2-ND2 3.27Å; G333-N336 CarbonylContact O-C 3.54Å; G333-N336 PolarHBondContact O-N 3.13Å; Y334-N336 VanDerWaalsContact C-N 3.3Å; Y334-N336 PolarHBondContact O-N 3.01Å; N336-G338 PolarHBondContact O-N 2.98Å; N336-G338 PolarHBondContact OD1-N 3.28Å; N336-G338 VanDerWaalsContact OD1-N 3.12Å
337	V	96.4	Very high	96.6	Very high	37 Å²	37	55.1 Å²	55.1	22%	0.224	28%	0.276	C	S	.	.			trans	-76.2	4.7	-179.8	-61.3	0	0	0	0	113.2	T569 C570 G571 V575	V337-T569 HydrophobicContact CG2-CG2 4.03Å; V337-T569 WeakPolarHBondContact CG2-OG1 3.44Å; V337-C570 PolarHBondContact O-N 3.03Å; V337-G571 WeakPolarHBondContact O-CA 3.39Å; V337-G571 PolarHBondContact O-N 3.25Å; V337-V575 HydrophobicContact CG1-CG2 4.04Å
338	G	97.1	Very high	96.6	Very high	18 Å²	18	54 Å²	54	19%	0.186	27%	0.271	C	S	.	.			trans	68.7	-173.7	-179.8	0	0	0	0	0	113.8	N336	N336-G338 PolarHBondContact O-N 2.98Å; N336-G338 PolarHBondContact OD1-N 3.28Å; N336-G338 VanDerWaalsContact OD1-N 3.12Å
339	P	97.7	Very high	96.8	Very high	84 Å²	84	57.9 Å²	57.9	55%	0.545	29%	0.29	S	S	.	.	S	Bend	trans	-73.9	163.5	-175.9	30.8	-35.6	0	0	0	112.5	R341 T569 C570	P339-R341 PolarHBondContact O-N 3Å; P339-T569 CarbonylContact O-C 3.56Å; P339-T569 VanDerWaalsContact O-CA 3.26Å; P339-T569 WeakPolarHBondContact O-CA 3.45Å; P339-C570 PolarHBondContact O-N 3.31Å; P339-C570 PolarHBondContact O-SG 2.8Å
340	I	98.3	Very high	97	Very high	86 Å²	86	57.2 Å²	57.2	44%	0.441	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-64.7	127.2	170.7	-67.9	175.7	0	0	0	109.7	W342 S345 L565 T569	I340-W342 PolarHBondContact O-N 2.91Å; I340-W342 VanDerWaalsContact O-N 3.15Å; I340-S345 WeakPolarHBondContact CG2-OG 3.22Å; I340-L565 HydrophobicContact CD1-CB 4.35Å; I340-T569 HydrophobicContact CG1-CG2 3.95Å
341	R	97.9	Very high	97.1	Very high	10 Å²	10	51.2 Å²	51.2	4%	0.038	27%	0.271	C	S	.	.			trans	-72.6	105.3	171.7	-63	-71.8	-66.1	115.2	13.4	108.7	R324 V325 L326 Q327 P339 E343 I344 S345 T568 C570	R324-R341 PolarHBondContact O-NH2 3.41Å; V325-R341 PolarHBondContact O-NE 3.41Å; V325-R341 VanDerWaalsContact O-NE 3.11Å; V325-R341 PolarHBondContact O-NH2 3.47Å; L326-R341 WeakPolarHBondContact O-CD 3.39Å; L326-R341 WeakPolarHBondContact O-CG 3.4Å; L326-R341 PolarHBondContact O-NE 3.04Å; Q327-R341 VanDerWaalsContact CD-NE 3.34Å; Q327-R341 VanDerWaalsContact CG-CZ 3.4Å; Q327-R341 VanDerWaalsContact CG-NE 3.3Å; Q327-R341 VanDerWaalsContact OE1-CZ 3.25Å; P339-R341 PolarHBondContact O-N 3Å; R341-E343 VanDerWaalsContact C-N 3.32Å; R341-E343 IonicContact CZ-OE1 3.72Å; R341-E343 IonicContact CZ-OE2 2.82Å; R341-E343 VanDerWaalsContact CZ-OE2 3.26Å; R341-E343 IonicContact NH1-OE1 3.44Å; R341-E343 IonicContact NH1-OE2 3.09Å; R341-E343 PolarHBondContact NH1-OE2 3.06Å; R341-E343 IonicContact NH2-OE1 2.85Å; R341-E343 PolarHBondContact NH2-OE1 2.96Å; R341-E343 VanDerWaalsContact NH2-OE1 3.09Å; R341-E343 IonicContact NH2-OE2 3.88Å; R341-E343 PolarHBondContact NH2-OE2 2.77Å; R341-E343 VanDerWaalsContact NH2-OE2 3.09Å; R341-E343 PolarHBondContact O-N 3.39Å; R341-I344 HydrophobicContact CB-CB 4.05Å; R341-I344 HydrophobicContact CB-CG1 3.89Å; R341-I344 PolarHBondContact O-N 3.24Å; R341-S345 WeakPolarHBondContact O-CB 3.4Å; R341-S345 PolarHBondContact O-N 3.14Å; R341-S345 PolarHBondContact O-OG 2.9Å; R341-T568 WeakPolarHBondContact CB-O 3.4Å; R341-T568 WeakPolarHBondContact CG-O 3.43Å; R341-T568 PolarHBondContact N-O 3.48Å; R341-C570 WeakPolarHBondContact CD-SG 3.32Å
342	W	97.8	Very high	97.2	Very high	166 Å²	166	50.9 Å²	50.9	63%	0.629	27%	0.267	S	S	*	.	H	α-helix	trans	-63.1	-37.6	-173.8	72.7	-92.1	0	0	0	112.1	I340 I344 S345 L346	I340-W342 PolarHBondContact O-N 2.91Å; I340-W342 VanDerWaalsContact O-N 3.15Å; W342-I344 PolarHBondContact O-N 3.27Å; W342-S345 PolarHBondContact O-N 3.44Å; W342-L346 HydrophobicContact CE3-CD1 3.49Å; W342-L346 VanDerWaalsContact CE3-CD1 3.49Å; W342-L346 HydrophobicContact CE3-CG 4.23Å; W342-L346 HydrophobicContact CZ3-CD1 3.45Å; W342-L346 VanDerWaalsContact CZ3-CD1 3.45Å; W342-L346 WeakPolarHBondContact O-CG 3.35Å; W342-L346 PolarHBondContact O-N 2.98Å
343	E	98.2	Very high	97.5	Very high	24 Å²	24	47.1 Å²	47.1	11%	0.112	25%	0.254	C	S	.	.	H	α-helix	trans	-65.2	-41.5	178.7	-54.9	101	115.2	0	0	112.3	F249 R324 R341 S345 L346 C347	F249-E343 HydrophobicContact CD2-CB 4.11Å; F249-E343 HydrophobicContact CE2-CB 3.68Å; F249-E343 HydrophobicContact CE2-CG 4.33Å; R324-E343 IonicContact CZ-OE1 3.57Å; R324-E343 IonicContact NH1-OE1 3.63Å; R324-E343 PolarHBondContact NH1-OE1 3.28Å; R324-E343 IonicContact NH2-OE1 2.77Å; R324-E343 PolarHBondContact NH2-OE1 3.03Å; R341-E343 VanDerWaalsContact C-N 3.32Å; R341-E343 IonicContact CZ-OE1 3.72Å; R341-E343 IonicContact CZ-OE2 2.82Å; R341-E343 VanDerWaalsContact CZ-OE2 3.26Å; R341-E343 IonicContact NH1-OE1 3.44Å; R341-E343 IonicContact NH1-OE2 3.09Å; R341-E343 PolarHBondContact NH1-OE2 3.06Å; R341-E343 IonicContact NH2-OE1 2.85Å; R341-E343 PolarHBondContact NH2-OE1 2.96Å; R341-E343 VanDerWaalsContact NH2-OE1 3.09Å; R341-E343 IonicContact NH2-OE2 3.88Å; R341-E343 PolarHBondContact NH2-OE2 2.77Å; R341-E343 VanDerWaalsContact NH2-OE2 3.09Å; R341-E343 PolarHBondContact O-N 3.39Å; E343-S345 VanDerWaalsContact C-N 3.33Å; E343-L346 PolarHBondContact O-N 3.13Å; E343-C347 PolarHBondContact O-N 3.41Å; E343-C347 PolarHBondContact O-SG 3.04Å
344	I	98.4	Very high	97.7	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-68.3	-38.3	176.8	-56.4	-50.6	0	0	0	110.2	A245 F249 V325 R341 W342 L346 C347 L348 T568	A245-I344 HydrophobicContact CB-CG2 4.27Å; F249-I344 HydrophobicContact CB-CD1 3.93Å; F249-I344 HydrophobicContact CD1-CD1 4.42Å; F249-I344 HydrophobicContact CD2-CD1 3.64Å; F249-I344 HydrophobicContact CE2-CD1 4.27Å; F249-I344 HydrophobicContact CG-CD1 3.73Å; V325-I344 HydrophobicContact CG1-CD1 3.8Å; R341-I344 HydrophobicContact CB-CB 4.05Å; R341-I344 HydrophobicContact CB-CG1 3.89Å; R341-I344 PolarHBondContact O-N 3.24Å; W342-I344 PolarHBondContact O-N 3.27Å; I344-L346 VanDerWaalsContact C-N 3.32Å; I344-L346 PolarHBondContact O-N 3.24Å; I344-C347 WeakPolarHBondContact O-CB 3.49Å; I344-C347 PolarHBondContact O-N 3.15Å; I344-L348 WeakPolarHBondContact O-CB 3.42Å; I344-L348 PolarHBondContact O-N 3.47Å; I344-T568 HydrophobicContact CG2-CG2 4.02Å
345	S	98.3	Very high	97.9	Very high	12 Å²	12	49 Å²	49	8%	0.084	26%	0.264	C	S	.	.	H	α-helix	trans	-67.1	-32.8	177.5	-57.3	0	0	0	0	112.4	I340 R341 W342 E343 L348 M349 T568	I340-S345 WeakPolarHBondContact CG2-OG 3.22Å; R341-S345 WeakPolarHBondContact O-CB 3.4Å; R341-S345 PolarHBondContact O-N 3.14Å; R341-S345 PolarHBondContact O-OG 2.9Å; W342-S345 PolarHBondContact O-N 3.44Å; E343-S345 VanDerWaalsContact C-N 3.33Å; S345-L348 PolarHBondContact O-N 3.04Å; S345-M349 WeakPolarHBondContact O-CB 3.38Å; S345-M349 PolarHBondContact O-N 3.03Å; S345-T568 PolarHBondContact OG-OG1 2.97Å
346	L	98.5	Very high	98.1	Very high	102 Å²	102	44.8 Å²	44.8	53%	0.534	24%	0.239	S	C	.	.	H	α-helix	trans	-68.5	-41.8	170.1	-71.9	-179.2	0	0	0	112.1	W342 E343 I344 L348 M349 A350	W342-L346 HydrophobicContact CE3-CD1 3.49Å; W342-L346 VanDerWaalsContact CE3-CD1 3.49Å; W342-L346 HydrophobicContact CE3-CG 4.23Å; W342-L346 HydrophobicContact CZ3-CD1 3.45Å; W342-L346 VanDerWaalsContact CZ3-CD1 3.45Å; W342-L346 WeakPolarHBondContact O-CG 3.35Å; W342-L346 PolarHBondContact O-N 2.98Å; E343-L346 PolarHBondContact O-N 3.13Å; I344-L346 VanDerWaalsContact C-N 3.32Å; I344-L346 PolarHBondContact O-N 3.24Å; L346-L348 VanDerWaalsContact C-N 3.3Å; L346-L348 PolarHBondContact O-N 2.82Å; L346-M349 WeakPolarHBondContact O-CB 3.47Å; L346-M349 PolarHBondContact O-N 3.32Å; L346-A350 PolarHBondContact O-N 3.01Å
347	C	98.8	Very high	98.3	Very high	9 Å²	9	46.2 Å²	46.2	6%	0.061	24%	0.242	C	C	.	.	H	α-helix	trans	-60.6	-42.9	173.3	-65.4	0	0	0	0	110.8	A245 L248 E343 I344 M349 A350 V351	A245-C347 HydrophobicContact CB-CB 3.97Å; A245-C347 WeakPolarHBondContact O-CB 3.29Å; L248-C347 HydrophobicContact CB-CB 4.32Å; L248-C347 HydrophobicContact CD2-CB 4.06Å; L248-C347 HydrophobicContact CG-CB 4.25Å; E343-C347 PolarHBondContact O-N 3.41Å; E343-C347 PolarHBondContact O-SG 3.04Å; I344-C347 WeakPolarHBondContact O-CB 3.49Å; I344-C347 PolarHBondContact O-N 3.15Å; C347-M349 PolarHBondContact O-N 2.71Å; C347-A350 WeakPolarHBondContact O-CB 3.28Å; C347-A350 PolarHBondContact O-N 3.02Å; C347-V351 WeakPolarHBondContact O-CG2 3.49Å; C347-V351 PolarHBondContact O-N 3.11Å
348	L	98.7	Very high	98.4	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-42.9	175.3	-175.5	68.1	0	0	0	111.6	N241 A245 I344 S345 L346 A350 V351 F352 F561 A564 T568	N241-L348 HydrophobicContact CB-CD1 3.82Å; N241-L348 WeakPolarHBondContact O-CD1 3.5Å; A245-L348 HydrophobicContact CB-CB 3.93Å; A245-L348 HydrophobicContact CB-CD1 4.23Å; I344-L348 WeakPolarHBondContact O-CB 3.42Å; I344-L348 PolarHBondContact O-N 3.47Å; S345-L348 PolarHBondContact O-N 3.04Å; L346-L348 VanDerWaalsContact C-N 3.3Å; L346-L348 PolarHBondContact O-N 2.82Å; L348-A350 VanDerWaalsContact C-N 3.33Å; L348-A350 PolarHBondContact O-N 2.84Å; L348-V351 PolarHBondContact O-N 3.14Å; L348-F352 HydrophobicContact CD1-CD2 3.88Å; L348-F352 HydrophobicContact CD1-CE2 3.56Å; L348-F352 HydrophobicContact CD2-CE2 4.32Å; L348-F352 HydrophobicContact CG-CD2 3.85Å; L348-F352 HydrophobicContact CG-CE2 3.83Å; L348-F352 WeakPolarHBondContact O-CD2 3.23Å; L348-F352 PolarHBondContact O-N 3.17Å; L348-F561 HydrophobicContact CB-CE2 4.37Å; L348-F561 HydrophobicContact CD2-CD2 3.99Å; L348-F561 HydrophobicContact CD2-CE2 3.97Å; L348-F561 HydrophobicContact CG-CD2 4.03Å; L348-F561 HydrophobicContact CG-CE2 4.08Å; L348-A564 HydrophobicContact CD1-CB 4.33Å; L348-A564 HydrophobicContact CD2-CB 3.67Å; L348-T568 HydrophobicContact CD2-CG2 3.61Å
349	M	98.7	Very high	98.4	Very high	90 Å²	90	44.2 Å²	44.2	44%	0.443	23%	0.226	S	C	.	.	H	α-helix	trans	-60.1	-43	175	-170.4	73.3	76.1	0	0	111.5	S345 L346 C347 F352 T353 F561	S345-M349 WeakPolarHBondContact O-CB 3.38Å; S345-M349 PolarHBondContact O-N 3.03Å; L346-M349 WeakPolarHBondContact O-CB 3.47Å; L346-M349 PolarHBondContact O-N 3.32Å; C347-M349 PolarHBondContact O-N 2.71Å; M349-F352 PolarHBondContact O-N 2.96Å; M349-T353 WeakPolarHBondContact O-CB 3.39Å; M349-T353 PolarHBondContact O-N 3.21Å; M349-T353 PolarHBondContact O-OG1 3.48Å; M349-F561 HydrophobicContact CB-CE2 4.03Å; M349-F561 HydrophobicContact CE-CD1 4.44Å; M349-F561 HydrophobicContact CE-CE1 3.67Å; M349-F561 HydrophobicContact CE-CE2 3.77Å; M349-F561 HydrophobicContact CE-CZ 3.29Å; M349-F561 HydrophobicContact SD-CD2 4.28Å; M349-F561 HydrophobicContact SD-CE1 4.48Å; M349-F561 HydrophobicContact SD-CE2 3.96Å; M349-F561 HydrophobicContact SD-CZ 4.07Å
350	A	98.7	Very high	98.4	Very high	41 Å²	41	43.7 Å²	43.7	34%	0.339	21%	0.214	S	C	.	.	H	α-helix	trans	-63.7	-43.1	176.6	0	0	0	0	0	111.8	L248 L346 C347 L348 T353 I354	L248-A350 HydrophobicContact CD2-CB 3.87Å; L346-A350 PolarHBondContact O-N 3.01Å; C347-A350 WeakPolarHBondContact O-CB 3.28Å; C347-A350 PolarHBondContact O-N 3.02Å; L348-A350 VanDerWaalsContact C-N 3.33Å; L348-A350 PolarHBondContact O-N 2.84Å; A350-T353 WeakPolarHBondContact O-CB 3.49Å; A350-T353 PolarHBondContact O-N 3.27Å; A350-I354 WeakPolarHBondContact O-CG1 3.34Å; A350-I354 PolarHBondContact O-N 3.47Å
351	V	98.7	Very high	98.2	Very high	2 Å²	2	44 Å²	44	1%	0.012	21%	0.212	C	C	.	.	H	α-helix	trans	-58.1	-51.8	174.4	170.6	0	0	0	0	110.7	I244 L248 C347 L348 T353 I354 V355 L524	I244-V351 HydrophobicContact CB-CG1 4.17Å; I244-V351 HydrophobicContact CB-CG2 4.21Å; I244-V351 HydrophobicContact CD1-CG1 4.36Å; I244-V351 HydrophobicContact CG2-CB 4.42Å; I244-V351 HydrophobicContact CG2-CG1 3.86Å; I244-V351 HydrophobicContact CG2-CG2 3.6Å; L248-V351 HydrophobicContact CD2-CG2 4.11Å; C347-V351 WeakPolarHBondContact O-CG2 3.49Å; C347-V351 PolarHBondContact O-N 3.11Å; L348-V351 PolarHBondContact O-N 3.14Å; V351-T353 VanDerWaalsContact C-N 3.25Å; V351-T353 PolarHBondContact O-N 3.42Å; V351-I354 WeakPolarHBondContact O-CB 3.34Å; V351-I354 PolarHBondContact O-N 3.43Å; V351-I354 VanDerWaalsContact O-N 3.13Å; V351-V355 HydrophobicContact CG1-CG2 4.43Å; V351-V355 WeakPolarHBondContact O-CG2 3.15Å; V351-V355 PolarHBondContact O-N 2.56Å; V351-L524 HydrophobicContact CG1-CD2 4.19Å
352	F	98.7	Very high	98	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.018	21%	0.21	C	C	.	.	H	α-helix	trans	-65.9	-27.5	179.4	-84.5	-63.3	0	0	0	113.5	N241 L348 M349 V355 Y356 V557 C560 F561 A564	N241-F352 HydrophobicContact CB-CE1 4.41Å; N241-F352 HydrophobicContact CB-CE2 3.91Å; N241-F352 HydrophobicContact CB-CZ 3.72Å; L348-F352 HydrophobicContact CD1-CD2 3.88Å; L348-F352 HydrophobicContact CD1-CE2 3.56Å; L348-F352 HydrophobicContact CD2-CE2 4.32Å; L348-F352 HydrophobicContact CG-CD2 3.85Å; L348-F352 HydrophobicContact CG-CE2 3.83Å; L348-F352 WeakPolarHBondContact O-CD2 3.23Å; L348-F352 PolarHBondContact O-N 3.17Å; M349-F352 PolarHBondContact O-N 2.96Å; F352-V355 PolarHBondContact O-N 2.81Å; F352-Y356 WeakPolarHBondContact O-CB 3.4Å; F352-Y356 PolarHBondContact O-N 3.23Å; F352-V557 HydrophobicContact CB-CG1 3.76Å; F352-V557 HydrophobicContact CD1-CG1 3.86Å; F352-V557 HydrophobicContact CG-CG1 4.12Å; F352-C560 HydrophobicContact CE1-CB 3.55Å; F352-C560 HydrophobicContact CZ-CB 3.69Å; F352-F561 HydrophobicContact CD2-CB 3.94Å; F352-F561 AromaticContact CD2-CD2 3.77Å; F352-F561 HydrophobicContact CD2-CD2 3.77Å; F352-F561 HydrophobicContact CD2-CG 4.37Å; F352-F561 HydrophobicContact CE2-CB 4.1Å; F352-F561 HydrophobicContact CE2-CD2 4.29Å; F352-F561 HydrophobicContact CG-CB 4.4Å; F352-A564 HydrophobicContact CE2-CB 4.2Å
353	T	98.7	Very high	97.9	Very high	66 Å²	66	35.6 Å²	35.6	41%	0.405	18%	0.18	S	C	.	.	H	α-helix	trans	-65.3	-44.8	172	-59.2	0	0	0	0	111	M349 A350 V351 V355 Y356 F357	M349-T353 WeakPolarHBondContact O-CB 3.39Å; M349-T353 PolarHBondContact O-N 3.21Å; M349-T353 PolarHBondContact O-OG1 3.48Å; A350-T353 WeakPolarHBondContact O-CB 3.49Å; A350-T353 PolarHBondContact O-N 3.27Å; V351-T353 VanDerWaalsContact C-N 3.25Å; V351-T353 PolarHBondContact O-N 3.42Å; T353-V355 VanDerWaalsContact C-N 3.34Å; T353-Y356 PolarHBondContact O-N 3.06Å; T353-F357 HydrophobicContact CG2-CD2 3.94Å; T353-F357 HydrophobicContact CG2-CE2 3.69Å; T353-F357 WeakPolarHBondContact O-CD2 3.33Å; T353-F357 PolarHBondContact O-N 3.17Å
354	I	98.4	Very high	97.6	Very high	77 Å²	77	39.5 Å²	39.5	40%	0.395	20%	0.196	S	C	.	.	H	α-helix	trans	-60.3	-46.8	173.9	-65.5	166.2	0	0	0	109.8	A350 V351 Y356 F357 S358 L524	A350-I354 WeakPolarHBondContact O-CG1 3.34Å; A350-I354 PolarHBondContact O-N 3.47Å; V351-I354 WeakPolarHBondContact O-CB 3.34Å; V351-I354 PolarHBondContact O-N 3.43Å; V351-I354 VanDerWaalsContact O-N 3.13Å; I354-Y356 PolarHBondContact O-N 3.47Å; I354-F357 PolarHBondContact O-N 3.42Å; I354-S358 WeakPolarHBondContact O-CB 3.42Å; I354-S358 PolarHBondContact O-N 3.33Å; I354-S358 PolarHBondContact O-OG 3.24Å; I354-S358 VanDerWaalsContact O-OG 3.06Å; I354-L524 HydrophobicContact CG2-CD1 3.99Å; I354-L524 HydrophobicContact CG2-CD2 4.1Å
355	V	98.6	Very high	97.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.8	-43.4	178.9	172.8	0	0	0	0	112.1	V351 F352 T353 S358 L359 L524 T527 F528 L531	V351-V355 HydrophobicContact CG1-CG2 4.43Å; V351-V355 WeakPolarHBondContact O-CG2 3.15Å; V351-V355 PolarHBondContact O-N 2.56Å; F352-V355 PolarHBondContact O-N 2.81Å; T353-V355 VanDerWaalsContact C-N 3.34Å; V355-S358 PolarHBondContact O-N 2.73Å; V355-L359 HydrophobicContact CG1-CD1 3.81Å; V355-L359 HydrophobicContact CG1-CG 4.49Å; V355-L359 WeakPolarHBondContact O-CG 3.39Å; V355-L359 PolarHBondContact O-N 2.94Å; V355-L359 VanDerWaalsContact O-N 3.08Å; V355-L524 HydrophobicContact CG2-CD2 3.79Å; V355-T527 HydrophobicContact CG1-CG2 3.94Å; V355-T527 HydrophobicContact CG2-CG2 3.71Å; V355-F528 HydrophobicContact CB-CE1 4.36Å; V355-F528 HydrophobicContact CG1-CD1 4.45Å; V355-F528 HydrophobicContact CG2-CD1 4.29Å; V355-F528 HydrophobicContact CG2-CE1 3.95Å; V355-L531 HydrophobicContact CG1-CD1 3.56Å
356	Y	98.7	Very high	97.4	Very high	37 Å²	37	40.1 Å²	40.1	15%	0.145	20%	0.201	C	C	.	.	H	α-helix	trans	-56.7	-54.2	176.1	170.3	-107.3	0	0	0	111.7	F352 T353 I354 S358 L359 W360 V553 L554	F352-Y356 WeakPolarHBondContact O-CB 3.4Å; F352-Y356 PolarHBondContact O-N 3.23Å; T353-Y356 PolarHBondContact O-N 3.06Å; I354-Y356 PolarHBondContact O-N 3.47Å; Y356-S358 PolarHBondContact O-N 3.38Å; Y356-L359 PolarHBondContact O-N 3.27Å; Y356-L359 VanDerWaalsContact O-N 3.08Å; Y356-W360 HydrophobicContact CD2-CB 4.43Å; Y356-W360 HydrophobicContact CE1-CD2 4.44Å; Y356-W360 AromaticContact CE1-CE3 3.71Å; Y356-W360 HydrophobicContact CE1-CE3 3.71Å; Y356-W360 HydrophobicContact CE1-CZ3 4.25Å; Y356-W360 HydrophobicContact CE2-CB 4.03Å; Y356-W360 AromaticContact CZ-CE3 3.78Å; Y356-W360 VanDerWaalsContact O-CB 3.3Å; Y356-W360 WeakPolarHBondContact O-CB 3.15Å; Y356-W360 PolarHBondContact O-N 3.45Å; Y356-V553 HydrophobicContact CD2-CG1 4.05Å; Y356-V553 HydrophobicContact CE2-CG1 4.46Å; Y356-L554 HydrophobicContact CD2-CB 4.16Å; Y356-L554 HydrophobicContact CD2-CD1 4.14Å; Y356-L554 HydrophobicContact CE2-CB 3.63Å; Y356-L554 HydrophobicContact CE2-CD1 4.1Å; Y356-L554 HydrophobicContact CE2-CG 4.42Å
357	F	98.4	Very high	97.3	Very high	104 Å²	104	35.2 Å²	35.2	46%	0.456	18%	0.175	S	C	.	.	H	α-helix	trans	-67.3	-25.2	-179.3	-71.7	-63.1	0	0	0	113.3	T353 I354 W360	T353-F357 HydrophobicContact CG2-CD2 3.94Å; T353-F357 HydrophobicContact CG2-CE2 3.69Å; T353-F357 WeakPolarHBondContact O-CD2 3.33Å; T353-F357 PolarHBondContact O-N 3.17Å; I354-F357 PolarHBondContact O-N 3.42Å; F357-W360 AromaticContact CD1-CD2 3.96Å; F357-W360 HydrophobicContact CD1-CD2 3.96Å; F357-W360 AromaticContact CD1-CE2 3.83Å; F357-W360 AromaticContact CD1-CE3 3.87Å; F357-W360 HydrophobicContact CD1-CE3 3.87Å; F357-W360 AromaticContact CD1-CH2 3.6Å; F357-W360 HydrophobicContact CD1-CH2 3.6Å; F357-W360 AromaticContact CD1-CZ2 3.69Å; F357-W360 HydrophobicContact CD1-CZ2 3.69Å; F357-W360 AromaticContact CD1-CZ3 3.69Å; F357-W360 HydrophobicContact CD1-CZ3 3.69Å; F357-W360 HydrophobicContact CE1-CE3 4.04Å; F357-W360 AromaticContact CE1-CH2 3.59Å; F357-W360 HydrophobicContact CE1-CH2 3.59Å; F357-W360 HydrophobicContact CE1-CZ2 4.17Å; F357-W360 AromaticContact CE1-CZ3 3.51Å; F357-W360 HydrophobicContact CE1-CZ3 3.51Å; F357-W360 PolarHBondContact O-NE1 3.29Å
358	S	98.4	Very high	97.2	Very high	12 Å²	12	39.7 Å²	39.7	8%	0.084	19%	0.194	C	C	.	.	H	α-helix	trans	-70.6	-32.6	171.2	-66.4	0	0	0	0	112.9	I354 V355 Y356 S365 S366 F528	I354-S358 WeakPolarHBondContact O-CB 3.42Å; I354-S358 PolarHBondContact O-N 3.33Å; I354-S358 PolarHBondContact O-OG 3.24Å; I354-S358 VanDerWaalsContact O-OG 3.06Å; V355-S358 PolarHBondContact O-N 2.73Å; Y356-S358 PolarHBondContact O-N 3.38Å; S358-S365 CarbonylContact O-C 3.38Å; S358-S365 VanDerWaalsContact O-C 3.28Å; S358-S365 VanDerWaalsContact O-CB 3.26Å; S358-S365 WeakPolarHBondContact O-CB 3.47Å; S358-S365 PolarHBondContact O-OG 2.65Å; S358-S366 VanDerWaalsContact O-CA 3.22Å; S358-S366 WeakPolarHBondContact O-CA 3.37Å; S358-S366 WeakPolarHBondContact O-CB 3.3Å; S358-S366 PolarHBondContact O-N 3.07Å; S358-F528 VanDerWaalsContact CB-CE1 3.46Å; S358-F528 WeakPolarHBondContact OG-CE1 3.39Å; S358-F528 WeakPolarHBondContact OG-CZ 3.44Å
359	L	98.1	Very high	97.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-106.8	-19.5	-171.1	-63.7	179	0	0	0	115.2	V355 Y356 K361 G362 F528 L531 E532 I535 R549 V553	V355-L359 HydrophobicContact CG1-CD1 3.81Å; V355-L359 HydrophobicContact CG1-CG 4.49Å; V355-L359 WeakPolarHBondContact O-CG 3.39Å; V355-L359 PolarHBondContact O-N 2.94Å; V355-L359 VanDerWaalsContact O-N 3.08Å; Y356-L359 PolarHBondContact O-N 3.27Å; Y356-L359 VanDerWaalsContact O-N 3.08Å; L359-K361 VanDerWaalsContact C-N 3.26Å; L359-K361 PolarHBondContact O-N 3.2Å; L359-K361 VanDerWaalsContact O-N 3.13Å; L359-G362 PolarHBondContact O-N 3.17Å; L359-F528 HydrophobicContact CD2-CB 4.07Å; L359-L531 HydrophobicContact CD1-CB 3.6Å; L359-L531 HydrophobicContact CD1-CD1 4.18Å; L359-L531 HydrophobicContact CD1-CG 4.47Å; L359-E532 HydrophobicContact CD2-CB 4.43Å; L359-I535 HydrophobicContact CB-CD1 4.48Å; L359-I535 HydrophobicContact CD1-CD1 4.13Å; L359-R549 PolarHBondContact O-NE 2.68Å; L359-R549 PolarHBondContact O-NH2 3.43Å; L359-V553 HydrophobicContact CB-CG1 3.98Å
360	W	97	Very high	97.1	Very high	74 Å²	74	36.6 Å²	36.6	28%	0.28	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-30.8	-170.8	70.1	-24.9	0	0	0	115	Y356 F357 E550	Y356-W360 HydrophobicContact CD2-CB 4.43Å; Y356-W360 HydrophobicContact CE1-CD2 4.44Å; Y356-W360 AromaticContact CE1-CE3 3.71Å; Y356-W360 HydrophobicContact CE1-CE3 3.71Å; Y356-W360 HydrophobicContact CE1-CZ3 4.25Å; Y356-W360 HydrophobicContact CE2-CB 4.03Å; Y356-W360 AromaticContact CZ-CE3 3.78Å; Y356-W360 VanDerWaalsContact O-CB 3.3Å; Y356-W360 WeakPolarHBondContact O-CB 3.15Å; Y356-W360 PolarHBondContact O-N 3.45Å; F357-W360 AromaticContact CD1-CD2 3.96Å; F357-W360 HydrophobicContact CD1-CD2 3.96Å; F357-W360 AromaticContact CD1-CE2 3.83Å; F357-W360 AromaticContact CD1-CE3 3.87Å; F357-W360 HydrophobicContact CD1-CE3 3.87Å; F357-W360 AromaticContact CD1-CH2 3.6Å; F357-W360 HydrophobicContact CD1-CH2 3.6Å; F357-W360 AromaticContact CD1-CZ2 3.69Å; F357-W360 HydrophobicContact CD1-CZ2 3.69Å; F357-W360 AromaticContact CD1-CZ3 3.69Å; F357-W360 HydrophobicContact CD1-CZ3 3.69Å; F357-W360 HydrophobicContact CE1-CE3 4.04Å; F357-W360 AromaticContact CE1-CH2 3.59Å; F357-W360 HydrophobicContact CE1-CH2 3.59Å; F357-W360 HydrophobicContact CE1-CZ2 4.17Å; F357-W360 AromaticContact CE1-CZ3 3.51Å; F357-W360 HydrophobicContact CE1-CZ3 3.51Å; F357-W360 PolarHBondContact O-NE1 3.29Å; W360-E550 HydrophobicContact CB-CG 4.22Å
361	K	95.5	Very high	97	Very high	92 Å²	92	40.4 Å²	40.4	40%	0.4	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	21.6	178.5	-59.8	-72	-176.6	174.8	0	112.2	L359 S365 E550	L359-K361 VanDerWaalsContact C-N 3.26Å; L359-K361 PolarHBondContact O-N 3.2Å; L359-K361 VanDerWaalsContact O-N 3.13Å; K361-S365 PolarHBondContact N-OG 2.91Å; K361-E550 VanDerWaalsContact CE-OE1 3.24Å; K361-E550 WeakPolarHBondContact CE-OE1 3.32Å; K361-E550 IonicContact NZ-OE1 3.09Å; K361-E550 PolarHBondContact NZ-OE1 2.7Å; K361-E550 IonicContact NZ-OE2 3.26Å
362	G	93.9	Very high	97	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	-152.2	175.7	0	0	0	0	0	113.4	L359 K364 S365 S366 R549	L359-G362 PolarHBondContact O-N 3.17Å; G362-K364 PolarHBondContact O-N 2.81Å; G362-S365 PolarHBondContact O-N 2.93Å; G362-S365 VanDerWaalsContact O-N 3.15Å; G362-S365 PolarHBondContact O-OG 3.45Å; G362-S366 PolarHBondContact O-N 2.89Å; G362-S366 VanDerWaalsContact O-N 3.17Å; G362-S366 PolarHBondContact O-OG 3.35Å; G362-R549 VanDerWaalsContact CA-NH2 3.34Å
363	V	94	Very high	97	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-17.2	-179.2	-66.2	0	0	0	0	113.2	E144 W146 S366 G367 Y439	E144-V363 HydrophobicContact CB-CG2 4.12Å; W146-V363 HydrophobicContact CD2-CB 3.93Å; W146-V363 HydrophobicContact CD2-CG1 4.27Å; W146-V363 HydrophobicContact CE3-CB 3.76Å; W146-V363 HydrophobicContact CE3-CG1 4.39Å; W146-V363 HydrophobicContact CH2-CB 3.9Å; W146-V363 HydrophobicContact CH2-CG1 3.75Å; W146-V363 HydrophobicContact CZ2-CB 4.06Å; W146-V363 HydrophobicContact CZ2-CG1 3.6Å; W146-V363 HydrophobicContact CZ3-CB 3.74Å; W146-V363 HydrophobicContact CZ3-CG1 4.15Å; W146-V363 WeakPolarHBondContact CZ3-O 3.22Å; V363-S366 WeakPolarHBondContact CA-OG 3.27Å; V363-G367 WeakPolarHBondContact O-CA 3.13Å; V363-G367 PolarHBondContact O-N 3.32Å; V363-Y439 HydrophobicContact CB-CG 4.5Å; V363-Y439 HydrophobicContact CG1-CD1 4.05Å; V363-Y439 HydrophobicContact CG1-CD2 3.42Å; V363-Y439 VanDerWaalsContact CG1-CD2 3.42Å; V363-Y439 HydrophobicContact CG1-CE1 4.47Å; V363-Y439 HydrophobicContact CG1-CE2 3.91Å; V363-Y439 HydrophobicContact CG1-CG 3.51Å; V363-Y439 HydrophobicContact CG2-CD1 4.18Å; V363-Y439 HydrophobicContact CG2-CG 4.23Å
364	K	93	Very high	96.9	Very high	105 Å²	105	42 Å²	42	46%	0.457	20%	0.198	S	C	.	.	H	α-helix	trans	-73.2	-40.9	175.9	-66.2	-177.6	176.8	176.3	0	113.1	G362 K368	G362-K364 PolarHBondContact O-N 2.81Å; K364-K368 WeakPolarHBondContact O-CG 3.27Å
365	S	96	Very high	96.8	Very high	21 Å²	21	40.8 Å²	40.8	15%	0.147	19%	0.194	C	C	.	.	H	α-helix	trans	-79.7	-43.3	175.7	48.9	0	0	0	0	111.2	S358 K361 G362 G367 K368 A369	S358-S365 CarbonylContact O-C 3.38Å; S358-S365 VanDerWaalsContact O-C 3.28Å; S358-S365 VanDerWaalsContact O-CB 3.26Å; S358-S365 WeakPolarHBondContact O-CB 3.47Å; S358-S365 PolarHBondContact O-OG 2.65Å; K361-S365 PolarHBondContact N-OG 2.91Å; G362-S365 PolarHBondContact O-N 2.93Å; G362-S365 VanDerWaalsContact O-N 3.15Å; G362-S365 PolarHBondContact O-OG 3.45Å; S365-G367 VanDerWaalsContact C-N 3.32Å; S365-G367 PolarHBondContact O-N 3.45Å; S365-K368 PolarHBondContact O-N 2.95Å; S365-K368 VanDerWaalsContact O-N 3.1Å; S365-A369 PolarHBondContact O-N 2.76Å; S365-A369 VanDerWaalsContact O-N 3.09Å
366	S	96.3	Very high	96.7	Very high	6 Å²	6	43 Å²	43	4%	0.042	21%	0.206	C	C	.	.	H	α-helix	trans	-66.2	-40.4	-178.2	63.5	0	0	0	0	110.7	S358 G362 V363 K368 A369 V370	S358-S366 VanDerWaalsContact O-CA 3.22Å; S358-S366 WeakPolarHBondContact O-CA 3.37Å; S358-S366 WeakPolarHBondContact O-CB 3.3Å; S358-S366 PolarHBondContact O-N 3.07Å; G362-S366 PolarHBondContact O-N 2.89Å; G362-S366 VanDerWaalsContact O-N 3.17Å; G362-S366 PolarHBondContact O-OG 3.35Å; V363-S366 WeakPolarHBondContact CA-OG 3.27Å; S366-K368 PolarHBondContact O-N 3.02Å; S366-K368 VanDerWaalsContact O-N 3.1Å; S366-A369 PolarHBondContact O-N 2.78Å; S366-V370 WeakPolarHBondContact O-CG1 3.21Å; S366-V370 PolarHBondContact O-N 2.98Å
367	G	95.4	Very high	96.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-56.8	-24.3	173.9	0	0	0	0	0	114.5	V363 S365 V370	V363-G367 WeakPolarHBondContact O-CA 3.13Å; V363-G367 PolarHBondContact O-N 3.32Å; S365-G367 VanDerWaalsContact C-N 3.32Å; S365-G367 PolarHBondContact O-N 3.45Å; G367-V370 WeakPolarHBondContact O-CG2 3.34Å
368	K	96.9	Very high	96.6	Very high	102 Å²	102	39.7 Å²	39.7	44%	0.443	19%	0.191	S	C	.	.	H	α-helix	trans	-89.2	-36.5	172.3	-55.1	-46.7	170.9	-153.9	0	112.8	D147 D151 K364 S365 S366 V370 W371	D147-K368 VanDerWaalsContact OD2-CE 3.32Å; D147-K368 WeakPolarHBondContact OD2-CE 3.47Å; D147-K368 IonicContact OD2-NZ 3.61Å; D147-K368 PolarHBondContact OD2-NZ 2.8Å; D151-K368 IonicContact OD2-NZ 2.84Å; D151-K368 PolarHBondContact OD2-NZ 2.85Å; K364-K368 WeakPolarHBondContact O-CG 3.27Å; S365-K368 PolarHBondContact O-N 2.95Å; S365-K368 VanDerWaalsContact O-N 3.1Å; S366-K368 PolarHBondContact O-N 3.02Å; S366-K368 VanDerWaalsContact O-N 3.1Å; K368-V370 VanDerWaalsContact C-N 3.3Å; K368-V370 PolarHBondContact O-N 2.92Å; K368-W371 PolarHBondContact O-N 3.47Å
369	A	97.8	Very high	96.5	Very high	22 Å²	22	43 Å²	43	18%	0.182	21%	0.21	C	C	.	.	H	α-helix	trans	-58.5	-43.7	175.9	0	0	0	0	0	111.5	S365 S366 W371 V372 T373 F528	S365-A369 PolarHBondContact O-N 2.76Å; S365-A369 VanDerWaalsContact O-N 3.09Å; S366-A369 PolarHBondContact O-N 2.78Å; A369-W371 PolarHBondContact O-N 2.84Å; A369-W371 VanDerWaalsContact O-N 3.14Å; A369-V372 PolarHBondContact O-N 3.48Å; A369-T373 PolarHBondContact O-N 3.45Å; A369-T373 PolarHBondContact O-OG1 2.67Å; A369-T373 VanDerWaalsContact O-OG1 3.1Å; A369-F528 HydrophobicContact CB-CE2 3.85Å; A369-F528 HydrophobicContact CB-CZ 4.39Å
370	V	97.8	Very high	96.5	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.024	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-20.2	-178.7	-58	0	0	0	0	114.6	L154 A155 S366 G367 K368 V372 T373 A374 F528	L154-V370 HydrophobicContact CB-CB 4.47Å; L154-V370 HydrophobicContact CB-CG2 3.94Å; A155-V370 HydrophobicContact CB-CG1 4.22Å; A155-V370 HydrophobicContact CB-CG2 4.36Å; S366-V370 WeakPolarHBondContact O-CG1 3.21Å; S366-V370 PolarHBondContact O-N 2.98Å; G367-V370 WeakPolarHBondContact O-CG2 3.34Å; K368-V370 VanDerWaalsContact C-N 3.3Å; K368-V370 PolarHBondContact O-N 2.92Å; V370-V372 PolarHBondContact O-N 3.4Å; V370-T373 VanDerWaalsContact CA-OG1 3.28Å; V370-T373 WeakPolarHBondContact CA-OG1 3.23Å; V370-A374 HydrophobicContact CB-CB 4.33Å; V370-A374 WeakPolarHBondContact O-CB 3.39Å; V370-A374 PolarHBondContact O-N 2.89Å; V370-F528 HydrophobicContact CG1-CD2 4.4Å
371	W	97.7	Very high	96.4	Very high	121 Å²	121	40 Å²	40	46%	0.458	20%	0.199	S	C	.	.	H	α-helix	trans	-63.4	-29.1	172	-83.7	89.3	0	0	0	112.5	I150 D151 L154 K368 A369 T375	I150-W371 HydrophobicContact CB-CZ2 4.39Å; I150-W371 HydrophobicContact CG2-CH2 3.93Å; I150-W371 HydrophobicContact CG2-CZ2 3.71Å; D151-W371 PolarHBondContact OD1-NE1 3.41Å; L154-W371 HydrophobicContact CD1-CD2 3.73Å; L154-W371 HydrophobicContact CD1-CE3 4.05Å; L154-W371 HydrophobicContact CD1-CG 4.12Å; L154-W371 HydrophobicContact CD1-CH2 4.44Å; L154-W371 HydrophobicContact CD1-CZ2 4.14Å; L154-W371 HydrophobicContact CD1-CZ3 4.39Å; K368-W371 PolarHBondContact O-N 3.47Å; A369-W371 PolarHBondContact O-N 2.84Å; A369-W371 VanDerWaalsContact O-N 3.14Å; W371-T375 WeakPolarHBondContact O-CB 3.49Å; W371-T375 VanDerWaalsContact O-CG2 3.28Å; W371-T375 WeakPolarHBondContact O-CG2 3.46Å; W371-T375 PolarHBondContact O-OG1 3.09Å
372	V	97.7	Very high	96.5	Very high	90 Å²	90	38.8 Å²	38.8	55%	0.545	20%	0.203	S	C	.	.	H	α-helix	trans	-92	-53.8	173.9	179	0	0	0	0	109.7	A369 V370 A374 T375 L376	A369-V372 PolarHBondContact O-N 3.48Å; V370-V372 PolarHBondContact O-N 3.4Å; V372-A374 PolarHBondContact O-N 3.3Å; V372-T375 PolarHBondContact O-N 3.24Å; V372-L376 WeakPolarHBondContact O-CB 3.29Å; V372-L376 PolarHBondContact O-N 3.09Å
373	T	97.8	Very high	96.6	Very high	11 Å²	11	42.1 Å²	42.1	7%	0.067	22%	0.22	C	C	.	.	H	α-helix	trans	-69	-35.2	-169.7	47.2	0	0	0	0	113.3	A369 V370 P377 T521 L524 D525 F528	A369-T373 PolarHBondContact O-N 3.45Å; A369-T373 PolarHBondContact O-OG1 2.67Å; A369-T373 VanDerWaalsContact O-OG1 3.1Å; V370-T373 VanDerWaalsContact CA-OG1 3.28Å; V370-T373 WeakPolarHBondContact CA-OG1 3.23Å; T373-P377 WeakPolarHBondContact O-CD 3.09Å; T373-P377 VanDerWaalsContact O-CG 3.27Å; T373-P377 WeakPolarHBondContact O-CG 3.48Å; T373-T521 HydrophobicContact CG2-CG2 4.17Å; T373-L524 HydrophobicContact CG2-CB 4.35Å; T373-L524 HydrophobicContact CG2-CD1 4.23Å; T373-D525 WeakPolarHBondContact CB-OD1 3.17Å; T373-D525 PolarHBondContact OG1-OD1 2.88Å; T373-D525 PolarHBondContact OG1-OD2 3.26Å; T373-F528 HydrophobicContact CG2-CE2 4.18Å
374	A	97.3	Very high	96.6	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.033	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-25.8	-179.5	0	0	0	0	0	112.9	V370 V372 Y378 D525	V370-A374 HydrophobicContact CB-CB 4.33Å; V370-A374 WeakPolarHBondContact O-CB 3.39Å; V370-A374 PolarHBondContact O-N 2.89Å; V372-A374 PolarHBondContact O-N 3.3Å; A374-Y378 WeakPolarHBondContact O-CD2 3.23Å; A374-Y378 WeakPolarHBondContact O-CE2 3.32Å; A374-D525 WeakPolarHBondContact CA-OD2 3.49Å; A374-D525 WeakPolarHBondContact CB-OD2 3.39Å; A374-D525 PolarHBondContact N-OD2 3.13Å
375	T	97.1	Very high	96.8	Very high	52 Å²	52	39.9 Å²	39.9	32%	0.319	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-35.9	-175.8	70.3	0	0	0	0	113	L154 W371 V372 Y378 V379	L154-T375 HydrophobicContact CD2-CG2 4.14Å; W371-T375 WeakPolarHBondContact O-CB 3.49Å; W371-T375 VanDerWaalsContact O-CG2 3.28Å; W371-T375 WeakPolarHBondContact O-CG2 3.46Å; W371-T375 PolarHBondContact O-OG1 3.09Å; V372-T375 PolarHBondContact O-N 3.24Å; T375-Y378 PolarHBondContact O-N 3.01Å; T375-Y378 VanDerWaalsContact O-N 3.13Å; T375-V379 PolarHBondContact O-N 3.12Å
376	L	96.9	Very high	96.8	Very high	46 Å²	46	44.5 Å²	44.5	24%	0.241	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-38.4	-177.1	-174.9	60.5	0	0	0	113.8	V372 Y378 V379 I380 L517 T521	V372-L376 WeakPolarHBondContact O-CB 3.29Å; V372-L376 PolarHBondContact O-N 3.09Å; L376-Y378 PolarHBondContact O-N 3.31Å; L376-V379 HydrophobicContact CD1-CB 4.5Å; L376-V379 WeakPolarHBondContact O-CB 3.25Å; L376-V379 PolarHBondContact O-N 2.92Å; L376-V379 VanDerWaalsContact O-N 3.13Å; L376-I380 HydrophobicContact CD1-CD1 4.08Å; L376-I380 HydrophobicContact CD1-CG1 4.25Å; L376-I380 HydrophobicContact CD2-CD1 4.29Å; L376-I380 HydrophobicContact CG-CD1 3.72Å; L376-I380 HydrophobicContact CG-CG1 4.34Å; L376-I380 WeakPolarHBondContact O-CG1 3.43Å; L376-I380 PolarHBondContact O-N 3.47Å; L376-L517 HydrophobicContact CD2-CD1 4.46Å; L376-L517 HydrophobicContact CD2-CD2 3.79Å; L376-L517 HydrophobicContact CD2-CG 3.94Å; L376-T521 HydrophobicContact CD2-CG2 4.15Å
377	P	96.5	Very high	96.7	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.013	24%	0.244	C	C	.	.	H	α-helix	trans	-54.6	-38	173.7	-28.9	36	0	0	0	113.5	T373 I380 L381 M518 T521 L522	T373-P377 WeakPolarHBondContact O-CD 3.09Å; T373-P377 VanDerWaalsContact O-CG 3.27Å; T373-P377 WeakPolarHBondContact O-CG 3.48Å; P377-I380 PolarHBondContact O-N 3.03Å; P377-L381 VanDerWaalsContact O-CB 3.27Å; P377-L381 WeakPolarHBondContact O-CB 3.23Å; P377-L381 WeakPolarHBondContact O-CG 3.26Å; P377-L381 PolarHBondContact O-N 3.44Å; P377-M518 HydrophobicContact CB-CG 4.14Å; P377-T521 WeakPolarHBondContact CG-OG1 3.45Å; P377-L522 HydrophobicContact CB-CD1 4.46Å; P377-L522 HydrophobicContact CB-CD2 3.7Å; P377-L522 HydrophobicContact CB-CG 3.95Å; P377-L522 HydrophobicContact CG-CD2 3.7Å; P377-L522 HydrophobicContact CG-CG 3.79Å
378	Y	96.9	Very high	96.7	Very high	70 Å²	70	47.2 Å²	47.2	28%	0.275	24%	0.244	S	C	.	.	H	α-helix	trans	-69.2	-36.9	178.8	-65.8	-82.8	0	0	0	112.7	I157 V161 A374 T375 L376 S382 I456 T460	I157-Y378 HydrophobicContact CG2-CE2 4.29Å; I157-Y378 WeakPolarHBondContact CG2-OH 3.18Å; V161-Y378 WeakPolarHBondContact CG2-OH 3.48Å; A374-Y378 WeakPolarHBondContact O-CD2 3.23Å; A374-Y378 WeakPolarHBondContact O-CE2 3.32Å; T375-Y378 PolarHBondContact O-N 3.01Å; T375-Y378 VanDerWaalsContact O-N 3.13Å; L376-Y378 PolarHBondContact O-N 3.31Å; Y378-S382 WeakPolarHBondContact O-CB 3.13Å; Y378-S382 PolarHBondContact O-N 3.11Å; Y378-S382 PolarHBondContact O-OG 3.04Å; Y378-I456 HydrophobicContact CE1-CG2 4.32Å; Y378-I456 WeakPolarHBondContact OH-CG2 3.45Å; Y378-T460 HydrophobicContact CE1-CG2 4.13Å; Y378-T460 WeakPolarHBondContact CE1-OG1 3.43Å; Y378-T460 PolarHBondContact OH-OG1 3.19Å
379	V	97.5	Very high	96.7	Very high	80 Å²	80	46.3 Å²	46.3	49%	0.485	24%	0.243	S	C	.	.	H	α-helix	trans	-62.4	-47.8	173.5	178.6	0	0	0	0	109.6	T375 L376 S382 I383	T375-V379 PolarHBondContact O-N 3.12Å; L376-V379 HydrophobicContact CD1-CB 4.5Å; L376-V379 WeakPolarHBondContact O-CB 3.25Å; L376-V379 PolarHBondContact O-N 2.92Å; L376-V379 VanDerWaalsContact O-N 3.13Å; V379-S382 PolarHBondContact O-N 2.91Å; V379-I383 HydrophobicContact CG1-CD1 4.04Å; V379-I383 WeakPolarHBondContact O-CG1 2.98Å; V379-I383 PolarHBondContact O-N 3.2Å; V379-I383 VanDerWaalsContact O-N 3.07Å
380	I	96.9	Very high	96.6	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-68	-44.7	-178.3	-63.4	166.8	0	0	0	111.2	L376 P377 S382 I383 L384 I514 L517 M518	L376-I380 HydrophobicContact CD1-CD1 4.08Å; L376-I380 HydrophobicContact CD1-CG1 4.25Å; L376-I380 HydrophobicContact CD2-CD1 4.29Å; L376-I380 HydrophobicContact CG-CD1 3.72Å; L376-I380 HydrophobicContact CG-CG1 4.34Å; L376-I380 WeakPolarHBondContact O-CG1 3.43Å; L376-I380 PolarHBondContact O-N 3.47Å; P377-I380 PolarHBondContact O-N 3.03Å; I380-S382 VanDerWaalsContact C-N 3.26Å; I380-S382 PolarHBondContact O-N 2.99Å; I380-I383 PolarHBondContact O-N 3.04Å; I380-I383 VanDerWaalsContact O-N 3.17Å; I380-L384 HydrophobicContact CG2-CD1 3.78Å; I380-L384 HydrophobicContact CG2-CG 4.07Å; I380-L384 WeakPolarHBondContact O-CB 3.46Å; I380-L384 WeakPolarHBondContact O-CG 3.47Å; I380-L384 PolarHBondContact O-N 3.49Å; I380-I514 WeakPolarHBondContact CD1-O 3.31Å; I380-I514 HydrophobicContact CG2-CB 4.3Å; I380-I514 HydrophobicContact CG2-CD1 4.49Å; I380-I514 HydrophobicContact CG2-CG1 4.35Å; I380-L517 HydrophobicContact CD1-CD2 4.49Å; I380-L517 HydrophobicContact CD1-CG 4.42Å; I380-M518 HydrophobicContact CB-CB 4.18Å; I380-M518 HydrophobicContact CB-CG 4.5Å; I380-M518 HydrophobicContact CB-SD 4.3Å; I380-M518 HydrophobicContact CD1-CB 3.81Å; I380-M518 HydrophobicContact CG2-CB 3.87Å; I380-M518 HydrophobicContact CG2-CG 4.37Å; I380-M518 HydrophobicContact CG2-SD 3.91Å
381	L	95.4	Very high	96.4	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-57	-41.3	174.7	-76.7	171.5	0	0	0	111.5	I166 P377 L384 L385 T460 V467 M518	I166-L381 HydrophobicContact CD1-CD1 3.81Å; I166-L381 HydrophobicContact CD1-CD2 3.98Å; I166-L381 HydrophobicContact CD1-CG 4.44Å; I166-L381 HydrophobicContact CG2-CD2 4.49Å; P377-L381 VanDerWaalsContact O-CB 3.27Å; P377-L381 WeakPolarHBondContact O-CB 3.23Å; P377-L381 WeakPolarHBondContact O-CG 3.26Å; P377-L381 PolarHBondContact O-N 3.44Å; L381-L384 PolarHBondContact O-N 3.21Å; L381-L385 WeakPolarHBondContact O-CB 3.44Å; L381-L385 PolarHBondContact O-N 3.18Å; L381-T460 HydrophobicContact CD1-CG2 3.93Å; L381-V467 HydrophobicContact CD2-CB 4.43Å; L381-V467 HydrophobicContact CD2-CG1 4.37Å; L381-V467 HydrophobicContact CD2-CG2 4.07Å; L381-M518 HydrophobicContact CD2-CE 4.48Å; L381-M518 HydrophobicContact CD2-SD 3.73Å; L381-M518 HydrophobicContact CG-SD 3.78Å
