A0A3Q0KUI8_SCHMA Loading...

Putative ankyrin repeat-containing

AlphaFold DB , UniProt , Accession A0A3Q0KUI8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 801 aa.

						>A0A3Q0KUI8_SCHMA|A0A3Q0KUI8
MKNKKNPVIKVQSSDCSMVTINVPPELRKIEQILFASVKQNRFDLVNRIIEGHKCDINVRDSFDRTPLHLAASSGNLPMVKLLVEGRALVDPVDKFGITPLFWAVYNNYKNVAHYLLNMGAKHNRVTKQGFTILHFICESNALSILKYLHRKSQTLEYDTSDNNGMTPFLIAASKGNELLMEILVRRNCNINATDTYGRNALHFVSKNGHIDALYYLLSVELLKSKINELDNSGCSPIHLACENNQQHCVRLLLEAGANPDIETKTRDCPLIECSRRGFHKCIDLLIENKASREKTSKVGDTALHVAALCDLSDTIYFLFSRKFDLCAVNEDKQTPLHLAVSQNRLEAVEALLFCGASLDLKDKDSQTPLMIAAKANYTALVDMIIRADRWNKTYPVNAQKLIDEILQTQQTKYVTTRILDRKQTNSQSYRTREILSNGRKRLLNNKIDNQSNNENNDTTEDSESTHTYVGQHHDYPYHHCRHNTDNDENNNNDQIKLYDPYTTNRYSYPLISSNHSTIPNDHDPDDVIMTEFIDPFKQLQLEENNEQNNEIQFIVDHCSRTTASSESGSELSLGYEASRAWTRQRQHQHSNDHSLSLSQISISRDLSEPNIHREHYDRNDDYDDDYHQKHRSLSNLSSHIQGDEIYLPNGETIFRITDTLLAQSSKNMRLSNGYGLNLTHPFTFRAPCQNYADDMNVLFFEYSHRYAKPSDWKSLAKFWGFTLNDIAAIEYQDIGKNSYKEHTYRLLNIWLHGVNDNQSPLNELCLALTTIGRKRTMEQLRRRIKTLSKVHNNKHKCKLY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.9	Very low	32	Very low	241 Å²	241	156.8 Å²	156.8	100%	1.187	78%	0.78	S	S	*	*				0	92.4	0	-70.5	-180	170.2	0	0	109
2	K	32.3	Very low	31.8	Very low	206 Å²	206	154.8 Å²	154.8	90%	0.896	77%	0.767	S	S	*	*			trans	-96.9	109.6	172.2	-80	-176.7	175.6	179.9	0	107.2	K4	K2-K4 PolarHBondContact O-N 3.07Å
3	N	35.9	Very low	32.4	Very low	157 Å²	157	149.7 Å²	149.7	84%	0.84	76%	0.755	S	S	*	*			trans	-57.5	96.1	171.8	-84.9	-17.1	0	0	0	109	K5	N3-K5 VanDerWaalsContact C-N 3.26Å; N3-K5 PolarHBondContact O-N 2.98Å
4	K	35.5	Very low	32.4	Very low	196 Å²	196	143.9 Å²	143.9	85%	0.852	74%	0.736	S	S	*	*			trans	-67.1	92.6	162.2	-78.7	-175.9	174.9	-178.6	0	106.5	K2 N6	K2-K4 PolarHBondContact O-N 3.07Å; K4-N6 PolarHBondContact O-N 2.82Å
5	K	35.9	Very low	32.4	Very low	195 Å²	195	141 Å²	141	85%	0.848	72%	0.723	S	S	*	*			trans	-59.3	109.3	163.7	-75.9	-175.9	175.5	-178.1	0	106.3	N3	N3-K5 VanDerWaalsContact C-N 3.26Å; N3-K5 PolarHBondContact O-N 2.98Å
6	N	29.7	Very low	32.9	Very low	142 Å²	142	133.6 Å²	133.6	76%	0.759	69%	0.687	S	S	*	*			trans	-56.7	132.7	171.2	-80.9	-22.2	0	0	0	108.2	K4 V8	K4-N6 PolarHBondContact O-N 2.82Å; N6-V8 PolarHBondContact O-N 3.24Å
7	P	29	Very low	33.3	Very low	109 Å²	109	131.7 Å²	131.7	71%	0.708	69%	0.688	S	S	*	*			trans	-63.2	130.6	-179.8	25.8	-31.7	0	0	0	109	I9	P7-I9 PolarHBondContact O-N 3.28Å
8	V	32.9	Very low	34	Very low	137 Å²	137	131.9 Å²	131.9	83%	0.83	69%	0.687	S	S	*	*			trans	-64.8	99.9	171.2	179.6	0	0	0	0	106.6	N6 K10	N6-V8 PolarHBondContact O-N 3.24Å; V8-K10 PolarHBondContact O-N 3.14Å; V8-K10 VanDerWaalsContact O-N 3.08Å
9	I	28.5	Very low	35	Very low	124 Å²	124	126.2 Å²	126.2	64%	0.636	66%	0.658	S	S	*	*			trans	-64.5	110	173.9	-62.4	170.4	0	0	0	106.4	P7 V11	P7-I9 PolarHBondContact O-N 3.28Å; I9-V11 PolarHBondContact O-N 2.85Å
10	K	27.5	Very low	36.3	Very low	171 Å²	171	124.5 Å²	124.5	74%	0.743	65%	0.653	S	S	*	*			trans	-64.5	113.6	168.4	-84.8	-175.6	173.3	-178.2	0	107.4	V8 Q12	V8-K10 PolarHBondContact O-N 3.14Å; V8-K10 VanDerWaalsContact O-N 3.08Å; K10-Q12 PolarHBondContact O-N 2.72Å
11	V	31.7	Very low	37.7	Very low	47 Å²	47	120.2 Å²	120.2	29%	0.285	63%	0.631	S	S	.	*			trans	-68.4	112.8	167.4	179.5	0	0	0	0	106.1	I9 F96	I9-V11 PolarHBondContact O-N 2.85Å; V11-F96 HydrophobicContact CG2-CD1 3.79Å; V11-F96 HydrophobicContact CG2-CE1 3.63Å; V11-F96 HydrophobicContact CG2-CZ 4.25Å
12	Q	29.7	Very low	39.7	Very low	133 Å²	133	113 Å²	113	62%	0.621	60%	0.597	S	S	*	*			trans	-78.4	141.9	171.1	-68.6	-176.5	-8.8	0	0	107.9	K10 S14 D15	K10-Q12 PolarHBondContact O-N 2.72Å; Q12-S14 PolarHBondContact O-N 2.99Å; Q12-D15 PolarHBondContact O-N 3.41Å
13	S	40	Very low	41.8	Very low	88 Å²	88	105.2 Å²	105.2	62%	0.615	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-56.2	-21.4	-177.3	54.3	0	0	0	0	113.9	D15	S13-D15 VanDerWaalsContact C-N 3.3Å; S13-D15 PolarHBondContact O-N 3.04Å
14	S	32	Very low	43.7	Very low	69 Å²	69	99.2 Å²	99.2	48%	0.483	54%	0.536	S	S	.	.	G	3₁₀ helix	trans	-68.5	-21.9	176.4	52.6	0	0	0	0	114.3	Q12 C16 S17	Q12-S14 PolarHBondContact O-N 2.99Å; S14-C16 PolarHBondContact O-N 3.12Å; S14-S17 PolarHBondContact O-OG 3Å
15	D	33.3	Very low	45.6	Very low	100 Å²	100	95.6 Å²	95.6	54%	0.535	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-71.8	-9.6	-177.7	-73.2	-19.8	0	0	0	113.2	Q12 S13	Q12-D15 PolarHBondContact O-N 3.41Å; S13-D15 VanDerWaalsContact C-N 3.3Å; S13-D15 PolarHBondContact O-N 3.04Å
16	C	39.5	Very low	47.8	Very low	22 Å²	22	95 Å²	95	15%	0.149	53%	0.533	C	S	.	.	G	3₁₀ helix	trans	-94.2	-13.7	-176.5	-63.3	0	0	0	0	114.8	S14 W103 Y106	S14-C16 PolarHBondContact O-N 3.12Å; C16-W103 HydrophobicContact CB-CZ3 4.41Å; C16-Y106 HydrophobicContact CB-CD1 4.1Å; C16-Y106 HydrophobicContact CB-CE1 3.28Å
17	S	40.4	Very low	50.3	Low	102 Å²	102	89.8 Å²	89.8	71%	0.713	51%	0.505	S	S	*	.	S	Bend	trans	-77	-23.4	-173.4	64.9	0	0	0	0	113.9	S14	S14-S17 PolarHBondContact O-OG 3Å
18	M	45.4	Very low	53	Low	136 Å²	136	91 Å²	91	67%	0.67	50%	0.496	S	S	*	.	S	Bend	trans	-139.7	104.7	175.3	-91	-91.4	-69.2	0	0	107.8	T20	M18-T20 VanDerWaalsContact C-N 3.33Å; M18-T20 PolarHBondContact O-N 3.34Å
19	V	53.3	Low	55.6	Low	23 Å²	23	92.4 Å²	92.4	14%	0.139	49%	0.491	C	S	.	.			trans	-63.8	95.9	177.3	-172.1	0	0	0	0	108.8	I21 L70 S73 W103	V19-I21 PolarHBondContact O-N 2.89Å; V19-L70 HydrophobicContact CB-CD2 4.09Å; V19-L70 HydrophobicContact CG1-CD2 3.51Å; V19-S73 WeakPolarHBondContact CG2-OG 3.18Å; V19-W103 HydrophobicContact CG2-CE3 3.98Å; V19-W103 HydrophobicContact CG2-CH2 4.01Å; V19-W103 HydrophobicContact CG2-CZ3 3.55Å
20	T	61.3	Low	58.4	Low	91 Å²	91	88.8 Å²	88.8	56%	0.558	47%	0.472	S	S	*	.			trans	-72.1	93.2	179.2	42.4	0	0	0	0	109	M18 N22 R65	M18-T20 VanDerWaalsContact C-N 3.33Å; M18-T20 PolarHBondContact O-N 3.34Å; T20-N22 PolarHBondContact O-N 2.99Å; T20-R65 PolarHBondContact O-NH2 2.86Å
21	I	64	Low	61.4	Low	35 Å²	35	81.4 Å²	81.4	18%	0.179	44%	0.44	C	S	.	.			trans	-64	124	175.2	-50.6	170.6	0	0	0	108.5	V19 V23 F35 K39 D61 L70	V19-I21 PolarHBondContact O-N 2.89Å; I21-V23 HydrophobicContact CG2-CG2 3.4Å; I21-V23 VanDerWaalsContact CG2-CG2 3.4Å; I21-F35 HydrophobicContact CG2-CD1 4.28Å; I21-F35 HydrophobicContact CG2-CG 4.49Å; I21-K39 HydrophobicContact CD1-CB 3.73Å; I21-K39 HydrophobicContact CD1-CD 3.73Å; I21-K39 HydrophobicContact CD1-CG 3.71Å; I21-D61 HydrophobicContact CG2-CB 4.38Å; I21-L70 HydrophobicContact CD1-CD1 3.37Å; I21-L70 HydrophobicContact CD1-CD2 3.84Å; I21-L70 HydrophobicContact CD1-CG 4.23Å; I21-L70 HydrophobicContact CG1-CD1 3.78Å; I21-L70 HydrophobicContact CG1-CD2 3.52Å; I21-L70 HydrophobicContact CG1-CG 4.3Å
22	N	76.4	Confident	64.1	Low	89 Å²	89	82.8 Å²	82.8	48%	0.476	44%	0.443	S	S	.	.			trans	-117.9	96.1	169.1	179.3	19.4	0	0	0	107.6	T20 P24 D61 S62 F63	T20-N22 PolarHBondContact O-N 2.99Å; N22-P24 WeakPolarHBondContact O-CD 3.22Å; N22-D61 WeakPolarHBondContact O-CB 3.46Å; N22-S62 VanDerWaalsContact CB-OG 3.24Å; N22-S62 WeakPolarHBondContact CB-OG 3.38Å; N22-S62 PolarHBondContact ND2-OG 3.24Å; N22-S62 WeakPolarHBondContact O-CB 3.43Å; N22-S62 PolarHBondContact O-N 3.42Å; N22-S62 PolarHBondContact O-OG 3.43Å; N22-F63 HydrophobicContact CB-CD2 4.3Å; N22-F63 HydrophobicContact CB-CE2 3.85Å
23	V	76.4	Confident	66.9	Low	43 Å²	43	80.1 Å²	80.1	26%	0.261	43%	0.433	S	S	.	.			trans	-81.7	117.6	-176.3	-171.5	0	0	0	0	107.9	I21 L27 Q32 F35	I21-V23 HydrophobicContact CG2-CG2 3.4Å; I21-V23 VanDerWaalsContact CG2-CG2 3.4Å; V23-L27 HydrophobicContact CG1-CB 4.41Å; V23-L27 HydrophobicContact CG1-CD1 3.61Å; V23-Q32 HydrophobicContact CG1-CB 4.31Å; V23-Q32 HydrophobicContact CG1-CG 3.84Å; V23-F35 HydrophobicContact CG1-CD2 4.13Å; V23-F35 HydrophobicContact CG2-CB 4.07Å; V23-F35 HydrophobicContact CG2-CD2 4.22Å; V23-F35 HydrophobicContact CG2-CG 4.23Å
24	P	75.5	Confident	69.4	Low	31 Å²	31	76 Å²	76	20%	0.201	40%	0.404	C	S	.	.			trans	-54.6	137.3	177.2	-15.3	16.3	0	0	0	111	N22 E26 L27	N22-P24 WeakPolarHBondContact O-CD 3.22Å; P24-E26 PolarHBondContact O-N 3.19Å; P24-E26 VanDerWaalsContact O-N 3.12Å; P24-L27 HydrophobicContact CB-CG 4.27Å; P24-L27 HydrophobicContact CG-CD1 4.01Å; P24-L27 HydrophobicContact CG-CG 4.14Å; P24-L27 PolarHBondContact O-N 3.43Å; P24-L27 VanDerWaalsContact O-N 3.14Å
25	P	74.9	Confident	72.2	Confident	120 Å²	120	72.7 Å²	72.7	78%	0.779	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-20	180	26.1	-34.1	0	0	0	112.8	L27	P25-L27 VanDerWaalsContact C-N 3.3Å; P25-L27 PolarHBondContact O-N 3.17Å
26	E	81.9	Confident	74.8	Confident	184 Å²	184	69.8 Å²	69.8	86%	0.86	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-17.7	179.6	-58.2	178.4	-166.3	0	0	113.4	P24	P24-E26 PolarHBondContact O-N 3.19Å; P24-E26 VanDerWaalsContact O-N 3.12Å
27	L	82.4	Confident	77.3	Confident	32 Å²	32	69 Å²	69	17%	0.168	37%	0.365	C	S	.	.	S	Bend	trans	-67.4	144.4	178.5	-71.9	178.1	0	0	0	111.1	V23 P24 P25 E31 Q32 F35 V59	V23-L27 HydrophobicContact CG1-CB 4.41Å; V23-L27 HydrophobicContact CG1-CD1 3.61Å; P24-L27 HydrophobicContact CB-CG 4.27Å; P24-L27 HydrophobicContact CG-CD1 4.01Å; P24-L27 HydrophobicContact CG-CG 4.14Å; P24-L27 PolarHBondContact O-N 3.43Å; P24-L27 VanDerWaalsContact O-N 3.14Å; P25-L27 VanDerWaalsContact C-N 3.3Å; P25-L27 PolarHBondContact O-N 3.17Å; L27-E31 HydrophobicContact CB-CB 4.28Å; L27-E31 WeakPolarHBondContact CD2-OE2 3.48Å; L27-Q32 HydrophobicContact CB-CG 4.29Å; L27-Q32 PolarHBondContact O-NE2 3.45Å; L27-F35 HydrophobicContact CD1-CD2 4.46Å; L27-F35 HydrophobicContact CD1-CE2 4.02Å; L27-V59 HydrophobicContact CD1-CG2 3.8Å; L27-V59 HydrophobicContact CD2-CG2 3.4Å; L27-V59 VanDerWaalsContact CD2-CG2 3.4Å; L27-V59 HydrophobicContact CG-CG2 4.23Å
28	R	86.5	Confident	79.8	Confident	134 Å²	134	64.2 Å²	64.2	51%	0.506	33%	0.332	S	S	.	.			trans	-61	146.1	179.2	-64.8	-177.8	-68.2	175.4	-3	109.4	I30 E31 Q32	R28-I30 HydrophobicContact CB-CG2 4.23Å; R28-I30 PolarHBondContact O-N 3.49Å; R28-E31 HydrophobicContact CB-CG 4.44Å; R28-E31 IonicContact CZ-OE1 3.22Å; R28-E31 PolarHBondContact N-OE2 2.9Å; R28-E31 IonicContact NE-OE1 2.85Å; R28-E31 PolarHBondContact NE-OE1 2.84Å; R28-E31 IonicContact NE-OE2 3.89Å; R28-E31 IonicContact NH2-OE1 2.72Å; R28-E31 PolarHBondContact NH2-OE1 3.12Å; R28-E31 WeakPolarHBondContact O-CA 3.24Å; R28-E31 WeakPolarHBondContact O-CB 3.44Å; R28-E31 PolarHBondContact O-N 3.3Å; R28-Q32 PolarHBondContact O-N 3.43Å; R28-Q32 VanDerWaalsContact O-N 3.12Å
29	K	86.6	Confident	81.8	Confident	167 Å²	167	64 Å²	64	73%	0.726	33%	0.327	S	S	*	.	H	α-helix	trans	-51.6	-34	-179.6	-165.7	172.5	-174.8	175.3	0	113.1	Q32 I33	K29-Q32 PolarHBondContact O-N 3.49Å; K29-I33 HydrophobicContact CG-CD1 4.31Å; K29-I33 WeakPolarHBondContact O-CD1 3.44Å; K29-I33 WeakPolarHBondContact O-CG1 3.42Å; K29-I33 PolarHBondContact O-N 3.14Å
30	I	88.2	Confident	83.5	Confident	48 Å²	48	68.8 Å²	68.8	25%	0.246	35%	0.348	C	S	.	.	H	α-helix	trans	-68.8	-34.6	177	-163.8	156.1	0	0	0	113.6	R28 I33 L34 K54 C55	R28-I30 HydrophobicContact CB-CG2 4.23Å; R28-I30 PolarHBondContact O-N 3.49Å; I30-I33 PolarHBondContact O-N 2.86Å; I30-L34 PolarHBondContact O-N 3.45Å; I30-K54 HydrophobicContact CD1-CB 3.6Å; I30-K54 HydrophobicContact CD1-CD 4.36Å; I30-C55 HydrophobicContact CG1-CB 4.3Å; I30-C55 HydrophobicContact CG2-CB 4.21Å
31	E	89.9	Confident	84.9	Confident	16 Å²	16	68.8 Å²	68.8	8%	0.075	35%	0.345	C	S	.	.	H	α-helix	trans	-70.7	-38.4	175.2	-70.4	154.9	-175.8	0	0	110.7	L27 R28 I33 L34 F35 C55 V59	L27-E31 HydrophobicContact CB-CB 4.28Å; L27-E31 WeakPolarHBondContact CD2-OE2 3.48Å; R28-E31 HydrophobicContact CB-CG 4.44Å; R28-E31 IonicContact CZ-OE1 3.22Å; R28-E31 PolarHBondContact N-OE2 2.9Å; R28-E31 IonicContact NE-OE1 2.85Å; R28-E31 PolarHBondContact NE-OE1 2.84Å; R28-E31 IonicContact NE-OE2 3.89Å; R28-E31 IonicContact NH2-OE1 2.72Å; R28-E31 PolarHBondContact NH2-OE1 3.12Å; R28-E31 WeakPolarHBondContact O-CA 3.24Å; R28-E31 WeakPolarHBondContact O-CB 3.44Å; R28-E31 PolarHBondContact O-N 3.3Å; E31-I33 VanDerWaalsContact C-N 3.32Å; E31-I33 PolarHBondContact O-N 3.12Å; E31-L34 WeakPolarHBondContact O-CB 3.48Å; E31-L34 PolarHBondContact O-N 3.2Å; E31-F35 WeakPolarHBondContact O-CD2 3.39Å; E31-F35 PolarHBondContact O-N 2.83Å; E31-C55 WeakPolarHBondContact CG-SG 3.48Å; E31-V59 HydrophobicContact CB-CB 4.43Å; E31-V59 HydrophobicContact CB-CG1 4.28Å; E31-V59 HydrophobicContact CB-CG2 3.96Å; E31-V59 HydrophobicContact CG-CB 4.15Å; E31-V59 HydrophobicContact CG-CG1 4.32Å; E31-V59 HydrophobicContact CG-CG2 3.93Å
32	Q	88.4	Confident	86.2	Confident	75 Å²	75	72.6 Å²	72.6	35%	0.35	36%	0.357	S	S	.	.	H	α-helix	trans	-61.4	-42.6	172.1	-55.4	179.9	14.5	0	0	111	V23 L27 R28 K29 L34 F35 A36	V23-Q32 HydrophobicContact CG1-CB 4.31Å; V23-Q32 HydrophobicContact CG1-CG 3.84Å; L27-Q32 HydrophobicContact CB-CG 4.29Å; L27-Q32 PolarHBondContact O-NE2 3.45Å; R28-Q32 PolarHBondContact O-N 3.43Å; R28-Q32 VanDerWaalsContact O-N 3.12Å; K29-Q32 PolarHBondContact O-N 3.49Å; Q32-L34 VanDerWaalsContact C-N 3.34Å; Q32-F35 PolarHBondContact O-N 2.86Å; Q32-A36 WeakPolarHBondContact O-CB 3.32Å; Q32-A36 PolarHBondContact O-N 3.12Å
33	I	89.4	Confident	87	Confident	78 Å²	78	72.1 Å²	72.1	40%	0.4	35%	0.351	S	S	.	.	H	α-helix	trans	-64.4	-38.4	174.8	-67.6	163.2	0	0	0	110.9	K29 I30 E31 A36 S37 I49	K29-I33 HydrophobicContact CG-CD1 4.31Å; K29-I33 WeakPolarHBondContact O-CD1 3.44Å; K29-I33 WeakPolarHBondContact O-CG1 3.42Å; K29-I33 PolarHBondContact O-N 3.14Å; I30-I33 PolarHBondContact O-N 2.86Å; E31-I33 VanDerWaalsContact C-N 3.32Å; E31-I33 PolarHBondContact O-N 3.12Å; I33-A36 PolarHBondContact O-N 2.93Å; I33-S37 VanDerWaalsContact O-CB 3.22Å; I33-S37 WeakPolarHBondContact O-CB 3.47Å; I33-S37 PolarHBondContact O-N 3.43Å; I33-S37 PolarHBondContact O-OG 3.02Å; I33-I49 HydrophobicContact CG2-CD1 4.1Å
34	L	91.1	Very high	87.7	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-60.2	-50.7	176.2	177.2	60.8	0	0	0	111.1	I30 E31 Q32 A36 S37 V38 V46 I49 V59 P67	I30-L34 PolarHBondContact O-N 3.45Å; E31-L34 WeakPolarHBondContact O-CB 3.48Å; E31-L34 PolarHBondContact O-N 3.2Å; Q32-L34 VanDerWaalsContact C-N 3.34Å; L34-A36 PolarHBondContact O-N 3.36Å; L34-S37 PolarHBondContact O-N 2.9Å; L34-V38 HydrophobicContact CD1-CG2 4.23Å; L34-V38 WeakPolarHBondContact O-CG2 3.37Å; L34-V38 PolarHBondContact O-N 3.39Å; L34-V46 HydrophobicContact CD1-CG1 4.07Å; L34-V46 HydrophobicContact CD1-CG2 4.32Å; L34-I49 HydrophobicContact CB-CD1 4.34Å; L34-I49 HydrophobicContact CD1-CD1 4.39Å; L34-I49 HydrophobicContact CD1-CG2 4.37Å; L34-V59 HydrophobicContact CD2-CG1 4.19Å; L34-P67 HydrophobicContact CD2-CG 3.76Å; L34-P67 HydrophobicContact CG-CB 4.46Å; L34-P67 HydrophobicContact CG-CG 3.99Å
35	F	90.7	Very high	88.4	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-57.2	-47.2	175.7	-84.5	-63.8	0	0	0	112.3	I21 V23 L27 E31 Q32 S37 V38 K39 V59 D61 R65 P67 L70	I21-F35 HydrophobicContact CG2-CD1 4.28Å; I21-F35 HydrophobicContact CG2-CG 4.49Å; V23-F35 HydrophobicContact CG1-CD2 4.13Å; V23-F35 HydrophobicContact CG2-CB 4.07Å; V23-F35 HydrophobicContact CG2-CD2 4.22Å; V23-F35 HydrophobicContact CG2-CG 4.23Å; L27-F35 HydrophobicContact CD1-CD2 4.46Å; L27-F35 HydrophobicContact CD1-CE2 4.02Å; E31-F35 WeakPolarHBondContact O-CD2 3.39Å; E31-F35 PolarHBondContact O-N 2.83Å; Q32-F35 PolarHBondContact O-N 2.86Å; F35-S37 VanDerWaalsContact C-N 3.35Å; F35-S37 PolarHBondContact O-N 2.79Å; F35-V38 PolarHBondContact O-N 2.68Å; F35-K39 WeakPolarHBondContact O-CB 3.49Å; F35-K39 PolarHBondContact O-N 3.48Å; F35-V59 HydrophobicContact CD2-CG1 4.23Å; F35-V59 HydrophobicContact CE2-CB 4.36Å; F35-V59 HydrophobicContact CE2-CG1 3.58Å; F35-V59 HydrophobicContact CE2-CG2 4.03Å; F35-V59 HydrophobicContact CZ-CG1 3.96Å; F35-D61 HydrophobicContact CE1-CB 4.24Å; F35-D61 HydrophobicContact CE2-CB 4.37Å; F35-D61 HydrophobicContact CZ-CB 3.92Å; F35-R65 WeakPolarHBondContact CZ-O 2.96Å; F35-P67 HydrophobicContact CD1-CG 4.41Å; F35-P67 HydrophobicContact CE1-CG 4.1Å; F35-P67 HydrophobicContact CZ-CG 4.38Å; F35-L70 HydrophobicContact CD1-CD1 3.45Å; F35-L70 VanDerWaalsContact CD1-CD1 3.45Å; F35-L70 HydrophobicContact CE1-CD1 3.89Å
36	A	89.4	Confident	89.3	Confident	40 Å²	40	70 Å²	70	33%	0.331	33%	0.329	S	S	.	.	H	α-helix	trans	-62.9	-41	177.9	0	0	0	0	0	112.2	Q32 I33 L34 K39 Q40	Q32-A36 WeakPolarHBondContact O-CB 3.32Å; Q32-A36 PolarHBondContact O-N 3.12Å; I33-A36 PolarHBondContact O-N 2.93Å; L34-A36 PolarHBondContact O-N 3.36Å; A36-K39 PolarHBondContact O-N 3.13Å; A36-Q40 VanDerWaalsContact O-CB 3.3Å; A36-Q40 WeakPolarHBondContact O-CB 3.45Å; A36-Q40 WeakPolarHBondContact O-CG 3.45Å; A36-Q40 PolarHBondContact O-N 3.09Å
37	S	91.4	Very high	89.8	Confident	4 Å²	4	63.6 Å²	63.6	3%	0.028	30%	0.301	C	S	.	.	H	α-helix	trans	-67.2	-41	-179.4	-58.9	0	0	0	0	111.7	I33 L34 F35 Q40 N41 R42	I33-S37 VanDerWaalsContact O-CB 3.22Å; I33-S37 WeakPolarHBondContact O-CB 3.47Å; I33-S37 PolarHBondContact O-N 3.43Å; I33-S37 PolarHBondContact O-OG 3.02Å; L34-S37 PolarHBondContact O-N 2.9Å; F35-S37 VanDerWaalsContact C-N 3.35Å; F35-S37 PolarHBondContact O-N 2.79Å; S37-Q40 PolarHBondContact O-N 3.27Å; S37-N41 PolarHBondContact O-N 3.04Å; S37-N41 VanDerWaalsContact O-N 3.14Å; S37-R42 PolarHBondContact O-N 3.42Å
38	V	92.6	Very high	90.2	Very high	2 Å²	2	69.3 Å²	69.3	1%	0.012	32%	0.32	C	S	.	.	H	α-helix	trans	-65.8	-46.4	174.5	172.3	0	0	0	0	110.8	L34 F35 Q40 N41 V46 P67 L70 A71 M79 L83	L34-V38 HydrophobicContact CD1-CG2 4.23Å; L34-V38 WeakPolarHBondContact O-CG2 3.37Å; L34-V38 PolarHBondContact O-N 3.39Å; F35-V38 PolarHBondContact O-N 2.68Å; V38-Q40 VanDerWaalsContact C-N 3.27Å; V38-Q40 PolarHBondContact O-N 3.3Å; V38-N41 PolarHBondContact O-N 2.93Å; V38-V46 HydrophobicContact CG2-CG1 4.47Å; V38-V46 HydrophobicContact CG2-CG2 3.75Å; V38-P67 HydrophobicContact CG2-CB 4.16Å; V38-L70 HydrophobicContact CG1-CB 4.01Å; V38-A71 HydrophobicContact CG1-CB 4.05Å; V38-M79 HydrophobicContact CG1-CG 4.21Å; V38-M79 HydrophobicContact CG2-CG 4.44Å; V38-M79 HydrophobicContact CG2-SD 4.21Å; V38-L83 HydrophobicContact CG2-CD1 4.31Å; V38-L83 HydrophobicContact CG2-CD2 4.45Å
39	K	88	Confident	90.3	Very high	133 Å²	133	63.8 Å²	63.8	58%	0.578	30%	0.301	S	S	*	.	H	α-helix	trans	-57.5	-40.5	176.9	-164.1	-162.3	-166.4	177.4	0	112.3	I21 F35 A36 N41	I21-K39 HydrophobicContact CD1-CB 3.73Å; I21-K39 HydrophobicContact CD1-CD 3.73Å; I21-K39 HydrophobicContact CD1-CG 3.71Å; F35-K39 WeakPolarHBondContact O-CB 3.49Å; F35-K39 PolarHBondContact O-N 3.48Å; A36-K39 PolarHBondContact O-N 3.13Å; K39-N41 VanDerWaalsContact C-N 3.26Å; K39-N41 PolarHBondContact O-N 3.23Å
40	Q	89.2	Confident	90.4	Very high	123 Å²	123	56.9 Å²	56.9	58%	0.575	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	5.4	179.5	-67.1	173	14.9	0	0	113.4	A36 S37 V38 R42	A36-Q40 VanDerWaalsContact O-CB 3.3Å; A36-Q40 WeakPolarHBondContact O-CB 3.45Å; A36-Q40 WeakPolarHBondContact O-CG 3.45Å; A36-Q40 PolarHBondContact O-N 3.09Å; S37-Q40 PolarHBondContact O-N 3.27Å; V38-Q40 VanDerWaalsContact C-N 3.27Å; V38-Q40 PolarHBondContact O-N 3.3Å; Q40-R42 VanDerWaalsContact C-N 3.25Å; Q40-R42 HydrophobicContact CB-CG 3.83Å; Q40-R42 PolarHBondContact O-N 2.87Å
41	N	90.1	Very high	90.3	Very high	91 Å²	91	60.5 Å²	60.5	49%	0.487	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	40.7	-175.7	-170.3	14.4	0	0	0	113.8	S37 V38 K39 F43 N76	S37-N41 PolarHBondContact O-N 3.04Å; S37-N41 VanDerWaalsContact O-N 3.14Å; V38-N41 PolarHBondContact O-N 2.93Å; K39-N41 VanDerWaalsContact C-N 3.26Å; K39-N41 PolarHBondContact O-N 3.23Å; N41-F43 PolarHBondContact O-N 3.48Å; N41-N76 PolarHBondContact ND2-ND2 3.34Å; N41-N76 PolarHBondContact OD1-ND2 3.42Å
42	R	92.2	Very high	90.1	Very high	115 Å²	115	61.4 Å²	61.4	43%	0.434	30%	0.301	S	S	.	.			trans	-88.7	78.2	179	-65.1	-66.2	-62.1	-87.2	3.3	110.7	S37 Q40 D44 L45 V46	S37-R42 PolarHBondContact O-N 3.42Å; Q40-R42 VanDerWaalsContact C-N 3.25Å; Q40-R42 HydrophobicContact CB-CG 3.83Å; Q40-R42 PolarHBondContact O-N 2.87Å; R42-D44 VanDerWaalsContact C-N 3.32Å; R42-D44 PolarHBondContact O-N 3.18Å; R42-L45 HydrophobicContact CB-CB 4.04Å; R42-L45 HydrophobicContact CB-CD1 3.86Å; R42-L45 HydrophobicContact CB-CG 4.23Å; R42-L45 HydrophobicContact CG-CD1 4.15Å; R42-L45 PolarHBondContact O-N 2.91Å; R42-L45 VanDerWaalsContact O-N 3.09Å; R42-V46 PolarHBondContact O-N 3.43Å; R42-V46 VanDerWaalsContact O-N 3.13Å
43	F	92.3	Very high	89.4	Confident	79 Å²	79	65.8 Å²	65.8	35%	0.346	32%	0.321	S	S	.	.	H	α-helix	trans	-51.8	-47	-177.7	-159.6	-91.1	0	0	0	112.9	N41 L45 V46 N47 P78 M79 L82	N41-F43 PolarHBondContact O-N 3.48Å; F43-L45 VanDerWaalsContact C-N 3.28Å; F43-L45 PolarHBondContact O-N 3.39Å; F43-V46 PolarHBondContact O-N 2.99Å; F43-N47 WeakPolarHBondContact O-CB 3.22Å; F43-N47 PolarHBondContact O-N 3.47Å; F43-P78 HydrophobicContact CD2-CB 4.26Å; F43-P78 HydrophobicContact CE2-CB 3.87Å; F43-P78 WeakPolarHBondContact CE2-O 3.47Å; F43-M79 HydrophobicContact CB-CE 4.33Å; F43-M79 HydrophobicContact CD2-CE 4.19Å; F43-M79 HydrophobicContact CD2-SD 4.5Å; F43-L82 HydrophobicContact CD1-CD2 4.14Å; F43-L82 HydrophobicContact CD2-CD2 3.88Å; F43-L82 HydrophobicContact CE1-CD1 4.18Å; F43-L82 HydrophobicContact CE1-CD2 3.94Å; F43-L82 HydrophobicContact CE1-CG 4.47Å; F43-L82 HydrophobicContact CE2-CB 3.61Å; F43-L82 HydrophobicContact CE2-CD2 3.67Å; F43-L82 HydrophobicContact CE2-CG 4.13Å; F43-L82 HydrophobicContact CG-CD2 4.12Å; F43-L82 HydrophobicContact CZ-CB 3.69Å; F43-L82 HydrophobicContact CZ-CD1 3.92Å; F43-L82 HydrophobicContact CZ-CD2 3.71Å; F43-L82 HydrophobicContact CZ-CG 3.96Å
44	D	91.7	Very high	88.7	Confident	107 Å²	107	69.1 Å²	69.1	57%	0.572	33%	0.333	S	S	*	.	H	α-helix	trans	-63.3	-31.1	-179.1	-45.7	-37.3	0	0	0	113.7	R42 R48	R42-D44 VanDerWaalsContact C-N 3.32Å; R42-D44 PolarHBondContact O-N 3.18Å; D44-R48 WeakPolarHBondContact O-CB 3.36Å; D44-R48 VanDerWaalsContact O-CG 3.32Å; D44-R48 WeakPolarHBondContact O-CG 3.43Å; D44-R48 PolarHBondContact O-N 3.45Å; D44-R48 PolarHBondContact O-NE 2.81Å
45	L	90.6	Very high	88.3	Confident	43 Å²	43	70 Å²	70	23%	0.225	34%	0.338	C	S	.	.	H	α-helix	trans	-76.5	-43.6	177.9	-75.8	174.3	0	0	0	110.4	R42 F43 R48 I49	R42-L45 HydrophobicContact CB-CB 4.04Å; R42-L45 HydrophobicContact CB-CD1 3.86Å; R42-L45 HydrophobicContact CB-CG 4.23Å; R42-L45 HydrophobicContact CG-CD1 4.15Å; R42-L45 PolarHBondContact O-N 2.91Å; R42-L45 VanDerWaalsContact O-N 3.09Å; F43-L45 VanDerWaalsContact C-N 3.28Å; F43-L45 PolarHBondContact O-N 3.39Å; L45-R48 PolarHBondContact O-N 3.25Å; L45-I49 WeakPolarHBondContact O-CD1 3.39Å; L45-I49 VanDerWaalsContact O-CG1 3.24Å; L45-I49 WeakPolarHBondContact O-CG1 3.29Å; L45-I49 PolarHBondContact O-N 3.23Å
46	V	92.3	Very high	88.2	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-63.4	-44.4	177.3	179.3	0	0	0	0	110.4	L34 V38 R42 F43 R48 I49 I50 M79 L82 L83	L34-V46 HydrophobicContact CD1-CG1 4.07Å; L34-V46 HydrophobicContact CD1-CG2 4.32Å; V38-V46 HydrophobicContact CG2-CG1 4.47Å; V38-V46 HydrophobicContact CG2-CG2 3.75Å; R42-V46 PolarHBondContact O-N 3.43Å; R42-V46 VanDerWaalsContact O-N 3.13Å; F43-V46 PolarHBondContact O-N 2.99Å; V46-R48 PolarHBondContact O-N 3.48Å; V46-I49 PolarHBondContact O-N 2.94Å; V46-I49 VanDerWaalsContact O-N 3.12Å; V46-I50 HydrophobicContact CG1-CD1 3.81Å; V46-I50 HydrophobicContact CG1-CG1 4.39Å; V46-I50 WeakPolarHBondContact O-CG1 3.43Å; V46-I50 PolarHBondContact O-N 3.35Å; V46-M79 HydrophobicContact CB-CE 4.41Å; V46-M79 HydrophobicContact CB-SD 3.87Å; V46-M79 HydrophobicContact CG1-SD 3.84Å; V46-M79 HydrophobicContact CG2-CE 3.98Å; V46-M79 HydrophobicContact CG2-SD 3.74Å; V46-L82 HydrophobicContact CB-CD2 3.9Å; V46-L82 HydrophobicContact CG1-CD2 3.72Å; V46-L82 HydrophobicContact CG1-CG 4.43Å; V46-L83 HydrophobicContact CG1-CD2 3.95Å
47	N	92.3	Very high	88.3	Confident	48 Å²	48	73 Å²	73	26%	0.257	35%	0.349	S	S	.	.	H	α-helix	trans	-60.4	-45.4	178.7	-169.5	44.5	0	0	0	111.7	F43 I49 I50 E51 L82	F43-N47 WeakPolarHBondContact O-CB 3.22Å; F43-N47 PolarHBondContact O-N 3.47Å; N47-I49 VanDerWaalsContact C-N 3.31Å; N47-I49 PolarHBondContact O-N 2.97Å; N47-I50 PolarHBondContact O-N 3.43Å; N47-E51 PolarHBondContact ND2-OE1 2.83Å; N47-E51 WeakPolarHBondContact O-CG 3.46Å; N47-E51 PolarHBondContact O-N 3.37Å; N47-L82 HydrophobicContact CB-CD1 4.11Å; N47-L82 HydrophobicContact CB-CD2 4.09Å; N47-L82 WeakPolarHBondContact OD1-CD1 3.33Å
48	R	90.9	Very high	88.3	Confident	152 Å²	152	74.4 Å²	74.4	57%	0.574	36%	0.356	S	S	*	.	H	α-helix	trans	-61.9	-34.7	175.1	-77.3	-173.3	-71.1	170.8	-10.2	113.7	D44 L45 V46 G52	D44-R48 WeakPolarHBondContact O-CB 3.36Å; D44-R48 VanDerWaalsContact O-CG 3.32Å; D44-R48 WeakPolarHBondContact O-CG 3.43Å; D44-R48 PolarHBondContact O-N 3.45Å; D44-R48 PolarHBondContact O-NE 2.81Å; L45-R48 PolarHBondContact O-N 3.25Å; V46-R48 PolarHBondContact O-N 3.48Å; R48-G52 PolarHBondContact O-N 3.19Å; R48-G52 VanDerWaalsContact O-N 3.14Å
49	I	89.1	Confident	88.3	Confident	19 Å²	19	74.8 Å²	74.8	10%	0.097	36%	0.358	C	S	.	.	H	α-helix	trans	-67.9	-41.7	176.5	-69.7	164.6	0	0	0	110.4	I33 L34 L45 V46 N47 C55	I33-I49 HydrophobicContact CG2-CD1 4.1Å; L34-I49 HydrophobicContact CB-CD1 4.34Å; L34-I49 HydrophobicContact CD1-CD1 4.39Å; L34-I49 HydrophobicContact CD1-CG2 4.37Å; L45-I49 WeakPolarHBondContact O-CD1 3.39Å; L45-I49 VanDerWaalsContact O-CG1 3.24Å; L45-I49 WeakPolarHBondContact O-CG1 3.29Å; L45-I49 PolarHBondContact O-N 3.23Å; V46-I49 PolarHBondContact O-N 2.94Å; V46-I49 VanDerWaalsContact O-N 3.12Å; N47-I49 VanDerWaalsContact C-N 3.31Å; N47-I49 PolarHBondContact O-N 2.97Å; I49-C55 HydrophobicContact CG2-CB 3.68Å
50	I	88.1	Confident	88.5	Confident	22 Å²	22	73.4 Å²	73.4	11%	0.113	35%	0.349	C	S	.	.	H	α-helix	trans	-66.9	-53	178.7	-65.4	170.4	0	0	0	110.6	V46 N47 G52 H53 I57 L82 L83	V46-I50 HydrophobicContact CG1-CD1 3.81Å; V46-I50 HydrophobicContact CG1-CG1 4.39Å; V46-I50 WeakPolarHBondContact O-CG1 3.43Å; V46-I50 PolarHBondContact O-N 3.35Å; N47-I50 PolarHBondContact O-N 3.43Å; I50-G52 VanDerWaalsContact C-N 3.26Å; I50-G52 PolarHBondContact O-N 3.02Å; I50-H53 PolarHBondContact O-N 2.93Å; I50-I57 HydrophobicContact CB-CD1 4.41Å; I50-I57 HydrophobicContact CG1-CD1 3.81Å; I50-I57 HydrophobicContact CG1-CG1 4.24Å; I50-I57 HydrophobicContact CG2-CD1 4.15Å; I50-L82 HydrophobicContact CD1-CD1 4.31Å; I50-L82 HydrophobicContact CD1-CD2 4.41Å; I50-L82 HydrophobicContact CD1-CG 3.87Å; I50-L83 HydrophobicContact CD1-CD2 4.46Å
51	E	87.1	Confident	88.6	Confident	123 Å²	123	67.8 Å²	67.8	58%	0.575	32%	0.323	S	S	*	.	H	α-helix	trans	-58.9	-37.3	179.5	-73.2	174.1	178.4	0	0	112.5	N47 H53	N47-E51 PolarHBondContact ND2-OE1 2.83Å; N47-E51 WeakPolarHBondContact O-CG 3.46Å; N47-E51 PolarHBondContact O-N 3.37Å; E51-H53 PolarHBondContact O-N 2.92Å; E51-H53 PolarHBondContact O-ND1 3.19Å
52	G	84.8	Confident	88.6	Confident	36 Å²	36	65.6 Å²	65.6	37%	0.371	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-12.8	177.1	0	0	0	0	0	114.5	R48 I50 K54	R48-G52 PolarHBondContact O-N 3.19Å; R48-G52 VanDerWaalsContact O-N 3.14Å; I50-G52 VanDerWaalsContact C-N 3.26Å; I50-G52 PolarHBondContact O-N 3.02Å; G52-K54 WeakPolarHBondContact O-CG 3.33Å; G52-K54 PolarHBondContact O-N 2.92Å; G52-K54 VanDerWaalsContact O-N 3.07Å
53	H	73.3	Confident	88.4	Confident	167 Å²	167	62.8 Å²	62.8	77%	0.773	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	28.4	-175.3	-63.1	74.3	0	0	0	113.8	I50 E51	I50-H53 PolarHBondContact O-N 2.93Å; E51-H53 PolarHBondContact O-N 2.92Å; E51-H53 PolarHBondContact O-ND1 3.19Å
54	K	75	Confident	88.5	Confident	148 Å²	148	62 Å²	62	64%	0.643	31%	0.305	S	S	*	.			trans	-90.4	-6.9	-171	-59.6	-168.8	179.8	176	0	114.3	I30 G52	I30-K54 HydrophobicContact CD1-CB 3.6Å; I30-K54 HydrophobicContact CD1-CD 4.36Å; G52-K54 WeakPolarHBondContact O-CG 3.33Å; G52-K54 PolarHBondContact O-N 2.92Å; G52-K54 VanDerWaalsContact O-N 3.07Å
55	C	82.9	Confident	88.6	Confident	17 Å²	17	57.5 Å²	57.5	12%	0.115	28%	0.281	C	S	.	.	S	Bend	trans	-139.9	144.2	-168.2	-172.2	0	0	0	0	110.2	I30 E31 I49 I57	I30-C55 HydrophobicContact CG1-CB 4.3Å; I30-C55 HydrophobicContact CG2-CB 4.21Å; E31-C55 WeakPolarHBondContact CG-SG 3.48Å; I49-C55 HydrophobicContact CG2-CB 3.68Å; C55-I57 PolarHBondContact O-N 3.31Å
56	D	88.4	Confident	88.8	Confident	83 Å²	83	55.5 Å²	55.5	44%	0.444	27%	0.27	S	S	.	.			trans	-74	119	164	-178	6.4	0	0	0	108.5	N58 V59	D56-N58 PolarHBondContact O-N 3.47Å; D56-N58 WeakPolarHBondContact OD1-CB 3.47Å; D56-N58 PolarHBondContact OD1-N 3.41Å; D56-V59 PolarHBondContact O-N 3.02Å
57	I	91.5	Very high	88.9	Confident	20 Å²	20	55.5 Å²	55.5	10%	0.103	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-20.7	180	-65.6	159.3	0	0	0	110.9	I50 C55 V59 P67 L83 G86 A88	I50-I57 HydrophobicContact CB-CD1 4.41Å; I50-I57 HydrophobicContact CG1-CD1 3.81Å; I50-I57 HydrophobicContact CG1-CG1 4.24Å; I50-I57 HydrophobicContact CG2-CD1 4.15Å; C55-I57 PolarHBondContact O-N 3.31Å; I57-V59 VanDerWaalsContact C-N 3.29Å; I57-V59 PolarHBondContact O-N 2.82Å; I57-P67 WeakPolarHBondContact O-CD 3.3Å; I57-P67 WeakPolarHBondContact O-CG 3.21Å; I57-L83 HydrophobicContact CG2-CD2 3.98Å; I57-G86 WeakPolarHBondContact CD1-O 3.39Å; I57-A88 HydrophobicContact CG2-CB 3.78Å
58	N	93.1	Very high	89.1	Confident	35 Å²	35	53.3 Å²	53.3	19%	0.187	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	17.2	179.6	-61.1	-64.2	0	0	0	113.3	D56 L89	D56-N58 PolarHBondContact O-N 3.47Å; D56-N58 WeakPolarHBondContact OD1-CB 3.47Å; D56-N58 PolarHBondContact OD1-N 3.41Å; N58-L89 HydrophobicContact CB-CD1 4.35Å; N58-L89 WeakPolarHBondContact OD1-CB 3.33Å; N58-L89 WeakPolarHBondContact OD1-CG 3.49Å; N58-L89 PolarHBondContact OD1-N 3.27Å
59	V	92	Very high	89.3	Confident	9 Å²	9	46.1 Å²	46.1	6%	0.055	23%	0.231	C	C	.	.			trans	-52.9	144.5	173.6	64.2	0	0	0	0	111	L27 E31 L34 F35 D56 I57 T66 P67	L27-V59 HydrophobicContact CD1-CG2 3.8Å; L27-V59 HydrophobicContact CD2-CG2 3.4Å; L27-V59 VanDerWaalsContact CD2-CG2 3.4Å; L27-V59 HydrophobicContact CG-CG2 4.23Å; E31-V59 HydrophobicContact CB-CB 4.43Å; E31-V59 HydrophobicContact CB-CG1 4.28Å; E31-V59 HydrophobicContact CB-CG2 3.96Å; E31-V59 HydrophobicContact CG-CB 4.15Å; E31-V59 HydrophobicContact CG-CG1 4.32Å; E31-V59 HydrophobicContact CG-CG2 3.93Å; L34-V59 HydrophobicContact CD2-CG1 4.19Å; F35-V59 HydrophobicContact CD2-CG1 4.23Å; F35-V59 HydrophobicContact CE2-CB 4.36Å; F35-V59 HydrophobicContact CE2-CG1 3.58Å; F35-V59 HydrophobicContact CE2-CG2 4.03Å; F35-V59 HydrophobicContact CZ-CG1 3.96Å; D56-V59 PolarHBondContact O-N 3.02Å; I57-V59 VanDerWaalsContact C-N 3.29Å; I57-V59 PolarHBondContact O-N 2.82Å; V59-T66 WeakPolarHBondContact O-CA 3.22Å; V59-P67 HydrophobicContact CG1-CG 3.98Å; V59-P67 WeakPolarHBondContact O-CD 3.45Å
60	R	92.5	Very high	89.5	Confident	104 Å²	104	45.7 Å²	45.7	39%	0.392	23%	0.229	S	C	.	.			trans	-115.6	137.9	-176.1	-69	-174.2	-177.5	-161.2	-2.1	111.2	D64 R65 T66	R60-D64 WeakPolarHBondContact CD-OD1 3.46Å; R60-D64 IonicContact NH1-OD1 3.09Å; R60-R65 WeakPolarHBondContact CA-O 3.36Å; R60-T66 HydrophobicContact CG-CG2 4.19Å
61	D	90.4	Very high	89.8	Confident	5 Å²	5	44.7 Å²	44.7	3%	0.027	22%	0.224	C	C	.	.			trans	-79.4	-175.5	170.1	82	-7.8	0	0	0	111.5	I21 N22 F35 F63 D64 R65	I21-D61 HydrophobicContact CG2-CB 4.38Å; N22-D61 WeakPolarHBondContact O-CB 3.46Å; F35-D61 HydrophobicContact CE1-CB 4.24Å; F35-D61 HydrophobicContact CE2-CB 4.37Å; F35-D61 HydrophobicContact CZ-CB 3.92Å; D61-F63 PolarHBondContact O-N 2.87Å; D61-F63 WeakPolarHBondContact OD1-CA 3.06Å; D61-F63 WeakPolarHBondContact OD1-CB 3.3Å; D61-F63 PolarHBondContact OD1-N 3.04Å; D61-D64 PolarHBondContact O-N 3.16Å; D61-D64 PolarHBondContact OD1-N 3.07Å; D61-R65 PolarHBondContact N-O 3.14Å; D61-R65 WeakPolarHBondContact OD1-CB 3.31Å; D61-R65 PolarHBondContact OD1-N 2.91Å; D61-R65 IonicContact OD1-NE 3.82Å; D61-R65 IonicContact OD2-CZ 2.96Å; D61-R65 IonicContact OD2-NE 3.06Å; D61-R65 PolarHBondContact OD2-NE 3.1Å; D61-R65 IonicContact OD2-NH2 3.87Å; D61-R65 PolarHBondContact OD2-NH2 3.21Å
62	S	89.5	Confident	90.3	Very high	45 Å²	45	38.8 Å²	38.8	32%	0.315	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-9.4	-177.7	74	0	0	0	0	114.4	N22	N22-S62 VanDerWaalsContact CB-OG 3.24Å; N22-S62 WeakPolarHBondContact CB-OG 3.38Å; N22-S62 PolarHBondContact ND2-OG 3.24Å; N22-S62 WeakPolarHBondContact O-CB 3.43Å; N22-S62 PolarHBondContact O-N 3.42Å; N22-S62 PolarHBondContact O-OG 3.43Å
63	F	89.5	Confident	90.7	Very high	56 Å²	56	37.9 Å²	37.9	25%	0.246	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	18.6	175.9	-63.5	-87.2	0	0	0	111.4	N22 D61 R65 D94 K95 F96	N22-F63 HydrophobicContact CB-CD2 4.3Å; N22-F63 HydrophobicContact CB-CE2 3.85Å; D61-F63 PolarHBondContact O-N 2.87Å; D61-F63 WeakPolarHBondContact OD1-CA 3.06Å; D61-F63 WeakPolarHBondContact OD1-CB 3.3Å; D61-F63 PolarHBondContact OD1-N 3.04Å; F63-R65 HydrophobicContact CB-CG 4.18Å; F63-R65 PolarHBondContact O-N 3.2Å; F63-D94 WeakPolarHBondContact O-CB 3.41Å; F63-K95 VanDerWaalsContact O-CB 3.24Å; F63-K95 WeakPolarHBondContact O-CB 3.37Å; F63-K95 PolarHBondContact O-N 3.04Å; F63-F96 HydrophobicContact CD1-CE2 4.15Å; F63-F96 HydrophobicContact CD1-CZ 4.4Å
64	D	92.7	Very high	91.6	Very high	62 Å²	62	32.8 Å²	32.8	33%	0.332	17%	0.168	S	C	.	.	S	Bend	trans	61	16.1	-175.7	-71.4	-51.8	0	0	0	114.5	R60 D61 K95	R60-D64 WeakPolarHBondContact CD-OD1 3.46Å; R60-D64 IonicContact NH1-OD1 3.09Å; D61-D64 PolarHBondContact O-N 3.16Å; D61-D64 PolarHBondContact OD1-N 3.07Å; D64-K95 HydrophobicContact CB-CB 4.49Å
65	R	94.2	Very high	92.5	Very high	14 Å²	14	26.9 Å²	26.9	5%	0.053	15%	0.149	C	C	.	.			trans	-82.8	135.7	-179.9	-61.4	173.7	-63.3	-158.3	-0.3	110.2	T20 F35 R60 D61 F63 H69 D94	T20-R65 PolarHBondContact O-NH2 2.86Å; F35-R65 WeakPolarHBondContact CZ-O 2.96Å; R60-R65 WeakPolarHBondContact CA-O 3.36Å; D61-R65 PolarHBondContact N-O 3.14Å; D61-R65 WeakPolarHBondContact OD1-CB 3.31Å; D61-R65 PolarHBondContact OD1-N 2.91Å; D61-R65 IonicContact OD1-NE 3.82Å; D61-R65 IonicContact OD2-CZ 2.96Å; D61-R65 IonicContact OD2-NE 3.06Å; D61-R65 PolarHBondContact OD2-NE 3.1Å; D61-R65 IonicContact OD2-NH2 3.87Å; D61-R65 PolarHBondContact OD2-NH2 3.21Å; F63-R65 HydrophobicContact CB-CG 4.18Å; F63-R65 PolarHBondContact O-N 3.2Å; R65-H69 HydrophobicContact CB-CB 4.07Å; R65-D94 HydrophobicContact CG-CB 3.65Å
66	T	94.9	Very high	93	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	15%	0.148	C	C	.	.			trans	-91.4	163.9	175.3	65.2	0	0	0	0	111.6	V59 R60 L68 H69 L70 P92	V59-T66 WeakPolarHBondContact O-CA 3.22Å; R60-T66 HydrophobicContact CG-CG2 4.19Å; T66-L68 PolarHBondContact O-N 3.3Å; T66-L68 VanDerWaalsContact O-N 3.11Å; T66-L68 PolarHBondContact OG1-N 2.93Å; T66-H69 PolarHBondContact N-ND1 2.87Å; T66-H69 WeakPolarHBondContact O-CB 3.4Å; T66-H69 PolarHBondContact O-N 3.3Å; T66-H69 PolarHBondContact OG1-ND1 2.67Å; T66-L70 PolarHBondContact O-N 2.98Å; T66-P92 HydrophobicContact CG2-CB 3.89Å; T66-P92 HydrophobicContact CG2-CG 4Å
67	P	94.4	Very high	93.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-49.3	-34.8	169.2	-30.7	35.8	0	0	0	113.6	L34 F35 V38 I57 V59 H69 L70 A71 L83	L34-P67 HydrophobicContact CD2-CG 3.76Å; L34-P67 HydrophobicContact CG-CB 4.46Å; L34-P67 HydrophobicContact CG-CG 3.99Å; F35-P67 HydrophobicContact CD1-CG 4.41Å; F35-P67 HydrophobicContact CE1-CG 4.1Å; F35-P67 HydrophobicContact CZ-CG 4.38Å; V38-P67 HydrophobicContact CG2-CB 4.16Å; I57-P67 WeakPolarHBondContact O-CD 3.3Å; I57-P67 WeakPolarHBondContact O-CG 3.21Å; V59-P67 HydrophobicContact CG1-CG 3.98Å; V59-P67 WeakPolarHBondContact O-CD 3.45Å; P67-H69 PolarHBondContact O-N 3.27Å; P67-L70 PolarHBondContact O-N 2.88Å; P67-A71 PolarHBondContact O-N 3.12Å; P67-L83 HydrophobicContact CB-CD1 4.18Å; P67-L83 HydrophobicContact CB-CD2 4.19Å
68	L	96.6	Very high	93.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-65.8	-34.9	176.7	-170.6	63	0	0	0	113.1	T66 L70 A71 A72 V80 L83 V84 A88 L89 P100 L116	T66-L68 PolarHBondContact O-N 3.3Å; T66-L68 VanDerWaalsContact O-N 3.11Å; T66-L68 PolarHBondContact OG1-N 2.93Å; L68-L70 VanDerWaalsContact C-N 3.28Å; L68-L70 PolarHBondContact O-N 3.08Å; L68-A71 PolarHBondContact O-N 3.31Å; L68-A72 VanDerWaalsContact O-CB 3.27Å; L68-A72 WeakPolarHBondContact O-CB 3.24Å; L68-A72 PolarHBondContact O-N 3.16Å; L68-V80 HydrophobicContact CD1-CB 4.41Å; L68-V80 HydrophobicContact CD1-CG1 4.01Å; L68-V80 HydrophobicContact CD1-CG2 4.39Å; L68-L83 HydrophobicContact CD1-CB 4.16Å; L68-L83 HydrophobicContact CD1-CD1 4.34Å; L68-V84 HydrophobicContact CD1-CG2 4.03Å; L68-V84 HydrophobicContact CD2-CG2 4.23Å; L68-A88 HydrophobicContact CD2-CB 4.43Å; L68-L89 WeakPolarHBondContact CD2-O 3.23Å; L68-P100 HydrophobicContact CB-CG 4.28Å; L68-P100 HydrophobicContact CD2-CB 4.3Å; L68-P100 HydrophobicContact CD2-CG 4.05Å; L68-P100 HydrophobicContact CG-CB 3.99Å; L68-P100 HydrophobicContact CG-CG 3.98Å; L68-L116 HydrophobicContact CD2-CD2 4.35Å
69	H	95.4	Very high	93.9	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.009	15%	0.146	C	C	.	.	H	α-helix	trans	-59.9	-42.5	174.2	-72.5	82.3	0	0	0	111	R65 T66 P67 A72 S73 I98 W103	R65-H69 HydrophobicContact CB-CB 4.07Å; T66-H69 PolarHBondContact N-ND1 2.87Å; T66-H69 WeakPolarHBondContact O-CB 3.4Å; T66-H69 PolarHBondContact O-N 3.3Å; T66-H69 PolarHBondContact OG1-ND1 2.67Å; P67-H69 PolarHBondContact O-N 3.27Å; H69-A72 PolarHBondContact O-N 2.92Å; H69-S73 WeakPolarHBondContact O-CB 3.24Å; H69-S73 PolarHBondContact O-N 3.47Å; H69-S73 PolarHBondContact O-OG 3.01Å; H69-I98 PolarHBondContact NE2-O 3.09Å; H69-I98 VanDerWaalsContact NE2-O 3.1Å; H69-W103 AromaticContact CD2-CD1 3.59Å; H69-W103 AromaticContact CD2-NE1 3.76Å
70	L	93.1	Very high	94.1	Very high	10 Å²	10	25.4 Å²	25.4	5%	0.052	14%	0.143	C	C	.	.	H	α-helix	trans	-69.4	-43.6	-179.6	-63.6	169.8	0	0	0	112.6	V19 I21 F35 V38 T66 P67 L68 A72 S73 S74	V19-L70 HydrophobicContact CB-CD2 4.09Å; V19-L70 HydrophobicContact CG1-CD2 3.51Å; I21-L70 HydrophobicContact CD1-CD1 3.37Å; I21-L70 HydrophobicContact CD1-CD2 3.84Å; I21-L70 HydrophobicContact CD1-CG 4.23Å; I21-L70 HydrophobicContact CG1-CD1 3.78Å; I21-L70 HydrophobicContact CG1-CD2 3.52Å; I21-L70 HydrophobicContact CG1-CG 4.3Å; F35-L70 HydrophobicContact CD1-CD1 3.45Å; F35-L70 VanDerWaalsContact CD1-CD1 3.45Å; F35-L70 HydrophobicContact CE1-CD1 3.89Å; V38-L70 HydrophobicContact CG1-CB 4.01Å; T66-L70 PolarHBondContact O-N 2.98Å; P67-L70 PolarHBondContact O-N 2.88Å; L68-L70 VanDerWaalsContact C-N 3.28Å; L68-L70 PolarHBondContact O-N 3.08Å; L70-A72 VanDerWaalsContact C-N 3.26Å; L70-A72 PolarHBondContact O-N 2.93Å; L70-S73 WeakPolarHBondContact CA-OG 3.4Å; L70-S73 PolarHBondContact O-N 3.48Å; L70-S73 PolarHBondContact O-OG 3.49Å; L70-S74 WeakPolarHBondContact O-CB 3.42Å; L70-S74 PolarHBondContact O-N 3.11Å; L70-S74 PolarHBondContact O-OG 3.48Å
71	A	95.4	Very high	94.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.6	-37.2	176.3	0	0	0	0	0	111.4	V38 P67 L68 S74 G75 N76 M79 V80 L83	V38-A71 HydrophobicContact CG1-CB 4.05Å; P67-A71 PolarHBondContact O-N 3.12Å; L68-A71 PolarHBondContact O-N 3.31Å; A71-S74 PolarHBondContact O-OG 3.02Å; A71-G75 PolarHBondContact O-N 3.46Å; A71-N76 PolarHBondContact O-N 3.37Å; A71-N76 VanDerWaalsContact O-N 3.15Å; A71-M79 HydrophobicContact CB-CB 4.21Å; A71-M79 HydrophobicContact CB-CG 3.87Å; A71-V80 HydrophobicContact CB-CG2 3.68Å; A71-L83 HydrophobicContact CB-CD1 3.74Å
72	A	96.2	Very high	94.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-72.7	-41.4	177.2	0	0	0	0	0	112.8	L68 H69 L70 S74 G75 V80 P100 A104 Y109 V112 L116	L68-A72 VanDerWaalsContact O-CB 3.27Å; L68-A72 WeakPolarHBondContact O-CB 3.24Å; L68-A72 PolarHBondContact O-N 3.16Å; H69-A72 PolarHBondContact O-N 2.92Å; L70-A72 VanDerWaalsContact C-N 3.26Å; L70-A72 PolarHBondContact O-N 2.93Å; A72-S74 PolarHBondContact O-N 2.99Å; A72-G75 PolarHBondContact O-N 3.05Å; A72-V80 HydrophobicContact CB-CG2 4.49Å; A72-P100 HydrophobicContact CB-CB 3.83Å; A72-P100 VanDerWaalsContact CB-O 3.24Å; A72-P100 WeakPolarHBondContact CB-O 3.13Å; A72-A104 HydrophobicContact CB-CB 4.4Å; A72-Y109 WeakPolarHBondContact O-CD2 3.5Å; A72-V112 HydrophobicContact CB-CG1 4.1Å; A72-L116 HydrophobicContact CB-CD1 4.16Å
73	S	94.1	Very high	94.9	Very high	16 Å²	16	22.5 Å²	22.5	11%	0.112	13%	0.128	C	C	.	.	H	α-helix	trans	-69.1	-17.1	175.8	71.9	0	0	0	0	113.3	V19 H69 L70 Y109	V19-S73 WeakPolarHBondContact CG2-OG 3.18Å; H69-S73 WeakPolarHBondContact O-CB 3.24Å; H69-S73 PolarHBondContact O-N 3.47Å; H69-S73 PolarHBondContact O-OG 3.01Å; L70-S73 WeakPolarHBondContact CA-OG 3.4Å; L70-S73 PolarHBondContact O-N 3.48Å; L70-S73 PolarHBondContact O-OG 3.49Å; S73-Y109 WeakPolarHBondContact O-CE2 3.34Å
74	S	92.4	Very high	95.2	Very high	61 Å²	61	20.8 Å²	20.8	43%	0.427	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	3.2	175.6	79.7	0	0	0	0	113.4	L70 A71 A72 N76	L70-S74 WeakPolarHBondContact O-CB 3.42Å; L70-S74 PolarHBondContact O-N 3.11Å; L70-S74 PolarHBondContact O-OG 3.48Å; A71-S74 PolarHBondContact O-OG 3.02Å; A72-S74 PolarHBondContact O-N 2.99Å; S74-N76 PolarHBondContact O-N 3.4Å; S74-N76 VanDerWaalsContact O-N 3.14Å; S74-N76 WeakPolarHBondContact OG-CB 3.13Å