382	S	97	Very high	96.2	Very high	67 Å²	67	50.6 Å²	50.6	47%	0.469	27%	0.271	S	S	.	.	H	α-helix	trans	-64.2	-44.1	177.4	-58.9	0	0	0	0	111.8	Y378 V379 I380 L385 I386	Y378-S382 WeakPolarHBondContact O-CB 3.13Å; Y378-S382 PolarHBondContact O-N 3.11Å; Y378-S382 PolarHBondContact O-OG 3.04Å; V379-S382 PolarHBondContact O-N 2.91Å; I380-S382 VanDerWaalsContact C-N 3.26Å; I380-S382 PolarHBondContact O-N 2.99Å; S382-L385 PolarHBondContact O-N 2.94Å; S382-I386 WeakPolarHBondContact O-CG1 3.38Å; S382-I386 PolarHBondContact O-N 3.35Å; S382-I386 VanDerWaalsContact O-N 3.11Å
383	I	96.8	Very high	96	Very high	70 Å²	70	47.3 Å²	47.3	36%	0.359	26%	0.255	S	S	.	.	H	α-helix	trans	-62.6	-47.9	176.4	-69	167.2	0	0	0	110.8	V379 I380 L385 I386 R387 W511 I514	V379-I383 HydrophobicContact CG1-CD1 4.04Å; V379-I383 WeakPolarHBondContact O-CG1 2.98Å; V379-I383 PolarHBondContact O-N 3.2Å; V379-I383 VanDerWaalsContact O-N 3.07Å; I380-I383 PolarHBondContact O-N 3.04Å; I380-I383 VanDerWaalsContact O-N 3.17Å; I383-L385 VanDerWaalsContact C-N 3.32Å; I383-L385 PolarHBondContact O-N 2.9Å; I383-I386 PolarHBondContact O-N 3.42Å; I383-R387 WeakPolarHBondContact O-CB 3.34Å; I383-R387 PolarHBondContact O-N 2.62Å; I383-W511 HydrophobicContact CG2-CZ3 3.96Å; I383-I514 HydrophobicContact CG2-CD1 4.11Å
384	L	94.3	Very high	95.8	Very high	17 Å²	17	47 Å²	47	9%	0.089	25%	0.253	C	S	.	.	H	α-helix	trans	-67.9	-31.8	179.6	-67.4	179.4	0	0	0	112.1	I380 L381 G388 V467 W511 I514 F515 M518	I380-L384 HydrophobicContact CG2-CD1 3.78Å; I380-L384 HydrophobicContact CG2-CG 4.07Å; I380-L384 WeakPolarHBondContact O-CB 3.46Å; I380-L384 WeakPolarHBondContact O-CG 3.47Å; I380-L384 PolarHBondContact O-N 3.49Å; L381-L384 PolarHBondContact O-N 3.21Å; L384-G388 WeakPolarHBondContact O-CA 3.34Å; L384-G388 PolarHBondContact O-N 3.17Å; L384-V467 HydrophobicContact CB-CG1 3.61Å; L384-V467 HydrophobicContact CD1-CG1 4.41Å; L384-W511 HydrophobicContact CD2-CE3 3.88Å; L384-W511 HydrophobicContact CD2-CZ3 4.32Å; L384-I514 HydrophobicContact CD2-CD1 4.04Å; L384-I514 HydrophobicContact CD2-CG1 4.46Å; L384-F515 HydrophobicContact CD1-CD2 4.09Å; L384-M518 HydrophobicContact CD1-CE 4.22Å
385	L	95.6	Very high	95.7	Very high	42 Å²	42	52.5 Å²	52.5	22%	0.22	28%	0.282	C	S	.	.	H	α-helix	trans	-63.6	-52.4	173.8	-178.2	61	0	0	0	110.8	L381 S382 I383 R387 G388 L389 V463 F466 V467	L381-L385 WeakPolarHBondContact O-CB 3.44Å; L381-L385 PolarHBondContact O-N 3.18Å; S382-L385 PolarHBondContact O-N 2.94Å; I383-L385 VanDerWaalsContact C-N 3.32Å; I383-L385 PolarHBondContact O-N 2.9Å; L385-R387 VanDerWaalsContact C-N 3.29Å; L385-R387 PolarHBondContact O-N 3.26Å; L385-G388 PolarHBondContact O-N 3.17Å; L385-L389 HydrophobicContact CD1-CD1 3.82Å; L385-L389 HydrophobicContact CD1-CG 3.98Å; L385-L389 HydrophobicContact CG-CD1 3.93Å; L385-L389 HydrophobicContact CG-CG 4.4Å; L385-L389 WeakPolarHBondContact O-CB 3.23Å; L385-L389 VanDerWaalsContact O-CG 3.25Å; L385-L389 WeakPolarHBondContact O-CG 3.4Å; L385-L389 PolarHBondContact O-N 3.34Å; L385-V463 HydrophobicContact CD2-CG1 4.29Å; L385-F466 HydrophobicContact CD1-CB 3.56Å; L385-V467 HydrophobicContact CB-CG2 3.8Å; L385-V467 HydrophobicContact CD1-CG2 4.05Å; L385-V467 HydrophobicContact CG-CG2 4.48Å
386	I	97	Very high	95.4	Very high	117 Å²	117	53 Å²	53	60%	0.6	29%	0.285	S	S	*	.	H	α-helix	trans	-59.8	-44.6	178.8	-65.6	166.1	0	0	0	109.8	S382 I383 T390	S382-I386 WeakPolarHBondContact O-CG1 3.38Å; S382-I386 PolarHBondContact O-N 3.35Å; S382-I386 VanDerWaalsContact O-N 3.11Å; I383-I386 PolarHBondContact O-N 3.42Å; I386-T390 VanDerWaalsContact O-CG2 3.27Å; I386-T390 WeakPolarHBondContact O-CG2 3.31Å; I386-T390 PolarHBondContact O-N 3.27Å; I386-T390 PolarHBondContact O-OG1 3.46Å
387	R	94.7	Very high	95.2	Very high	64 Å²	64	50.8 Å²	50.8	24%	0.242	27%	0.273	C	S	.	.	H	α-helix	trans	-62	-49.7	176.9	-179.5	56.6	178.2	147	-2.6	111.3	I383 L385 L389 T390 L391 W511	I383-R387 WeakPolarHBondContact O-CB 3.34Å; I383-R387 PolarHBondContact O-N 2.62Å; L385-R387 VanDerWaalsContact C-N 3.29Å; L385-R387 PolarHBondContact O-N 3.26Å; R387-L389 PolarHBondContact O-N 3.18Å; R387-T390 PolarHBondContact O-N 2.62Å; R387-T390 PolarHBondContact O-OG1 3.15Å; R387-L391 WeakPolarHBondContact O-CG 3.34Å; R387-L391 PolarHBondContact O-N 3.27Å; R387-W511 HydrophobicContact CB-CH2 3.79Å; R387-W511 HydrophobicContact CB-CZ3 3.84Å; R387-W511 HydrophobicContact CG-CE3 4.28Å; R387-W511 HydrophobicContact CG-CH2 3.55Å; R387-W511 HydrophobicContact CG-CZ2 3.81Å; R387-W511 HydrophobicContact CG-CZ3 3.8Å
388	G	94.8	Very high	95.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60	-44.2	-178.5	0	0	0	0	0	112.9	L384 L385 T390 L391 S394 S470	L384-G388 WeakPolarHBondContact O-CA 3.34Å; L384-G388 PolarHBondContact O-N 3.17Å; L385-G388 PolarHBondContact O-N 3.17Å; G388-T390 VanDerWaalsContact C-N 3.28Å; G388-T390 PolarHBondContact O-N 3.13Å; G388-L391 WeakPolarHBondContact O-CB 3.41Å; G388-L391 PolarHBondContact O-N 3Å; G388-S394 WeakPolarHBondContact O-CB 3.45Å; G388-S470 WeakPolarHBondContact CA-OG 3.34Å
389	L	96.3	Very high	95.1	Very high	83 Å²	83	55.2 Å²	55.2	44%	0.435	30%	0.295	S	S	.	.	H	α-helix	trans	-68.4	-24	179.2	-67.5	178	0	0	0	113.9	L385 R387 L391 I398	L385-L389 HydrophobicContact CD1-CD1 3.82Å; L385-L389 HydrophobicContact CD1-CG 3.98Å; L385-L389 HydrophobicContact CG-CD1 3.93Å; L385-L389 HydrophobicContact CG-CG 4.4Å; L385-L389 WeakPolarHBondContact O-CB 3.23Å; L385-L389 VanDerWaalsContact O-CG 3.25Å; L385-L389 WeakPolarHBondContact O-CG 3.4Å; L385-L389 PolarHBondContact O-N 3.34Å; R387-L389 PolarHBondContact O-N 3.18Å; L389-L391 VanDerWaalsContact C-N 3.33Å; L389-I398 HydrophobicContact CD2-CD1 3.49Å; L389-I398 VanDerWaalsContact CD2-CD1 3.49Å
390	T	95.8	Very high	94.7	Very high	95 Å²	95	56.1 Å²	56.1	58%	0.583	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-2	178.3	54.4	0	0	0	0	113.2	I386 R387 G388	I386-T390 VanDerWaalsContact O-CG2 3.27Å; I386-T390 WeakPolarHBondContact O-CG2 3.31Å; I386-T390 PolarHBondContact O-N 3.27Å; I386-T390 PolarHBondContact O-OG1 3.46Å; R387-T390 PolarHBondContact O-N 2.62Å; R387-T390 PolarHBondContact O-OG1 3.15Å; G388-T390 VanDerWaalsContact C-N 3.28Å; G388-T390 PolarHBondContact O-N 3.13Å
391	L	94.5	Very high	94.6	Very high	11 Å²	11	55.9 Å²	55.9	6%	0.058	29%	0.289	C	S	.	.	S	Bend	trans	-81	144.1	175.7	-66.4	169.9	0	0	0	111.6	R387 G388 L389 S394 Y474 L505	R387-L391 WeakPolarHBondContact O-CG 3.34Å; R387-L391 PolarHBondContact O-N 3.27Å; G388-L391 WeakPolarHBondContact O-CB 3.41Å; G388-L391 PolarHBondContact O-N 3Å; L389-L391 VanDerWaalsContact C-N 3.33Å; L391-S394 VanDerWaalsContact O-CB 3.22Å; L391-S394 WeakPolarHBondContact O-CB 3.4Å; L391-S394 PolarHBondContact O-N 3.45Å; L391-S394 PolarHBondContact O-OG 3.13Å; L391-Y474 HydrophobicContact CB-CD2 3.65Å; L391-Y474 HydrophobicContact CB-CE2 4.29Å; L391-Y474 HydrophobicContact CB-CG 3.82Å; L391-Y474 HydrophobicContact CD1-CD1 3.88Å; L391-Y474 HydrophobicContact CD1-CD2 4.37Å; L391-Y474 HydrophobicContact CD1-CE1 4.46Å; L391-Y474 HydrophobicContact CD1-CG 3.8Å; L391-Y474 HydrophobicContact CD2-CD1 4.37Å; L391-Y474 HydrophobicContact CD2-CD2 4.1Å; L391-Y474 HydrophobicContact CD2-CE1 4.24Å; L391-Y474 HydrophobicContact CD2-CE2 3.97Å; L391-Y474 HydrophobicContact CD2-CG 4.27Å; L391-Y474 HydrophobicContact CG-CD2 4.24Å; L391-Y474 HydrophobicContact CG-CG 4.16Å; L391-L505 HydrophobicContact CD1-CD2 3.71Å; L391-L505 HydrophobicContact CD2-CD2 3.66Å; L391-L505 HydrophobicContact CG-CD2 4.34Å
392	E	94.1	Very high	94.7	Very high	131 Å²	131	58.1 Å²	58.1	61%	0.612	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	136.4	177.5	-166.3	177.8	179.8	0	0	111.6	S394 Y474 F477	E392-S394 PolarHBondContact O-N 2.95Å; E392-S394 VanDerWaalsContact O-N 3.15Å; E392-Y474 VanDerWaalsContact O-CD2 3.27Å; E392-Y474 WeakPolarHBondContact O-CD2 3.47Å; E392-F477 HydrophobicContact CB-CD1 4.42Å; E392-F477 HydrophobicContact CB-CE1 4.11Å; E392-F477 VanDerWaalsContact CD-CE1 3.48Å; E392-F477 HydrophobicContact CG-CD1 4.25Å; E392-F477 HydrophobicContact CG-CE1 3.57Å; E392-F477 HydrophobicContact CG-CZ 3.89Å; E392-F477 WeakPolarHBondContact OE1-CZ 3.4Å
393	G	92.4	Very high	94.6	Very high	20 Å²	20	59.2 Å²	59.2	21%	0.206	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	-0.6	-177.2	0	0	0	0	0	115.4	L395 T396 G473	G393-L395 PolarHBondContact O-N 3.18Å; G393-T396 VanDerWaalsContact O-CB 3.25Å; G393-T396 WeakPolarHBondContact O-CB 3.27Å; G393-T396 PolarHBondContact O-N 3.01Å; G393-T396 PolarHBondContact O-OG1 3.36Å; G393-G473 CarbonylContact O-C 3.58Å
394	S	94.9	Very high	94.6	Very high	4 Å²	4	58.7 Å²	58.7	3%	0.028	31%	0.306	C	S	.	.	H	α-helix	trans	-54.4	-36.3	174.6	58.3	0	0	0	0	113.2	G388 L391 E392 T396 G397 I398 S470	G388-S394 WeakPolarHBondContact O-CB 3.45Å; L391-S394 VanDerWaalsContact O-CB 3.22Å; L391-S394 WeakPolarHBondContact O-CB 3.4Å; L391-S394 PolarHBondContact O-N 3.45Å; L391-S394 PolarHBondContact O-OG 3.13Å; E392-S394 PolarHBondContact O-N 2.95Å; E392-S394 VanDerWaalsContact O-N 3.15Å; S394-T396 PolarHBondContact O-N 3.4Å; S394-G397 PolarHBondContact O-N 3.38Å; S394-G397 VanDerWaalsContact O-N 3.17Å; S394-I398 PolarHBondContact O-N 3.18Å; S394-S470 WeakPolarHBondContact CA-O 3.14Å; S394-S470 WeakPolarHBondContact CB-O 3.38Å
395	L	94.3	Very high	94.7	Very high	120 Å²	120	61.9 Å²	61.9	63%	0.628	32%	0.323	S	S	*	.	H	α-helix	trans	-58.7	-27.8	176.3	-69.9	176.7	0	0	0	113.2	G393 I398 K399	G393-L395 PolarHBondContact O-N 3.18Å; L395-I398 HydrophobicContact CD2-CD1 4.34Å; L395-I398 PolarHBondContact O-N 3.46Å; L395-K399 WeakPolarHBondContact O-CG 3.32Å; L395-K399 PolarHBondContact O-N 2.88Å
396	T	91.1	Very high	94.8	Very high	63 Å²	63	66.1 Å²	66.1	39%	0.387	34%	0.34	S	S	.	.	H	α-helix	trans	-62.1	-49	176.6	-60.2	0	0	0	0	110.3	G393 S394 I398 K399 Y400	G393-T396 VanDerWaalsContact O-CB 3.25Å; G393-T396 WeakPolarHBondContact O-CB 3.27Å; G393-T396 PolarHBondContact O-N 3.01Å; G393-T396 PolarHBondContact O-OG1 3.36Å; S394-T396 PolarHBondContact O-N 3.4Å; T396-I398 PolarHBondContact O-N 3.13Å; T396-K399 WeakPolarHBondContact O-CB 3.33Å; T396-K399 PolarHBondContact O-N 3.26Å; T396-Y400 HydrophobicContact CG2-CD2 4.17Å; T396-Y400 HydrophobicContact CG2-CE2 3.88Å; T396-Y400 VanDerWaalsContact O-CD2 3.22Å; T396-Y400 WeakPolarHBondContact O-CD2 3.48Å; T396-Y400 PolarHBondContact O-N 3.22Å; T396-Y400 VanDerWaalsContact O-N 3.17Å
397	G	93	Very high	94.8	Very high	0 Å²	0	64 Å²	64	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-65.2	-38.7	177.2	0	0	0	0	0	112.3	S394 K399 Y400 Y401 F469	S394-G397 PolarHBondContact O-N 3.38Å; S394-G397 VanDerWaalsContact O-N 3.17Å; G397-K399 VanDerWaalsContact C-N 3.27Å; G397-K399 PolarHBondContact O-N 3.02Å; G397-Y400 WeakPolarHBondContact O-CB 3.33Å; G397-Y400 PolarHBondContact O-N 2.82Å; G397-Y400 VanDerWaalsContact O-N 3.09Å; G397-Y401 PolarHBondContact O-N 3.31Å; G397-F469 WeakPolarHBondContact CA-O 3.35Å; G397-F469 VanDerWaalsContact O-CD1 3.28Å; G397-F469 WeakPolarHBondContact O-CD1 3.4Å
398	I	95.5	Very high	94.8	Very high	21 Å²	21	61.9 Å²	61.9	11%	0.108	33%	0.33	C	S	.	.	H	α-helix	trans	-61.7	-36.7	176.1	-63.8	169.4	0	0	0	111.5	L389 S394 L395 T396 Y401 L402 F466	L389-I398 HydrophobicContact CD2-CD1 3.49Å; L389-I398 VanDerWaalsContact CD2-CD1 3.49Å; S394-I398 PolarHBondContact O-N 3.18Å; L395-I398 HydrophobicContact CD2-CD1 4.34Å; L395-I398 PolarHBondContact O-N 3.46Å; T396-I398 PolarHBondContact O-N 3.13Å; I398-Y401 PolarHBondContact O-N 3.09Å; I398-L402 HydrophobicContact CG2-CD1 4.05Å; I398-L402 PolarHBondContact O-N 3.47Å; I398-F466 HydrophobicContact CD1-CD1 4.34Å; I398-F466 HydrophobicContact CG1-CD1 4.43Å; I398-F466 HydrophobicContact CG2-CD1 4.2Å; I398-F466 HydrophobicContact CG2-CE1 4.06Å
399	K	94.7	Very high	94.9	Very high	143 Å²	143	63.7 Å²	63.7	62%	0.622	34%	0.34	S	S	*	.	H	α-helix	trans	-62.1	-45.8	172.2	-74.3	176.3	-179.5	-179.2	0	111.4	L395 T396 G397 Y401 L402 T403	L395-K399 WeakPolarHBondContact O-CG 3.32Å; L395-K399 PolarHBondContact O-N 2.88Å; T396-K399 WeakPolarHBondContact O-CB 3.33Å; T396-K399 PolarHBondContact O-N 3.26Å; G397-K399 VanDerWaalsContact C-N 3.27Å; G397-K399 PolarHBondContact O-N 3.02Å; K399-Y401 VanDerWaalsContact C-N 3.25Å; K399-Y401 PolarHBondContact O-N 3.01Å; K399-L402 PolarHBondContact O-N 3.24Å; K399-T403 WeakPolarHBondContact O-CB 3.26Å; K399-T403 PolarHBondContact O-N 3.37Å; K399-T403 PolarHBondContact O-OG1 2.93Å
400	Y	90.7	Very high	94.9	Very high	100 Å²	100	67.4 Å²	67.4	39%	0.392	36%	0.359	S	S	.	.	H	α-helix	trans	-59.3	-37	175.1	-81.4	-77.6	0	0	0	112.9	Y174 T396 G397 M483	Y174-Y400 AromaticContact CE2-CD1 3.83Å; Y174-Y400 HydrophobicContact CE2-CD1 3.83Å; Y174-Y400 HydrophobicContact CE2-CG 4.47Å; T396-Y400 HydrophobicContact CG2-CD2 4.17Å; T396-Y400 HydrophobicContact CG2-CE2 3.88Å; T396-Y400 VanDerWaalsContact O-CD2 3.22Å; T396-Y400 WeakPolarHBondContact O-CD2 3.48Å; T396-Y400 PolarHBondContact O-N 3.22Å; T396-Y400 VanDerWaalsContact O-N 3.17Å; G397-Y400 WeakPolarHBondContact O-CB 3.33Å; G397-Y400 PolarHBondContact O-N 2.82Å; G397-Y400 VanDerWaalsContact O-N 3.09Å; Y400-M483 HydrophobicContact CD1-CB 3.92Å; Y400-M483 HydrophobicContact CD1-CG 4.36Å; Y400-M483 HydrophobicContact CD2-CB 3.93Å; Y400-M483 HydrophobicContact CD2-CG 4.33Å; Y400-M483 HydrophobicContact CE1-CB 4.06Å; Y400-M483 HydrophobicContact CE2-CB 4.11Å; Y400-M483 HydrophobicContact CG-CB 3.84Å; Y400-M483 HydrophobicContact CG-CG 4.02Å
401	Y	94.5	Very high	94.8	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-68.8	-41	177.6	174.4	-133.5	0	0	0	113.3	F169 C173 G178 G179 G397 I398 K399 F462 F466 F469	F169-Y401 HydrophobicContact CE1-CE2 4.38Å; F169-Y401 WeakPolarHBondContact CE1-OH 3.31Å; C173-Y401 HydrophobicContact CB-CD2 4.2Å; C173-Y401 HydrophobicContact CB-CE2 3.79Å; C173-Y401 VanDerWaalsContact SG-CE2 3.53Å; G178-Y401 CarbonylContact C-O 3.56Å; G178-Y401 WeakPolarHBondContact CA-O 3.3Å; G179-Y401 PolarHBondContact N-O 2.92Å; G397-Y401 PolarHBondContact O-N 3.31Å; I398-Y401 PolarHBondContact O-N 3.09Å; K399-Y401 VanDerWaalsContact C-N 3.25Å; K399-Y401 PolarHBondContact O-N 3.01Å; Y401-F462 HydrophobicContact CE1-CE2 4.45Å; Y401-F462 WeakPolarHBondContact OH-CA 3.39Å; Y401-F462 VanDerWaalsContact OH-CD2 3.27Å; Y401-F462 WeakPolarHBondContact OH-CD2 3.41Å; Y401-F462 PolarHBondContact OH-O 2.95Å; Y401-F466 HydrophobicContact CE1-CD2 4.08Å; Y401-F466 HydrophobicContact CE1-CE2 4.1Å; Y401-F469 HydrophobicContact CD2-CD2 4.28Å; Y401-F469 HydrophobicContact CD2-CE2 4.37Å; Y401-F469 HydrophobicContact CG-CD2 4.21Å; Y401-F469 HydrophobicContact CG-CG 4.3Å
402	L	96	Very high	94.5	Very high	52 Å²	52	71 Å²	71	27%	0.272	38%	0.377	S	S	.	.	H	α-helix	trans	-109.4	-17.8	-167.8	-65.6	179.6	0	0	0	115.8	G179 L182 I398 K399 P404 F462 F466	G179-L402 WeakPolarHBondContact CA-O 3.23Å; G179-L402 PolarHBondContact N-O 3.4Å; L182-L402 HydrophobicContact CD1-CD2 4.5Å; I398-L402 HydrophobicContact CG2-CD1 4.05Å; I398-L402 PolarHBondContact O-N 3.47Å; K399-L402 PolarHBondContact O-N 3.24Å; L402-P404 VanDerWaalsContact O-CD 3.23Å; L402-P404 WeakPolarHBondContact O-CD 3.24Å; L402-P404 VanDerWaalsContact O-N 3.12Å; L402-F462 HydrophobicContact CD2-CE2 3.89Å; L402-F462 HydrophobicContact CD2-CZ 4.37Å; L402-F466 HydrophobicContact CD1-CE1 3.82Å; L402-F466 HydrophobicContact CD1-CZ 3.65Å
403	T	96.3	Very high	94.2	Very high	90 Å²	90	67.5 Å²	67.5	55%	0.552	37%	0.367	S	S	*	.	S	Bend	trans	-62.9	116.6	178.4	-69.2	0	0	0	0	109.2	K399 N405	K399-T403 WeakPolarHBondContact O-CB 3.26Å; K399-T403 PolarHBondContact O-N 3.37Å; K399-T403 PolarHBondContact O-OG1 2.93Å; T403-N405 PolarHBondContact O-N 3.4Å
404	P	96.8	Very high	94.2	Very high	60 Å²	60	66.8 Å²	66.8	39%	0.39	36%	0.359	S	S	.	.			trans	-79.9	126.6	-172.8	30.6	-33.1	0	0	0	110.9	A180 L402 F406	A180-P404 HydrophobicContact CB-CB 4.11Å; L402-P404 VanDerWaalsContact O-CD 3.23Å; L402-P404 WeakPolarHBondContact O-CD 3.24Å; L402-P404 VanDerWaalsContact O-N 3.12Å; P404-F406 HydrophobicContact CB-CD2 4.34Å; P404-F406 HydrophobicContact CB-CE1 4.4Å; P404-F406 HydrophobicContact CB-CE2 3.84Å; P404-F406 HydrophobicContact CB-CZ 3.87Å; P404-F406 HydrophobicContact CG-CE2 3.77Å; P404-F406 HydrophobicContact CG-CZ 4.03Å
405	N	96	Very high	94.1	Very high	84 Å²	84	70.2 Å²	70.2	45%	0.449	37%	0.371	S	S	.	.			trans	-101.9	90.9	164.7	-178.9	4.4	0	0	0	109.8	G177 A180 T403 S407 S408	G177-N405 PolarHBondContact O-N 2.81Å; A180-N405 WeakPolarHBondContact CB-O 3.16Å; T403-N405 PolarHBondContact O-N 3.4Å; N405-S407 PolarHBondContact ND2-OG 2.98Å; N405-S407 PolarHBondContact O-N 3.2Å; N405-S407 VanDerWaalsContact O-N 3.17Å; N405-S407 PolarHBondContact OD1-N 2.93Å; N405-S407 PolarHBondContact OD1-OG 3.46Å; N405-S408 WeakPolarHBondContact O-CB 3.27Å; N405-S408 PolarHBondContact O-N 3.42Å; N405-S408 VanDerWaalsContact O-N 3.15Å; N405-S408 PolarHBondContact O-OG 2.68Å
406	F	97.5	Very high	93.8	Very high	130 Å²	130	65.6 Å²	65.6	57%	0.57	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-63.4	-21.1	-176.8	-67.9	-74	0	0	0	114.5	A180 I183 P404 S408 L409	A180-F406 HydrophobicContact CB-CD1 4.37Å; I183-F406 HydrophobicContact CD1-CE1 4.06Å; P404-F406 HydrophobicContact CB-CD2 4.34Å; P404-F406 HydrophobicContact CB-CE1 4.4Å; P404-F406 HydrophobicContact CB-CE2 3.84Å; P404-F406 HydrophobicContact CB-CZ 3.87Å; P404-F406 HydrophobicContact CG-CE2 3.77Å; P404-F406 HydrophobicContact CG-CZ 4.03Å; F406-S408 PolarHBondContact O-N 3Å; F406-L409 HydrophobicContact CD1-CD1 3.94Å; F406-L409 WeakPolarHBondContact O-CB 3.4Å; F406-L409 PolarHBondContact O-N 3Å
407	S	97.6	Very high	93.7	Very high	74 Å²	74	64.2 Å²	64.2	52%	0.517	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-63.3	-27.2	176.3	69.5	0	0	0	0	112.6	N405 L409 L410	N405-S407 PolarHBondContact ND2-OG 2.98Å; N405-S407 PolarHBondContact O-N 3.2Å; N405-S407 VanDerWaalsContact O-N 3.17Å; N405-S407 PolarHBondContact OD1-N 2.93Å; N405-S407 PolarHBondContact OD1-OG 3.46Å; S407-L409 PolarHBondContact O-N 3.29Å; S407-L410 WeakPolarHBondContact O-CB 3.45Å; S407-L410 PolarHBondContact O-N 2.98Å
408	S	95	Very high	93.8	Very high	18 Å²	18	64.2 Å²	64.2	13%	0.126	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-60.6	-29.1	176.3	65.9	0	0	0	0	113.1	N176 N405 F406 L410 S411 V414	N176-S408 PolarHBondContact O-OG 2.92Å; N405-S408 WeakPolarHBondContact O-CB 3.27Å; N405-S408 PolarHBondContact O-N 3.42Å; N405-S408 VanDerWaalsContact O-N 3.15Å; N405-S408 PolarHBondContact O-OG 2.68Å; F406-S408 PolarHBondContact O-N 3Å; S408-L410 PolarHBondContact O-N 3.35Å; S408-L410 VanDerWaalsContact O-N 3.09Å; S408-S411 WeakPolarHBondContact O-CB 3.33Å; S408-S411 PolarHBondContact O-N 3.14Å; S408-V414 VanDerWaalsContact O-CG2 3.31Å; S408-V414 WeakPolarHBondContact O-CG2 3.28Å
409	L	96	Very high	93.6	Very high	38 Å²	38	63.2 Å²	63.2	20%	0.199	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-65.2	-16.1	-178	-61.3	-179.2	0	0	0	113.7	A180 I183 P184 F406 S407 S411 V414 W415	A180-L409 HydrophobicContact CB-CD2 4.34Å; A180-L409 HydrophobicContact CB-CG 4.37Å; I183-L409 HydrophobicContact CD1-CD1 4.17Å; P184-L409 HydrophobicContact CG-CD2 4.07Å; F406-L409 HydrophobicContact CD1-CD1 3.94Å; F406-L409 WeakPolarHBondContact O-CB 3.4Å; F406-L409 PolarHBondContact O-N 3Å; S407-L409 PolarHBondContact O-N 3.29Å; L409-S411 VanDerWaalsContact C-N 3.28Å; L409-V414 HydrophobicContact CD2-CG1 4.48Å; L409-W415 PolarHBondContact O-NE1 3.3Å
410	L	96.3	Very high	93.3	Very high	161 Å²	161	57 Å²	57	84%	0.843	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-75.1	-17.7	174.1	-63	172.5	0	0	0	112.5	S407 S408	S407-L410 WeakPolarHBondContact O-CB 3.45Å; S407-L410 PolarHBondContact O-N 2.98Å; S408-L410 PolarHBondContact O-N 3.35Å; S408-L410 VanDerWaalsContact O-N 3.09Å
411	S	93	Very high	93.4	Very high	47 Å²	47	52.4 Å²	52.4	33%	0.329	29%	0.291	S	S	.	.			trans	-84.4	126.8	178.9	-174.9	0	0	0	0	111.6	S408 L409 S413 V414	S408-S411 WeakPolarHBondContact O-CB 3.33Å; S408-S411 PolarHBondContact O-N 3.14Å; L409-S411 VanDerWaalsContact C-N 3.28Å; S411-S413 PolarHBondContact O-N 3.48Å; S411-S413 PolarHBondContact OG-N 3.14Å; S411-S413 PolarHBondContact OG-OG 2.82Å; S411-V414 WeakPolarHBondContact O-CB 3.34Å; S411-V414 PolarHBondContact O-N 2.91Å
412	I	89.2	Confident	93.4	Very high	136 Å²	136	52.4 Å²	52.4	70%	0.697	29%	0.291	S	S	*	.	H	α-helix	trans	-62	-28.6	174.4	-170.6	59.4	0	0	0	112.7	V414 W415 S416	I412-V414 VanDerWaalsContact C-N 3.28Å; I412-V414 PolarHBondContact O-N 3.42Å; I412-W415 PolarHBondContact O-N 3Å; I412-S416 PolarHBondContact O-N 3.46Å
413	S	87.8	Confident	93.2	Very high	57 Å²	57	50.1 Å²	50.1	40%	0.399	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-37.2	178.2	65.1	0	0	0	0	111.9	S411 W415 S416 D417	S411-S413 PolarHBondContact O-N 3.48Å; S411-S413 PolarHBondContact OG-N 3.14Å; S411-S413 PolarHBondContact OG-OG 2.82Å; S413-W415 VanDerWaalsContact C-N 3.31Å; S413-W415 PolarHBondContact O-N 3.09Å; S413-S416 PolarHBondContact O-N 2.73Å; S413-D417 WeakPolarHBondContact O-CB 3.5Å; S413-D417 PolarHBondContact O-N 3.45Å
414	V	92.5	Very high	92.8	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.024	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-41.7	178.7	168.5	0	0	0	0	111	N176 F181 P184 S408 L409 S411 I412 A418	N176-V414 HydrophobicContact CB-CB 4.44Å; N176-V414 HydrophobicContact CB-CG1 4.14Å; N176-V414 HydrophobicContact CB-CG2 3.95Å; F181-V414 HydrophobicContact CD2-CG1 4.17Å; P184-V414 HydrophobicContact CG-CG1 3.93Å; S408-V414 VanDerWaalsContact O-CG2 3.31Å; S408-V414 WeakPolarHBondContact O-CG2 3.28Å; L409-V414 HydrophobicContact CD2-CG1 4.48Å; S411-V414 WeakPolarHBondContact O-CB 3.34Å; S411-V414 PolarHBondContact O-N 2.91Å; I412-V414 VanDerWaalsContact C-N 3.28Å; I412-V414 PolarHBondContact O-N 3.42Å; V414-A418 WeakPolarHBondContact O-CB 3.45Å; V414-A418 PolarHBondContact O-N 3.02Å; V414-A418 VanDerWaalsContact O-N 3.09Å
415	W	92.3	Very high	92.7	Very high	76 Å²	76	44.5 Å²	44.5	29%	0.288	24%	0.241	S	C	.	.	H	α-helix	trans	-71.3	-38.7	176.8	-66.9	87.1	0	0	0	112.3	P184 V187 M188 L409 I412 S413 A418 A419	P184-W415 HydrophobicContact CB-CD2 3.69Å; P184-W415 HydrophobicContact CB-CE3 3.45Å; P184-W415 VanDerWaalsContact CB-CE3 3.45Å; P184-W415 HydrophobicContact CB-CG 4.3Å; P184-W415 HydrophobicContact CB-CH2 4.16Å; P184-W415 HydrophobicContact CB-CZ2 4.36Å; P184-W415 HydrophobicContact CB-CZ3 3.71Å; V187-W415 HydrophobicContact CB-CZ3 4.25Å; V187-W415 HydrophobicContact CG1-CZ3 4.19Å; M188-W415 HydrophobicContact CE-CB 4.47Å; M188-W415 HydrophobicContact CE-CE3 3.95Å; L409-W415 PolarHBondContact O-NE1 3.3Å; I412-W415 PolarHBondContact O-N 3Å; S413-W415 VanDerWaalsContact C-N 3.31Å; S413-W415 PolarHBondContact O-N 3.09Å; W415-A418 PolarHBondContact O-N 3.25Å; W415-A419 WeakPolarHBondContact O-CB 3.5Å; W415-A419 PolarHBondContact O-N 2.93Å
416	S	87.5	Confident	92.8	Very high	23 Å²	23	40.5 Å²	40.5	16%	0.161	22%	0.219	C	C	.	.	H	α-helix	trans	-64.6	-42.1	175.9	-174.8	0	0	0	0	112.2	I412 S413 A419 S420	I412-S416 PolarHBondContact O-N 3.46Å; S413-S416 PolarHBondContact O-N 2.73Å; S416-A419 PolarHBondContact O-N 3.04Å; S416-S420 WeakPolarHBondContact O-CB 3.46Å; S416-S420 PolarHBondContact O-N 3.39Å; S416-S420 PolarHBondContact O-OG 3.18Å
417	D	90.4	Very high	92.6	Very high	34 Å²	34	34.3 Å²	34.3	18%	0.182	19%	0.192	C	C	.	.	H	α-helix	trans	-65.1	-43.2	176.6	-79.3	-1.6	0	0	0	111.3	I172 R175 N176 F181 S413 A419 S420 Q421	I172-D417 HydrophobicContact CG2-CB 4.08Å; R175-D417 IonicContact CZ-OD2 3.77Å; R175-D417 IonicContact NE-OD2 3.83Å; R175-D417 IonicContact NH2-OD1 2.72Å; R175-D417 IonicContact NH2-OD2 3.45Å; R175-D417 PolarHBondContact NH2-OD2 2.88Å; N176-D417 WeakPolarHBondContact ND2-CB 3.22Å; N176-D417 PolarHBondContact ND2-OD2 2.85Å; F181-D417 HydrophobicContact CE2-CB 4.3Å; S413-D417 WeakPolarHBondContact O-CB 3.5Å; S413-D417 PolarHBondContact O-N 3.45Å; D417-A419 PolarHBondContact O-N 3.43Å; D417-S420 PolarHBondContact O-N 2.8Å; D417-Q421 WeakPolarHBondContact O-CB 3.44Å; D417-Q421 PolarHBondContact O-N 3.16Å
418	A	94.4	Very high	92.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.3	-46.2	175.2	0	0	0	0	0	112.1	F181 P184 M188 V414 W415 I422	F181-A418 HydrophobicContact CD2-CB 4.42Å; F181-A418 HydrophobicContact CE2-CB 3.62Å; F181-A418 HydrophobicContact CZ-CB 3.84Å; P184-A418 HydrophobicContact CB-CB 3.86Å; P184-A418 HydrophobicContact CG-CB 4.29Å; M188-A418 HydrophobicContact CG-CB 4.3Å; V414-A418 WeakPolarHBondContact O-CB 3.45Å; V414-A418 PolarHBondContact O-N 3.02Å; V414-A418 VanDerWaalsContact O-N 3.09Å; W415-A418 PolarHBondContact O-N 3.25Å; A418-I422 WeakPolarHBondContact O-CG1 3.43Å; A418-I422 PolarHBondContact O-N 2.86Å; A418-I422 VanDerWaalsContact O-N 3.09Å
419	A	90.5	Very high	92.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.2	-46.7	178.7	0	0	0	0	0	111.7	M188 W415 S416 D417 Q421 I422 F423 I639	M188-A419 HydrophobicContact CB-CB 4.39Å; M188-A419 HydrophobicContact CE-CB 4.15Å; M188-A419 HydrophobicContact CG-CB 3.78Å; M188-A419 HydrophobicContact SD-CB 3.64Å; W415-A419 WeakPolarHBondContact O-CB 3.5Å; W415-A419 PolarHBondContact O-N 2.93Å; S416-A419 PolarHBondContact O-N 3.04Å; D417-A419 PolarHBondContact O-N 3.43Å; A419-Q421 PolarHBondContact O-N 2.77Å; A419-I422 PolarHBondContact O-N 3.27Å; A419-F423 HydrophobicContact CB-CD2 4.34Å; A419-F423 HydrophobicContact CB-CE2 4.11Å; A419-F423 WeakPolarHBondContact O-CD2 3.22Å; A419-F423 WeakPolarHBondContact O-CG 3.38Å; A419-F423 PolarHBondContact O-N 2.74Å; A419-I639 HydrophobicContact CB-CD1 3.28Å; A419-I639 HydrophobicContact CB-CG1 4.27Å
420	S	89	Confident	92.3	Very high	12 Å²	12	29.4 Å²	29.4	8%	0.084	16%	0.158	C	C	.	.	H	α-helix	trans	-57.3	-49.3	176.9	-60.4	0	0	0	0	110.7	S416 D417 I422 F423 F424	S416-S420 WeakPolarHBondContact O-CB 3.46Å; S416-S420 PolarHBondContact O-N 3.39Å; S416-S420 PolarHBondContact O-OG 3.18Å; D417-S420 PolarHBondContact O-N 2.8Å; S420-I422 VanDerWaalsContact C-N 3.32Å; S420-I422 PolarHBondContact O-N 2.74Å; S420-F423 PolarHBondContact O-N 3.17Å; S420-F424 WeakPolarHBondContact O-CB 3.42Å; S420-F424 WeakPolarHBondContact O-CD2 3.45Å; S420-F424 PolarHBondContact O-N 2.95Å
421	Q	93.1	Very high	92.4	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.019	12%	0.118	C	C	.	.	H	α-helix	trans	-58.3	-43	178.6	-178.7	59.4	43.2	0	0	112.1	F169 Y185 D417 A419 S425	F169-Q421 HydrophobicContact CB-CG 4.33Å; F169-Q421 HydrophobicContact CD2-CG 4.04Å; Y185-Q421 HydrophobicContact CD2-CG 4.46Å; Y185-Q421 HydrophobicContact CE2-CG 3.95Å; D417-Q421 WeakPolarHBondContact O-CB 3.44Å; D417-Q421 PolarHBondContact O-N 3.16Å; A419-Q421 PolarHBondContact O-N 2.77Å; Q421-S425 WeakPolarHBondContact O-CB 3.49Å; Q421-S425 PolarHBondContact O-N 3.31Å
422	I	95.1	Very high	92.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.1	-48.4	178	-74.6	-66.2	0	0	0	112.1	Y185 M188 A418 A419 S420 L426	Y185-I422 HydrophobicContact CD1-CD1 4.26Å; Y185-I422 HydrophobicContact CD2-CD1 3.73Å; Y185-I422 HydrophobicContact CD2-CG1 3.79Å; Y185-I422 HydrophobicContact CE1-CD1 3.82Å; Y185-I422 HydrophobicContact CE2-CD1 3.23Å; Y185-I422 HydrophobicContact CE2-CG1 3.69Å; Y185-I422 HydrophobicContact CG-CD1 4.21Å; Y185-I422 HydrophobicContact CG-CG1 4.43Å; M188-I422 HydrophobicContact CB-CB 4.4Å; M188-I422 HydrophobicContact CB-CG1 4.09Å; A418-I422 WeakPolarHBondContact O-CG1 3.43Å; A418-I422 PolarHBondContact O-N 2.86Å; A418-I422 VanDerWaalsContact O-N 3.09Å; A419-I422 PolarHBondContact O-N 3.27Å; S420-I422 VanDerWaalsContact C-N 3.32Å; S420-I422 PolarHBondContact O-N 2.74Å; I422-L426 HydrophobicContact CG2-CD1 4.14Å; I422-L426 WeakPolarHBondContact O-CB 3.3Å; I422-L426 PolarHBondContact O-N 3.43Å
423	F	90.8	Very high	93.1	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.018	7%	0.069	C	C	.	.	H	α-helix	trans	-68.3	-42.7	-176.6	-68.7	-52.8	0	0	0	112	L196 A419 S420 G427 P428 L636 I639	L196-F423 HydrophobicContact CD1-CD1 4.1Å; L196-F423 HydrophobicContact CD1-CE1 3.55Å; L196-F423 HydrophobicContact CD1-CZ 4.37Å; A419-F423 HydrophobicContact CB-CD2 4.34Å; A419-F423 HydrophobicContact CB-CE2 4.11Å; A419-F423 WeakPolarHBondContact O-CD2 3.22Å; A419-F423 WeakPolarHBondContact O-CG 3.38Å; A419-F423 PolarHBondContact O-N 2.74Å; S420-F423 PolarHBondContact O-N 3.17Å; F423-G427 PolarHBondContact O-N 3.21Å; F423-P428 WeakPolarHBondContact O-CD 3.35Å; F423-L636 HydrophobicContact CD2-CD2 4.13Å; F423-L636 HydrophobicContact CE1-CD2 4.36Å; F423-L636 HydrophobicContact CE2-CD2 3.95Å; F423-L636 HydrophobicContact CG-CD2 4.43Å; F423-L636 HydrophobicContact CZ-CD2 4.07Å; F423-L636 HydrophobicContact CZ-CG 4.43Å; F423-I639 HydrophobicContact CD2-CD1 4.38Å; F423-I639 HydrophobicContact CE2-CD1 3.88Å
424	F	88.6	Confident	93.5	Very high	29 Å²	29	10.4 Å²	10.4	13%	0.127	5%	0.05	C	C	.	.	H	α-helix	trans	-69.5	-37	178.1	-69.4	-58.7	0	0	0	112.7	S420 F430 P585 I588	S420-F424 WeakPolarHBondContact O-CB 3.42Å; S420-F424 WeakPolarHBondContact O-CD2 3.45Å; S420-F424 PolarHBondContact O-N 2.95Å; F424-F430 HydrophobicContact CD1-CE2 4.28Å; F424-F430 HydrophobicContact CD1-CZ 4.34Å; F424-P585 HydrophobicContact CE1-CB 4.09Å; F424-P585 HydrophobicContact CE2-CB 4.17Å; F424-P585 HydrophobicContact CZ-CB 3.6Å; F424-P585 HydrophobicContact CZ-CG 4.44Å; F424-P585 WeakPolarHBondContact CZ-O 3.41Å; F424-I588 HydrophobicContact CD1-CD1 4.34Å; F424-I588 HydrophobicContact CE1-CB 4.16Å; F424-I588 HydrophobicContact CE1-CD1 3.99Å; F424-I588 HydrophobicContact CE1-CG2 4.21Å
425	S	94.9	Very high	93.8	Very high	3 Å²	3	10.2 Å²	10.2	2%	0.021	5%	0.05	C	C	.	.	H	α-helix	trans	-71.7	-45.9	179.7	170.8	0	0	0	0	112.7	A160 N165 Q421 G427 N457	A160-S425 CarbonylContact C-O 3.33Å; A160-S425 WeakPolarHBondContact CA-O 3.39Å; A160-S425 PolarHBondContact O-OG 2.91Å; N165-S425 PolarHBondContact ND2-OG 3.42Å; N165-S425 PolarHBondContact OD1-OG 2.91Å; Q421-S425 WeakPolarHBondContact O-CB 3.49Å; Q421-S425 PolarHBondContact O-N 3.31Å; S425-G427 VanDerWaalsContact C-N 3.26Å; S425-G427 PolarHBondContact O-N 3.4Å; S425-N457 VanDerWaalsContact OG-CG 3.25Å; S425-N457 PolarHBondContact OG-ND2 3.44Å; S425-N457 PolarHBondContact OG-OD1 3.26Å
426	L	96.6	Very high	94.1	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-71.9	-26.1	177	-72.4	176	0	0	0	112.2	F197 I422 N457	F197-L426 HydrophobicContact CD2-CB 3.84Å; F197-L426 HydrophobicContact CD2-CD2 4.14Å; F197-L426 HydrophobicContact CD2-CG 4.46Å; F197-L426 WeakPolarHBondContact CD2-O 3.4Å; F197-L426 HydrophobicContact CE2-CB 4.34Å; F197-L426 HydrophobicContact CE2-CD2 4.25Å; F197-L426 VanDerWaalsContact CE2-O 3.23Å; F197-L426 WeakPolarHBondContact CE2-O 3.33Å; I422-L426 HydrophobicContact CG2-CD1 4.14Å; I422-L426 WeakPolarHBondContact O-CB 3.3Å; I422-L426 PolarHBondContact O-N 3.43Å; L426-N457 HydrophobicContact CD2-CB 3.96Å; L426-N457 VanDerWaalsContact CD2-ND2 3.31Å; L426-N457 WeakPolarHBondContact CD2-ND2 3.25Å
427	G	93.5	Very high	94.6	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.03	C	C	.	.			trans	74.9	24.8	175.2	0	0	0	0	0	118.9	F423 S425 F430	F423-G427 PolarHBondContact O-N 3.21Å; S425-G427 VanDerWaalsContact C-N 3.26Å; S425-G427 PolarHBondContact O-N 3.4Å; G427-F430 PolarHBondContact O-N 3.21Å
428	P	94.9	Very high	94.8	Very high	1 Å²	1	4.2 Å²	4.2	1%	0.006	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	140.4	161.8	-23.6	34	0	0	0	112	L196 E200 F423 L433	L196-P428 HydrophobicContact CB-CB 3.97Å; L196-P428 HydrophobicContact CB-CG 3.9Å; E200-P428 VanDerWaalsContact OE1-C 3.27Å; E200-P428 WeakPolarHBondContact OE1-CA 3.27Å; E200-P428 VanDerWaalsContact OE1-CB 3.23Å; E200-P428 WeakPolarHBondContact OE1-CB 3.34Å; F423-P428 WeakPolarHBondContact O-CD 3.35Å; P428-L433 HydrophobicContact CG-CD1 4.38Å
429	G	93.4	Very high	94.9	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	-8.9	-179.5	0	0	0	0	0	115.6	E200 G431	E200-G429 PolarHBondContact OE1-N 2.99Å; G429-G431 VanDerWaalsContact C-N 3.27Å
430	F	95.6	Very high	95	Very high	27 Å²	27	5 Å²	5	12%	0.118	3%	0.025	C	C	.	.	S	Bend	trans	-82.2	-7.1	173.1	-74.6	-90.9	0	0	0	112.6	F159 I229 I232 T236 F424 G427 V432 I588	F159-F430 HydrophobicContact CZ-CB 4.2Å; F159-F430 HydrophobicContact CZ-CD2 4.5Å; I229-F430 VanDerWaalsContact CG2-C 3.49Å; I229-F430 WeakPolarHBondContact CG2-O 3.48Å; I232-F430 HydrophobicContact CG2-CD1 4.28Å; I232-F430 HydrophobicContact CG2-CE1 4.29Å; T236-F430 HydrophobicContact CG2-CE1 4.45Å; F424-F430 HydrophobicContact CD1-CE2 4.28Å; F424-F430 HydrophobicContact CD1-CZ 4.34Å; G427-F430 PolarHBondContact O-N 3.21Å; F430-V432 HydrophobicContact CB-CG2 3.91Å; F430-V432 PolarHBondContact O-N 2.84Å; F430-V432 VanDerWaalsContact O-N 3.11Å; F430-I588 HydrophobicContact CD1-CD1 3.94Å; F430-I588 HydrophobicContact CD2-CD1 3.84Å; F430-I588 HydrophobicContact CE1-CD1 3.43Å; F430-I588 VanDerWaalsContact CE1-CD1 3.43Å; F430-I588 HydrophobicContact CE2-CD1 3.35Å; F430-I588 HydrophobicContact CG-CD1 4.14Å; F430-I588 HydrophobicContact CZ-CD1 3.13Å
431	G	97.1	Very high	95.1	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.01	5%	0.047	C	C	.	.	S	Bend	trans	70	-1.2	-175.6	0	0	0	0	0	114.7	G429 A435	G429-G431 VanDerWaalsContact C-N 3.27Å; G431-A435 WeakPolarHBondContact O-CB 3.43Å; G431-A435 PolarHBondContact O-N 3.38Å
432	V	98.2	Very high	94.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-66.5	-45.9	178.7	-179.7	0	0	0	0	110.7	F159 F430 L434 A435 L436 G529 A533	F159-V432 HydrophobicContact CB-CG1 4.29Å; F159-V432 HydrophobicContact CD1-CB 4.23Å; F159-V432 HydrophobicContact CD1-CG1 3.82Å; F159-V432 HydrophobicContact CD2-CB 4.1Å; F159-V432 HydrophobicContact CD2-CG1 3.62Å; F159-V432 HydrophobicContact CD2-CG2 4.12Å; F159-V432 HydrophobicContact CE1-CB 3.89Å; F159-V432 HydrophobicContact CE1-CG1 4.02Å; F159-V432 HydrophobicContact CE2-CB 3.77Å; F159-V432 HydrophobicContact CE2-CG1 3.84Å; F159-V432 HydrophobicContact CE2-CG2 3.56Å; F159-V432 HydrophobicContact CG-CB 4.32Å; F159-V432 HydrophobicContact CG-CG1 3.61Å; F159-V432 HydrophobicContact CZ-CB 3.64Å; F159-V432 HydrophobicContact CZ-CG1 4.03Å; F159-V432 HydrophobicContact CZ-CG2 3.78Å; F430-V432 HydrophobicContact CB-CG2 3.91Å; F430-V432 PolarHBondContact O-N 2.84Å; F430-V432 VanDerWaalsContact O-N 3.11Å; V432-L434 VanDerWaalsContact C-N 3.32Å; V432-L434 PolarHBondContact O-N 3.47Å; V432-A435 PolarHBondContact O-N 3.35Å; V432-A435 VanDerWaalsContact O-N 3.17Å; V432-L436 HydrophobicContact CG1-CD1 3.65Å; V432-L436 HydrophobicContact CG1-CG 3.97Å; V432-L436 WeakPolarHBondContact O-CB 3.13Å; V432-L436 WeakPolarHBondContact O-CG 2.98Å; V432-L436 PolarHBondContact O-N 3.48Å; V432-G529 VanDerWaalsContact CG1-CA 3.49Å; V432-G529 VanDerWaalsContact CG2-C 3.48Å; V432-G529 WeakPolarHBondContact CG2-O 3.37Å; V432-A533 HydrophobicContact CG2-CB 4.11Å
433	L	98.4	Very high	94.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.2	-41.7	178.6	-57.1	-179.4	0	0	0	111.3	V156 F159 F197 E200 L201 P428 S437	V156-L433 HydrophobicContact CG1-CD2 4.13Å; F159-L433 HydrophobicContact CD1-CD2 3.93Å; F159-L433 HydrophobicContact CE1-CD2 3.92Å; F159-L433 HydrophobicContact CE1-CG 4.26Å; F197-L433 HydrophobicContact CB-CD1 4.48Å; F197-L433 HydrophobicContact CD2-CD1 3.35Å; F197-L433 HydrophobicContact CD2-CD2 4.06Å; F197-L433 HydrophobicContact CD2-CG 4.35Å; F197-L433 HydrophobicContact CE2-CD1 3.69Å; F197-L433 HydrophobicContact CE2-CD2 3.46Å; F197-L433 VanDerWaalsContact CE2-CD2 3.46Å; F197-L433 HydrophobicContact CE2-CG 4.22Å; F197-L433 HydrophobicContact CG-CD1 3.95Å; F197-L433 HydrophobicContact CZ-CD1 4.48Å; F197-L433 HydrophobicContact CZ-CD2 3.77Å; E200-L433 HydrophobicContact CB-CB 3.78Å; E200-L433 HydrophobicContact CB-CD1 4.16Å; L201-L433 HydrophobicContact CD2-CB 3.92Å; L201-L433 HydrophobicContact CD2-CD2 4.13Å; P428-L433 HydrophobicContact CG-CD1 4.38Å; L433-S437 VanDerWaalsContact O-CB 3.23Å; L433-S437 WeakPolarHBondContact O-CB 3.48Å; L433-S437 PolarHBondContact O-N 3.26Å; L433-S437 VanDerWaalsContact O-N 3.07Å; L433-S437 PolarHBondContact O-OG 2.9Å
434	L	97.8	Very high	94.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.4	-49.9	172.1	-67	171.8	0	0	0	111.5	E200 L203 C211 W215 V432 S437 S438	E200-L434 HydrophobicContact CB-CD2 4.29Å; E200-L434 HydrophobicContact CB-CG 4.38Å; E200-L434 HydrophobicContact CG-CD2 4.34Å; E200-L434 HydrophobicContact CG-CG 4.28Å; E200-L434 WeakPolarHBondContact O-CD2 3.33Å; L203-L434 HydrophobicContact CB-CD2 3.87Å; L203-L434 HydrophobicContact CD2-CD2 3.84Å; L203-L434 HydrophobicContact CG-CD2 3.85Å; C211-L434 HydrophobicContact CB-CD1 4.24Å; W215-L434 HydrophobicContact CZ2-CD1 4.28Å; V432-L434 VanDerWaalsContact C-N 3.32Å; V432-L434 PolarHBondContact O-N 3.47Å; L434-S437 PolarHBondContact O-OG 3.26Å; L434-S438 VanDerWaalsContact O-CB 3.29Å; L434-S438 WeakPolarHBondContact O-CB 3.19Å; L434-S438 PolarHBondContact O-N 3.36Å