75	G	93.6	Very high	95.3	Very high	24 Å²	24	24.5 Å²	24.5	25%	0.247	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	14.5	179.7	0	0	0	0	0	115.1	A71 A72 L77 Y109	A71-G75 PolarHBondContact O-N 3.46Å; A72-G75 PolarHBondContact O-N 3.05Å; G75-L77 PolarHBondContact O-N 3.25Å; G75-L77 VanDerWaalsContact O-N 3.09Å; G75-Y109 VanDerWaalsContact N-CD2 3.33Å
76	N	94	Very high	95.2	Very high	17 Å²	17	24.5 Å²	24.5	9%	0.091	14%	0.142	C	C	.	.			trans	-88.1	84.9	-169.8	-177	-8.8	0	0	0	111.7	N41 A71 S74 P78 M79 V80	N41-N76 PolarHBondContact ND2-ND2 3.34Å; N41-N76 PolarHBondContact OD1-ND2 3.42Å; A71-N76 PolarHBondContact O-N 3.37Å; A71-N76 VanDerWaalsContact O-N 3.15Å; S74-N76 PolarHBondContact O-N 3.4Å; S74-N76 VanDerWaalsContact O-N 3.14Å; S74-N76 WeakPolarHBondContact OG-CB 3.13Å; N76-P78 WeakPolarHBondContact OD1-CD 3.43Å; N76-M79 HydrophobicContact CB-CB 4.09Å; N76-M79 WeakPolarHBondContact ND2-CB 3.13Å; N76-M79 PolarHBondContact O-N 2.96Å; N76-M79 WeakPolarHBondContact OD1-CB 3.49Å; N76-M79 PolarHBondContact OD1-N 3.42Å; N76-M79 VanDerWaalsContact OD1-N 3.1Å; N76-V80 WeakPolarHBondContact O-CG2 3.35Å; N76-V80 PolarHBondContact O-N 2.94Å
77	L	97	Very high	95	Very high	41 Å²	41	34.9 Å²	34.9	22%	0.215	18%	0.181	C	C	.	.	H	α-helix	trans	-56.4	-45.9	-178.2	178.2	67.6	0	0	0	113.8	G75 M79 V80 K81 N111 V112 Y115	G75-L77 PolarHBondContact O-N 3.25Å; G75-L77 VanDerWaalsContact O-N 3.09Å; L77-M79 VanDerWaalsContact C-N 3.34Å; L77-M79 PolarHBondContact O-N 3.46Å; L77-V80 PolarHBondContact O-N 3.29Å; L77-K81 HydrophobicContact CD1-CD 4.47Å; L77-K81 HydrophobicContact CD1-CG 4.22Å; L77-K81 HydrophobicContact CG-CD 4.29Å; L77-K81 HydrophobicContact CG-CG 4.44Å; L77-K81 WeakPolarHBondContact O-CG 3.3Å; L77-K81 PolarHBondContact O-N 2.64Å; L77-N111 HydrophobicContact CD2-CB 4.22Å; L77-V112 HydrophobicContact CB-CG2 4.11Å; L77-Y115 HydrophobicContact CD1-CD1 4.21Å; L77-Y115 HydrophobicContact CD1-CD2 4.37Å; L77-Y115 HydrophobicContact CD1-CG 3.79Å
78	P	96.8	Very high	95.1	Very high	74 Å²	74	35.2 Å²	35.2	48%	0.481	18%	0.184	S	C	.	.	H	α-helix	trans	-53.7	-50.3	175.1	-27.6	34.8	0	0	0	112.2	F43 N76 V80 K81 L82	F43-P78 HydrophobicContact CD2-CB 4.26Å; F43-P78 HydrophobicContact CE2-CB 3.87Å; F43-P78 WeakPolarHBondContact CE2-O 3.47Å; N76-P78 WeakPolarHBondContact OD1-CD 3.43Å; P78-V80 VanDerWaalsContact C-N 3.34Å; P78-V80 PolarHBondContact O-N 3.43Å; P78-K81 WeakPolarHBondContact O-CB 3.35Å; P78-K81 PolarHBondContact O-N 3.48Å; P78-L82 PolarHBondContact O-N 3.15Å
79	M	96.9	Very high	95	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.6	-38.6	-179.3	-171.3	66	69.5	0	0	112.5	V38 F43 V46 A71 N76 L77 K81 L82 L83	V38-M79 HydrophobicContact CG1-CG 4.21Å; V38-M79 HydrophobicContact CG2-CG 4.44Å; V38-M79 HydrophobicContact CG2-SD 4.21Å; F43-M79 HydrophobicContact CB-CE 4.33Å; F43-M79 HydrophobicContact CD2-CE 4.19Å; F43-M79 HydrophobicContact CD2-SD 4.5Å; V46-M79 HydrophobicContact CB-CE 4.41Å; V46-M79 HydrophobicContact CB-SD 3.87Å; V46-M79 HydrophobicContact CG1-SD 3.84Å; V46-M79 HydrophobicContact CG2-CE 3.98Å; V46-M79 HydrophobicContact CG2-SD 3.74Å; A71-M79 HydrophobicContact CB-CB 4.21Å; A71-M79 HydrophobicContact CB-CG 3.87Å; N76-M79 HydrophobicContact CB-CB 4.09Å; N76-M79 WeakPolarHBondContact ND2-CB 3.13Å; N76-M79 PolarHBondContact O-N 2.96Å; N76-M79 WeakPolarHBondContact OD1-CB 3.49Å; N76-M79 PolarHBondContact OD1-N 3.42Å; N76-M79 VanDerWaalsContact OD1-N 3.1Å; L77-M79 VanDerWaalsContact C-N 3.34Å; L77-M79 PolarHBondContact O-N 3.46Å; M79-K81 VanDerWaalsContact C-N 3.34Å; M79-L82 PolarHBondContact O-N 3.15Å; M79-L82 HydrophobicContact SD-CD2 4.16Å; M79-L83 HydrophobicContact CG-CD1 4.2Å; M79-L83 VanDerWaalsContact O-CG 3.31Å; M79-L83 WeakPolarHBondContact O-CG 3.38Å; M79-L83 PolarHBondContact O-N 3.44Å
80	V	97.6	Very high	95	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.2	-46.2	173.6	168.6	0	0	0	0	110.6	L68 A71 A72 N76 L77 P78 L83 V84 V112 Y115 L116	L68-V80 HydrophobicContact CD1-CB 4.41Å; L68-V80 HydrophobicContact CD1-CG1 4.01Å; L68-V80 HydrophobicContact CD1-CG2 4.39Å; A71-V80 HydrophobicContact CB-CG2 3.68Å; A72-V80 HydrophobicContact CB-CG2 4.49Å; N76-V80 WeakPolarHBondContact O-CG2 3.35Å; N76-V80 PolarHBondContact O-N 2.94Å; L77-V80 PolarHBondContact O-N 3.29Å; P78-V80 VanDerWaalsContact C-N 3.34Å; P78-V80 PolarHBondContact O-N 3.43Å; V80-L83 PolarHBondContact O-N 3.09Å; V80-V84 VanDerWaalsContact O-CG2 3.3Å; V80-V84 WeakPolarHBondContact O-CG2 3.46Å; V80-V84 PolarHBondContact O-N 3.12Å; V80-V112 HydrophobicContact CG1-CG1 4.43Å; V80-V112 HydrophobicContact CG2-CG1 4.01Å; V80-V112 HydrophobicContact CG2-CG2 4.5Å; V80-Y115 HydrophobicContact CG1-CD1 3.71Å; V80-Y115 HydrophobicContact CG1-CE1 3.96Å; V80-L116 HydrophobicContact CG1-CD2 3.94Å; V80-L116 HydrophobicContact CG1-CG 4.28Å
81	K	97.8	Very high	95	Very high	83 Å²	83	42 Å²	42	36%	0.361	22%	0.221	S	C	.	.	H	α-helix	trans	-59.3	-49.8	175.9	-73.6	177.7	172.7	-172.1	0	111.5	L77 P78 M79 L83 V84 E85 Y115	L77-K81 HydrophobicContact CD1-CD 4.47Å; L77-K81 HydrophobicContact CD1-CG 4.22Å; L77-K81 HydrophobicContact CG-CD 4.29Å; L77-K81 HydrophobicContact CG-CG 4.44Å; L77-K81 WeakPolarHBondContact O-CG 3.3Å; L77-K81 PolarHBondContact O-N 2.64Å; P78-K81 WeakPolarHBondContact O-CB 3.35Å; P78-K81 PolarHBondContact O-N 3.48Å; M79-K81 VanDerWaalsContact C-N 3.34Å; K81-L83 VanDerWaalsContact C-N 3.32Å; K81-L83 PolarHBondContact O-N 2.73Å; K81-V84 PolarHBondContact O-N 2.71Å; K81-E85 WeakPolarHBondContact O-CB 3.33Å; K81-E85 VanDerWaalsContact O-CG 3.29Å; K81-E85 WeakPolarHBondContact O-CG 3.27Å; K81-E85 PolarHBondContact O-N 2.8Å; K81-Y115 HydrophobicContact CD-CE2 4.35Å; K81-Y115 HydrophobicContact CG-CD1 4.36Å; K81-Y115 HydrophobicContact CG-CD2 4.15Å; K81-Y115 HydrophobicContact CG-CE1 3.89Å; K81-Y115 HydrophobicContact CG-CE2 3.67Å; K81-Y115 HydrophobicContact CG-CG 4.47Å
82	L	95.4	Very high	95	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.052	22%	0.223	C	C	.	.	H	α-helix	trans	-57.2	-44.6	180	-179	66.9	0	0	0	112.1	F43 V46 N47 I50 P78 M79 G86	F43-L82 HydrophobicContact CD1-CD2 4.14Å; F43-L82 HydrophobicContact CD2-CD2 3.88Å; F43-L82 HydrophobicContact CE1-CD1 4.18Å; F43-L82 HydrophobicContact CE1-CD2 3.94Å; F43-L82 HydrophobicContact CE1-CG 4.47Å; F43-L82 HydrophobicContact CE2-CB 3.61Å; F43-L82 HydrophobicContact CE2-CD2 3.67Å; F43-L82 HydrophobicContact CE2-CG 4.13Å; F43-L82 HydrophobicContact CG-CD2 4.12Å; F43-L82 HydrophobicContact CZ-CB 3.69Å; F43-L82 HydrophobicContact CZ-CD1 3.92Å; F43-L82 HydrophobicContact CZ-CD2 3.71Å; F43-L82 HydrophobicContact CZ-CG 3.96Å; V46-L82 HydrophobicContact CB-CD2 3.9Å; V46-L82 HydrophobicContact CG1-CD2 3.72Å; V46-L82 HydrophobicContact CG1-CG 4.43Å; N47-L82 HydrophobicContact CB-CD1 4.11Å; N47-L82 HydrophobicContact CB-CD2 4.09Å; N47-L82 WeakPolarHBondContact OD1-CD1 3.33Å; I50-L82 HydrophobicContact CD1-CD1 4.31Å; I50-L82 HydrophobicContact CD1-CD2 4.41Å; I50-L82 HydrophobicContact CD1-CG 3.87Å; P78-L82 PolarHBondContact O-N 3.15Å; M79-L82 PolarHBondContact O-N 3.15Å; M79-L82 HydrophobicContact SD-CD2 4.16Å; L82-G86 PolarHBondContact O-N 2.97Å
83	L	95.7	Very high	95	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.4	-43.4	178.3	-70.8	170.3	0	0	0	111.8	V38 V46 I50 I57 P67 L68 A71 M79 V80 K81 G86 R87 A88	V38-L83 HydrophobicContact CG2-CD1 4.31Å; V38-L83 HydrophobicContact CG2-CD2 4.45Å; V46-L83 HydrophobicContact CG1-CD2 3.95Å; I50-L83 HydrophobicContact CD1-CD2 4.46Å; I57-L83 HydrophobicContact CG2-CD2 3.98Å; P67-L83 HydrophobicContact CB-CD1 4.18Å; P67-L83 HydrophobicContact CB-CD2 4.19Å; L68-L83 HydrophobicContact CD1-CB 4.16Å; L68-L83 HydrophobicContact CD1-CD1 4.34Å; A71-L83 HydrophobicContact CB-CD1 3.74Å; M79-L83 HydrophobicContact CG-CD1 4.2Å; M79-L83 VanDerWaalsContact O-CG 3.31Å; M79-L83 WeakPolarHBondContact O-CG 3.38Å; M79-L83 PolarHBondContact O-N 3.44Å; V80-L83 PolarHBondContact O-N 3.09Å; K81-L83 VanDerWaalsContact C-N 3.32Å; K81-L83 PolarHBondContact O-N 2.73Å; L83-G86 CarbonylContact O-C 3.47Å; L83-G86 WeakPolarHBondContact O-CA 3.46Å; L83-G86 PolarHBondContact O-N 2.96Å; L83-R87 PolarHBondContact O-N 3.1Å; L83-A88 HydrophobicContact CB-CB 4.1Å; L83-A88 WeakPolarHBondContact O-CB 3.36Å; L83-A88 PolarHBondContact O-N 2.84Å
84	V	95.9	Very high	94.9	Very high	21 Å²	21	44 Å²	44	13%	0.127	23%	0.232	C	C	.	.	H	α-helix	trans	-66.4	-43.2	178.9	172.2	0	0	0	0	111.4	L68 V80 K81 G86 R87 V90 Y115 M119	L68-V84 HydrophobicContact CD1-CG2 4.03Å; L68-V84 HydrophobicContact CD2-CG2 4.23Å; V80-V84 VanDerWaalsContact O-CG2 3.3Å; V80-V84 WeakPolarHBondContact O-CG2 3.46Å; V80-V84 PolarHBondContact O-N 3.12Å; K81-V84 PolarHBondContact O-N 2.71Å; V84-G86 PolarHBondContact O-N 2.83Å; V84-R87 WeakPolarHBondContact O-CA 3.4Å; V84-R87 PolarHBondContact O-N 3.22Å; V84-V90 HydrophobicContact CG1-CG2 4.18Å; V84-V90 HydrophobicContact CG2-CG2 4.39Å; V84-Y115 HydrophobicContact CB-CE1 4.24Å; V84-Y115 HydrophobicContact CG1-CE1 4.46Å; V84-Y115 HydrophobicContact CG2-CE1 4.17Å; V84-M119 HydrophobicContact CG1-CB 4.45Å; V84-M119 HydrophobicContact CG1-CG 4.07Å; V84-M119 HydrophobicContact CG1-SD 4.14Å
85	E	93.8	Very high	95	Very high	140 Å²	140	45.7 Å²	45.7	65%	0.654	23%	0.232	S	C	*	.	H	α-helix	trans	-61.4	-35	172.9	-72.2	167	-169.6	0	0	111.5	K81 R87	K81-E85 WeakPolarHBondContact O-CB 3.33Å; K81-E85 VanDerWaalsContact O-CG 3.29Å; K81-E85 WeakPolarHBondContact O-CG 3.27Å; K81-E85 PolarHBondContact O-N 2.8Å; E85-R87 PolarHBondContact O-N 2.88Å; E85-R87 VanDerWaalsContact O-N 3.12Å
86	G	92	Very high	95	Very high	14 Å²	14	47.4 Å²	47.4	14%	0.144	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	6.2	169.2	0	0	0	0	0	115.3	I57 L82 L83 V84	I57-G86 WeakPolarHBondContact CD1-O 3.39Å; L82-G86 PolarHBondContact O-N 2.97Å; L83-G86 CarbonylContact O-C 3.47Å; L83-G86 WeakPolarHBondContact O-CA 3.46Å; L83-G86 PolarHBondContact O-N 2.96Å; V84-G86 PolarHBondContact O-N 2.83Å
87	R	92	Very high	95	Very high	218 Å²	218	47 Å²	47	82%	0.823	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.6	30.3	-176.9	-47.6	179.1	177.7	-176.6	-0.6	114.7	L83 V84 E85 L89	L83-R87 PolarHBondContact O-N 3.1Å; V84-R87 WeakPolarHBondContact O-CA 3.4Å; V84-R87 PolarHBondContact O-N 3.22Å; E85-R87 PolarHBondContact O-N 2.88Å; E85-R87 VanDerWaalsContact O-N 3.12Å; R87-L89 PolarHBondContact O-N 3.03Å
88	A	94.6	Very high	95	Very high	8 Å²	8	46.2 Å²	46.2	7%	0.066	23%	0.228	C	C	.	.			trans	-59.8	137.6	163.2	0	0	0	0	0	109.9	I57 L68 L83 V90	I57-A88 HydrophobicContact CG2-CB 3.78Å; L68-A88 HydrophobicContact CD2-CB 4.43Å; L83-A88 HydrophobicContact CB-CB 4.1Å; L83-A88 WeakPolarHBondContact O-CB 3.36Å; L83-A88 PolarHBondContact O-N 2.84Å; A88-V90 PolarHBondContact O-N 2.98Å
89	L	95.4	Very high	95	Very high	100 Å²	100	42.7 Å²	42.7	52%	0.524	21%	0.205	S	C	.	.			trans	-59.6	128.4	168.8	-64.9	171.9	0	0	0	108	N58 L68 R87 P92	N58-L89 HydrophobicContact CB-CD1 4.35Å; N58-L89 WeakPolarHBondContact OD1-CB 3.33Å; N58-L89 WeakPolarHBondContact OD1-CG 3.49Å; N58-L89 PolarHBondContact OD1-N 3.27Å; L68-L89 WeakPolarHBondContact CD2-O 3.23Å; R87-L89 PolarHBondContact O-N 3.03Å; L89-P92 WeakPolarHBondContact O-CD 3.24Å
90	V	95.1	Very high	95	Very high	27 Å²	27	42.7 Å²	42.7	16%	0.164	21%	0.205	C	C	.	.	S	Bend	trans	-73.5	-31.4	-177.9	175.5	0	0	0	0	111.8	V84 A88 P92 L116 M119 A121	V84-V90 HydrophobicContact CG1-CG2 4.18Å; V84-V90 HydrophobicContact CG2-CG2 4.39Å; A88-V90 PolarHBondContact O-N 2.98Å; V90-P92 WeakPolarHBondContact O-CD 3.46Å; V90-L116 HydrophobicContact CG1-CD2 4.3Å; V90-M119 HydrophobicContact CG1-CB 4.15Å; V90-M119 HydrophobicContact CG2-CB 4.08Å; V90-A121 HydrophobicContact CG1-CB 3.77Å
91	D	94.5	Very high	95	Very high	27 Å²	27	42.7 Å²	42.7	14%	0.144	21%	0.205	C	C	.	.	S	Bend	trans	-124.8	44.2	-169.1	-139.4	16.7	0	0	0	114.6	T99 K122 R125	D91-T99 WeakPolarHBondContact OD1-CG2 3.3Å; D91-K122 WeakPolarHBondContact OD2-CB 3.39Å; D91-K122 VanDerWaalsContact OD2-CG 3.23Å; D91-K122 WeakPolarHBondContact OD2-CG 3.45Å; D91-K122 PolarHBondContact OD2-N 2.96Å; D91-R125 VanDerWaalsContact CB-NH1 3.34Å; D91-R125 PolarHBondContact O-NH1 3.17Å; D91-R125 IonicContact OD1-NH1 2.87Å; D91-R125 IonicContact OD2-CZ 3.54Å; D91-R125 IonicContact OD2-NH1 3.21Å; D91-R125 PolarHBondContact OD2-NH1 3.02Å
92	P	94.8	Very high	94.9	Very high	8 Å²	8	38.7 Å²	38.7	5%	0.052	19%	0.188	C	C	.	.			trans	-68.3	157.6	170.7	31.9	-34.3	0	0	0	109.5	T66 L89 V90 T99 P100	T66-P92 HydrophobicContact CG2-CB 3.89Å; T66-P92 HydrophobicContact CG2-CG 4Å; L89-P92 WeakPolarHBondContact O-CD 3.24Å; V90-P92 WeakPolarHBondContact O-CD 3.46Å; P92-T99 WeakPolarHBondContact O-CA 3.39Å; P92-P100 HydrophobicContact CG-CG 3.81Å; P92-P100 VanDerWaalsContact O-CD 3.3Å; P92-P100 WeakPolarHBondContact O-CD 3.35Å
93	V	94.7	Very high	94.9	Very high	46 Å²	46	39 Å²	39	28%	0.279	19%	0.188	S	C	.	.			trans	-119.4	138	175.8	-68.8	0	0	0	0	109.4	I98 T99	V93-I98 WeakPolarHBondContact CA-O 3.45Å; V93-T99 HydrophobicContact CG1-CG2 3.85Å
94	D	94.1	Very high	95	Very high	4 Å²	4	39 Å²	39	2%	0.021	19%	0.188	C	C	.	.			trans	-78.9	-174.7	171.4	74.9	10.6	0	0	0	112.2	F63 R65 F96 G97 I98 W103	F63-D94 WeakPolarHBondContact O-CB 3.41Å; R65-D94 HydrophobicContact CG-CB 3.65Å; D94-F96 PolarHBondContact O-N 3.39Å; D94-F96 VanDerWaalsContact O-N 3.12Å; D94-F96 WeakPolarHBondContact OD1-CA 3.5Å; D94-F96 WeakPolarHBondContact OD1-CB 3.5Å; D94-F96 PolarHBondContact OD1-N 2.97Å; D94-G97 PolarHBondContact O-N 3.35Å; D94-G97 PolarHBondContact OD1-N 2.66Å; D94-I98 PolarHBondContact N-O 2.98Å; D94-I98 PolarHBondContact OD1-N 3.19Å; D94-I98 WeakPolarHBondContact OD2-CB 3.49Å; D94-W103 PolarHBondContact OD2-NE1 3.4Å
95	K	94.2	Very high	95	Very high	97 Å²	97	38 Å²	38	42%	0.422	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.8	-177.9	-174.9	173.7	-176.4	176.7	0	112.8	F63 D64 K128	F63-K95 VanDerWaalsContact O-CB 3.24Å; F63-K95 WeakPolarHBondContact O-CB 3.37Å; F63-K95 PolarHBondContact O-N 3.04Å; D64-K95 HydrophobicContact CB-CB 4.49Å; K95-K128 VanDerWaalsContact O-CD 3.32Å; K95-K128 WeakPolarHBondContact O-CD 3.4Å; K95-K128 VanDerWaalsContact O-CE 3.24Å; K95-K128 WeakPolarHBondContact O-CE 3.47Å; K95-K128 PolarHBondContact O-NZ 2.99Å
96	F	93.4	Very high	95.1	Very high	61 Å²	61	34 Å²	34	27%	0.268	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-1.7	178.4	-53.5	-74.5	0	0	0	112.5	V11 F63 D94 I98 K128	V11-F96 HydrophobicContact CG2-CD1 3.79Å; V11-F96 HydrophobicContact CG2-CE1 3.63Å; V11-F96 HydrophobicContact CG2-CZ 4.25Å; F63-F96 HydrophobicContact CD1-CE2 4.15Å; F63-F96 HydrophobicContact CD1-CZ 4.4Å; D94-F96 PolarHBondContact O-N 3.39Å; D94-F96 VanDerWaalsContact O-N 3.12Å; D94-F96 WeakPolarHBondContact OD1-CA 3.5Å; D94-F96 WeakPolarHBondContact OD1-CB 3.5Å; D94-F96 PolarHBondContact OD1-N 2.97Å; F96-I98 HydrophobicContact CB-CD1 4.07Å; F96-I98 HydrophobicContact CB-CG1 4.06Å; F96-K128 WeakPolarHBondContact O-CB 3.41Å; F96-K128 WeakPolarHBondContact O-CG 3.24Å; F96-K128 PolarHBondContact O-N 3.25Å
97	G	94.4	Very high	95.2	Very high	8 Å²	8	35.6 Å²	35.6	8%	0.082	17%	0.167	C	C	.	.	S	Bend	trans	82.3	15.4	-176.8	0	0	0	0	0	113.4	D94	D94-G97 PolarHBondContact O-N 3.35Å; D94-G97 PolarHBondContact OD1-N 2.66Å
98	I	96.3	Very high	95.4	Very high	24 Å²	24	28.3 Å²	28.3	12%	0.123	14%	0.144	C	C	.	.			trans	-87.5	136.1	179.7	-53.9	174.6	0	0	0	108.2	H69 V93 D94 F96 F102 W103 T127 F136	H69-I98 PolarHBondContact NE2-O 3.09Å; H69-I98 VanDerWaalsContact NE2-O 3.1Å; V93-I98 WeakPolarHBondContact CA-O 3.45Å; D94-I98 PolarHBondContact N-O 2.98Å; D94-I98 PolarHBondContact OD1-N 3.19Å; D94-I98 WeakPolarHBondContact OD2-CB 3.49Å; F96-I98 HydrophobicContact CB-CD1 4.07Å; F96-I98 HydrophobicContact CB-CG1 4.06Å; I98-F102 HydrophobicContact CG2-CB 3.55Å; I98-W103 VanDerWaalsContact CG2-CD1 3.44Å; I98-W103 HydrophobicContact CG2-CD2 4.49Å; I98-W103 HydrophobicContact CG2-CG 4.12Å; I98-T127 HydrophobicContact CG1-CG2 3.94Å; I98-F136 HydrophobicContact CD1-CZ 4.48Å; I98-F136 HydrophobicContact CG1-CZ 4.37Å
99	T	96.4	Very high	95.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.			trans	-96.5	163.9	177.5	62.5	0	0	0	0	111.4	D91 P92 V93 L101 F102 W103	D91-T99 WeakPolarHBondContact OD1-CG2 3.3Å; P92-T99 WeakPolarHBondContact O-CA 3.39Å; V93-T99 HydrophobicContact CG1-CG2 3.85Å; T99-L101 PolarHBondContact O-N 3.29Å; T99-F102 PolarHBondContact O-N 3Å; T99-F102 PolarHBondContact OG1-N 2.97Å; T99-W103 VanDerWaalsContact O-CD1 3.31Å; T99-W103 PolarHBondContact O-N 3.12Å; T99-W103 VanDerWaalsContact O-N 3.09Å
100	P	97	Very high	95.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-54.1	-35.7	171.8	-26.4	35	0	0	0	112.8	L68 A72 P92 W103 A104 L116	L68-P100 HydrophobicContact CB-CG 4.28Å; L68-P100 HydrophobicContact CD2-CB 4.3Å; L68-P100 HydrophobicContact CD2-CG 4.05Å; L68-P100 HydrophobicContact CG-CB 3.99Å; L68-P100 HydrophobicContact CG-CG 3.98Å; A72-P100 HydrophobicContact CB-CB 3.83Å; A72-P100 VanDerWaalsContact CB-O 3.24Å; A72-P100 WeakPolarHBondContact CB-O 3.13Å; P92-P100 HydrophobicContact CG-CG 3.81Å; P92-P100 VanDerWaalsContact O-CD 3.3Å; P92-P100 WeakPolarHBondContact O-CD 3.35Å; P100-W103 PolarHBondContact O-N 3.37Å; P100-A104 PolarHBondContact O-N 2.77Å; P100-L116 HydrophobicContact CB-CD1 4.18Å
101	L	97.3	Very high	95.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.5	-48.3	173.7	174.1	62.7	0	0	0	111.1	T99 W103 A104 V105 A113 L116 L117 A121 I133	T99-L101 PolarHBondContact O-N 3.29Å; L101-W103 VanDerWaalsContact C-N 3.32Å; L101-W103 PolarHBondContact O-N 3.39Å; L101-A104 WeakPolarHBondContact O-CB 3.24Å; L101-A104 PolarHBondContact O-N 2.86Å; L101-A104 VanDerWaalsContact O-N 3.11Å; L101-V105 HydrophobicContact CD1-CG2 4.12Å; L101-V105 HydrophobicContact CG-CG2 4.39Å; L101-V105 VanDerWaalsContact O-CG2 3.3Å; L101-V105 WeakPolarHBondContact O-CG2 3.15Å; L101-V105 PolarHBondContact O-N 3.23Å; L101-A113 HydrophobicContact CD1-CB 4.05Å; L101-L116 HydrophobicContact CB-CD1 4.33Å; L101-L116 HydrophobicContact CD1-CB 4.25Å; L101-L117 HydrophobicContact CD1-CD1 4.41Å; L101-L117 HydrophobicContact CD1-CD2 4.31Å; L101-L117 HydrophobicContact CD1-CG 3.92Å; L101-L117 HydrophobicContact CD2-CD2 3.64Å; L101-L117 HydrophobicContact CD2-CG 4.17Å; L101-A121 HydrophobicContact CB-CB 4.1Å; L101-A121 HydrophobicContact CD2-CB 3.9Å; L101-I133 HydrophobicContact CD2-CD1 3.9Å; L101-I133 HydrophobicContact CG-CD1 4.26Å
102	F	96.7	Very high	95.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.2	-36.2	-178.7	-74.6	11.5	0	0	0	112.2	I98 T99 V105 Y106 R125 T127 I133 F136	I98-F102 HydrophobicContact CG2-CB 3.55Å; T99-F102 PolarHBondContact O-N 3Å; T99-F102 PolarHBondContact OG1-N 2.97Å; F102-V105 PolarHBondContact O-N 3.33Å; F102-Y106 WeakPolarHBondContact O-CB 3.42Å; F102-Y106 PolarHBondContact O-N 2.95Å; F102-R125 HydrophobicContact CZ-CB 4.22Å; F102-R125 WeakPolarHBondContact CZ-O 3.49Å; F102-T127 HydrophobicContact CD2-CG2 3.8Å; F102-T127 HydrophobicContact CE2-CG2 3.89Å; F102-I133 HydrophobicContact CD1-CB 4.38Å; F102-I133 HydrophobicContact CD1-CD1 4.49Å; F102-I133 HydrophobicContact CD1-CG1 4.24Å; F102-I133 HydrophobicContact CE1-CB 3.63Å; F102-I133 HydrophobicContact CE1-CD1 4.16Å; F102-I133 HydrophobicContact CE1-CG1 3.92Å; F102-I133 HydrophobicContact CZ-CB 4.05Å; F102-F136 HydrophobicContact CB-CD2 4.18Å; F102-F136 HydrophobicContact CB-CE2 4.08Å; F102-F136 HydrophobicContact CB-CZ 4.35Å; F102-F136 AromaticContact CD2-CD2 3.67Å; F102-F136 HydrophobicContact CD2-CD2 3.67Å; F102-F136 AromaticContact CD2-CE2 3.23Å; F102-F136 HydrophobicContact CD2-CE2 3.23Å; F102-F136 HydrophobicContact CD2-CZ 4.04Å; F102-F136 HydrophobicContact CE2-CD2 4.13Å; F102-F136 AromaticContact CE2-CE2 3.78Å; F102-F136 HydrophobicContact CE2-CE2 3.78Å; F102-F136 AromaticContact CG-CD2 3.91Å; F102-F136 HydrophobicContact CG-CD2 3.91Å; F102-F136 AromaticContact CG-CE2 3.86Å; F102-F136 HydrophobicContact CG-CE2 3.86Å
103	W	95.9	Very high	96	Very high	16 Å²	16	34.5 Å²	34.5	6%	0.061	16%	0.164	C	C	.	.	H	α-helix	trans	-60.9	-42.3	170.6	-78.8	98.3	0	0	0	112.4	C16 V19 H69 D94 I98 T99 P100 L101 V105 N107	C16-W103 HydrophobicContact CB-CZ3 4.41Å; V19-W103 HydrophobicContact CG2-CE3 3.98Å; V19-W103 HydrophobicContact CG2-CH2 4.01Å; V19-W103 HydrophobicContact CG2-CZ3 3.55Å; H69-W103 AromaticContact CD2-CD1 3.59Å; H69-W103 AromaticContact CD2-NE1 3.76Å; D94-W103 PolarHBondContact OD2-NE1 3.4Å; I98-W103 VanDerWaalsContact CG2-CD1 3.44Å; I98-W103 HydrophobicContact CG2-CD2 4.49Å; I98-W103 HydrophobicContact CG2-CG 4.12Å; T99-W103 VanDerWaalsContact O-CD1 3.31Å; T99-W103 PolarHBondContact O-N 3.12Å; T99-W103 VanDerWaalsContact O-N 3.09Å; P100-W103 PolarHBondContact O-N 3.37Å; L101-W103 VanDerWaalsContact C-N 3.32Å; L101-W103 PolarHBondContact O-N 3.39Å; W103-V105 VanDerWaalsContact C-N 3.35Å; W103-N107 PolarHBondContact O-N 3.39Å; W103-N107 PolarHBondContact O-ND2 3.05Å
104	A	97.1	Very high	96.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.4	-37.3	175.2	0	0	0	0	0	112.3	A72 P100 L101 N108 Y109 V112 A113 L116	A72-A104 HydrophobicContact CB-CB 4.4Å; P100-A104 PolarHBondContact O-N 2.77Å; L101-A104 WeakPolarHBondContact O-CB 3.24Å; L101-A104 PolarHBondContact O-N 2.86Å; L101-A104 VanDerWaalsContact O-N 3.11Å; A104-N108 PolarHBondContact O-N 2.89Å; A104-N108 VanDerWaalsContact O-N 3.14Å; A104-Y109 PolarHBondContact O-N 3.22Å; A104-V112 HydrophobicContact CB-CB 4.13Å; A104-V112 HydrophobicContact CB-CG1 3.66Å; A104-A113 HydrophobicContact CB-CB 4.35Å; A104-L116 HydrophobicContact CB-CD1 4.49Å
105	V	96.5	Very high	96.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-70.6	-44.8	178.3	175.5	0	0	0	0	112.1	L101 F102 W103 N107 N108 A113 I133 F136 I137 S140 I145	L101-V105 HydrophobicContact CD1-CG2 4.12Å; L101-V105 HydrophobicContact CG-CG2 4.39Å; L101-V105 VanDerWaalsContact O-CG2 3.3Å; L101-V105 WeakPolarHBondContact O-CG2 3.15Å; L101-V105 PolarHBondContact O-N 3.23Å; F102-V105 PolarHBondContact O-N 3.33Å; W103-V105 VanDerWaalsContact C-N 3.35Å; V105-N107 PolarHBondContact O-N 3.42Å; V105-N108 WeakPolarHBondContact O-CA 3.42Å; V105-N108 PolarHBondContact O-N 3.47Å; V105-A113 HydrophobicContact CG2-CB 4.32Å; V105-I133 HydrophobicContact CG1-CG1 4.4Å; V105-I133 HydrophobicContact CG2-CD1 4.16Å; V105-I133 HydrophobicContact CG2-CG1 4.16Å; V105-F136 HydrophobicContact CB-CB 4.34Å; V105-F136 HydrophobicContact CG1-CB 3.72Å; V105-I137 HydrophobicContact CG1-CB 4.49Å; V105-I137 HydrophobicContact CG1-CG1 3.53Å; V105-S140 PolarHBondContact O-OG 3.45Å; V105-I145 HydrophobicContact CB-CD1 4.49Å; V105-I145 HydrophobicContact CG2-CD1 4.18Å; V105-I145 HydrophobicContact CG2-CG2 4.1Å
106	Y	94.8	Very high	96.4	Very high	55 Å²	55	31 Å²	31	22%	0.216	15%	0.145	C	C	.	.	H	α-helix	trans	-57.5	-39.5	177.3	179.8	-98.5	0	0	0	111.8	C16 F102 N108 F136 E139 S140	C16-Y106 HydrophobicContact CB-CD1 4.1Å; C16-Y106 HydrophobicContact CB-CE1 3.28Å; F102-Y106 WeakPolarHBondContact O-CB 3.42Å; F102-Y106 PolarHBondContact O-N 2.95Å; Y106-N108 VanDerWaalsContact C-N 3.3Å; Y106-F136 AromaticContact CD2-CD1 3.91Å; Y106-F136 HydrophobicContact CD2-CD1 3.91Å; Y106-F136 HydrophobicContact CD2-CE1 4.35Å; Y106-F136 HydrophobicContact CG-CD1 4.31Å; Y106-E139 HydrophobicContact CD2-CG 4.21Å; Y106-E139 HydrophobicContact CE2-CG 3.81Å; Y106-S140 WeakPolarHBondContact O-CB 3.47Å
107	N	94.5	Very high	96.4	Very high	48 Å²	48	29.2 Å²	29.2	26%	0.257	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	7.4	176.3	-64.6	-72	0	0	0	113.6	W103 V105 Y109	W103-N107 PolarHBondContact O-N 3.39Å; W103-N107 PolarHBondContact O-ND2 3.05Å; V105-N107 PolarHBondContact O-N 3.42Å; N107-Y109 VanDerWaalsContact C-N 3.27Å; N107-Y109 HydrophobicContact CB-CD2 3.54Å; N107-Y109 HydrophobicContact CB-CE2 3.31Å; N107-Y109 HydrophobicContact CB-CG 4.35Å; N107-Y109 PolarHBondContact O-N 3.17Å
108	N	95.7	Very high	96.5	Very high	66 Å²	66	33.1 Å²	33.1	35%	0.353	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	34	179.2	-163.8	18.5	0	0	0	114.9	A104 V105 Y106 K110 A142	A104-N108 PolarHBondContact O-N 2.89Å; A104-N108 VanDerWaalsContact O-N 3.14Å; V105-N108 WeakPolarHBondContact O-CA 3.42Å; V105-N108 PolarHBondContact O-N 3.47Å; Y106-N108 VanDerWaalsContact C-N 3.3Å; N108-K110 PolarHBondContact O-N 2.88Å; N108-A142 HydrophobicContact CB-CB 4.38Å; N108-A142 WeakPolarHBondContact OD1-CA 3.39Å; N108-A142 VanDerWaalsContact OD1-CB 3.23Å; N108-A142 WeakPolarHBondContact OD1-CB 3.46Å
109	Y	97.2	Very high	96.5	Very high	91 Å²	91	35.9 Å²	35.9	36%	0.357	17%	0.17	S	C	.	.			trans	-81.2	78.4	176.3	-64.9	-49.4	0	0	0	112	A72 S73 G75 A104 N107 N111 V112 A113	A72-Y109 WeakPolarHBondContact O-CD2 3.5Å; S73-Y109 WeakPolarHBondContact O-CE2 3.34Å; G75-Y109 VanDerWaalsContact N-CD2 3.33Å; A104-Y109 PolarHBondContact O-N 3.22Å; N107-Y109 VanDerWaalsContact C-N 3.27Å; N107-Y109 HydrophobicContact CB-CD2 3.54Å; N107-Y109 HydrophobicContact CB-CE2 3.31Å; N107-Y109 HydrophobicContact CB-CG 4.35Å; N107-Y109 PolarHBondContact O-N 3.17Å; Y109-N111 VanDerWaalsContact C-N 3.32Å; Y109-N111 PolarHBondContact O-N 2.72Å; Y109-V112 PolarHBondContact O-N 3.35Å; Y109-V112 VanDerWaalsContact O-N 3.13Å; Y109-A113 PolarHBondContact O-N 3.06Å
110	K	96.8	Very high	96.3	Very high	110 Å²	110	38.3 Å²	38.3	48%	0.478	20%	0.196	S	C	.	.	H	α-helix	trans	-46.7	-48	-175.6	67.4	-173.3	179.7	-174.3	0	114.4	N108 V112 A113 H114 S144 I145	N108-K110 PolarHBondContact O-N 2.88Å; K110-V112 PolarHBondContact O-N 3.14Å; K110-A113 PolarHBondContact O-N 2.92Å; K110-H114 WeakPolarHBondContact O-CB 3.47Å; K110-H114 PolarHBondContact O-CD2 3.41Å; K110-H114 PolarHBondContact O-N 3.35Å; K110-H114 PolarHBondContact O-ND1 2.86Å; K110-S144 WeakPolarHBondContact CB-OG 3.35Å; K110-I145 HydrophobicContact CB-CG1 4.33Å
111	N	97.8	Very high	96.2	Very high	97 Å²	97	38.6 Å²	38.6	52%	0.519	20%	0.198	S	C	.	.	H	α-helix	trans	-68.4	-39.2	-175.3	-66.8	-20.8	0	0	0	112.5	L77 Y109 Y115	L77-N111 HydrophobicContact CD2-CB 4.22Å; Y109-N111 VanDerWaalsContact C-N 3.32Å; Y109-N111 PolarHBondContact O-N 2.72Å; N111-Y115 WeakPolarHBondContact O-CB 3.46Å; N111-Y115 PolarHBondContact O-N 3.26Å
112	V	97.9	Very high	96	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-68.4	-46.2	175.7	173.5	0	0	0	0	110.2	A72 L77 V80 A104 Y109 K110 H114 Y115 L116	A72-V112 HydrophobicContact CB-CG1 4.1Å; L77-V112 HydrophobicContact CB-CG2 4.11Å; V80-V112 HydrophobicContact CG1-CG1 4.43Å; V80-V112 HydrophobicContact CG2-CG1 4.01Å; V80-V112 HydrophobicContact CG2-CG2 4.5Å; A104-V112 HydrophobicContact CB-CB 4.13Å; A104-V112 HydrophobicContact CB-CG1 3.66Å; Y109-V112 PolarHBondContact O-N 3.35Å; Y109-V112 VanDerWaalsContact O-N 3.13Å; K110-V112 PolarHBondContact O-N 3.14Å; V112-H114 PolarHBondContact O-N 3.13Å; V112-Y115 PolarHBondContact O-N 3.49Å; V112-L116 HydrophobicContact CG1-CD1 3.83Å; V112-L116 HydrophobicContact CG1-CG 4.3Å; V112-L116 WeakPolarHBondContact O-CG 3.36Å; V112-L116 PolarHBondContact O-N 2.89Å
113	A	97.2	Very high	95.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.5	-47	178	0	0	0	0	0	111.7	L101 A104 V105 Y109 K110 Y115 L116 L117 I145	L101-A113 HydrophobicContact CD1-CB 4.05Å; A104-A113 HydrophobicContact CB-CB 4.35Å; V105-A113 HydrophobicContact CG2-CB 4.32Å; Y109-A113 PolarHBondContact O-N 3.06Å; K110-A113 PolarHBondContact O-N 2.92Å; A113-Y115 VanDerWaalsContact C-N 3.33Å; A113-Y115 PolarHBondContact O-N 2.92Å; A113-L116 PolarHBondContact O-N 3.11Å; A113-L117 WeakPolarHBondContact O-CB 3.24Å; A113-L117 WeakPolarHBondContact O-CD1 3.39Å; A113-L117 VanDerWaalsContact O-CG 3.26Å; A113-L117 WeakPolarHBondContact O-CG 3.32Å; A113-L117 PolarHBondContact O-N 3.19Å; A113-I145 HydrophobicContact CB-CD1 3.58Å; A113-I145 HydrophobicContact CB-CG1 4.03Å; A113-I145 HydrophobicContact CB-CG2 4.35Å
114	H	96.7	Very high	95.6	Very high	42 Å²	42	51.5 Å²	51.5	19%	0.194	26%	0.261	C	S	.	.	H	α-helix	trans	-59.7	-42.5	175.5	-64.3	164.8	0	0	0	112.1	K110 V112 N118 Y148	K110-H114 WeakPolarHBondContact O-CB 3.47Å; K110-H114 PolarHBondContact O-CD2 3.41Å; K110-H114 PolarHBondContact O-N 3.35Å; K110-H114 PolarHBondContact O-ND1 2.86Å; V112-H114 PolarHBondContact O-N 3.13Å; H114-N118 WeakPolarHBondContact O-CB 3.42Å; H114-N118 PolarHBondContact O-N 3.26Å; H114-N118 PolarHBondContact O-ND2 3.19Å; H114-N118 VanDerWaalsContact O-ND2 3.17Å; H114-Y148 HydrophobicContact CB-CD2 4.45Å; H114-Y148 HydrophobicContact CB-CE2 4.22Å; H114-Y148 AromaticContact CD2-CD1 3.62Å; H114-Y148 AromaticContact CD2-CD2 3.53Å; H114-Y148 AromaticContact CD2-CG 3.24Å; H114-Y148 AromaticContact CG-CD2 3.81Å; H114-Y148 AromaticContact CG-CG 4Å; H114-Y148 WeakPolarHBondContact NE2-CB 3.2Å; H114-Y148 AromaticContact NE2-CD2 3.75Å; H114-Y148 AromaticContact NE2-CG 3.49Å
115	Y	97.6	Very high	95.4	Very high	31 Å²	31	55.2 Å²	55.2	12%	0.122	28%	0.275	C	S	.	.	H	α-helix	trans	-64.5	-49.1	178	179.6	-98.3	0	0	0	111.7	L77 V80 K81 V84 N111 V112 A113 L117 N118 M119	L77-Y115 HydrophobicContact CD1-CD1 4.21Å; L77-Y115 HydrophobicContact CD1-CD2 4.37Å; L77-Y115 HydrophobicContact CD1-CG 3.79Å; V80-Y115 HydrophobicContact CG1-CD1 3.71Å; V80-Y115 HydrophobicContact CG1-CE1 3.96Å; K81-Y115 HydrophobicContact CD-CE2 4.35Å; K81-Y115 HydrophobicContact CG-CD1 4.36Å; K81-Y115 HydrophobicContact CG-CD2 4.15Å; K81-Y115 HydrophobicContact CG-CE1 3.89Å; K81-Y115 HydrophobicContact CG-CE2 3.67Å; K81-Y115 HydrophobicContact CG-CG 4.47Å; V84-Y115 HydrophobicContact CB-CE1 4.24Å; V84-Y115 HydrophobicContact CG1-CE1 4.46Å; V84-Y115 HydrophobicContact CG2-CE1 4.17Å; N111-Y115 WeakPolarHBondContact O-CB 3.46Å; N111-Y115 PolarHBondContact O-N 3.26Å; V112-Y115 PolarHBondContact O-N 3.49Å; A113-Y115 VanDerWaalsContact C-N 3.33Å; A113-Y115 PolarHBondContact O-N 2.92Å; Y115-L117 VanDerWaalsContact C-N 3.32Å; Y115-L117 PolarHBondContact O-N 2.84Å; Y115-N118 WeakPolarHBondContact O-CB 3.41Å; Y115-N118 PolarHBondContact O-N 3.32Å; Y115-N118 VanDerWaalsContact O-N 3.12Å; Y115-M119 HydrophobicContact CD1-CG 4.04Å; Y115-M119 HydrophobicContact CD2-CE 4.41Å; Y115-M119 HydrophobicContact CD2-CG 4.42Å; Y115-M119 HydrophobicContact CE1-CG 3.6Å; Y115-M119 HydrophobicContact CE1-SD 4.46Å; Y115-M119 HydrophobicContact CE2-CE 3.84Å; Y115-M119 HydrophobicContact CE2-CG 4Å; Y115-M119 HydrophobicContact CE2-SD 4.14Å; Y115-M119 HydrophobicContact CG-CG 4.44Å; Y115-M119 VanDerWaalsContact O-CG 3.3Å; Y115-M119 WeakPolarHBondContact O-CG 3.49Å; Y115-M119 PolarHBondContact O-N 3.14Å
116	L	96.9	Very high	95.2	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.4	-40.5	178.6	-71.2	172.8	0	0	0	112	L68 A72 V80 V90 P100 L101 A104 V112 A113 M119 G120 A121	L68-L116 HydrophobicContact CD2-CD2 4.35Å; A72-L116 HydrophobicContact CB-CD1 4.16Å; V80-L116 HydrophobicContact CG1-CD2 3.94Å; V80-L116 HydrophobicContact CG1-CG 4.28Å; V90-L116 HydrophobicContact CG1-CD2 4.3Å; P100-L116 HydrophobicContact CB-CD1 4.18Å; L101-L116 HydrophobicContact CB-CD1 4.33Å; L101-L116 HydrophobicContact CD1-CB 4.25Å; A104-L116 HydrophobicContact CB-CD1 4.49Å; V112-L116 HydrophobicContact CG1-CD1 3.83Å; V112-L116 HydrophobicContact CG1-CG 4.3Å; V112-L116 WeakPolarHBondContact O-CG 3.36Å; V112-L116 PolarHBondContact O-N 2.89Å; A113-L116 PolarHBondContact O-N 3.11Å; L116-M119 CarbonylContact O-C 3.58Å; L116-M119 PolarHBondContact O-N 2.83Å; L116-M119 VanDerWaalsContact O-N 3.16Å; L116-G120 PolarHBondContact O-N 3.21Å; L116-A121 HydrophobicContact CB-CB 4.07Å; L116-A121 WeakPolarHBondContact O-CB 3.43Å; L116-A121 PolarHBondContact O-N 3.33Å
117	L	94.9	Very high	95.2	Very high	24 Å²	24	57 Å²	57	13%	0.126	29%	0.292	C	S	.	.	H	α-helix	trans	-61.9	-43.6	173.9	-73.3	166.3	0	0	0	112.1	L101 A113 Y115 M119 G120 H123 Y148 L149	L101-L117 HydrophobicContact CD1-CD1 4.41Å; L101-L117 HydrophobicContact CD1-CD2 4.31Å; L101-L117 HydrophobicContact CD1-CG 3.92Å; L101-L117 HydrophobicContact CD2-CD2 3.64Å; L101-L117 HydrophobicContact CD2-CG 4.17Å; A113-L117 WeakPolarHBondContact O-CB 3.24Å; A113-L117 WeakPolarHBondContact O-CD1 3.39Å; A113-L117 VanDerWaalsContact O-CG 3.26Å; A113-L117 WeakPolarHBondContact O-CG 3.32Å; A113-L117 PolarHBondContact O-N 3.19Å; Y115-L117 VanDerWaalsContact C-N 3.32Å; Y115-L117 PolarHBondContact O-N 2.84Å; L117-M119 PolarHBondContact O-N 3.35Å; L117-G120 PolarHBondContact O-N 3.18Å; L117-G120 VanDerWaalsContact O-N 3.12Å; L117-H123 HydrophobicContact CD2-CB 4.03Å; L117-Y148 HydrophobicContact CB-CE1 3.88Å; L117-Y148 HydrophobicContact CD1-CD1 3.63Å; L117-Y148 HydrophobicContact CD1-CE1 3.65Å; L117-Y148 HydrophobicContact CG-CE1 4.41Å; L117-L149 HydrophobicContact CD1-CD2 3.63Å; L117-L149 HydrophobicContact CD1-CG 4.22Å; L117-L149 HydrophobicContact CD2-CD2 3.75Å; L117-L149 HydrophobicContact CG-CD2 4.37Å
118	N	95.2	Very high	95.2	Very high	90 Å²	90	61.4 Å²	61.4	48%	0.481	31%	0.308	S	S	.	.	H	α-helix	trans	-64.7	-28	174.4	-78.5	-39.7	0	0	0	112.8	H114 Y115 G120 Y148	H114-N118 WeakPolarHBondContact O-CB 3.42Å; H114-N118 PolarHBondContact O-N 3.26Å; H114-N118 PolarHBondContact O-ND2 3.19Å; H114-N118 VanDerWaalsContact O-ND2 3.17Å; Y115-N118 WeakPolarHBondContact O-CB 3.41Å; Y115-N118 PolarHBondContact O-N 3.32Å; Y115-N118 VanDerWaalsContact O-N 3.12Å; N118-G120 PolarHBondContact O-N 3Å; N118-Y148 PolarHBondContact ND2-OH 2.95Å; N118-Y148 PolarHBondContact OD1-OH 3.29Å
119	M	95.9	Very high	95.1	Very high	82 Å²	82	61.4 Å²	61.4	40%	0.404	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	8.6	175.3	-63.4	-62.3	113.6	0	0	113.2	V84 V90 Y115 L116 L117	V84-M119 HydrophobicContact CG1-CB 4.45Å; V84-M119 HydrophobicContact CG1-CG 4.07Å; V84-M119 HydrophobicContact CG1-SD 4.14Å; V90-M119 HydrophobicContact CG1-CB 4.15Å; V90-M119 HydrophobicContact CG2-CB 4.08Å; Y115-M119 HydrophobicContact CD1-CG 4.04Å; Y115-M119 HydrophobicContact CD2-CE 4.41Å; Y115-M119 HydrophobicContact CD2-CG 4.42Å; Y115-M119 HydrophobicContact CE1-CG 3.6Å; Y115-M119 HydrophobicContact CE1-SD 4.46Å; Y115-M119 HydrophobicContact CE2-CE 3.84Å; Y115-M119 HydrophobicContact CE2-CG 4Å; Y115-M119 HydrophobicContact CE2-SD 4.14Å; Y115-M119 HydrophobicContact CG-CG 4.44Å; Y115-M119 VanDerWaalsContact O-CG 3.3Å; Y115-M119 WeakPolarHBondContact O-CG 3.49Å; Y115-M119 PolarHBondContact O-N 3.14Å; L116-M119 CarbonylContact O-C 3.58Å; L116-M119 PolarHBondContact O-N 2.83Å; L116-M119 VanDerWaalsContact O-N 3.16Å; L117-M119 PolarHBondContact O-N 3.35Å
120	G	92.7	Very high	95	Very high	52 Å²	52	57.4 Å²	57.4	54%	0.536	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	88	17.2	174.4	0	0	0	0	0	115.4	L116 L117 N118 K122	L116-G120 PolarHBondContact O-N 3.21Å; L117-G120 PolarHBondContact O-N 3.18Å; L117-G120 VanDerWaalsContact O-N 3.12Å; N118-G120 PolarHBondContact O-N 3Å; G120-K122 PolarHBondContact O-N 3.14Å
121	A	95.1	Very high	94.9	Very high	6 Å²	6	54 Å²	54	5%	0.05	28%	0.278	C	S	.	.			trans	-59.1	129.9	170.2	0	0	0	0	0	110.6	V90 L101 L116 H123	V90-A121 HydrophobicContact CG1-CB 3.77Å; L101-A121 HydrophobicContact CB-CB 4.1Å; L101-A121 HydrophobicContact CD2-CB 3.9Å; L116-A121 HydrophobicContact CB-CB 4.07Å; L116-A121 WeakPolarHBondContact O-CB 3.43Å; L116-A121 PolarHBondContact O-N 3.33Å; A121-H123 PolarHBondContact O-N 3.09Å
122	K	93.7	Very high	94.8	Very high	121 Å²	121	50 Å²	50	53%	0.526	26%	0.257	S	S	.	.			trans	-81.9	114.1	-176.1	-60.7	178.2	-178.9	-176.5	0	110.3	D91 G120 N124 R125	D91-K122 WeakPolarHBondContact OD2-CB 3.39Å; D91-K122 VanDerWaalsContact OD2-CG 3.23Å; D91-K122 WeakPolarHBondContact OD2-CG 3.45Å; D91-K122 PolarHBondContact OD2-N 2.96Å; G120-K122 PolarHBondContact O-N 3.14Å; K122-N124 VanDerWaalsContact C-N 3.33Å; K122-R125 HydrophobicContact CB-CG 4.04Å
123	H	91.9	Very high	94.7	Very high	46 Å²	46	50.1 Å²	50.1	21%	0.213	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-19.6	177.9	61.8	-88.7	0	0	0	113.8	L117 A121 R125 I133 L149 S153	L117-H123 HydrophobicContact CD2-CB 4.03Å; A121-H123 PolarHBondContact O-N 3.09Å; H123-R125 VanDerWaalsContact C-N 3.26Å; H123-R125 PolarHBondContact O-N 3.01Å; H123-I133 HydrophobicContact CB-CD1 3.88Å; H123-I133 HydrophobicContact CB-CG2 4.46Å; H123-I133 WeakPolarHBondContact O-CG2 3.3Å; H123-L149 HydrophobicContact CB-CD2 3.96Å; H123-S153 PolarHBondContact NE2-OG 3.17Å
124	N	91.8	Very high	94.6	Very high	120 Å²	120	50.3 Å²	50.3	64%	0.642	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	14.4	-177.4	69.3	-21.4	0	0	0	114.2	K122	K122-N124 VanDerWaalsContact C-N 3.33Å
125	R	91.9	Very high	94.6	Very high	78 Å²	78	48.3 Å²	48.3	29%	0.294	25%	0.249	S	C	.	.			trans	-75.4	156.7	176.3	-68	-172	114.6	140.3	-11.4	111.3	D91 F102 K122 H123	D91-R125 VanDerWaalsContact CB-NH1 3.34Å; D91-R125 PolarHBondContact O-NH1 3.17Å; D91-R125 IonicContact OD1-NH1 2.87Å; D91-R125 IonicContact OD2-CZ 3.54Å; D91-R125 IonicContact OD2-NH1 3.21Å; D91-R125 PolarHBondContact OD2-NH1 3.02Å; F102-R125 HydrophobicContact CZ-CB 4.22Å; F102-R125 WeakPolarHBondContact CZ-O 3.49Å; K122-R125 HydrophobicContact CB-CG 4.04Å; H123-R125 VanDerWaalsContact C-N 3.26Å; H123-R125 PolarHBondContact O-N 3.01Å
126	V	93.5	Very high	94.5	Very high	80 Å²	80	47.7 Å²	47.7	49%	0.485	25%	0.247	S	C	.	.			trans	-125.7	132.9	176.4	-171.8	0	0	0	0	108.2	G130 F131 T132	V126-G130 VanDerWaalsContact CG1-C 3.46Å; V126-F131 WeakPolarHBondContact CA-O 3.26Å; V126-T132 HydrophobicContact CG2-CG2 4.31Å
127	T	95.4	Very high	94.5	Very high	13 Å²	13	47.7 Å²	47.7	8%	0.08	25%	0.247	C	C	.	.			trans	-72.9	171.7	176.9	73.8	0	0	0	0	111.2	I98 F102 Q129 G130 F131 F136	I98-T127 HydrophobicContact CG1-CG2 3.94Å; F102-T127 HydrophobicContact CD2-CG2 3.8Å; F102-T127 HydrophobicContact CE2-CG2 3.89Å; T127-Q129 PolarHBondContact O-N 2.94Å; T127-Q129 VanDerWaalsContact O-N 3.15Å; T127-Q129 PolarHBondContact OG1-N 3.33Å; T127-G130 PolarHBondContact O-N 3.08Å; T127-F131 HydrophobicContact CG2-CB 3.97Å; T127-F131 PolarHBondContact N-O 2.89Å; T127-F131 WeakPolarHBondContact OG1-CB 3.33Å; T127-F131 PolarHBondContact OG1-N 2.98Å; T127-F131 VanDerWaalsContact OG1-N 3.1Å; T127-F136 HydrophobicContact CG2-CE2 3.78Å; T127-F136 HydrophobicContact CG2-CZ 3.94Å
128	K	94.3	Very high	94.6	Very high	140 Å²	140	46.5 Å²	46.5	61%	0.609	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.2	175.3	-65.1	-176.2	-175.6	175.4	0	113.4	K95 F96 N163	K95-K128 VanDerWaalsContact O-CD 3.32Å; K95-K128 WeakPolarHBondContact O-CD 3.4Å; K95-K128 VanDerWaalsContact O-CE 3.24Å; K95-K128 WeakPolarHBondContact O-CE 3.47Å; K95-K128 PolarHBondContact O-NZ 2.99Å; F96-K128 WeakPolarHBondContact O-CB 3.41Å; F96-K128 WeakPolarHBondContact O-CG 3.24Å; F96-K128 PolarHBondContact O-N 3.25Å; K128-N163 PolarHBondContact O-ND2 2.82Å
129	Q	93.5	Very high	94.6	Very high	65 Å²	65	44.6 Å²	44.6	30%	0.304	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	0.9	175.2	-70.8	-175.2	-8.5	0	0	113.2	T127 F131 N163	T127-Q129 PolarHBondContact O-N 2.94Å; T127-Q129 VanDerWaalsContact O-N 3.15Å; T127-Q129 PolarHBondContact OG1-N 3.33Å; Q129-F131 HydrophobicContact CB-CD2 3.65Å; Q129-F131 HydrophobicContact CB-CE2 3.84Å; Q129-N163 WeakPolarHBondContact CA-ND2 3.39Å; Q129-N163 WeakPolarHBondContact O-CB 3.37Å; Q129-N163 PolarHBondContact O-N 3.36Å; Q129-N163 PolarHBondContact O-OD1 3.44Å
130	G	94.4	Very high	94.6	Very high	8 Å²	8	42 Å²	42	8%	0.082	22%	0.22	C	C	.	.			trans	89.1	4.9	-178.3	0	0	0	0	0	114.6	V126 T127 T132	V126-G130 VanDerWaalsContact CG1-C 3.46Å; T127-G130 PolarHBondContact O-N 3.08Å; G130-T132 PolarHBondContact O-N 2.96Å
131	F	95.8	Very high	94.7	Very high	37 Å²	37	42.4 Å²	42.4	16%	0.162	21%	0.209	C	C	.	.			trans	-74.1	127.8	-178.2	-73.5	-112.7	0	0	0	111	V126 T127 Q129 H135 F136 D162 I171	V126-F131 WeakPolarHBondContact CA-O 3.26Å; T127-F131 HydrophobicContact CG2-CB 3.97Å; T127-F131 PolarHBondContact N-O 2.89Å; T127-F131 WeakPolarHBondContact OG1-CB 3.33Å; T127-F131 PolarHBondContact OG1-N 2.98Å; T127-F131 VanDerWaalsContact OG1-N 3.1Å; Q129-F131 HydrophobicContact CB-CD2 3.65Å; Q129-F131 HydrophobicContact CB-CE2 3.84Å; F131-H135 HydrophobicContact CB-CB 4.15Å; F131-H135 HydrophobicContact CD1-CB 3.43Å; F131-H135 VanDerWaalsContact CD1-CB 3.43Å; F131-H135 HydrophobicContact CE1-CB 4.15Å; F131-H135 HydrophobicContact CG-CB 4.14Å; F131-F136 HydrophobicContact CB-CD2 4.36Å; F131-F136 HydrophobicContact CB-CE2 3.64Å; F131-F136 HydrophobicContact CB-CZ 4.07Å; F131-F136 HydrophobicContact CG-CE2 4.47Å; F131-D162 HydrophobicContact CD2-CB 4.13Å; F131-D162 HydrophobicContact CE2-CB 4.03Å; F131-I171 HydrophobicContact CE1-CD1 4.07Å
132	T	94.9	Very high	94.7	Very high	14 Å²	14	42.1 Å²	42.1	9%	0.086	21%	0.207	C	C	.	.			trans	-92.1	170.6	166.8	72.3	0	0	0	0	110.7	V126 G130 L134 H135 F136 T160	V126-T132 HydrophobicContact CG2-CG2 4.31Å; G130-T132 PolarHBondContact O-N 2.96Å; T132-L134 PolarHBondContact O-N 3.29Å; T132-L134 VanDerWaalsContact O-N 3.16Å; T132-L134 PolarHBondContact OG1-N 3.21Å; T132-H135 PolarHBondContact N-ND1 3.15Å; T132-H135 VanDerWaalsContact N-ND1 3.12Å; T132-H135 WeakPolarHBondContact O-CB 3.41Å; T132-H135 PolarHBondContact O-N 3.22Å; T132-H135 PolarHBondContact OG1-ND1 3.16Å; T132-F136 WeakPolarHBondContact O-CD2 3.42Å; T132-F136 PolarHBondContact O-N 2.95Å; T132-T160 HydrophobicContact CG2-CG2 3.72Å