435	A	97.8	Very high	95.1	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.008	8%	0.081	C	C	.	.	H	α-helix	trans	-65.2	-52.6	-178.2	0	0	0	0	0	112.1	G431 V432 S437 S438 Y439 A533 T536	G431-A435 WeakPolarHBondContact O-CB 3.43Å; G431-A435 PolarHBondContact O-N 3.38Å; V432-A435 PolarHBondContact O-N 3.35Å; V432-A435 VanDerWaalsContact O-N 3.17Å; A435-S437 PolarHBondContact O-N 3.48Å; A435-S438 WeakPolarHBondContact O-CB 3.44Å; A435-S438 PolarHBondContact O-N 3Å; A435-S438 PolarHBondContact O-OG 3.45Å; A435-Y439 WeakPolarHBondContact O-CD2 3.28Å; A435-Y439 WeakPolarHBondContact O-CE2 3.42Å; A435-A533 HydrophobicContact CB-CB 4.19Å; A435-T536 HydrophobicContact CB-CG2 4.38Å
436	L	98.2	Very high	95.2	Very high	7 Å²	7	17 Å²	17	4%	0.037	8%	0.08	C	C	.	.	H	α-helix	trans	-62.1	-42.4	-178.1	-63.4	179.2	0	0	0	112	W146 F152 A155 V156 V432 S438 Y439	W146-L436 HydrophobicContact CH2-CD2 4.02Å; W146-L436 HydrophobicContact CZ2-CB 4.25Å; W146-L436 HydrophobicContact CZ2-CD2 3.78Å; W146-L436 PolarHBondContact NE1-O 2.98Å; F152-L436 HydrophobicContact CD2-CB 4.47Å; F152-L436 HydrophobicContact CE2-CB 4.1Å; A155-L436 HydrophobicContact CB-CD1 4.47Å; V156-L436 HydrophobicContact CG2-CB 4.17Å; V156-L436 HydrophobicContact CG2-CD1 3.84Å; V432-L436 HydrophobicContact CG1-CD1 3.65Å; V432-L436 HydrophobicContact CG1-CG 3.97Å; V432-L436 WeakPolarHBondContact O-CB 3.13Å; V432-L436 WeakPolarHBondContact O-CG 2.98Å; V432-L436 PolarHBondContact O-N 3.48Å; L436-S438 VanDerWaalsContact C-N 3.33Å; L436-S438 PolarHBondContact O-N 3.44Å; L436-Y439 PolarHBondContact O-N 3.12Å
437	S	97.7	Very high	95.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-72.5	-24.5	179.9	64.6	0	0	0	0	113.4	L201 G204 Q205 L433 L434 A435 Y439 N440	L201-S437 WeakPolarHBondContact O-CB 3.43Å; L201-S437 PolarHBondContact O-OG 3.31Å; G204-S437 VanDerWaalsContact CA-OG 3.26Å; G204-S437 WeakPolarHBondContact CA-OG 3.3Å; Q205-S437 WeakPolarHBondContact CA-O 3.19Å; Q205-S437 PolarHBondContact N-OG 3.26Å; L433-S437 VanDerWaalsContact O-CB 3.23Å; L433-S437 WeakPolarHBondContact O-CB 3.48Å; L433-S437 PolarHBondContact O-N 3.26Å; L433-S437 VanDerWaalsContact O-N 3.07Å; L433-S437 PolarHBondContact O-OG 2.9Å; L434-S437 PolarHBondContact O-OG 3.26Å; A435-S437 PolarHBondContact O-N 3.48Å; S437-Y439 PolarHBondContact O-N 3.18Å; S437-N440 VanDerWaalsContact O-CB 3.23Å; S437-N440 WeakPolarHBondContact O-CB 3.06Å; S437-N440 PolarHBondContact O-N 2.98Å
438	S	95.5	Very high	95.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.3	-20.6	176.6	74.6	0	0	0	0	114.5	R143 G204 L434 A435 L436	R143-S438 VanDerWaalsContact CZ-OG 3.23Å; R143-S438 PolarHBondContact NE-O 3.5Å; R143-S438 PolarHBondContact NE-OG 2.89Å; R143-S438 PolarHBondContact NH2-OG 3.01Å; G204-S438 VanDerWaalsContact O-CA 3.28Å; G204-S438 WeakPolarHBondContact O-CA 3.11Å; L434-S438 VanDerWaalsContact O-CB 3.29Å; L434-S438 WeakPolarHBondContact O-CB 3.19Å; L434-S438 PolarHBondContact O-N 3.36Å; A435-S438 WeakPolarHBondContact O-CB 3.44Å; A435-S438 PolarHBondContact O-N 3Å; A435-S438 PolarHBondContact O-OG 3.45Å; L436-S438 VanDerWaalsContact C-N 3.33Å; L436-S438 PolarHBondContact O-N 3.44Å
439	Y	95.3	Very high	95.7	Very high	11 Å²	11	28.2 Å²	28.2	4%	0.043	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	2.1	174.3	-62.4	-76.7	0	0	0	112.9	R143 E144 I145 W146 V363 A435 L436 S437 E532 T536	R143-Y439 HydrophobicContact CG-CD1 4.09Å; R143-Y439 HydrophobicContact CG-CE1 4.09Å; R143-Y439 VanDerWaalsContact NH2-CZ 3.31Å; E144-Y439 HydrophobicContact CB-CD1 4.12Å; E144-Y439 HydrophobicContact CB-CE1 4.27Å; E144-Y439 WeakPolarHBondContact O-CD1 3.49Å; I145-Y439 WeakPolarHBondContact CA-O 3.36Å; I145-Y439 WeakPolarHBondContact CB-O 3.18Å; W146-Y439 PolarHBondContact N-O 2.8Å; V363-Y439 HydrophobicContact CB-CG 4.5Å; V363-Y439 HydrophobicContact CG1-CD1 4.05Å; V363-Y439 HydrophobicContact CG1-CD2 3.42Å; V363-Y439 VanDerWaalsContact CG1-CD2 3.42Å; V363-Y439 HydrophobicContact CG1-CE1 4.47Å; V363-Y439 HydrophobicContact CG1-CE2 3.91Å; V363-Y439 HydrophobicContact CG1-CG 3.51Å; V363-Y439 HydrophobicContact CG2-CD1 4.18Å; V363-Y439 HydrophobicContact CG2-CG 4.23Å; A435-Y439 WeakPolarHBondContact O-CD2 3.28Å; A435-Y439 WeakPolarHBondContact O-CE2 3.42Å; L436-Y439 PolarHBondContact O-N 3.12Å; S437-Y439 PolarHBondContact O-N 3.18Å; Y439-E532 HydrophobicContact CE2-CG 4.45Å; Y439-E532 PolarHBondContact OH-OE1 3.06Å; Y439-T536 HydrophobicContact CE2-CG2 4.23Å; Y439-T536 PolarHBondContact OH-OG1 2.9Å
440	N	94.4	Very high	96	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.027	12%	0.123	C	C	.	.	S	Bend	trans	-72.6	155	174.3	-75.6	-19	0	0	0	112.3	F152 Q205 S437 N444	F152-N440 VanDerWaalsContact CD2-OD1 3.24Å; F152-N440 WeakPolarHBondContact CD2-OD1 3.2Å; F152-N440 WeakPolarHBondContact CE1-ND2 3.49Å; F152-N440 WeakPolarHBondContact CE2-ND2 3.42Å; F152-N440 WeakPolarHBondContact CG-OD1 3.49Å; F152-N440 WeakPolarHBondContact CZ-ND2 3.24Å; Q205-N440 HydrophobicContact CG-CB 4.01Å; Q205-N440 PolarHBondContact OE1-ND2 3.44Å; S437-N440 VanDerWaalsContact O-CB 3.23Å; S437-N440 WeakPolarHBondContact O-CB 3.06Å; S437-N440 PolarHBondContact O-N 2.98Å; N440-N444 HydrophobicContact CB-CB 3.96Å; N440-N444 PolarHBondContact ND2-ND2 3.41Å
441	K	90	Very high	96.1	Very high	127 Å²	127	30 Å²	30	55%	0.552	13%	0.132	S	C	*	.			trans	-61.3	145.3	161.5	-63.9	-178.5	-178.1	178.7	0	108.9	I145 H443 N444	I145-K441 HydrophobicContact CD1-CG 4.33Å; K441-H443 VanDerWaalsContact C-N 3.27Å; K441-H443 PolarHBondContact O-N 3.01Å; K441-N444 VanDerWaalsContact O-CB 3.26Å; K441-N444 WeakPolarHBondContact O-CB 3.15Å; K441-N444 PolarHBondContact O-N 3.29Å
442	F	88	Confident	96.2	Very high	9 Å²	9	32.3 Å²	32.3	4%	0.039	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-38.9	-173.3	-172.7	-102	0	0	0	113.9	Q205 Y206 M614 M615 Q714 I716	Q205-F442 PolarHBondContact NE2-O 3.33Å; Y206-F442 AromaticContact CD2-CE2 3.94Å; Y206-F442 HydrophobicContact CD2-CE2 3.94Å; Y206-F442 HydrophobicContact CD2-CZ 4.12Å; Y206-F442 HydrophobicContact CE2-CE2 4.36Å; Y206-F442 HydrophobicContact CE2-CZ 4.27Å; F442-M614 HydrophobicContact CE1-CB 4.47Å; F442-M614 HydrophobicContact CZ-CB 4.3Å; F442-M615 HydrophobicContact CD1-CG 4.41Å; F442-M615 HydrophobicContact CD2-CG 4.18Å; F442-M615 HydrophobicContact CE1-CB 4.38Å; F442-M615 HydrophobicContact CE1-CG 3.82Å; F442-M615 HydrophobicContact CE2-CG 3.58Å; F442-M615 HydrophobicContact CE2-SD 4.34Å; F442-M615 HydrophobicContact CZ-CB 4.32Å; F442-M615 HydrophobicContact CZ-CG 3.34Å; F442-Q714 HydrophobicContact CB-CG 4.4Å; F442-Q714 HydrophobicContact CD2-CG 4.04Å; F442-Q714 HydrophobicContact CG-CG 4.25Å; F442-I716 HydrophobicContact CD1-CD1 3.9Å; F442-I716 HydrophobicContact CD2-CD1 4.36Å; F442-I716 HydrophobicContact CE1-CD1 3.18Å; F442-I716 HydrophobicContact CE1-CG1 4.06Å; F442-I716 HydrophobicContact CE2-CD1 3.71Å; F442-I716 HydrophobicContact CG-CD1 4.46Å; F442-I716 HydrophobicContact CZ-CD1 3.08Å; F442-I716 HydrophobicContact CZ-CG1 4.36Å
443	H	90	Very high	96.2	Very high	100 Å²	100	32.3 Å²	32.3	46%	0.463	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	22.5	177.1	-63	-61.8	0	0	0	113.9	K441 M614 M615	K441-H443 VanDerWaalsContact C-N 3.27Å; K441-H443 PolarHBondContact O-N 3.01Å; H443-M614 PolarHBondContact CE1-O 2.82Å; H443-M615 PolarHBondContact ND1-O 3.44Å
444	N	93.7	Very high	96.2	Very high	7 Å²	7	32.3 Å²	32.3	4%	0.037	14%	0.144	C	C	.	.			trans	-65.9	142.5	170.8	-175.1	60	0	0	0	109.9	Q205 N440 K441 C446 D449 L616	Q205-N444 PolarHBondContact NE2-O 3.49Å; Q205-N444 PolarHBondContact OE1-O 2.94Å; N440-N444 HydrophobicContact CB-CB 3.96Å; N440-N444 PolarHBondContact ND2-ND2 3.41Å; K441-N444 VanDerWaalsContact O-CB 3.26Å; K441-N444 WeakPolarHBondContact O-CB 3.15Å; K441-N444 PolarHBondContact O-N 3.29Å; N444-C446 VanDerWaalsContact C-N 3.27Å; N444-C446 PolarHBondContact O-N 3.14Å; N444-D449 PolarHBondContact ND2-OD2 3.47Å; N444-L616 WeakPolarHBondContact O-CD2 3.05Å
445	N	96.6	Very high	96.2	Very high	62 Å²	62	38.5 Å²	38.5	33%	0.332	17%	0.171	S	C	.	.			trans	-83.8	72.2	-173.8	-170.3	-14.5	0	0	0	110.9	Y447 R448 D449	N445-Y447 PolarHBondContact O-N 3.47Å; N445-R448 HydrophobicContact CB-CB 4.19Å; N445-R448 WeakPolarHBondContact O-CB 3.46Å; N445-R448 PolarHBondContact O-N 2.94Å; N445-R448 PolarHBondContact OD1-N 3.32Å; N445-D449 PolarHBondContact O-N 3.21Å; N445-D449 VanDerWaalsContact O-N 3.11Å
446	C	97.4	Very high	96.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.1	-22.7	-179	60.6	0	0	0	0	113.5	L201 N444 A450	L201-C446 HydrophobicContact CB-CB 4.27Å; N444-C446 VanDerWaalsContact C-N 3.27Å; N444-C446 PolarHBondContact O-N 3.14Å; C446-A450 VanDerWaalsContact O-CB 3.32Å; C446-A450 WeakPolarHBondContact O-CB 3.47Å; C446-A450 PolarHBondContact O-N 3.41Å
447	Y	98.3	Very high	96.2	Very high	73 Å²	73	40.2 Å²	40.2	29%	0.286	18%	0.18	S	C	.	.	H	α-helix	trans	-63.8	-49.3	170.2	175.2	-95.7	0	0	0	111.5	Y198 N445 D449 A450 M451 F618 W624	Y198-Y447 HydrophobicContact CD1-CD2 4.25Å; Y198-Y447 AromaticContact CE1-CD2 3.84Å; Y198-Y447 HydrophobicContact CE1-CD2 3.84Å; Y198-Y447 HydrophobicContact CE1-CE2 4.5Å; Y198-Y447 HydrophobicContact CE2-CD2 4.18Å; Y198-Y447 AromaticContact CZ-CD2 3.79Å; N445-Y447 PolarHBondContact O-N 3.47Å; Y447-D449 VanDerWaalsContact C-N 3.3Å; Y447-D449 PolarHBondContact O-N 3.34Å; Y447-A450 PolarHBondContact O-N 2.89Å; Y447-M451 HydrophobicContact CD1-CG 4.34Å; Y447-M451 HydrophobicContact CE1-CG 3.93Å; Y447-M451 HydrophobicContact CE2-CG 4.34Å; Y447-M451 HydrophobicContact CE2-SD 4.41Å; Y447-M451 WeakPolarHBondContact O-CG 3.34Å; Y447-M451 PolarHBondContact O-N 3Å; Y447-F618 HydrophobicContact CD1-CZ 4.26Å; Y447-F618 HydrophobicContact CG-CE2 4.4Å; Y447-F618 HydrophobicContact CG-CZ 4.02Å; Y447-W624 AromaticContact CE2-CE2 3.88Å; Y447-W624 HydrophobicContact CE2-CH2 4.43Å; Y447-W624 AromaticContact CE2-CZ2 3.57Å; Y447-W624 HydrophobicContact CE2-CZ2 3.57Å; Y447-W624 AromaticContact CE2-NE1 3.94Å
448	R	98.2	Very high	96.2	Very high	153 Å²	153	41 Å²	41	58%	0.577	19%	0.185	S	C	*	.	H	α-helix	trans	-61.3	-42.6	176.3	-180	-177.6	179.1	-148.2	-1.3	110.9	N445 A450 M451 I452	N445-R448 HydrophobicContact CB-CB 4.19Å; N445-R448 WeakPolarHBondContact O-CB 3.46Å; N445-R448 PolarHBondContact O-N 2.94Å; N445-R448 PolarHBondContact OD1-N 3.32Å; R448-A450 VanDerWaalsContact C-N 3.31Å; R448-A450 PolarHBondContact O-N 3.24Å; R448-M451 PolarHBondContact O-N 3.33Å; R448-I452 HydrophobicContact CG-CD1 3.62Å; R448-I452 HydrophobicContact CG-CG1 4.22Å; R448-I452 WeakPolarHBondContact O-CB 3.45Å; R448-I452 WeakPolarHBondContact O-CG1 3.3Å; R448-I452 PolarHBondContact O-N 3.42Å
449	D	98.5	Very high	96.3	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.053	20%	0.199	C	C	.	.	H	α-helix	trans	-64.4	-38.9	-179.7	-57	-31.1	0	0	0	111.1	F152 L153 N444 N445 Y447 T453	F152-D449 HydrophobicContact CE1-CB 3.83Å; F152-D449 VanDerWaalsContact CE1-OD2 3.3Å; F152-D449 WeakPolarHBondContact CE1-OD2 3.33Å; L153-D449 HydrophobicContact CD1-CB 4.3Å; N444-D449 PolarHBondContact ND2-OD2 3.47Å; N445-D449 PolarHBondContact O-N 3.21Å; N445-D449 VanDerWaalsContact O-N 3.11Å; Y447-D449 VanDerWaalsContact C-N 3.3Å; Y447-D449 PolarHBondContact O-N 3.34Å; D449-T453 VanDerWaalsContact O-CB 3.24Å; D449-T453 WeakPolarHBondContact O-CB 3.4Å; D449-T453 PolarHBondContact O-N 2.78Å; D449-T453 PolarHBondContact O-OG1 3.11Å
450	A	98.6	Very high	96.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.5	-48.8	172.6	0	0	0	0	0	112.4	F197 Y198 L201 C446 Y447 R448 S454	F197-A450 HydrophobicContact CD1-CB 3.95Å; F197-A450 HydrophobicContact CE1-CB 4.46Å; Y198-A450 HydrophobicContact CD2-CB 4.19Å; Y198-A450 HydrophobicContact CG-CB 4.33Å; L201-A450 HydrophobicContact CD1-CB 4.07Å; C446-A450 VanDerWaalsContact O-CB 3.32Å; C446-A450 WeakPolarHBondContact O-CB 3.47Å; C446-A450 PolarHBondContact O-N 3.41Å; Y447-A450 PolarHBondContact O-N 2.89Å; R448-A450 VanDerWaalsContact C-N 3.31Å; R448-A450 PolarHBondContact O-N 3.24Å; A450-S454 VanDerWaalsContact O-CB 3.26Å; A450-S454 WeakPolarHBondContact O-CB 3.31Å; A450-S454 PolarHBondContact O-N 3.41Å; A450-S454 VanDerWaalsContact O-N 3.12Å; A450-S454 PolarHBondContact O-OG 2.94Å
451	M	98.5	Very high	96.6	Very high	63 Å²	63	42.3 Å²	42.3	31%	0.31	20%	0.198	S	C	.	.	H	α-helix	trans	-63.6	-45.5	-179.8	-66.5	-57.1	-58.5	0	0	112.2	L194 Y447 R448 F455 W624	L194-M451 HydrophobicContact CD1-SD 3.74Å; L194-M451 HydrophobicContact CD2-CE 4.02Å; L194-M451 HydrophobicContact CD2-SD 3.83Å; L194-M451 HydrophobicContact CG-SD 4.32Å; Y447-M451 HydrophobicContact CD1-CG 4.34Å; Y447-M451 HydrophobicContact CE1-CG 3.93Å; Y447-M451 HydrophobicContact CE2-CG 4.34Å; Y447-M451 HydrophobicContact CE2-SD 4.41Å; Y447-M451 WeakPolarHBondContact O-CG 3.34Å; Y447-M451 PolarHBondContact O-N 3Å; R448-M451 PolarHBondContact O-N 3.33Å; M451-F455 VanDerWaalsContact O-CB 3.24Å; M451-F455 WeakPolarHBondContact O-CB 3.45Å; M451-F455 PolarHBondContact O-N 2.75Å; M451-W624 HydrophobicContact SD-CH2 3.98Å; M451-W624 HydrophobicContact SD-CZ2 4.19Å
452	I	98.6	Very high	96.9	Very high	51 Å²	51	39.9 Å²	39.9	26%	0.262	19%	0.188	S	C	.	.	H	α-helix	trans	-68.1	-51	-178.5	-69.9	177	0	0	0	110.5	L153 R448 F455 I456	L153-I452 HydrophobicContact CD1-CG2 4.25Å; L153-I452 HydrophobicContact CD2-CG2 4.43Å; R448-I452 HydrophobicContact CG-CD1 3.62Å; R448-I452 HydrophobicContact CG-CG1 4.22Å; R448-I452 WeakPolarHBondContact O-CB 3.45Å; R448-I452 WeakPolarHBondContact O-CG1 3.3Å; R448-I452 PolarHBondContact O-N 3.42Å; I452-F455 PolarHBondContact O-N 2.94Å; I452-I456 HydrophobicContact CG2-CD1 3.56Å; I452-I456 HydrophobicContact CG2-CG1 4.34Å; I452-I456 WeakPolarHBondContact O-CB 3.31Å; I452-I456 VanDerWaalsContact O-CG1 3.29Å; I452-I456 WeakPolarHBondContact O-CG1 3.39Å; I452-I456 PolarHBondContact O-N 3.43Å
453	T	98.5	Very high	97.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.4	-46.1	-173.5	-52.6	0	0	0	0	111.5	L153 V156 I157 A160 F197 D449 F455 I456 N457	L153-T453 WeakPolarHBondContact CD1-OG1 3.24Å; V156-T453 HydrophobicContact CG1-CG2 3.83Å; I157-T453 HydrophobicContact CB-CG2 4.3Å; I157-T453 HydrophobicContact CG1-CG2 3.67Å; A160-T453 HydrophobicContact CB-CG2 3.94Å; F197-T453 HydrophobicContact CE1-CG2 4.34Å; F197-T453 HydrophobicContact CZ-CG2 3.81Å; D449-T453 VanDerWaalsContact O-CB 3.24Å; D449-T453 WeakPolarHBondContact O-CB 3.4Å; D449-T453 PolarHBondContact O-N 2.78Å; D449-T453 PolarHBondContact O-OG1 3.11Å; T453-F455 VanDerWaalsContact C-N 3.32Å; T453-F455 PolarHBondContact O-N 3.09Å; T453-I456 PolarHBondContact O-N 2.99Å; T453-N457 WeakPolarHBondContact O-CB 3.36Å; T453-N457 PolarHBondContact O-N 3.34Å
454	S	98.1	Very high	97.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-69	-31.8	-177.7	67.8	0	0	0	0	112.8	Y189 L194 A450 C458	Y189-S454 PolarHBondContact OH-OG 3.13Å; L194-S454 VanDerWaalsContact CD1-OG 3.27Å; L194-S454 WeakPolarHBondContact CD1-OG 3.29Å; A450-S454 VanDerWaalsContact O-CB 3.26Å; A450-S454 WeakPolarHBondContact O-CB 3.31Å; A450-S454 PolarHBondContact O-N 3.41Å; A450-S454 VanDerWaalsContact O-N 3.12Å; A450-S454 PolarHBondContact O-OG 2.94Å; S454-C458 PolarHBondContact O-N 3.23Å; S454-C458 VanDerWaalsContact O-N 3.16Å; S454-C458 PolarHBondContact O-SG 3.2Å
455	F	98.3	Very high	97.7	Very high	130 Å²	130	37.1 Å²	37.1	57%	0.57	18%	0.178	S	C	*	.	H	α-helix	trans	-66.6	-48.8	169.6	174.8	-98.1	0	0	0	111.9	M451 I452 T453 N457 C458 A459	M451-F455 VanDerWaalsContact O-CB 3.24Å; M451-F455 WeakPolarHBondContact O-CB 3.45Å; M451-F455 PolarHBondContact O-N 2.75Å; I452-F455 PolarHBondContact O-N 2.94Å; T453-F455 VanDerWaalsContact C-N 3.32Å; T453-F455 PolarHBondContact O-N 3.09Å; F455-N457 PolarHBondContact O-N 2.98Å; F455-C458 PolarHBondContact O-N 2.95Å; F455-A459 HydrophobicContact CE1-CB 4.35Å; F455-A459 HydrophobicContact CZ-CB 4.46Å; F455-A459 WeakPolarHBondContact O-CB 3.21Å; F455-A459 PolarHBondContact O-N 2.89Å
456	I	98.5	Very high	97.6	Very high	44 Å²	44	36.5 Å²	36.5	23%	0.226	17%	0.173	C	C	.	.	H	α-helix	trans	-57	-42.1	177	-73.9	172.5	0	0	0	110.1	I157 Y378 I452 T453 A459 T460	I157-I456 HydrophobicContact CD1-CD1 3.63Å; I157-I456 HydrophobicContact CG1-CD1 4.35Å; I157-I456 HydrophobicContact CG2-CG2 4.05Å; Y378-I456 HydrophobicContact CE1-CG2 4.32Å; Y378-I456 WeakPolarHBondContact OH-CG2 3.45Å; I452-I456 HydrophobicContact CG2-CD1 3.56Å; I452-I456 HydrophobicContact CG2-CG1 4.34Å; I452-I456 WeakPolarHBondContact O-CB 3.31Å; I452-I456 VanDerWaalsContact O-CG1 3.29Å; I452-I456 WeakPolarHBondContact O-CG1 3.39Å; I452-I456 PolarHBondContact O-N 3.43Å; T453-I456 PolarHBondContact O-N 2.99Å; I456-A459 PolarHBondContact O-N 3.4Å; I456-T460 VanDerWaalsContact O-CB 3.28Å; I456-T460 WeakPolarHBondContact O-CB 3.47Å; I456-T460 PolarHBondContact O-N 3.41Å; I456-T460 PolarHBondContact O-OG1 3.38Å
457	N	98.1	Very high	97.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56.6	-52.5	175.5	176.9	46	0	0	0	112.5	A160 V161 N165 S425 L426 T453 F455 A459 T460 S461	A160-N457 HydrophobicContact CB-CB 4.37Å; A160-N457 PolarHBondContact O-OD1 3.32Å; V161-N457 HydrophobicContact CG2-CB 4.3Å; N165-N457 PolarHBondContact ND2-OD1 2.83Å; N165-N457 PolarHBondContact OD1-OD1 3.12Å; S425-N457 VanDerWaalsContact OG-CG 3.25Å; S425-N457 PolarHBondContact OG-ND2 3.44Å; S425-N457 PolarHBondContact OG-OD1 3.26Å; L426-N457 HydrophobicContact CD2-CB 3.96Å; L426-N457 VanDerWaalsContact CD2-ND2 3.31Å; L426-N457 WeakPolarHBondContact CD2-ND2 3.25Å; T453-N457 WeakPolarHBondContact O-CB 3.36Å; T453-N457 PolarHBondContact O-N 3.34Å; F455-N457 PolarHBondContact O-N 2.98Å; N457-A459 PolarHBondContact O-N 3.24Å; N457-T460 PolarHBondContact O-N 2.97Å; N457-S461 PolarHBondContact O-N 3.02Å; N457-S461 PolarHBondContact O-OG 2.82Å
458	C	98.1	Very high	97.2	Very high	16 Å²	16	33.3 Å²	33.3	11%	0.108	16%	0.161	C	C	.	.	H	α-helix	trans	-64.7	-41.4	179	-65.4	0	0	0	0	112.5	Y185 Y189 S454 F455 S461 F462	Y185-C458 HydrophobicContact CE1-CB 4.11Å; Y189-C458 VanDerWaalsContact CD2-SG 3.51Å; S454-C458 PolarHBondContact O-N 3.23Å; S454-C458 VanDerWaalsContact O-N 3.16Å; S454-C458 PolarHBondContact O-SG 3.2Å; F455-C458 PolarHBondContact O-N 2.95Å; C458-S461 WeakPolarHBondContact O-CB 3.36Å; C458-S461 PolarHBondContact O-N 3.41Å; C458-F462 PolarHBondContact O-N 3.48Å
459	A	97.7	Very high	96.9	Very high	35 Å²	35	26.1 Å²	26.1	29%	0.289	13%	0.134	S	C	.	.	H	α-helix	trans	-63.8	-41.8	177.3	0	0	0	0	0	111.5	F455 I456 N457 F462 V463	F455-A459 HydrophobicContact CE1-CB 4.35Å; F455-A459 HydrophobicContact CZ-CB 4.46Å; F455-A459 WeakPolarHBondContact O-CB 3.21Å; F455-A459 PolarHBondContact O-N 2.89Å; I456-A459 PolarHBondContact O-N 3.4Å; N457-A459 PolarHBondContact O-N 3.24Å; A459-F462 PolarHBondContact O-N 3.43Å; A459-V463 WeakPolarHBondContact O-CB 3.33Å; A459-V463 VanDerWaalsContact O-CG2 3.31Å; A459-V463 WeakPolarHBondContact O-CG2 3.24Å; A459-V463 PolarHBondContact O-N 3.35Å
460	T	97.8	Very high	96.7	Very high	9 Å²	9	25.7 Å²	25.7	6%	0.055	13%	0.132	C	C	.	.	H	α-helix	trans	-65.5	-42.7	178	-54.8	0	0	0	0	111.2	V161 I166 Y378 L381 I456 N457 F462 V463 S464	V161-T460 HydrophobicContact CG1-CG2 3.65Å; I166-T460 HydrophobicContact CD1-CG2 4.23Å; Y378-T460 HydrophobicContact CE1-CG2 4.13Å; Y378-T460 WeakPolarHBondContact CE1-OG1 3.43Å; Y378-T460 PolarHBondContact OH-OG1 3.19Å; L381-T460 HydrophobicContact CD1-CG2 3.93Å; I456-T460 VanDerWaalsContact O-CB 3.28Å; I456-T460 WeakPolarHBondContact O-CB 3.47Å; I456-T460 PolarHBondContact O-N 3.41Å; I456-T460 PolarHBondContact O-OG1 3.38Å; N457-T460 PolarHBondContact O-N 2.97Å; T460-F462 VanDerWaalsContact C-N 3.33Å; T460-F462 PolarHBondContact O-N 2.91Å; T460-V463 PolarHBondContact O-N 3.42Å; T460-S464 VanDerWaalsContact O-CB 3.3Å; T460-S464 WeakPolarHBondContact O-CB 3.28Å; T460-S464 PolarHBondContact O-N 2.83Å
461	S	97.2	Very high	96.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-54.8	-50.4	172.3	-52.1	0	0	0	0	111	N165 F169 N457 C458 S464 G465	N165-S461 PolarHBondContact ND2-OG 3.43Å; F169-S461 VanDerWaalsContact CD1-C 3.48Å; F169-S461 WeakPolarHBondContact CD1-O 3.29Å; F169-S461 VanDerWaalsContact CE1-C 3.49Å; F169-S461 VanDerWaalsContact CE1-O 3.3Å; F169-S461 WeakPolarHBondContact CE1-O 3.47Å; N457-S461 PolarHBondContact O-N 3.02Å; N457-S461 PolarHBondContact O-OG 2.82Å; C458-S461 WeakPolarHBondContact O-CB 3.36Å; C458-S461 PolarHBondContact O-N 3.41Å; S461-S464 PolarHBondContact O-N 3.12Å; S461-S464 PolarHBondContact O-OG 3.15Å; S461-G465 PolarHBondContact O-N 3.48Å
462	F	97.2	Very high	96	Very high	76 Å²	76	23.4 Å²	23.4	33%	0.333	12%	0.121	S	C	.	.	H	α-helix	trans	-62.9	-45.6	-179.7	-179.3	-111	0	0	0	113	L182 Y401 L402 C458 A459 T460 G465 F466	L182-F462 HydrophobicContact CD1-CD2 4.19Å; L182-F462 HydrophobicContact CD1-CE2 3.75Å; L182-F462 HydrophobicContact CD2-CD2 4.15Å; Y401-F462 HydrophobicContact CE1-CE2 4.45Å; Y401-F462 WeakPolarHBondContact OH-CA 3.39Å; Y401-F462 VanDerWaalsContact OH-CD2 3.27Å; Y401-F462 WeakPolarHBondContact OH-CD2 3.41Å; Y401-F462 PolarHBondContact OH-O 2.95Å; L402-F462 HydrophobicContact CD2-CE2 3.89Å; L402-F462 HydrophobicContact CD2-CZ 4.37Å; C458-F462 PolarHBondContact O-N 3.48Å; A459-F462 PolarHBondContact O-N 3.43Å; T460-F462 VanDerWaalsContact C-N 3.33Å; T460-F462 PolarHBondContact O-N 2.91Å; F462-G465 PolarHBondContact O-N 3.17Å; F462-F466 HydrophobicContact CD1-CE2 4.09Å; F462-F466 AromaticContact CE1-CE2 3.55Å; F462-F466 HydrophobicContact CE1-CE2 3.55Å; F462-F466 HydrophobicContact CE1-CZ 4.18Å; F462-F466 HydrophobicContact CE2-CE2 4.14Å; F462-F466 AromaticContact CZ-CE2 3.57Å; F462-F466 HydrophobicContact CZ-CE2 3.57Å; F462-F466 AromaticContact CZ-CZ 3.95Å; F462-F466 HydrophobicContact CZ-CZ 3.95Å; F462-F466 WeakPolarHBondContact O-CD2 3.31Å
463	V	96.7	Very high	95.7	Very high	57 Å²	57	21 Å²	21	35%	0.345	11%	0.109	S	C	.	.	H	α-helix	trans	-64.8	-40.4	177.7	169.6	0	0	0	0	111.3	L385 A459 T460 G465 F466 V467	L385-V463 HydrophobicContact CD2-CG1 4.29Å; A459-V463 WeakPolarHBondContact O-CB 3.33Å; A459-V463 VanDerWaalsContact O-CG2 3.31Å; A459-V463 WeakPolarHBondContact O-CG2 3.24Å; A459-V463 PolarHBondContact O-N 3.35Å; T460-V463 PolarHBondContact O-N 3.42Å; V463-G465 PolarHBondContact O-N 3.33Å; V463-F466 WeakPolarHBondContact O-CB 3.49Å; V463-F466 PolarHBondContact O-N 2.96Å; V463-V467 PolarHBondContact O-N 2.72Å
464	S	95.2	Very high	95.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-56.9	-36.9	177.1	80.5	0	0	0	0	111	N165 P170 T460 S461 F466 V467 V468	N165-S464 PolarHBondContact O-OG 2.81Å; P170-S464 WeakPolarHBondContact CG-OG 3.35Å; T460-S464 VanDerWaalsContact O-CB 3.3Å; T460-S464 WeakPolarHBondContact O-CB 3.28Å; T460-S464 PolarHBondContact O-N 2.83Å; S461-S464 PolarHBondContact O-N 3.12Å; S461-S464 PolarHBondContact O-OG 3.15Å; S464-F466 VanDerWaalsContact C-N 3.25Å; S464-F466 PolarHBondContact O-N 2.83Å; S464-V467 CarbonylContact O-C 3.54Å; S464-V467 WeakPolarHBondContact O-CA 3.48Å; S464-V467 WeakPolarHBondContact O-CB 3.46Å; S464-V467 PolarHBondContact O-N 2.87Å; S464-V468 WeakPolarHBondContact O-CG2 3.21Å; S464-V468 PolarHBondContact O-N 3.15Å
465	G	94.6	Very high	94.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-56.9	-36.6	176.2	0	0	0	0	0	113.6	S461 F462 V463 F469	S461-G465 PolarHBondContact O-N 3.48Å; F462-G465 PolarHBondContact O-N 3.17Å; V463-G465 PolarHBondContact O-N 3.33Å; G465-F469 WeakPolarHBondContact O-CB 3.41Å; G465-F469 PolarHBondContact O-N 3.05Å
466	F	96.4	Very high	94.3	Very high	50 Å²	50	16.3 Å²	16.3	22%	0.219	9%	0.089	C	C	.	.	H	α-helix	trans	-67.5	-42.6	171.5	-68.6	-93.3	0	0	0	112	L385 I398 Y401 L402 F462 V463 S464 V468 S470	L385-F466 HydrophobicContact CD1-CB 3.56Å; I398-F466 HydrophobicContact CD1-CD1 4.34Å; I398-F466 HydrophobicContact CG1-CD1 4.43Å; I398-F466 HydrophobicContact CG2-CD1 4.2Å; I398-F466 HydrophobicContact CG2-CE1 4.06Å; Y401-F466 HydrophobicContact CE1-CD2 4.08Å; Y401-F466 HydrophobicContact CE1-CE2 4.1Å; L402-F466 HydrophobicContact CD1-CE1 3.82Å; L402-F466 HydrophobicContact CD1-CZ 3.65Å; F462-F466 HydrophobicContact CD1-CE2 4.09Å; F462-F466 AromaticContact CE1-CE2 3.55Å; F462-F466 HydrophobicContact CE1-CE2 3.55Å; F462-F466 HydrophobicContact CE1-CZ 4.18Å; F462-F466 HydrophobicContact CE2-CE2 4.14Å; F462-F466 AromaticContact CZ-CE2 3.57Å; F462-F466 HydrophobicContact CZ-CE2 3.57Å; F462-F466 AromaticContact CZ-CZ 3.95Å; F462-F466 HydrophobicContact CZ-CZ 3.95Å; F462-F466 WeakPolarHBondContact O-CD2 3.31Å; V463-F466 WeakPolarHBondContact O-CB 3.49Å; V463-F466 PolarHBondContact O-N 2.96Å; S464-F466 VanDerWaalsContact C-N 3.25Å; S464-F466 PolarHBondContact O-N 2.83Å; F466-V468 PolarHBondContact O-N 2.84Å; F466-S470 WeakPolarHBondContact O-CB 3.32Å; F466-S470 PolarHBondContact O-N 2.93Å; F466-S470 PolarHBondContact O-OG 3.22Å
467	V	93.9	Very high	93.8	Very high	5 Å²	5	19 Å²	19	3%	0.03	10%	0.099	C	C	.	.	H	α-helix	trans	-59.2	-48.2	176.6	-179.4	0	0	0	0	110.5	L381 L384 L385 V463 S464 S470 V471	L381-V467 HydrophobicContact CD2-CB 4.43Å; L381-V467 HydrophobicContact CD2-CG1 4.37Å; L381-V467 HydrophobicContact CD2-CG2 4.07Å; L384-V467 HydrophobicContact CB-CG1 3.61Å; L384-V467 HydrophobicContact CD1-CG1 4.41Å; L385-V467 HydrophobicContact CB-CG2 3.8Å; L385-V467 HydrophobicContact CD1-CG2 4.05Å; L385-V467 HydrophobicContact CG-CG2 4.48Å; V463-V467 PolarHBondContact O-N 2.72Å; S464-V467 CarbonylContact O-C 3.54Å; S464-V467 WeakPolarHBondContact O-CA 3.48Å; S464-V467 WeakPolarHBondContact O-CB 3.46Å; S464-V467 PolarHBondContact O-N 2.87Å; V467-S470 PolarHBondContact O-OG 2.82Å; V467-S470 VanDerWaalsContact O-OG 3.12Å; V467-V471 WeakPolarHBondContact O-CG2 3.48Å
468	V	91.9	Very high	93	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-63.3	-59.8	-179.3	178.4	0	0	0	0	111.3	I166 P170 S464 F466 S470 V471 L472 Y498	I166-V468 WeakPolarHBondContact O-CG2 3.46Å; P170-V468 HydrophobicContact CB-CB 4.12Å; P170-V468 HydrophobicContact CB-CG1 4.18Å; P170-V468 HydrophobicContact CB-CG2 3.93Å; P170-V468 HydrophobicContact CG-CB 4.36Å; P170-V468 HydrophobicContact CG-CG2 3.64Å; S464-V468 WeakPolarHBondContact O-CG2 3.21Å; S464-V468 PolarHBondContact O-N 3.15Å; F466-V468 PolarHBondContact O-N 2.84Å; V468-S470 PolarHBondContact O-N 3.04Å; V468-V471 PolarHBondContact O-N 3.34Å; V468-L472 HydrophobicContact CG1-CD1 3.7Å; V468-L472 HydrophobicContact CG1-CG 4.36Å; V468-L472 WeakPolarHBondContact O-CG 3.48Å; V468-L472 PolarHBondContact O-N 3.13Å; V468-Y498 VanDerWaalsContact CA-OH 3.29Å; V468-Y498 WeakPolarHBondContact CA-OH 3.35Å; V468-Y498 WeakPolarHBondContact CB-OH 3.28Å; V468-Y498 HydrophobicContact CG1-CE2 4.22Å; V468-Y498 WeakPolarHBondContact CG1-OH 3.34Å; V468-Y498 WeakPolarHBondContact CG2-OH 3.39Å
469	F	92.8	Very high	92.1	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.009	12%	0.115	C	C	.	.	H	α-helix	trans	-77.2	-22.2	-168.9	-83	-103.6	0	0	0	112.8	P170 Y174 G397 Y401 G465 G473 M483	P170-F469 HydrophobicContact CB-CD2 4Å; P170-F469 HydrophobicContact CB-CE2 3.62Å; P170-F469 WeakPolarHBondContact O-CE2 3.32Å; Y174-F469 HydrophobicContact CD1-CE1 4.44Å; Y174-F469 HydrophobicContact CD1-CZ 4.27Å; Y174-F469 HydrophobicContact CD2-CE1 4.27Å; Y174-F469 AromaticContact CG-CE1 3.91Å; Y174-F469 HydrophobicContact CG-CE1 3.91Å; Y174-F469 AromaticContact CG-CZ 3.87Å; Y174-F469 HydrophobicContact CG-CZ 3.87Å; G397-F469 WeakPolarHBondContact CA-O 3.35Å; G397-F469 VanDerWaalsContact O-CD1 3.28Å; G397-F469 WeakPolarHBondContact O-CD1 3.4Å; Y401-F469 HydrophobicContact CD2-CD2 4.28Å; Y401-F469 HydrophobicContact CD2-CE2 4.37Å; Y401-F469 HydrophobicContact CG-CD2 4.21Å; Y401-F469 HydrophobicContact CG-CG 4.3Å; G465-F469 WeakPolarHBondContact O-CB 3.41Å; G465-F469 PolarHBondContact O-N 3.05Å; F469-G473 WeakPolarHBondContact O-CA 3.49Å; F469-G473 PolarHBondContact O-N 3.37Å; F469-M483 HydrophobicContact CD1-CE 3.42Å; F469-M483 VanDerWaalsContact CD1-CE 3.42Å; F469-M483 HydrophobicContact CD1-SD 4Å; F469-M483 HydrophobicContact CE1-CE 3.23Å; F469-M483 HydrophobicContact CE1-CG 4.15Å; F469-M483 HydrophobicContact CE1-SD 4.03Å; F469-M483 HydrophobicContact CG-CE 4.27Å; F469-M483 HydrophobicContact CZ-CE 3.89Å
470	S	94.7	Very high	91	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.6	-41.9	170.2	61.7	0	0	0	0	111.7	G388 S394 F466 V467 V468 Y474	G388-S470 WeakPolarHBondContact CA-OG 3.34Å; S394-S470 WeakPolarHBondContact CA-O 3.14Å; S394-S470 WeakPolarHBondContact CB-O 3.38Å; F466-S470 WeakPolarHBondContact O-CB 3.32Å; F466-S470 PolarHBondContact O-N 2.93Å; F466-S470 PolarHBondContact O-OG 3.22Å; V467-S470 PolarHBondContact O-OG 2.82Å; V467-S470 VanDerWaalsContact O-OG 3.12Å; V468-S470 PolarHBondContact O-N 3.04Å; S470-Y474 PolarHBondContact O-N 3.45Å; S470-Y474 VanDerWaalsContact O-N 3.12Å
471	V	92.2	Very high	90	Very high	13 Å²	13	25.5 Å²	25.5	8%	0.079	13%	0.13	C	C	.	.	H	α-helix	trans	-72	-44	177.4	173.9	0	0	0	0	111.5	V467 V468 G473 Y474 M475 A501	V467-V471 WeakPolarHBondContact O-CG2 3.48Å; V468-V471 PolarHBondContact O-N 3.34Å; V471-G473 VanDerWaalsContact C-N 3.34Å; V471-G473 PolarHBondContact O-N 3.36Å; V471-Y474 WeakPolarHBondContact O-CB 3.32Å; V471-Y474 PolarHBondContact O-N 3.41Å; V471-M475 PolarHBondContact O-N 3.46Å; V471-A501 HydrophobicContact CG1-CB 3.54Å
472	L	90.1	Very high	89.4	Confident	2 Å²	2	28.5 Å²	28.5	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-65.9	-37	175.4	-66	178.3	0	0	0	111.9	V468 Y474 M475 C476 M483 L493 A497	V468-L472 HydrophobicContact CG1-CD1 3.7Å; V468-L472 HydrophobicContact CG1-CG 4.36Å; V468-L472 WeakPolarHBondContact O-CG 3.48Å; V468-L472 PolarHBondContact O-N 3.13Å; L472-Y474 PolarHBondContact O-N 3.16Å; L472-M475 HydrophobicContact CD2-CE 3.7Å; L472-M475 WeakPolarHBondContact O-CB 3.49Å; L472-M475 PolarHBondContact O-N 2.96Å; L472-C476 PolarHBondContact O-N 3.45Å; L472-C476 PolarHBondContact O-SG 3.17Å; L472-C476 VanDerWaalsContact O-SG 3.34Å; L472-M483 HydrophobicContact CB-CE 3.6Å; L472-M483 HydrophobicContact CB-SD 4.27Å; L472-M483 HydrophobicContact CD1-CE 3.44Å; L472-M483 VanDerWaalsContact CD1-CE 3.44Å; L472-M483 HydrophobicContact CG-CE 4.15Å; L472-L493 HydrophobicContact CD1-CD1 4.3Å; L472-A497 HydrophobicContact CD2-CB 4.4Å
473	G	92.5	Very high	88.7	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.3	-42	174.3	0	0	0	0	0	112.8	G393 F469 V471 C476 F477	G393-G473 CarbonylContact O-C 3.58Å; F469-G473 WeakPolarHBondContact O-CA 3.49Å; F469-G473 PolarHBondContact O-N 3.37Å; V471-G473 VanDerWaalsContact C-N 3.34Å; V471-G473 PolarHBondContact O-N 3.36Å; G473-C476 PolarHBondContact O-N 3.42Å; G473-F477 WeakPolarHBondContact O-CB 3.33Å; G473-F477 PolarHBondContact O-N 3.03Å
474	Y	91.2	Very high	87.8	Confident	20 Å²	20	29 Å²	29	8%	0.078	15%	0.148	C	C	.	.	H	α-helix	trans	-60.2	-45.3	171.1	172.1	-109.1	0	0	0	112	L391 E392 S470 V471 L472 C476 F477 R478 T504 L505	L391-Y474 HydrophobicContact CB-CD2 3.65Å; L391-Y474 HydrophobicContact CB-CE2 4.29Å; L391-Y474 HydrophobicContact CB-CG 3.82Å; L391-Y474 HydrophobicContact CD1-CD1 3.88Å; L391-Y474 HydrophobicContact CD1-CD2 4.37Å; L391-Y474 HydrophobicContact CD1-CE1 4.46Å; L391-Y474 HydrophobicContact CD1-CG 3.8Å; L391-Y474 HydrophobicContact CD2-CD1 4.37Å; L391-Y474 HydrophobicContact CD2-CD2 4.1Å; L391-Y474 HydrophobicContact CD2-CE1 4.24Å; L391-Y474 HydrophobicContact CD2-CE2 3.97Å; L391-Y474 HydrophobicContact CD2-CG 4.27Å; L391-Y474 HydrophobicContact CG-CD2 4.24Å; L391-Y474 HydrophobicContact CG-CG 4.16Å; E392-Y474 VanDerWaalsContact O-CD2 3.27Å; E392-Y474 WeakPolarHBondContact O-CD2 3.47Å; S470-Y474 PolarHBondContact O-N 3.45Å; S470-Y474 VanDerWaalsContact O-N 3.12Å; V471-Y474 WeakPolarHBondContact O-CB 3.32Å; V471-Y474 PolarHBondContact O-N 3.41Å; L472-Y474 PolarHBondContact O-N 3.16Å; Y474-C476 PolarHBondContact O-N 2.97Å; Y474-F477 PolarHBondContact O-N 3.41Å; Y474-R478 HydrophobicContact CD1-CG 4.4Å; Y474-R478 HydrophobicContact CD2-CG 3.89Å; Y474-R478 HydrophobicContact CE1-CG 4.07Å; Y474-R478 HydrophobicContact CE2-CG 3.53Å; Y474-R478 HydrophobicContact CG-CG 4.35Å; Y474-R478 WeakPolarHBondContact O-CB 3.48Å; Y474-R478 WeakPolarHBondContact O-CG 3.38Å; Y474-R478 PolarHBondContact O-N 3.4Å; Y474-R478 PolarHBondContact OH-NH1 3.02Å; Y474-T504 WeakPolarHBondContact CE1-OG1 3.28Å; Y474-L505 HydrophobicContact CD1-CD2 4.12Å; Y474-L505 HydrophobicContact CE1-CD2 3.68Å
475	M	87.4	Confident	86.7	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-60.6	-45.6	177.2	-175.1	176.8	67.2	0	0	111.4	V471 L472 F477 R478 M479 V486 E500 A501	V471-M475 PolarHBondContact O-N 3.46Å; L472-M475 HydrophobicContact CD2-CE 3.7Å; L472-M475 WeakPolarHBondContact O-CB 3.49Å; L472-M475 PolarHBondContact O-N 2.96Å; M475-F477 PolarHBondContact O-N 3.41Å; M475-R478 PolarHBondContact O-N 3.43Å; M475-M479 HydrophobicContact CG-CG 4.12Å; M475-M479 HydrophobicContact CG-SD 3.46Å; M475-M479 WeakPolarHBondContact CG-SD 3.42Å; M475-M479 WeakPolarHBondContact O-CB 3.34Å; M475-M479 VanDerWaalsContact O-CG 3.27Å; M475-M479 WeakPolarHBondContact O-CG 3.39Å; M475-M479 PolarHBondContact O-N 2.99Å; M475-M479 HydrophobicContact SD-SD 4.09Å; M475-V486 HydrophobicContact CE-CB 3.53Å; M475-V486 HydrophobicContact CE-CG1 3.55Å; M475-V486 HydrophobicContact CE-CG2 4.14Å; M475-E500 HydrophobicContact SD-CB 4.19Å; M475-E500 HydrophobicContact SD-CG 3.99Å; M475-A501 HydrophobicContact CB-CB 4.1Å; M475-A501 HydrophobicContact CG-CB 4.39Å; M475-A501 HydrophobicContact SD-CB 3.77Å
476	C	86.5	Confident	85.8	Confident	11 Å²	11	33.9 Å²	33.9	7%	0.074	17%	0.174	C	C	.	.	H	α-helix	trans	-58.5	-47.6	174.7	-70.1	0	0	0	0	112	L472 G473 Y474 R478 M479 G480 K481 V486	L472-C476 PolarHBondContact O-N 3.45Å; L472-C476 PolarHBondContact O-SG 3.17Å; L472-C476 VanDerWaalsContact O-SG 3.34Å; G473-C476 PolarHBondContact O-N 3.42Å; Y474-C476 PolarHBondContact O-N 2.97Å; C476-R478 PolarHBondContact O-N 3.41Å; C476-M479 PolarHBondContact O-N 3.38Å; C476-G480 WeakPolarHBondContact O-CA 3.35Å; C476-G480 PolarHBondContact O-N 3.09Å; C476-K481 VanDerWaalsContact CB-O 3.27Å; C476-K481 WeakPolarHBondContact CB-O 3.42Å; C476-K481 PolarHBondContact O-N 3.26Å; C476-V486 VanDerWaalsContact SG-CG2 3.55Å
477	F	86.9	Confident	84.4	Confident	101 Å²	101	32 Å²	32	44%	0.443	17%	0.167	S	C	.	.	H	α-helix	trans	-60.7	-45.6	178.3	176.2	-101.1	0	0	0	112.1	E392 G473 Y474 M475	E392-F477 HydrophobicContact CB-CD1 4.42Å; E392-F477 HydrophobicContact CB-CE1 4.11Å; E392-F477 VanDerWaalsContact CD-CE1 3.48Å; E392-F477 HydrophobicContact CG-CD1 4.25Å; E392-F477 HydrophobicContact CG-CE1 3.57Å; E392-F477 HydrophobicContact CG-CZ 3.89Å; E392-F477 WeakPolarHBondContact OE1-CZ 3.4Å; G473-F477 WeakPolarHBondContact O-CB 3.33Å; G473-F477 PolarHBondContact O-N 3.03Å; Y474-F477 PolarHBondContact O-N 3.41Å; M475-F477 PolarHBondContact O-N 3.41Å
478	R	81.6	Confident	83.2	Confident	102 Å²	102	36.4 Å²	36.4	39%	0.385	19%	0.191	S	C	.	.	H	α-helix	trans	-69.4	-40.6	179.3	-72.6	-64.6	-58.4	-87.3	2.5	112.1	L280 Y474 M475 C476	L280-R478 WeakPolarHBondContact CD2-O 3.5Å; Y474-R478 HydrophobicContact CD1-CG 4.4Å; Y474-R478 HydrophobicContact CD2-CG 3.89Å; Y474-R478 HydrophobicContact CE1-CG 4.07Å; Y474-R478 HydrophobicContact CE2-CG 3.53Å; Y474-R478 HydrophobicContact CG-CG 4.35Å; Y474-R478 WeakPolarHBondContact O-CB 3.48Å; Y474-R478 WeakPolarHBondContact O-CG 3.38Å; Y474-R478 PolarHBondContact O-N 3.4Å; Y474-R478 PolarHBondContact OH-NH1 3.02Å; M475-R478 PolarHBondContact O-N 3.43Å; C476-R478 PolarHBondContact O-N 3.41Å
479	M	78.9	Confident	81.9	Confident	10 Å²	10	40.3 Å²	40.3	5%	0.049	21%	0.209	C	C	.	.	H	α-helix	trans	-91	-6.1	-173.1	-60.9	-174.5	78.1	0	0	115.2	V276 L280 M475 C476 K481 E500	V276-M479 HydrophobicContact CG1-CE 3.99Å; V276-M479 HydrophobicContact CG1-SD 4.18Å; L280-M479 HydrophobicContact CD2-CB 4.34Å; L280-M479 HydrophobicContact CD2-CG 4.3Å; M475-M479 HydrophobicContact CG-CG 4.12Å; M475-M479 HydrophobicContact CG-SD 3.46Å; M475-M479 WeakPolarHBondContact CG-SD 3.42Å; M475-M479 WeakPolarHBondContact O-CB 3.34Å; M475-M479 VanDerWaalsContact O-CG 3.27Å; M475-M479 WeakPolarHBondContact O-CG 3.39Å; M475-M479 PolarHBondContact O-N 2.99Å; M475-M479 HydrophobicContact SD-SD 4.09Å; C476-M479 PolarHBondContact O-N 3.38Å; M479-K481 HydrophobicContact CB-CB 4.47Å; M479-K481 HydrophobicContact CB-CD 4.29Å; M479-K481 HydrophobicContact CB-CG 3.99Å; M479-K481 HydrophobicContact CE-CD 4.46Å; M479-K481 PolarHBondContact O-N 3.43Å; M479-K481 HydrophobicContact SD-CD 4.37Å; M479-E500 WeakPolarHBondContact CE-OE1 3.15Å