133	I	95.4	Very high	94.8	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-55.3	-33	174.2	-163.3	164.2	0	0	0	112.8	L101 F102 V105 H123 H135 F136 I137 L149	L101-I133 HydrophobicContact CD2-CD1 3.9Å; L101-I133 HydrophobicContact CG-CD1 4.26Å; F102-I133 HydrophobicContact CD1-CB 4.38Å; F102-I133 HydrophobicContact CD1-CD1 4.49Å; F102-I133 HydrophobicContact CD1-CG1 4.24Å; F102-I133 HydrophobicContact CE1-CB 3.63Å; F102-I133 HydrophobicContact CE1-CD1 4.16Å; F102-I133 HydrophobicContact CE1-CG1 3.92Å; F102-I133 HydrophobicContact CZ-CB 4.05Å; V105-I133 HydrophobicContact CG1-CG1 4.4Å; V105-I133 HydrophobicContact CG2-CD1 4.16Å; V105-I133 HydrophobicContact CG2-CG1 4.16Å; H123-I133 HydrophobicContact CB-CD1 3.88Å; H123-I133 HydrophobicContact CB-CG2 4.46Å; H123-I133 WeakPolarHBondContact O-CG2 3.3Å; I133-H135 VanDerWaalsContact C-N 3.34Å; I133-H135 PolarHBondContact O-N 3.24Å; I133-F136 PolarHBondContact O-N 3.1Å; I133-I137 HydrophobicContact CG1-CD1 4.26Å; I133-I137 WeakPolarHBondContact O-CG1 3.42Å; I133-I137 PolarHBondContact O-N 3.37Å; I133-L149 HydrophobicContact CD1-CD1 3.75Å; I133-L149 HydrophobicContact CD1-CD2 4.38Å; I133-L149 HydrophobicContact CG1-CD1 4.23Å; I133-L149 HydrophobicContact CG2-CD1 4.27Å
134	L	95.7	Very high	94.9	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-68.7	-32	178.6	-76.1	175.6	0	0	0	112.6	T132 F136 I137 C138 L146 L156 E157 Y158 P168	T132-L134 PolarHBondContact O-N 3.29Å; T132-L134 VanDerWaalsContact O-N 3.16Å; T132-L134 PolarHBondContact OG1-N 3.21Å; L134-F136 VanDerWaalsContact C-N 3.34Å; L134-I137 HydrophobicContact CD2-CD1 4.23Å; L134-I137 PolarHBondContact O-N 2.98Å; L134-C138 WeakPolarHBondContact O-CB 3.44Å; L134-C138 PolarHBondContact O-N 3.5Å; L134-C138 PolarHBondContact O-SG 3.47Å; L134-L146 HydrophobicContact CD2-CD1 3.55Å; L134-L156 HydrophobicContact CD1-CB 4.4Å; L134-E157 WeakPolarHBondContact CD1-O 3.46Å; L134-Y158 HydrophobicContact CD1-CD1 3.58Å; L134-Y158 HydrophobicContact CD1-CE1 4.01Å; L134-Y158 HydrophobicContact CD1-CG 4.1Å; L134-Y158 HydrophobicContact CD2-CD1 4.48Å; L134-Y158 HydrophobicContact CD2-CE1 4.34Å; L134-P168 HydrophobicContact CB-CB 3.99Å; L134-P168 HydrophobicContact CB-CG 3.72Å
135	H	96.4	Very high	95.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.7	-45	173.5	-65.4	72.7	0	0	0	110.4	F131 T132 I133 C138 E139 T160 D162 M166 I171	F131-H135 HydrophobicContact CB-CB 4.15Å; F131-H135 HydrophobicContact CD1-CB 3.43Å; F131-H135 VanDerWaalsContact CD1-CB 3.43Å; F131-H135 HydrophobicContact CE1-CB 4.15Å; F131-H135 HydrophobicContact CG-CB 4.14Å; T132-H135 PolarHBondContact N-ND1 3.15Å; T132-H135 VanDerWaalsContact N-ND1 3.12Å; T132-H135 WeakPolarHBondContact O-CB 3.41Å; T132-H135 PolarHBondContact O-N 3.22Å; T132-H135 PolarHBondContact OG1-ND1 3.16Å; I133-H135 VanDerWaalsContact C-N 3.34Å; I133-H135 PolarHBondContact O-N 3.24Å; H135-C138 PolarHBondContact O-N 3.34Å; H135-E139 WeakPolarHBondContact O-CB 3.32Å; H135-E139 PolarHBondContact O-N 3.03Å; H135-T160 PolarHBondContact CE1-O 2.93Å; H135-T160 PolarHBondContact NE2-O 3.39Å; H135-D162 PolarHBondContact NE2-N 3.24Å; H135-M166 PolarHBondContact NE2-O 3.12Å; H135-I171 HydrophobicContact CB-CD1 3.75Å; H135-I171 WeakPolarHBondContact CD2-CD1 3.48Å
136	F	96.1	Very high	95.2	Very high	18 Å²	18	28.1 Å²	28.1	8%	0.079	15%	0.149	C	C	.	.	H	α-helix	trans	-63.6	-41.8	176.1	-69.9	-77.5	0	0	0	112.5	I98 F102 V105 Y106 T127 F131 T132 I133 L134 C138 E139 S140	I98-F136 HydrophobicContact CD1-CZ 4.48Å; I98-F136 HydrophobicContact CG1-CZ 4.37Å; F102-F136 HydrophobicContact CB-CD2 4.18Å; F102-F136 HydrophobicContact CB-CE2 4.08Å; F102-F136 HydrophobicContact CB-CZ 4.35Å; F102-F136 AromaticContact CD2-CD2 3.67Å; F102-F136 HydrophobicContact CD2-CD2 3.67Å; F102-F136 AromaticContact CD2-CE2 3.23Å; F102-F136 HydrophobicContact CD2-CE2 3.23Å; F102-F136 HydrophobicContact CD2-CZ 4.04Å; F102-F136 HydrophobicContact CE2-CD2 4.13Å; F102-F136 AromaticContact CE2-CE2 3.78Å; F102-F136 HydrophobicContact CE2-CE2 3.78Å; F102-F136 AromaticContact CG-CD2 3.91Å; F102-F136 HydrophobicContact CG-CD2 3.91Å; F102-F136 AromaticContact CG-CE2 3.86Å; F102-F136 HydrophobicContact CG-CE2 3.86Å; V105-F136 HydrophobicContact CB-CB 4.34Å; V105-F136 HydrophobicContact CG1-CB 3.72Å; Y106-F136 AromaticContact CD2-CD1 3.91Å; Y106-F136 HydrophobicContact CD2-CD1 3.91Å; Y106-F136 HydrophobicContact CD2-CE1 4.35Å; Y106-F136 HydrophobicContact CG-CD1 4.31Å; T127-F136 HydrophobicContact CG2-CE2 3.78Å; T127-F136 HydrophobicContact CG2-CZ 3.94Å; F131-F136 HydrophobicContact CB-CD2 4.36Å; F131-F136 HydrophobicContact CB-CE2 3.64Å; F131-F136 HydrophobicContact CB-CZ 4.07Å; F131-F136 HydrophobicContact CG-CE2 4.47Å; T132-F136 WeakPolarHBondContact O-CD2 3.42Å; T132-F136 PolarHBondContact O-N 2.95Å; I133-F136 PolarHBondContact O-N 3.1Å; L134-F136 VanDerWaalsContact C-N 3.34Å; F136-C138 VanDerWaalsContact C-N 3.29Å; F136-C138 PolarHBondContact O-N 2.87Å; F136-E139 PolarHBondContact O-N 3Å; F136-S140 PolarHBondContact O-N 2.98Å; F136-S140 PolarHBondContact O-OG 3.17Å
137	I	96.7	Very high	95.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.5	-40.7	174.9	-71.2	169.4	0	0	0	111.1	V105 I133 L134 N141 A142 I145 L146 L149 L180	V105-I137 HydrophobicContact CG1-CB 4.49Å; V105-I137 HydrophobicContact CG1-CG1 3.53Å; I133-I137 HydrophobicContact CG1-CD1 4.26Å; I133-I137 WeakPolarHBondContact O-CG1 3.42Å; I133-I137 PolarHBondContact O-N 3.37Å; L134-I137 HydrophobicContact CD2-CD1 4.23Å; L134-I137 PolarHBondContact O-N 2.98Å; I137-N141 VanDerWaalsContact O-CA 3.3Å; I137-N141 WeakPolarHBondContact O-CA 3.35Å; I137-N141 PolarHBondContact O-N 3.24Å; I137-A142 HydrophobicContact CG1-CB 4.35Å; I137-A142 HydrophobicContact CG2-CB 4.39Å; I137-A142 PolarHBondContact O-N 3.3Å; I137-I145 HydrophobicContact CD1-CG2 4.28Å; I137-L146 HydrophobicContact CD1-CB 4.34Å; I137-L146 HydrophobicContact CD1-CD1 4.29Å; I137-L146 HydrophobicContact CG2-CB 4Å; I137-L146 HydrophobicContact CG2-CD2 4.4Å; I137-L149 HydrophobicContact CD1-CD1 3.6Å; I137-L180 HydrophobicContact CG2-CD1 4.5Å; I137-L180 HydrophobicContact CG2-CD2 4.41Å
138	C	96.4	Very high	95	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-73	-32.8	-180	-64.7	0	0	0	0	113.2	L134 H135 F136 P168 I171 A172 N177 L180	L134-C138 WeakPolarHBondContact O-CB 3.44Å; L134-C138 PolarHBondContact O-N 3.5Å; L134-C138 PolarHBondContact O-SG 3.47Å; H135-C138 PolarHBondContact O-N 3.34Å; F136-C138 VanDerWaalsContact C-N 3.29Å; F136-C138 PolarHBondContact O-N 2.87Å; C138-P168 WeakPolarHBondContact CB-O 3.03Å; C138-P168 PolarHBondContact SG-O 2.84Å; C138-I171 HydrophobicContact CB-CB 4.03Å; C138-I171 HydrophobicContact CB-CG2 3.83Å; C138-A172 HydrophobicContact CB-CB 4.09Å; C138-N177 PolarHBondContact O-ND2 2.83Å; C138-L180 HydrophobicContact CB-CD2 4.1Å
139	E	95.2	Very high	94.9	Very high	50 Å²	50	20.8 Å²	20.8	23%	0.234	11%	0.108	C	C	.	.	H	α-helix	trans	-67.4	-42.3	174.4	-175.3	68.5	-168.3	0	0	111.4	Y106 H135 F136 I171 K175	Y106-E139 HydrophobicContact CD2-CG 4.21Å; Y106-E139 HydrophobicContact CE2-CG 3.81Å; H135-E139 WeakPolarHBondContact O-CB 3.32Å; H135-E139 PolarHBondContact O-N 3.03Å; F136-E139 PolarHBondContact O-N 3Å; E139-I171 HydrophobicContact CB-CG2 4.11Å; E139-I171 WeakPolarHBondContact OE2-CG2 3.23Å; E139-K175 WeakPolarHBondContact OE1-CE 3.5Å; E139-K175 IonicContact OE1-NZ 2.67Å; E139-K175 PolarHBondContact OE1-NZ 3.1Å; E139-K175 WeakPolarHBondContact OE2-CE 3.39Å; E139-K175 IonicContact OE2-NZ 3.46Å
140	S	95	Very high	94.7	Very high	28 Å²	28	19.5 Å²	19.5	20%	0.196	10%	0.102	C	C	.	.	H	α-helix	trans	-99.7	0.7	-174.2	70.2	0	0	0	0	115.4	V105 Y106 F136 A142	V105-S140 PolarHBondContact O-OG 3.45Å; Y106-S140 WeakPolarHBondContact O-CB 3.47Å; F136-S140 PolarHBondContact O-N 2.98Å; F136-S140 PolarHBondContact O-OG 3.17Å; S140-A142 VanDerWaalsContact C-N 3.29Å; S140-A142 PolarHBondContact O-N 3.42Å; S140-A142 WeakPolarHBondContact OG-CB 3.44Å
141	N	96.1	Very high	94.3	Very high	59 Å²	59	28.7 Å²	28.7	32%	0.316	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	40.6	-173.2	-159.3	17.8	0	0	0	113.8	I137 L143 N177	I137-N141 VanDerWaalsContact O-CA 3.3Å; I137-N141 WeakPolarHBondContact O-CA 3.35Å; I137-N141 PolarHBondContact O-N 3.24Å; N141-L143 VanDerWaalsContact C-N 3.3Å; N141-L143 PolarHBondContact O-N 3.44Å; N141-N177 WeakPolarHBondContact CB-OD1 3.33Å; N141-N177 PolarHBondContact ND2-OD1 3.33Å
142	A	95.5	Very high	93.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.156	C	C	.	.			trans	-79.7	65	-172.2	0	0	0	0	0	114.3	N108 I137 S140 S144 I145 L146	N108-A142 HydrophobicContact CB-CB 4.38Å; N108-A142 WeakPolarHBondContact OD1-CA 3.39Å; N108-A142 VanDerWaalsContact OD1-CB 3.23Å; N108-A142 WeakPolarHBondContact OD1-CB 3.46Å; I137-A142 HydrophobicContact CG1-CB 4.35Å; I137-A142 HydrophobicContact CG2-CB 4.39Å; I137-A142 PolarHBondContact O-N 3.3Å; S140-A142 VanDerWaalsContact C-N 3.29Å; S140-A142 PolarHBondContact O-N 3.42Å; S140-A142 WeakPolarHBondContact OG-CB 3.44Å; A142-S144 VanDerWaalsContact C-N 3.34Å; A142-S144 PolarHBondContact O-N 3.18Å; A142-I145 HydrophobicContact CB-CB 4.25Å; A142-I145 HydrophobicContact CB-CD1 4.05Å; A142-I145 HydrophobicContact CB-CG1 4.37Å; A142-I145 PolarHBondContact O-N 3.22Å; A142-L146 PolarHBondContact O-N 3.35Å; A142-L146 VanDerWaalsContact O-N 3.1Å
143	L	95.3	Very high	92.6	Very high	27 Å²	27	33.8 Å²	33.8	14%	0.141	16%	0.158	C	C	.	.	H	α-helix	trans	-58	-38.9	-175.4	-63.1	180	0	0	0	114.2	N141 I145 L146 K147 L179 L180 I183	N141-L143 VanDerWaalsContact C-N 3.3Å; N141-L143 PolarHBondContact O-N 3.44Å; L143-I145 VanDerWaalsContact C-N 3.35Å; L143-I145 PolarHBondContact O-N 3.45Å; L143-L146 PolarHBondContact O-N 2.98Å; L143-K147 WeakPolarHBondContact O-CG 3.35Å; L143-K147 PolarHBondContact O-N 3.02Å; L143-L179 HydrophobicContact CD1-CD2 3.65Å; L143-L179 HydrophobicContact CD1-CG 4.26Å; L143-L180 HydrophobicContact CD2-CB 4.03Å; L143-L180 HydrophobicContact CD2-CD1 3.89Å; L143-L180 HydrophobicContact CD2-CG 4.44Å; L143-I183 HydrophobicContact CD2-CD1 3.71Å
144	S	94.4	Very high	91.2	Very high	42 Å²	42	43.1 Å²	43.1	29%	0.294	20%	0.201	S	C	.	.	H	α-helix	trans	-64.9	-39.9	-179.3	62.8	0	0	0	0	112.2	K110 A142 K147 Y148	K110-S144 WeakPolarHBondContact CB-OG 3.35Å; A142-S144 VanDerWaalsContact C-N 3.34Å; A142-S144 PolarHBondContact O-N 3.18Å; S144-K147 WeakPolarHBondContact O-CB 3.34Å; S144-K147 PolarHBondContact O-N 3.35Å; S144-Y148 PolarHBondContact O-N 2.95Å
145	I	94.9	Very high	90.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-69.3	-41.2	177.2	-61.4	177.3	0	0	0	110	V105 K110 A113 I137 A142 L143 Y148 L149	V105-I145 HydrophobicContact CB-CD1 4.49Å; V105-I145 HydrophobicContact CG2-CD1 4.18Å; V105-I145 HydrophobicContact CG2-CG2 4.1Å; K110-I145 HydrophobicContact CB-CG1 4.33Å; A113-I145 HydrophobicContact CB-CD1 3.58Å; A113-I145 HydrophobicContact CB-CG1 4.03Å; A113-I145 HydrophobicContact CB-CG2 4.35Å; I137-I145 HydrophobicContact CD1-CG2 4.28Å; A142-I145 HydrophobicContact CB-CB 4.25Å; A142-I145 HydrophobicContact CB-CD1 4.05Å; A142-I145 HydrophobicContact CB-CG1 4.37Å; A142-I145 PolarHBondContact O-N 3.22Å; L143-I145 VanDerWaalsContact C-N 3.35Å; L143-I145 PolarHBondContact O-N 3.45Å; I145-Y148 PolarHBondContact O-N 3.4Å; I145-L149 HydrophobicContact CG2-CD1 4.22Å; I145-L149 HydrophobicContact CG2-CG 4.47Å; I145-L149 WeakPolarHBondContact O-CG 2.85Å; I145-L149 PolarHBondContact O-N 3.1Å
146	L	94.7	Very high	89.7	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-60.3	-45.9	174.4	-176	59.3	0	0	0	112	L134 I137 A142 L143 Y148 L149 H150 L156 L180 I183	L134-L146 HydrophobicContact CD2-CD1 3.55Å; I137-L146 HydrophobicContact CD1-CB 4.34Å; I137-L146 HydrophobicContact CD1-CD1 4.29Å; I137-L146 HydrophobicContact CG2-CB 4Å; I137-L146 HydrophobicContact CG2-CD2 4.4Å; A142-L146 PolarHBondContact O-N 3.35Å; A142-L146 VanDerWaalsContact O-N 3.1Å; L143-L146 PolarHBondContact O-N 2.98Å; L146-Y148 VanDerWaalsContact C-N 3.29Å; L146-Y148 PolarHBondContact O-N 2.85Å; L146-L149 PolarHBondContact O-N 3.24Å; L146-H150 WeakPolarHBondContact O-CB 3.45Å; L146-H150 PolarHBondContact O-N 3.44Å; L146-L156 HydrophobicContact CD1-CD1 4.38Å; L146-L180 HydrophobicContact CD2-CD1 3.47Å; L146-L180 VanDerWaalsContact CD2-CD1 3.47Å; L146-I183 HydrophobicContact CD2-CG2 3.94Å
147	K	92.3	Very high	89.4	Confident	43 Å²	43	55.7 Å²	55.7	19%	0.187	27%	0.269	C	S	.	.	H	α-helix	trans	-55.6	-45	173.9	-78.4	176.6	175.2	-171.5	0	111.4	L143 S144 H150 R151 F537	L143-K147 WeakPolarHBondContact O-CG 3.35Å; L143-K147 PolarHBondContact O-N 3.02Å; S144-K147 WeakPolarHBondContact O-CB 3.34Å; S144-K147 PolarHBondContact O-N 3.35Å; K147-H150 PolarHBondContact O-N 2.92Å; K147-R151 PolarHBondContact O-N 3.22Å; K147-F537 HydrophobicContact CB-CE2 4.4Å; K147-F537 HydrophobicContact CB-CZ 4.27Å; K147-F537 HydrophobicContact CD-CD1 3.96Å; K147-F537 HydrophobicContact CD-CE1 4.14Å; K147-F537 HydrophobicContact CD-CG 4.32Å; K147-F537 HydrophobicContact CG-CD1 3.51Å; K147-F537 HydrophobicContact CG-CD2 3.99Å; K147-F537 HydrophobicContact CG-CE1 3.29Å; K147-F537 HydrophobicContact CG-CE2 3.81Å; K147-F537 HydrophobicContact CG-CG 3.83Å; K147-F537 HydrophobicContact CG-CZ 3.45Å; K147-F537 VanDerWaalsContact CG-CZ 3.45Å
148	Y	92.6	Very high	89.2	Confident	34 Å²	34	57.2 Å²	57.2	13%	0.133	28%	0.275	C	S	.	.	H	α-helix	trans	-65.7	-46.8	179.3	-179.7	-86.5	0	0	0	112.4	H114 L117 N118 S144 I145 L146 H150 R151 K152	H114-Y148 HydrophobicContact CB-CD2 4.45Å; H114-Y148 HydrophobicContact CB-CE2 4.22Å; H114-Y148 AromaticContact CD2-CD1 3.62Å; H114-Y148 AromaticContact CD2-CD2 3.53Å; H114-Y148 AromaticContact CD2-CG 3.24Å; H114-Y148 AromaticContact CG-CD2 3.81Å; H114-Y148 AromaticContact CG-CG 4Å; H114-Y148 WeakPolarHBondContact NE2-CB 3.2Å; H114-Y148 AromaticContact NE2-CD2 3.75Å; H114-Y148 AromaticContact NE2-CG 3.49Å; L117-Y148 HydrophobicContact CB-CE1 3.88Å; L117-Y148 HydrophobicContact CD1-CD1 3.63Å; L117-Y148 HydrophobicContact CD1-CE1 3.65Å; L117-Y148 HydrophobicContact CG-CE1 4.41Å; N118-Y148 PolarHBondContact ND2-OH 2.95Å; N118-Y148 PolarHBondContact OD1-OH 3.29Å; S144-Y148 PolarHBondContact O-N 2.95Å; I145-Y148 PolarHBondContact O-N 3.4Å; L146-Y148 VanDerWaalsContact C-N 3.29Å; L146-Y148 PolarHBondContact O-N 2.85Å; Y148-H150 VanDerWaalsContact C-N 3.26Å; Y148-H150 PolarHBondContact O-N 3.4Å; Y148-R151 PolarHBondContact O-N 3.5Å; Y148-K152 HydrophobicContact CD1-CG 4.4Å; Y148-K152 HydrophobicContact CE1-CG 3.87Å; Y148-K152 PolarHBondContact O-N 2.86Å; Y148-K152 WeakPolarHBondContact OH-CE 3.34Å
149	L	92.1	Very high	89.1	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-58.5	-40.7	176.1	-74.6	171.1	0	0	0	111.4	L117 H123 I133 I137 I145 L146 R151 K152 S153 L156	L117-L149 HydrophobicContact CD1-CD2 3.63Å; L117-L149 HydrophobicContact CD1-CG 4.22Å; L117-L149 HydrophobicContact CD2-CD2 3.75Å; L117-L149 HydrophobicContact CG-CD2 4.37Å; H123-L149 HydrophobicContact CB-CD2 3.96Å; I133-L149 HydrophobicContact CD1-CD1 3.75Å; I133-L149 HydrophobicContact CD1-CD2 4.38Å; I133-L149 HydrophobicContact CG1-CD1 4.23Å; I133-L149 HydrophobicContact CG2-CD1 4.27Å; I137-L149 HydrophobicContact CD1-CD1 3.6Å; I145-L149 HydrophobicContact CG2-CD1 4.22Å; I145-L149 HydrophobicContact CG2-CG 4.47Å; I145-L149 WeakPolarHBondContact O-CG 2.85Å; I145-L149 PolarHBondContact O-N 3.1Å; L146-L149 PolarHBondContact O-N 3.24Å; L149-R151 VanDerWaalsContact C-N 3.34Å; L149-R151 PolarHBondContact O-N 3.01Å; L149-K152 PolarHBondContact O-N 2.96Å; L149-K152 VanDerWaalsContact O-N 3.17Å; L149-S153 WeakPolarHBondContact O-CB 3.39Å; L149-S153 PolarHBondContact O-N 3.27Å; L149-L156 HydrophobicContact CB-CD1 4.25Å
150	H	87.9	Confident	89.1	Confident	38 Å²	38	60.1 Å²	60.1	18%	0.176	29%	0.293	C	S	.	.	H	α-helix	trans	-63.3	-37.4	178.3	-173.7	57.4	0	0	0	113.3	L146 K147 Y148 K152 R187 F533 F537	L146-H150 WeakPolarHBondContact O-CB 3.45Å; L146-H150 PolarHBondContact O-N 3.44Å; K147-H150 PolarHBondContact O-N 2.92Å; Y148-H150 VanDerWaalsContact C-N 3.26Å; Y148-H150 PolarHBondContact O-N 3.4Å; H150-K152 VanDerWaalsContact C-N 3.28Å; H150-K152 PolarHBondContact O-N 2.9Å; H150-R187 PolarHBondContact CD2-NH2 3.31Å; H150-R187 PolarHBondContact CE1-NH1 3.35Å; H150-R187 PolarHBondContact CE1-NH2 3.32Å; H150-R187 PolarHBondContact ND1-NH2 3Å; H150-R187 PolarHBondContact NE2-NH2 3.05Å; H150-F533 AromaticContact NE2-CZ 3.65Å; H150-F537 HydrophobicContact CB-CE2 4.31Å
151	R	87.7	Confident	89.1	Confident	200 Å²	200	61.8 Å²	61.8	76%	0.755	31%	0.305	S	S	*	.	H	α-helix	trans	-69.5	-25.8	176.2	-72.4	178.2	176.9	150.8	-1.7	113.2	K147 Y148 L149	K147-R151 PolarHBondContact O-N 3.22Å; Y148-R151 PolarHBondContact O-N 3.5Å; L149-R151 VanDerWaalsContact C-N 3.34Å; L149-R151 PolarHBondContact O-N 3.01Å
152	K	83.4	Confident	89.1	Confident	142 Å²	142	59.4 Å²	59.4	62%	0.617	29%	0.292	S	S	*	.	H	α-helix	trans	-100.1	-27.8	-173.7	-74.8	-76.6	-176	168.7	0	113.7	Y148 L149 H150	Y148-K152 HydrophobicContact CD1-CG 4.4Å; Y148-K152 HydrophobicContact CE1-CG 3.87Å; Y148-K152 PolarHBondContact O-N 2.86Å; Y148-K152 WeakPolarHBondContact OH-CE 3.34Å; L149-K152 PolarHBondContact O-N 2.96Å; L149-K152 VanDerWaalsContact O-N 3.17Å; H150-K152 VanDerWaalsContact C-N 3.28Å; H150-K152 PolarHBondContact O-N 2.9Å
153	S	71.9	Confident	89.1	Confident	17 Å²	17	64.6 Å²	64.6	12%	0.119	32%	0.32	C	S	.	.			trans	-131.5	127.8	-172.2	-171.9	0	0	0	0	110.9	H123 L149	H123-S153 PolarHBondContact NE2-OG 3.17Å; L149-S153 WeakPolarHBondContact O-CB 3.39Å; L149-S153 PolarHBondContact O-N 3.27Å
154	Q	65.7	Low	89.1	Confident	200 Å²	200	67.2 Å²	67.2	94%	0.935	33%	0.334	S	S	*	.	S	Bend	trans	-85.9	-12.6	176.7	-74.2	168.5	-7.5	0	0	112.8
155	T	75.4	Confident	89.2	Confident	117 Å²	117	65.9 Å²	65.9	72%	0.718	33%	0.327	S	S	*	.			trans	-122.8	77.6	-170.8	51.3	0	0	0	0	111.6
156	L	85.5	Confident	89.3	Confident	23 Å²	23	66.9 Å²	66.9	12%	0.12	33%	0.332	C	S	.	.			trans	-98.2	127.6	167.7	-71.5	172.3	0	0	0	109.6	L134 L146 L149 Y158	L134-L156 HydrophobicContact CD1-CB 4.4Å; L146-L156 HydrophobicContact CD1-CD1 4.38Å; L149-L156 HydrophobicContact CB-CD1 4.25Å; L156-Y158 HydrophobicContact CB-CD2 4.46Å; L156-Y158 HydrophobicContact CB-CE1 4.43Å; L156-Y158 HydrophobicContact CB-CE2 3.83Å; L156-Y158 WeakPolarHBondContact O-CD2 3.38Å; L156-Y158 WeakPolarHBondContact O-CE2 2.92Å; L156-Y158 PolarHBondContact O-N 3.18Å
157	E	89.5	Confident	89.4	Confident	145 Å²	145	67 Å²	67	68%	0.678	33%	0.333	S	S	*	.			trans	-85.4	103	174.1	-64.9	-179	-174.5	0	0	110	L134 T160	L134-E157 WeakPolarHBondContact CD1-O 3.46Å; E157-T160 WeakPolarHBondContact CB-OG1 3.48Å; E157-T160 PolarHBondContact OE2-OG1 3.43Å
158	Y	91.6	Very high	89.7	Confident	32 Å²	32	65 Å²	65	13%	0.125	32%	0.324	C	S	.	.	S	Bend	trans	-81.1	-18.4	-175	-65.8	-84.7	0	0	0	114.5	L134 L156 P168 L184 R187	L134-Y158 HydrophobicContact CD1-CD1 3.58Å; L134-Y158 HydrophobicContact CD1-CE1 4.01Å; L134-Y158 HydrophobicContact CD1-CG 4.1Å; L134-Y158 HydrophobicContact CD2-CD1 4.48Å; L134-Y158 HydrophobicContact CD2-CE1 4.34Å; L156-Y158 HydrophobicContact CB-CD2 4.46Å; L156-Y158 HydrophobicContact CB-CE1 4.43Å; L156-Y158 HydrophobicContact CB-CE2 3.83Å; L156-Y158 WeakPolarHBondContact O-CD2 3.38Å; L156-Y158 WeakPolarHBondContact O-CE2 2.92Å; L156-Y158 PolarHBondContact O-N 3.18Å; Y158-P168 WeakPolarHBondContact O-CD 3.43Å; Y158-P168 WeakPolarHBondContact O-CG 3.24Å; Y158-L184 HydrophobicContact CD1-CD2 3.59Å; Y158-L184 HydrophobicContact CE1-CD2 4.04Å; Y158-R187 HydrophobicContact CD1-CB 4.4Å; Y158-R187 HydrophobicContact CD2-CB 4.2Å; Y158-R187 HydrophobicContact CE1-CB 4.12Å; Y158-R187 HydrophobicContact CE1-CG 4.07Å; Y158-R187 HydrophobicContact CE2-CB 3.93Å; Y158-R187 HydrophobicContact CE2-CG 4.26Å; Y158-R187 HydrophobicContact CG-CB 4.43Å
159	D	94.5	Very high	89.9	Confident	74 Å²	74	63.4 Å²	63.4	40%	0.396	32%	0.318	S	S	.	.	S	Bend	trans	-109.4	2.5	-168.7	-64.5	-24.7	0	0	0	114	S161 C189 N190	D159-S161 PolarHBondContact O-N 3.15Å; D159-C189 WeakPolarHBondContact OD1-CA 3.3Å; D159-C189 WeakPolarHBondContact OD1-CB 3.36Å; D159-N190 HydrophobicContact CB-CB 4.43Å; D159-N190 VanDerWaalsContact CG-N 3.35Å; D159-N190 PolarHBondContact OD1-N 3.44Å; D159-N190 PolarHBondContact OD2-N 2.94Å