480	G	75.1	Confident	80.8	Confident	49 Å²	49	41.6 Å²	41.6	51%	0.505	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	21.4	-171.8	0	0	0	0	0	113.3	C476	C476-G480 WeakPolarHBondContact O-CA 3.35Å; C476-G480 PolarHBondContact O-N 3.09Å
481	K	76.5	Confident	79.9	Confident	35 Å²	35	42.3 Å²	42.3	15%	0.152	23%	0.228	C	C	.	.			trans	-88.4	155.8	178.7	-72.6	-175.7	178.6	174.4	0	111.1	C476 M479 D485 V486 E500	C476-K481 VanDerWaalsContact CB-O 3.27Å; C476-K481 WeakPolarHBondContact CB-O 3.42Å; C476-K481 PolarHBondContact O-N 3.26Å; M479-K481 HydrophobicContact CB-CB 4.47Å; M479-K481 HydrophobicContact CB-CD 4.29Å; M479-K481 HydrophobicContact CB-CG 3.99Å; M479-K481 HydrophobicContact CE-CD 4.46Å; M479-K481 PolarHBondContact O-N 3.43Å; M479-K481 HydrophobicContact SD-CD 4.37Å; K481-D485 HydrophobicContact CB-CB 4.38Å; K481-D485 HydrophobicContact CD-CB 4.5Å; K481-V486 HydrophobicContact CB-CG1 3.94Å; K481-V486 HydrophobicContact CD-CG1 3.49Å; K481-V486 VanDerWaalsContact CD-CG1 3.49Å; K481-V486 HydrophobicContact CG-CG1 4.38Å; K481-E500 IonicContact NZ-OE1 2.69Å; K481-E500 PolarHBondContact NZ-OE1 2.8Å
482	T	84.2	Confident	79.5	Confident	63 Å²	63	42.1 Å²	42.1	39%	0.387	23%	0.229	S	C	.	.			trans	-86.6	163.7	167.8	71.8	0	0	0	0	110.6	E484 D485	T482-E484 PolarHBondContact O-N 2.74Å; T482-D485 WeakPolarHBondContact CB-OD2 3.38Å; T482-D485 PolarHBondContact N-OD2 2.8Å; T482-D485 PolarHBondContact O-N 3.05Å; T482-D485 PolarHBondContact OG1-N 3.12Å; T482-D485 PolarHBondContact OG1-OD2 3Å
483	M	83.3	Confident	79.2	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.23	C	C	.	.	S	Bend	trans	-63.4	-29.5	176.2	-161.5	70.3	-153.7	0	0	112	Y174 Y400 F469 L472 D485 V486 A487	Y174-M483 HydrophobicContact CE1-CG 4.34Å; Y174-M483 HydrophobicContact CE2-CG 4.24Å; Y400-M483 HydrophobicContact CD1-CB 3.92Å; Y400-M483 HydrophobicContact CD1-CG 4.36Å; Y400-M483 HydrophobicContact CD2-CB 3.93Å; Y400-M483 HydrophobicContact CD2-CG 4.33Å; Y400-M483 HydrophobicContact CE1-CB 4.06Å; Y400-M483 HydrophobicContact CE2-CB 4.11Å; Y400-M483 HydrophobicContact CG-CB 3.84Å; Y400-M483 HydrophobicContact CG-CG 4.02Å; F469-M483 HydrophobicContact CD1-CE 3.42Å; F469-M483 VanDerWaalsContact CD1-CE 3.42Å; F469-M483 HydrophobicContact CD1-SD 4Å; F469-M483 HydrophobicContact CE1-CE 3.23Å; F469-M483 HydrophobicContact CE1-CG 4.15Å; F469-M483 HydrophobicContact CE1-SD 4.03Å; F469-M483 HydrophobicContact CG-CE 4.27Å; F469-M483 HydrophobicContact CZ-CE 3.89Å; L472-M483 HydrophobicContact CB-CE 3.6Å; L472-M483 HydrophobicContact CB-SD 4.27Å; L472-M483 HydrophobicContact CD1-CE 3.44Å; L472-M483 VanDerWaalsContact CD1-CE 3.44Å; L472-M483 HydrophobicContact CG-CE 4.15Å; M483-D485 VanDerWaalsContact C-N 3.31Å; M483-D485 PolarHBondContact O-N 3.09Å; M483-V486 HydrophobicContact CE-CG2 4.19Å; M483-V486 WeakPolarHBondContact O-CG2 3.37Å; M483-V486 PolarHBondContact O-N 3.06Å; M483-V486 HydrophobicContact SD-CG2 4.14Å; M483-A487 HydrophobicContact CE-CB 3.92Å; M483-A487 HydrophobicContact CG-CB 4.47Å; M483-A487 VanDerWaalsContact O-CB 3.27Å; M483-A487 WeakPolarHBondContact O-CB 3.2Å; M483-A487 PolarHBondContact O-N 3.4Å
484	E	78.1	Confident	79.1	Confident	143 Å²	143	42.4 Å²	42.4	67%	0.668	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-33.2	179	-64.8	168.6	-167.2	0	0	111.8	Y174 T482 V486	Y174-E484 WeakPolarHBondContact OH-CG 3.36Å; T482-E484 PolarHBondContact O-N 2.74Å; E484-V486 VanDerWaalsContact C-N 3.28Å; E484-V486 PolarHBondContact O-N 3.34Å
485	D	72.6	Confident	79.2	Confident	98 Å²	98	41.4 Å²	41.4	52%	0.524	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-18.6	179.9	-58.7	-50	0	0	0	113.5	K481 T482 M483	K481-D485 HydrophobicContact CB-CB 4.38Å; K481-D485 HydrophobicContact CD-CB 4.5Å; T482-D485 WeakPolarHBondContact CB-OD2 3.38Å; T482-D485 PolarHBondContact N-OD2 2.8Å; T482-D485 PolarHBondContact O-N 3.05Å; T482-D485 PolarHBondContact OG1-N 3.12Å; T482-D485 PolarHBondContact OG1-OD2 3Å; M483-D485 VanDerWaalsContact C-N 3.31Å; M483-D485 PolarHBondContact O-N 3.09Å
486	V	74.7	Confident	79.5	Confident	5 Å²	5	42 Å²	42	3%	0.03	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-28.3	-167.2	-57.7	0	0	0	0	113.6	M475 C476 K481 M483 E484 N488	M475-V486 HydrophobicContact CE-CB 3.53Å; M475-V486 HydrophobicContact CE-CG1 3.55Å; M475-V486 HydrophobicContact CE-CG2 4.14Å; C476-V486 VanDerWaalsContact SG-CG2 3.55Å; K481-V486 HydrophobicContact CB-CG1 3.94Å; K481-V486 HydrophobicContact CD-CG1 3.49Å; K481-V486 VanDerWaalsContact CD-CG1 3.49Å; K481-V486 HydrophobicContact CG-CG1 4.38Å; M483-V486 HydrophobicContact CE-CG2 4.19Å; M483-V486 WeakPolarHBondContact O-CG2 3.37Å; M483-V486 PolarHBondContact O-N 3.06Å; M483-V486 HydrophobicContact SD-CG2 4.14Å; E484-V486 VanDerWaalsContact C-N 3.28Å; E484-V486 PolarHBondContact O-N 3.34Å; V486-N488 PolarHBondContact O-N 2.85Å
487	A	68.3	Low	79.6	Confident	9 Å²	9	42 Å²	42	7%	0.074	23%	0.23	C	C	.	.			trans	-87.9	84.9	-179.4	0	0	0	0	0	109.5	F171 Y174 M483	F171-A487 HydrophobicContact CD2-CB 4.13Å; F171-A487 HydrophobicContact CE2-CB 4.26Å; F171-A487 WeakPolarHBondContact CE2-O 3.38Å; Y174-A487 HydrophobicContact CD1-CB 4.2Å; Y174-A487 HydrophobicContact CE1-CB 3.98Å; M483-A487 HydrophobicContact CE-CB 3.92Å; M483-A487 HydrophobicContact CG-CB 4.47Å; M483-A487 VanDerWaalsContact O-CB 3.27Å; M483-A487 WeakPolarHBondContact O-CB 3.2Å; M483-A487 PolarHBondContact O-N 3.4Å
488	N	67.5	Low	79.7	Confident	98 Å²	98	37.6 Å²	37.6	52%	0.524	21%	0.21	S	C	.	.			trans	-96.5	151.3	169.4	-71.7	-42.9	0	0	0	110.7	V486 L493	V486-N488 PolarHBondContact O-N 2.85Å; N488-L493 WeakPolarHBondContact O-CB 3.32Å
489	E	64.9	Low	80.2	Confident	83 Å²	83	32.7 Å²	32.7	39%	0.388	19%	0.192	S	C	.	.			trans	-77.7	157.1	175.4	-159.7	168.2	178.2	0	0	112.1	F171 R175	F171-E489 HydrophobicContact CD1-CB 3.87Å; F171-E489 HydrophobicContact CD1-CG 3.67Å; F171-E489 HydrophobicContact CE1-CB 3.39Å; F171-E489 HydrophobicContact CE1-CG 3.55Å; F171-E489 HydrophobicContact CZ-CB 3.82Å; F171-E489 HydrophobicContact CZ-CG 4.47Å; R175-E489 IonicContact CZ-OE2 2.84Å; R175-E489 IonicContact NH1-OE2 2.59Å; R175-E489 PolarHBondContact NH1-OE2 2.84Å
490	G	69.4	Low	80.8	Confident	29 Å²	29	32.7 Å²	32.7	30%	0.299	19%	0.192	S	C	.	.	S	Bend	trans	86.8	-163.2	166.9	0	0	0	0	0	114.7	G492 L493	G490-G492 PolarHBondContact O-N 2.8Å; G490-G492 VanDerWaalsContact O-N 3.09Å; G490-L493 WeakPolarHBondContact O-CB 3.32Å; G490-L493 PolarHBondContact O-N 3.22Å
491	P	76.6	Confident	81.5	Confident	15 Å²	15	30.3 Å²	30.3	10%	0.097	17%	0.167	C	C	.	.	H	α-helix	trans	-58	-26.3	-177.3	-25.2	34	0	0	0	113.6	W246 L493 V494 F495 Y573 L576	W246-P491 HydrophobicContact CZ3-CB 4.1Å; W246-P491 HydrophobicContact CZ3-CG 4.42Å; P491-L493 PolarHBondContact O-N 2.79Å; P491-V494 PolarHBondContact O-N 3.34Å; P491-V494 VanDerWaalsContact O-N 3.16Å; P491-F495 HydrophobicContact CB-CD2 4.05Å; P491-F495 HydrophobicContact CB-CE2 4.47Å; P491-F495 VanDerWaalsContact O-CD2 3.32Å; P491-F495 WeakPolarHBondContact O-CD2 3.47Å; P491-F495 PolarHBondContact O-N 2.91Å; P491-Y573 HydrophobicContact CB-CE2 4.4Å; P491-Y573 HydrophobicContact CG-CE2 4.32Å; P491-L576 HydrophobicContact CG-CD2 4.44Å
492	G	83.3	Confident	82.2	Confident	10 Å²	10	29 Å²	29	10%	0.103	16%	0.162	C	C	.	.	H	α-helix	trans	-59.4	-34	176.1	0	0	0	0	0	112.8	G490 V494 I496 A497	G490-G492 PolarHBondContact O-N 2.8Å; G490-G492 VanDerWaalsContact O-N 3.09Å; G492-V494 VanDerWaalsContact C-N 3.3Å; G492-V494 PolarHBondContact O-N 3.18Å; G492-I496 WeakPolarHBondContact O-CA 3.11Å; G492-I496 WeakPolarHBondContact O-CB 3.15Å; G492-I496 PolarHBondContact O-N 3.09Å; G492-A497 PolarHBondContact O-N 2.98Å; G492-A497 VanDerWaalsContact O-N 3.13Å
493	L	84.2	Confident	82.5	Confident	6 Å²	6	26.1 Å²	26.1	3%	0.031	14%	0.144	C	C	.	.	I	π-helix	trans	-55.8	-50.2	175.3	-171.6	58.2	0	0	0	110.3	W167 F171 L472 N488 G490 P491 A497 Y498	W167-L493 HydrophobicContact CB-CD2 4.24Å; W167-L493 WeakPolarHBondContact O-CD2 3.46Å; F171-L493 HydrophobicContact CB-CD2 4.3Å; L472-L493 HydrophobicContact CD1-CD1 4.3Å; N488-L493 WeakPolarHBondContact O-CB 3.32Å; G490-L493 WeakPolarHBondContact O-CB 3.32Å; G490-L493 PolarHBondContact O-N 3.22Å; P491-L493 PolarHBondContact O-N 2.79Å; L493-A497 HydrophobicContact CD1-CB 4.15Å; L493-A497 WeakPolarHBondContact O-CB 3.32Å; L493-A497 PolarHBondContact O-N 2.87Å; L493-A497 VanDerWaalsContact O-N 3.12Å; L493-Y498 HydrophobicContact CD1-CE2 4.45Å; L493-Y498 HydrophobicContact CD2-CE2 4.47Å; L493-Y498 HydrophobicContact CG-CD2 4.17Å; L493-Y498 HydrophobicContact CG-CE2 3.97Å; L493-Y498 VanDerWaalsContact O-CD2 3.26Å; L493-Y498 WeakPolarHBondContact O-CD2 3.5Å; L493-Y498 PolarHBondContact O-N 3.38Å
494	V	90.3	Very high	82.7	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.006	15%	0.148	C	C	.	.	I	π-helix	trans	-91.2	-26.5	-168.1	170.9	0	0	0	0	114.9	W167 P491 G492 Y498 P499 F515 L519	W167-V494 HydrophobicContact CB-CG2 3.36Å; W167-V494 HydrophobicContact CD2-CB 4.27Å; W167-V494 HydrophobicContact CD2-CG2 3.58Å; W167-V494 HydrophobicContact CE3-CB 3.37Å; W167-V494 HydrophobicContact CE3-CG1 3.53Å; W167-V494 HydrophobicContact CE3-CG2 3.04Å; W167-V494 HydrophobicContact CG-CG2 3.82Å; W167-V494 HydrophobicContact CZ3-CB 3.58Å; W167-V494 HydrophobicContact CZ3-CG1 3.54Å; W167-V494 HydrophobicContact CZ3-CG2 3.82Å; P491-V494 PolarHBondContact O-N 3.34Å; P491-V494 VanDerWaalsContact O-N 3.16Å; G492-V494 VanDerWaalsContact C-N 3.3Å; G492-V494 PolarHBondContact O-N 3.18Å; V494-Y498 HydrophobicContact CB-CD2 4.5Å; V494-Y498 HydrophobicContact CG2-CD2 3.92Å; V494-Y498 HydrophobicContact CG2-CE2 4.04Å; V494-P499 WeakPolarHBondContact O-CD 3.48Å; V494-P499 WeakPolarHBondContact O-CG 3.34Å; V494-F515 HydrophobicContact CG1-CE1 3.88Å; V494-F515 HydrophobicContact CG1-CZ 3.82Å; V494-L519 HydrophobicContact CG1-CD1 3.22Å; V494-L519 HydrophobicContact CG1-CD2 3.8Å; V494-L519 HydrophobicContact CG1-CG 4.15Å
495	F	93.9	Very high	83.2	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.119	C	C	.	.	I	π-helix	trans	-99.7	-7.1	176.4	-62.5	-69.3	0	0	0	113.1	W167 I243 W246 A247 Y250 F321 P491 M516	W167-F495 HydrophobicContact CH2-CE2 4.33Å; W167-F495 HydrophobicContact CZ3-CE2 4.27Å; I243-F495 HydrophobicContact CG2-CE2 3.97Å; I243-F495 HydrophobicContact CG2-CZ 4.1Å; W246-F495 HydrophobicContact CB-CD1 4.39Å; W246-F495 HydrophobicContact CB-CE1 3.85Å; W246-F495 HydrophobicContact CB-CE2 4.39Å; W246-F495 HydrophobicContact CB-CZ 3.85Å; W246-F495 HydrophobicContact CE3-CD2 4.09Å; W246-F495 AromaticContact CE3-CE2 3.85Å; W246-F495 HydrophobicContact CE3-CE2 3.85Å; W246-F495 HydrophobicContact CE3-CZ 4.41Å; A247-F495 HydrophobicContact CB-CE1 4.11Å; A247-F495 HydrophobicContact CB-CZ 4.27Å; Y250-F495 AromaticContact CD2-CD1 3.79Å; Y250-F495 HydrophobicContact CD2-CD1 3.79Å; Y250-F495 HydrophobicContact CD2-CE1 4.29Å; Y250-F495 HydrophobicContact CE2-CB 4.16Å; Y250-F495 AromaticContact CE2-CD1 3.62Å; Y250-F495 HydrophobicContact CE2-CD1 3.62Å; Y250-F495 HydrophobicContact CE2-CE1 4.49Å; Y250-F495 HydrophobicContact CE2-CG 4.25Å; Y250-F495 HydrophobicContact CG-CD1 4.35Å; Y250-F495 PolarHBondContact OH-O 2.95Å; F321-F495 HydrophobicContact CD2-CB 3.5Å; F321-F495 HydrophobicContact CD2-CG 4.21Å; F321-F495 HydrophobicContact CE2-CB 3.59Å; F321-F495 HydrophobicContact CE2-CD2 4.11Å; F321-F495 AromaticContact CE2-CG 3.88Å; F321-F495 HydrophobicContact CE2-CG 3.88Å; F321-F495 HydrophobicContact CG-CB 4.15Å; F321-F495 HydrophobicContact CZ-CB 4.3Å; P491-F495 HydrophobicContact CB-CD2 4.05Å; P491-F495 HydrophobicContact CB-CE2 4.47Å; P491-F495 VanDerWaalsContact O-CD2 3.32Å; P491-F495 WeakPolarHBondContact O-CD2 3.47Å; P491-F495 PolarHBondContact O-N 2.91Å; F495-M516 HydrophobicContact CE1-SD 4.39Å
496	I	92.1	Very high	84	Confident	14 Å²	14	19.7 Å²	19.7	7%	0.072	13%	0.127	C	C	.	.	I	π-helix	trans	-124	-65.3	177.9	-52.7	172.7	0	0	0	111.6	T317 E318 F321 Y322 G492 Y498 P499 E500	T317-I496 HydrophobicContact CG2-CG2 4.46Å; T317-I496 VanDerWaalsContact CG2-O 3.28Å; T317-I496 WeakPolarHBondContact CG2-O 3.23Å; E318-I496 HydrophobicContact CB-CG2 4.21Å; E318-I496 HydrophobicContact CG-CD1 4.31Å; E318-I496 HydrophobicContact CG-CG2 3.38Å; F321-I496 HydrophobicContact CB-CD1 4.28Å; F321-I496 HydrophobicContact CB-CG1 3.84Å; F321-I496 HydrophobicContact CD1-CD1 3.95Å; F321-I496 HydrophobicContact CD1-CG1 4.14Å; F321-I496 HydrophobicContact CG-CD1 4.42Å; F321-I496 HydrophobicContact CG-CG1 4.14Å; Y322-I496 HydrophobicContact CD2-CD1 4.28Å; Y322-I496 HydrophobicContact CE2-CD1 3.53Å; G492-I496 WeakPolarHBondContact O-CA 3.11Å; G492-I496 WeakPolarHBondContact O-CB 3.15Å; G492-I496 PolarHBondContact O-N 3.09Å; I496-Y498 PolarHBondContact O-N 3.27Å; I496-P499 WeakPolarHBondContact O-CD 3.16Å; I496-E500 VanDerWaalsContact O-CB 3.25Å; I496-E500 WeakPolarHBondContact O-CB 3.4Å; I496-E500 PolarHBondContact O-N 3.18Å
497	A	88.9	Confident	84.8	Confident	10 Å²	10	22 Å²	22	8%	0.083	15%	0.152	C	C	.	.	I	π-helix	trans	-66.2	-39.8	-172.7	0	0	0	0	0	112.5	L472 G492 L493 E500 A501	L472-A497 HydrophobicContact CD2-CB 4.4Å; G492-A497 PolarHBondContact O-N 2.98Å; G492-A497 VanDerWaalsContact O-N 3.13Å; L493-A497 HydrophobicContact CD1-CB 4.15Å; L493-A497 WeakPolarHBondContact O-CB 3.32Å; L493-A497 PolarHBondContact O-N 2.87Å; L493-A497 VanDerWaalsContact O-N 3.12Å; A497-E500 WeakPolarHBondContact O-CB 3.24Å; A497-A501 PolarHBondContact O-N 3.24Å
498	Y	89.2	Confident	85.9	Confident	8 Å²	8	22.5 Å²	22.5	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-68.7	-48.6	176.7	-88.6	-83.1	0	0	0	114.2	V468 L493 V494 I496 E500 A501 I502 F515	V468-Y498 VanDerWaalsContact CA-OH 3.29Å; V468-Y498 WeakPolarHBondContact CA-OH 3.35Å; V468-Y498 WeakPolarHBondContact CB-OH 3.28Å; V468-Y498 HydrophobicContact CG1-CE2 4.22Å; V468-Y498 WeakPolarHBondContact CG1-OH 3.34Å; V468-Y498 WeakPolarHBondContact CG2-OH 3.39Å; L493-Y498 HydrophobicContact CD1-CE2 4.45Å; L493-Y498 HydrophobicContact CD2-CE2 4.47Å; L493-Y498 HydrophobicContact CG-CD2 4.17Å; L493-Y498 HydrophobicContact CG-CE2 3.97Å; L493-Y498 VanDerWaalsContact O-CD2 3.26Å; L493-Y498 WeakPolarHBondContact O-CD2 3.5Å; L493-Y498 PolarHBondContact O-N 3.38Å; V494-Y498 HydrophobicContact CB-CD2 4.5Å; V494-Y498 HydrophobicContact CG2-CD2 3.92Å; V494-Y498 HydrophobicContact CG2-CE2 4.04Å; I496-Y498 PolarHBondContact O-N 3.27Å; Y498-E500 PolarHBondContact O-N 3.33Å; Y498-A501 CarbonylContact O-C 3.55Å; Y498-A501 PolarHBondContact O-N 2.79Å; Y498-A501 VanDerWaalsContact O-N 3.11Å; Y498-I502 WeakPolarHBondContact O-CB 3.44Å; Y498-I502 WeakPolarHBondContact O-CG1 3.5Å; Y498-I502 PolarHBondContact O-N 3.42Å; Y498-F515 AromaticContact CD1-CE2 3.8Å; Y498-F515 HydrophobicContact CD1-CE2 3.8Å; Y498-F515 AromaticContact CD1-CZ 3.73Å; Y498-F515 HydrophobicContact CD1-CZ 3.73Å; Y498-F515 HydrophobicContact CD2-CZ 4.06Å; Y498-F515 AromaticContact CE1-CE2 3.97Å; Y498-F515 HydrophobicContact CE1-CE2 3.97Å; Y498-F515 HydrophobicContact CE1-CZ 4.22Å; Y498-F515 HydrophobicContact CG-CE1 4.23Å; Y498-F515 HydrophobicContact CG-CE2 4.14Å; Y498-F515 AromaticContact CG-CZ 3.58Å; Y498-F515 HydrophobicContact CG-CZ 3.58Å
499	P	92.6	Very high	87.2	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.8	-29.6	176.6	-23.9	36	0	0	0	111.8	Y250 W261 T317 V494 I496 A503 M516	Y250-P499 HydrophobicContact CD1-CG 4.29Å; Y250-P499 HydrophobicContact CE1-CB 4.16Å; Y250-P499 HydrophobicContact CE1-CG 3.84Å; W261-P499 HydrophobicContact CD2-CB 4.37Å; W261-P499 HydrophobicContact CG-CB 4.4Å; W261-P499 HydrophobicContact CZ2-CB 4.3Å; W261-P499 PolarHBondContact NE1-O 2.98Å; T317-P499 HydrophobicContact CG2-CB 3.73Å; T317-P499 HydrophobicContact CG2-CG 4.45Å; V494-P499 WeakPolarHBondContact O-CD 3.48Å; V494-P499 WeakPolarHBondContact O-CG 3.34Å; I496-P499 WeakPolarHBondContact O-CD 3.16Å; P499-A503 WeakPolarHBondContact O-CB 3.37Å; P499-A503 PolarHBondContact O-N 2.86Å; P499-M516 HydrophobicContact CG-CE 3.86Å
500	E	90.6	Very high	88.7	Confident	9 Å²	9	21.1 Å²	21.1	4%	0.042	15%	0.146	C	C	.	.	H	α-helix	trans	-63.3	-48.4	169	-170.9	169.8	147.9	0	0	111.4	V276 S315 T317 M475 M479 K481 I496 A497 Y498 I502 A503 T504	V276-E500 HydrophobicContact CG2-CG 3.85Å; S315-E500 WeakPolarHBondContact CB-OE2 3.3Å; S315-E500 PolarHBondContact OG-OE2 2.85Å; T317-E500 HydrophobicContact CG2-CB 4.45Å; M475-E500 HydrophobicContact SD-CB 4.19Å; M475-E500 HydrophobicContact SD-CG 3.99Å; M479-E500 WeakPolarHBondContact CE-OE1 3.15Å; K481-E500 IonicContact NZ-OE1 2.69Å; K481-E500 PolarHBondContact NZ-OE1 2.8Å; I496-E500 VanDerWaalsContact O-CB 3.25Å; I496-E500 WeakPolarHBondContact O-CB 3.4Å; I496-E500 PolarHBondContact O-N 3.18Å; A497-E500 WeakPolarHBondContact O-CB 3.24Å; Y498-E500 PolarHBondContact O-N 3.33Å; E500-I502 VanDerWaalsContact C-N 3.35Å; E500-I502 PolarHBondContact O-N 3.35Å; E500-A503 WeakPolarHBondContact O-CB 3.32Å; E500-A503 PolarHBondContact O-N 3.27Å; E500-T504 PolarHBondContact O-N 2.85Å
501	A	89.7	Confident	89.9	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.4	-39.9	176	0	0	0	0	0	112.2	V471 M475 A497 Y498 A503 T504	V471-A501 HydrophobicContact CG1-CB 3.54Å; M475-A501 HydrophobicContact CB-CB 4.1Å; M475-A501 HydrophobicContact CG-CB 4.39Å; M475-A501 HydrophobicContact SD-CB 3.77Å; A497-A501 PolarHBondContact O-N 3.24Å; Y498-A501 CarbonylContact O-C 3.55Å; Y498-A501 PolarHBondContact O-N 2.79Å; Y498-A501 VanDerWaalsContact O-N 3.11Å; A501-A503 VanDerWaalsContact C-N 3.34Å; A501-A503 PolarHBondContact O-N 3.49Å; A501-T504 PolarHBondContact O-N 2.72Å; A501-T504 PolarHBondContact O-OG1 2.98Å
502	I	91.3	Very high	90.8	Very high	7 Å²	7	20.7 Å²	20.7	4%	0.036	13%	0.134	C	C	.	.	H	α-helix	trans	-65.9	-36.4	177.3	-72.1	168.2	0	0	0	111.5	Y498 E500 T504 L505 S508 W511 A512 F515	Y498-I502 WeakPolarHBondContact O-CB 3.44Å; Y498-I502 WeakPolarHBondContact O-CG1 3.5Å; Y498-I502 PolarHBondContact O-N 3.42Å; E500-I502 VanDerWaalsContact C-N 3.35Å; E500-I502 PolarHBondContact O-N 3.35Å; I502-T504 PolarHBondContact O-N 3.48Å; I502-L505 WeakPolarHBondContact O-CB 3.43Å; I502-L505 PolarHBondContact O-N 2.69Å; I502-S508 WeakPolarHBondContact CG2-O 3.36Å; I502-S508 WeakPolarHBondContact O-CB 3.33Å; I502-W511 HydrophobicContact CG2-CB 3.85Å; I502-A512 HydrophobicContact CG2-CB 3.99Å; I502-F515 HydrophobicContact CD1-CB 3.87Å; I502-F515 HydrophobicContact CD1-CD1 3.83Å; I502-F515 HydrophobicContact CD1-CG 3.84Å
503	A	90.9	Very high	91.5	Very high	2 Å²	2	22.4 Å²	22.4	2%	0.017	14%	0.14	C	C	.	.	H	α-helix	trans	-58.3	-31.1	176.1	0	0	0	0	0	112.2	I259 D262 P499 E500 A501 L505	I259-A503 HydrophobicContact CD1-CB 3.78Å; D262-A503 HydrophobicContact CB-CB 4.42Å; P499-A503 WeakPolarHBondContact O-CB 3.37Å; P499-A503 PolarHBondContact O-N 2.86Å; E500-A503 WeakPolarHBondContact O-CB 3.32Å; E500-A503 PolarHBondContact O-N 3.27Å; A501-A503 VanDerWaalsContact C-N 3.34Å; A501-A503 PolarHBondContact O-N 3.49Å; A503-L505 VanDerWaalsContact C-N 3.25Å; A503-L505 PolarHBondContact O-N 3.33Å
504	T	87.6	Confident	92	Very high	14 Å²	14	23.2 Å²	23.2	9%	0.086	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-12.3	178.1	71.5	0	0	0	0	114.1	V276 Y474 E500 A501 I502	V276-T504 HydrophobicContact CG1-CG2 3.6Å; Y474-T504 WeakPolarHBondContact CE1-OG1 3.28Å; E500-T504 PolarHBondContact O-N 2.85Å; A501-T504 PolarHBondContact O-N 2.72Å; A501-T504 PolarHBondContact O-OG1 2.98Å; I502-T504 PolarHBondContact O-N 3.48Å
505	L	89.1	Confident	92.3	Very high	10 Å²	10	23.4 Å²	23.4	5%	0.052	15%	0.145	C	C	.	.	S	Bend	trans	-87.2	138.2	-177.8	-59.9	176.6	0	0	0	111.6	L391 Y474 I502 A503 G507 S508 W511	L391-L505 HydrophobicContact CD1-CD2 3.71Å; L391-L505 HydrophobicContact CD2-CD2 3.66Å; L391-L505 HydrophobicContact CG-CD2 4.34Å; Y474-L505 HydrophobicContact CD1-CD2 4.12Å; Y474-L505 HydrophobicContact CE1-CD2 3.68Å; I502-L505 WeakPolarHBondContact O-CB 3.43Å; I502-L505 PolarHBondContact O-N 2.69Å; A503-L505 VanDerWaalsContact C-N 3.25Å; A503-L505 PolarHBondContact O-N 3.33Å; L505-G507 PolarHBondContact O-N 2.81Å; L505-S508 WeakPolarHBondContact O-CB 3.09Å; L505-S508 PolarHBondContact O-N 3.39Å; L505-S508 VanDerWaalsContact O-N 3.13Å; L505-W511 HydrophobicContact CD1-CB 4.31Å; L505-W511 HydrophobicContact CD1-CD2 4.4Å; L505-W511 HydrophobicContact CD1-CG 3.95Å
506	A	88.6	Confident	92.4	Very high	84 Å²	84	23.4 Å²	23.4	69%	0.694	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	132.2	165.5	0	0	0	0	0	110.5	W511	A506-W511 PolarHBondContact O-NE1 3.28Å
507	G	91.4	Very high	92.7	Very high	53 Å²	53	25.4 Å²	25.4	55%	0.546	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	32.7	-173.5	0	0	0	0	0	113.6	L505 T509 F510	L505-G507 PolarHBondContact O-N 2.81Å; G507-T509 PolarHBondContact O-N 3.29Å; G507-T509 VanDerWaalsContact O-N 3.09Å; G507-F510 WeakPolarHBondContact O-CB 3.5Å; G507-F510 PolarHBondContact O-N 2.91Å
508	S	92.4	Very high	93	Very high	20 Å²	20	25 Å²	25	14%	0.14	15%	0.152	C	C	.	.	H	α-helix	trans	-47.2	-36.6	-176.6	57.2	0	0	0	0	114.8	I502 L505 F510 W511 A512	I502-S508 WeakPolarHBondContact CG2-O 3.36Å; I502-S508 WeakPolarHBondContact O-CB 3.33Å; L505-S508 WeakPolarHBondContact O-CB 3.09Å; L505-S508 PolarHBondContact O-N 3.39Å; L505-S508 VanDerWaalsContact O-N 3.13Å; S508-F510 PolarHBondContact O-N 3.39Å; S508-W511 PolarHBondContact O-N 3.08Å; S508-A512 WeakPolarHBondContact O-CB 3.44Å; S508-A512 PolarHBondContact O-N 3.28Å
509	T	95.2	Very high	93.3	Very high	38 Å²	38	24.7 Å²	24.7	23%	0.233	15%	0.151	C	C	.	.	H	α-helix	trans	-53	-48.6	173.4	-64.1	0	0	0	0	113.1	A254 G507 A512 I513	A254-T509 WeakPolarHBondContact O-CG2 3.35Å; G507-T509 PolarHBondContact O-N 3.29Å; G507-T509 VanDerWaalsContact O-N 3.09Å; T509-A512 PolarHBondContact O-N 3.37Å; T509-I513 HydrophobicContact CG2-CD1 3.89Å; T509-I513 WeakPolarHBondContact O-CG1 3.27Å; T509-I513 PolarHBondContact O-N 2.84Å
510	F	95.4	Very high	93.5	Very high	113 Å²	113	25.3 Å²	25.3	50%	0.496	15%	0.154	S	C	.	.	H	α-helix	trans	-62.4	-47.5	-179.7	168.9	-101.8	0	0	0	111.2	G507 S508 A512 I513 I514	G507-F510 WeakPolarHBondContact O-CB 3.5Å; G507-F510 PolarHBondContact O-N 2.91Å; S508-F510 PolarHBondContact O-N 3.39Å; F510-A512 VanDerWaalsContact C-N 3.34Å; F510-A512 PolarHBondContact O-N 3.01Å; F510-I513 PolarHBondContact O-N 3.5Å; F510-I514 HydrophobicContact CD1-CD1 4.47Å; F510-I514 HydrophobicContact CD2-CG2 4.42Å; F510-I514 HydrophobicContact CE1-CD1 3.85Å; F510-I514 HydrophobicContact CE2-CG2 3.96Å; F510-I514 HydrophobicContact CZ-CD1 4.05Å; F510-I514 HydrophobicContact CZ-CG2 4.12Å; F510-I514 PolarHBondContact O-N 3.28Å; F510-I514 VanDerWaalsContact O-N 3.15Å
511	W	94.8	Very high	93.9	Very high	35 Å²	35	25.2 Å²	25.2	13%	0.133	15%	0.154	C	C	.	.	H	α-helix	trans	-62.9	-40.2	180	-57.5	114.2	0	0	0	112	I383 L384 R387 I502 L505 A506 S508 I514 F515	I383-W511 HydrophobicContact CG2-CZ3 3.96Å; L384-W511 HydrophobicContact CD2-CE3 3.88Å; L384-W511 HydrophobicContact CD2-CZ3 4.32Å; R387-W511 HydrophobicContact CB-CH2 3.79Å; R387-W511 HydrophobicContact CB-CZ3 3.84Å; R387-W511 HydrophobicContact CG-CE3 4.28Å; R387-W511 HydrophobicContact CG-CH2 3.55Å; R387-W511 HydrophobicContact CG-CZ2 3.81Å; R387-W511 HydrophobicContact CG-CZ3 3.8Å; I502-W511 HydrophobicContact CG2-CB 3.85Å; L505-W511 HydrophobicContact CD1-CB 4.31Å; L505-W511 HydrophobicContact CD1-CD2 4.4Å; L505-W511 HydrophobicContact CD1-CG 3.95Å; A506-W511 PolarHBondContact O-NE1 3.28Å; S508-W511 PolarHBondContact O-N 3.08Å; W511-I514 HydrophobicContact CE3-CD1 3.91Å; W511-I514 HydrophobicContact CZ3-CD1 4.21Å; W511-I514 WeakPolarHBondContact O-CG1 3.3Å; W511-F515 WeakPolarHBondContact O-CB 3.46Å; W511-F515 PolarHBondContact O-N 3.44Å
512	A	96	Very high	94.2	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-63.7	-45.8	176.8	0	0	0	0	0	111.9	A254 I259 W261 I502 S508 T509 F510 F515 M516	A254-A512 HydrophobicContact CB-CB 3.95Å; I259-A512 HydrophobicContact CG2-CB 4.4Å; W261-A512 HydrophobicContact CH2-CB 4.26Å; W261-A512 HydrophobicContact CZ2-CB 3.83Å; I502-A512 HydrophobicContact CG2-CB 3.99Å; S508-A512 WeakPolarHBondContact O-CB 3.44Å; S508-A512 PolarHBondContact O-N 3.28Å; T509-A512 PolarHBondContact O-N 3.37Å; F510-A512 VanDerWaalsContact C-N 3.34Å; F510-A512 PolarHBondContact O-N 3.01Å; A512-F515 PolarHBondContact O-N 2.87Å; A512-M516 WeakPolarHBondContact O-CB 3.19Å; A512-M516 VanDerWaalsContact O-CG 3.23Å; A512-M516 WeakPolarHBondContact O-CG 3.23Å; A512-M516 PolarHBondContact O-N 2.95Å
513	I	96.9	Very high	94.5	Very high	46 Å²	46	25 Å²	25	24%	0.236	15%	0.153	C	C	.	.	H	α-helix	trans	-61.7	-50.2	-179.5	-69.1	167.9	0	0	0	110.8	M251 A254 M255 T509 F510 F515 M516 L517	M251-I513 HydrophobicContact CG-CG2 4.39Å; A254-I513 HydrophobicContact CB-CG1 3.76Å; M255-I513 HydrophobicContact CG-CD1 4.23Å; T509-I513 HydrophobicContact CG2-CD1 3.89Å; T509-I513 WeakPolarHBondContact O-CG1 3.27Å; T509-I513 PolarHBondContact O-N 2.84Å; F510-I513 PolarHBondContact O-N 3.5Å; I513-F515 VanDerWaalsContact C-N 3.34Å; I513-F515 PolarHBondContact O-N 3.02Å; I513-M516 PolarHBondContact O-N 3.09Å; I513-L517 VanDerWaalsContact O-CB 3.27Å; I513-L517 WeakPolarHBondContact O-CB 3.48Å; I513-L517 PolarHBondContact O-N 3.03Å
514	I	96.1	Very high	94.8	Very high	22 Å²	22	25.3 Å²	25.3	11%	0.113	15%	0.154	C	C	.	.	H	α-helix	trans	-67.5	-36.4	-179	67.9	174.7	0	0	0	111.6	I380 I383 L384 F510 W511 L517 M518	I380-I514 WeakPolarHBondContact CD1-O 3.31Å; I380-I514 HydrophobicContact CG2-CB 4.3Å; I380-I514 HydrophobicContact CG2-CD1 4.49Å; I380-I514 HydrophobicContact CG2-CG1 4.35Å; I383-I514 HydrophobicContact CG2-CD1 4.11Å; L384-I514 HydrophobicContact CD2-CD1 4.04Å; L384-I514 HydrophobicContact CD2-CG1 4.46Å; F510-I514 HydrophobicContact CD1-CD1 4.47Å; F510-I514 HydrophobicContact CD2-CG2 4.42Å; F510-I514 HydrophobicContact CE1-CD1 3.85Å; F510-I514 HydrophobicContact CE2-CG2 3.96Å; F510-I514 HydrophobicContact CZ-CD1 4.05Å; F510-I514 HydrophobicContact CZ-CG2 4.12Å; F510-I514 PolarHBondContact O-N 3.28Å; F510-I514 VanDerWaalsContact O-N 3.15Å; W511-I514 HydrophobicContact CE3-CD1 3.91Å; W511-I514 HydrophobicContact CZ3-CD1 4.21Å; W511-I514 WeakPolarHBondContact O-CG1 3.3Å; I514-L517 PolarHBondContact O-N 2.86Å; I514-M518 PolarHBondContact O-N 3.01Å
515	F	95.2	Very high	95.3	Very high	5 Å²	5	24.8 Å²	24.8	2%	0.022	15%	0.151	C	C	.	.	H	α-helix	trans	-65	-46.8	177.2	176.8	-103.9	0	0	0	111.5	L384 V494 Y498 I502 W511 A512 I513 L517 M518 L519	L384-F515 HydrophobicContact CD1-CD2 4.09Å; V494-F515 HydrophobicContact CG1-CE1 3.88Å; V494-F515 HydrophobicContact CG1-CZ 3.82Å; Y498-F515 AromaticContact CD1-CE2 3.8Å; Y498-F515 HydrophobicContact CD1-CE2 3.8Å; Y498-F515 AromaticContact CD1-CZ 3.73Å; Y498-F515 HydrophobicContact CD1-CZ 3.73Å; Y498-F515 HydrophobicContact CD2-CZ 4.06Å; Y498-F515 AromaticContact CE1-CE2 3.97Å; Y498-F515 HydrophobicContact CE1-CE2 3.97Å; Y498-F515 HydrophobicContact CE1-CZ 4.22Å; Y498-F515 HydrophobicContact CG-CE1 4.23Å; Y498-F515 HydrophobicContact CG-CE2 4.14Å; Y498-F515 AromaticContact CG-CZ 3.58Å; Y498-F515 HydrophobicContact CG-CZ 3.58Å; I502-F515 HydrophobicContact CD1-CB 3.87Å; I502-F515 HydrophobicContact CD1-CD1 3.83Å; I502-F515 HydrophobicContact CD1-CG 3.84Å; W511-F515 WeakPolarHBondContact O-CB 3.46Å; W511-F515 PolarHBondContact O-N 3.44Å; A512-F515 PolarHBondContact O-N 2.87Å; I513-F515 VanDerWaalsContact C-N 3.34Å; I513-F515 PolarHBondContact O-N 3.02Å; F515-L517 PolarHBondContact O-N 2.95Å; F515-M518 HydrophobicContact CD2-CE 3.67Å; F515-M518 HydrophobicContact CE2-CE 3.86Å; F515-M518 WeakPolarHBondContact O-CB 3.35Å; F515-M518 PolarHBondContact O-N 3.47Å; F515-L519 HydrophobicContact CD1-CD1 4.17Å; F515-L519 HydrophobicContact CE1-CD1 3.73Å; F515-L519 HydrophobicContact CE1-CG 4.4Å; F515-L519 HydrophobicContact CZ-CD1 4.16Å; F515-L519 HydrophobicContact CZ-CD2 4.39Å; F515-L519 HydrophobicContact CZ-CG 4.48Å; F515-L519 WeakPolarHBondContact O-CG 3.4Å; F515-L519 PolarHBondContact O-N 2.59Å; F515-L519 VanDerWaalsContact O-N 3.16Å
516	M	96.9	Very high	95.6	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-66.7	-37.3	177.4	-64.9	-62.8	164.5	0	0	112	A247 Y250 M251 F495 P499 A512 I513 M518 L519 I520	A247-M516 HydrophobicContact CB-SD 4.39Å; Y250-M516 VanDerWaalsContact CB-SD 3.55Å; Y250-M516 HydrophobicContact CD1-CE 3.52Å; Y250-M516 HydrophobicContact CD1-SD 4.45Å; Y250-M516 HydrophobicContact CE1-CE 4.27Å; Y250-M516 HydrophobicContact CG-CE 3.79Å; Y250-M516 HydrophobicContact CG-SD 4.13Å; M251-M516 HydrophobicContact CB-CB 3.79Å; M251-M516 HydrophobicContact CG-CB 4.33Å; F495-M516 HydrophobicContact CE1-SD 4.39Å; P499-M516 HydrophobicContact CG-CE 3.86Å; A512-M516 WeakPolarHBondContact O-CB 3.19Å; A512-M516 VanDerWaalsContact O-CG 3.23Å; A512-M516 WeakPolarHBondContact O-CG 3.23Å; A512-M516 PolarHBondContact O-N 2.95Å; I513-M516 PolarHBondContact O-N 3.09Å; M516-M518 VanDerWaalsContact C-N 3.32Å; M516-M518 PolarHBondContact O-N 2.72Å; M516-L519 PolarHBondContact O-N 3.31Å; M516-L519 HydrophobicContact SD-CD1 3.77Å; M516-I520 VanDerWaalsContact O-CG1 3.27Å; M516-I520 WeakPolarHBondContact O-CG1 3.24Å; M516-I520 PolarHBondContact O-N 3.35Å
517	L	97	Very high	96	Very high	56 Å²	56	21.4 Å²	21.4	29%	0.293	12%	0.122	S	C	.	.	H	α-helix	trans	-59	-43.5	173.6	-178.3	59.6	0	0	0	111.7	M251 L376 I380 I513 I514 F515 I520 T521	M251-L517 HydrophobicContact SD-CB 4.11Å; M251-L517 HydrophobicContact SD-CD1 4.25Å; L376-L517 HydrophobicContact CD2-CD1 4.46Å; L376-L517 HydrophobicContact CD2-CD2 3.79Å; L376-L517 HydrophobicContact CD2-CG 3.94Å; I380-L517 HydrophobicContact CD1-CD2 4.49Å; I380-L517 HydrophobicContact CD1-CG 4.42Å; I513-L517 VanDerWaalsContact O-CB 3.27Å; I513-L517 WeakPolarHBondContact O-CB 3.48Å; I513-L517 PolarHBondContact O-N 3.03Å; I514-L517 PolarHBondContact O-N 2.86Å; F515-L517 PolarHBondContact O-N 2.95Å; L517-I520 PolarHBondContact O-N 3.43Å; L517-T521 HydrophobicContact CD1-CG2 4.43Å; L517-T521 PolarHBondContact O-N 3.38Å; L517-T521 PolarHBondContact O-OG1 2.91Å; L517-T521 VanDerWaalsContact O-OG1 3.07Å
518	M	95.8	Very high	96.4	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-59.1	-46.6	174.8	175.4	-177	71.2	0	0	111.8	I166 P377 I380 L381 L384 I514 F515 M516 I520 T521 L522	I166-M518 HydrophobicContact CG2-CE 4.03Å; P377-M518 HydrophobicContact CB-CG 4.14Å; I380-M518 HydrophobicContact CB-CB 4.18Å; I380-M518 HydrophobicContact CB-CG 4.5Å; I380-M518 HydrophobicContact CB-SD 4.3Å; I380-M518 HydrophobicContact CD1-CB 3.81Å; I380-M518 HydrophobicContact CG2-CB 3.87Å; I380-M518 HydrophobicContact CG2-CG 4.37Å; I380-M518 HydrophobicContact CG2-SD 3.91Å; L381-M518 HydrophobicContact CD2-CE 4.48Å; L381-M518 HydrophobicContact CD2-SD 3.73Å; L381-M518 HydrophobicContact CG-SD 3.78Å; L384-M518 HydrophobicContact CD1-CE 4.22Å; I514-M518 PolarHBondContact O-N 3.01Å; F515-M518 HydrophobicContact CD2-CE 3.67Å; F515-M518 HydrophobicContact CE2-CE 3.86Å; F515-M518 WeakPolarHBondContact O-CB 3.35Å; F515-M518 PolarHBondContact O-N 3.47Å; M516-M518 VanDerWaalsContact C-N 3.32Å; M516-M518 PolarHBondContact O-N 2.72Å; M518-I520 VanDerWaalsContact C-N 3.32Å; M518-I520 PolarHBondContact O-N 3.46Å; M518-T521 WeakPolarHBondContact CA-OG1 3.26Å; M518-T521 PolarHBondContact O-N 3.42Å; M518-T521 PolarHBondContact O-OG1 2.94Å; M518-L522 HydrophobicContact CG-CD1 3.78Å; M518-L522 HydrophobicContact CG-CG 4.39Å; M518-L522 WeakPolarHBondContact O-CB 3.35Å; M518-L522 VanDerWaalsContact O-CG 3.26Å; M518-L522 WeakPolarHBondContact O-CG 2.97Å; M518-L522 PolarHBondContact O-N 3.41Å
519	L	95.7	Very high	96.6	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-60.9	-42	177.4	-61.4	173.7	0	0	0	111.7	L163 W167 A247 V494 F515 M516 G523	L163-L519 HydrophobicContact CD2-CB 3.89Å; L163-L519 HydrophobicContact CD2-CD2 3.55Å; L163-L519 HydrophobicContact CD2-CG 4.32Å; L163-L519 WeakPolarHBondContact CD2-O 3.15Å; W167-L519 HydrophobicContact CE3-CD2 4.08Å; W167-L519 HydrophobicContact CZ3-CD2 4.31Å; A247-L519 HydrophobicContact CB-CB 4.01Å; A247-L519 HydrophobicContact CB-CD1 4.38Å; V494-L519 HydrophobicContact CG1-CD1 3.22Å; V494-L519 HydrophobicContact CG1-CD2 3.8Å; V494-L519 HydrophobicContact CG1-CG 4.15Å; F515-L519 HydrophobicContact CD1-CD1 4.17Å; F515-L519 HydrophobicContact CE1-CD1 3.73Å; F515-L519 HydrophobicContact CE1-CG 4.4Å; F515-L519 HydrophobicContact CZ-CD1 4.16Å; F515-L519 HydrophobicContact CZ-CD2 4.39Å; F515-L519 HydrophobicContact CZ-CG 4.48Å; F515-L519 WeakPolarHBondContact O-CG 3.4Å; F515-L519 PolarHBondContact O-N 2.59Å; F515-L519 VanDerWaalsContact O-N 3.16Å; M516-L519 PolarHBondContact O-N 3.31Å; M516-L519 HydrophobicContact SD-CD1 3.77Å; L519-G523 PolarHBondContact O-N 3.33Å
520	I	97.9	Very high	96.7	Very high	12 Å²	12	17.3 Å²	17.3	6%	0.062	9%	0.089	C	C	.	.	H	α-helix	trans	-61.7	-49.9	177.8	-66.2	161.7	0	0	0	110	I244 A247 L248 M251 M516 L517 M518 L522 G523 L524	I244-I520 HydrophobicContact CG2-CB 4.45Å; I244-I520 HydrophobicContact CG2-CG1 4.44Å; I244-I520 HydrophobicContact CG2-CG2 4.1Å; A247-I520 HydrophobicContact CB-CD1 4.5Å; A247-I520 HydrophobicContact CB-CG1 3.74Å; L248-I520 HydrophobicContact CB-CD1 4.12Å; L248-I520 HydrophobicContact CD1-CD1 4.25Å; M251-I520 HydrophobicContact CB-CD1 4.29Å; M251-I520 HydrophobicContact CE-CD1 3.66Å; M251-I520 HydrophobicContact SD-CD1 3.8Å; M516-I520 VanDerWaalsContact O-CG1 3.27Å; M516-I520 WeakPolarHBondContact O-CG1 3.24Å; M516-I520 PolarHBondContact O-N 3.35Å; L517-I520 PolarHBondContact O-N 3.43Å; M518-I520 VanDerWaalsContact C-N 3.32Å; M518-I520 PolarHBondContact O-N 3.46Å; I520-L522 PolarHBondContact O-N 3.29Å; I520-G523 PolarHBondContact O-N 2.85Å; I520-L524 HydrophobicContact CG2-CD1 3.85Å; I520-L524 HydrophobicContact CG2-CG 4.27Å; I520-L524 WeakPolarHBondContact O-CB 3.33Å; I520-L524 VanDerWaalsContact O-CG 3.26Å; I520-L524 WeakPolarHBondContact O-CG 3.38Å; I520-L524 PolarHBondContact O-N 3.2Å
521	T	97.4	Very high	96.8	Very high	7 Å²	7	12 Å²	12	4%	0.043	7%	0.066	C	C	.	.	H	α-helix	trans	-65.3	-40.3	-177.9	48.9	0	0	0	0	113.1	T373 L376 P377 L517 M518 L524 D525	T373-T521 HydrophobicContact CG2-CG2 4.17Å; L376-T521 HydrophobicContact CD2-CG2 4.15Å; P377-T521 WeakPolarHBondContact CG-OG1 3.45Å; L517-T521 HydrophobicContact CD1-CG2 4.43Å; L517-T521 PolarHBondContact O-N 3.38Å; L517-T521 PolarHBondContact O-OG1 2.91Å; L517-T521 VanDerWaalsContact O-OG1 3.07Å; M518-T521 WeakPolarHBondContact CA-OG1 3.26Å; M518-T521 PolarHBondContact O-N 3.42Å; M518-T521 PolarHBondContact O-OG1 2.94Å; T521-L524 PolarHBondContact O-N 3.08Å; T521-D525 PolarHBondContact O-N 3.31Å
522	L	96.4	Very high	97	Very high	3 Å²	3	10.4 Å²	10.4	2%	0.016	6%	0.06	C	C	.	.	H	α-helix	trans	-62.3	-43.3	174.3	-72.6	168.4	0	0	0	111.5	V161 L163 I166 P377 M518 I520 S526	V161-L522 HydrophobicContact CG1-CD2 3.96Å; V161-L522 WeakPolarHBondContact O-CD2 3.29Å; L163-L522 HydrophobicContact CD2-CB 4.15Å; I166-L522 HydrophobicContact CB-CD1 4.47Å; I166-L522 HydrophobicContact CD1-CD1 4.35Å; I166-L522 HydrophobicContact CG1-CD1 3.42Å; I166-L522 VanDerWaalsContact CG1-CD1 3.42Å; P377-L522 HydrophobicContact CB-CD1 4.46Å; P377-L522 HydrophobicContact CB-CD2 3.7Å; P377-L522 HydrophobicContact CB-CG 3.95Å; P377-L522 HydrophobicContact CG-CD2 3.7Å; P377-L522 HydrophobicContact CG-CG 3.79Å; M518-L522 HydrophobicContact CG-CD1 3.78Å; M518-L522 HydrophobicContact CG-CG 4.39Å; M518-L522 WeakPolarHBondContact O-CB 3.35Å; M518-L522 VanDerWaalsContact O-CG 3.26Å; M518-L522 WeakPolarHBondContact O-CG 2.97Å; M518-L522 PolarHBondContact O-N 3.41Å; I520-L522 PolarHBondContact O-N 3.29Å; L522-S526 PolarHBondContact O-OG 2.96Å
523	G	96.8	Very high	97.1	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-67.4	-35.6	178.4	0	0	0	0	0	113.4	Y240 I244 L519 I520 T527	Y240-G523 WeakPolarHBondContact CE1-O 3.43Å; I244-G523 WeakPolarHBondContact CD1-O 3.41Å; L519-G523 PolarHBondContact O-N 3.33Å; I520-G523 PolarHBondContact O-N 2.85Å; G523-T527 PolarHBondContact O-N 3.19Å; G523-T527 VanDerWaalsContact O-N 3.16Å; G523-T527 PolarHBondContact O-OG1 2.96Å
524	L	98.2	Very high	97.2	Very high	8 Å²	8	8.7 Å²	8.7	4%	0.042	5%	0.051	C	C	.	.	H	α-helix	trans	-63.9	-42.9	-179.9	-79	173.6	0	0	0	112	V351 I354 V355 T373 I520 T521 T527 F528	V351-L524 HydrophobicContact CG1-CD2 4.19Å; I354-L524 HydrophobicContact CG2-CD1 3.99Å; I354-L524 HydrophobicContact CG2-CD2 4.1Å; V355-L524 HydrophobicContact CG2-CD2 3.79Å; T373-L524 HydrophobicContact CG2-CB 4.35Å; T373-L524 HydrophobicContact CG2-CD1 4.23Å; I520-L524 HydrophobicContact CG2-CD1 3.85Å; I520-L524 HydrophobicContact CG2-CG 4.27Å; I520-L524 WeakPolarHBondContact O-CB 3.33Å; I520-L524 VanDerWaalsContact O-CG 3.26Å; I520-L524 WeakPolarHBondContact O-CG 3.38Å; I520-L524 PolarHBondContact O-N 3.2Å; T521-L524 PolarHBondContact O-N 3.08Å; L524-T527 CarbonylContact O-C 3.6Å; L524-T527 WeakPolarHBondContact O-CB 3.39Å; L524-T527 PolarHBondContact O-N 3.3Å; L524-T527 VanDerWaalsContact O-N 3.13Å; L524-F528 HydrophobicContact CB-CE1 4.12Å; L524-F528 HydrophobicContact CB-CE2 4.24Å; L524-F528 HydrophobicContact CB-CZ 3.79Å; L524-F528 HydrophobicContact CD2-CE1 4.06Å; L524-F528 HydrophobicContact CD2-CZ 4.26Å; L524-F528 HydrophobicContact CG-CZ 4.42Å; L524-F528 WeakPolarHBondContact O-CD1 3.47Å; L524-F528 WeakPolarHBondContact O-CG 3.3Å; L524-F528 PolarHBondContact O-N 3.13Å
525	D	97.7	Very high	97.2	Very high	4 Å²	4	7.6 Å²	7.6	2%	0.021	5%	0.046	C	C	.	.	H	α-helix	trans	-65.1	-42.2	-179.1	-75.7	-27.7	0	0	0	112.8	G158 T373 A374 T521 T527 F528 G529	G158-D525 VanDerWaalsContact C-CB 3.4Å; G158-D525 WeakPolarHBondContact O-CB 3.16Å; T373-D525 WeakPolarHBondContact CB-OD1 3.17Å; T373-D525 PolarHBondContact OG1-OD1 2.88Å; T373-D525 PolarHBondContact OG1-OD2 3.26Å; A374-D525 WeakPolarHBondContact CA-OD2 3.49Å; A374-D525 WeakPolarHBondContact CB-OD2 3.39Å; A374-D525 PolarHBondContact N-OD2 3.13Å; T521-D525 PolarHBondContact O-N 3.31Å; D525-T527 PolarHBondContact O-N 2.97Å; D525-F528 PolarHBondContact O-N 3.08Å; D525-G529 PolarHBondContact O-N 3.06Å
526	S	96.1	Very high	97.3	Very high	16 Å²	16	7.4 Å²	7.4	11%	0.112	5%	0.045	C	C	.	.	H	α-helix	trans	-60.3	-38.5	173.2	-40.8	0	0	0	0	111.3	D162 Y240 L522 G530	D162-S526 WeakPolarHBondContact CB-OG 3.36Å; Y240-S526 PolarHBondContact OH-OG 3.02Å; L522-S526 PolarHBondContact O-OG 2.96Å; S526-G530 PolarHBondContact O-N 2.87Å
527	T	97.6	Very high	97.3	Very high	6 Å²	6	7.3 Å²	7.3	4%	0.037	4%	0.044	C	C	.	.	H	α-helix	trans	-67.3	-41.9	176.9	-58.4	0	0	0	0	111.9	N241 V355 G523 L524 D525 G529 G530 L531	N241-T527 WeakPolarHBondContact OD1-CG2 3.39Å; N241-T527 PolarHBondContact OD1-OG1 2.99Å; V355-T527 HydrophobicContact CG1-CG2 3.94Å; V355-T527 HydrophobicContact CG2-CG2 3.71Å; G523-T527 PolarHBondContact O-N 3.19Å; G523-T527 VanDerWaalsContact O-N 3.16Å; G523-T527 PolarHBondContact O-OG1 2.96Å; L524-T527 CarbonylContact O-C 3.6Å; L524-T527 WeakPolarHBondContact O-CB 3.39Å; L524-T527 PolarHBondContact O-N 3.3Å; L524-T527 VanDerWaalsContact O-N 3.13Å; D525-T527 PolarHBondContact O-N 2.97Å; T527-G529 VanDerWaalsContact C-N 3.35Å; T527-G529 PolarHBondContact O-N 3.41Å; T527-G530 PolarHBondContact O-N 3.34Å; T527-L531 HydrophobicContact CG2-CD1 4.18Å; T527-L531 HydrophobicContact CG2-CG 4.22Å; T527-L531 WeakPolarHBondContact O-CB 3.45Å; T527-L531 WeakPolarHBondContact O-CG 3.14Å; T527-L531 PolarHBondContact O-N 3.29Å
528	F	98.1	Very high	97.3	Very high	8 Å²	8	7.2 Å²	7.2	4%	0.035	4%	0.043	C	C	.	.	H	α-helix	trans	-58.4	-49.3	176.4	-61.5	-16.7	0	0	0	110.4	V355 S358 L359 A369 V370 T373 L524 D525 E532	V355-F528 HydrophobicContact CB-CE1 4.36Å; V355-F528 HydrophobicContact CG1-CD1 4.45Å; V355-F528 HydrophobicContact CG2-CD1 4.29Å; V355-F528 HydrophobicContact CG2-CE1 3.95Å; S358-F528 VanDerWaalsContact CB-CE1 3.46Å; S358-F528 WeakPolarHBondContact OG-CE1 3.39Å; S358-F528 WeakPolarHBondContact OG-CZ 3.44Å; L359-F528 HydrophobicContact CD2-CB 4.07Å; A369-F528 HydrophobicContact CB-CE2 3.85Å; A369-F528 HydrophobicContact CB-CZ 4.39Å; V370-F528 HydrophobicContact CG1-CD2 4.4Å; T373-F528 HydrophobicContact CG2-CE2 4.18Å; L524-F528 HydrophobicContact CB-CE1 4.12Å; L524-F528 HydrophobicContact CB-CE2 4.24Å; L524-F528 HydrophobicContact CB-CZ 3.79Å; L524-F528 HydrophobicContact CD2-CE1 4.06Å; L524-F528 HydrophobicContact CD2-CZ 4.26Å; L524-F528 HydrophobicContact CG-CZ 4.42Å; L524-F528 WeakPolarHBondContact O-CD1 3.47Å; L524-F528 WeakPolarHBondContact O-CG 3.3Å; L524-F528 PolarHBondContact O-N 3.13Å; D525-F528 PolarHBondContact O-N 3.08Å; F528-E532 VanDerWaalsContact O-CB 3.28Å; F528-E532 WeakPolarHBondContact O-CB 3.43Å; F528-E532 PolarHBondContact O-N 2.88Å
529	G	97.5	Very high	97.3	Very high	4 Å²	4	8 Å²	8	4%	0.041	5%	0.048	C	C	.	.	H	α-helix	trans	-61.6	-50.5	177.2	0	0	0	0	0	112.9	V432 D525 T527 L531 E532 A533	V432-G529 VanDerWaalsContact CG1-CA 3.49Å; V432-G529 VanDerWaalsContact CG2-C 3.48Å; V432-G529 WeakPolarHBondContact CG2-O 3.37Å; D525-G529 PolarHBondContact O-N 3.06Å; T527-G529 VanDerWaalsContact C-N 3.35Å; T527-G529 PolarHBondContact O-N 3.41Å; G529-L531 PolarHBondContact O-N 2.96Å; G529-E532 PolarHBondContact O-N 3.13Å; G529-A533 PolarHBondContact O-N 3.35Å
530	G	97.3	Very high	97.1	Very high	14 Å²	14	10.2 Å²	10.2	14%	0.144	6%	0.059	C	C	.	.	H	α-helix	trans	-59.7	-45	-177.8	0	0	0	0	0	113.4	S526 T527 A533 I534	S526-G530 PolarHBondContact O-N 2.87Å; T527-G530 PolarHBondContact O-N 3.34Å; G530-A533 WeakPolarHBondContact O-CB 3.32Å; G530-A533 PolarHBondContact O-N 2.68Å; G530-I534 PolarHBondContact O-N 3.32Å
531	L	98.3	Very high	96.8	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-73.2	-37.2	177.2	-64.9	-166.8	0	0	0	112.3	A237 V355 L359 T527 G529 A533 I534 I535 V557 C560	A237-L531 HydrophobicContact CB-CD2 3.73Å; V355-L531 HydrophobicContact CG1-CD1 3.56Å; L359-L531 HydrophobicContact CD1-CB 3.6Å; L359-L531 HydrophobicContact CD1-CD1 4.18Å; L359-L531 HydrophobicContact CD1-CG 4.47Å; T527-L531 HydrophobicContact CG2-CD1 4.18Å; T527-L531 HydrophobicContact CG2-CG 4.22Å; T527-L531 WeakPolarHBondContact O-CB 3.45Å; T527-L531 WeakPolarHBondContact O-CG 3.14Å; T527-L531 PolarHBondContact O-N 3.29Å; G529-L531 PolarHBondContact O-N 2.96Å; L531-A533 PolarHBondContact O-N 3.21Å; L531-I534 HydrophobicContact CD2-CD1 4.22Å; L531-I534 PolarHBondContact O-N 3.05Å; L531-I534 VanDerWaalsContact O-N 3.15Å; L531-I535 HydrophobicContact CB-CD1 4.28Å; L531-I535 WeakPolarHBondContact O-CB 3.22Å; L531-I535 WeakPolarHBondContact O-CD1 3.07Å; L531-I535 WeakPolarHBondContact O-CG1 3.47Å; L531-I535 PolarHBondContact O-N 3.1Å; L531-V557 HydrophobicContact CD1-CG2 4.41Å; L531-C560 VanDerWaalsContact CD2-SG 3.54Å
532	E	98	Very high	96.5	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.009	9%	0.094	C	C	.	.	H	α-helix	trans	-60.2	-33.5	174.4	-167.7	62.5	-140.5	0	0	111.2	L359 Y439 F528 G529 I535 T536 R549	L359-E532 HydrophobicContact CD2-CB 4.43Å; Y439-E532 HydrophobicContact CE2-CG 4.45Å; Y439-E532 PolarHBondContact OH-OE1 3.06Å; F528-E532 VanDerWaalsContact O-CB 3.28Å; F528-E532 WeakPolarHBondContact O-CB 3.43Å; F528-E532 PolarHBondContact O-N 2.88Å; G529-E532 PolarHBondContact O-N 3.13Å; E532-I535 PolarHBondContact O-N 3.44Å; E532-T536 WeakPolarHBondContact O-CB 3.48Å; E532-T536 PolarHBondContact O-N 2.84Å; E532-T536 PolarHBondContact O-OG1 3.29Å; E532-T536 PolarHBondContact OE1-OG1 2.94Å; E532-R549 VanDerWaalsContact CD-NH2 3.28Å; E532-R549 IonicContact OE1-CZ 3.99Å; E532-R549 IonicContact OE1-NH1 3.98Å; E532-R549 PolarHBondContact OE1-NH1 3.37Å; E532-R549 IonicContact OE1-NH2 3.91Å; E532-R549 PolarHBondContact OE1-NH2 3.11Å; E532-R549 IonicContact OE2-CZ 3.71Å; E532-R549 IonicContact OE2-NH2 2.9Å; E532-R549 PolarHBondContact OE2-NH2 2.92Å
533	A	98.2	Very high	95.9	Very high	2 Å²	2	19.5 Å²	19.5	2%	0.017	12%	0.12	C	C	.	.	H	α-helix	trans	-60.5	-46.6	174.1	0	0	0	0	0	112.6	V432 A435 G529 G530 L531 A537	V432-A533 HydrophobicContact CG2-CB 4.11Å; A435-A533 HydrophobicContact CB-CB 4.19Å; G529-A533 PolarHBondContact O-N 3.35Å; G530-A533 WeakPolarHBondContact O-CB 3.32Å; G530-A533 PolarHBondContact O-N 2.68Å; L531-A533 PolarHBondContact O-N 3.21Å; A533-A537 WeakPolarHBondContact O-CB 3.3Å; A533-A537 PolarHBondContact O-N 3.13Å
534	I	98.2	Very high	95.5	Very high	8 Å²	8	23.6 Å²	23.6	4%	0.041	15%	0.154	C	C	.	.	H	α-helix	trans	-65.1	-49.6	176.5	-59.4	172.8	0	0	0	110.4	A233 G530 L531 T536 A537 I538	A233-I534 HydrophobicContact CB-CD1 3.72Å; A233-I534 HydrophobicContact CB-CG1 3.68Å; G530-I534 PolarHBondContact O-N 3.32Å; L531-I534 HydrophobicContact CD2-CD1 4.22Å; L531-I534 PolarHBondContact O-N 3.05Å; L531-I534 VanDerWaalsContact O-N 3.15Å; I534-T536 VanDerWaalsContact C-N 3.35Å; I534-T536 PolarHBondContact O-N 3.09Å; I534-A537 PolarHBondContact O-N 3.1Å; I534-I538 HydrophobicContact CG2-CD1 3.73Å; I534-I538 HydrophobicContact CG2-CG1 4.49Å; I534-I538 WeakPolarHBondContact O-CG1 3.33Å; I534-I538 PolarHBondContact O-N 3.09Å
535	I	98	Very high	95.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.6	-50.5	-178.1	-70.2	159.2	0	0	0	109.7	L359 L531 E532 A537 I538 M539 F552 V553 V556	L359-I535 HydrophobicContact CB-CD1 4.48Å; L359-I535 HydrophobicContact CD1-CD1 4.13Å; L531-I535 HydrophobicContact CB-CD1 4.28Å; L531-I535 WeakPolarHBondContact O-CB 3.22Å; L531-I535 WeakPolarHBondContact O-CD1 3.07Å; L531-I535 WeakPolarHBondContact O-CG1 3.47Å; L531-I535 PolarHBondContact O-N 3.1Å; E532-I535 PolarHBondContact O-N 3.44Å; I535-A537 PolarHBondContact O-N 3.02Å; I535-I538 PolarHBondContact O-N 2.91Å; I535-M539 HydrophobicContact CG2-CG 4.29Å; I535-M539 HydrophobicContact CG2-SD 3.38Å; I535-M539 WeakPolarHBondContact CG2-SD 3.41Å; I535-M539 WeakPolarHBondContact O-CB 3.45Å; I535-M539 VanDerWaalsContact O-CG 3.23Å; I535-M539 WeakPolarHBondContact O-CG 3.26Å; I535-M539 PolarHBondContact O-N 3.03Å; I535-F552 HydrophobicContact CB-CE1 4.35Å; I535-F552 HydrophobicContact CG1-CE1 4.42Å; I535-F552 HydrophobicContact CG2-CD1 4.31Å; I535-F552 HydrophobicContact CG2-CE1 4.04Å; I535-V553 HydrophobicContact CD1-CG1 4.17Å; I535-V553 HydrophobicContact CD1-CG2 3.94Å; I535-V553 HydrophobicContact CG1-CG2 4.39Å; I535-V553 HydrophobicContact CG2-CG2 4.18Å; I535-V556 HydrophobicContact CG1-CB 4.44Å; I535-V556 HydrophobicContact CG1-CG1 4.22Å; I535-V556 HydrophobicContact CG1-CG2 4.29Å
536	T	96.7	Very high	94.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.2	-46.6	179.1	-59.4	0	0	0	0	111.4	A435 Y439 E532 I534 I538 M539 D540	A435-T536 HydrophobicContact CB-CG2 4.38Å; Y439-T536 HydrophobicContact CE2-CG2 4.23Å; Y439-T536 PolarHBondContact OH-OG1 2.9Å; E532-T536 WeakPolarHBondContact O-CB 3.48Å; E532-T536 PolarHBondContact O-N 2.84Å; E532-T536 PolarHBondContact O-OG1 3.29Å; E532-T536 PolarHBondContact OE1-OG1 2.94Å; I534-T536 VanDerWaalsContact C-N 3.35Å; I534-T536 PolarHBondContact O-N 3.09Å; T536-I538 VanDerWaalsContact C-N 3.34Å; T536-I538 PolarHBondContact O-N 3.16Å; T536-M539 PolarHBondContact O-N 2.97Å; T536-D540 WeakPolarHBondContact O-CB 3.21Å; T536-D540 VanDerWaalsContact O-CG 3.29Å; T536-D540 PolarHBondContact O-N 2.95Å
537	A	97.4	Very high	94	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.8	-43.3	-178.1	0	0	0	0	0	112.5	C211 L212 A533 I534 I535 S541	C211-A537 VanDerWaalsContact SG-CB 3.52Å; L212-A537 HydrophobicContact CB-CB 4.21Å; L212-A537 HydrophobicContact CD1-CB 4.02Å; L212-A537 HydrophobicContact CG-CB 3.89Å; A533-A537 WeakPolarHBondContact O-CB 3.3Å; A533-A537 PolarHBondContact O-N 3.13Å; I534-A537 PolarHBondContact O-N 3.1Å; I535-A537 PolarHBondContact O-N 3.02Å; A537-S541 PolarHBondContact O-N 3.34Å; A537-S541 PolarHBondContact O-OG 3.45Å
538	I	96.9	Very high	93.8	Very high	53 Å²	53	40.2 Å²	40.2	27%	0.272	25%	0.25	S	S	.	.	H	α-helix	trans	-74.2	-44.9	-179.7	-63.5	172.3	0	0	0	110.9	L212 I534 I535 T536 D540 S541 V542 L545 F552	L212-I538 HydrophobicContact CD1-CG1 4.42Å; I534-I538 HydrophobicContact CG2-CD1 3.73Å; I534-I538 HydrophobicContact CG2-CG1 4.49Å; I534-I538 WeakPolarHBondContact O-CG1 3.33Å; I534-I538 PolarHBondContact O-N 3.09Å; I535-I538 PolarHBondContact O-N 2.91Å; T536-I538 VanDerWaalsContact C-N 3.34Å; T536-I538 PolarHBondContact O-N 3.16Å; I538-D540 VanDerWaalsContact C-N 3.3Å; I538-D540 PolarHBondContact O-N 3.32Å; I538-S541 CarbonylContact O-C 3.52Å; I538-S541 PolarHBondContact O-N 2.54Å; I538-V542 PolarHBondContact O-N 3.1Å; I538-L545 HydrophobicContact CG2-CD1 3.77Å; I538-F552 HydrophobicContact CB-CE1 4.36Å; I538-F552 HydrophobicContact CB-CZ 3.74Å; I538-F552 HydrophobicContact CD1-CZ 4.05Å; I538-F552 HydrophobicContact CG1-CZ 4.5Å; I538-F552 HydrophobicContact CG2-CE1 4.37Å; I538-F552 HydrophobicContact CG2-CE2 3.96Å; I538-F552 HydrophobicContact CG2-CZ 3.51Å
539	M	94.4	Very high	93.6	Very high	19 Å²	19	40.9 Å²	40.9	9%	0.094	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-36.3	179.7	-72	175.4	77.6	0	0	112.5	I535 T536 S541 V542 L545 R549 F552	I535-M539 HydrophobicContact CG2-CG 4.29Å; I535-M539 HydrophobicContact CG2-SD 3.38Å; I535-M539 WeakPolarHBondContact CG2-SD 3.41Å; I535-M539 WeakPolarHBondContact O-CB 3.45Å; I535-M539 VanDerWaalsContact O-CG 3.23Å; I535-M539 WeakPolarHBondContact O-CG 3.26Å; I535-M539 PolarHBondContact O-N 3.03Å; T536-M539 PolarHBondContact O-N 2.97Å; M539-S541 VanDerWaalsContact C-N 3.28Å; M539-S541 PolarHBondContact O-N 2.95Å; M539-V542 CarbonylContact O-C 3.28Å; M539-V542 VanDerWaalsContact O-C 3.25Å; M539-V542 PolarHBondContact O-N 3.31Å; M539-L545 HydrophobicContact CG-CB 4.35Å; M539-R549 HydrophobicContact CE-CB 3.76Å; M539-R549 HydrophobicContact CE-CG 3.71Å; M539-R549 HydrophobicContact SD-CG 4.07Å; M539-F552 HydrophobicContact CG-CD1 3.69Å; M539-F552 HydrophobicContact CG-CE1 3.61Å; M539-F552 HydrophobicContact SD-CD1 3.96Å; M539-F552 HydrophobicContact SD-CE1 4.21Å
540	D	91.8	Very high	93.6	Very high	48 Å²	48	44.3 Å²	44.3	26%	0.257	27%	0.267	S	S	.	.	H	α-helix	trans	-71.4	-24.1	175.2	-74.2	-18.1	0	0	0	112.7	R143 S209 G210 T536 I538	R143-D540 IonicContact CZ-OD2 3.83Å; R143-D540 IonicContact NH1-OD1 2.73Å; R143-D540 PolarHBondContact NH1-OD1 3.01Å; R143-D540 VanDerWaalsContact NH1-OD1 3.14Å; R143-D540 IonicContact NH1-OD2 3Å; R143-D540 PolarHBondContact NH1-OD2 3.46Å; R143-D540 IonicContact NH2-OD2 2.98Å; S209-D540 WeakPolarHBondContact CA-OD2 3.1Å; G210-D540 PolarHBondContact N-OD2 2.74Å; T536-D540 WeakPolarHBondContact O-CB 3.21Å; T536-D540 VanDerWaalsContact O-CG 3.29Å; T536-D540 PolarHBondContact O-N 2.95Å; I538-D540 VanDerWaalsContact C-N 3.3Å; I538-D540 PolarHBondContact O-N 3.32Å
541	S	91.2	Very high	93.6	Very high	58 Å²	58	48.3 Å²	48.3	41%	0.406	29%	0.289	S	S	.	.	H	α-helix	trans	-86.8	-27.7	175.9	-59.2	0	0	0	0	112.4	L212 A537 I538 M539	L212-S541 WeakPolarHBondContact CB-OG 3.18Å; A537-S541 PolarHBondContact O-N 3.34Å; A537-S541 PolarHBondContact O-OG 3.45Å; I538-S541 CarbonylContact O-C 3.52Å; I538-S541 PolarHBondContact O-N 2.54Å; M539-S541 VanDerWaalsContact C-N 3.28Å; M539-S541 PolarHBondContact O-N 2.95Å
542	V	92.1	Very high	93.6	Very high	69 Å²	69	49.6 Å²	49.6	42%	0.418	29%	0.294	S	S	.	.			trans	-130.6	79	-178	-169.8	0	0	0	0	109.5	I538 M539 A544 L545	I538-V542 PolarHBondContact O-N 3.1Å; M539-V542 CarbonylContact O-C 3.28Å; M539-V542 VanDerWaalsContact O-C 3.25Å; M539-V542 PolarHBondContact O-N 3.31Å; V542-A544 PolarHBondContact O-N 3.06Å; V542-L545 HydrophobicContact CB-CD1 3.97Å; V542-L545 HydrophobicContact CB-CG 4.26Å; V542-L545 HydrophobicContact CG1-CD1 4.12Å; V542-L545 HydrophobicContact CG1-CG 4Å; V542-L545 WeakPolarHBondContact O-CB 3.46Å; V542-L545 PolarHBondContact O-N 2.69Å
543	P	84.3	Confident	93.6	Very high	89 Å²	89	49.5 Å²	49.5	58%	0.578	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-57.9	-24.6	-173.4	-27.6	35.9	0	0	0	114.7	L545 S546	P543-L545 PolarHBondContact O-N 3.21Å; P543-L545 VanDerWaalsContact O-N 3.13Å; P543-S546 VanDerWaalsContact O-CB 3.29Å; P543-S546 WeakPolarHBondContact O-CB 3.26Å; P543-S546 PolarHBondContact O-N 3.14Å; P543-S546 PolarHBondContact O-OG 3.02Å
544	A	87.9	Confident	93.6	Very high	86 Å²	86	52.8 Å²	52.8	71%	0.711	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-58.1	-24.1	175.9	0	0	0	0	0	113.6	V542 S546	V542-A544 PolarHBondContact O-N 3.06Å; A544-S546 VanDerWaalsContact C-N 3.32Å
545	L	89.5	Confident	93.6	Very high	50 Å²	50	55 Å²	55	26%	0.262	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-75.2	-20.6	176.6	-63.8	175.3	0	0	0	112.9	I538 M539 V542 P543 G547 R548 R549 F552	I538-L545 HydrophobicContact CG2-CD1 3.77Å; M539-L545 HydrophobicContact CG-CB 4.35Å; V542-L545 HydrophobicContact CB-CD1 3.97Å; V542-L545 HydrophobicContact CB-CG 4.26Å; V542-L545 HydrophobicContact CG1-CD1 4.12Å; V542-L545 HydrophobicContact CG1-CG 4Å; V542-L545 WeakPolarHBondContact O-CB 3.46Å; V542-L545 PolarHBondContact O-N 2.69Å; P543-L545 PolarHBondContact O-N 3.21Å; P543-L545 VanDerWaalsContact O-N 3.13Å; L545-G547 PolarHBondContact O-N 3.46Å; L545-R548 CarbonylContact O-C 3.51Å; L545-R548 VanDerWaalsContact O-C 3.27Å; L545-R548 PolarHBondContact O-N 3.28Å; L545-R549 PolarHBondContact O-N 3.47Å; L545-F552 HydrophobicContact CB-CG 4.36Å; L545-F552 HydrophobicContact CD1-CD2 3.81Å; L545-F552 HydrophobicContact CD1-CE2 3.76Å; L545-F552 HydrophobicContact CD1-CG 4.25Å; L545-F552 HydrophobicContact CD1-CZ 4.16Å; L545-F552 HydrophobicContact CD2-CD2 4.21Å; L545-F552 HydrophobicContact CG-CD2 4.46Å
546	S	84.4	Confident	93.7	Very high	71 Å²	71	55.4 Å²	55.4	50%	0.497	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-59.6	-42.7	-179.2	65.9	0	0	0	0	113	P543 A544 R548 R549	P543-S546 VanDerWaalsContact O-CB 3.29Å; P543-S546 WeakPolarHBondContact O-CB 3.26Å; P543-S546 PolarHBondContact O-N 3.14Å; P543-S546 PolarHBondContact O-OG 3.02Å; A544-S546 VanDerWaalsContact C-N 3.32Å; S546-R548 PolarHBondContact O-N 3.34Å; S546-R548 VanDerWaalsContact O-N 3.13Å; S546-R549 PolarHBondContact O-N 3.41Å
547	G	86.4	Confident	93.8	Very high	73 Å²	73	55.9 Å²	55.9	75%	0.753	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-68	-8.1	175.9	0	0	0	0	0	114.6	L545	L545-G547 PolarHBondContact O-N 3.46Å
548	R	92.6	Very high	93.8	Very high	190 Å²	190	59.9 Å²	59.9	72%	0.717	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-130.6	32.8	179.1	-62	-174.4	178.7	-178.1	-0.3	111.8	L545 S546 E550 V551 F552	L545-R548 CarbonylContact O-C 3.51Å; L545-R548 VanDerWaalsContact O-C 3.27Å; L545-R548 PolarHBondContact O-N 3.28Å; S546-R548 PolarHBondContact O-N 3.34Å; S546-R548 VanDerWaalsContact O-N 3.13Å; R548-E550 VanDerWaalsContact C-N 3.3Å; R548-E550 PolarHBondContact O-N 2.81Å; R548-V551 PolarHBondContact O-N 3.33Å; R548-V551 VanDerWaalsContact O-N 3.11Å; R548-F552 PolarHBondContact O-N 3.22Å
549	R	94.7	Very high	93.9	Very high	21 Å²	21	62.2 Å²	62.2	8%	0.079	36%	0.362	C	S	.	.	H	α-helix	trans	-47.8	-50.1	-174.3	-178.6	177.1	171.2	101.2	8.6	112.5	L359 G362 E532 M539 L545 S546 V551 F552 V553	L359-R549 PolarHBondContact O-NE 2.68Å; L359-R549 PolarHBondContact O-NH2 3.43Å; G362-R549 VanDerWaalsContact CA-NH2 3.34Å; E532-R549 VanDerWaalsContact CD-NH2 3.28Å; E532-R549 IonicContact OE1-CZ 3.99Å; E532-R549 IonicContact OE1-NH1 3.98Å; E532-R549 PolarHBondContact OE1-NH1 3.37Å; E532-R549 IonicContact OE1-NH2 3.91Å; E532-R549 PolarHBondContact OE1-NH2 3.11Å; E532-R549 IonicContact OE2-CZ 3.71Å; E532-R549 IonicContact OE2-NH2 2.9Å; E532-R549 PolarHBondContact OE2-NH2 2.92Å; M539-R549 HydrophobicContact CE-CB 3.76Å; M539-R549 HydrophobicContact CE-CG 3.71Å; M539-R549 HydrophobicContact SD-CG 4.07Å; L545-R549 PolarHBondContact O-N 3.47Å; S546-R549 PolarHBondContact O-N 3.41Å; R549-V551 VanDerWaalsContact C-N 3.35Å; R549-V551 PolarHBondContact O-N 2.93Å; R549-F552 CarbonylContact O-C 3.57Å; R549-F552 WeakPolarHBondContact O-CB 3.45Å; R549-F552 PolarHBondContact O-N 3.01Å; R549-F552 VanDerWaalsContact O-N 3.09Å; R549-V553 HydrophobicContact CG-CG2 3.9Å; R549-V553 VanDerWaalsContact O-CG2 3.28Å; R549-V553 WeakPolarHBondContact O-CG2 3.39Å; R549-V553 PolarHBondContact O-N 2.81Å
550	E	97.3	Very high	94.1	Very high	76 Å²	76	61.3 Å²	61.3	36%	0.355	36%	0.358	S	S	.	.	H	α-helix	trans	-56.1	-46.7	-177.7	-67.3	165.2	-140.2	0	0	112.6	W360 K361 R548 F552 V553 L554	W360-E550 HydrophobicContact CB-CG 4.22Å; K361-E550 VanDerWaalsContact CE-OE1 3.24Å; K361-E550 WeakPolarHBondContact CE-OE1 3.32Å; K361-E550 IonicContact NZ-OE1 3.09Å; K361-E550 PolarHBondContact NZ-OE1 2.7Å; K361-E550 IonicContact NZ-OE2 3.26Å; R548-E550 VanDerWaalsContact C-N 3.3Å; R548-E550 PolarHBondContact O-N 2.81Å; E550-F552 VanDerWaalsContact C-N 3.34Å; E550-V553 PolarHBondContact O-N 3.29Å; E550-L554 WeakPolarHBondContact O-CB 3.32Å; E550-L554 PolarHBondContact O-N 3.32Å
551	V	97.7	Very high	94.4	Very high	99 Å²	99	60.6 Å²	60.6	60%	0.6	35%	0.352	S	S	*	.	H	α-helix	trans	-67.1	-38.5	177.8	-179.1	0	0	0	0	111	R548 R549 L554 A555	R548-V551 PolarHBondContact O-N 3.33Å; R548-V551 VanDerWaalsContact O-N 3.11Å; R549-V551 VanDerWaalsContact C-N 3.35Å; R549-V551 PolarHBondContact O-N 2.93Å; V551-L554 WeakPolarHBondContact O-CB 3.39Å; V551-L554 PolarHBondContact O-N 2.96Å; V551-A555 PolarHBondContact O-N 3.09Å
552	F	98	Very high	94.8	Very high	27 Å²	27	62.6 Å²	62.6	12%	0.118	36%	0.358	C	S	.	.	H	α-helix	trans	-66.2	-44.4	176.7	175	-115.3	0	0	0	112.1	I535 I538 M539 L545 R548 R549 E550 L554 A555 V556	I535-F552 HydrophobicContact CB-CE1 4.35Å; I535-F552 HydrophobicContact CG1-CE1 4.42Å; I535-F552 HydrophobicContact CG2-CD1 4.31Å; I535-F552 HydrophobicContact CG2-CE1 4.04Å; I538-F552 HydrophobicContact CB-CE1 4.36Å; I538-F552 HydrophobicContact CB-CZ 3.74Å; I538-F552 HydrophobicContact CD1-CZ 4.05Å; I538-F552 HydrophobicContact CG1-CZ 4.5Å; I538-F552 HydrophobicContact CG2-CE1 4.37Å; I538-F552 HydrophobicContact CG2-CE2 3.96Å; I538-F552 HydrophobicContact CG2-CZ 3.51Å; M539-F552 HydrophobicContact CG-CD1 3.69Å; M539-F552 HydrophobicContact CG-CE1 3.61Å; M539-F552 HydrophobicContact SD-CD1 3.96Å; M539-F552 HydrophobicContact SD-CE1 4.21Å; L545-F552 HydrophobicContact CB-CG 4.36Å; L545-F552 HydrophobicContact CD1-CD2 3.81Å; L545-F552 HydrophobicContact CD1-CE2 3.76Å; L545-F552 HydrophobicContact CD1-CG 4.25Å; L545-F552 HydrophobicContact CD1-CZ 4.16Å; L545-F552 HydrophobicContact CD2-CD2 4.21Å; L545-F552 HydrophobicContact CG-CD2 4.46Å; R548-F552 PolarHBondContact O-N 3.22Å; R549-F552 CarbonylContact O-C 3.57Å; R549-F552 WeakPolarHBondContact O-CB 3.45Å; R549-F552 PolarHBondContact O-N 3.01Å; R549-F552 VanDerWaalsContact O-N 3.09Å; E550-F552 VanDerWaalsContact C-N 3.34Å; F552-L554 VanDerWaalsContact C-N 3.31Å; F552-L554 PolarHBondContact O-N 3.22Å; F552-A555 WeakPolarHBondContact O-CB 3.32Å; F552-A555 PolarHBondContact O-N 3.26Å; F552-A555 VanDerWaalsContact O-N 3.13Å; F552-V556 HydrophobicContact CD2-CG2 4.36Å; F552-V556 HydrophobicContact CE1-CG2 4.07Å; F552-V556 HydrophobicContact CE2-CG2 3.81Å; F552-V556 HydrophobicContact CZ-CG2 3.64Å; F552-V556 WeakPolarHBondContact O-CG2 3.1Å; F552-V556 PolarHBondContact O-N 2.92Å
553	V	98.4	Very high	95	Very high	0 Å²	0	60 Å²	60	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-61.2	-42.1	175	175.4	0	0	0	0	110.1	Y356 L359 I535 R549 E550 A555 V556 V557	Y356-V553 HydrophobicContact CD2-CG1 4.05Å; Y356-V553 HydrophobicContact CE2-CG1 4.46Å; L359-V553 HydrophobicContact CB-CG1 3.98Å; I535-V553 HydrophobicContact CD1-CG1 4.17Å; I535-V553 HydrophobicContact CD1-CG2 3.94Å; I535-V553 HydrophobicContact CG1-CG2 4.39Å; I535-V553 HydrophobicContact CG2-CG2 4.18Å; R549-V553 HydrophobicContact CG-CG2 3.9Å; R549-V553 VanDerWaalsContact O-CG2 3.28Å; R549-V553 WeakPolarHBondContact O-CG2 3.39Å; R549-V553 PolarHBondContact O-N 2.81Å; E550-V553 PolarHBondContact O-N 3.29Å; V553-A555 VanDerWaalsContact C-N 3.31Å; V553-A555 PolarHBondContact O-N 3.17Å; V553-V556 PolarHBondContact O-N 3Å; V553-V557 HydrophobicContact CG1-CG2 4.37Å; V553-V557 WeakPolarHBondContact O-CB 3.46Å; V553-V557 WeakPolarHBondContact O-CG2 3.43Å; V553-V557 PolarHBondContact O-N 2.84Å
554	L	98.6	Very high	95.7	Very high	72 Å²	72	55.8 Å²	55.8	38%	0.377	32%	0.318	S	S	.	.	H	α-helix	trans	-57.6	-44.5	173.6	-176.9	62	0	0	0	111.5	Y356 E550 V551 F552 V557 I558	Y356-L554 HydrophobicContact CD2-CB 4.16Å; Y356-L554 HydrophobicContact CD2-CD1 4.14Å; Y356-L554 HydrophobicContact CE2-CB 3.63Å; Y356-L554 HydrophobicContact CE2-CD1 4.1Å; Y356-L554 HydrophobicContact CE2-CG 4.42Å; E550-L554 WeakPolarHBondContact O-CB 3.32Å; E550-L554 PolarHBondContact O-N 3.32Å; V551-L554 WeakPolarHBondContact O-CB 3.39Å; V551-L554 PolarHBondContact O-N 2.96Å; F552-L554 VanDerWaalsContact C-N 3.31Å; F552-L554 PolarHBondContact O-N 3.22Å; L554-V557 PolarHBondContact O-N 3.31Å; L554-I558 HydrophobicContact CD1-CD1 4.2Å; L554-I558 HydrophobicContact CD1-CG1 4.44Å; L554-I558 HydrophobicContact CG-CD1 3.94Å; L554-I558 VanDerWaalsContact O-CG1 3.28Å; L554-I558 WeakPolarHBondContact O-CG1 3.39Å; L554-I558 PolarHBondContact O-N 3.34Å
555	A	98.4	Very high	96.2	Very high	53 Å²	53	53.6 Å²	53.6	44%	0.438	29%	0.294	S	S	.	.	H	α-helix	trans	-63.5	-41.7	177.4	0	0	0	0	0	112.6	V551 F552 V553 I558 Y559	V551-A555 PolarHBondContact O-N 3.09Å; F552-A555 WeakPolarHBondContact O-CB 3.32Å; F552-A555 PolarHBondContact O-N 3.26Å; F552-A555 VanDerWaalsContact O-N 3.13Å; V553-A555 VanDerWaalsContact C-N 3.31Å; V553-A555 PolarHBondContact O-N 3.17Å; A555-I558 PolarHBondContact O-N 3.25Å; A555-Y559 WeakPolarHBondContact O-CB 3.14Å; A555-Y559 PolarHBondContact O-N 3.15Å
556	V	98.5	Very high	96.6	Very high	9 Å²	9	54.1 Å²	54.1	6%	0.055	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-42.3	175.3	173.5	0	0	0	0	111.1	I535 F552 V553 Y559 C560	I535-V556 HydrophobicContact CG1-CB 4.44Å; I535-V556 HydrophobicContact CG1-CG1 4.22Å; I535-V556 HydrophobicContact CG1-CG2 4.29Å; F552-V556 HydrophobicContact CD2-CG2 4.36Å; F552-V556 HydrophobicContact CE1-CG2 4.07Å; F552-V556 HydrophobicContact CE2-CG2 3.81Å; F552-V556 HydrophobicContact CZ-CG2 3.64Å; F552-V556 WeakPolarHBondContact O-CG2 3.1Å; F552-V556 PolarHBondContact O-N 2.92Å; V553-V556 PolarHBondContact O-N 3Å; V556-Y559 WeakPolarHBondContact O-CB 3.21Å; V556-Y559 PolarHBondContact O-N 2.87Å; V556-C560 PolarHBondContact O-N 3.49Å; V556-C560 PolarHBondContact O-SG 3.06Å
557	V	98.6	Very high	97.2	Very high	10 Å²	10	50.8 Å²	50.8	6%	0.061	28%	0.277	C	S	.	.	H	α-helix	trans	-64.3	-43.7	176.9	167.9	0	0	0	0	111.2	F352 L531 V553 L554 Y559 C560 F561	F352-V557 HydrophobicContact CB-CG1 3.76Å; F352-V557 HydrophobicContact CD1-CG1 3.86Å; F352-V557 HydrophobicContact CG-CG1 4.12Å; L531-V557 HydrophobicContact CD1-CG2 4.41Å; V553-V557 HydrophobicContact CG1-CG2 4.37Å; V553-V557 WeakPolarHBondContact O-CB 3.46Å; V553-V557 WeakPolarHBondContact O-CG2 3.43Å; V553-V557 PolarHBondContact O-N 2.84Å; L554-V557 PolarHBondContact O-N 3.31Å; V557-Y559 VanDerWaalsContact C-N 3.34Å; V557-Y559 PolarHBondContact O-N 2.95Å; V557-C560 PolarHBondContact O-N 2.9Å; V557-F561 WeakPolarHBondContact O-CB 3.36Å; V557-F561 PolarHBondContact O-N 3.04Å
558	I	98.7	Very high	97.8	Very high	85 Å²	85	47.4 Å²	47.4	44%	0.436	24%	0.242	S	C	.	.	H	α-helix	trans	-61.6	-43.1	175.3	-70.3	167.6	0	0	0	110.8	L554 A555 C560 F561 I562	L554-I558 HydrophobicContact CD1-CD1 4.2Å; L554-I558 HydrophobicContact CD1-CG1 4.44Å; L554-I558 HydrophobicContact CG-CD1 3.94Å; L554-I558 VanDerWaalsContact O-CG1 3.28Å; L554-I558 WeakPolarHBondContact O-CG1 3.39Å; L554-I558 PolarHBondContact O-N 3.34Å; A555-I558 PolarHBondContact O-N 3.25Å; I558-C560 PolarHBondContact O-N 2.96Å; I558-F561 PolarHBondContact O-N 2.87Å; I558-I562 HydrophobicContact CG2-CD1 3.79Å; I558-I562 HydrophobicContact CG2-CG1 4.42Å; I558-I562 VanDerWaalsContact O-CG1 3.31Å; I558-I562 WeakPolarHBondContact O-CG1 3.16Å; I558-I562 PolarHBondContact O-N 3.47Å
559	Y	98.6	Very high	98.1	Very high	101 Å²	101	39 Å²	39	40%	0.396	21%	0.211	S	C	.	.	H	α-helix	trans	-58	-46.1	174	160.9	-101.9	0	0	0	111.9	S234 W238 A555 V556 V557 I562 G563	S234-Y559 WeakPolarHBondContact CB-OH 3.28Å; S234-Y559 PolarHBondContact OG-OH 3.27Å; W238-Y559 HydrophobicContact CZ2-CE1 4.5Å; W238-Y559 HydrophobicContact CZ2-CE2 4.04Å; W238-Y559 AromaticContact CZ2-CZ 3.72Å; W238-Y559 WeakPolarHBondContact CZ2-OH 3.15Å; A555-Y559 WeakPolarHBondContact O-CB 3.14Å; A555-Y559 PolarHBondContact O-N 3.15Å; V556-Y559 WeakPolarHBondContact O-CB 3.21Å; V556-Y559 PolarHBondContact O-N 2.87Å; V557-Y559 VanDerWaalsContact C-N 3.34Å; V557-Y559 PolarHBondContact O-N 2.95Å; Y559-I562 PolarHBondContact O-N 2.93Å; Y559-G563 PolarHBondContact O-N 3.46Å
560	C	98.5	Very high	98.2	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.3	-38.7	178.3	-63.5	0	0	0	0	112.3	A237 F352 L531 V556 V557 I558 G563 A564	A237-C560 HydrophobicContact CB-CB 4.3Å; F352-C560 HydrophobicContact CE1-CB 3.55Å; F352-C560 HydrophobicContact CZ-CB 3.69Å; L531-C560 VanDerWaalsContact CD2-SG 3.54Å; V556-C560 PolarHBondContact O-N 3.49Å; V556-C560 PolarHBondContact O-SG 3.06Å; V557-C560 PolarHBondContact O-N 2.9Å; I558-C560 PolarHBondContact O-N 2.96Å; C560-G563 PolarHBondContact O-N 3.48Å; C560-A564 VanDerWaalsContact O-CB 3.32Å; C560-A564 WeakPolarHBondContact O-CB 2.74Å; C560-A564 PolarHBondContact O-N 3.21Å
561	F	98.6	Very high	98.2	Very high	33 Å²	33	34.4 Å²	34.4	15%	0.145	19%	0.191	C	C	.	.	H	α-helix	trans	-61.1	-49.5	175.4	176.2	-97.3	0	0	0	111.4	L348 M349 F352 V557 I558 G563 A564 L565	L348-F561 HydrophobicContact CB-CE2 4.37Å; L348-F561 HydrophobicContact CD2-CD2 3.99Å; L348-F561 HydrophobicContact CD2-CE2 3.97Å; L348-F561 HydrophobicContact CG-CD2 4.03Å; L348-F561 HydrophobicContact CG-CE2 4.08Å; M349-F561 HydrophobicContact CB-CE2 4.03Å; M349-F561 HydrophobicContact CE-CD1 4.44Å; M349-F561 HydrophobicContact CE-CE1 3.67Å; M349-F561 HydrophobicContact CE-CE2 3.77Å; M349-F561 HydrophobicContact CE-CZ 3.29Å; M349-F561 HydrophobicContact SD-CD2 4.28Å; M349-F561 HydrophobicContact SD-CE1 4.48Å; M349-F561 HydrophobicContact SD-CE2 3.96Å; M349-F561 HydrophobicContact SD-CZ 4.07Å; F352-F561 HydrophobicContact CD2-CB 3.94Å; F352-F561 AromaticContact CD2-CD2 3.77Å; F352-F561 HydrophobicContact CD2-CD2 3.77Å; F352-F561 HydrophobicContact CD2-CG 4.37Å; F352-F561 HydrophobicContact CE2-CB 4.1Å; F352-F561 HydrophobicContact CE2-CD2 4.29Å; F352-F561 HydrophobicContact CG-CB 4.4Å; V557-F561 WeakPolarHBondContact O-CB 3.36Å; V557-F561 PolarHBondContact O-N 3.04Å; I558-F561 PolarHBondContact O-N 2.87Å; F561-G563 VanDerWaalsContact C-N 3.34Å; F561-G563 PolarHBondContact O-N 2.81Å; F561-A564 PolarHBondContact O-N 3.35Å; F561-A564 VanDerWaalsContact O-N 3.14Å; F561-L565 HydrophobicContact CE1-CD1 4.23Å; F561-L565 HydrophobicContact CE1-CD2 3.9Å; F561-L565 HydrophobicContact CE1-CG 4.26Å; F561-L565 HydrophobicContact CE2-CD2 4.34Å; F561-L565 HydrophobicContact CZ-CD2 3.75Å; F561-L565 WeakPolarHBondContact O-CG 3.41Å; F561-L565 PolarHBondContact O-N 3.11Å
562	I	98.5	Very high	98.2	Very high	101 Å²	101	29.7 Å²	29.7	52%	0.518	16%	0.162	S	C	.	.	H	α-helix	trans	-61.1	-44.1	177.9	-67.2	168.1	0	0	0	110.7	I558 Y559 A564 L565	I558-I562 HydrophobicContact CG2-CD1 3.79Å; I558-I562 HydrophobicContact CG2-CG1 4.42Å; I558-I562 VanDerWaalsContact O-CG1 3.31Å; I558-I562 WeakPolarHBondContact O-CG1 3.16Å; I558-I562 PolarHBondContact O-N 3.47Å; Y559-I562 PolarHBondContact O-N 2.93Å; I562-A564 PolarHBondContact O-N 3.3Å; I562-L565 PolarHBondContact O-N 3.37Å
563	G	98	Very high	98.1	Very high	15 Å²	15	29.5 Å²	29.5	16%	0.155	16%	0.161	C	C	.	.	H	α-helix	trans	-65	-24.6	177.2	0	0	0	0	0	114.1	Y559 C560 F561 P566	Y559-G563 PolarHBondContact O-N 3.46Å; C560-G563 PolarHBondContact O-N 3.48Å; F561-G563 VanDerWaalsContact C-N 3.34Å; F561-G563 PolarHBondContact O-N 2.81Å; G563-P566 WeakPolarHBondContact O-CD 3.01Å
564	A	98.4	Very high	97.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-82.8	-22.5	176.7	0	0	0	0	0	114	W238 L348 F352 C560 F561 I562 P566 S567	W238-A564 WeakPolarHBondContact O-CA 3.17Å; W238-A564 WeakPolarHBondContact O-CB 3.27Å; L348-A564 HydrophobicContact CD1-CB 4.33Å; L348-A564 HydrophobicContact CD2-CB 3.67Å; F352-A564 HydrophobicContact CE2-CB 4.2Å; C560-A564 VanDerWaalsContact O-CB 3.32Å; C560-A564 WeakPolarHBondContact O-CB 2.74Å; C560-A564 PolarHBondContact O-N 3.21Å; F561-A564 PolarHBondContact O-N 3.35Å; F561-A564 VanDerWaalsContact O-N 3.14Å; I562-A564 PolarHBondContact O-N 3.3Å; A564-P566 VanDerWaalsContact C-CD 3.43Å; A564-S567 WeakPolarHBondContact O-CB 3.1Å; A564-S567 PolarHBondContact O-N 3.45Å
565	L	98.4	Very high	97.8	Very high	39 Å²	39	27.3 Å²	27.3	20%	0.204	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-54.2	-38.5	-177.9	-69.4	177.2	0	0	0	115.1	I340 F561 I562 S567 T568	I340-L565 HydrophobicContact CD1-CB 4.35Å; F561-L565 HydrophobicContact CE1-CD1 4.23Å; F561-L565 HydrophobicContact CE1-CD2 3.9Å; F561-L565 HydrophobicContact CE1-CG 4.26Å; F561-L565 HydrophobicContact CE2-CD2 4.34Å; F561-L565 HydrophobicContact CZ-CD2 3.75Å; F561-L565 WeakPolarHBondContact O-CG 3.41Å; F561-L565 PolarHBondContact O-N 3.11Å; I562-L565 PolarHBondContact O-N 3.37Å; L565-S567 PolarHBondContact O-N 3.39Å; L565-T568 PolarHBondContact O-N 2.91Å; L565-T568 PolarHBondContact O-OG1 3.06Å
566	P	97.7	Very high	97.7	Very high	62 Å²	62	24.9 Å²	24.9	40%	0.403	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-56.7	-35.1	174.8	-28.2	37.9	0	0	0	113.3	G563 A564 T568 T569 G572 V575	G563-P566 WeakPolarHBondContact O-CD 3.01Å; A564-P566 VanDerWaalsContact C-CD 3.43Å; P566-T568 VanDerWaalsContact C-N 3.26Å; P566-T568 PolarHBondContact O-N 3.04Å; P566-T569 WeakPolarHBondContact O-CG2 3.3Å; P566-T569 PolarHBondContact O-N 2.97Å; P566-T569 PolarHBondContact O-OG1 3.25Å; P566-G572 WeakPolarHBondContact O-CA 3.44Å; P566-V575 HydrophobicContact CB-CG1 4.03Å
567	S	97.6	Very high	97.5	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-74.7	-13.5	178.2	-55.9	0	0	0	0	113.2	T242 A564 L565 G572	T242-S567 WeakPolarHBondContact CG2-O 3.08Å; T242-S567 WeakPolarHBondContact OG1-CB 3.13Å; A564-S567 WeakPolarHBondContact O-CB 3.1Å; A564-S567 PolarHBondContact O-N 3.45Å; L565-S567 PolarHBondContact O-N 3.39Å; S567-G572 CarbonylContact O-C 3.58Å; S567-G572 WeakPolarHBondContact O-CA 3.22Å
568	T	98.2	Very high	97.3	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.012	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-95	2.7	175.7	72.3	0	0	0	0	113.5	T242 R341 I344 S345 L348 L565 P566	T242-T568 HydrophobicContact CG2-CG2 4.24Å; R341-T568 WeakPolarHBondContact CB-O 3.4Å; R341-T568 WeakPolarHBondContact CG-O 3.43Å; R341-T568 PolarHBondContact N-O 3.48Å; I344-T568 HydrophobicContact CG2-CG2 4.02Å; S345-T568 PolarHBondContact OG-OG1 2.97Å; L348-T568 HydrophobicContact CD2-CG2 3.61Å; L565-T568 PolarHBondContact O-N 2.91Å; L565-T568 PolarHBondContact O-OG1 3.06Å; P566-T568 VanDerWaalsContact C-N 3.26Å; P566-T568 PolarHBondContact O-N 3.04Å
569	T	98.3	Very high	97.1	Very high	12 Å²	12	23 Å²	23	7%	0.074	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-68.7	166.8	173.3	59.7	0	0	0	0	112.1	V337 P339 I340 P566 G571 G572	V337-T569 HydrophobicContact CG2-CG2 4.03Å; V337-T569 WeakPolarHBondContact CG2-OG1 3.44Å; P339-T569 CarbonylContact O-C 3.56Å; P339-T569 VanDerWaalsContact O-CA 3.26Å; P339-T569 WeakPolarHBondContact O-CA 3.45Å; I340-T569 HydrophobicContact CG1-CG2 3.95Å; P566-T569 WeakPolarHBondContact O-CG2 3.3Å; P566-T569 PolarHBondContact O-N 2.97Å; P566-T569 PolarHBondContact O-OG1 3.25Å; T569-G571 PolarHBondContact O-N 3.21Å; T569-G572 WeakPolarHBondContact O-CA 3.45Å; T569-G572 PolarHBondContact O-N 3.47Å; T569-G572 WeakPolarHBondContact OG1-CA 3.21Å; T569-G572 PolarHBondContact OG1-N 3.3Å
570	C	98.1	Very high	96.8	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.007	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-40.3	176.7	-66.7	0	0	0	0	112.7	L326 Q327 I328 A331 V337 P339 R341 G572	L326-C570 WeakPolarHBondContact O-CA 3.49Å; Q327-C570 WeakPolarHBondContact O-CB 3.28Å; I328-C570 WeakPolarHBondContact CA-O 3.34Å; A331-C570 HydrophobicContact CB-CB 4.1Å; V337-C570 PolarHBondContact O-N 3.03Å; P339-C570 PolarHBondContact O-N 3.31Å; P339-C570 PolarHBondContact O-SG 2.8Å; R341-C570 WeakPolarHBondContact CD-SG 3.32Å; C570-G572 VanDerWaalsContact C-N 3.33Å
571	G	96.5	Very high	96.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	11.3	172.2	0	0	0	0	0	113.2	V337 T569 Y573 L574	V337-G571 WeakPolarHBondContact O-CA 3.39Å; V337-G571 PolarHBondContact O-N 3.25Å; T569-G571 PolarHBondContact O-N 3.21Å; G571-Y573 PolarHBondContact O-N 2.74Å; G571-Y573 VanDerWaalsContact O-N 3.13Å; G571-L574 WeakPolarHBondContact O-CB 3.43Å; G571-L574 PolarHBondContact O-N 2.9Å
572	G	96.8	Very high	96.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.2	-21.6	-176.1	0	0	0	0	0	113.4	P566 S567 T569 C570 L574 V575 L576	P566-G572 WeakPolarHBondContact O-CA 3.44Å; S567-G572 CarbonylContact O-C 3.58Å; S567-G572 WeakPolarHBondContact O-CA 3.22Å; T569-G572 WeakPolarHBondContact O-CA 3.45Å; T569-G572 PolarHBondContact O-N 3.47Å; T569-G572 WeakPolarHBondContact OG1-CA 3.21Å; T569-G572 PolarHBondContact OG1-N 3.3Å; C570-G572 VanDerWaalsContact C-N 3.33Å; G572-L574 VanDerWaalsContact C-N 3.27Å; G572-L574 PolarHBondContact O-N 3.02Å; G572-V575 PolarHBondContact O-N 2.8Å; G572-L576 WeakPolarHBondContact O-CB 3.37Å; G572-L576 PolarHBondContact O-N 3.46Å
573	Y	95.9	Very high	95.9	Very high	24 Å²	24	19.9 Å²	19.9	9%	0.094	11%	0.106	C	C	.	.	H	α-helix	trans	-55.7	-40.9	168.8	-176	-108.1	0	0	0	112.2	W246 F321 Y322 L326 P491 G571 L576 T577 V652 V654	W246-Y573 AromaticContact CH2-CD2 3.86Å; W246-Y573 HydrophobicContact CH2-CD2 3.86Å; W246-Y573 HydrophobicContact CZ3-CD2 4.48Å; F321-Y573 HydrophobicContact CE1-CD2 4.25Å; F321-Y573 HydrophobicContact CE1-CE2 4.16Å; F321-Y573 HydrophobicContact CZ-CD2 4.37Å; F321-Y573 HydrophobicContact CZ-CE2 4.44Å; Y322-Y573 HydrophobicContact CE1-CD1 4.43Å; Y322-Y573 HydrophobicContact CE1-CE1 4.25Å; L326-Y573 HydrophobicContact CD1-CD2 4.17Å; L326-Y573 HydrophobicContact CD1-CG 4.09Å; P491-Y573 HydrophobicContact CB-CE2 4.4Å; P491-Y573 HydrophobicContact CG-CE2 4.32Å; G571-Y573 PolarHBondContact O-N 2.74Å; G571-Y573 VanDerWaalsContact O-N 3.13Å; Y573-L576 PolarHBondContact O-N 3.21Å; Y573-T577 WeakPolarHBondContact O-CB 3.43Å; Y573-T577 PolarHBondContact O-N 3.44Å; Y573-T577 PolarHBondContact O-OG1 2.95Å; Y573-V652 HydrophobicContact CD1-CG1 3.97Å; Y573-V652 HydrophobicContact CE1-CG1 3.51Å; Y573-V654 HydrophobicContact CD1-CG2 3.97Å; Y573-V654 HydrophobicContact CE1-CG2 3.93Å