160	T	94.5	Very high	90.2	Very high	37 Å²	37	63.3 Å²	63.3	23%	0.227	32%	0.317	C	S	.	.			trans	-59.9	128.8	173.9	-40.1	0	0	0	0	108.9	T132 H135 E157 P168	T132-T160 HydrophobicContact CG2-CG2 3.72Å; H135-T160 PolarHBondContact CE1-O 2.93Å; H135-T160 PolarHBondContact NE2-O 3.39Å; E157-T160 WeakPolarHBondContact CB-OG1 3.48Å; E157-T160 PolarHBondContact OE2-OG1 3.43Å; T160-P168 VanDerWaalsContact O-CD 3.24Å; T160-P168 WeakPolarHBondContact O-CD 3.47Å
161	S	95.8	Very high	90.7	Very high	62 Å²	62	61.8 Å²	61.8	43%	0.434	31%	0.31	S	S	.	.			trans	-100.5	150.9	176.9	52.5	0	0	0	0	112.3	D159 M166	D159-S161 PolarHBondContact O-N 3.15Å; S161-M166 WeakPolarHBondContact CA-O 3.5Å
162	D	95.4	Very high	91.1	Very high	9 Å²	9	52.3 Å²	52.3	5%	0.048	27%	0.274	C	S	.	.			trans	-73.6	-179.5	169.6	85.5	-15.5	0	0	0	112	F131 H135 N164 G165 M166	F131-D162 HydrophobicContact CD2-CB 4.13Å; F131-D162 HydrophobicContact CE2-CB 4.03Å; H135-D162 PolarHBondContact NE2-N 3.24Å; D162-N164 PolarHBondContact O-N 3.24Å; D162-N164 VanDerWaalsContact O-N 3.1Å; D162-N164 VanDerWaalsContact OD1-C 3.29Å; D162-N164 VanDerWaalsContact OD1-CA 3.26Å; D162-N164 WeakPolarHBondContact OD1-CA 3.26Å; D162-N164 WeakPolarHBondContact OD1-CB 3.35Å; D162-N164 PolarHBondContact OD1-N 3.43Å; D162-N164 PolarHBondContact OD2-ND2 3.1Å; D162-G165 PolarHBondContact O-N 2.99Å; D162-G165 PolarHBondContact OD1-N 3.32Å; D162-M166 PolarHBondContact N-O 2.99Å; D162-M166 WeakPolarHBondContact OD1-CB 3.22Å; D162-M166 PolarHBondContact OD1-N 2.86Å
163	N	96	Very high	91.8	Very high	110 Å²	110	45.5 Å²	45.5	59%	0.588	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.6	178.6	-69.9	-7	0	0	0	114.2	K128 Q129	K128-N163 PolarHBondContact O-ND2 2.82Å; Q129-N163 WeakPolarHBondContact CA-ND2 3.39Å; Q129-N163 WeakPolarHBondContact O-CB 3.37Å; Q129-N163 PolarHBondContact O-N 3.36Å; Q129-N163 PolarHBondContact O-OD1 3.44Å
164	N	95.6	Very high	93.1	Very high	81 Å²	81	45.6 Å²	45.6	43%	0.433	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	4.5	174.9	-54.4	-55.3	0	0	0	112.2	D162 M166 T196	D162-N164 PolarHBondContact O-N 3.24Å; D162-N164 VanDerWaalsContact O-N 3.1Å; D162-N164 VanDerWaalsContact OD1-C 3.29Å; D162-N164 VanDerWaalsContact OD1-CA 3.26Å; D162-N164 WeakPolarHBondContact OD1-CA 3.26Å; D162-N164 WeakPolarHBondContact OD1-CB 3.35Å; D162-N164 PolarHBondContact OD1-N 3.43Å; D162-N164 PolarHBondContact OD2-ND2 3.1Å; N164-M166 VanDerWaalsContact C-N 3.27Å; N164-M166 HydrophobicContact CB-CG 4.31Å; N164-T196 VanDerWaalsContact C-CG2 3.4Å; N164-T196 WeakPolarHBondContact O-CB 3.34Å; N164-T196 WeakPolarHBondContact O-CG2 3.35Å; N164-T196 PolarHBondContact O-N 2.91Å; N164-T196 PolarHBondContact O-OG1 2.9Å
165	G	96	Very high	94.6	Very high	14 Å²	14	40 Å²	40	14%	0.144	22%	0.218	C	C	.	.	S	Bend	trans	78.4	7.3	-175.6	0	0	0	0	0	113.9	D162 T167	D162-G165 PolarHBondContact O-N 2.99Å; D162-G165 PolarHBondContact OD1-N 3.32Å; G165-T167 PolarHBondContact O-N 3.09Å
166	M	97.8	Very high	95.6	Very high	22 Å²	22	35.4 Å²	35.4	11%	0.108	19%	0.194	C	C	.	.			trans	-73.7	119.5	177.9	-66.1	-68.1	-68.5	0	0	109.4	H135 S161 D162 N164 L170 I171 D195 F204	H135-M166 PolarHBondContact NE2-O 3.12Å; S161-M166 WeakPolarHBondContact CA-O 3.5Å; D162-M166 PolarHBondContact N-O 2.99Å; D162-M166 WeakPolarHBondContact OD1-CB 3.22Å; D162-M166 PolarHBondContact OD1-N 2.86Å; N164-M166 VanDerWaalsContact C-N 3.27Å; N164-M166 HydrophobicContact CB-CG 4.31Å; M166-L170 HydrophobicContact CE-CB 3.79Å; M166-L170 HydrophobicContact SD-CB 4.15Å; M166-L170 HydrophobicContact SD-CD1 4.48Å; M166-I171 HydrophobicContact CB-CD1 4.44Å; M166-I171 HydrophobicContact CB-CG1 4.15Å; M166-I171 HydrophobicContact CE-CG1 3.88Å; M166-D195 HydrophobicContact CG-CB 4.49Å; M166-D195 HydrophobicContact SD-CB 3.77Å; M166-F204 HydrophobicContact CE-CE1 4.12Å; M166-F204 HydrophobicContact CE-CE2 4.19Å; M166-F204 HydrophobicContact CE-CZ 3.83Å; M166-F204 HydrophobicContact SD-CE1 4.18Å; M166-F204 HydrophobicContact SD-CE2 3.92Å; M166-F204 HydrophobicContact SD-CZ 3.43Å; M166-F204 WeakPolarHBondContact SD-CZ 3.34Å
167	T	97.4	Very high	96.1	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.037	19%	0.194	C	C	.	.			trans	-85.9	162.3	167.7	63.6	0	0	0	0	110.3	G165 F169 L170 I171 A193	G165-T167 PolarHBondContact O-N 3.09Å; T167-F169 PolarHBondContact O-N 2.78Å; T167-L170 PolarHBondContact O-N 3.23Å; T167-L170 WeakPolarHBondContact OG1-CG 3.38Å; T167-L170 PolarHBondContact OG1-N 2.92Å; T167-I171 PolarHBondContact O-N 2.68Å; T167-A193 HydrophobicContact CG2-CB 3.61Å
168	P	97	Very high	96.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-50.7	-38.7	171.9	-29.9	35.3	0	0	0	113.2	L134 C138 Y158 T160 I171 A172	L134-P168 HydrophobicContact CB-CB 3.99Å; L134-P168 HydrophobicContact CB-CG 3.72Å; C138-P168 WeakPolarHBondContact CB-O 3.03Å; C138-P168 PolarHBondContact SG-O 2.84Å; Y158-P168 WeakPolarHBondContact O-CD 3.43Å; Y158-P168 WeakPolarHBondContact O-CG 3.24Å; T160-P168 VanDerWaalsContact O-CD 3.24Å; T160-P168 WeakPolarHBondContact O-CD 3.47Å; P168-I171 PolarHBondContact O-N 2.89Å; P168-A172 PolarHBondContact O-N 3.37Å
169	F	97.6	Very high	96.5	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-63.5	-43.3	176.6	-173.5	-104.1	0	0	0	112.7	T167 I171 A172 A173 M181 L184 V185 I191 A201 L217	T167-F169 PolarHBondContact O-N 2.78Å; F169-I171 VanDerWaalsContact C-N 3.34Å; F169-I171 PolarHBondContact O-N 3.28Å; F169-A172 PolarHBondContact O-N 3.2Å; F169-A173 WeakPolarHBondContact O-CB 3.47Å; F169-A173 PolarHBondContact O-N 3.04Å; F169-M181 HydrophobicContact CE2-CB 3.92Å; F169-M181 HydrophobicContact CE2-CE 4.28Å; F169-M181 HydrophobicContact CE2-CG 4.27Å; F169-M181 HydrophobicContact CZ-CE 4.02Å; F169-L184 HydrophobicContact CB-CD1 4.34Å; F169-L184 HydrophobicContact CD2-CB 4.12Å; F169-L184 HydrophobicContact CD2-CD1 4.19Å; F169-V185 HydrophobicContact CE2-CG2 3.67Å; F169-V185 HydrophobicContact CZ-CG2 4.18Å; F169-I191 HydrophobicContact CD1-CB 4.33Å; F169-I191 HydrophobicContact CD1-CG2 4.39Å; F169-I191 HydrophobicContact CD2-CG2 4.41Å; F169-I191 HydrophobicContact CE1-CB 3.82Å; F169-I191 HydrophobicContact CE1-CG2 3.95Å; F169-I191 HydrophobicContact CE2-CG2 3.99Å; F169-I191 HydrophobicContact CZ-CB 4.04Å; F169-I191 HydrophobicContact CZ-CG2 3.74Å; F169-A201 HydrophobicContact CD1-CB 4.25Å; F169-A201 HydrophobicContact CE1-CB 3.69Å; F169-L217 HydrophobicContact CE1-CD2 4.24Å; F169-L217 HydrophobicContact CZ-CD2 3.81Å
170	L	98	Very high	96.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.1	-36	176	-67.4	177.2	0	0	0	112.1	M166 T167 A173 S174 A193 A201 F204	M166-L170 HydrophobicContact CE-CB 3.79Å; M166-L170 HydrophobicContact SD-CB 4.15Å; M166-L170 HydrophobicContact SD-CD1 4.48Å; T167-L170 PolarHBondContact O-N 3.23Å; T167-L170 WeakPolarHBondContact OG1-CG 3.38Å; T167-L170 PolarHBondContact OG1-N 2.92Å; L170-A173 PolarHBondContact O-N 3.37Å; L170-S174 WeakPolarHBondContact O-CB 3.28Å; L170-S174 PolarHBondContact O-N 2.98Å; L170-A193 HydrophobicContact CD1-CB 4.31Å; L170-A201 HydrophobicContact CD2-CB 4.15Å; L170-F204 HydrophobicContact CB-CE2 4.38Å; L170-F204 HydrophobicContact CD2-CD2 4.15Å; L170-F204 HydrophobicContact CD2-CE2 4.2Å
171	I	97.6	Very high	96.7	Very high	6 Å²	6	27 Å²	27	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-64.4	-48.1	173.9	-66.6	179.5	0	0	0	110.4	F131 H135 C138 E139 M166 T167 P168 F169 A173 S174 K175	F131-I171 HydrophobicContact CE1-CD1 4.07Å; H135-I171 HydrophobicContact CB-CD1 3.75Å; H135-I171 WeakPolarHBondContact CD2-CD1 3.48Å; C138-I171 HydrophobicContact CB-CB 4.03Å; C138-I171 HydrophobicContact CB-CG2 3.83Å; E139-I171 HydrophobicContact CB-CG2 4.11Å; E139-I171 WeakPolarHBondContact OE2-CG2 3.23Å; M166-I171 HydrophobicContact CB-CD1 4.44Å; M166-I171 HydrophobicContact CB-CG1 4.15Å; M166-I171 HydrophobicContact CE-CG1 3.88Å; T167-I171 PolarHBondContact O-N 2.68Å; P168-I171 PolarHBondContact O-N 2.89Å; F169-I171 VanDerWaalsContact C-N 3.34Å; F169-I171 PolarHBondContact O-N 3.28Å; I171-A173 VanDerWaalsContact C-N 3.27Å; I171-A173 PolarHBondContact O-N 2.77Å; I171-S174 WeakPolarHBondContact O-CB 3.45Å; I171-S174 PolarHBondContact O-N 3.17Å; I171-S174 PolarHBondContact O-OG 2.96Å; I171-K175 WeakPolarHBondContact O-CG 3.4Å; I171-K175 PolarHBondContact O-N 2.81Å
172	A	97.8	Very high	96.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.4	-42	177.3	0	0	0	0	0	111.5	C138 P168 F169 K175 G176 N177 L180 M181 L184	C138-A172 HydrophobicContact CB-CB 4.09Å; P168-A172 PolarHBondContact O-N 3.37Å; F169-A172 PolarHBondContact O-N 3.2Å; A172-K175 PolarHBondContact O-N 2.8Å; A172-G176 PolarHBondContact O-N 2.79Å; A172-N177 HydrophobicContact CB-CB 4.43Å; A172-N177 PolarHBondContact O-N 3.43Å; A172-L180 HydrophobicContact CB-CD2 4.37Å; A172-L180 HydrophobicContact CB-CG 4.38Å; A172-M181 HydrophobicContact CB-CG 3.69Å; A172-L184 HydrophobicContact CB-CD1 4.2Å
173	A	97.9	Very high	96.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.6	-43.8	173.3	0	0	0	0	0	112.5	F169 L170 I171 K175 G176 M181 A201 V205 H210	F169-A173 WeakPolarHBondContact O-CB 3.47Å; F169-A173 PolarHBondContact O-N 3.04Å; L170-A173 PolarHBondContact O-N 3.37Å; I171-A173 VanDerWaalsContact C-N 3.27Å; I171-A173 PolarHBondContact O-N 2.77Å; A173-K175 PolarHBondContact O-N 2.79Å; A173-G176 PolarHBondContact O-N 3.36Å; A173-G176 VanDerWaalsContact O-N 3.16Å; A173-M181 HydrophobicContact CB-CE 3.86Å; A173-M181 HydrophobicContact CB-SD 4.13Å; A173-A201 HydrophobicContact CB-CB 3.86Å; A173-V205 HydrophobicContact CB-CG1 4.06Å; A173-V205 WeakPolarHBondContact O-CG1 3.35Å; A173-H210 PolarHBondContact O-CD2 2.92Å
174	S	97.7	Very high	96.4	Very high	18 Å²	18	19.4 Å²	19.4	13%	0.126	11%	0.106	C	C	.	.	H	α-helix	trans	-63	-28.3	177.5	82	0	0	0	0	113.5	L170 I171 N208 H210	L170-S174 WeakPolarHBondContact O-CB 3.28Å; L170-S174 PolarHBondContact O-N 2.98Å; I171-S174 WeakPolarHBondContact O-CB 3.45Å; I171-S174 PolarHBondContact O-N 3.17Å; I171-S174 PolarHBondContact O-OG 2.96Å; S174-N208 PolarHBondContact O-ND2 2.97Å; S174-H210 PolarHBondContact O-CD2 2.94Å; S174-H210 PolarHBondContact O-NE2 3.03Å
175	K	97.4	Very high	96.3	Very high	83 Å²	83	17.2 Å²	17.2	36%	0.361	10%	0.096	S	C	.	.	H	α-helix	trans	-93.3	-7.2	177.1	-63	-54.1	-175.2	173	0	114.4	E139 I171 A172 A173 N177 H210	E139-K175 WeakPolarHBondContact OE1-CE 3.5Å; E139-K175 IonicContact OE1-NZ 2.67Å; E139-K175 PolarHBondContact OE1-NZ 3.1Å; E139-K175 WeakPolarHBondContact OE2-CE 3.39Å; E139-K175 IonicContact OE2-NZ 3.46Å; I171-K175 WeakPolarHBondContact O-CG 3.4Å; I171-K175 PolarHBondContact O-N 2.81Å; A172-K175 PolarHBondContact O-N 2.8Å; A173-K175 PolarHBondContact O-N 2.79Å; K175-N177 VanDerWaalsContact C-N 3.28Å; K175-N177 WeakPolarHBondContact CB-ND2 3.39Å; K175-H210 VanDerWaalsContact C-NE2 3.29Å
176	G	96.3	Very high	96.1	Very high	20 Å²	20	21.2 Å²	21.2	21%	0.206	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	21.9	-178.8	0	0	0	0	0	113.5	A172 A173 E178 H210	A172-G176 PolarHBondContact O-N 2.79Å; A173-G176 PolarHBondContact O-N 3.36Å; A173-G176 VanDerWaalsContact O-N 3.16Å; G176-E178 PolarHBondContact O-N 3.39Å; G176-H210 VanDerWaalsContact CA-CD2 3.43Å; G176-H210 WeakPolarHBondContact CA-CD2 3.16Å; G176-H210 PolarHBondContact N-CD2 3.4Å; G176-H210 PolarHBondContact N-NE2 3.31Å
177	N	96.1	Very high	95.7	Very high	23 Å²	23	22.5 Å²	22.5	12%	0.123	11%	0.11	C	C	.	.			trans	-78.9	69.7	-177.3	-68.4	-31.1	0	0	0	111	C138 N141 A172 K175 L179 L180 M181	C138-N177 PolarHBondContact O-ND2 2.83Å; N141-N177 WeakPolarHBondContact CB-OD1 3.33Å; N141-N177 PolarHBondContact ND2-OD1 3.33Å; A172-N177 HydrophobicContact CB-CB 4.43Å; A172-N177 PolarHBondContact O-N 3.43Å; K175-N177 VanDerWaalsContact C-N 3.28Å; K175-N177 WeakPolarHBondContact CB-ND2 3.39Å; N177-L179 PolarHBondContact O-N 3.03Å; N177-L180 HydrophobicContact CB-CB 3.94Å; N177-L180 HydrophobicContact CB-CD2 4.38Å; N177-L180 WeakPolarHBondContact O-CB 3.26Å; N177-L180 PolarHBondContact O-N 3.01Å; N177-L180 VanDerWaalsContact O-N 3.07Å; N177-M181 WeakPolarHBondContact O-CG 3.42Å; N177-M181 PolarHBondContact O-N 3.04Å
178	E	96.1	Very high	95.3	Very high	71 Å²	71	29.3 Å²	29.3	33%	0.332	15%	0.146	S	C	.	.	H	α-helix	trans	-51.3	-53.1	-174.1	-176.3	-128.8	157.5	0	0	113.2	G176 L180 M181 E182 D212 A213 Y216	G176-E178 PolarHBondContact O-N 3.39Å; E178-L180 VanDerWaalsContact C-N 3.25Å; E178-L180 PolarHBondContact O-N 3.17Å; E178-M181 WeakPolarHBondContact O-CA 3.49Å; E178-M181 WeakPolarHBondContact O-CB 3.43Å; E178-M181 PolarHBondContact O-N 2.94Å; E178-E182 PolarHBondContact O-N 2.81Å; E178-D212 HydrophobicContact CB-CB 4.48Å; E178-A213 HydrophobicContact CB-CB 4.38Å; E178-Y216 HydrophobicContact CG-CG 4.21Å
179	L	94.6	Very high	95	Very high	42 Å²	42	29.8 Å²	29.8	22%	0.22	15%	0.149	C	C	.	.	H	α-helix	trans	-59.9	-37.4	179.5	179.7	58.9	0	0	0	112.3	L143 N177 E182 I183 L540 L542	L143-L179 HydrophobicContact CD1-CD2 3.65Å; L143-L179 HydrophobicContact CD1-CG 4.26Å; N177-L179 PolarHBondContact O-N 3.03Å; L179-E182 PolarHBondContact O-N 3.09Å; L179-I183 HydrophobicContact CG-CD1 4.2Å; L179-I183 WeakPolarHBondContact O-CD1 3.35Å; L179-I183 VanDerWaalsContact O-CG1 3.3Å; L179-I183 WeakPolarHBondContact O-CG1 3.47Å; L179-I183 PolarHBondContact O-N 3.03Å; L179-L540 HydrophobicContact CD1-CD1 3.85Å; L179-L540 HydrophobicContact CD1-CD2 3.81Å; L179-L540 HydrophobicContact CD1-CG 4.48Å; L179-L542 HydrophobicContact CD2-CD2 4.16Å
180	L	95.6	Very high	94.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-69.3	-39	177	-178.8	55.8	0	0	0	111.2	I137 C138 L143 L146 A172 N177 E178 E182 I183 L184	I137-L180 HydrophobicContact CG2-CD1 4.5Å; I137-L180 HydrophobicContact CG2-CD2 4.41Å; C138-L180 HydrophobicContact CB-CD2 4.1Å; L143-L180 HydrophobicContact CD2-CB 4.03Å; L143-L180 HydrophobicContact CD2-CD1 3.89Å; L143-L180 HydrophobicContact CD2-CG 4.44Å; L146-L180 HydrophobicContact CD2-CD1 3.47Å; L146-L180 VanDerWaalsContact CD2-CD1 3.47Å; A172-L180 HydrophobicContact CB-CD2 4.37Å; A172-L180 HydrophobicContact CB-CG 4.38Å; N177-L180 HydrophobicContact CB-CB 3.94Å; N177-L180 HydrophobicContact CB-CD2 4.38Å; N177-L180 WeakPolarHBondContact O-CB 3.26Å; N177-L180 PolarHBondContact O-N 3.01Å; N177-L180 VanDerWaalsContact O-N 3.07Å; E178-L180 VanDerWaalsContact C-N 3.25Å; E178-L180 PolarHBondContact O-N 3.17Å; L180-E182 VanDerWaalsContact C-N 3.32Å; L180-E182 PolarHBondContact O-N 2.74Å; L180-I183 PolarHBondContact O-N 3.31Å; L180-L184 HydrophobicContact CD1-CG 4.43Å; L180-L184 HydrophobicContact CG-CD1 4.4Å; L180-L184 VanDerWaalsContact O-CG 3.28Å; L180-L184 WeakPolarHBondContact O-CG 3.24Å; L180-L184 PolarHBondContact O-N 3.32Å
181	M	96.2	Very high	94.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.8	-45.3	171.9	-63.8	167.4	65.7	0	0	110.6	F169 A172 A173 N177 E178 I183 L184 V185 A213 Y216 L217	F169-M181 HydrophobicContact CE2-CB 3.92Å; F169-M181 HydrophobicContact CE2-CE 4.28Å; F169-M181 HydrophobicContact CE2-CG 4.27Å; F169-M181 HydrophobicContact CZ-CE 4.02Å; A172-M181 HydrophobicContact CB-CG 3.69Å; A173-M181 HydrophobicContact CB-CE 3.86Å; A173-M181 HydrophobicContact CB-SD 4.13Å; N177-M181 WeakPolarHBondContact O-CG 3.42Å; N177-M181 PolarHBondContact O-N 3.04Å; E178-M181 WeakPolarHBondContact O-CA 3.49Å; E178-M181 WeakPolarHBondContact O-CB 3.43Å; E178-M181 PolarHBondContact O-N 2.94Å; M181-I183 VanDerWaalsContact C-N 3.32Å; M181-I183 PolarHBondContact O-N 2.72Å; M181-L184 PolarHBondContact O-N 3.5Å; M181-L184 VanDerWaalsContact O-N 3.13Å; M181-V185 WeakPolarHBondContact O-CG2 3.41Å; M181-V185 PolarHBondContact O-N 2.94Å; M181-A213 HydrophobicContact SD-CB 3.91Å; M181-Y216 HydrophobicContact CB-CD1 4.25Å; M181-Y216 HydrophobicContact CB-CE1 4.05Å; M181-Y216 HydrophobicContact CE-CD1 4.41Å; M181-L217 HydrophobicContact CE-CD1 3.82Å; M181-L217 HydrophobicContact CE-CD2 3.37Å; M181-L217 HydrophobicContact CE-CG 3.55Å
182	E	94.7	Very high	94.5	Very high	16 Å²	16	36.5 Å²	36.5	8%	0.075	19%	0.185	C	C	.	.	H	α-helix	trans	-59	-42.2	176.8	-163	-168.7	168.9	0	0	112.2	E178 L179 L180 R186 Y216 R433	E178-E182 PolarHBondContact O-N 2.81Å; L179-E182 PolarHBondContact O-N 3.09Å; L180-E182 VanDerWaalsContact C-N 3.32Å; L180-E182 PolarHBondContact O-N 2.74Å; E182-R186 VanDerWaalsContact CG-NH1 3.32Å; E182-R186 WeakPolarHBondContact O-CG 3.3Å; E182-R186 PolarHBondContact O-N 3.39Å; E182-R186 VanDerWaalsContact O-N 3.14Å; E182-R186 IonicContact OE1-CZ 3.55Å; E182-R186 IonicContact OE1-NH1 2.71Å; E182-R186 PolarHBondContact OE1-NH1 3.37Å; E182-R186 IonicContact OE1-NH2 3.75Å; E182-R186 PolarHBondContact OE1-NH2 3.13Å; E182-R186 IonicContact OE2-NH1 3.63Å; E182-Y216 WeakPolarHBondContact CA-OH 3.44Å; E182-Y216 HydrophobicContact CB-CE2 4.09Å; E182-Y216 HydrophobicContact CG-CE2 3.86Å; E182-R433 IonicContact OE1-NH2 3.41Å; E182-R433 PolarHBondContact OE1-NH2 3Å; E182-R433 IonicContact OE2-NH2 2.73Å
183	I	93.6	Very high	94.3	Very high	3 Å²	3	37 Å²	37	2%	0.015	19%	0.19	C	C	.	.	H	α-helix	trans	-63	-43.7	175.4	-68.3	159.3	0	0	0	111	L143 L146 L179 L180 M181 R186 R187 F537 L540	L143-I183 HydrophobicContact CD2-CD1 3.71Å; L146-I183 HydrophobicContact CD2-CG2 3.94Å; L179-I183 HydrophobicContact CG-CD1 4.2Å; L179-I183 WeakPolarHBondContact O-CD1 3.35Å; L179-I183 VanDerWaalsContact O-CG1 3.3Å; L179-I183 WeakPolarHBondContact O-CG1 3.47Å; L179-I183 PolarHBondContact O-N 3.03Å; L180-I183 PolarHBondContact O-N 3.31Å; M181-I183 VanDerWaalsContact C-N 3.32Å; M181-I183 PolarHBondContact O-N 2.72Å; I183-R186 PolarHBondContact O-N 2.93Å; I183-R187 WeakPolarHBondContact O-CG 3.31Å; I183-R187 PolarHBondContact O-N 3.35Å; I183-F537 HydrophobicContact CD1-CD1 4.5Å; I183-F537 HydrophobicContact CD1-CE1 3.84Å; I183-F537 HydrophobicContact CG1-CE1 4.25Å; I183-F537 HydrophobicContact CG2-CE1 4.21Å; I183-F537 HydrophobicContact CG2-CZ 4.17Å; I183-L540 HydrophobicContact CD1-CD1 4.41Å; I183-L540 HydrophobicContact CG1-CD1 4.2Å
184	L	93.9	Very high	94.3	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-65.1	-42.2	179.3	-69	172.7	0	0	0	111.9	Y158 F169 A172 L180 M181 R186 R187 C189	Y158-L184 HydrophobicContact CD1-CD2 3.59Å; Y158-L184 HydrophobicContact CE1-CD2 4.04Å; F169-L184 HydrophobicContact CB-CD1 4.34Å; F169-L184 HydrophobicContact CD2-CB 4.12Å; F169-L184 HydrophobicContact CD2-CD1 4.19Å; A172-L184 HydrophobicContact CB-CD1 4.2Å; L180-L184 HydrophobicContact CD1-CG 4.43Å; L180-L184 HydrophobicContact CG-CD1 4.4Å; L180-L184 VanDerWaalsContact O-CG 3.28Å; L180-L184 WeakPolarHBondContact O-CG 3.24Å; L180-L184 PolarHBondContact O-N 3.32Å; M181-L184 PolarHBondContact O-N 3.5Å; M181-L184 VanDerWaalsContact O-N 3.13Å; L184-R186 VanDerWaalsContact C-N 3.32Å; L184-R186 PolarHBondContact O-N 3.3Å; L184-R187 CarbonylContact O-C 3.36Å; L184-R187 WeakPolarHBondContact O-CA 3.37Å; L184-R187 WeakPolarHBondContact O-CB 3.49Å; L184-R187 PolarHBondContact O-N 3.13Å; L184-C189 HydrophobicContact CB-CB 4.5Å; L184-C189 PolarHBondContact O-N 3.48Å; L184-C189 PolarHBondContact O-SG 3.27Å
185	V	92.7	Very high	94.3	Very high	36 Å²	36	39.9 Å²	39.9	22%	0.218	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-40.9	176.1	177	0	0	0	0	111.3	F169 M181 R187 N188 I191 Y216	F169-V185 HydrophobicContact CE2-CG2 3.67Å; F169-V185 HydrophobicContact CZ-CG2 4.18Å; M181-V185 WeakPolarHBondContact O-CG2 3.41Å; M181-V185 PolarHBondContact O-N 2.94Å; V185-R187 PolarHBondContact O-N 3.28Å; V185-R187 VanDerWaalsContact O-N 3.1Å; V185-N188 PolarHBondContact O-N 3.26Å; V185-I191 HydrophobicContact CG2-CG2 3.69Å; V185-Y216 WeakPolarHBondContact CB-OH 3.27Å; V185-Y216 HydrophobicContact CG2-CE1 4.25Å; V185-Y216 VanDerWaalsContact CG2-OH 3.31Å; V185-Y216 WeakPolarHBondContact CG2-OH 3.36Å
186	R	91.3	Very high	94.3	Very high	98 Å²	98	39.7 Å²	39.7	37%	0.37	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-15.6	173.8	-75.1	-169.7	174.6	97.8	9.3	113.8	E182 I183 L184 P536	E182-R186 VanDerWaalsContact CG-NH1 3.32Å; E182-R186 WeakPolarHBondContact O-CG 3.3Å; E182-R186 PolarHBondContact O-N 3.39Å; E182-R186 VanDerWaalsContact O-N 3.14Å; E182-R186 IonicContact OE1-CZ 3.55Å; E182-R186 IonicContact OE1-NH1 2.71Å; E182-R186 PolarHBondContact OE1-NH1 3.37Å; E182-R186 IonicContact OE1-NH2 3.75Å; E182-R186 PolarHBondContact OE1-NH2 3.13Å; E182-R186 IonicContact OE2-NH1 3.63Å; I183-R186 PolarHBondContact O-N 2.93Å; L184-R186 VanDerWaalsContact C-N 3.32Å; L184-R186 PolarHBondContact O-N 3.3Å; R186-P536 HydrophobicContact CB-CB 4.25Å