574	L	95.5	Very high	95.6	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-66.4	-40.1	177.5	-58.6	179.2	0	0	0	111.9	Y334 G571 G572 M578 V652 Y659	Y334-L574 HydrophobicContact CD1-CB 4.07Å; Y334-L574 HydrophobicContact CD1-CD1 4.37Å; Y334-L574 HydrophobicContact CE1-CB 3.69Å; Y334-L574 HydrophobicContact CE1-CD1 4.47Å; Y334-L574 HydrophobicContact CE1-CG 4.49Å; Y334-L574 HydrophobicContact CG-CD1 4.39Å; G571-L574 WeakPolarHBondContact O-CB 3.43Å; G571-L574 PolarHBondContact O-N 2.9Å; G572-L574 VanDerWaalsContact C-N 3.27Å; G572-L574 PolarHBondContact O-N 3.02Å; L574-M578 WeakPolarHBondContact O-CB 3.46Å; L574-M578 PolarHBondContact O-N 2.95Å; L574-V652 HydrophobicContact CD2-CB 3.87Å; L574-V652 HydrophobicContact CD2-CG1 3.82Å; L574-V652 HydrophobicContact CD2-CG2 4.3Å; L574-Y659 HydrophobicContact CD1-CD1 4.19Å; L574-Y659 HydrophobicContact CD1-CG 4.28Å; L574-Y659 HydrophobicContact CD2-CD2 4.17Å; L574-Y659 HydrophobicContact CD2-CG 4.09Å
575	V	96.2	Very high	95.2	Very high	24 Å²	24	20.7 Å²	20.7	15%	0.145	11%	0.109	C	C	.	.	H	α-helix	trans	-66.4	-45.2	176.9	-178.5	0	0	0	0	110.4	V337 P566 G572 M578 L579	V337-V575 HydrophobicContact CG1-CG2 4.04Å; P566-V575 HydrophobicContact CB-CG1 4.03Å; G572-V575 PolarHBondContact O-N 2.8Å; V575-M578 WeakPolarHBondContact O-CB 3.11Å; V575-M578 PolarHBondContact O-N 3.02Å; V575-L579 HydrophobicContact CG1-CD1 4.1Å; V575-L579 WeakPolarHBondContact O-CG 3.39Å; V575-L579 PolarHBondContact O-N 2.98Å
576	L	96	Very high	94.8	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-60.1	-49	176.8	178.4	145	0	0	0	111.2	Y239 T242 I243 W246 P491 G572 Y573 M578 L579 D580	Y239-L576 HydrophobicContact CD2-CG 4.42Å; T242-L576 HydrophobicContact CG2-CD1 4.02Å; I243-L576 HydrophobicContact CG1-CD1 3.86Å; W246-L576 HydrophobicContact CH2-CD1 3.45Å; W246-L576 VanDerWaalsContact CH2-CD1 3.45Å; W246-L576 HydrophobicContact CH2-CD2 4.1Å; W246-L576 HydrophobicContact CH2-CG 4.26Å; W246-L576 HydrophobicContact CZ2-CD1 3.94Å; W246-L576 HydrophobicContact CZ3-CD1 3.97Å; W246-L576 HydrophobicContact CZ3-CD2 4.44Å; P491-L576 HydrophobicContact CG-CD2 4.44Å; G572-L576 WeakPolarHBondContact O-CB 3.37Å; G572-L576 PolarHBondContact O-N 3.46Å; Y573-L576 PolarHBondContact O-N 3.21Å; L576-M578 VanDerWaalsContact C-N 3.28Å; L576-M578 PolarHBondContact O-N 3.36Å; L576-L579 PolarHBondContact O-N 2.91Å; L576-D580 WeakPolarHBondContact O-CB 3.49Å; L576-D580 PolarHBondContact O-N 2.93Å
577	T	93.8	Very high	94.7	Very high	35 Å²	35	16.4 Å²	16.4	22%	0.215	8%	0.083	C	C	.	.	H	α-helix	trans	-62.4	-36.7	177.7	-59.4	0	0	0	0	111.8	Y573 R581 V652	Y573-T577 WeakPolarHBondContact O-CB 3.43Å; Y573-T577 PolarHBondContact O-N 3.44Å; Y573-T577 PolarHBondContact O-OG1 2.95Å; T577-R581 VanDerWaalsContact O-CB 3.27Å; T577-R581 WeakPolarHBondContact O-CB 3.45Å; T577-R581 PolarHBondContact O-N 3.44Å; T577-R581 VanDerWaalsContact O-N 3.09Å; T577-V652 HydrophobicContact CG2-CG2 3.88Å
578	M	94.2	Very high	94.5	Very high	20 Å²	20	16.5 Å²	16.5	10%	0.099	8%	0.083	C	C	.	.	H	α-helix	trans	-63.4	-47.5	174.7	-175.6	-173	66.5	0	0	111.5	L574 V575 L576 H582 V665 L668 S669 I672	L574-M578 WeakPolarHBondContact O-CB 3.46Å; L574-M578 PolarHBondContact O-N 2.95Å; V575-M578 WeakPolarHBondContact O-CB 3.11Å; V575-M578 PolarHBondContact O-N 3.02Å; L576-M578 VanDerWaalsContact C-N 3.28Å; L576-M578 PolarHBondContact O-N 3.36Å; M578-H582 WeakPolarHBondContact O-CB 3.47Å; M578-H582 PolarHBondContact O-N 3.48Å; M578-H582 PolarHBondContact O-ND1 2.67Å; M578-V665 HydrophobicContact SD-CG1 4.19Å; M578-L668 HydrophobicContact CE-CD2 3.94Å; M578-L668 HydrophobicContact CE-CG 4.41Å; M578-L668 HydrophobicContact SD-CD2 4.1Å; M578-L668 HydrophobicContact SD-CG 4.35Å; M578-S669 WeakPolarHBondContact CG-OG 3.4Å; M578-I672 HydrophobicContact CE-CD1 3.7Å; M578-I672 HydrophobicContact SD-CD1 4.32Å
579	L	95.2	Very high	94.3	Very high	11 Å²	11	16.6 Å²	16.6	6%	0.058	8%	0.083	C	C	.	.	H	α-helix	trans	-66.6	-43.1	179.2	-72.1	172.6	0	0	0	112.4	Y235 Y239 V575 L576 R581 H582 G583 I672	Y235-L579 HydrophobicContact CD1-CD2 3.93Å; Y235-L579 HydrophobicContact CE1-CD2 4.4Å; Y239-L579 HydrophobicContact CD1-CB 4.02Å; Y239-L579 HydrophobicContact CG-CB 4.24Å; V575-L579 HydrophobicContact CG1-CD1 4.1Å; V575-L579 WeakPolarHBondContact O-CG 3.39Å; V575-L579 PolarHBondContact O-N 2.98Å; L576-L579 PolarHBondContact O-N 2.91Å; L579-R581 VanDerWaalsContact C-N 3.32Å; L579-R581 PolarHBondContact O-N 2.9Å; L579-H582 PolarHBondContact O-N 3.19Å; L579-G583 VanDerWaalsContact O-CA 3.3Å; L579-G583 WeakPolarHBondContact O-CA 3.45Å; L579-G583 PolarHBondContact O-N 3.29Å; L579-I672 HydrophobicContact CD2-CD1 4.21Å
580	D	92.3	Very high	94.1	Very high	64 Å²	64	18.6 Å²	18.6	34%	0.342	9%	0.091	S	C	.	.	H	α-helix	trans	-62.1	-40.6	178.2	-176.7	52.7	0	0	0	111.3	Y239 L576 P585	Y239-D580 HydrophobicContact CD2-CB 3.97Å; Y239-D580 HydrophobicContact CE2-CB 3.7Å; Y239-D580 WeakPolarHBondContact CE2-OD1 3.43Å; Y239-D580 HydrophobicContact CG-CB 4.49Å; Y239-D580 PolarHBondContact OH-OD1 3.4Å; L576-D580 WeakPolarHBondContact O-CB 3.49Å; L576-D580 PolarHBondContact O-N 2.93Å; D580-P585 WeakPolarHBondContact O-CD 3.2Å; D580-P585 WeakPolarHBondContact O-CG 3.37Å
581	R	91.2	Very high	94	Very high	96 Å²	96	18.5 Å²	18.5	36%	0.362	9%	0.091	S	C	.	.	H	α-helix	trans	-75.1	-35.2	179.8	-173.8	175.9	-177.1	106	2.5	113.9	T577 L579 E648	T577-R581 VanDerWaalsContact O-CB 3.27Å; T577-R581 WeakPolarHBondContact O-CB 3.45Å; T577-R581 PolarHBondContact O-N 3.44Å; T577-R581 VanDerWaalsContact O-N 3.09Å; L579-R581 VanDerWaalsContact C-N 3.32Å; L579-R581 PolarHBondContact O-N 2.9Å; R581-E648 PolarHBondContact NH2-O 3.07Å
582	H	93.4	Very high	93.9	Very high	9 Å²	9	18.7 Å²	18.7	4%	0.042	9%	0.092	C	C	.	.	H	α-helix	trans	-118.2	-20.3	-166.8	-59	96.3	0	0	0	115	M578 L579 Y647 I672 V673	M578-H582 WeakPolarHBondContact O-CB 3.47Å; M578-H582 PolarHBondContact O-N 3.48Å; M578-H582 PolarHBondContact O-ND1 2.67Å; L579-H582 PolarHBondContact O-N 3.19Å; H582-Y647 AromaticContact NE2-CE2 3.49Å; H582-Y647 WeakPolarHBondContact NE2-CE2 3.38Å; H582-Y647 AromaticContact NE2-CZ 3.55Å; H582-Y647 PolarHBondContact NE2-OH 3.46Å; H582-I672 HydrophobicContact CB-CG2 4.28Å; H582-V673 HydrophobicContact CB-CG2 3.85Å; H582-V673 WeakPolarHBondContact O-CG2 3.2Å
583	G	92.3	Very high	93.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-43.5	-173.3	0	0	0	0	0	113.9	Y235 L579	Y235-G583 WeakPolarHBondContact CD2-O 3.42Å; L579-G583 VanDerWaalsContact O-CA 3.3Å; L579-G583 WeakPolarHBondContact O-CA 3.45Å; L579-G583 PolarHBondContact O-N 3.29Å
584	A	91.7	Very high	94	Very high	2 Å²	2	19.5 Å²	19.5	2%	0.017	10%	0.097	C	C	.	.	S	Bend	trans	-116.9	-49.2	-175.5	0	0	0	0	0	113.5	I232 I586 S587 I588	I232-A584 HydrophobicContact CG2-CB 3.75Å; A584-I586 PolarHBondContact O-N 3.5Å; A584-S587 PolarHBondContact O-N 3.3Å; A584-I588 HydrophobicContact CB-CD1 3.88Å; A584-I588 HydrophobicContact CB-CG1 4.44Å; A584-I588 WeakPolarHBondContact O-CB 3.48Å; A584-I588 VanDerWaalsContact O-CG1 3.27Å; A584-I588 WeakPolarHBondContact O-CG1 3.43Å; A584-I588 PolarHBondContact O-N 3.47Å
585	P	89.6	Confident	94.1	Very high	30 Å²	30	19.5 Å²	19.5	20%	0.195	10%	0.097	C	C	.	.	H	α-helix	trans	-58.6	-50.4	-161.1	-29.9	37.4	0	0	0	115.7	F424 D580	F424-P585 HydrophobicContact CE1-CB 4.09Å; F424-P585 HydrophobicContact CE2-CB 4.17Å; F424-P585 HydrophobicContact CZ-CB 3.6Å; F424-P585 HydrophobicContact CZ-CG 4.44Å; F424-P585 WeakPolarHBondContact CZ-O 3.41Å; D580-P585 WeakPolarHBondContact O-CD 3.2Å; D580-P585 WeakPolarHBondContact O-CG 3.37Å
586	I	91.1	Very high	94.2	Very high	10 Å²	10	18.4 Å²	18.4	5%	0.051	9%	0.09	C	C	.	.	H	α-helix	trans	-68.6	-42.2	-177.5	-61.3	174	0	0	0	110.7	A584 F640 Y647 V673	A584-I586 PolarHBondContact O-N 3.5Å; I586-F640 HydrophobicContact CG2-CD2 4.24Å; I586-F640 HydrophobicContact CG2-CE2 3.9Å; I586-Y647 HydrophobicContact CD1-CD2 4.43Å; I586-V673 HydrophobicContact CB-CG1 4.08Å; I586-V673 HydrophobicContact CD1-CG2 4.09Å; I586-V673 HydrophobicContact CG2-CG1 3.76Å
587	S	94.1	Very high	94.3	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.007	9%	0.093	C	C	.	.	H	α-helix	trans	-71.6	-36.5	-174.3	-50.2	0	0	0	0	112.9	A584 L589 F590 I591 V673 S676	A584-S587 PolarHBondContact O-N 3.3Å; S587-L589 VanDerWaalsContact C-N 3.31Å; S587-L589 PolarHBondContact O-N 3.43Å; S587-F590 PolarHBondContact O-N 2.67Å; S587-I591 WeakPolarHBondContact O-CG1 3.46Å; S587-I591 PolarHBondContact O-N 3.23Å; S587-V673 PolarHBondContact OG-O 3.48Å; S587-S676 WeakPolarHBondContact CB-OG 3.42Å; S587-S676 PolarHBondContact OG-OG 3.34Å
588	I	93.9	Very high	94.5	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.015	8%	0.083	C	C	.	.	H	α-helix	trans	-57.5	-45	177.2	-75	178	0	0	0	110.8	I232 F424 F430 A584 F590 I591 V592	I232-I588 HydrophobicContact CD1-CB 4.49Å; I232-I588 HydrophobicContact CD1-CG1 3.62Å; I232-I588 HydrophobicContact CG2-CD1 3.67Å; I232-I588 HydrophobicContact CG2-CG1 3.62Å; F424-I588 HydrophobicContact CD1-CD1 4.34Å; F424-I588 HydrophobicContact CE1-CB 4.16Å; F424-I588 HydrophobicContact CE1-CD1 3.99Å; F424-I588 HydrophobicContact CE1-CG2 4.21Å; F430-I588 HydrophobicContact CD1-CD1 3.94Å; F430-I588 HydrophobicContact CD2-CD1 3.84Å; F430-I588 HydrophobicContact CE1-CD1 3.43Å; F430-I588 VanDerWaalsContact CE1-CD1 3.43Å; F430-I588 HydrophobicContact CE2-CD1 3.35Å; F430-I588 HydrophobicContact CG-CD1 4.14Å; F430-I588 HydrophobicContact CZ-CD1 3.13Å; A584-I588 HydrophobicContact CB-CD1 3.88Å; A584-I588 HydrophobicContact CB-CG1 4.44Å; A584-I588 WeakPolarHBondContact O-CB 3.48Å; A584-I588 VanDerWaalsContact O-CG1 3.27Å; A584-I588 WeakPolarHBondContact O-CG1 3.43Å; A584-I588 PolarHBondContact O-N 3.47Å; I588-F590 VanDerWaalsContact C-N 3.27Å; I588-F590 PolarHBondContact O-N 2.96Å; I588-I591 PolarHBondContact O-N 3.44Å; I588-I591 VanDerWaalsContact O-N 3.1Å; I588-V592 HydrophobicContact CG2-CG2 3.92Å; I588-V592 VanDerWaalsContact O-CG2 3.3Å; I588-V592 WeakPolarHBondContact O-CG2 3.26Å; I588-V592 PolarHBondContact O-N 3.16Å
589	L	93.3	Very high	94.6	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.016	8%	0.078	C	C	.	.	H	α-helix	trans	-56.8	-43	-178.6	-64	168.5	0	0	0	112	S587 F593 L636 I639 F640	S587-L589 VanDerWaalsContact C-N 3.31Å; S587-L589 PolarHBondContact O-N 3.43Å; L589-F593 WeakPolarHBondContact O-CB 3.34Å; L589-F593 PolarHBondContact O-N 2.82Å; L589-F593 VanDerWaalsContact O-N 3.14Å; L589-L636 HydrophobicContact CD2-CD2 4.08Å; L589-I639 HydrophobicContact CD1-CG2 3.72Å; L589-I639 HydrophobicContact CD2-CG2 4.05Å; L589-F640 HydrophobicContact CB-CB 4.08Å; L589-F640 HydrophobicContact CB-CD2 4.28Å
590	F	94.4	Very high	94.8	Very high	54 Å²	54	16 Å²	16	24%	0.237	8%	0.077	C	C	.	.	H	α-helix	trans	-71.3	-39	176.9	-176.6	-103.4	0	0	0	112.8	S587 I588 F593 C594 F640 P677 I680	S587-F590 PolarHBondContact O-N 2.67Å; I588-F590 VanDerWaalsContact C-N 3.27Å; I588-F590 PolarHBondContact O-N 2.96Å; F590-F593 HydrophobicContact CD2-CD1 4.39Å; F590-F593 HydrophobicContact CE2-CD1 4.37Å; F590-F593 WeakPolarHBondContact O-CB 3.4Å; F590-F593 PolarHBondContact O-N 3.44Å; F590-C594 PolarHBondContact O-N 3.06Å; F590-C594 PolarHBondContact O-SG 2.96Å; F590-C594 VanDerWaalsContact O-SG 3.34Å; F590-F640 HydrophobicContact CB-CD2 3.97Å; F590-F640 HydrophobicContact CB-CE1 4.45Å; F590-F640 HydrophobicContact CB-CE2 3.71Å; F590-F640 HydrophobicContact CB-CG 4.44Å; F590-F640 HydrophobicContact CB-CZ 3.95Å; F590-F640 HydrophobicContact CD2-CD1 4.31Å; F590-F640 AromaticContact CD2-CE1 3.86Å; F590-F640 HydrophobicContact CD2-CE1 3.86Å; F590-F640 AromaticContact CD2-CZ 3.99Å; F590-F640 HydrophobicContact CD2-CZ 3.99Å; F590-F640 HydrophobicContact CG-CE1 4.48Å; F590-F640 HydrophobicContact CG-CE2 4.43Å; F590-F640 HydrophobicContact CG-CZ 4.17Å; F590-P677 HydrophobicContact CD1-CB 3.58Å; F590-P677 HydrophobicContact CE1-CB 4.04Å; F590-I680 HydrophobicContact CD1-CD1 4.22Å; F590-I680 HydrophobicContact CE1-CD1 3.91Å
591	I	96.1	Very high	95	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.5	-51.2	177.3	-73.1	-168.7	0	0	0	110.4	V225 G228 I229 I232 S587 I588 F593 C594 E595 I680	V225-I591 HydrophobicContact CG1-CG2 4.07Å; G228-I591 VanDerWaalsContact C-CD1 3.44Å; I229-I591 HydrophobicContact CD1-CG2 4.26Å; I229-I591 HydrophobicContact CG1-CG2 3.74Å; I232-I591 HydrophobicContact CD1-CD1 3.45Å; I232-I591 VanDerWaalsContact CD1-CD1 3.45Å; I232-I591 HydrophobicContact CD1-CG1 4.32Å; I232-I591 HydrophobicContact CG1-CD1 4.4Å; S587-I591 WeakPolarHBondContact O-CG1 3.46Å; S587-I591 PolarHBondContact O-N 3.23Å; I588-I591 PolarHBondContact O-N 3.44Å; I588-I591 VanDerWaalsContact O-N 3.1Å; I591-F593 VanDerWaalsContact C-N 3.27Å; I591-F593 PolarHBondContact O-N 3.28Å; I591-C594 CarbonylContact O-C 3.58Å; I591-C594 WeakPolarHBondContact O-CA 3.33Å; I591-C594 VanDerWaalsContact O-CB 3.31Å; I591-C594 WeakPolarHBondContact O-CB 3.27Å; I591-C594 PolarHBondContact O-N 3.48Å; I591-E595 HydrophobicContact CG2-CG 4.4Å; I591-E595 WeakPolarHBondContact O-CG 3.41Å; I591-E595 PolarHBondContact O-N 3.49Å; I591-I680 HydrophobicContact CG1-CD1 4.43Å
592	V	96.1	Very high	95.3	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.024	9%	0.085	C	C	.	.	H	α-helix	trans	-63.7	-35.2	-179.9	-174.8	0	0	0	0	111.4	L196 I588 C594 E595 C596 L636	L196-V592 HydrophobicContact CD1-CG1 3.73Å; I588-V592 HydrophobicContact CG2-CG2 3.92Å; I588-V592 VanDerWaalsContact O-CG2 3.3Å; I588-V592 WeakPolarHBondContact O-CG2 3.26Å; I588-V592 PolarHBondContact O-N 3.16Å; V592-C594 VanDerWaalsContact C-N 3.33Å; V592-C594 PolarHBondContact O-N 3.04Å; V592-E595 WeakPolarHBondContact O-CB 3.37Å; V592-E595 PolarHBondContact O-N 3.28Å; V592-C596 PolarHBondContact O-N 3.33Å; V592-C596 PolarHBondContact O-SG 2.96Å; V592-L636 HydrophobicContact CB-CD1 3.91Å; V592-L636 HydrophobicContact CB-CD2 4.28Å; V592-L636 HydrophobicContact CG1-CD1 3.48Å; V592-L636 VanDerWaalsContact CG1-CD1 3.48Å; V592-L636 HydrophobicContact CG1-CD2 4.29Å
593	F	96.1	Very high	95.4	Very high	35 Å²	35	18.8 Å²	18.8	15%	0.154	9%	0.085	C	C	.	.	H	α-helix	trans	-57.8	-48	169.8	166	-102.9	0	0	0	110.9	L589 F590 I591 E595 C596 V597 P633 L636 L637	L589-F593 WeakPolarHBondContact O-CB 3.34Å; L589-F593 PolarHBondContact O-N 2.82Å; L589-F593 VanDerWaalsContact O-N 3.14Å; F590-F593 HydrophobicContact CD2-CD1 4.39Å; F590-F593 HydrophobicContact CE2-CD1 4.37Å; F590-F593 WeakPolarHBondContact O-CB 3.4Å; F590-F593 PolarHBondContact O-N 3.44Å; I591-F593 VanDerWaalsContact C-N 3.27Å; I591-F593 PolarHBondContact O-N 3.28Å; F593-E595 VanDerWaalsContact C-N 3.33Å; F593-E595 PolarHBondContact O-N 2.97Å; F593-C596 WeakPolarHBondContact O-CB 3.37Å; F593-C596 PolarHBondContact O-N 3Å; F593-V597 HydrophobicContact CD2-CG2 4.32Å; F593-V597 HydrophobicContact CE1-CG2 4.09Å; F593-V597 HydrophobicContact CE2-CG2 3.84Å; F593-V597 HydrophobicContact CZ-CG2 3.72Å; F593-V597 WeakPolarHBondContact O-CG2 3.46Å; F593-V597 PolarHBondContact O-N 3.07Å; F593-P633 HydrophobicContact CD2-CB 3.88Å; F593-P633 WeakPolarHBondContact CD2-O 3.42Å; F593-P633 HydrophobicContact CE2-CB 4.16Å; F593-L636 HydrophobicContact CB-CB 4.14Å; F593-L637 HydrophobicContact CD2-CB 4.04Å; F593-L637 HydrophobicContact CE2-CB 4.13Å; F593-L637 HydrophobicContact CE2-CD2 4.19Å; F593-L637 HydrophobicContact CZ-CD2 4.3Å
594	C	97.7	Very high	95.6	Very high	5 Å²	5	19.8 Å²	19.8	3%	0.034	10%	0.095	C	C	.	.	H	α-helix	trans	-64.4	-33.7	177.1	-72.2	0	0	0	0	113	F222 V225 F590 I591 V592 V597 A598 I680	F222-C594 HydrophobicContact CD1-CB 4.2Å; F222-C594 HydrophobicContact CE1-CB 4.17Å; V225-C594 HydrophobicContact CG2-CB 3.96Å; F590-C594 PolarHBondContact O-N 3.06Å; F590-C594 PolarHBondContact O-SG 2.96Å; F590-C594 VanDerWaalsContact O-SG 3.34Å; I591-C594 CarbonylContact O-C 3.58Å; I591-C594 WeakPolarHBondContact O-CA 3.33Å; I591-C594 VanDerWaalsContact O-CB 3.31Å; I591-C594 WeakPolarHBondContact O-CB 3.27Å; I591-C594 PolarHBondContact O-N 3.48Å; V592-C594 VanDerWaalsContact C-N 3.33Å; V592-C594 PolarHBondContact O-N 3.04Å; C594-V597 PolarHBondContact O-N 3.4Å; C594-A598 VanDerWaalsContact O-CB 3.22Å; C594-A598 WeakPolarHBondContact O-CB 3.42Å; C594-A598 PolarHBondContact O-N 3.01Å; C594-I680 HydrophobicContact CB-CD1 3.95Å
595	E	97.5	Very high	95.9	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.009	10%	0.101	C	C	.	.	H	α-helix	trans	-61.5	-47.4	172.8	-67.5	-170.6	151.3	0	0	111.6	W215 V225 I229 I591 V592 F593 V597 A598 L599	W215-E595 HydrophobicContact CH2-CB 3.44Å; W215-E595 VanDerWaalsContact CH2-CB 3.44Å; W215-E595 HydrophobicContact CH2-CG 3.67Å; W215-E595 HydrophobicContact CZ2-CB 3.57Å; W215-E595 HydrophobicContact CZ2-CG 3.25Å; W215-E595 WeakPolarHBondContact CZ2-OE1 3.18Å; W215-E595 HydrophobicContact CZ3-CB 4.26Å; W215-E595 HydrophobicContact CZ3-CG 4.48Å; W215-E595 PolarHBondContact NE1-OE1 3.44Å; V225-E595 HydrophobicContact CG1-CG 3.6Å; I229-E595 WeakPolarHBondContact CD1-OE1 3.44Å; I591-E595 HydrophobicContact CG2-CG 4.4Å; I591-E595 WeakPolarHBondContact O-CG 3.41Å; I591-E595 PolarHBondContact O-N 3.49Å; V592-E595 WeakPolarHBondContact O-CB 3.37Å; V592-E595 PolarHBondContact O-N 3.28Å; F593-E595 VanDerWaalsContact C-N 3.33Å; F593-E595 PolarHBondContact O-N 2.97Å; E595-V597 PolarHBondContact O-N 2.93Å; E595-A598 PolarHBondContact O-N 3Å; E595-L599 WeakPolarHBondContact O-CB 3.26Å; E595-L599 PolarHBondContact O-N 3.13Å
596	C	97.9	Very high	96.2	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	13%	0.127	C	C	.	.	H	α-helix	trans	-60.6	-45.8	176.4	-64.6	0	0	0	0	111.2	L196 V592 F593 C600 P633	L196-C596 WeakPolarHBondContact CD2-SG 3.15Å; V592-C596 PolarHBondContact O-N 3.33Å; V592-C596 PolarHBondContact O-SG 2.96Å; F593-C596 WeakPolarHBondContact O-CB 3.37Å; F593-C596 PolarHBondContact O-N 3Å; C596-C600 WeakPolarHBondContact O-CA 3.48Å; C596-C600 WeakPolarHBondContact O-CB 3.44Å; C596-C600 PolarHBondContact O-N 2.6Å; C596-P633 HydrophobicContact CB-CB 3.91Å; C596-P633 HydrophobicContact CB-CG 4.17Å
597	V	97.5	Very high	96.4	Very high	11 Å²	11	32.2 Å²	32.2	7%	0.067	15%	0.145	C	C	.	.	I	π-helix	trans	-61.4	-50.7	177.5	169	0	0	0	0	110.9	F222 F593 C594 E595 L599 W601 F602	F222-V597 HydrophobicContact CE1-CG1 4.28Å; F222-V597 HydrophobicContact CZ-CG1 3.83Å; F593-V597 HydrophobicContact CD2-CG2 4.32Å; F593-V597 HydrophobicContact CE1-CG2 4.09Å; F593-V597 HydrophobicContact CE2-CG2 3.84Å; F593-V597 HydrophobicContact CZ-CG2 3.72Å; F593-V597 WeakPolarHBondContact O-CG2 3.46Å; F593-V597 PolarHBondContact O-N 3.07Å; C594-V597 PolarHBondContact O-N 3.4Å; E595-V597 PolarHBondContact O-N 2.93Å; V597-L599 PolarHBondContact O-N 2.92Å; V597-W601 HydrophobicContact CB-CD2 4.49Å; V597-W601 HydrophobicContact CB-CE3 4.19Å; V597-W601 HydrophobicContact CG1-CD2 4.4Å; V597-W601 HydrophobicContact CG1-CE3 3.79Å; V597-W601 HydrophobicContact CG1-CZ3 4.31Å; V597-W601 HydrophobicContact CG2-CD2 4.21Å; V597-W601 HydrophobicContact CG2-CE3 3.78Å; V597-W601 HydrophobicContact CG2-CH2 4.02Å; V597-W601 HydrophobicContact CG2-CZ2 4.43Å; V597-W601 HydrophobicContact CG2-CZ3 3.69Å; V597-W601 WeakPolarHBondContact O-CB 3.48Å; V597-W601 PolarHBondContact O-N 3.12Å; V597-F602 HydrophobicContact CG1-CD2 3.96Å; V597-F602 HydrophobicContact CG1-CE2 3.61Å; V597-F602 WeakPolarHBondContact O-CD2 3.27Å; V597-F602 PolarHBondContact O-N 3.13Å
598	A	97.8	Very high	96.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.145	C	C	.	.	I	π-helix	trans	-60.6	-45	-179	0	0	0	0	0	112.1	W215 C219 F222 C594 E595 F602 Y603	W215-A598 HydrophobicContact CE3-CB 4.13Å; W215-A598 HydrophobicContact CZ3-CB 3.93Å; C219-A598 HydrophobicContact CB-CB 4.38Å; F222-A598 HydrophobicContact CB-CB 3.79Å; F222-A598 HydrophobicContact CD1-CB 4.03Å; F222-A598 HydrophobicContact CD2-CB 4.16Å; F222-A598 HydrophobicContact CG-CB 3.73Å; C594-A598 VanDerWaalsContact O-CB 3.22Å; C594-A598 WeakPolarHBondContact O-CB 3.42Å; C594-A598 PolarHBondContact O-N 3.01Å; E595-A598 PolarHBondContact O-N 3Å; A598-F602 WeakPolarHBondContact O-CB 2.97Å; A598-Y603 PolarHBondContact O-N 3.33Å
599	L	98.2	Very high	96.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.145	C	C	.	.	I	π-helix	trans	-79.2	-49.4	-177.4	-172.5	67.7	0	0	0	112.7	L199 L203 W215 I218 E595 V597 Y603 G604 F608	L199-L599 HydrophobicContact CD1-CD2 3.88Å; L199-L599 HydrophobicContact CD2-CD2 3.65Å; L199-L599 HydrophobicContact CG-CD2 3.67Å; L203-L599 HydrophobicContact CD1-CD1 3.84Å; L203-L599 HydrophobicContact CD2-CD1 4.36Å; L203-L599 HydrophobicContact CD2-CD2 4.2Å; W215-L599 HydrophobicContact CZ3-CB 4.34Å; I218-L599 HydrophobicContact CD1-CD1 4Å; I218-L599 HydrophobicContact CG1-CD1 4.45Å; I218-L599 HydrophobicContact CG2-CD1 3.91Å; E595-L599 WeakPolarHBondContact O-CB 3.26Å; E595-L599 PolarHBondContact O-N 3.13Å; V597-L599 PolarHBondContact O-N 2.92Å; L599-Y603 HydrophobicContact CD1-CD1 3.78Å; L599-Y603 HydrophobicContact CD1-CE1 4.43Å; L599-Y603 HydrophobicContact CD1-CG 4.18Å; L599-Y603 CarbonylContact O-C 3.56Å; L599-Y603 WeakPolarHBondContact O-CB 3.48Å; L599-G604 PolarHBondContact O-N 3.33Å; L599-F608 HydrophobicContact CD1-CD2 4.02Å; L599-F608 HydrophobicContact CD1-CE2 4.44Å; L599-F608 HydrophobicContact CD1-CG 4.31Å; L599-F608 HydrophobicContact CD2-CD1 4.01Å; L599-F608 HydrophobicContact CD2-CD2 4.15Å; L599-F608 HydrophobicContact CD2-CE1 3.91Å; L599-F608 HydrophobicContact CD2-CE2 4.06Å; L599-F608 HydrophobicContact CD2-CG 4.12Å; L599-F608 HydrophobicContact CD2-CZ 3.94Å; L599-F608 HydrophobicContact CG-CD2 4.42Å; L599-F608 HydrophobicContact CG-CG 4.3Å
600	C	97.9	Very high	96.8	Very high	6 Å²	6	34.8 Å²	34.8	4%	0.041	16%	0.158	C	C	.	.	I	π-helix	trans	-83.8	-35.7	-169.9	-62.2	0	0	0	0	112.7	C596 G604 T605 A629	C596-C600 WeakPolarHBondContact O-CA 3.48Å; C596-C600 WeakPolarHBondContact O-CB 3.44Å; C596-C600 PolarHBondContact O-N 2.6Å; C600-G604 CarbonylContact O-C 3.45Å; C600-G604 VanDerWaalsContact O-CA 3.3Å; C600-G604 WeakPolarHBondContact O-CA 3.28Å; C600-T605 PolarHBondContact O-N 2.78Å; C600-T605 PolarHBondContact O-OG1 3.25Å; C600-A629 HydrophobicContact CB-CB 4.34Å
601	W	97.5	Very high	96.7	Very high	132 Å²	132	32.5 Å²	32.5	50%	0.5	15%	0.148	S	C	.	.	I	π-helix	trans	-95.7	-40.1	-174.4	-55.6	-7	0	0	0	112.5	V597 A629	V597-W601 HydrophobicContact CB-CD2 4.49Å; V597-W601 HydrophobicContact CB-CE3 4.19Å; V597-W601 HydrophobicContact CG1-CD2 4.4Å; V597-W601 HydrophobicContact CG1-CE3 3.79Å; V597-W601 HydrophobicContact CG1-CZ3 4.31Å; V597-W601 HydrophobicContact CG2-CD2 4.21Å; V597-W601 HydrophobicContact CG2-CE3 3.78Å; V597-W601 HydrophobicContact CG2-CH2 4.02Å; V597-W601 HydrophobicContact CG2-CZ2 4.43Å; V597-W601 HydrophobicContact CG2-CZ3 3.69Å; V597-W601 WeakPolarHBondContact O-CB 3.48Å; V597-W601 PolarHBondContact O-N 3.12Å; W601-A629 PolarHBondContact NE1-O 3.48Å
602	F	96.4	Very high	96.7	Very high	83 Å²	83	32.5 Å²	32.5	36%	0.364	15%	0.148	S	C	.	.	I	π-helix	trans	-90.6	-56	179.7	-68.5	-81.8	0	0	0	113	F222 V597 A598 G604 I703	F222-F602 HydrophobicContact CD2-CD2 4.4Å; F222-F602 AromaticContact CE2-CD2 3.74Å; F222-F602 HydrophobicContact CE2-CD2 3.74Å; F222-F602 AromaticContact CE2-CE2 3.46Å; F222-F602 HydrophobicContact CE2-CE2 3.46Å; F222-F602 VanDerWaalsContact CE2-CE2 3.46Å; F222-F602 HydrophobicContact CE2-CZ 4.1Å; F222-F602 HydrophobicContact CZ-CD2 4.35Å; F222-F602 AromaticContact CZ-CE2 3.86Å; F222-F602 HydrophobicContact CZ-CE2 3.86Å; V597-F602 HydrophobicContact CG1-CD2 3.96Å; V597-F602 HydrophobicContact CG1-CE2 3.61Å; V597-F602 WeakPolarHBondContact O-CD2 3.27Å; V597-F602 PolarHBondContact O-N 3.13Å; A598-F602 WeakPolarHBondContact O-CB 2.97Å; F602-G604 VanDerWaalsContact C-N 3.3Å; F602-G604 PolarHBondContact O-N 3.03Å; F602-I703 HydrophobicContact CD1-CB 4.01Å; F602-I703 HydrophobicContact CD1-CG2 3.65Å; F602-I703 HydrophobicContact CE1-CG2 3.86Å
603	Y	96.1	Very high	96.6	Very high	13 Å²	13	36.1 Å²	36.1	5%	0.051	17%	0.165	C	C	.	.	I	π-helix	trans	-68.2	-33.8	175.9	-179.2	-92.2	0	0	0	112	I218 A598 L599 R607 F608 D611 P705	I218-Y603 HydrophobicContact CB-CD2 4.49Å; I218-Y603 HydrophobicContact CD1-CD1 4.39Å; I218-Y603 HydrophobicContact CD1-CD2 3.7Å; I218-Y603 HydrophobicContact CD1-CE1 4.36Å; I218-Y603 HydrophobicContact CD1-CE2 3.7Å; I218-Y603 HydrophobicContact CD1-CG 4.09Å; I218-Y603 HydrophobicContact CG2-CD2 4.12Å; I218-Y603 HydrophobicContact CG2-CG 4.05Å; A598-Y603 PolarHBondContact O-N 3.33Å; L599-Y603 HydrophobicContact CD1-CD1 3.78Å; L599-Y603 HydrophobicContact CD1-CE1 4.43Å; L599-Y603 HydrophobicContact CD1-CG 4.18Å; L599-Y603 CarbonylContact O-C 3.56Å; L599-Y603 WeakPolarHBondContact O-CB 3.48Å; Y603-R607 HydrophobicContact CD1-CB 4.4Å; Y603-R607 HydrophobicContact CD1-CG 4.35Å; Y603-R607 HydrophobicContact CE1-CB 4.08Å; Y603-R607 HydrophobicContact CE1-CG 3.66Å; Y603-R607 VanDerWaalsContact CE2-NE 3.34Å; Y603-R607 VanDerWaalsContact CZ-CD 3.48Å; Y603-R607 PolarHBondContact OH-NE 3.49Å; Y603-R607 VanDerWaalsContact OH-NE 3.08Å; Y603-F608 HydrophobicContact CD1-CB 4.26Å; Y603-F608 HydrophobicContact CE1-CB 4.18Å; Y603-D611 WeakPolarHBondContact CE1-OD2 3.12Å; Y603-D611 VanDerWaalsContact CZ-OD2 3.27Å; Y603-D611 PolarHBondContact OH-OD2 3.19Å; Y603-P705 HydrophobicContact CD2-CB 3.77Å; Y603-P705 HydrophobicContact CD2-CG 3.35Å; Y603-P705 HydrophobicContact CE2-CB 3.8Å; Y603-P705 HydrophobicContact CE2-CG 3.76Å; Y603-P705 HydrophobicContact CG-CG 4.39Å
604	G	97	Very high	96.3	Very high	21 Å²	21	36 Å²	36	22%	0.216	17%	0.165	C	C	.	.	I	π-helix	trans	98.5	124.2	167.9	0	0	0	0	0	113.3	L599 C600 F602 K606 R607 F608	L599-G604 PolarHBondContact O-N 3.33Å; C600-G604 CarbonylContact O-C 3.45Å; C600-G604 VanDerWaalsContact O-CA 3.3Å; C600-G604 WeakPolarHBondContact O-CA 3.28Å; F602-G604 VanDerWaalsContact C-N 3.3Å; F602-G604 PolarHBondContact O-N 3.03Å; G604-K606 VanDerWaalsContact C-N 3.27Å; G604-K606 PolarHBondContact O-N 2.73Å; G604-R607 WeakPolarHBondContact O-CB 3.38Å; G604-R607 PolarHBondContact O-N 2.98Å; G604-F608 PolarHBondContact O-N 2.82Å
605	T	97.3	Very high	96.1	Very high	23 Å²	23	35.8 Å²	35.8	14%	0.141	16%	0.164	C	C	.	.	H	α-helix	trans	-52.9	-41	179.9	-50.2	0	0	0	0	113.1	C600 R607 F608 C609 Q625	C600-T605 PolarHBondContact O-N 2.78Å; C600-T605 PolarHBondContact O-OG1 3.25Å; T605-R607 PolarHBondContact O-N 3.34Å; T605-F608 PolarHBondContact O-N 3.17Å; T605-C609 WeakPolarHBondContact O-CB 3.48Å; T605-C609 PolarHBondContact O-N 2.87Å; T605-C609 PolarHBondContact O-SG 3.35Å; T605-Q625 HydrophobicContact CG2-CB 3.97Å; T605-Q625 HydrophobicContact CG2-CG 3.99Å
606	K	96.1	Very high	95.9	Very high	171 Å²	171	37.1 Å²	37.1	74%	0.743	17%	0.171	S	C	*	.	H	α-helix	trans	-63.2	-41.9	179.6	-69.1	-178.1	-179.6	176.7	0	112.5	G604 C609 N610	G604-K606 VanDerWaalsContact C-N 3.27Å; G604-K606 PolarHBondContact O-N 2.73Å; K606-C609 PolarHBondContact O-N 2.95Å; K606-N610 VanDerWaalsContact O-CG 3.3Å; K606-N610 PolarHBondContact O-N 3.12Å; K606-N610 VanDerWaalsContact O-N 3.13Å
607	R	94.7	Very high	95.6	Very high	109 Å²	109	40 Å²	40	41%	0.411	20%	0.201	S	C	.	.	H	α-helix	trans	-64.4	-48.3	177.6	-176.2	177.6	174.5	159.5	-1.8	109.7	Y603 G604 T605 C609 N610 D611	Y603-R607 HydrophobicContact CD1-CB 4.4Å; Y603-R607 HydrophobicContact CD1-CG 4.35Å; Y603-R607 HydrophobicContact CE1-CB 4.08Å; Y603-R607 HydrophobicContact CE1-CG 3.66Å; Y603-R607 VanDerWaalsContact CE2-NE 3.34Å; Y603-R607 VanDerWaalsContact CZ-CD 3.48Å; Y603-R607 PolarHBondContact OH-NE 3.49Å; Y603-R607 VanDerWaalsContact OH-NE 3.08Å; G604-R607 WeakPolarHBondContact O-CB 3.38Å; G604-R607 PolarHBondContact O-N 2.98Å; T605-R607 PolarHBondContact O-N 3.34Å; R607-C609 VanDerWaalsContact C-N 3.34Å; R607-C609 PolarHBondContact O-N 3.28Å; R607-N610 WeakPolarHBondContact O-CB 3.38Å; R607-N610 PolarHBondContact O-N 2.66Å; R607-D611 VanDerWaalsContact O-CG 3.31Å; R607-D611 PolarHBondContact O-N 2.79Å
608	F	96.7	Very high	95.5	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-39.1	176.7	-172.9	-119.8	0	0	0	113	L199 A202 L203 L599 Y603 G604 T605 N610 D611 V612 W628	L199-F608 HydrophobicContact CG-CE1 4.2Å; A202-F608 HydrophobicContact CB-CZ 3.85Å; L203-F608 HydrophobicContact CB-CE2 4.11Å; L203-F608 HydrophobicContact CB-CZ 4.22Å; L203-F608 HydrophobicContact CD1-CE2 4.05Å; L599-F608 HydrophobicContact CD1-CD2 4.02Å; L599-F608 HydrophobicContact CD1-CE2 4.44Å; L599-F608 HydrophobicContact CD1-CG 4.31Å; L599-F608 HydrophobicContact CD2-CD1 4.01Å; L599-F608 HydrophobicContact CD2-CD2 4.15Å; L599-F608 HydrophobicContact CD2-CE1 3.91Å; L599-F608 HydrophobicContact CD2-CE2 4.06Å; L599-F608 HydrophobicContact CD2-CG 4.12Å; L599-F608 HydrophobicContact CD2-CZ 3.94Å; L599-F608 HydrophobicContact CG-CD2 4.42Å; L599-F608 HydrophobicContact CG-CG 4.3Å; Y603-F608 HydrophobicContact CD1-CB 4.26Å; Y603-F608 HydrophobicContact CE1-CB 4.18Å; G604-F608 PolarHBondContact O-N 2.82Å; T605-F608 PolarHBondContact O-N 3.17Å; F608-N610 VanDerWaalsContact C-N 3.28Å; F608-N610 PolarHBondContact O-N 3.44Å; F608-D611 WeakPolarHBondContact O-CB 3.5Å; F608-D611 PolarHBondContact O-N 3.17Å; F608-D611 VanDerWaalsContact O-N 3.16Å; F608-V612 HydrophobicContact CE1-CG2 4.21Å; F608-V612 HydrophobicContact CE2-CG2 4.43Å; F608-V612 HydrophobicContact CZ-CG2 4.17Å; F608-V612 WeakPolarHBondContact O-CG2 3.38Å; F608-V612 PolarHBondContact O-N 3.49Å; F608-W628 HydrophobicContact CD1-CE3 4.2Å; F608-W628 HydrophobicContact CD1-CH2 4.45Å; F608-W628 AromaticContact CD1-CZ3 3.87Å; F608-W628 HydrophobicContact CD1-CZ3 3.87Å; F608-W628 HydrophobicContact CE1-CE3 4.26Å; F608-W628 AromaticContact CE1-CH2 3.96Å; F608-W628 HydrophobicContact CE1-CH2 3.96Å; F608-W628 AromaticContact CE1-CZ3 3.81Å; F608-W628 HydrophobicContact CE1-CZ3 3.81Å
609	C	97.8	Very high	95.4	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.02	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-34.4	173.9	-71.3	0	0	0	0	113.2	T605 K606 R607 Q613 P620 Q625	T605-C609 WeakPolarHBondContact O-CB 3.48Å; T605-C609 PolarHBondContact O-N 2.87Å; T605-C609 PolarHBondContact O-SG 3.35Å; K606-C609 PolarHBondContact O-N 2.95Å; R607-C609 VanDerWaalsContact C-N 3.34Å; R607-C609 PolarHBondContact O-N 3.28Å; C609-Q613 PolarHBondContact O-N 3.2Å; C609-P620 HydrophobicContact CB-CG 4.42Å; C609-Q625 VanDerWaalsContact SG-CG 3.58Å
610	N	95.1	Very high	95.3	Very high	56 Å²	56	48.8 Å²	48.8	30%	0.299	24%	0.239	S	C	.	.	H	α-helix	trans	-69.6	-40	173.6	-65.4	-18.4	0	0	0	110.8	K606 R607 F608 V612 Q613 M614 K619	K606-N610 VanDerWaalsContact O-CG 3.3Å; K606-N610 PolarHBondContact O-N 3.12Å; K606-N610 VanDerWaalsContact O-N 3.13Å; R607-N610 WeakPolarHBondContact O-CB 3.38Å; R607-N610 PolarHBondContact O-N 2.66Å; F608-N610 VanDerWaalsContact C-N 3.28Å; F608-N610 PolarHBondContact O-N 3.44Å; N610-V612 VanDerWaalsContact C-N 3.31Å; N610-V612 PolarHBondContact O-N 3.24Å; N610-Q613 WeakPolarHBondContact O-CB 3.25Å; N610-Q613 PolarHBondContact O-N 3Å; N610-Q613 VanDerWaalsContact O-N 3.11Å; N610-M614 HydrophobicContact CB-CE 4.48Å; N610-M614 WeakPolarHBondContact O-CG 3.26Å; N610-M614 PolarHBondContact O-N 3.5Å; N610-K619 VanDerWaalsContact OD1-CE 3.28Å; N610-K619 WeakPolarHBondContact OD1-CE 3.27Å; N610-K619 PolarHBondContact OD1-NZ 3.39Å
611	D	93.5	Very high	95.3	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.032	26%	0.256	C	S	.	.	H	α-helix	trans	-58.3	-43.9	174.6	-63.3	-28.5	0	0	0	111.5	Y206 Y603 R607 F608 M614 M615	Y206-D611 HydrophobicContact CD1-CB 4.02Å; Y206-D611 HydrophobicContact CD2-CB 3.7Å; Y206-D611 HydrophobicContact CE1-CB 3.81Å; Y206-D611 VanDerWaalsContact CE1-CG 3.41Å; Y206-D611 HydrophobicContact CE2-CB 3.47Å; Y206-D611 VanDerWaalsContact CE2-CB 3.47Å; Y206-D611 HydrophobicContact CG-CB 3.96Å; Y206-D611 PolarHBondContact OH-OD1 2.97Å; Y603-D611 WeakPolarHBondContact CE1-OD2 3.12Å; Y603-D611 VanDerWaalsContact CZ-OD2 3.27Å; Y603-D611 PolarHBondContact OH-OD2 3.19Å; R607-D611 VanDerWaalsContact O-CG 3.31Å; R607-D611 PolarHBondContact O-N 2.79Å; F608-D611 WeakPolarHBondContact O-CB 3.5Å; F608-D611 PolarHBondContact O-N 3.17Å; F608-D611 VanDerWaalsContact O-N 3.16Å; D611-M614 WeakPolarHBondContact O-CB 3.49Å; D611-M614 PolarHBondContact O-N 3.36Å; D611-M615 PolarHBondContact O-N 3.47Å
612	V	95.6	Very high	95.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.4	-41.8	173.9	176.2	0	0	0	0	111.9	Y198 A202 F608 N610 M614 M615 L616 P620	Y198-V612 VanDerWaalsContact OH-CG1 3.23Å; Y198-V612 WeakPolarHBondContact OH-CG1 3.44Å; A202-V612 HydrophobicContact CB-CG2 3.98Å; F608-V612 HydrophobicContact CE1-CG2 4.21Å; F608-V612 HydrophobicContact CE2-CG2 4.43Å; F608-V612 HydrophobicContact CZ-CG2 4.17Å; F608-V612 WeakPolarHBondContact O-CG2 3.38Å; F608-V612 PolarHBondContact O-N 3.49Å; N610-V612 VanDerWaalsContact C-N 3.31Å; N610-V612 PolarHBondContact O-N 3.24Å; V612-M614 VanDerWaalsContact C-N 3.27Å; V612-M614 PolarHBondContact O-N 3.09Å; V612-M615 HydrophobicContact CB-CE 4.49Å; V612-M615 HydrophobicContact CG2-CE 4.22Å; V612-M615 PolarHBondContact O-N 3.09Å; V612-M615 VanDerWaalsContact O-N 3.15Å; V612-L616 HydrophobicContact CG1-CD1 3.76Å; V612-L616 HydrophobicContact CG1-CG 4.21Å; V612-L616 PolarHBondContact O-N 3.39Å; V612-P620 HydrophobicContact CB-CG 3.81Å; V612-P620 HydrophobicContact CG1-CG 3.67Å; V612-P620 HydrophobicContact CG2-CG 4.07Å
613	Q	95	Very high	95.4	Very high	80 Å²	80	49.2 Å²	49.2	37%	0.374	26%	0.259	S	S	.	.	H	α-helix	trans	-61.8	-36	176.2	-171.9	-175.7	17.8	0	0	112.3	C609 N610 M615 G617 F618 K619	C609-Q613 PolarHBondContact O-N 3.2Å; N610-Q613 WeakPolarHBondContact O-CB 3.25Å; N610-Q613 PolarHBondContact O-N 3Å; N610-Q613 VanDerWaalsContact O-N 3.11Å; Q613-M615 VanDerWaalsContact C-N 3.32Å; Q613-M615 PolarHBondContact O-N 2.85Å; Q613-G617 WeakPolarHBondContact O-CA 3.43Å; Q613-G617 PolarHBondContact O-N 3.02Å; Q613-F618 WeakPolarHBondContact CA-O 3.19Å; Q613-K619 HydrophobicContact CB-CG 3.83Å; Q613-K619 HydrophobicContact CG-CG 4.01Å
614	M	89	Confident	95.5	Very high	32 Å²	32	49.7 Å²	49.7	16%	0.158	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-38	175.4	-66.1	174.6	-157.7	0	0	111.9	Y206 F442 H443 N610 D611 V612 Y724	Y206-M614 HydrophobicContact CE2-SD 4.41Å; F442-M614 HydrophobicContact CE1-CB 4.47Å; F442-M614 HydrophobicContact CZ-CB 4.3Å; H443-M614 PolarHBondContact CE1-O 2.82Å; N610-M614 HydrophobicContact CB-CE 4.48Å; N610-M614 WeakPolarHBondContact O-CG 3.26Å; N610-M614 PolarHBondContact O-N 3.5Å; D611-M614 WeakPolarHBondContact O-CB 3.49Å; D611-M614 PolarHBondContact O-N 3.36Å; V612-M614 VanDerWaalsContact C-N 3.27Å; V612-M614 PolarHBondContact O-N 3.09Å; M614-Y724 WeakPolarHBondContact CE-O 3.49Å
615	M	92.5	Very high	95.5	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-75.3	-48.2	178.1	-69.1	-176.4	-66.5	0	0	112.7	A202 Q205 Y206 F442 H443 D611 V612 Q613	A202-M615 HydrophobicContact CB-CE 4.22Å; A202-M615 WeakPolarHBondContact O-CE 3.45Å; Q205-M615 HydrophobicContact CB-SD 4.01Å; Q205-M615 HydrophobicContact CG-SD 3.83Å; Y206-M615 VanDerWaalsContact CA-SD 3.54Å; Y206-M615 VanDerWaalsContact CB-SD 3.59Å; Y206-M615 HydrophobicContact CD2-CE 4.19Å; Y206-M615 HydrophobicContact CD2-CG 4.05Å; Y206-M615 HydrophobicContact CD2-SD 4.02Å; Y206-M615 HydrophobicContact CG-CE 4.38Å; Y206-M615 HydrophobicContact CG-SD 4.32Å; Y206-M615 PolarHBondContact N-SD 3.48Å; Y206-M615 VanDerWaalsContact N-SD 3.45Å; F442-M615 HydrophobicContact CD1-CG 4.41Å; F442-M615 HydrophobicContact CD2-CG 4.18Å; F442-M615 HydrophobicContact CE1-CB 4.38Å; F442-M615 HydrophobicContact CE1-CG 3.82Å; F442-M615 HydrophobicContact CE2-CG 3.58Å; F442-M615 HydrophobicContact CE2-SD 4.34Å; F442-M615 HydrophobicContact CZ-CB 4.32Å; F442-M615 HydrophobicContact CZ-CG 3.34Å; H443-M615 PolarHBondContact ND1-O 3.44Å; D611-M615 PolarHBondContact O-N 3.47Å; V612-M615 HydrophobicContact CB-CE 4.49Å; V612-M615 HydrophobicContact CG2-CE 4.22Å; V612-M615 PolarHBondContact O-N 3.09Å; V612-M615 VanDerWaalsContact O-N 3.15Å; Q613-M615 VanDerWaalsContact C-N 3.32Å; Q613-M615 PolarHBondContact O-N 2.85Å