187	R	89.6	Confident	94.3	Very high	48 Å²	48	44.7 Å²	44.7	18%	0.181	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	12.7	174.4	-62	-58.8	-176.6	-179.3	0.5	113.5	H150 Y158 I183 L184 V185 C189	H150-R187 PolarHBondContact CD2-NH2 3.31Å; H150-R187 PolarHBondContact CE1-NH1 3.35Å; H150-R187 PolarHBondContact CE1-NH2 3.32Å; H150-R187 PolarHBondContact ND1-NH2 3Å; H150-R187 PolarHBondContact NE2-NH2 3.05Å; Y158-R187 HydrophobicContact CD1-CB 4.4Å; Y158-R187 HydrophobicContact CD2-CB 4.2Å; Y158-R187 HydrophobicContact CE1-CB 4.12Å; Y158-R187 HydrophobicContact CE1-CG 4.07Å; Y158-R187 HydrophobicContact CE2-CB 3.93Å; Y158-R187 HydrophobicContact CE2-CG 4.26Å; Y158-R187 HydrophobicContact CG-CB 4.43Å; I183-R187 WeakPolarHBondContact O-CG 3.31Å; I183-R187 PolarHBondContact O-N 3.35Å; L184-R187 CarbonylContact O-C 3.36Å; L184-R187 WeakPolarHBondContact O-CA 3.37Å; L184-R187 WeakPolarHBondContact O-CB 3.49Å; L184-R187 PolarHBondContact O-N 3.13Å; V185-R187 PolarHBondContact O-N 3.28Å; V185-R187 VanDerWaalsContact O-N 3.1Å; R187-C189 PolarHBondContact O-N 3.27Å
188	N	88.9	Confident	94.3	Very high	149 Å²	149	44.2 Å²	44.2	80%	0.797	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	35	-178.9	-61.1	-18.9	0	0	0	112.7	V185	V185-N188 PolarHBondContact O-N 3.26Å
189	C	92.3	Very high	94.4	Very high	10 Å²	10	43.1 Å²	43.1	7%	0.068	22%	0.219	C	C	.	.			trans	-63.8	153	171.2	71.6	0	0	0	0	110.8	D159 L184 R187 I191	D159-C189 WeakPolarHBondContact OD1-CA 3.3Å; D159-C189 WeakPolarHBondContact OD1-CB 3.36Å; L184-C189 HydrophobicContact CB-CB 4.5Å; L184-C189 PolarHBondContact O-N 3.48Å; L184-C189 PolarHBondContact O-SG 3.27Å; R187-C189 PolarHBondContact O-N 3.27Å; C189-I191 PolarHBondContact O-N 3.09Å
190	N	94.3	Very high	94.5	Very high	71 Å²	71	41.2 Å²	41.2	38%	0.38	21%	0.209	S	C	.	.			trans	-70.4	92.4	174.6	-178.1	10.8	0	0	0	111.5	D159 N192 A193	D159-N190 HydrophobicContact CB-CB 4.43Å; D159-N190 VanDerWaalsContact CG-N 3.35Å; D159-N190 PolarHBondContact OD1-N 3.44Å; D159-N190 PolarHBondContact OD2-N 2.94Å; N190-N192 PolarHBondContact O-N 3.07Å; N190-N192 WeakPolarHBondContact OD1-CB 3.3Å; N190-N192 PolarHBondContact OD1-N 3.35Å; N190-A193 PolarHBondContact O-N 3.02Å
191	I	94.6	Very high	94.6	Very high	18 Å²	18	41.2 Å²	41.2	9%	0.092	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.1	176.3	68.2	-179.2	0	0	0	113.8	F169 V185 C189 A193 V220 L222 L223	F169-I191 HydrophobicContact CD1-CB 4.33Å; F169-I191 HydrophobicContact CD1-CG2 4.39Å; F169-I191 HydrophobicContact CD2-CG2 4.41Å; F169-I191 HydrophobicContact CE1-CB 3.82Å; F169-I191 HydrophobicContact CE1-CG2 3.95Å; F169-I191 HydrophobicContact CE2-CG2 3.99Å; F169-I191 HydrophobicContact CZ-CB 4.04Å; F169-I191 HydrophobicContact CZ-CG2 3.74Å; V185-I191 HydrophobicContact CG2-CG2 3.69Å; C189-I191 PolarHBondContact O-N 3.09Å; I191-A193 VanDerWaalsContact C-N 3.32Å; I191-V220 HydrophobicContact CD1-CG1 4.11Å; I191-L222 HydrophobicContact CD1-CD2 4.06Å; I191-L222 HydrophobicContact CG1-CD2 4.29Å; I191-L223 HydrophobicContact CB-CD1 4.41Å; I191-L223 HydrophobicContact CB-CD2 4.38Å; I191-L223 HydrophobicContact CD1-CD1 3.89Å; I191-L223 HydrophobicContact CD1-CD2 4.44Å; I191-L223 HydrophobicContact CD1-CG 3.89Å; I191-L223 HydrophobicContact CG1-CD2 4.36Å; I191-L223 HydrophobicContact CG1-CG 4.34Å
192	N	92.8	Very high	94.7	Very high	60 Å²	60	41.3 Å²	41.3	32%	0.321	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	3.6	-179.7	-66	-39.6	0	0	0	113.1	N190 K226	N190-N192 PolarHBondContact O-N 3.07Å; N190-N192 WeakPolarHBondContact OD1-CB 3.3Å; N190-N192 PolarHBondContact OD1-N 3.35Å; N192-K226 WeakPolarHBondContact OD1-CE 3.49Å
193	A	94.5	Very high	94.9	Very high	11 Å²	11	40.6 Å²	40.6	9%	0.091	21%	0.206	C	C	.	.			trans	-60.4	149.1	178.4	0	0	0	0	0	111.7	T167 L170 N190 I191	T167-A193 HydrophobicContact CG2-CB 3.61Å; L170-A193 HydrophobicContact CD1-CB 4.31Å; N190-A193 PolarHBondContact O-N 3.02Å; I191-A193 VanDerWaalsContact C-N 3.32Å
194	T	96.8	Very high	95.1	Very high	65 Å²	65	41.4 Å²	41.4	40%	0.399	21%	0.209	S	C	.	.			trans	-128	151.3	172.5	53.1	0	0	0	0	110	R199 N200	T194-R199 VanDerWaalsContact CA-O 3.27Å; T194-R199 WeakPolarHBondContact CA-O 3.44Å; T194-N200 HydrophobicContact CG2-CB 4.01Å
195	D	97.4	Very high	95.3	Very high	13 Å²	13	41.4 Å²	41.4	7%	0.07	21%	0.209	C	C	.	.			trans	-72.5	178.4	169.9	77.1	-3	0	0	0	111.6	M166 Y197 G198 R199 F204	M166-D195 HydrophobicContact CG-CB 4.49Å; M166-D195 HydrophobicContact SD-CB 3.77Å; D195-Y197 PolarHBondContact O-N 3.44Å; D195-Y197 VanDerWaalsContact O-N 3.13Å; D195-Y197 VanDerWaalsContact OD1-C 3.22Å; D195-Y197 VanDerWaalsContact OD1-CA 3.24Å; D195-Y197 WeakPolarHBondContact OD1-CA 3.41Å; D195-Y197 WeakPolarHBondContact OD1-CB 3.42Å; D195-Y197 PolarHBondContact OD1-N 3.38Å; D195-Y197 WeakPolarHBondContact OD2-CD2 3.43Å; D195-G198 PolarHBondContact O-N 3.43Å; D195-G198 PolarHBondContact OD1-N 3.44Å; D195-R199 PolarHBondContact N-O 2.96Å; D195-R199 WeakPolarHBondContact OD1-CB 3.48Å; D195-R199 PolarHBondContact OD1-N 3.03Å; D195-F204 HydrophobicContact CB-CZ 4.31Å; D195-F204 WeakPolarHBondContact OD2-CZ 3.31Å
196	T	97.5	Very high	95.5	Very high	79 Å²	79	39.7 Å²	39.7	49%	0.485	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.3	175.4	46.8	0	0	0	0	114.1	N164 N232	N164-T196 VanDerWaalsContact C-CG2 3.4Å; N164-T196 WeakPolarHBondContact O-CB 3.34Å; N164-T196 WeakPolarHBondContact O-CG2 3.35Å; N164-T196 PolarHBondContact O-N 2.91Å; N164-T196 PolarHBondContact O-OG1 2.9Å; T196-N232 PolarHBondContact O-ND2 3.34Å; T196-N232 VanDerWaalsContact O-ND2 3.14Å
197	Y	96.7	Very high	95.9	Very high	124 Å²	124	38.1 Å²	38.1	49%	0.486	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	5.3	173.7	-54.2	-81.5	0	0	0	112.4	D195 R199 N232	D195-Y197 PolarHBondContact O-N 3.44Å; D195-Y197 VanDerWaalsContact O-N 3.13Å; D195-Y197 VanDerWaalsContact OD1-C 3.22Å; D195-Y197 VanDerWaalsContact OD1-CA 3.24Å; D195-Y197 WeakPolarHBondContact OD1-CA 3.41Å; D195-Y197 WeakPolarHBondContact OD1-CB 3.42Å; D195-Y197 PolarHBondContact OD1-N 3.38Å; D195-Y197 WeakPolarHBondContact OD2-CD2 3.43Å; Y197-R199 VanDerWaalsContact C-N 3.32Å; Y197-N232 VanDerWaalsContact C-CG 3.43Å; Y197-N232 WeakPolarHBondContact O-CB 3.35Å; Y197-N232 PolarHBondContact O-N 2.93Å; Y197-N232 PolarHBondContact O-ND2 3.24Å
198	G	96.9	Very high	96.2	Very high	13 Å²	13	39.1 Å²	39.1	13%	0.134	20%	0.204	C	C	.	.			trans	77.8	13.7	-179.5	0	0	0	0	0	113.9	D195	D195-G198 PolarHBondContact O-N 3.43Å; D195-G198 PolarHBondContact OD1-N 3.44Å
199	R	98	Very high	96.6	Very high	49 Å²	49	32.9 Å²	32.9	19%	0.185	17%	0.174	C	C	.	.			trans	-86.3	122.2	-177.2	-64.4	174.2	171.3	158.6	1.1	111.2	T194 D195 Y197 H203 F204 D231	T194-R199 VanDerWaalsContact CA-O 3.27Å; T194-R199 WeakPolarHBondContact CA-O 3.44Å; D195-R199 PolarHBondContact N-O 2.96Å; D195-R199 WeakPolarHBondContact OD1-CB 3.48Å; D195-R199 PolarHBondContact OD1-N 3.03Å; Y197-R199 VanDerWaalsContact C-N 3.32Å; R199-H203 HydrophobicContact CB-CB 3.95Å; R199-H203 HydrophobicContact CG-CB 4.22Å; R199-F204 HydrophobicContact CB-CD2 4.39Å; R199-F204 HydrophobicContact CB-CE2 3.74Å; R199-F204 HydrophobicContact CB-CZ 4Å; R199-D231 HydrophobicContact CG-CB 3.66Å; R199-D231 IonicContact CZ-OD2 3.74Å; R199-D231 IonicContact NE-OD2 2.81Å; R199-D231 PolarHBondContact NE-OD2 3.05Å; R199-D231 IonicContact NH2-OD2 2.68Å; R199-D231 PolarHBondContact NH2-OD2 3.18Å
200	N	96.8	Very high	96.9	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.011	18%	0.182	C	C	.	.			trans	-87.4	178.4	171	68.3	29	0	0	0	111.5	T194 L202 H203 F204 E229	T194-N200 HydrophobicContact CG2-CB 4.01Å; N200-L202 VanDerWaalsContact C-N 3.29Å; N200-L202 PolarHBondContact O-N 2.7Å; N200-L202 WeakPolarHBondContact OD1-CB 3.39Å; N200-L202 PolarHBondContact OD1-N 3.4Å; N200-H203 PolarHBondContact N-ND1 2.58Å; N200-H203 WeakPolarHBondContact O-CB 3.48Å; N200-H203 PolarHBondContact O-N 3.04Å; N200-H203 VanDerWaalsContact O-N 3.13Å; N200-H203 PolarHBondContact OD1-N 3.04Å; N200-H203 PolarHBondContact OD1-ND1 2.85Å; N200-F204 VanDerWaalsContact O-CD2 3.3Å; N200-F204 WeakPolarHBondContact O-CD2 3.21Å; N200-F204 PolarHBondContact O-N 2.94Å; N200-E229 PolarHBondContact ND2-OE2 3.01Å
201	A	97.6	Very high	97	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57.6	-36.4	-178.9	0	0	0	0	0	113.8	F169 L170 A173 H203 F204 V205 L217	F169-A201 HydrophobicContact CD1-CB 4.25Å; F169-A201 HydrophobicContact CE1-CB 3.69Å; L170-A201 HydrophobicContact CD2-CB 4.15Å; A173-A201 HydrophobicContact CB-CB 3.86Å; A201-H203 VanDerWaalsContact C-N 3.34Å; A201-H203 PolarHBondContact O-N 2.8Å; A201-F204 PolarHBondContact O-N 3.32Å; A201-V205 PolarHBondContact O-N 3.13Å; A201-V205 VanDerWaalsContact O-N 3.12Å; A201-L217 HydrophobicContact CB-CD1 3.8Å; A201-L217 HydrophobicContact CB-CD2 4.05Å
202	L	97.9	Very high	97	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-62.1	-40.9	177.7	-71.5	172.9	0	0	0	111.6	N200 F204 V205 S206 L214 L217 L218 L223 K226 P237	N200-L202 VanDerWaalsContact C-N 3.29Å; N200-L202 PolarHBondContact O-N 2.7Å; N200-L202 WeakPolarHBondContact OD1-CB 3.39Å; N200-L202 PolarHBondContact OD1-N 3.4Å; L202-F204 VanDerWaalsContact C-N 3.31Å; L202-F204 PolarHBondContact O-N 3.45Å; L202-V205 WeakPolarHBondContact O-CG2 3.36Å; L202-S206 WeakPolarHBondContact O-CB 3.33Å; L202-S206 PolarHBondContact O-N 3.14Å; L202-S206 PolarHBondContact O-OG 2.91Å; L202-L214 HydrophobicContact CD2-CD1 3.81Å; L202-L217 HydrophobicContact CD2-CB 3.78Å; L202-L217 HydrophobicContact CD2-CD1 4.05Å; L202-L218 HydrophobicContact CD2-CD2 4.13Å; L202-L223 VanDerWaalsContact CD1-O 3.3Å; L202-L223 WeakPolarHBondContact CD1-O 3.48Å; L202-K226 HydrophobicContact CD1-CB 4.44Å; L202-P237 HydrophobicContact CB-CB 4.16Å; L202-P237 HydrophobicContact CB-CG 3.68Å
203	H	98.3	Very high	97.2	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-58.5	-44.5	176.4	-66.9	88.6	0	0	0	111.7	R199 N200 A201 K207 E229 C235 L240	R199-H203 HydrophobicContact CB-CB 3.95Å; R199-H203 HydrophobicContact CG-CB 4.22Å; N200-H203 PolarHBondContact N-ND1 2.58Å; N200-H203 WeakPolarHBondContact O-CB 3.48Å; N200-H203 PolarHBondContact O-N 3.04Å; N200-H203 VanDerWaalsContact O-N 3.13Å; N200-H203 PolarHBondContact OD1-N 3.04Å; N200-H203 PolarHBondContact OD1-ND1 2.85Å; A201-H203 VanDerWaalsContact C-N 3.34Å; A201-H203 PolarHBondContact O-N 2.8Å; H203-K207 WeakPolarHBondContact O-CB 3.46Å; H203-K207 PolarHBondContact O-N 3.36Å; H203-E229 PolarHBondContact NE2-O 3.47Å; H203-C235 PolarHBondContact CD2-O 3.25Å; H203-C235 PolarHBondContact NE2-O 2.96Å; H203-C235 VanDerWaalsContact NE2-O 3.07Å; H203-L240 HydrophobicContact CB-CD1 3.69Å
204	F	98.2	Very high	97.4	Very high	21 Å²	21	35.6 Å²	35.6	9%	0.092	18%	0.184	C	C	.	.	H	α-helix	trans	-68	-49	-177.7	-74.8	-71.6	0	0	0	113	M166 L170 D195 R199 N200 A201 L202 S206 K207 N208	M166-F204 HydrophobicContact CE-CE1 4.12Å; M166-F204 HydrophobicContact CE-CE2 4.19Å; M166-F204 HydrophobicContact CE-CZ 3.83Å; M166-F204 HydrophobicContact SD-CE1 4.18Å; M166-F204 HydrophobicContact SD-CE2 3.92Å; M166-F204 HydrophobicContact SD-CZ 3.43Å; M166-F204 WeakPolarHBondContact SD-CZ 3.34Å; L170-F204 HydrophobicContact CB-CE2 4.38Å; L170-F204 HydrophobicContact CD2-CD2 4.15Å; L170-F204 HydrophobicContact CD2-CE2 4.2Å; D195-F204 HydrophobicContact CB-CZ 4.31Å; D195-F204 WeakPolarHBondContact OD2-CZ 3.31Å; R199-F204 HydrophobicContact CB-CD2 4.39Å; R199-F204 HydrophobicContact CB-CE2 3.74Å; R199-F204 HydrophobicContact CB-CZ 4Å; N200-F204 VanDerWaalsContact O-CD2 3.3Å; N200-F204 WeakPolarHBondContact O-CD2 3.21Å; N200-F204 PolarHBondContact O-N 2.94Å; A201-F204 PolarHBondContact O-N 3.32Å; L202-F204 VanDerWaalsContact C-N 3.31Å; L202-F204 PolarHBondContact O-N 3.45Å; F204-S206 VanDerWaalsContact C-N 3.29Å; F204-S206 PolarHBondContact O-N 2.96Å; F204-K207 PolarHBondContact O-N 3.42Å; F204-N208 WeakPolarHBondContact O-CB 3.38Å; F204-N208 PolarHBondContact O-N 2.87Å
205	V	98.1	Very high	97.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64	-37.8	179.9	-63.1	0	0	0	0	111.5	A173 A201 L202 G209 H210 A213 L214 L217	A173-V205 HydrophobicContact CB-CG1 4.06Å; A173-V205 WeakPolarHBondContact O-CG1 3.35Å; A201-V205 PolarHBondContact O-N 3.13Å; A201-V205 VanDerWaalsContact O-N 3.12Å; L202-V205 WeakPolarHBondContact O-CG2 3.36Å; V205-G209 PolarHBondContact O-N 3.28Å; V205-H210 HydrophobicContact CB-CB 4.2Å; V205-H210 HydrophobicContact CG1-CB 4.38Å; V205-H210 PolarHBondContact O-N 3.43Å; V205-A213 HydrophobicContact CG1-CB 3.73Å; V205-L214 HydrophobicContact CB-CB 4.22Å; V205-L214 HydrophobicContact CG2-CB 3.82Å; V205-L214 HydrophobicContact CG2-CD1 3.72Å; V205-L214 HydrophobicContact CG2-CG 4.33Å; V205-L217 HydrophobicContact CB-CD1 4.36Å; V205-L217 HydrophobicContact CG1-CD1 3.73Å; V205-L217 HydrophobicContact CG2-CD1 3.64Å
206	S	98.1	Very high	97.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-71.9	-40.3	-179.1	-63.6	0	0	0	0	111.9	L202 F204 P237 A241	L202-S206 WeakPolarHBondContact O-CB 3.33Å; L202-S206 PolarHBondContact O-N 3.14Å; L202-S206 PolarHBondContact O-OG 2.91Å; F204-S206 VanDerWaalsContact C-N 3.29Å; F204-S206 PolarHBondContact O-N 2.96Å; S206-P237 VanDerWaalsContact CB-O 3.28Å; S206-P237 WeakPolarHBondContact CB-O 3.26Å; S206-A241 WeakPolarHBondContact O-CA 3.45Å
207	K	98.1	Very high	97.2	Very high	66 Å²	66	35 Å²	35	29%	0.287	17%	0.166	S	C	.	.	H	α-helix	trans	-62.7	-42.7	175.4	-173.7	-178.5	177.4	-177.9	0	112.1	H203 F204 L240 N244	H203-K207 WeakPolarHBondContact O-CB 3.46Å; H203-K207 PolarHBondContact O-N 3.36Å; F204-K207 PolarHBondContact O-N 3.42Å; K207-L240 HydrophobicContact CB-CB 3.93Å; K207-L240 HydrophobicContact CB-CD1 4.24Å; K207-L240 HydrophobicContact CG-CB 4.34Å; K207-N244 WeakPolarHBondContact CG-ND2 3.46Å; K207-N244 PolarHBondContact O-ND2 3.43Å
208	N	97.2	Very high	97.1	Very high	69 Å²	69	29.7 Å²	29.7	37%	0.369	15%	0.146	S	C	.	.	H	α-helix	trans	-93.6	-3.2	-171.3	-66.3	-8.4	0	0	0	113.8	S174 F204	S174-N208 PolarHBondContact O-ND2 2.97Å; F204-N208 WeakPolarHBondContact O-CB 3.38Å; F204-N208 PolarHBondContact O-N 2.87Å
209	G	96.7	Very high	96.9	Very high	17 Å²	17	32.9 Å²	32.9	18%	0.175	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	22.3	175.6	0	0	0	0	0	115	V205 I211 Q246	V205-G209 PolarHBondContact O-N 3.28Å; G209-I211 PolarHBondContact O-N 3.1Å; G209-I211 VanDerWaalsContact O-N 3.08Å; G209-Q246 VanDerWaalsContact CA-CD 3.43Å
210	H	97.8	Very high	96.6	Very high	50 Å²	50	32.1 Å²	32.1	23%	0.231	17%	0.167	C	C	.	.			trans	-82.6	89	-175.7	-63.5	-47.1	0	0	0	111.3	A173 S174 K175 G176 V205 A213 L214	A173-H210 PolarHBondContact O-CD2 2.92Å; S174-H210 PolarHBondContact O-CD2 2.94Å; S174-H210 PolarHBondContact O-NE2 3.03Å; K175-H210 VanDerWaalsContact C-NE2 3.29Å; G176-H210 VanDerWaalsContact CA-CD2 3.43Å; G176-H210 WeakPolarHBondContact CA-CD2 3.16Å; G176-H210 PolarHBondContact N-CD2 3.4Å; G176-H210 PolarHBondContact N-NE2 3.31Å; V205-H210 HydrophobicContact CB-CB 4.2Å; V205-H210 HydrophobicContact CG1-CB 4.38Å; V205-H210 PolarHBondContact O-N 3.43Å; H210-A213 HydrophobicContact CB-CB 4Å; H210-L214 VanDerWaalsContact O-CB 3.27Å; H210-L214 WeakPolarHBondContact O-CB 3.17Å; H210-L214 PolarHBondContact O-N 3.22Å
211	I	96.8	Very high	96.3	Very high	66 Å²	66	38.7 Å²	38.7	34%	0.338	20%	0.197	S	C	.	.	H	α-helix	trans	-61.3	-52.7	-171.9	-57.3	173.7	0	0	0	111.9	G209 L214 Y215 H248 L252	G209-I211 PolarHBondContact O-N 3.1Å; G209-I211 VanDerWaalsContact O-N 3.08Å; I211-L214 PolarHBondContact O-N 2.85Å; I211-Y215 PolarHBondContact O-N 3.14Å; I211-H248 HydrophobicContact CD1-CB 3.49Å; I211-H248 VanDerWaalsContact CD1-CB 3.49Å; I211-H248 HydrophobicContact CG1-CB 3.87Å; I211-L252 HydrophobicContact CG2-CD1 3.71Å
212	D	95.9	Very high	96	Very high	111 Å²	111	42.8 Å²	42.8	59%	0.594	22%	0.219	S	C	*	.	H	α-helix	trans	-66	-43.1	-175.7	-58.5	-43.4	0	0	0	111.5	E178 L214 Y215 Y216	E178-D212 HydrophobicContact CB-CB 4.48Å; D212-L214 VanDerWaalsContact C-N 3.33Å; D212-L214 PolarHBondContact O-N 3.16Å; D212-Y215 WeakPolarHBondContact O-CB 3.42Å; D212-Y215 PolarHBondContact O-N 2.83Å; D212-Y216 PolarHBondContact O-N 2.95Å
213	A	96.9	Very high	95.7	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-39.5	174.9	0	0	0	0	0	112.1	E178 M181 V205 H210 Y216 L217	E178-A213 HydrophobicContact CB-CB 4.38Å; M181-A213 HydrophobicContact SD-CB 3.91Å; V205-A213 HydrophobicContact CG1-CB 3.73Å; H210-A213 HydrophobicContact CB-CB 4Å; A213-Y216 PolarHBondContact O-N 3.41Å; A213-L217 VanDerWaalsContact O-CG 3.3Å; A213-L217 WeakPolarHBondContact O-CG 3.16Å; A213-L217 PolarHBondContact O-N 3.42Å
214	L	97.8	Very high	95.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.2	-44.5	173.9	175.7	62.1	0	0	0	111.7	L202 V205 H210 I211 D212 Y216 L217 L218 C249 L252 L253	L202-L214 HydrophobicContact CD2-CD1 3.81Å; V205-L214 HydrophobicContact CB-CB 4.22Å; V205-L214 HydrophobicContact CG2-CB 3.82Å; V205-L214 HydrophobicContact CG2-CD1 3.72Å; V205-L214 HydrophobicContact CG2-CG 4.33Å; H210-L214 VanDerWaalsContact O-CB 3.27Å; H210-L214 WeakPolarHBondContact O-CB 3.17Å; H210-L214 PolarHBondContact O-N 3.22Å; I211-L214 PolarHBondContact O-N 2.85Å; D212-L214 VanDerWaalsContact C-N 3.33Å; D212-L214 PolarHBondContact O-N 3.16Å; L214-Y216 VanDerWaalsContact C-N 3.31Å; L214-Y216 PolarHBondContact O-N 3.01Å; L214-L217 PolarHBondContact O-N 2.94Å; L214-L218 HydrophobicContact CD1-CD1 3.79Å; L214-L218 HydrophobicContact CD1-CD2 4.47Å; L214-L218 HydrophobicContact CD1-CG 3.9Å; L214-L218 HydrophobicContact CG-CD1 3.84Å; L214-L218 HydrophobicContact CG-CG 4.35Å; L214-L218 WeakPolarHBondContact O-CB 3.2Å; L214-L218 VanDerWaalsContact O-CG 3.27Å; L214-L218 WeakPolarHBondContact O-CG 3.43Å; L214-L218 PolarHBondContact O-N 3.31Å; L214-C249 HydrophobicContact CD2-CB 3.68Å; L214-L252 HydrophobicContact CD2-CB 3.99Å; L214-L252 HydrophobicContact CD2-CD1 4.2Å; L214-L252 HydrophobicContact CG-CD1 4.48Å; L214-L253 HydrophobicContact CD1-CD2 3.98Å; L214-L253 HydrophobicContact CD1-CG 4.49Å; L214-L253 HydrophobicContact CD2-CG 4.24Å
215	Y	96.1	Very high	95.2	Very high	117 Å²	117	49.5 Å²	49.5	46%	0.459	26%	0.259	S	S	.	.	H	α-helix	trans	-58	-45.4	176.1	-175	-88.4	0	0	0	111.1	I211 D212 L218 S219 L252 L420	I211-Y215 PolarHBondContact O-N 3.14Å; D212-Y215 WeakPolarHBondContact O-CB 3.42Å; D212-Y215 PolarHBondContact O-N 2.83Å; Y215-L218 PolarHBondContact O-N 3.39Å; Y215-S219 PolarHBondContact O-N 2.68Å; Y215-S219 VanDerWaalsContact O-N 3.1Å; Y215-L252 HydrophobicContact CD2-CD2 4.35Å; Y215-L420 HydrophobicContact CD2-CD2 4.04Å; Y215-L420 HydrophobicContact CE2-CD2 3.63Å
216	Y	94.8	Very high	95.1	Very high	27 Å²	27	51.1 Å²	51.1	11%	0.106	27%	0.266	C	S	.	.	H	α-helix	trans	-59.1	-50.7	173.8	173.5	-105.8	0	0	0	112.1	E178 M181 E182 V185 D212 A213 L214 L218 S219	E178-Y216 HydrophobicContact CG-CG 4.21Å; M181-Y216 HydrophobicContact CB-CD1 4.25Å; M181-Y216 HydrophobicContact CB-CE1 4.05Å; M181-Y216 HydrophobicContact CE-CD1 4.41Å; E182-Y216 WeakPolarHBondContact CA-OH 3.44Å; E182-Y216 HydrophobicContact CB-CE2 4.09Å; E182-Y216 HydrophobicContact CG-CE2 3.86Å; V185-Y216 WeakPolarHBondContact CB-OH 3.27Å; V185-Y216 HydrophobicContact CG2-CE1 4.25Å; V185-Y216 VanDerWaalsContact CG2-OH 3.31Å; V185-Y216 WeakPolarHBondContact CG2-OH 3.36Å; D212-Y216 PolarHBondContact O-N 2.95Å; A213-Y216 PolarHBondContact O-N 3.41Å; L214-Y216 VanDerWaalsContact C-N 3.31Å; L214-Y216 PolarHBondContact O-N 3.01Å; Y216-L218 VanDerWaalsContact C-N 3.29Å; Y216-L218 PolarHBondContact O-N 3.38Å; Y216-S219 WeakPolarHBondContact O-CB 3.35Å; Y216-S219 PolarHBondContact O-N 2.74Å; Y216-S219 PolarHBondContact O-OG 3.07Å
217	L	95.7	Very high	95	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.6	-38.9	179.3	-71.8	176	0	0	0	112.4	F169 M181 A201 L202 V205 A213 L214 S219 V220 L223	F169-L217 HydrophobicContact CE1-CD2 4.24Å; F169-L217 HydrophobicContact CZ-CD2 3.81Å; M181-L217 HydrophobicContact CE-CD1 3.82Å; M181-L217 HydrophobicContact CE-CD2 3.37Å; M181-L217 HydrophobicContact CE-CG 3.55Å; A201-L217 HydrophobicContact CB-CD1 3.8Å; A201-L217 HydrophobicContact CB-CD2 4.05Å; L202-L217 HydrophobicContact CD2-CB 3.78Å; L202-L217 HydrophobicContact CD2-CD1 4.05Å; V205-L217 HydrophobicContact CB-CD1 4.36Å; V205-L217 HydrophobicContact CG1-CD1 3.73Å; V205-L217 HydrophobicContact CG2-CD1 3.64Å; A213-L217 VanDerWaalsContact O-CG 3.3Å; A213-L217 WeakPolarHBondContact O-CG 3.16Å; A213-L217 PolarHBondContact O-N 3.42Å; L214-L217 PolarHBondContact O-N 2.94Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 2.88Å; L217-V220 PolarHBondContact O-N 2.91Å; L217-L223 HydrophobicContact CB-CD1 4.42Å; L217-L223 HydrophobicContact CD2-CD1 3.34Å; L217-L223 HydrophobicContact CD2-CG 4.43Å; L217-L223 HydrophobicContact CG-CD1 4.47Å; L217-L223 WeakPolarHBondContact O-CB 3.3Å