616	L	93.7	Very high	95.6	Very high	29 Å²	29	53.7 Å²	53.7	15%	0.152	27%	0.274	C	S	.	.	H	α-helix	trans	-103.6	-12.6	-166.2	-58.2	-174.5	0	0	0	114.1	Y198 N444 V612 F618	Y198-L616 HydrophobicContact CE2-CD1 4.28Å; Y198-L616 WeakPolarHBondContact OH-CD1 3.46Å; N444-L616 WeakPolarHBondContact O-CD2 3.05Å; V612-L616 HydrophobicContact CG1-CD1 3.76Å; V612-L616 HydrophobicContact CG1-CG 4.21Å; V612-L616 PolarHBondContact O-N 3.39Å; L616-F618 VanDerWaalsContact C-N 3.26Å; L616-F618 HydrophobicContact CB-CD1 3.93Å; L616-F618 HydrophobicContact CB-CE1 3.61Å; L616-F618 HydrophobicContact CB-CE2 4.47Å; L616-F618 HydrophobicContact CB-CZ 3.91Å; L616-F618 HydrophobicContact CD1-CE1 4.22Å; L616-F618 HydrophobicContact CD1-CE2 4.11Å; L616-F618 HydrophobicContact CD1-CZ 3.67Å; L616-F618 HydrophobicContact CG-CZ 4.42Å; L616-F618 VanDerWaalsContact O-CD1 3.3Å; L616-F618 WeakPolarHBondContact O-CD1 3.29Å; L616-F618 PolarHBondContact O-N 3.24Å
617	G	91.8	Very high	95.7	Very high	62 Å²	62	45.6 Å²	45.6	64%	0.639	24%	0.239	S	C	*	.	S	Bend	trans	82.2	-6.4	-175.5	0	0	0	0	0	114.8	Q613	Q613-G617 WeakPolarHBondContact O-CA 3.43Å; Q613-G617 PolarHBondContact O-N 3.02Å
618	F	95	Very high	95.8	Very high	85 Å²	85	40.4 Å²	40.4	37%	0.373	22%	0.219	S	C	.	.	S	Bend	trans	-133.7	148.7	178.7	61.4	-94	0	0	0	111.9	Y447 Q613 L616	Y447-F618 HydrophobicContact CD1-CZ 4.26Å; Y447-F618 HydrophobicContact CG-CE2 4.4Å; Y447-F618 HydrophobicContact CG-CZ 4.02Å; Q613-F618 WeakPolarHBondContact CA-O 3.19Å; L616-F618 VanDerWaalsContact C-N 3.26Å; L616-F618 HydrophobicContact CB-CD1 3.93Å; L616-F618 HydrophobicContact CB-CE1 3.61Å; L616-F618 HydrophobicContact CB-CE2 4.47Å; L616-F618 HydrophobicContact CB-CZ 3.91Å; L616-F618 HydrophobicContact CD1-CE1 4.22Å; L616-F618 HydrophobicContact CD1-CE2 4.11Å; L616-F618 HydrophobicContact CD1-CZ 3.67Å; L616-F618 HydrophobicContact CG-CZ 4.42Å; L616-F618 VanDerWaalsContact O-CD1 3.3Å; L616-F618 WeakPolarHBondContact O-CD1 3.29Å; L616-F618 PolarHBondContact O-N 3.24Å
619	K	95.6	Very high	95.9	Very high	107 Å²	107	40.5 Å²	40.5	47%	0.465	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-79.3	142	174.9	-70	-170.4	-177.4	-162.2	0	110.5	N610 Q613 G621	N610-K619 VanDerWaalsContact OD1-CE 3.28Å; N610-K619 WeakPolarHBondContact OD1-CE 3.27Å; N610-K619 PolarHBondContact OD1-NZ 3.39Å; Q613-K619 HydrophobicContact CB-CG 3.83Å; Q613-K619 HydrophobicContact CG-CG 4.01Å; K619-G621 PolarHBondContact O-N 3.24Å
620	P	97.4	Very high	95.9	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.019	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-53.7	129.6	166.4	-24.9	34.2	0	0	0	110.9	C609 V612 W624 Q625 W628	C609-P620 HydrophobicContact CB-CG 4.42Å; V612-P620 HydrophobicContact CB-CG 3.81Å; V612-P620 HydrophobicContact CG1-CG 3.67Å; V612-P620 HydrophobicContact CG2-CG 4.07Å; P620-W624 HydrophobicContact CB-CB 4.06Å; P620-W624 HydrophobicContact CB-CG 4.45Å; P620-Q625 PolarHBondContact O-NE2 2.59Å; P620-W628 HydrophobicContact CB-CH2 3.9Å; P620-W628 HydrophobicContact CB-CZ3 3.86Å; P620-W628 HydrophobicContact CG-CH2 3.85Å; P620-W628 HydrophobicContact CG-CZ3 3.88Å
621	G	96.8	Very high	95.9	Very high	40 Å²	40	46.7 Å²	46.7	41%	0.412	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-63.9	170.6	175.6	0	0	0	0	0	113.6	K619 F623 W624 Q625	K619-G621 PolarHBondContact O-N 3.24Å; G621-F623 PolarHBondContact O-N 3Å; G621-W624 PolarHBondContact O-N 3.45Å; G621-Q625 PolarHBondContact O-N 3.13Å
622	I	97.7	Very high	95.9	Very high	121 Å²	121	46.4 Å²	46.4	62%	0.621	24%	0.242	S	C	*	.	H	α-helix	trans	-58.8	-34.1	-174.6	-165.3	65.6	0	0	0	113.3	W624 Q625 I626	I622-W624 PolarHBondContact O-N 2.79Å; I622-Q625 PolarHBondContact O-N 3.11Å; I622-I626 HydrophobicContact CD1-CD1 4.44Å; I622-I626 HydrophobicContact CD1-CG1 4.49Å; I622-I626 HydrophobicContact CG1-CD1 3.82Å; I622-I626 HydrophobicContact CG1-CG1 4.26Å; I622-I626 WeakPolarHBondContact O-CG1 3.27Å; I622-I626 PolarHBondContact O-N 2.84Å
623	F	98.3	Very high	95.9	Very high	69 Å²	69	46.5 Å²	46.5	30%	0.303	24%	0.242	S	C	.	.	H	α-helix	trans	-54.4	-54.8	176.2	169.8	-102	0	0	0	111.8	I190 F191 P195 G621 Q625 I626 C627	I190-F623 HydrophobicContact CG2-CE2 4.26Å; I190-F623 HydrophobicContact CG2-CZ 3.88Å; I190-F623 WeakPolarHBondContact O-CZ 3.36Å; F191-F623 AromaticContact CD1-CE2 3.96Å; F191-F623 HydrophobicContact CD1-CE2 3.96Å; F191-F623 AromaticContact CE1-CE2 3.86Å; F191-F623 HydrophobicContact CE1-CE2 3.86Å; P195-F623 HydrophobicContact CG-CE1 4.35Å; P195-F623 HydrophobicContact CG-CZ 4.44Å; G621-F623 PolarHBondContact O-N 3Å; F623-Q625 VanDerWaalsContact C-N 3.32Å; F623-Q625 PolarHBondContact O-N 3.22Å; F623-I626 PolarHBondContact O-N 2.91Å; F623-C627 PolarHBondContact O-N 3.5Å; F623-C627 PolarHBondContact O-SG 3.03Å; F623-C627 VanDerWaalsContact O-SG 3.33Å
624	W	98.2	Very high	95.8	Very high	24 Å²	24	48.1 Å²	48.1	9%	0.091	25%	0.252	C	S	.	.	H	α-helix	trans	-59.9	-43.5	179.8	-56.6	106.5	0	0	0	111.7	L194 P195 Y198 Y447 M451 P620 G621 I622 I626 C627 W628	L194-W624 HydrophobicContact CD1-CH2 4.1Å; L194-W624 HydrophobicContact CD1-CZ3 4.41Å; L194-W624 HydrophobicContact CD2-CH2 3.85Å; L194-W624 HydrophobicContact CD2-CZ3 4.4Å; L194-W624 HydrophobicContact CG-CH2 3.7Å; L194-W624 HydrophobicContact CG-CZ3 3.86Å; P195-W624 HydrophobicContact CB-CE3 4.15Å; P195-W624 HydrophobicContact CB-CZ3 4.28Å; P195-W624 HydrophobicContact CG-CE3 4.21Å; P195-W624 HydrophobicContact CG-CZ3 4.07Å; Y198-W624 AromaticContact CD1-CD2 3.93Å; Y198-W624 HydrophobicContact CD1-CD2 3.93Å; Y198-W624 AromaticContact CD1-CE3 3.81Å; Y198-W624 HydrophobicContact CD1-CE3 3.81Å; Y198-W624 HydrophobicContact CD1-CG 4.44Å; Y198-W624 HydrophobicContact CD1-CZ3 4.11Å; Y198-W624 HydrophobicContact CE1-CD2 4.27Å; Y198-W624 HydrophobicContact CE1-CG 4.41Å; Y447-W624 AromaticContact CE2-CE2 3.88Å; Y447-W624 HydrophobicContact CE2-CH2 4.43Å; Y447-W624 AromaticContact CE2-CZ2 3.57Å; Y447-W624 HydrophobicContact CE2-CZ2 3.57Å; Y447-W624 AromaticContact CE2-NE1 3.94Å; M451-W624 HydrophobicContact SD-CH2 3.98Å; M451-W624 HydrophobicContact SD-CZ2 4.19Å; P620-W624 HydrophobicContact CB-CB 4.06Å; P620-W624 HydrophobicContact CB-CG 4.45Å; G621-W624 PolarHBondContact O-N 3.45Å; I622-W624 PolarHBondContact O-N 2.79Å; W624-I626 PolarHBondContact O-N 3.48Å; W624-C627 PolarHBondContact O-N 2.99Å; W624-W628 HydrophobicContact CB-CD2 4.32Å; W624-W628 HydrophobicContact CB-CE3 4.38Å; W624-W628 HydrophobicContact CB-CH2 4.11Å; W624-W628 HydrophobicContact CB-CZ2 4.03Å; W624-W628 HydrophobicContact CB-CZ3 4.26Å; W624-W628 WeakPolarHBondContact O-CB 3.44Å; W624-W628 PolarHBondContact O-N 3.32Å
625	Q	98.4	Very high	95.8	Very high	54 Å²	54	50.3 Å²	50.3	25%	0.252	26%	0.261	S	S	.	.	H	α-helix	trans	-62.2	-43.3	-179.5	-63.8	-178.9	38.3	0	0	112.3	T605 C609 P620 G621 I622 F623 A629	T605-Q625 HydrophobicContact CG2-CB 3.97Å; T605-Q625 HydrophobicContact CG2-CG 3.99Å; C609-Q625 VanDerWaalsContact SG-CG 3.58Å; P620-Q625 PolarHBondContact O-NE2 2.59Å; G621-Q625 PolarHBondContact O-N 3.13Å; I622-Q625 PolarHBondContact O-N 3.11Å; F623-Q625 VanDerWaalsContact C-N 3.32Å; F623-Q625 PolarHBondContact O-N 3.22Å; Q625-A629 WeakPolarHBondContact O-CB 3.32Å; Q625-A629 PolarHBondContact O-N 3.02Å
626	I	98.3	Very high	95.8	Very high	73 Å²	73	50.3 Å²	50.3	37%	0.374	26%	0.261	S	S	.	.	H	α-helix	trans	-67.5	-41.9	177.5	-68.7	172.5	0	0	0	110.5	I622 F623 W624 Y630 I631	I622-I626 HydrophobicContact CD1-CD1 4.44Å; I622-I626 HydrophobicContact CD1-CG1 4.49Å; I622-I626 HydrophobicContact CG1-CD1 3.82Å; I622-I626 HydrophobicContact CG1-CG1 4.26Å; I622-I626 WeakPolarHBondContact O-CG1 3.27Å; I622-I626 PolarHBondContact O-N 2.84Å; F623-I626 PolarHBondContact O-N 2.91Å; W624-I626 PolarHBondContact O-N 3.48Å; I626-Y630 PolarHBondContact O-N 3.37Å; I626-I631 HydrophobicContact CG2-CD1 3.71Å; I626-I631 HydrophobicContact CG2-CG1 3.94Å; I626-I631 PolarHBondContact O-N 3.38Å
627	C	98.1	Very high	95.8	Very high	1 Å²	1	52 Å²	52	1%	0.007	27%	0.27	C	S	.	.	I	π-helix	trans	-60.7	-52.6	178.4	-69.2	0	0	0	0	111.5	P195 F623 W624 A629 I631 S632	P195-C627 HydrophobicContact CB-CB 3.62Å; P195-C627 HydrophobicContact CG-CB 3.71Å; F623-C627 PolarHBondContact O-N 3.5Å; F623-C627 PolarHBondContact O-SG 3.03Å; F623-C627 VanDerWaalsContact O-SG 3.33Å; W624-C627 PolarHBondContact O-N 2.99Å; C627-A629 PolarHBondContact O-N 2.84Å; C627-I631 PolarHBondContact O-N 2.97Å; C627-S632 WeakPolarHBondContact O-CB 3.08Å; C627-S632 PolarHBondContact O-N 3.3Å; C627-S632 PolarHBondContact O-OG 2.91Å; C627-S632 VanDerWaalsContact O-OG 3.08Å
628	W	98.1	Very high	95.7	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.259	C	S	.	.	I	π-helix	trans	-63.6	-42	-178.7	-59	-27.6	0	0	0	113.4	P195 Y198 L199 F608 P620 W624 P633	P195-W628 VanDerWaalsContact C-NE1 3.31Å; P195-W628 PolarHBondContact O-NE1 2.93Å; Y198-W628 AromaticContact CD1-CH2 3.94Å; Y198-W628 HydrophobicContact CD1-CH2 3.94Å; Y198-W628 AromaticContact CD1-CZ2 3.39Å; Y198-W628 HydrophobicContact CD1-CZ2 3.39Å; Y198-W628 AromaticContact CE1-CH2 3.73Å; Y198-W628 HydrophobicContact CE1-CH2 3.73Å; Y198-W628 AromaticContact CE1-CZ2 3.7Å; Y198-W628 HydrophobicContact CE1-CZ2 3.7Å; Y198-W628 HydrophobicContact CG-CZ2 4.1Å; L199-W628 HydrophobicContact CB-CD2 4.46Å; L199-W628 HydrophobicContact CB-CG 4.49Å; L199-W628 HydrophobicContact CB-CZ2 4.24Å; L199-W628 HydrophobicContact CD1-CB 3.8Å; L199-W628 HydrophobicContact CD1-CD2 3.99Å; L199-W628 HydrophobicContact CD1-CG 3.56Å; F608-W628 HydrophobicContact CD1-CE3 4.2Å; F608-W628 HydrophobicContact CD1-CH2 4.45Å; F608-W628 AromaticContact CD1-CZ3 3.87Å; F608-W628 HydrophobicContact CD1-CZ3 3.87Å; F608-W628 HydrophobicContact CE1-CE3 4.26Å; F608-W628 AromaticContact CE1-CH2 3.96Å; F608-W628 HydrophobicContact CE1-CH2 3.96Å; F608-W628 AromaticContact CE1-CZ3 3.81Å; F608-W628 HydrophobicContact CE1-CZ3 3.81Å; P620-W628 HydrophobicContact CB-CH2 3.9Å; P620-W628 HydrophobicContact CB-CZ3 3.86Å; P620-W628 HydrophobicContact CG-CH2 3.85Å; P620-W628 HydrophobicContact CG-CZ3 3.88Å; W624-W628 HydrophobicContact CB-CD2 4.32Å; W624-W628 HydrophobicContact CB-CE3 4.38Å; W624-W628 HydrophobicContact CB-CH2 4.11Å; W624-W628 HydrophobicContact CB-CZ2 4.03Å; W624-W628 HydrophobicContact CB-CZ3 4.26Å; W624-W628 WeakPolarHBondContact O-CB 3.44Å; W624-W628 PolarHBondContact O-N 3.32Å; W628-P633 WeakPolarHBondContact O-CD 3.18Å
629	A	97.9	Very high	95.4	Very high	4 Å²	4	47.4 Å²	47.4	3%	0.033	24%	0.244	C	C	.	.	I	π-helix	trans	-80.8	-28.8	-174.7	0	0	0	0	0	113.5	C600 W601 Q625 C627	C600-A629 HydrophobicContact CB-CB 4.34Å; W601-A629 PolarHBondContact NE1-O 3.48Å; Q625-A629 WeakPolarHBondContact O-CB 3.32Å; Q625-A629 PolarHBondContact O-N 3.02Å; C627-A629 PolarHBondContact O-N 2.84Å
630	Y	97.2	Very high	95.2	Very high	143 Å²	143	43.9 Å²	43.9	56%	0.561	23%	0.229	S	C	*	.	I	π-helix	trans	-135.7	-59.2	-169.7	-54	-69.1	0	0	0	113.5	I626 P633 I634	I626-Y630 PolarHBondContact O-N 3.37Å; Y630-P633 WeakPolarHBondContact O-CD 3.45Å; Y630-P633 WeakPolarHBondContact O-CG 3.32Å; Y630-I634 VanDerWaalsContact O-CB 3.3Å; Y630-I634 WeakPolarHBondContact O-CB 3.25Å; Y630-I634 VanDerWaalsContact O-CD1 3.3Å; Y630-I634 WeakPolarHBondContact O-CD1 3.37Å; Y630-I634 WeakPolarHBondContact O-CG1 3.35Å; Y630-I634 PolarHBondContact O-N 3.46Å
631	I	95.8	Very high	94.8	Very high	46 Å²	46	48 Å²	48	24%	0.236	25%	0.25	C	C	.	.	I	π-helix	trans	-64	-53.7	-168.2	-60.1	175.7	0	0	0	111	F191 I626 C627 I634 F635	F191-I631 HydrophobicContact CB-CG2 4.15Å; F191-I631 HydrophobicContact CD1-CD1 4.11Å; I626-I631 HydrophobicContact CG2-CD1 3.71Å; I626-I631 HydrophobicContact CG2-CG1 3.94Å; I626-I631 PolarHBondContact O-N 3.38Å; C627-I631 PolarHBondContact O-N 2.97Å; I631-I634 PolarHBondContact O-N 2.97Å; I631-F635 HydrophobicContact CG2-CD2 3.48Å; I631-F635 VanDerWaalsContact CG2-CD2 3.48Å; I631-F635 HydrophobicContact CG2-CE2 3.37Å; I631-F635 WeakPolarHBondContact O-CD2 3.19Å; I631-F635 PolarHBondContact O-N 3.01Å
632	S	94.3	Very high	94.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.4	-50.8	-179.3	-50.6	0	0	0	0	113	F191 C627 I634 F635 L636	F191-S632 PolarHBondContact O-OG 2.97Å; C627-S632 WeakPolarHBondContact O-CB 3.08Å; C627-S632 PolarHBondContact O-N 3.3Å; C627-S632 PolarHBondContact O-OG 2.91Å; C627-S632 VanDerWaalsContact O-OG 3.08Å; S632-I634 PolarHBondContact O-N 3.42Å; S632-F635 PolarHBondContact O-N 3.28Å; S632-L636 VanDerWaalsContact O-CG 3.27Å; S632-L636 WeakPolarHBondContact O-CG 3.32Å; S632-L636 PolarHBondContact O-N 2.98Å
633	P	94.7	Very high	93.8	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-64.1	-35.1	178.3	21.1	-31	0	0	0	113.6	F593 C596 W628 Y630 L637	F593-P633 HydrophobicContact CD2-CB 3.88Å; F593-P633 WeakPolarHBondContact CD2-O 3.42Å; F593-P633 HydrophobicContact CE2-CB 4.16Å; C596-P633 HydrophobicContact CB-CB 3.91Å; C596-P633 HydrophobicContact CB-CG 4.17Å; W628-P633 WeakPolarHBondContact O-CD 3.18Å; Y630-P633 WeakPolarHBondContact O-CD 3.45Å; Y630-P633 WeakPolarHBondContact O-CG 3.32Å; P633-L637 WeakPolarHBondContact O-CB 3.4Å; P633-L637 PolarHBondContact O-N 3Å
634	I	93.7	Very high	93.4	Very high	115 Å²	115	44.3 Å²	44.3	59%	0.59	23%	0.229	S	C	*	.	H	α-helix	trans	-63.2	-45.6	175	-70.7	167.1	0	0	0	110.5	Y630 I631 S632 L637 G638	Y630-I634 VanDerWaalsContact O-CB 3.3Å; Y630-I634 WeakPolarHBondContact O-CB 3.25Å; Y630-I634 VanDerWaalsContact O-CD1 3.3Å; Y630-I634 WeakPolarHBondContact O-CD1 3.37Å; Y630-I634 WeakPolarHBondContact O-CG1 3.35Å; Y630-I634 PolarHBondContact O-N 3.46Å; I631-I634 PolarHBondContact O-N 2.97Å; S632-I634 PolarHBondContact O-N 3.42Å; I634-L637 PolarHBondContact O-N 3.11Å; I634-G638 PolarHBondContact O-N 3.48Å
635	F	88.9	Confident	92.9	Very high	78 Å²	78	48.6 Å²	48.6	34%	0.342	26%	0.258	S	S	.	.	H	α-helix	trans	-63.9	-46.2	177.4	-83.7	-61.3	0	0	0	112.5	M188 I631 S632 L637 G638 I639	M188-F635 HydrophobicContact CE-CD1 4.25Å; M188-F635 HydrophobicContact CE-CE1 3.99Å; I631-F635 HydrophobicContact CG2-CD2 3.48Å; I631-F635 VanDerWaalsContact CG2-CD2 3.48Å; I631-F635 HydrophobicContact CG2-CE2 3.37Å; I631-F635 WeakPolarHBondContact O-CD2 3.19Å; I631-F635 PolarHBondContact O-N 3.01Å; S632-F635 PolarHBondContact O-N 3.28Å; F635-L637 VanDerWaalsContact C-N 3.31Å; F635-L637 PolarHBondContact O-N 3.18Å; F635-G638 PolarHBondContact O-N 2.87Å; F635-I639 WeakPolarHBondContact O-CD1 3.4Å; F635-I639 VanDerWaalsContact O-CG1 3.27Å; F635-I639 WeakPolarHBondContact O-CG1 3.22Å; F635-I639 PolarHBondContact O-N 2.92Å
636	L	92.2	Very high	92.3	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-58.7	-44.4	178.1	-71.6	164.4	0	0	0	111.5	L196 F423 L589 V592 F593 S632 I639 F640	L196-L636 HydrophobicContact CD1-CD1 3.83Å; F423-L636 HydrophobicContact CD2-CD2 4.13Å; F423-L636 HydrophobicContact CE1-CD2 4.36Å; F423-L636 HydrophobicContact CE2-CD2 3.95Å; F423-L636 HydrophobicContact CG-CD2 4.43Å; F423-L636 HydrophobicContact CZ-CD2 4.07Å; F423-L636 HydrophobicContact CZ-CG 4.43Å; L589-L636 HydrophobicContact CD2-CD2 4.08Å; V592-L636 HydrophobicContact CB-CD1 3.91Å; V592-L636 HydrophobicContact CB-CD2 4.28Å; V592-L636 HydrophobicContact CG1-CD1 3.48Å; V592-L636 VanDerWaalsContact CG1-CD1 3.48Å; V592-L636 HydrophobicContact CG1-CD2 4.29Å; F593-L636 HydrophobicContact CB-CB 4.14Å; S632-L636 VanDerWaalsContact O-CG 3.27Å; S632-L636 WeakPolarHBondContact O-CG 3.32Å; S632-L636 PolarHBondContact O-N 2.98Å; L636-I639 PolarHBondContact O-N 3.44Å; L636-F640 WeakPolarHBondContact O-CB 3.41Å; L636-F640 PolarHBondContact O-N 2.9Å
637	L	92.5	Very high	91.7	Very high	63 Å²	63	49.2 Å²	49.2	33%	0.33	27%	0.268	S	S	.	.	H	α-helix	trans	-65	-41.8	176.5	-175.7	61.7	0	0	0	111.8	F593 P633 I634 F635 F640 I641	F593-L637 HydrophobicContact CD2-CB 4.04Å; F593-L637 HydrophobicContact CE2-CB 4.13Å; F593-L637 HydrophobicContact CE2-CD2 4.19Å; F593-L637 HydrophobicContact CZ-CD2 4.3Å; P633-L637 WeakPolarHBondContact O-CB 3.4Å; P633-L637 PolarHBondContact O-N 3Å; I634-L637 PolarHBondContact O-N 3.11Å; F635-L637 VanDerWaalsContact C-N 3.31Å; F635-L637 PolarHBondContact O-N 3.18Å; L637-F640 HydrophobicContact CD1-CD1 4.47Å; L637-F640 PolarHBondContact O-N 2.93Å; L637-I641 HydrophobicContact CD1-CD1 4.1Å; L637-I641 HydrophobicContact CD1-CG1 4.36Å; L637-I641 HydrophobicContact CG-CD1 3.94Å; L637-I641 VanDerWaalsContact O-CG1 3.27Å; L637-I641 WeakPolarHBondContact O-CG1 3.46Å; L637-I641 PolarHBondContact O-N 3.12Å
638	G	90.2	Very high	91	Very high	41 Å²	41	55.1 Å²	55.1	42%	0.423	30%	0.295	S	S	.	.	H	α-helix	trans	-61.6	-46.4	176.6	0	0	0	0	0	112.9	I634 F635 I641 A642	I634-G638 PolarHBondContact O-N 3.48Å; F635-G638 PolarHBondContact O-N 2.87Å; G638-I641 PolarHBondContact O-N 2.82Å; G638-A642 WeakPolarHBondContact O-CB 3.33Å; G638-A642 PolarHBondContact O-N 2.77Å
639	I	88.8	Confident	90.2	Very high	11 Å²	11	58.1 Å²	58.1	6%	0.056	31%	0.314	C	S	.	.	H	α-helix	trans	-67	-39.5	177.6	-62.6	158.5	0	0	0	110.3	A419 F423 L589 F635 L636 A642 N643	A419-I639 HydrophobicContact CB-CD1 3.28Å; A419-I639 HydrophobicContact CB-CG1 4.27Å; F423-I639 HydrophobicContact CD2-CD1 4.38Å; F423-I639 HydrophobicContact CE2-CD1 3.88Å; L589-I639 HydrophobicContact CD1-CG2 3.72Å; L589-I639 HydrophobicContact CD2-CG2 4.05Å; F635-I639 WeakPolarHBondContact O-CD1 3.4Å; F635-I639 VanDerWaalsContact O-CG1 3.27Å; F635-I639 WeakPolarHBondContact O-CG1 3.22Å; F635-I639 PolarHBondContact O-N 2.92Å; L636-I639 PolarHBondContact O-N 3.44Å; I639-A642 PolarHBondContact O-N 3.44Å; I639-N643 VanDerWaalsContact CG2-ND2 3.29Å; I639-N643 WeakPolarHBondContact CG2-ND2 3.32Å; I639-N643 WeakPolarHBondContact O-CB 3.08Å; I639-N643 PolarHBondContact O-N 2.79Å; I639-N643 PolarHBondContact O-ND2 3.4Å
640	F	90.9	Very high	89.6	Confident	33 Å²	33	62.5 Å²	62.5	15%	0.145	33%	0.333	C	S	.	.	H	α-helix	trans	-60.8	-48.6	175.3	176.5	-109.3	0	0	0	111.8	I586 L589 F590 L636 L637 A642 N643 I644	I586-F640 HydrophobicContact CG2-CD2 4.24Å; I586-F640 HydrophobicContact CG2-CE2 3.9Å; L589-F640 HydrophobicContact CB-CB 4.08Å; L589-F640 HydrophobicContact CB-CD2 4.28Å; F590-F640 HydrophobicContact CB-CD2 3.97Å; F590-F640 HydrophobicContact CB-CE1 4.45Å; F590-F640 HydrophobicContact CB-CE2 3.71Å; F590-F640 HydrophobicContact CB-CG 4.44Å; F590-F640 HydrophobicContact CB-CZ 3.95Å; F590-F640 HydrophobicContact CD2-CD1 4.31Å; F590-F640 AromaticContact CD2-CE1 3.86Å; F590-F640 HydrophobicContact CD2-CE1 3.86Å; F590-F640 AromaticContact CD2-CZ 3.99Å; F590-F640 HydrophobicContact CD2-CZ 3.99Å; F590-F640 HydrophobicContact CG-CE1 4.48Å; F590-F640 HydrophobicContact CG-CE2 4.43Å; F590-F640 HydrophobicContact CG-CZ 4.17Å; L636-F640 WeakPolarHBondContact O-CB 3.41Å; L636-F640 PolarHBondContact O-N 2.9Å; L637-F640 HydrophobicContact CD1-CD1 4.47Å; L637-F640 PolarHBondContact O-N 2.93Å; F640-A642 PolarHBondContact O-N 3.45Å; F640-N643 PolarHBondContact O-N 3.47Å; F640-I644 HydrophobicContact CD1-CD1 4.12Å; F640-I644 HydrophobicContact CD2-CD1 4.33Å; F640-I644 HydrophobicContact CE1-CD1 3.52Å; F640-I644 HydrophobicContact CE2-CD1 3.75Å; F640-I644 HydrophobicContact CE2-CG1 4.42Å; F640-I644 HydrophobicContact CZ-CD1 3.32Å; F640-I644 HydrophobicContact CZ-CG1 4.43Å; F640-I644 WeakPolarHBondContact O-CG1 3.29Å; F640-I644 PolarHBondContact O-N 3.11Å; F640-I644 VanDerWaalsContact O-N 3.07Å
641	I	90.8	Very high	89.3	Confident	89 Å²	89	58.1 Å²	58.1	46%	0.456	32%	0.323	S	S	.	.	H	α-helix	trans	-62.4	-44.2	176.7	-67.7	167	0	0	0	110.5	L637 G638 N643 I644 V645	L637-I641 HydrophobicContact CD1-CD1 4.1Å; L637-I641 HydrophobicContact CD1-CG1 4.36Å; L637-I641 HydrophobicContact CG-CD1 3.94Å; L637-I641 VanDerWaalsContact O-CG1 3.27Å; L637-I641 WeakPolarHBondContact O-CG1 3.46Å; L637-I641 PolarHBondContact O-N 3.12Å; G638-I641 PolarHBondContact O-N 2.82Å; I641-N643 VanDerWaalsContact C-N 3.34Å; I641-N643 PolarHBondContact O-N 3.27Å; I641-I644 PolarHBondContact O-N 3.27Å; I641-V645 HydrophobicContact CG2-CG2 4Å; I641-V645 WeakPolarHBondContact O-CB 3.48Å; I641-V645 WeakPolarHBondContact O-CG2 3.43Å; I641-V645 PolarHBondContact O-N 2.93Å
642	A	87.4	Confident	89.1	Confident	35 Å²	35	56.5 Å²	56.5	29%	0.289	32%	0.315	S	S	.	.	H	α-helix	trans	-60.8	-41.5	177.3	0	0	0	0	0	112.1	G638 I639 F640 I644 V645 S646	G638-A642 WeakPolarHBondContact O-CB 3.33Å; G638-A642 PolarHBondContact O-N 2.77Å; I639-A642 PolarHBondContact O-N 3.44Å; F640-A642 PolarHBondContact O-N 3.45Å; A642-I644 VanDerWaalsContact C-N 3.31Å; A642-I644 PolarHBondContact O-N 3.49Å; A642-V645 PolarHBondContact O-N 3.01Å; A642-S646 WeakPolarHBondContact O-CB 3.45Å; A642-S646 PolarHBondContact O-N 2.6Å; A642-S646 PolarHBondContact O-OG 3.23Å
643	N	85.9	Confident	88.8	Confident	52 Å²	52	60.3 Å²	60.3	28%	0.278	34%	0.341	S	S	.	.	H	α-helix	trans	-65.2	-32.9	176.3	-85.3	-79.8	0	0	0	112.9	I639 F640 I641 Y647	I639-N643 VanDerWaalsContact CG2-ND2 3.29Å; I639-N643 WeakPolarHBondContact CG2-ND2 3.32Å; I639-N643 WeakPolarHBondContact O-CB 3.08Å; I639-N643 PolarHBondContact O-N 2.79Å; I639-N643 PolarHBondContact O-ND2 3.4Å; F640-N643 PolarHBondContact O-N 3.47Å; I641-N643 VanDerWaalsContact C-N 3.34Å; I641-N643 PolarHBondContact O-N 3.27Å; N643-Y647 WeakPolarHBondContact O-CB 3.45Å; N643-Y647 PolarHBondContact O-N 2.84Å
644	I	88.5	Confident	88.5	Confident	65 Å²	65	60.4 Å²	60.4	33%	0.333	34%	0.342	S	S	.	.	H	α-helix	trans	-75.3	-48	175.3	-67.9	175.8	0	0	0	111.1	F640 I641 A642 Y647	F640-I644 HydrophobicContact CD1-CD1 4.12Å; F640-I644 HydrophobicContact CD2-CD1 4.33Å; F640-I644 HydrophobicContact CE1-CD1 3.52Å; F640-I644 HydrophobicContact CE2-CD1 3.75Å; F640-I644 HydrophobicContact CE2-CG1 4.42Å; F640-I644 HydrophobicContact CZ-CD1 3.32Å; F640-I644 HydrophobicContact CZ-CG1 4.43Å; F640-I644 WeakPolarHBondContact O-CG1 3.29Å; F640-I644 PolarHBondContact O-N 3.11Å; F640-I644 VanDerWaalsContact O-N 3.07Å; I641-I644 PolarHBondContact O-N 3.27Å; A642-I644 VanDerWaalsContact C-N 3.31Å; A642-I644 PolarHBondContact O-N 3.49Å; I644-Y647 WeakPolarHBondContact O-CB 3.23Å; I644-Y647 PolarHBondContact O-N 3.32Å
645	V	88.6	Confident	88.2	Confident	115 Å²	115	56.5 Å²	56.5	70%	0.697	32%	0.322	S	S	*	.	H	α-helix	trans	-69.5	-39.3	-175.2	171.8	0	0	0	0	111.6	I641 A642 Y647	I641-V645 HydrophobicContact CG2-CG2 4Å; I641-V645 WeakPolarHBondContact O-CB 3.48Å; I641-V645 WeakPolarHBondContact O-CG2 3.43Å; I641-V645 PolarHBondContact O-N 2.93Å; A642-V645 PolarHBondContact O-N 3.01Å; V645-Y647 VanDerWaalsContact C-N 3.29Å
646	S	85.8	Confident	88	Confident	91 Å²	91	54.7 Å²	54.7	64%	0.636	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	19.8	178.1	-51.5	0	0	0	0	112.4	A642 E648	A642-S646 WeakPolarHBondContact O-CB 3.45Å; A642-S646 PolarHBondContact O-N 2.6Å; A642-S646 PolarHBondContact O-OG 3.23Å; S646-E648 PolarHBondContact O-N 3.17Å; S646-E648 VanDerWaalsContact O-N 3.16Å
647	Y	85.4	Confident	87.8	Confident	48 Å²	48	58.2 Å²	58.2	19%	0.188	35%	0.347	C	S	.	.			trans	-67.5	115.2	177.7	179.5	-94.1	0	0	0	110.1	H582 I586 N643 I644 V645 T649 W670	H582-Y647 AromaticContact NE2-CE2 3.49Å; H582-Y647 WeakPolarHBondContact NE2-CE2 3.38Å; H582-Y647 AromaticContact NE2-CZ 3.55Å; H582-Y647 PolarHBondContact NE2-OH 3.46Å; I586-Y647 HydrophobicContact CD1-CD2 4.43Å; N643-Y647 WeakPolarHBondContact O-CB 3.45Å; N643-Y647 PolarHBondContact O-N 2.84Å; I644-Y647 WeakPolarHBondContact O-CB 3.23Å; I644-Y647 PolarHBondContact O-N 3.32Å; V645-Y647 VanDerWaalsContact C-N 3.29Å; Y647-T649 HydrophobicContact CE1-CG2 3.98Å; Y647-W670 AromaticContact CD1-CZ2 3.7Å; Y647-W670 HydrophobicContact CD1-CZ2 3.7Å; Y647-W670 HydrophobicContact CD2-CZ2 4.2Å; Y647-W670 AromaticContact CE1-CZ2 3.97Å; Y647-W670 HydrophobicContact CE1-CZ2 3.97Å; Y647-W670 AromaticContact CE1-NE1 3.96Å; Y647-W670 HydrophobicContact CE2-CZ2 4.44Å; Y647-W670 HydrophobicContact CG-CH2 4.33Å; Y647-W670 AromaticContact CG-CZ2 3.82Å; Y647-W670 HydrophobicContact CG-CZ2 3.82Å
648	E	83.7	Confident	87.8	Confident	126 Å²	126	59 Å²	59	59%	0.589	35%	0.354	S	S	*	.			trans	-115.4	138	170.4	-67.9	-178.6	178.4	0	0	110.2	R581 S646 Q650	R581-E648 PolarHBondContact NH2-O 3.07Å; S646-E648 PolarHBondContact O-N 3.17Å; S646-E648 VanDerWaalsContact O-N 3.16Å; E648-Q650 PolarHBondContact O-N 3.28Å; E648-Q650 PolarHBondContact OE2-NE2 3.2Å
649	T	81.9	Confident	87.9	Confident	63 Å²	63	59 Å²	59	39%	0.387	34%	0.342	S	S	.	.			trans	-70.5	114.3	169.3	50.1	0	0	0	0	108.5	Y647 P661 I666	Y647-T649 HydrophobicContact CE1-CG2 3.98Å; T649-P661 HydrophobicContact CG2-CG 4.39Å; T649-I666 HydrophobicContact CG2-CD1 4.02Å; T649-I666 HydrophobicContact CG2-CG1 4.14Å
650	Q	84.8	Confident	88	Confident	95 Å²	95	63.8 Å²	63.8	44%	0.444	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-99.6	122.5	178.5	-65.8	-68.1	-41.9	0	0	108.9	E648	E648-Q650 PolarHBondContact O-N 3.28Å; E648-Q650 PolarHBondContact OE2-NE2 3.2Å
651	P	90.3	Very high	88.1	Confident	52 Å²	52	63.3 Å²	63.3	34%	0.338	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-70.5	155	177.4	29.4	-33.9	0	0	0	111.2	V658 E660	P651-V658 HydrophobicContact CB-CG1 3.54Å; P651-V658 HydrophobicContact CG-CG1 4.02Å; P651-E660 WeakPolarHBondContact CB-OE1 3.23Å
652	V	91	Very high	88.2	Confident	12 Å²	12	61.6 Å²	61.6	7%	0.073	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	116.7	176.1	-177.5	0	0	0	0	108.9	Y573 L574 T577 V654 Y659	Y573-V652 HydrophobicContact CD1-CG1 3.97Å; Y573-V652 HydrophobicContact CE1-CG1 3.51Å; L574-V652 HydrophobicContact CD2-CB 3.87Å; L574-V652 HydrophobicContact CD2-CG1 3.82Å; L574-V652 HydrophobicContact CD2-CG2 4.3Å; T577-V652 HydrophobicContact CG2-CG2 3.88Å; V652-V654 HydrophobicContact CG1-CG2 4.18Å; V652-Y659 PolarHBondContact N-O 2.86Å; V652-Y659 VanDerWaalsContact N-O 3.14Å; V652-Y659 WeakPolarHBondContact O-CD2 3.28Å; V652-Y659 PolarHBondContact O-N 3.37Å
653	S	88.7	Confident	88.5	Confident	79 Å²	79	65.3 Å²	65.3	55%	0.552	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.6	176.7	63.3	0	0	0	0	111.7	V657	S653-V657 CarbonylContact C-O 3.49Å; S653-V657 WeakPolarHBondContact CA-O 3.36Å
654	V	89.3	Confident	88.9	Confident	3 Å²	3	68.3 Å²	68.3	2%	0.018	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	122.2	176.6	176.7	0	0	0	0	109.6	Y322 I328 Y573 V652 G656 V657 Y659	Y322-V654 HydrophobicContact CD1-CB 4.31Å; Y322-V654 HydrophobicContact CD1-CG1 3.23Å; Y322-V654 HydrophobicContact CD1-CG2 4.21Å; Y322-V654 HydrophobicContact CD2-CG1 3.91Å; Y322-V654 HydrophobicContact CE1-CB 4.18Å; Y322-V654 HydrophobicContact CE1-CG1 3.54Å; Y322-V654 HydrophobicContact CE1-CG2 3.75Å; Y322-V654 HydrophobicContact CE2-CG1 4.15Å; Y322-V654 HydrophobicContact CG-CG1 3.44Å; Y322-V654 VanDerWaalsContact CG-CG1 3.44Å; I328-V654 HydrophobicContact CD1-CB 4.23Å; I328-V654 HydrophobicContact CD1-CG1 3.96Å; I328-V654 HydrophobicContact CD1-CG2 3.99Å; I328-V654 HydrophobicContact CG2-CG1 4.01Å; Y573-V654 HydrophobicContact CD1-CG2 3.97Å; Y573-V654 HydrophobicContact CE1-CG2 3.93Å; V652-V654 HydrophobicContact CG1-CG2 4.18Å; V654-G656 PolarHBondContact O-N 2.89Å; V654-G656 VanDerWaalsContact O-N 3.13Å; V654-V657 PolarHBondContact N-O 3.49Å; V654-V657 WeakPolarHBondContact O-CB 3.42Å; V654-V657 PolarHBondContact O-N 3.42Å; V654-Y659 HydrophobicContact CB-CE2 4.12Å; V654-Y659 HydrophobicContact CG2-CE2 4.41Å
655	L	87.3	Confident	89.2	Confident	33 Å²	33	65.3 Å²	65.3	17%	0.173	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	47	43.1	-179.4	-60.5	175	0	0	0	112.6	F314 E318 E319 Y322 R323 V657	F314-L655 HydrophobicContact CB-CD2 3.95Å; F314-L655 HydrophobicContact CD1-CB 4.46Å; F314-L655 HydrophobicContact CD1-CD2 3.75Å; F314-L655 HydrophobicContact CD2-CD2 4.15Å; F314-L655 HydrophobicContact CE1-CB 4.19Å; F314-L655 HydrophobicContact CE1-CD2 4.32Å; F314-L655 HydrophobicContact CE2-CB 4.28Å; F314-L655 HydrophobicContact CG-CD2 3.66Å; F314-L655 HydrophobicContact CZ-CB 4.11Å; F314-L655 WeakPolarHBondContact CZ-O 3.49Å; E318-L655 HydrophobicContact CB-CD2 4.2Å; E319-L655 HydrophobicContact CG-CD2 4.46Å; Y322-L655 HydrophobicContact CD2-CD2 3.92Å; Y322-L655 HydrophobicContact CD2-CG 3.87Å; Y322-L655 HydrophobicContact CG-CG 4.24Å; R323-L655 HydrophobicContact CG-CD1 3.83Å; L655-V657 PolarHBondContact O-N 2.81Å
656	G	83.4	Confident	89.5	Confident	41 Å²	41	62.3 Å²	62.3	42%	0.423	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	-8.3	-179	0	0	0	0	0	116.1	V654	V654-G656 PolarHBondContact O-N 2.89Å; V654-G656 VanDerWaalsContact O-N 3.13Å
657	V	89.1	Confident	90	Very high	75 Å²	75	62.4 Å²	62.4	46%	0.455	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	128.4	171.8	-178.1	0	0	0	0	109.1	S653 V654 L655 Y659	S653-V657 CarbonylContact C-O 3.49Å; S653-V657 WeakPolarHBondContact CA-O 3.36Å; V654-V657 PolarHBondContact N-O 3.49Å; V654-V657 WeakPolarHBondContact O-CB 3.42Å; V654-V657 PolarHBondContact O-N 3.42Å; L655-V657 PolarHBondContact O-N 2.81Å; V657-Y659 HydrophobicContact CB-CE2 4.16Å; V657-Y659 HydrophobicContact CG1-CD2 4.37Å; V657-Y659 HydrophobicContact CG1-CE1 4.27Å; V657-Y659 HydrophobicContact CG1-CE2 3.82Å
658	V	91.3	Very high	90.5	Very high	80 Å²	80	63.4 Å²	63.4	49%	0.485	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.9	179.9	-175.4	0	0	0	0	109	P651 E660	P651-V658 HydrophobicContact CB-CG1 3.54Å; P651-V658 HydrophobicContact CG-CG1 4.02Å; V658-E660 HydrophobicContact CG1-CG 4.49Å; V658-E660 WeakPolarHBondContact CG1-OE1 3.42Å
659	Y	92.5	Very high	91	Very high	42 Å²	42	57.6 Å²	57.6	17%	0.165	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	101.1	175.7	-64.3	-84.6	0	0	0	109.3	I328 L574 V652 V654 V657	I328-Y659 HydrophobicContact CD1-CE2 4.43Å; L574-Y659 HydrophobicContact CD1-CD1 4.19Å; L574-Y659 HydrophobicContact CD1-CG 4.28Å; L574-Y659 HydrophobicContact CD2-CD2 4.17Å; L574-Y659 HydrophobicContact CD2-CG 4.09Å; V652-Y659 PolarHBondContact N-O 2.86Å; V652-Y659 VanDerWaalsContact N-O 3.14Å; V652-Y659 WeakPolarHBondContact O-CD2 3.28Å; V652-Y659 PolarHBondContact O-N 3.37Å; V654-Y659 HydrophobicContact CB-CE2 4.12Å; V654-Y659 HydrophobicContact CG2-CE2 4.41Å; V657-Y659 HydrophobicContact CB-CE2 4.16Å; V657-Y659 HydrophobicContact CG1-CD2 4.37Å; V657-Y659 HydrophobicContact CG1-CE1 4.27Å; V657-Y659 HydrophobicContact CG1-CE2 3.82Å
660	E	92.3	Very high	91.7	Very high	111 Å²	111	57.6 Å²	57.6	52%	0.519	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-77.4	133	175	-66.1	-63.3	160.1	0	0	110.6	P651 V658 T662	P651-E660 WeakPolarHBondContact CB-OE1 3.23Å; V658-E660 HydrophobicContact CG1-CG 4.49Å; V658-E660 WeakPolarHBondContact CG1-OE1 3.42Å; E660-T662 PolarHBondContact O-N 3.48Å
661	P	91.1	Very high	92.3	Very high	23 Å²	23	55.7 Å²	55.7	15%	0.149	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-68	121.3	175	28.1	-32.5	0	0	0	110	Y334 T649 V665 I666	Y334-P661 HydrophobicContact CE2-CB 4.49Å; T649-P661 HydrophobicContact CG2-CG 4.39Å; P661-V665 HydrophobicContact CB-CB 4.24Å; P661-V665 HydrophobicContact CB-CG1 3.97Å; P661-I666 HydrophobicContact CB-CG1 4.14Å; P661-I666 HydrophobicContact CG-CG1 4.48Å
662	T	92.8	Very high	92.6	Very high	52 Å²	52	53.8 Å²	53.8	32%	0.319	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-75.6	168.8	175.6	64.6	0	0	0	0	111	E660 W664 V665 I666	E660-T662 PolarHBondContact O-N 3.48Å; T662-W664 VanDerWaalsContact C-N 3.28Å; T662-W664 PolarHBondContact O-N 3.04Å; T662-W664 PolarHBondContact OG1-NE1 3.12Å; T662-W664 VanDerWaalsContact OG1-NE1 3.07Å; T662-V665 WeakPolarHBondContact O-CB 3.27Å; T662-V665 PolarHBondContact O-N 3.3Å; T662-V665 WeakPolarHBondContact OG1-CG2 3.17Å; T662-I666 WeakPolarHBondContact O-CG1 3.25Å; T662-I666 PolarHBondContact O-N 2.95Å
663	T	93.7	Very high	92.8	Very high	113 Å²	113	53.4 Å²	53.4	69%	0.693	30%	0.304	S	S	*	.	H	α-helix	trans	-53.9	-41	-177.8	-48.8	0	0	0	0	113.4	V665 I666 V667	T663-V665 VanDerWaalsContact C-N 3.34Å; T663-V665 PolarHBondContact O-N 3.49Å; T663-I666 PolarHBondContact O-N 3.4Å; T663-V667 VanDerWaalsContact O-CG2 3.31Å; T663-V667 WeakPolarHBondContact O-CG2 3.39Å; T663-V667 PolarHBondContact O-N 2.98Å
664	W	95.4	Very high	93.1	Very high	116 Å²	116	54.6 Å²	54.6	44%	0.439	30%	0.3	S	S	.	.	H	α-helix	trans	-69.6	-33.3	179.5	75.6	-102.3	0	0	0	112.1	Y334 N335 T662 V667 L668	Y334-W664 VanDerWaalsContact O-CZ2 3.3Å; Y334-W664 WeakPolarHBondContact O-CZ2 3.36Å; N335-W664 PolarHBondContact OD1-NE1 3.34Å; T662-W664 VanDerWaalsContact C-N 3.28Å; T662-W664 PolarHBondContact O-N 3.04Å; T662-W664 PolarHBondContact OG1-NE1 3.12Å; T662-W664 VanDerWaalsContact OG1-NE1 3.07Å; W664-V667 PolarHBondContact O-N 2.9Å; W664-L668 HydrophobicContact CE3-CB 4.48Å; W664-L668 HydrophobicContact CE3-CD2 4.31Å; W664-L668 HydrophobicContact CZ3-CD2 3.79Å; W664-L668 VanDerWaalsContact O-CB 3.28Å; W664-L668 WeakPolarHBondContact O-CB 3.48Å; W664-L668 PolarHBondContact O-N 3.41Å
665	V	95.4	Very high	93.5	Very high	2 Å²	2	56 Å²	56	1%	0.012	31%	0.31	C	S	.	.	H	α-helix	trans	-64.8	-45	175.3	179.6	0	0	0	0	109.4	Y334 M578 P661 T662 T663 L668 S669	Y334-V665 HydrophobicContact CD1-CG1 3.94Å; Y334-V665 HydrophobicContact CD1-CG2 3.79Å; Y334-V665 HydrophobicContact CD2-CG2 4.08Å; Y334-V665 HydrophobicContact CE1-CG1 3.86Å; Y334-V665 HydrophobicContact CE1-CG2 4.49Å; Y334-V665 HydrophobicContact CG-CG1 4.37Å; Y334-V665 HydrophobicContact CG-CG2 3.56Å; M578-V665 HydrophobicContact SD-CG1 4.19Å; P661-V665 HydrophobicContact CB-CB 4.24Å; P661-V665 HydrophobicContact CB-CG1 3.97Å; T662-V665 WeakPolarHBondContact O-CB 3.27Å; T662-V665 PolarHBondContact O-N 3.3Å; T662-V665 WeakPolarHBondContact OG1-CG2 3.17Å; T663-V665 VanDerWaalsContact C-N 3.34Å; T663-V665 PolarHBondContact O-N 3.49Å; V665-L668 PolarHBondContact O-N 3.43Å; V665-S669 WeakPolarHBondContact O-CB 3.33Å; V665-S669 PolarHBondContact O-N 2.75Å; V665-S669 PolarHBondContact O-OG 3.26Å
666	I	94.3	Very high	94	Very high	51 Å²	51	54.4 Å²	54.4	26%	0.262	30%	0.302	S	S	.	.	H	α-helix	trans	-61.8	-46.4	177.1	-62.5	168.9	0	0	0	110.8	T649 P661 T662 T663 L668 S669 W670	T649-I666 HydrophobicContact CG2-CD1 4.02Å; T649-I666 HydrophobicContact CG2-CG1 4.14Å; P661-I666 HydrophobicContact CB-CG1 4.14Å; P661-I666 HydrophobicContact CG-CG1 4.48Å; T662-I666 WeakPolarHBondContact O-CG1 3.25Å; T662-I666 PolarHBondContact O-N 2.95Å; T663-I666 PolarHBondContact O-N 3.4Å; I666-L668 VanDerWaalsContact C-N 3.33Å; I666-L668 PolarHBondContact O-N 3.11Å; I666-S669 WeakPolarHBondContact O-CB 3.42Å; I666-S669 PolarHBondContact O-N 2.76Å; I666-W670 VanDerWaalsContact O-CD1 3.31Å; I666-W670 PolarHBondContact O-N 3.4Å
667	V	96.3	Very high	94.6	Very high	94 Å²	94	53.1 Å²	53.1	57%	0.57	29%	0.286	S	S	*	.	H	α-helix	trans	-60.8	-43.5	176.8	170.9	0	0	0	0	110.8	T663 W664 W670 A671	T663-V667 VanDerWaalsContact O-CG2 3.31Å; T663-V667 WeakPolarHBondContact O-CG2 3.39Å; T663-V667 PolarHBondContact O-N 2.98Å; W664-V667 PolarHBondContact O-N 2.9Å; V667-W670 PolarHBondContact O-N 3.48Å; V667-A671 WeakPolarHBondContact O-CB 3.48Å; V667-A671 PolarHBondContact O-N 2.99Å
668	L	96.1	Very high	94.9	Very high	68 Å²	68	53.2 Å²	53.2	36%	0.356	28%	0.283	S	S	.	.	H	α-helix	trans	-64.7	-41.8	176.8	-179.8	61.2	0	0	0	111.8	M578 W664 V665 I666 W670 A671 I672	M578-L668 HydrophobicContact CE-CD2 3.94Å; M578-L668 HydrophobicContact CE-CG 4.41Å; M578-L668 HydrophobicContact SD-CD2 4.1Å; M578-L668 HydrophobicContact SD-CG 4.35Å; W664-L668 HydrophobicContact CE3-CB 4.48Å; W664-L668 HydrophobicContact CE3-CD2 4.31Å; W664-L668 HydrophobicContact CZ3-CD2 3.79Å; W664-L668 VanDerWaalsContact O-CB 3.28Å; W664-L668 WeakPolarHBondContact O-CB 3.48Å; W664-L668 PolarHBondContact O-N 3.41Å; V665-L668 PolarHBondContact O-N 3.43Å; I666-L668 VanDerWaalsContact C-N 3.33Å; I666-L668 PolarHBondContact O-N 3.11Å; L668-W670 PolarHBondContact O-N 3.15Å; L668-A671 WeakPolarHBondContact O-CB 3.46Å; L668-A671 PolarHBondContact O-N 3.04Å; L668-I672 HydrophobicContact CD1-CD1 4.31Å; L668-I672 HydrophobicContact CD1-CG1 4.41Å; L668-I672 HydrophobicContact CG-CD1 4.03Å; L668-I672 VanDerWaalsContact O-CG1 3.31Å; L668-I672 WeakPolarHBondContact O-CG1 3.33Å; L668-I672 PolarHBondContact O-N 3.34Å
669	S	95.1	Very high	95.2	Very high	4 Å²	4	52.4 Å²	52.4	3%	0.028	27%	0.273	C	S	.	.	H	α-helix	trans	-57.5	-47.6	175.1	-68.8	0	0	0	0	111.5	M578 V665 I666 I672 V673	M578-S669 WeakPolarHBondContact CG-OG 3.4Å; V665-S669 WeakPolarHBondContact O-CB 3.33Å; V665-S669 PolarHBondContact O-N 2.75Å; V665-S669 PolarHBondContact O-OG 3.26Å; I666-S669 WeakPolarHBondContact O-CB 3.42Å; I666-S669 PolarHBondContact O-N 2.76Å; S669-I672 WeakPolarHBondContact O-CB 3.44Å; S669-I672 PolarHBondContact O-N 2.69Å; S669-V673 WeakPolarHBondContact O-CG2 3.17Å; S669-V673 PolarHBondContact O-N 3.26Å
670	W	95	Very high	95.5	Very high	64 Å²	64	50.7 Å²	50.7	24%	0.242	27%	0.266	C	S	.	.	H	α-helix	trans	-67.6	-36.4	175.6	-78	108.9	0	0	0	112.9	Y647 I666 V667 L668 I672 V673 F674	Y647-W670 AromaticContact CD1-CZ2 3.7Å; Y647-W670 HydrophobicContact CD1-CZ2 3.7Å; Y647-W670 HydrophobicContact CD2-CZ2 4.2Å; Y647-W670 AromaticContact CE1-CZ2 3.97Å; Y647-W670 HydrophobicContact CE1-CZ2 3.97Å; Y647-W670 AromaticContact CE1-NE1 3.96Å; Y647-W670 HydrophobicContact CE2-CZ2 4.44Å; Y647-W670 HydrophobicContact CG-CH2 4.33Å; Y647-W670 AromaticContact CG-CZ2 3.82Å; Y647-W670 HydrophobicContact CG-CZ2 3.82Å; I666-W670 VanDerWaalsContact O-CD1 3.31Å; I666-W670 PolarHBondContact O-N 3.4Å; V667-W670 PolarHBondContact O-N 3.48Å; L668-W670 PolarHBondContact O-N 3.15Å; W670-I672 VanDerWaalsContact C-N 3.28Å; W670-I672 PolarHBondContact O-N 2.61Å; W670-V673 HydrophobicContact CE3-CB 4.27Å; W670-V673 HydrophobicContact CE3-CG1 4.33Å; W670-V673 HydrophobicContact CE3-CG2 4.42Å; W670-V673 HydrophobicContact CZ3-CG1 4.35Å; W670-V673 PolarHBondContact O-N 3.35Å; W670-F674 HydrophobicContact CD2-CE2 4.38Å; W670-F674 HydrophobicContact CE3-CD2 4.23Å; W670-F674 AromaticContact CE3-CE2 3.52Å; W670-F674 HydrophobicContact CE3-CE2 3.52Å; W670-F674 HydrophobicContact CE3-CZ 4.09Å; W670-F674 HydrophobicContact CZ3-CE2 4.13Å; W670-F674 HydrophobicContact CZ3-CZ 4.24Å; W670-F674 WeakPolarHBondContact O-CD2 3.45Å; W670-F674 PolarHBondContact O-N 3.24Å
671	A	97.2	Very high	95.7	Very high	54 Å²	54	48.2 Å²	48.2	45%	0.446	26%	0.26	S	S	.	.	H	α-helix	trans	-60.8	-39.2	173.4	0	0	0	0	0	111.7	V667 L668 S675	V667-A671 WeakPolarHBondContact O-CB 3.48Å; V667-A671 PolarHBondContact O-N 2.99Å; L668-A671 WeakPolarHBondContact O-CB 3.46Å; L668-A671 PolarHBondContact O-N 3.04Å; A671-S675 WeakPolarHBondContact O-CB 3.27Å; A671-S675 PolarHBondContact O-N 3.14Å
672	I	96.6	Very high	96	Very high	12 Å²	12	51.4 Å²	51.4	6%	0.062	28%	0.275	C	S	.	.	H	α-helix	trans	-65	-45.8	173.8	-71.6	165	0	0	0	111	Y235 M578 L579 H582 L668 S669 W670 F674 S675	Y235-I672 HydrophobicContact CD2-CG2 4.36Å; Y235-I672 HydrophobicContact CE1-CG2 4.26Å; Y235-I672 HydrophobicContact CE2-CG2 3.93Å; M578-I672 HydrophobicContact CE-CD1 3.7Å; M578-I672 HydrophobicContact SD-CD1 4.32Å; L579-I672 HydrophobicContact CD2-CD1 4.21Å; H582-I672 HydrophobicContact CB-CG2 4.28Å; L668-I672 HydrophobicContact CD1-CD1 4.31Å; L668-I672 HydrophobicContact CD1-CG1 4.41Å; L668-I672 HydrophobicContact CG-CD1 4.03Å; L668-I672 VanDerWaalsContact O-CG1 3.31Å; L668-I672 WeakPolarHBondContact O-CG1 3.33Å; L668-I672 PolarHBondContact O-N 3.34Å; S669-I672 WeakPolarHBondContact O-CB 3.44Å; S669-I672 PolarHBondContact O-N 2.69Å; W670-I672 VanDerWaalsContact C-N 3.28Å; W670-I672 PolarHBondContact O-N 2.61Å; I672-F674 VanDerWaalsContact C-N 3.33Å; I672-F674 PolarHBondContact O-N 3.08Å; I672-S675 PolarHBondContact O-N 3.38Å; I672-S675 PolarHBondContact O-OG 3.43Å
673	V	95.4	Very high	96.2	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.024	27%	0.268	C	S	.	.	H	α-helix	trans	-56.9	-48.4	176.5	172.2	0	0	0	0	110.6	H582 I586 S587 S669 W670 P677	H582-V673 HydrophobicContact CB-CG2 3.85Å; H582-V673 WeakPolarHBondContact O-CG2 3.2Å; I586-V673 HydrophobicContact CB-CG1 4.08Å; I586-V673 HydrophobicContact CD1-CG2 4.09Å; I586-V673 HydrophobicContact CG2-CG1 3.76Å; S587-V673 PolarHBondContact OG-O 3.48Å; S669-V673 WeakPolarHBondContact O-CG2 3.17Å; S669-V673 PolarHBondContact O-N 3.26Å; W670-V673 HydrophobicContact CE3-CB 4.27Å; W670-V673 HydrophobicContact CE3-CG1 4.33Å; W670-V673 HydrophobicContact CE3-CG2 4.42Å; W670-V673 HydrophobicContact CZ3-CG1 4.35Å; W670-V673 PolarHBondContact O-N 3.35Å; V673-P677 WeakPolarHBondContact O-CD 3.4Å; V673-P677 WeakPolarHBondContact O-CG 3.37Å
674	F	96.1	Very high	96.4	Very high	104 Å²	104	47.4 Å²	47.4	46%	0.456	25%	0.246	S	C	.	.	H	α-helix	trans	-79.3	-18.2	-175.3	-71.7	-63.5	0	0	0	114	W670 I672 S676 P677 I678	W670-F674 HydrophobicContact CD2-CE2 4.38Å; W670-F674 HydrophobicContact CE3-CD2 4.23Å; W670-F674 AromaticContact CE3-CE2 3.52Å; W670-F674 HydrophobicContact CE3-CE2 3.52Å; W670-F674 HydrophobicContact CE3-CZ 4.09Å; W670-F674 HydrophobicContact CZ3-CE2 4.13Å; W670-F674 HydrophobicContact CZ3-CZ 4.24Å; W670-F674 WeakPolarHBondContact O-CD2 3.45Å; W670-F674 PolarHBondContact O-N 3.24Å; I672-F674 VanDerWaalsContact C-N 3.33Å; I672-F674 PolarHBondContact O-N 3.08Å; F674-S676 PolarHBondContact O-N 3.28Å; F674-S676 VanDerWaalsContact O-N 3.13Å; F674-P677 HydrophobicContact CD1-CG 4.41Å; F674-P677 WeakPolarHBondContact O-CD 3.45Å; F674-I678 WeakPolarHBondContact O-CB 3.43Å; F674-I678 WeakPolarHBondContact O-CG2 3.25Å; F674-I678 PolarHBondContact O-N 3.2Å; F674-I678 VanDerWaalsContact O-N 3.13Å
675	S	97.2	Very high	96.5	Very high	33 Å²	33	46.7 Å²	46.7	23%	0.231	25%	0.25	C	C	.	.	H	α-helix	trans	-60.5	-27	-176.1	73.1	0	0	0	0	113.8	Y235 A671 I672 F679	Y235-S675 VanDerWaalsContact CE2-OG 3.28Å; Y235-S675 WeakPolarHBondContact CE2-OG 3.41Å; Y235-S675 PolarHBondContact OH-OG 2.91Å; A671-S675 WeakPolarHBondContact O-CB 3.27Å; A671-S675 PolarHBondContact O-N 3.14Å; I672-S675 PolarHBondContact O-N 3.38Å; I672-S675 PolarHBondContact O-OG 3.43Å; S675-F679 WeakPolarHBondContact O-CD2 3.46Å; S675-F679 VanDerWaalsContact O-CE2 3.27Å; S675-F679 WeakPolarHBondContact O-CE2 3.22Å
676	S	96.7	Very high	96.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-54.6	176.6	57.4	0	0	0	0	114.6	G228 I232 S587 F674 I678 F679	G228-S676 WeakPolarHBondContact CA-O 3.45Å; G228-S676 WeakPolarHBondContact O-CB 3.36Å; I232-S676 WeakPolarHBondContact CG1-OG 3.36Å; S587-S676 WeakPolarHBondContact CB-OG 3.42Å; S587-S676 PolarHBondContact OG-OG 3.34Å; F674-S676 PolarHBondContact O-N 3.28Å; F674-S676 VanDerWaalsContact O-N 3.13Å; S676-I678 VanDerWaalsContact C-N 3.26Å; S676-I678 PolarHBondContact O-N 3.18Å; S676-F679 PolarHBondContact O-N 3.36Å
677	P	96.1	Very high	96.6	Very high	13 Å²	13	51.9 Å²	51.9	8%	0.084	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-22.8	-177.1	30.6	-38.6	0	0	0	112.8	F590 V673 F674 F679 I680 P681	F590-P677 HydrophobicContact CD1-CB 3.58Å; F590-P677 HydrophobicContact CE1-CB 4.04Å; V673-P677 WeakPolarHBondContact O-CD 3.4Å; V673-P677 WeakPolarHBondContact O-CG 3.37Å; F674-P677 HydrophobicContact CD1-CG 4.41Å; F674-P677 WeakPolarHBondContact O-CD 3.45Å; P677-F679 PolarHBondContact O-N 3.37Å; P677-F679 VanDerWaalsContact O-N 3.16Å; P677-I680 WeakPolarHBondContact O-CB 3.18Å; P677-I680 PolarHBondContact O-N 3.15Å; P677-P681 VanDerWaalsContact O-CD 3.23Å; P677-P681 WeakPolarHBondContact O-CD 3.36Å
678	I	97.1	Very high	96.6	Very high	77 Å²	77	49 Å²	49	40%	0.395	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.2	-178.4	-159.3	172.8	0	0	0	113.4	F674 S676 I680 P681 I682	F674-I678 WeakPolarHBondContact O-CB 3.43Å; F674-I678 WeakPolarHBondContact O-CG2 3.25Å; F674-I678 PolarHBondContact O-N 3.2Å; F674-I678 VanDerWaalsContact O-N 3.13Å; S676-I678 VanDerWaalsContact C-N 3.26Å; S676-I678 PolarHBondContact O-N 3.18Å; I678-I680 PolarHBondContact O-N 3.39Å; I678-P681 WeakPolarHBondContact O-CD 3.39Å; I678-P681 WeakPolarHBondContact O-CG 3.37Å; I678-I682 HydrophobicContact CD1-CD1 4.01Å; I678-I682 HydrophobicContact CG1-CD1 3.68Å; I678-I682 HydrophobicContact CG1-CG1 4.1Å; I678-I682 HydrophobicContact CG2-CD1 4.37Å; I678-I682 WeakPolarHBondContact O-CB 3.49Å; I678-I682 VanDerWaalsContact O-CG1 3.32Å; I678-I682 WeakPolarHBondContact O-CG1 3.25Å; I678-I682 PolarHBondContact O-N 3.39Å; I678-I682 VanDerWaalsContact O-N 3.12Å
679	F	97.4	Very high	96.6	Very high	64 Å²	64	51.9 Å²	51.9	28%	0.281	26%	0.264	S	S	.	.	H	α-helix	trans	-61.2	-28.7	174.6	-80.6	-86.8	0	0	0	112.7	F227 I231 S675 S676 P677 L683	F227-F679 HydrophobicContact CB-CB 3.94Å; F227-F679 HydrophobicContact CB-CD1 3.7Å; F227-F679 HydrophobicContact CB-CD2 4.34Å; F227-F679 HydrophobicContact CB-CE1 4.29Å; F227-F679 HydrophobicContact CB-CG 3.73Å; F227-F679 HydrophobicContact CD1-CD1 4.44Å; F227-F679 HydrophobicContact CD1-CE1 4.4Å; F227-F679 HydrophobicContact CG-CD1 4.08Å; F227-F679 HydrophobicContact CG-CE1 4.49Å; I231-F679 HydrophobicContact CG1-CE2 4.02Å; S675-F679 WeakPolarHBondContact O-CD2 3.46Å; S675-F679 VanDerWaalsContact O-CE2 3.27Å; S675-F679 WeakPolarHBondContact O-CE2 3.22Å; S676-F679 PolarHBondContact O-N 3.36Å; P677-F679 PolarHBondContact O-N 3.37Å; P677-F679 VanDerWaalsContact O-N 3.16Å; F679-L683 VanDerWaalsContact O-CB 3.3Å; F679-L683 WeakPolarHBondContact O-CB 3.41Å; F679-L683 WeakPolarHBondContact O-CG 3.36Å; F679-L683 PolarHBondContact O-N 3.44Å
680	I	97.7	Very high	96.6	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-63.8	-61.8	179.1	-59.1	172.9	0	0	0	110.5	F222 V225 F590 I591 C594 P677 I678 I682 M684	F222-I680 HydrophobicContact CD1-CG2 4.35Å; V225-I680 HydrophobicContact CG2-CD1 3.83Å; V225-I680 HydrophobicContact CG2-CG1 4.04Å; F590-I680 HydrophobicContact CD1-CD1 4.22Å; F590-I680 HydrophobicContact CE1-CD1 3.91Å; I591-I680 HydrophobicContact CG1-CD1 4.43Å; C594-I680 HydrophobicContact CB-CD1 3.95Å; P677-I680 WeakPolarHBondContact O-CB 3.18Å; P677-I680 PolarHBondContact O-N 3.15Å; I678-I680 PolarHBondContact O-N 3.39Å; I680-I682 PolarHBondContact O-N 3.48Å; I680-M684 HydrophobicContact CG2-CE 4.37Å; I680-M684 WeakPolarHBondContact O-CB 3.28Å; I680-M684 PolarHBondContact O-N 3.01Å
681	P	97.2	Very high	96.5	Very high	59 Å²	59	56 Å²	56	38%	0.383	29%	0.286	S	S	.	.	H	α-helix	trans	-65.4	-37.7	178.4	25.4	-34.2	0	0	0	113	P677 I678 M684 I685	P677-P681 VanDerWaalsContact O-CD 3.23Å; P677-P681 WeakPolarHBondContact O-CD 3.36Å; I678-P681 WeakPolarHBondContact O-CD 3.39Å; I678-P681 WeakPolarHBondContact O-CG 3.37Å; P681-M684 WeakPolarHBondContact O-CB 3.27Å; P681-M684 PolarHBondContact O-N 3.5Å; P681-I685 WeakPolarHBondContact O-CB 3.09Å; P681-I685 VanDerWaalsContact O-CG1 3.28Å; P681-I685 WeakPolarHBondContact O-CG1 3.3Å; P681-I685 PolarHBondContact O-N 3.18Å
682	I	97.4	Very high	96.3	Very high	90 Å²	90	63 Å²	63	46%	0.462	31%	0.307	S	S	.	.	H	α-helix	trans	-60.9	-50.7	179.6	-71.9	176.7	0	0	0	110.9	I678 I680 M684 I685 Y686	I678-I682 HydrophobicContact CD1-CD1 4.01Å; I678-I682 HydrophobicContact CG1-CD1 3.68Å; I678-I682 HydrophobicContact CG1-CG1 4.1Å; I678-I682 HydrophobicContact CG2-CD1 4.37Å; I678-I682 WeakPolarHBondContact O-CB 3.49Å; I678-I682 VanDerWaalsContact O-CG1 3.32Å; I678-I682 WeakPolarHBondContact O-CG1 3.25Å; I678-I682 PolarHBondContact O-N 3.39Å; I678-I682 VanDerWaalsContact O-N 3.12Å; I680-I682 PolarHBondContact O-N 3.48Å; I682-M684 VanDerWaalsContact C-N 3.34Å; I682-I685 PolarHBondContact O-N 2.83Å; I682-Y686 VanDerWaalsContact O-CB 3.29Å; I682-Y686 WeakPolarHBondContact O-CB 3.19Å; I682-Y686 PolarHBondContact O-N 3.44Å
683	L	97.3	Very high	96.2	Very high	32 Å²	32	64.2 Å²	64.2	17%	0.168	32%	0.322	C	S	.	.	H	α-helix	trans	-71.9	-30.5	-179.7	-67.3	-172	0	0	0	112.3	F227 F679 Y686 K687	F227-L683 HydrophobicContact CD2-CD1 3.55Å; F227-L683 HydrophobicContact CE2-CD1 3.67Å; F227-L683 HydrophobicContact CG-CD1 4.44Å; F679-L683 VanDerWaalsContact O-CB 3.3Å; F679-L683 WeakPolarHBondContact O-CB 3.41Å; F679-L683 WeakPolarHBondContact O-CG 3.36Å; F679-L683 PolarHBondContact O-N 3.44Å; L683-Y686 HydrophobicContact CD2-CD1 4.34Å; L683-K687 VanDerWaalsContact O-CB 3.27Å; L683-K687 WeakPolarHBondContact O-CB 3.06Å; L683-K687 VanDerWaalsContact O-CG 3.3Å; L683-K687 WeakPolarHBondContact O-CG 3.4Å; L683-K687 PolarHBondContact O-N 2.04Å
684	M	97.2	Very high	96.2	Very high	50 Å²	50	67.8 Å²	67.8	25%	0.246	34%	0.344	C	S	.	.	H	α-helix	trans	-58.7	-52.3	171.9	-176	177.4	-62.3	0	0	110.8	L221 F222 I680 P681 I682 L688	L221-M684 HydrophobicContact CD1-CB 4.44Å; L221-M684 HydrophobicContact CD1-CG 3.57Å; L221-M684 HydrophobicContact CD2-CE 4.42Å; L221-M684 HydrophobicContact CD2-CG 4.45Å; L221-M684 HydrophobicContact CG-CE 4.18Å; L221-M684 HydrophobicContact CG-CG 3.81Å; L221-M684 HydrophobicContact CG-SD 4.4Å; F222-M684 HydrophobicContact CE1-CE 4.41Å; F222-M684 HydrophobicContact CE2-CE 4.24Å; F222-M684 HydrophobicContact CZ-CE 4.14Å; I680-M684 HydrophobicContact CG2-CE 4.37Å; I680-M684 WeakPolarHBondContact O-CB 3.28Å; I680-M684 PolarHBondContact O-N 3.01Å; P681-M684 WeakPolarHBondContact O-CB 3.27Å; P681-M684 PolarHBondContact O-N 3.5Å; I682-M684 VanDerWaalsContact C-N 3.34Å; M684-L688 HydrophobicContact CG-CD1 4.15Å; M684-L688 WeakPolarHBondContact O-CB 3.41Å; M684-L688 WeakPolarHBondContact O-CD1 3.32Å; M684-L688 VanDerWaalsContact O-CG 3.3Å; M684-L688 WeakPolarHBondContact O-CG 3.47Å; M684-L688 PolarHBondContact O-N 3.48Å
685	I	96.9	Very high	96.1	Very high	100 Å²	100	69.5 Å²	69.5	51%	0.513	35%	0.351	S	S	.	.	H	α-helix	trans	-64.1	-50.1	178.2	-66.4	166.7	0	0	0	110.6	P681 I682 K687 L688 L689	P681-I685 WeakPolarHBondContact O-CB 3.09Å; P681-I685 VanDerWaalsContact O-CG1 3.28Å; P681-I685 WeakPolarHBondContact O-CG1 3.3Å; P681-I685 PolarHBondContact O-N 3.18Å; I682-I685 PolarHBondContact O-N 2.83Å; I685-K687 VanDerWaalsContact C-N 3.33Å; I685-K687 PolarHBondContact O-N 2.88Å; I685-L688 PolarHBondContact O-N 3.48Å; I685-L689 HydrophobicContact CG2-CD1 3.83Å; I685-L689 HydrophobicContact CG2-CG 4.26Å; I685-L689 WeakPolarHBondContact O-CG 3.41Å; I685-L689 PolarHBondContact O-N 3.21Å
686	Y	97.1	Very high	95.9	Very high	123 Å²	123	72.1 Å²	72.1	48%	0.482	37%	0.366	S	S	.	.	H	α-helix	trans	-56.8	-44.8	-179.5	169	-108.3	0	0	0	112.2	I682 L683 L689 K690	I682-Y686 VanDerWaalsContact O-CB 3.29Å; I682-Y686 WeakPolarHBondContact O-CB 3.19Å; I682-Y686 PolarHBondContact O-N 3.44Å; L683-Y686 HydrophobicContact CD2-CD1 4.34Å; Y686-L689 PolarHBondContact O-N 3.27Å; Y686-K690 HydrophobicContact CE1-CD 4.23Å; Y686-K690 HydrophobicContact CE2-CD 4.32Å; Y686-K690 WeakPolarHBondContact O-CB 3.04Å; Y686-K690 PolarHBondContact O-N 3.34Å; Y686-K690 PolarHBondContact OH-NZ 2.81Å; Y686-K690 VanDerWaalsContact OH-NZ 3.12Å
687	K	95.5	Very high	95.8	Very high	40 Å²	40	77.1 Å²	77.1	17%	0.174	39%	0.389	C	S	.	.	H	α-helix	trans	-68.6	-39.6	178.1	-74.8	-174.7	174.3	-170.6	0	112.5	P220 S223 L683 I685 L689 K690 A691 L702	P220-K687 WeakPolarHBondContact O-CD 3.14Å; P220-K687 WeakPolarHBondContact O-CE 3.45Å; P220-K687 PolarHBondContact O-NZ 2.71Å; S223-K687 VanDerWaalsContact CB-NZ 3.25Å; S223-K687 WeakPolarHBondContact OG-CE 3.2Å; S223-K687 PolarHBondContact OG-NZ 2.99Å; L683-K687 VanDerWaalsContact O-CB 3.27Å; L683-K687 WeakPolarHBondContact O-CB 3.06Å; L683-K687 VanDerWaalsContact O-CG 3.3Å; L683-K687 WeakPolarHBondContact O-CG 3.4Å; L683-K687 PolarHBondContact O-N 2.04Å; I685-K687 VanDerWaalsContact C-N 3.33Å; I685-K687 PolarHBondContact O-N 2.88Å; K687-L689 VanDerWaalsContact C-N 3.3Å; K687-L689 PolarHBondContact O-N 3.06Å; K687-K690 PolarHBondContact O-N 3.4Å; K687-A691 VanDerWaalsContact O-CB 3.31Å; K687-A691 WeakPolarHBondContact O-CB 3.1Å; K687-A691 PolarHBondContact O-N 3.11Å; K687-L702 HydrophobicContact CB-CD1 3.92Å; K687-L702 HydrophobicContact CB-CD2 3.92Å; K687-L702 HydrophobicContact CD-CD2 4.2Å
688	L	95.8	Very high	95.8	Very high	33 Å²	33	80.1 Å²	80.1	17%	0.173	40%	0.399	C	S	.	.	H	α-helix	trans	-62.6	-36.3	174.5	-78	167	0	0	0	112.4	L221 M684 I685 F695 R698 L702	L221-L688 HydrophobicContact CD1-CD1 4.14Å; L221-L688 HydrophobicContact CD1-CD2 4.29Å; L221-L688 HydrophobicContact CD1-CG 3.96Å; M684-L688 HydrophobicContact CG-CD1 4.15Å; M684-L688 WeakPolarHBondContact O-CB 3.41Å; M684-L688 WeakPolarHBondContact O-CD1 3.32Å; M684-L688 VanDerWaalsContact O-CG 3.3Å; M684-L688 WeakPolarHBondContact O-CG 3.47Å; M684-L688 PolarHBondContact O-N 3.48Å; I685-L688 PolarHBondContact O-N 3.48Å; L688-F695 HydrophobicContact CD2-CE2 4.41Å; L688-R698 WeakPolarHBondContact O-CD 3.42Å; L688-R698 PolarHBondContact O-NH1 3.15Å; L688-L702 HydrophobicContact CD2-CD1 3.8Å; L688-L702 HydrophobicContact CG-CD1 3.97Å
689	L	95.6	Very high	95.7	Very high	128 Å²	128	79.3 Å²	79.3	67%	0.67	40%	0.395	S	S	*	.	H	α-helix	trans	-73.4	-36.8	176	-66.8	176.6	0	0	0	112.3	I685 Y686 K687	I685-L689 HydrophobicContact CG2-CD1 3.83Å; I685-L689 HydrophobicContact CG2-CG 4.26Å; I685-L689 WeakPolarHBondContact O-CG 3.41Å; I685-L689 PolarHBondContact O-N 3.21Å; Y686-L689 PolarHBondContact O-N 3.27Å; K687-L689 VanDerWaalsContact C-N 3.3Å; K687-L689 PolarHBondContact O-N 3.06Å
690	K	95.3	Very high	95.5	Very high	140 Å²	140	84 Å²	84	61%	0.609	41%	0.411	S	S	*	.	H	α-helix	trans	-79.5	-28.9	-178.3	-170.8	173	-176.4	174.3	0	114	Y686 K687	Y686-K690 HydrophobicContact CE1-CD 4.23Å; Y686-K690 HydrophobicContact CE2-CD 4.32Å; Y686-K690 WeakPolarHBondContact O-CB 3.04Å; Y686-K690 PolarHBondContact O-N 3.34Å; Y686-K690 PolarHBondContact OH-NZ 2.81Å; Y686-K690 VanDerWaalsContact OH-NZ 3.12Å; K687-K690 PolarHBondContact O-N 3.4Å
691	A	93.4	Very high	95.3	Very high	16 Å²	16	89.5 Å²	89.5	13%	0.132	44%	0.435	C	S	.	.	S	Bend	trans	-63.7	140.9	180	0	0	0	0	0	111.3	K687 R698 L702	K687-A691 VanDerWaalsContact O-CB 3.31Å; K687-A691 WeakPolarHBondContact O-CB 3.1Å; K687-A691 PolarHBondContact O-N 3.11Å; A691-R698 HydrophobicContact CB-CB 3.83Å; A691-R698 HydrophobicContact CB-CG 3.66Å; A691-R698 WeakPolarHBondContact O-CD 3.45Å; A691-R698 PolarHBondContact O-NE 2.76Å; A691-R698 VanDerWaalsContact O-NE 3.07Å; A691-L702 HydrophobicContact CB-CD1 4.32Å
692	K	92.8	Very high	95.2	Very high	200 Å²	200	87 Å²	87	87%	0.87	42%	0.419	S	S	*	.			trans	-87	152.1	178.9	-63.1	-176.3	179.5	-178.3	0	110.7
693	G	94.6	Very high	95.1	Very high	37 Å²	37	85.1 Å²	85.1	38%	0.381	41%	0.409	S	S	.	.	S	Bend	trans	106.6	-171.3	179.5	0	0	0	0	0	113.7	E697 R698	G693-E697 VanDerWaalsContact CA-OE2 3.31Å; G693-E697 WeakPolarHBondContact CA-OE2 3.23Å; G693-R698 PolarHBondContact O-NE 3.22Å; G693-R698 PolarHBondContact O-NH2 3.45Å
694	T	94.9	Very high	94.9	Very high	80 Å²	80	87.1 Å²	87.1	49%	0.491	42%	0.422	S	S	.	.			trans	-69.5	161.8	171.9	63.4	0	0	0	0	111.3	V696 E697 R698	T694-V696 PolarHBondContact O-N 3.17Å; T694-E697 PolarHBondContact N-OE2 3.4Å; T694-E697 PolarHBondContact O-N 3.26Å; T694-E697 VanDerWaalsContact O-N 3.1Å; T694-E697 VanDerWaalsContact OG1-CD 3.29Å; T694-E697 VanDerWaalsContact OG1-CG 3.24Å; T694-E697 WeakPolarHBondContact OG1-CG 3.46Å; T694-E697 PolarHBondContact OG1-N 3.28Å; T694-E697 PolarHBondContact OG1-OE2 2.89Å; T694-R698 VanDerWaalsContact O-CG 3.27Å; T694-R698 WeakPolarHBondContact O-CG 3.32Å; T694-R698 PolarHBondContact O-N 3.3Å
695	F	94.3	Very high	94.6	Very high	139 Å²	139	85.8 Å²	85.8	61%	0.61	42%	0.418	S	S	*	.	H	α-helix	trans	-53.5	-41.6	178.7	-179.8	-99.8	0	0	0	112.8	L688 R698 L699	L688-F695 HydrophobicContact CD2-CE2 4.41Å; F695-R698 PolarHBondContact O-N 3.03Å; F695-L699 HydrophobicContact CE1-CD2 4.43Å; F695-L699 WeakPolarHBondContact O-CB 3.5Å; F695-L699 PolarHBondContact O-N 3.04Å
696	V	94.3	Very high	94.2	Very high	89 Å²	89	84.7 Å²	84.7	54%	0.539	41%	0.41	S	S	.	.	H	α-helix	trans	-66.6	-41.1	178.6	178.7	0	0	0	0	111.8	T694 L699 R700	T694-V696 PolarHBondContact O-N 3.17Å; V696-L699 PolarHBondContact O-N 3.44Å; V696-R700 VanDerWaalsContact O-CB 3.27Å; V696-R700 WeakPolarHBondContact O-CB 3.15Å; V696-R700 PolarHBondContact O-N 3.29Å
697	E	94.5	Very high	93.2	Very high	105 Å²	105	85.8 Å²	85.8	49%	0.491	42%	0.424	S	S	.	.	H	α-helix	trans	-65.6	-42.6	176.4	-72.1	166.5	156.2	0	0	111.7	G693 T694 R700 F701	G693-E697 VanDerWaalsContact CA-OE2 3.31Å; G693-E697 WeakPolarHBondContact CA-OE2 3.23Å; T694-E697 PolarHBondContact N-OE2 3.4Å; T694-E697 PolarHBondContact O-N 3.26Å; T694-E697 VanDerWaalsContact O-N 3.1Å; T694-E697 VanDerWaalsContact OG1-CD 3.29Å; T694-E697 VanDerWaalsContact OG1-CG 3.24Å; T694-E697 WeakPolarHBondContact OG1-CG 3.46Å; T694-E697 PolarHBondContact OG1-N 3.28Å; T694-E697 PolarHBondContact OG1-OE2 2.89Å; E697-R700 PolarHBondContact O-N 3.33Å; E697-F701 VanDerWaalsContact O-CB 3.27Å; E697-F701 WeakPolarHBondContact O-CB 3.02Å; E697-F701 PolarHBondContact O-N 3.48Å
698	R	95.5	Very high	92	Very high	75 Å²	75	84.9 Å²	84.9	28%	0.283	42%	0.42	S	S	.	.	H	α-helix	trans	-61.5	-47	175.9	-65.1	178.9	-157.8	-165.1	-1.3	111.2	L688 A691 G693 T694 F695 F701 L702	L688-R698 WeakPolarHBondContact O-CD 3.42Å; L688-R698 PolarHBondContact O-NH1 3.15Å; A691-R698 HydrophobicContact CB-CB 3.83Å; A691-R698 HydrophobicContact CB-CG 3.66Å; A691-R698 WeakPolarHBondContact O-CD 3.45Å; A691-R698 PolarHBondContact O-NE 2.76Å; A691-R698 VanDerWaalsContact O-NE 3.07Å; G693-R698 PolarHBondContact O-NE 3.22Å; G693-R698 PolarHBondContact O-NH2 3.45Å; T694-R698 VanDerWaalsContact O-CG 3.27Å; T694-R698 WeakPolarHBondContact O-CG 3.32Å; T694-R698 PolarHBondContact O-N 3.3Å; F695-R698 PolarHBondContact O-N 3.03Å; R698-F701 PolarHBondContact O-N 3.32Å; R698-L702 WeakPolarHBondContact O-CB 3.37Å; R698-L702 VanDerWaalsContact O-CG 3.28Å; R698-L702 WeakPolarHBondContact O-CG 3.4Å; R698-L702 PolarHBondContact O-N 3Å
699	L	94.8	Very high	90.5	Very high	60 Å²	60	85.6 Å²	85.6	31%	0.314	43%	0.426	S	S	.	.	H	α-helix	trans	-62.2	-49.4	178.2	-176.3	62.8	0	0	0	110.5	L221 F695 V696 F701 L702 I703	L221-L699 HydrophobicContact CD2-CD1 4.04Å; F695-L699 HydrophobicContact CE1-CD2 4.43Å; F695-L699 WeakPolarHBondContact O-CB 3.5Å; F695-L699 PolarHBondContact O-N 3.04Å; V696-L699 PolarHBondContact O-N 3.44Å; L699-F701 VanDerWaalsContact C-N 3.3Å; L699-F701 PolarHBondContact O-N 3.49Å; L699-L702 PolarHBondContact O-N 3.26Å; L699-L702 VanDerWaalsContact O-N 3.15Å; L699-I703 HydrophobicContact CD1-CG2 4.09Å; L699-I703 WeakPolarHBondContact O-CG1 3.46Å; L699-I703 WeakPolarHBondContact O-CG2 3.34Å; L699-I703 PolarHBondContact O-N 3.49Å
700	R	93.8	Very high	88.6	Confident	164 Å²	164	83.2 Å²	83.2	62%	0.619	43%	0.425	S	S	*	.	H	α-helix	trans	-57.1	-43.6	177.4	-172.3	-177.4	-65.5	167.7	-0.2	111.6	V696 E697 I703 T704	V696-R700 VanDerWaalsContact O-CB 3.27Å; V696-R700 WeakPolarHBondContact O-CB 3.15Å; V696-R700 PolarHBondContact O-N 3.29Å; E697-R700 PolarHBondContact O-N 3.33Å; R700-I703 WeakPolarHBondContact O-CG1 3.38Å; R700-T704 WeakPolarHBondContact O-CB 3.45Å; R700-T704 PolarHBondContact O-N 3.36Å; R700-T704 PolarHBondContact O-OG1 3.44Å
701	F	93.6	Very high	86.7	Confident	119 Å²	119	78.4 Å²	78.4	52%	0.522	40%	0.404	S	S	.	.	H	α-helix	trans	-62.6	-43.5	177.2	177.5	-104.1	0	0	0	112.2	E697 R698 L699 T704	E697-F701 VanDerWaalsContact O-CB 3.27Å; E697-F701 WeakPolarHBondContact O-CB 3.02Å; E697-F701 PolarHBondContact O-N 3.48Å; R698-F701 PolarHBondContact O-N 3.32Å; L699-F701 VanDerWaalsContact C-N 3.3Å; L699-F701 PolarHBondContact O-N 3.49Å; F701-T704 PolarHBondContact O-N 3.1Å
702	L	95	Very high	84.6	Confident	8 Å²	8	79.7 Å²	79.7	4%	0.042	42%	0.418	C	S	.	.	H	α-helix	trans	-79.2	-18.8	-175.9	-68.2	171.6	0	0	0	114.8	P220 L221 K687 L688 A691 R698 L699	P220-L702 HydrophobicContact CB-CD2 4.09Å; P220-L702 WeakPolarHBondContact CB-O 3.19Å; P220-L702 WeakPolarHBondContact CD-O 3.41Å; L221-L702 HydrophobicContact CB-CB 4.13Å; L221-L702 HydrophobicContact CD1-CB 4.08Å; L221-L702 HydrophobicContact CD1-CD1 4.02Å; L221-L702 PolarHBondContact N-O 3.09Å; K687-L702 HydrophobicContact CB-CD1 3.92Å; K687-L702 HydrophobicContact CB-CD2 3.92Å; K687-L702 HydrophobicContact CD-CD2 4.2Å; L688-L702 HydrophobicContact CD2-CD1 3.8Å; L688-L702 HydrophobicContact CG-CD1 3.97Å; A691-L702 HydrophobicContact CB-CD1 4.32Å; R698-L702 WeakPolarHBondContact O-CB 3.37Å; R698-L702 VanDerWaalsContact O-CG 3.28Å; R698-L702 WeakPolarHBondContact O-CG 3.4Å; R698-L702 PolarHBondContact O-N 3Å; L699-L702 PolarHBondContact O-N 3.26Å; L699-L702 VanDerWaalsContact O-N 3.15Å
703	I	94.6	Very high	82.6	Confident	50 Å²	50	74.4 Å²	74.4	26%	0.256	40%	0.399	S	S	.	.	H	α-helix	trans	-91.6	-9.8	170.7	69.2	-176.4	0	0	0	112.5	L221 F602 L699 R700	L221-I703 HydrophobicContact CD2-CG2 4.05Å; F602-I703 HydrophobicContact CD1-CB 4.01Å; F602-I703 HydrophobicContact CD1-CG2 3.65Å; F602-I703 HydrophobicContact CE1-CG2 3.86Å; L699-I703 HydrophobicContact CD1-CG2 4.09Å; L699-I703 WeakPolarHBondContact O-CG1 3.46Å; L699-I703 WeakPolarHBondContact O-CG2 3.34Å; L699-I703 PolarHBondContact O-N 3.49Å; R700-I703 WeakPolarHBondContact O-CG1 3.38Å
704	T	93.1	Very high	80.6	Confident	73 Å²	73	72.9 Å²	72.9	45%	0.448	38%	0.382	S	S	.	.	S	Bend	trans	-78.8	126.9	177.1	-61.9	0	0	0	0	109	P220 R700 F701	P220-T704 WeakPolarHBondContact CD-O 3.5Å; R700-T704 WeakPolarHBondContact O-CB 3.45Å; R700-T704 PolarHBondContact O-N 3.36Å; R700-T704 PolarHBondContact O-OG1 3.44Å; F701-T704 PolarHBondContact O-N 3.1Å
705	P	91.1	Very high	78.4	Confident	23 Å²	23	73.4 Å²	73.4	15%	0.149	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-63.3	142	178.5	-23.7	36.4	0	0	0	111.8	R217 I218 Y603	R217-P705 CarbonylContact O-C 3.27Å; R217-P705 WeakPolarHBondContact O-CA 3.33Å; R217-P705 WeakPolarHBondContact O-CB 3.18Å; I218-P705 WeakPolarHBondContact O-CG 3.15Å; Y603-P705 HydrophobicContact CD2-CB 3.77Å; Y603-P705 HydrophobicContact CD2-CG 3.35Å; Y603-P705 HydrophobicContact CE2-CB 3.8Å; Y603-P705 HydrophobicContact CE2-CG 3.76Å; Y603-P705 HydrophobicContact CG-CG 4.39Å
706	E	88.7	Confident	76.4	Confident	76 Å²	76	68.1 Å²	68.1	36%	0.355	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-73.9	155.4	173	-61	-179	172.6	0	0	110.6	K216 R217 P220	K216-E706 VanDerWaalsContact CE-OE1 3.25Å; K216-E706 WeakPolarHBondContact CE-OE1 2.88Å; K216-E706 WeakPolarHBondContact CE-OE2 3.27Å; K216-E706 IonicContact NZ-OE2 3.92Å; R217-E706 HydrophobicContact CB-CB 4.48Å; R217-E706 HydrophobicContact CG-CB 4.31Å; R217-E706 PolarHBondContact O-N 3.2Å; P220-E706 HydrophobicContact CG-CG 4.03Å
707	D	75.4	Confident	74.3	Confident	146 Å²	146	65 Å²	65	78%	0.781	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-63.3	139	176.3	-65.2	-44.7	0	0	0	111.1
708	R	70.4	Confident	71.8	Confident	22 Å²	22	64.2 Å²	64.2	8%	0.083	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-82	139	172.9	57.9	178.1	-90.7	-171.6	-1.6	109.8	Y206 Y724	Y206-R708 PolarHBondContact OH-NH1 3.35Å; R708-Y724 VanDerWaalsContact CD-CE2 3.46Å; R708-Y724 HydrophobicContact CG-CD2 4.37Å; R708-Y724 HydrophobicContact CG-CE1 4.15Å; R708-Y724 HydrophobicContact CG-CE2 3.47Å; R708-Y724 VanDerWaalsContact CG-CE2 3.47Å; R708-Y724 WeakPolarHBondContact CG-OH 3.5Å; R708-Y724 PolarHBondContact O-OH 3.44Å
709	P	65	Low	69.4	Low	47 Å²	47	62.9 Å²	62.9	31%	0.305	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-63.1	143.3	170.7	24.1	-30.2	0	0	0	110.7	Y711	P709-Y711 HydrophobicContact CB-CE2 4.44Å; P709-Y711 HydrophobicContact CG-CE2 3.77Å; P709-Y711 PolarHBondContact O-N 2.9Å
710	A	55.3	Low	66.6	Low	79 Å²	79	65.4 Å²	65.4	65%	0.653	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-77.1	117.8	171.5	0	0	0	0	0	109.2
711	Y	56.2	Low	64.2	Low	39 Å²	39	63.3 Å²	63.3	15%	0.153	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-97.1	131.5	170	-62.8	-88.7	0	0	0	109.3	R143 R208 P709 D713 Q714	R143-Y711 HydrophobicContact CB-CE1 4.48Å; R208-Y711 HydrophobicContact CB-CE2 3.94Å; R208-Y711 PolarHBondContact O-OH 3.36Å; P709-Y711 HydrophobicContact CB-CE2 4.44Å; P709-Y711 HydrophobicContact CG-CE2 3.77Å; P709-Y711 PolarHBondContact O-N 2.9Å; Y711-D713 PolarHBondContact O-N 3.36Å; Y711-Q714 WeakPolarHBondContact O-CB 3.4Å; Y711-Q714 PolarHBondContact O-N 2.79Å
712	G	49	Very low	61.8	Low	42 Å²	42	60 Å²	60	43%	0.433	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-57	-23.7	-177.4	0	0	0	0	0	115	N113 Q714	N113-G712 PolarHBondContact ND2-O 3.21Å; G712-Q714 VanDerWaalsContact C-N 3.3Å; G712-Q714 PolarHBondContact O-N 2.86Å
713	D	50.6	Low	59.4	Low	89 Å²	89	65.1 Å²	65.1	48%	0.476	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-78.5	-9.2	179.4	-52	-30.3	0	0	0	113.9	R208 Y711 Q715	R208-D713 IonicContact NH1-OD2 2.75Å; R208-D713 PolarHBondContact NH1-OD2 2.99Å; Y711-D713 PolarHBondContact O-N 3.36Å; D713-Q715 PolarHBondContact O-N 3.23Å
714	Q	52.9	Low	57.3	Low	5 Å²	5	64.8 Å²	64.8	2%	0.023	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-81.7	-12.4	-162.7	-77.5	176.8	-24.1	0	0	114.8	F442 Y711 G712 I716	F442-Q714 HydrophobicContact CB-CG 4.4Å; F442-Q714 HydrophobicContact CD2-CG 4.04Å; F442-Q714 HydrophobicContact CG-CG 4.25Å; Y711-Q714 WeakPolarHBondContact O-CB 3.4Å; Y711-Q714 PolarHBondContact O-N 2.79Å; G712-Q714 VanDerWaalsContact C-N 3.3Å; G712-Q714 PolarHBondContact O-N 2.86Å; Q714-I716 HydrophobicContact CB-CB 4.48Å; Q714-I716 HydrophobicContact CB-CD1 4.18Å; Q714-I716 VanDerWaalsContact O-CG1 3.26Å; Q714-I716 WeakPolarHBondContact O-CG1 3.45Å; Q714-I716 PolarHBondContact O-N 3.45Å
715	Q	48.8	Very low	55.2	Low	91 Å²	91	63.5 Å²	63.5	43%	0.425	38%	0.381	S	S	.	.			trans	40.4	46.5	-173.8	-67.4	-169.2	-8.8	0	0	111.5	D713 K727	D713-Q715 PolarHBondContact O-N 3.23Å; Q715-K727 HydrophobicContact CB-CB 4.05Å; Q715-K727 VanDerWaalsContact O-CB 3.23Å; Q715-K727 WeakPolarHBondContact O-CB 2.99Å; Q715-K727 PolarHBondContact O-N 2.97Å
716	I	52.8	Low	53.2	Low	29 Å²	29	66 Å²	66	15%	0.149	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	138.2	176.7	-68.9	160.8	0	0	0	107.3	F442 Q714 Y724 V725	F442-I716 HydrophobicContact CD1-CD1 3.9Å; F442-I716 HydrophobicContact CD2-CD1 4.36Å; F442-I716 HydrophobicContact CE1-CD1 3.18Å; F442-I716 HydrophobicContact CE1-CG1 4.06Å; F442-I716 HydrophobicContact CE2-CD1 3.71Å; F442-I716 HydrophobicContact CG-CD1 4.46Å; F442-I716 HydrophobicContact CZ-CD1 3.08Å; F442-I716 HydrophobicContact CZ-CG1 4.36Å; Q714-I716 HydrophobicContact CB-CB 4.48Å; Q714-I716 HydrophobicContact CB-CD1 4.18Å; Q714-I716 VanDerWaalsContact O-CG1 3.26Å; Q714-I716 WeakPolarHBondContact O-CG1 3.45Å; Q714-I716 PolarHBondContact O-N 3.45Å; I716-Y724 HydrophobicContact CG2-CD1 3.59Å; I716-Y724 HydrophobicContact CG2-CG 4.01Å; I716-V725 CarbonylContact C-O 3.54Å; I716-V725 VanDerWaalsContact CA-O 3.23Å; I716-V725 WeakPolarHBondContact CA-O 3.13Å; I716-V725 VanDerWaalsContact CG2-O 3.32Å; I716-V725 WeakPolarHBondContact CG2-O 3.28Å
717	T	48.3	Very low	51.3	Low	24 Å²	24	64.7 Å²	64.7	15%	0.147	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	158.3	173.1	61.3	0	0	0	0	109.9	Y109 Y724 V725 K727	Y109-T717 HydrophobicContact CD1-CG2 4.32Å; Y109-T717 HydrophobicContact CE1-CG2 3.75Å; Y109-T717 HydrophobicContact CE2-CG2 4.29Å; Y109-T717 WeakPolarHBondContact OH-CB 3.33Å; T717-Y724 CarbonylContact O-C 3.55Å; T717-Y724 WeakPolarHBondContact O-CA 3.14Å; T717-V725 PolarHBondContact N-O 3.09Å; T717-V725 WeakPolarHBondContact O-CG2 3.2Å; T717-V725 PolarHBondContact O-N 2.98Å; T717-K727 HydrophobicContact CG2-CB 4.32Å; T717-K727 HydrophobicContact CG2-CD 4.36Å; T717-K727 HydrophobicContact CG2-CG 3.94Å
718	L	43.4	Very low	49.7	Very low	88 Å²	88	66.4 Å²	66.4	46%	0.461	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	132.8	168.3	-76	157.3	0	0	0	108.6	G722 E723 Y724	L718-G722 VanDerWaalsContact CD2-O 3.27Å; L718-G722 WeakPolarHBondContact CD2-O 3.48Å; L718-E723 CarbonylContact C-O 3.6Å; L718-E723 WeakPolarHBondContact CA-O 3.47Å; L718-Y724 HydrophobicContact CD1-CE1 4.42Å; L718-Y724 HydrophobicContact CD2-CD1 4.02Å; L718-Y724 HydrophobicContact CD2-CD2 4.32Å; L718-Y724 HydrophobicContact CD2-CE1 3.85Å; L718-Y724 HydrophobicContact CD2-CE2 4.12Å; L718-Y724 HydrophobicContact CD2-CG 4.27Å; L718-Y724 HydrophobicContact CG-CD1 4.14Å; L718-Y724 HydrophobicContact CG-CE1 3.87Å
719	N	43.9	Very low	48	Very low	47 Å²	47	70.2 Å²	70.2	25%	0.251	42%	0.417	S	S	.	.			trans	-78.7	174.1	168.2	74	11.1	0	0	0	110.9	V721 G722 E723 V725	N719-V721 PolarHBondContact O-N 3.48Å; N719-V721 WeakPolarHBondContact OD1-CA 3.29Å; N719-V721 PolarHBondContact OD1-N 3.11Å; N719-G722 PolarHBondContact O-N 3.2Å; N719-G722 PolarHBondContact OD1-N 2.72Å; N719-E723 PolarHBondContact N-O 3.49Å; N719-E723 PolarHBondContact ND2-OE2 3.39Å; N719-E723 PolarHBondContact OD1-N 3.41Å; N719-E723 PolarHBondContact OD1-O 3.47Å; N719-V725 HydrophobicContact CB-CG1 4Å; N719-V725 HydrophobicContact CB-CG2 3.99Å
720	A	37.7	Very low	46.3	Very low	112 Å²	112	75.8 Å²	75.8	93%	0.926	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-14.2	-179.4	0	0	0	0	0	114.8
721	V	43.2	Very low	45	Very low	120 Å²	120	80.8 Å²	80.8	73%	0.727	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	2.9	179.9	-155.4	0	0	0	0	111.6	N719	N719-V721 PolarHBondContact O-N 3.48Å; N719-V721 WeakPolarHBondContact OD1-CA 3.29Å; N719-V721 PolarHBondContact OD1-N 3.11Å
722	G	42.8	Very low	43.8	Very low	50 Å²	50	83.9 Å²	83.9	52%	0.515	47%	0.466	S	S	.	.	S	Bend	trans	79.6	15.2	-178.9	0	0	0	0	0	114.2	L718 N719	L718-G722 VanDerWaalsContact CD2-O 3.27Å; L718-G722 WeakPolarHBondContact CD2-O 3.48Å; N719-G722 PolarHBondContact O-N 3.2Å; N719-G722 PolarHBondContact OD1-N 2.72Å
723	E	44.3	Very low	42.9	Very low	115 Å²	115	88.2 Å²	88.2	54%	0.537	48%	0.48	S	S	.	.			trans	-91	138.2	172.7	-52.6	179.2	140.6	0	0	110.4	L718 N719 V725	L718-E723 CarbonylContact C-O 3.6Å; L718-E723 WeakPolarHBondContact CA-O 3.47Å; N719-E723 PolarHBondContact N-O 3.49Å; N719-E723 PolarHBondContact ND2-OE2 3.39Å; N719-E723 PolarHBondContact OD1-N 3.41Å; N719-E723 PolarHBondContact OD1-O 3.47Å; E723-V725 PolarHBondContact O-N 3.1Å
724	Y	50.7	Low	41.9	Very low	44 Å²	44	93.9 Å²	93.9	17%	0.173	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	127.2	171.5	-72.5	-72.8	0	0	0	110	M614 R708 I716 T717 L718	M614-Y724 WeakPolarHBondContact CE-O 3.49Å; R708-Y724 VanDerWaalsContact CD-CE2 3.46Å; R708-Y724 HydrophobicContact CG-CD2 4.37Å; R708-Y724 HydrophobicContact CG-CE1 4.15Å; R708-Y724 HydrophobicContact CG-CE2 3.47Å; R708-Y724 VanDerWaalsContact CG-CE2 3.47Å; R708-Y724 WeakPolarHBondContact CG-OH 3.5Å; R708-Y724 PolarHBondContact O-OH 3.44Å; I716-Y724 HydrophobicContact CG2-CD1 3.59Å; I716-Y724 HydrophobicContact CG2-CG 4.01Å; T717-Y724 CarbonylContact O-C 3.55Å; T717-Y724 WeakPolarHBondContact O-CA 3.14Å; L718-Y724 HydrophobicContact CD1-CE1 4.42Å; L718-Y724 HydrophobicContact CD2-CD1 4.02Å; L718-Y724 HydrophobicContact CD2-CD2 4.32Å; L718-Y724 HydrophobicContact CD2-CE1 3.85Å; L718-Y724 HydrophobicContact CD2-CE2 4.12Å; L718-Y724 HydrophobicContact CD2-CG 4.27Å; L718-Y724 HydrophobicContact CG-CD1 4.14Å; L718-Y724 HydrophobicContact CG-CE1 3.87Å
725	V	49.2	Very low	40.8	Very low	45 Å²	45	104.6 Å²	104.6	27%	0.273	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126	147.9	176.3	-70.7	0	0	0	0	110.3	I716 T717 N719 E723 K727	I716-V725 CarbonylContact C-O 3.54Å; I716-V725 VanDerWaalsContact CA-O 3.23Å; I716-V725 WeakPolarHBondContact CA-O 3.13Å; I716-V725 VanDerWaalsContact CG2-O 3.32Å; I716-V725 WeakPolarHBondContact CG2-O 3.28Å; T717-V725 PolarHBondContact N-O 3.09Å; T717-V725 WeakPolarHBondContact O-CG2 3.2Å; T717-V725 PolarHBondContact O-N 2.98Å; N719-V725 HydrophobicContact CB-CG1 4Å; N719-V725 HydrophobicContact CB-CG2 3.99Å; E723-V725 PolarHBondContact O-N 3.1Å; V725-K727 PolarHBondContact O-N 3.13Å
726	P	49.4	Very low	40.4	Very low	76 Å²	76	105.3 Å²	105.3	49%	0.494	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-56.2	132.6	171.7	-20	30.6	0	0	0	110.4	K728	P726-K728 PolarHBondContact O-N 3.41Å; P726-K728 VanDerWaalsContact O-N 3.08Å
727	K	47.6	Very low	39.7	Very low	48 Å²	48	109.3 Å²	109.3	21%	0.209	59%	0.585	C	S	.	*			trans	-60.7	112.8	170	-157.7	177.3	-167.7	-166.1	0	105.7	N113 Q715 T717 V725 T729	N113-K727 PolarHBondContact OD1-NZ 3.5Å; Q715-K727 HydrophobicContact CB-CB 4.05Å; Q715-K727 VanDerWaalsContact O-CB 3.23Å; Q715-K727 WeakPolarHBondContact O-CB 2.99Å; Q715-K727 PolarHBondContact O-N 2.97Å; T717-K727 HydrophobicContact CG2-CB 4.32Å; T717-K727 HydrophobicContact CG2-CD 4.36Å; T717-K727 HydrophobicContact CG2-CG 3.94Å; V725-K727 PolarHBondContact O-N 3.13Å; K727-T729 PolarHBondContact O-N 2.91Å
728	K	42	Very low	39.2	Very low	183 Å²	183	114.1 Å²	114.1	80%	0.796	61%	0.609	S	S	*	*			trans	-60	106.9	173.6	-77.1	-177.1	180	174.7	0	107.1	P726 F730	P726-K728 PolarHBondContact O-N 3.41Å; P726-K728 VanDerWaalsContact O-N 3.08Å; K728-F730 VanDerWaalsContact C-N 3.3Å; K728-F730 PolarHBondContact O-N 3.37Å
729	T	34.2	Very low	39	Very low	102 Å²	102	115.6 Å²	115.6	63%	0.626	62%	0.618	S	S	*	*			trans	-68.8	96.8	162.9	14.7	0	0	0	0	105.9	K727 K731	K727-T729 PolarHBondContact O-N 2.91Å; T729-K731 VanDerWaalsContact C-N 3.29Å; T729-K731 PolarHBondContact O-N 3.07Å
730	F	29.4	Very low	38.7	Very low	164 Å²	164	119.9 Å²	119.9	72%	0.719	64%	0.641	S	S	*	*			trans	-59.9	105.4	157.6	-92.8	-87.3	0	0	0	105.2	K728 T732	K728-F730 VanDerWaalsContact C-N 3.3Å; K728-F730 PolarHBondContact O-N 3.37Å; F730-T732 PolarHBondContact O-N 3.09Å
731	K	28.1	Very low	38.8	Very low	184 Å²	184	120.4 Å²	120.4	80%	0.8	62%	0.622	S	S	*	*			trans	-58.9	101	157.1	-81	-175.4	176.8	-179.3	0	104.2	T729 N733	T729-K731 VanDerWaalsContact C-N 3.29Å; T729-K731 PolarHBondContact O-N 3.07Å; K731-N733 PolarHBondContact O-N 3.14Å
732	T	31.5	Very low	38.4	Very low	103 Å²	103	120.4 Å²	120.4	63%	0.632	61%	0.614	S	S	*	*			trans	-58.4	93.6	159	46.2	0	0	0	0	104.9	F730 K734	F730-T732 PolarHBondContact O-N 3.09Å; T732-K734 PolarHBondContact O-N 2.91Å
733	N	30.2	Very low	38.1	Very low	133 Å²	133	125.8 Å²	125.8	71%	0.711	62%	0.622	S	S	*	*			trans	-58.1	104	159.2	-79.7	-14.5	0	0	0	103.8	K731 L735	K731-N733 PolarHBondContact O-N 3.14Å; N733-L735 PolarHBondContact O-N 2.91Å
734	K	30.3	Very low	37.6	Very low	208 Å²	208	126.8 Å²	126.8	90%	0.904	63%	0.629	S	S	*	*			trans	-55.2	110.1	165.2	-80.4	-177.1	171.7	-176.9	0	105.9	T732	T732-K734 PolarHBondContact O-N 2.91Å
735	L	28.7	Very low	36.4	Very low	231 Å²	231	134.3 Å²	134.3	100%	1.209	67%	0.67	S	S	*	*			trans	-125.4	0	167.1	-104.6	157.6	0	0	0	106.8	N733	N733-L735 PolarHBondContact O-N 2.91Å

Retrieved 735 of 735 residues in 230.9 ms (Link to these results)

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