218	L	95.1	Very high	95	Very high	13 Å²	13	51.4 Å²	51.4	7%	0.068	27%	0.271	C	S	.	.	H	α-helix	trans	-72.5	-17.9	177.8	-67.3	172.9	0	0	0	113.3	L202 L214 Y215 Y216 V220 I227 L252 A256	L202-L218 HydrophobicContact CD2-CD2 4.13Å; L214-L218 HydrophobicContact CD1-CD1 3.79Å; L214-L218 HydrophobicContact CD1-CD2 4.47Å; L214-L218 HydrophobicContact CD1-CG 3.9Å; L214-L218 HydrophobicContact CG-CD1 3.84Å; L214-L218 HydrophobicContact CG-CG 4.35Å; L214-L218 WeakPolarHBondContact O-CB 3.2Å; L214-L218 VanDerWaalsContact O-CG 3.27Å; L214-L218 WeakPolarHBondContact O-CG 3.43Å; L214-L218 PolarHBondContact O-N 3.31Å; Y215-L218 PolarHBondContact O-N 3.39Å; Y216-L218 VanDerWaalsContact C-N 3.29Å; Y216-L218 PolarHBondContact O-N 3.38Å; L218-V220 VanDerWaalsContact C-N 3.3Å; L218-I227 HydrophobicContact CD2-CD1 3.83Å; L218-I227 HydrophobicContact CD2-CG1 4.39Å; L218-L252 HydrophobicContact CD1-CB 4.27Å; L218-A256 HydrophobicContact CD1-CB 3.83Å; L218-A256 HydrophobicContact CD2-CB 3.89Å; L218-A256 HydrophobicContact CG-CB 4.3Å
219	S	93.3	Very high	95	Very high	79 Å²	79	51.5 Å²	51.5	55%	0.552	27%	0.269	S	S	*	.	H	α-helix	trans	-76.5	-17.7	172	80.4	0	0	0	0	113.3	Y215 Y216 L217	Y215-S219 PolarHBondContact O-N 2.68Å; Y215-S219 VanDerWaalsContact O-N 3.1Å; Y216-S219 WeakPolarHBondContact O-CB 3.35Å; Y216-S219 PolarHBondContact O-N 2.74Å; Y216-S219 PolarHBondContact O-OG 3.07Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 2.88Å
220	V	92.1	Very high	95	Very high	33 Å²	33	54.6 Å²	54.6	20%	0.2	28%	0.281	C	S	.	.	S	Bend	trans	-92.7	111.2	178.2	-178.8	0	0	0	0	109.5	I191 L217 L218 L222 L223 K224	I191-V220 HydrophobicContact CD1-CG1 4.11Å; L217-V220 PolarHBondContact O-N 2.91Å; L218-V220 VanDerWaalsContact C-N 3.3Å; V220-L222 VanDerWaalsContact C-N 3.29Å; V220-L222 PolarHBondContact O-N 3.32Å; V220-L222 VanDerWaalsContact O-N 3.16Å; V220-L223 HydrophobicContact CB-CB 4.34Å; V220-L223 HydrophobicContact CB-CD1 3.9Å; V220-L223 HydrophobicContact CB-CG 4.47Å; V220-L223 HydrophobicContact CG1-CD1 4Å; V220-L223 HydrophobicContact CG1-CG 4.33Å; V220-L223 HydrophobicContact CG2-CD1 4.38Å; V220-L223 PolarHBondContact O-N 3.44Å; V220-K224 PolarHBondContact O-N 3.33Å
221	E	90.6	Very high	94.9	Very high	140 Å²	140	52.5 Å²	52.5	65%	0.654	27%	0.271	S	S	*	.	H	α-helix	trans	-53.8	-41.2	-172.6	-171.4	60.3	-158.5	0	0	113.7	L223 K224 S225	E221-L223 VanDerWaalsContact C-N 3.31Å; E221-L223 PolarHBondContact O-N 3.4Å; E221-K224 PolarHBondContact O-N 3.46Å; E221-S225 PolarHBondContact O-N 2.88Å
222	L	90.3	Very high	94.9	Very high	87 Å²	87	55.4 Å²	55.4	46%	0.455	29%	0.287	S	S	.	.	H	α-helix	trans	-60.6	-40.9	178.8	-175.3	61.1	0	0	0	112.1	I191 V220 S225	I191-L222 HydrophobicContact CD1-CD2 4.06Å; I191-L222 HydrophobicContact CG1-CD2 4.29Å; V220-L222 VanDerWaalsContact C-N 3.29Å; V220-L222 PolarHBondContact O-N 3.32Å; V220-L222 VanDerWaalsContact O-N 3.16Å; L222-S225 PolarHBondContact O-OG 2.87Å
223	L	91.2	Very high	94.9	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-76.9	-38.9	178.7	-72.2	162.3	0	0	0	111	I191 L202 L217 V220 E221 S225 K226	I191-L223 HydrophobicContact CB-CD1 4.41Å; I191-L223 HydrophobicContact CB-CD2 4.38Å; I191-L223 HydrophobicContact CD1-CD1 3.89Å; I191-L223 HydrophobicContact CD1-CD2 4.44Å; I191-L223 HydrophobicContact CD1-CG 3.89Å; I191-L223 HydrophobicContact CG1-CD2 4.36Å; I191-L223 HydrophobicContact CG1-CG 4.34Å; L202-L223 VanDerWaalsContact CD1-O 3.3Å; L202-L223 WeakPolarHBondContact CD1-O 3.48Å; L217-L223 HydrophobicContact CB-CD1 4.42Å; L217-L223 HydrophobicContact CD2-CD1 3.34Å; L217-L223 HydrophobicContact CD2-CG 4.43Å; L217-L223 HydrophobicContact CG-CD1 4.47Å; L217-L223 WeakPolarHBondContact O-CB 3.3Å; V220-L223 HydrophobicContact CB-CB 4.34Å; V220-L223 HydrophobicContact CB-CD1 3.9Å; V220-L223 HydrophobicContact CB-CG 4.47Å; V220-L223 HydrophobicContact CG1-CD1 4Å; V220-L223 HydrophobicContact CG1-CG 4.33Å; V220-L223 HydrophobicContact CG2-CD1 4.38Å; V220-L223 PolarHBondContact O-N 3.44Å; E221-L223 VanDerWaalsContact C-N 3.31Å; E221-L223 PolarHBondContact O-N 3.4Å; L223-S225 PolarHBondContact O-N 3.48Å; L223-K226 WeakPolarHBondContact O-CA 3.49Å; L223-K226 WeakPolarHBondContact O-CB 3.36Å; L223-K226 PolarHBondContact O-N 2.99Å
224	K	93	Very high	94.8	Very high	76 Å²	76	53.2 Å²	53.2	33%	0.33	28%	0.282	S	S	.	.	H	α-helix	trans	-56.9	-37.3	174.2	-170.7	-179.8	-178.9	178.1	0	112.3	V220 E221 K226 I227 A256	V220-K224 PolarHBondContact O-N 3.33Å; E221-K224 PolarHBondContact O-N 3.46Å; K224-K226 PolarHBondContact O-N 2.81Å; K224-K226 VanDerWaalsContact O-N 3.11Å; K224-I227 WeakPolarHBondContact O-CB 3.37Å; K224-I227 WeakPolarHBondContact O-CG2 3.43Å; K224-I227 PolarHBondContact O-N 3.11Å; K224-I227 VanDerWaalsContact O-N 3.16Å; K224-A256 WeakPolarHBondContact CE-O 3.27Å
225	S	94.3	Very high	94.8	Very high	86 Å²	86	53.4 Å²	53.4	60%	0.601	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.4	175.2	79.2	0	0	0	0	113.8	E221 L222 L223	E221-S225 PolarHBondContact O-N 2.88Å; L222-S225 PolarHBondContact O-OG 2.87Å; L223-S225 PolarHBondContact O-N 3.48Å
226	K	95	Very high	94.8	Very high	35 Å²	35	47.9 Å²	47.9	15%	0.152	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	10.8	-178.9	-61.8	178.8	158.5	-80.1	0	114	N192 L202 L223 K224 N228 E229	N192-K226 WeakPolarHBondContact OD1-CE 3.49Å; L202-K226 HydrophobicContact CD1-CB 4.44Å; L223-K226 WeakPolarHBondContact O-CA 3.49Å; L223-K226 WeakPolarHBondContact O-CB 3.36Å; L223-K226 PolarHBondContact O-N 2.99Å; K224-K226 PolarHBondContact O-N 2.81Å; K224-K226 VanDerWaalsContact O-N 3.11Å; K226-N228 PolarHBondContact O-N 3.27Å; K226-E229 HydrophobicContact CB-CG 3.84Å; K226-E229 WeakPolarHBondContact CD-OE2 3.4Å; K226-E229 VanDerWaalsContact CG-CD 3.46Å; K226-E229 HydrophobicContact CG-CG 4.22Å; K226-E229 WeakPolarHBondContact CG-OE1 3.42Å; K226-E229 IonicContact NZ-OE1 3.48Å; K226-E229 PolarHBondContact NZ-OE1 2.83Å; K226-E229 IonicContact NZ-OE2 3.11Å; K226-E229 PolarHBondContact NZ-OE2 3.14Å; K226-E229 WeakPolarHBondContact O-CB 3.47Å; K226-E229 PolarHBondContact O-N 3.36Å
227	I	96.6	Very high	95	Very high	11 Å²	11	46.6 Å²	46.6	6%	0.056	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-26.8	-174.1	-163.8	166.3	0	0	0	114.6	L218 K224 P237 L253 A256 A258	L218-I227 HydrophobicContact CD2-CD1 3.83Å; L218-I227 HydrophobicContact CD2-CG1 4.39Å; K224-I227 WeakPolarHBondContact O-CB 3.37Å; K224-I227 WeakPolarHBondContact O-CG2 3.43Å; K224-I227 PolarHBondContact O-N 3.11Å; K224-I227 VanDerWaalsContact O-N 3.16Å; I227-P237 WeakPolarHBondContact O-CD 3.29Å; I227-L253 HydrophobicContact CD1-CD2 4.13Å; I227-L253 WeakPolarHBondContact CD1-O 3.47Å; I227-L253 HydrophobicContact CG1-CD2 3.9Å; I227-A256 HydrophobicContact CD1-CB 3.75Å; I227-A258 HydrophobicContact CD1-CB 3.83Å; I227-A258 HydrophobicContact CG1-CB 3.89Å
228	N	97.5	Very high	95.1	Very high	61 Å²	61	46.6 Å²	46.6	33%	0.326	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	11.3	179.7	-65.9	-46.6	0	0	0	113.2	K226 N259 I262	K226-N228 PolarHBondContact O-N 3.27Å; N228-N259 PolarHBondContact OD1-N 3.16Å; N228-I262 HydrophobicContact CB-CD1 3.91Å
229	E	96.7	Very high	95.2	Very high	70 Å²	70	46 Å²	46	33%	0.327	25%	0.254	S	S	.	.			trans	-61.7	149.2	174.5	-75.8	-170.5	162.3	0	0	111	N200 H203 K226 S236 P237	N200-E229 PolarHBondContact ND2-OE2 3.01Å; H203-E229 PolarHBondContact NE2-O 3.47Å; K226-E229 HydrophobicContact CB-CG 3.84Å; K226-E229 WeakPolarHBondContact CD-OE2 3.4Å; K226-E229 VanDerWaalsContact CG-CD 3.46Å; K226-E229 HydrophobicContact CG-CG 4.22Å; K226-E229 WeakPolarHBondContact CG-OE1 3.42Å; K226-E229 IonicContact NZ-OE1 3.48Å; K226-E229 PolarHBondContact NZ-OE1 2.83Å; K226-E229 IonicContact NZ-OE2 3.11Å; K226-E229 PolarHBondContact NZ-OE2 3.14Å; K226-E229 WeakPolarHBondContact O-CB 3.47Å; K226-E229 PolarHBondContact O-N 3.36Å; E229-S236 WeakPolarHBondContact O-CA 3.41Å; E229-P237 WeakPolarHBondContact O-CD 3.32Å
230	L	97.2	Very high	95.5	Very high	83 Å²	83	42.3 Å²	42.3	44%	0.435	23%	0.228	S	C	.	.			trans	-111	135.6	-177.3	-58.3	172.2	0	0	0	109.3	C235 I262 T264	L230-C235 WeakPolarHBondContact CA-O 3.42Å; L230-I262 HydrophobicContact CD2-CD1 4.09Å; L230-T264 HydrophobicContact CD1-CG2 3.49Å; L230-T264 VanDerWaalsContact CD1-CG2 3.49Å; L230-T264 HydrophobicContact CD2-CG2 3.69Å; L230-T264 HydrophobicContact CG-CG2 4.2Å
231	D	96.5	Very high	95.8	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.032	22%	0.219	C	C	.	.			trans	-73.2	176.7	166.8	82	1.4	0	0	0	111.6	R199 S233 G234 C235	R199-D231 HydrophobicContact CG-CB 3.66Å; R199-D231 IonicContact CZ-OD2 3.74Å; R199-D231 IonicContact NE-OD2 2.81Å; R199-D231 PolarHBondContact NE-OD2 3.05Å; R199-D231 IonicContact NH2-OD2 2.68Å; R199-D231 PolarHBondContact NH2-OD2 3.18Å; D231-S233 VanDerWaalsContact CG-OG 3.28Å; D231-S233 PolarHBondContact O-N 2.77Å; D231-S233 VanDerWaalsContact O-N 3.09Å; D231-S233 WeakPolarHBondContact OD1-CA 3.39Å; D231-S233 WeakPolarHBondContact OD1-CB 3.41Å; D231-S233 PolarHBondContact OD1-N 3.21Å; D231-S233 PolarHBondContact OD1-OG 3.04Å; D231-S233 PolarHBondContact OD2-OG 3.47Å; D231-G234 PolarHBondContact O-N 3.27Å; D231-G234 PolarHBondContact OD1-N 3.38Å; D231-C235 PolarHBondContact N-O 3.13Å; D231-C235 PolarHBondContact OD1-N 3.47Å
232	N	96.8	Very high	96.1	Very high	126 Å²	126	34.1 Å²	34.1	67%	0.674	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.9	-177.6	-66	-12.4	0	0	0	113.4	T196 Y197	T196-N232 PolarHBondContact O-ND2 3.34Å; T196-N232 VanDerWaalsContact O-ND2 3.14Å; Y197-N232 VanDerWaalsContact C-CG 3.43Å; Y197-N232 WeakPolarHBondContact O-CB 3.35Å; Y197-N232 PolarHBondContact O-N 2.93Å; Y197-N232 PolarHBondContact O-ND2 3.24Å
233	S	94.9	Very high	96.4	Very high	57 Å²	57	31.8 Å²	31.8	40%	0.399	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-2.7	173.5	64.8	0	0	0	0	113.4	D231 T266	D231-S233 VanDerWaalsContact CG-OG 3.28Å; D231-S233 PolarHBondContact O-N 2.77Å; D231-S233 VanDerWaalsContact O-N 3.09Å; D231-S233 WeakPolarHBondContact OD1-CA 3.39Å; D231-S233 WeakPolarHBondContact OD1-CB 3.41Å; D231-S233 PolarHBondContact OD1-N 3.21Å; D231-S233 PolarHBondContact OD1-OG 3.04Å; D231-S233 PolarHBondContact OD2-OG 3.47Å; S233-T266 PolarHBondContact O-OG1 3.09Å; S233-T266 VanDerWaalsContact O-OG1 3.05Å
234	G	95.6	Very high	96.6	Very high	9 Å²	9	35 Å²	35	9%	0.093	19%	0.192	C	C	.	.	S	Bend	trans	80.7	18.5	-175.9	0	0	0	0	0	113.2	D231 T264 R267	D231-G234 PolarHBondContact O-N 3.27Å; D231-G234 PolarHBondContact OD1-N 3.38Å; G234-T264 WeakPolarHBondContact O-CG2 3.3Å; G234-T264 PolarHBondContact O-OG1 3.19Å; G234-R267 WeakPolarHBondContact O-CG 3.38Å
235	C	97	Very high	96.8	Very high	5 Å²	5	34 Å²	34	3%	0.034	19%	0.19	C	C	.	.			trans	-91.3	132.1	174.8	-69.5	0	0	0	0	110.1	H203 L230 D231 H239 L240 E243 R267	H203-C235 PolarHBondContact CD2-O 3.25Å; H203-C235 PolarHBondContact NE2-O 2.96Å; H203-C235 VanDerWaalsContact NE2-O 3.07Å; L230-C235 WeakPolarHBondContact CA-O 3.42Å; D231-C235 PolarHBondContact N-O 3.13Å; D231-C235 PolarHBondContact OD1-N 3.47Å; C235-H239 HydrophobicContact CB-CB 4.09Å; C235-L240 HydrophobicContact CB-CD2 3.83Å; C235-L240 HydrophobicContact CB-CG 4.06Å; C235-E243 PolarHBondContact SG-OE1 3.46Å; C235-E243 VanDerWaalsContact SG-OE1 3.33Å; C235-R267 PolarHBondContact SG-NE 2.91Å
236	S	97.6	Very high	97	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.172	C	C	.	.			trans	-91.2	170.3	166.3	69.4	0	0	0	0	111.1	E229 I238 H239 L240	E229-S236 WeakPolarHBondContact O-CA 3.41Å; S236-I238 PolarHBondContact O-N 3.25Å; S236-I238 VanDerWaalsContact OG-CG2 3.25Å; S236-I238 WeakPolarHBondContact OG-CG2 3.28Å; S236-H239 PolarHBondContact N-ND1 3.07Å; S236-H239 VanDerWaalsContact N-ND1 3.14Å; S236-H239 WeakPolarHBondContact O-CB 3.31Å; S236-H239 PolarHBondContact O-N 3.12Å; S236-H239 PolarHBondContact OG-N 3.06Å; S236-H239 PolarHBondContact OG-ND1 3.06Å; S236-L240 PolarHBondContact O-N 3.43Å
237	P	98.2	Very high	97.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-53.1	-39.4	175	-28.8	36.3	0	0	0	113.5	L202 S206 I227 E229 L240 A241 L253	L202-P237 HydrophobicContact CB-CB 4.16Å; L202-P237 HydrophobicContact CB-CG 3.68Å; S206-P237 VanDerWaalsContact CB-O 3.28Å; S206-P237 WeakPolarHBondContact CB-O 3.26Å; I227-P237 WeakPolarHBondContact O-CD 3.29Å; E229-P237 WeakPolarHBondContact O-CD 3.32Å; P237-L240 PolarHBondContact O-N 3.41Å; P237-A241 PolarHBondContact O-N 3.03Å; P237-L253 HydrophobicContact CB-CD1 4.19Å; P237-L253 HydrophobicContact CB-CD2 4.14Å
238	I	98.1	Very high	97	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-71.4	-32.9	178.1	-168.3	166.8	0	0	0	112.7	S236 L240 A241 C242 L253 L254 A258 I262 P270 L286	S236-I238 PolarHBondContact O-N 3.25Å; S236-I238 VanDerWaalsContact OG-CG2 3.25Å; S236-I238 WeakPolarHBondContact OG-CG2 3.28Å; I238-L240 VanDerWaalsContact C-N 3.34Å; I238-L240 PolarHBondContact O-N 3Å; I238-A241 PolarHBondContact O-N 3.48Å; I238-C242 WeakPolarHBondContact O-CB 3.27Å; I238-C242 PolarHBondContact O-N 2.95Å; I238-C242 PolarHBondContact O-SG 3.08Å; I238-C242 VanDerWaalsContact O-SG 3.4Å; I238-L253 HydrophobicContact CB-CD1 3.96Å; I238-L253 HydrophobicContact CG1-CD1 4.44Å; I238-L254 HydrophobicContact CD1-CD1 4.35Å; I238-L254 HydrophobicContact CD1-CD2 3.51Å; I238-L254 HydrophobicContact CD1-CG 3.73Å; I238-A258 HydrophobicContact CD1-CB 4.34Å; I238-I262 HydrophobicContact CG2-CG2 3.6Å; I238-P270 HydrophobicContact CG1-CG 4.3Å; I238-P270 HydrophobicContact CG2-CG 3.96Å; I238-L286 HydrophobicContact CD1-CD2 4.02Å
239	H	97.9	Very high	97	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.3	-49.2	171.4	-74.3	99.8	0	0	0	110.6	C235 S236 A241 C242 E243 D268	C235-H239 HydrophobicContact CB-CB 4.09Å; S236-H239 PolarHBondContact N-ND1 3.07Å; S236-H239 VanDerWaalsContact N-ND1 3.14Å; S236-H239 WeakPolarHBondContact O-CB 3.31Å; S236-H239 PolarHBondContact O-N 3.12Å; S236-H239 PolarHBondContact OG-N 3.06Å; S236-H239 PolarHBondContact OG-ND1 3.06Å; H239-A241 PolarHBondContact O-N 3.39Å; H239-C242 PolarHBondContact O-N 2.84Å; H239-E243 VanDerWaalsContact O-CG 3.31Å; H239-E243 WeakPolarHBondContact O-CG 3.45Å; H239-E243 PolarHBondContact O-N 3.2Å; H239-D268 PolarHBondContact CD2-O 2.6Å; H239-D268 PolarHBondContact NE2-O 3.14Å
240	L	97.8	Very high	97.1	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	17%	0.168	C	C	.	.	H	α-helix	trans	-67.1	-37.4	-177.8	-61.9	177.7	0	0	0	112.6	H203 K207 C235 S236 P237 I238 N244	H203-L240 HydrophobicContact CB-CD1 3.69Å; K207-L240 HydrophobicContact CB-CB 3.93Å; K207-L240 HydrophobicContact CB-CD1 4.24Å; K207-L240 HydrophobicContact CG-CB 4.34Å; C235-L240 HydrophobicContact CB-CD2 3.83Å; C235-L240 HydrophobicContact CB-CG 4.06Å; S236-L240 PolarHBondContact O-N 3.43Å; P237-L240 PolarHBondContact O-N 3.41Å; I238-L240 VanDerWaalsContact C-N 3.34Å; I238-L240 PolarHBondContact O-N 3Å; L240-N244 PolarHBondContact O-N 3.08Å
241	A	98.3	Very high	97.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63	-42.6	173.9	0	0	0	0	0	111.6	S206 P237 I238 H239 N245 Q246 C249 V250 L253	S206-A241 WeakPolarHBondContact O-CA 3.45Å; P237-A241 PolarHBondContact O-N 3.03Å; I238-A241 PolarHBondContact O-N 3.48Å; H239-A241 PolarHBondContact O-N 3.39Å; A241-N245 PolarHBondContact O-N 2.87Å; A241-Q246 HydrophobicContact CB-CB 4.24Å; A241-Q246 PolarHBondContact O-N 3.24Å; A241-C249 HydrophobicContact CB-CB 4.15Å; A241-V250 HydrophobicContact CB-CG2 3.67Å; A241-L253 HydrophobicContact CB-CD1 4.17Å
242	C	98	Very high	97	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.6	-43.7	177.8	-76.6	0	0	0	0	112.7	I238 H239 N244 N245 V250 P270 C274 F279	I238-C242 WeakPolarHBondContact O-CB 3.27Å; I238-C242 PolarHBondContact O-N 2.95Å; I238-C242 PolarHBondContact O-SG 3.08Å; I238-C242 VanDerWaalsContact O-SG 3.4Å; H239-C242 PolarHBondContact O-N 2.84Å; C242-N244 PolarHBondContact O-N 3.24Å; C242-N245 PolarHBondContact O-N 3.24Å; C242-N245 VanDerWaalsContact O-N 3.14Å; C242-V250 VanDerWaalsContact SG-CG2 3.59Å; C242-P270 HydrophobicContact CB-CB 4.33Å; C242-C274 VanDerWaalsContact CB-SG 3.54Å; C242-F279 VanDerWaalsContact O-CD2 3.26Å; C242-F279 WeakPolarHBondContact O-CD2 3.45Å; C242-F279 VanDerWaalsContact O-CE2 3.29Å; C242-F279 WeakPolarHBondContact O-CE2 3.38Å
243	E	96.4	Very high	97.1	Very high	38 Å²	38	23.2 Å²	23.2	18%	0.178	12%	0.12	C	C	.	.	H	α-helix	trans	-55.4	-36.8	176.9	-77.5	169.6	-143.2	0	0	112.5	C235 H239 R267 E273 R277	C235-E243 PolarHBondContact SG-OE1 3.46Å; C235-E243 VanDerWaalsContact SG-OE1 3.33Å; H239-E243 VanDerWaalsContact O-CG 3.31Å; H239-E243 WeakPolarHBondContact O-CG 3.45Å; H239-E243 PolarHBondContact O-N 3.2Å; E243-R267 IonicContact OE1-CZ 2.68Å; E243-R267 VanDerWaalsContact OE1-CZ 3.22Å; E243-R267 IonicContact OE1-NE 3.32Å; E243-R267 PolarHBondContact OE1-NE 3.16Å; E243-R267 IonicContact OE1-NH2 3.76Å; E243-R267 PolarHBondContact OE1-NH2 3.33Å; E243-E273 HydrophobicContact CG-CG 4.03Å; E243-R277 PolarHBondContact O-NH1 3.37Å
244	N	96.3	Very high	97.2	Very high	69 Å²	69	21 Å²	21	37%	0.369	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	13.5	-178.1	-73.6	-16.5	0	0	0	114.1	K207 L240 C242 Q246	K207-N244 WeakPolarHBondContact CG-ND2 3.46Å; K207-N244 PolarHBondContact O-ND2 3.43Å; L240-N244 PolarHBondContact O-N 3.08Å; C242-N244 PolarHBondContact O-N 3.24Å; N244-Q246 HydrophobicContact CB-CG 3.97Å; N244-Q246 PolarHBondContact O-N 2.94Å
245	N	96.7	Very high	97.2	Very high	55 Å²	55	22.3 Å²	22.3	29%	0.294	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	34.4	179.5	-161.7	18	0	0	0	114.5	A241 C242 Q247 F279	A241-N245 PolarHBondContact O-N 2.87Å; C242-N245 PolarHBondContact O-N 3.24Å; C242-N245 VanDerWaalsContact O-N 3.14Å; N245-Q247 VanDerWaalsContact C-N 3.28Å; N245-Q247 PolarHBondContact O-N 2.9Å; N245-Q247 PolarHBondContact OD1-NE2 2.91Å; N245-F279 HydrophobicContact CB-CD1 4.17Å; N245-F279 HydrophobicContact CB-CD2 3.82Å; N245-F279 HydrophobicContact CB-CE1 3.98Å; N245-F279 HydrophobicContact CB-CE2 3.6Å; N245-F279 HydrophobicContact CB-CG 4.1Å; N245-F279 HydrophobicContact CB-CZ 3.69Å
246	Q	97.8	Very high	97.1	Very high	49 Å²	49	22.7 Å²	22.7	23%	0.229	11%	0.111	C	C	.	.			trans	-82.1	70.3	-179.3	-59.3	-61.3	-14.4	0	0	111.2	G209 A241 N244 H248 C249 V250	G209-Q246 VanDerWaalsContact CA-CD 3.43Å; A241-Q246 HydrophobicContact CB-CB 4.24Å; A241-Q246 PolarHBondContact O-N 3.24Å; N244-Q246 HydrophobicContact CB-CG 3.97Å; N244-Q246 PolarHBondContact O-N 2.94Å; Q246-H248 VanDerWaalsContact C-N 3.31Å; Q246-H248 PolarHBondContact O-N 3.35Å; Q246-C249 HydrophobicContact CB-CB 3.99Å; Q246-C249 WeakPolarHBondContact O-CB 3.46Å; Q246-C249 PolarHBondContact O-N 3.41Å; Q246-V250 WeakPolarHBondContact O-CG2 3.49Å; Q246-V250 PolarHBondContact O-N 2.89Å
247	Q	96.4	Very high	97	Very high	67 Å²	67	25 Å²	25	31%	0.313	14%	0.135	S	C	.	.	H	α-helix	trans	-53.5	-41.3	-170	-63.8	165.7	16.7	0	0	114	N245 V250 R251 K281 L285	N245-Q247 VanDerWaalsContact C-N 3.28Å; N245-Q247 PolarHBondContact O-N 2.9Å; N245-Q247 PolarHBondContact OD1-NE2 2.91Å; Q247-V250 PolarHBondContact O-N 3.42Å; Q247-R251 PolarHBondContact O-N 3.23Å; Q247-K281 HydrophobicContact CB-CG 4.32Å; Q247-K281 HydrophobicContact CG-CB 4.09Å; Q247-K281 HydrophobicContact CG-CG 4Å; Q247-L285 HydrophobicContact CB-CD1 4.39Å; Q247-L285 WeakPolarHBondContact O-CD1 3.32Å
248	H	95.5	Very high	96.9	Very high	101 Å²	101	25.3 Å²	25.3	47%	0.468	14%	0.137	S	C	.	.	H	α-helix	trans	-69	-39.1	178.5	-68.9	90.4	0	0	0	111.9	I211 Q246 R251 L252	I211-H248 HydrophobicContact CD1-CB 3.49Å; I211-H248 VanDerWaalsContact CD1-CB 3.49Å; I211-H248 HydrophobicContact CG1-CB 3.87Å; Q246-H248 VanDerWaalsContact C-N 3.31Å; Q246-H248 PolarHBondContact O-N 3.35Å; H248-R251 PolarHBondContact O-N 3Å; H248-L252 PolarHBondContact O-N 3.2Å
249	C	97.8	Very high	96.9	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.007	16%	0.155	C	C	.	.	H	α-helix	trans	-66.5	-41.4	174.1	-66.4	0	0	0	0	111.7	L214 A241 Q246 R251 L252 L253	L214-C249 HydrophobicContact CD2-CB 3.68Å; A241-C249 HydrophobicContact CB-CB 4.15Å; Q246-C249 HydrophobicContact CB-CB 3.99Å; Q246-C249 WeakPolarHBondContact O-CB 3.46Å; Q246-C249 PolarHBondContact O-N 3.41Å; C249-R251 VanDerWaalsContact C-N 3.31Å; C249-R251 PolarHBondContact O-N 3.15Å; C249-L252 PolarHBondContact O-N 2.93Å; C249-L253 WeakPolarHBondContact O-CB 3.08Å; C249-L253 VanDerWaalsContact O-CG 3.25Å; C249-L253 WeakPolarHBondContact O-CG 3.25Å; C249-L253 PolarHBondContact O-N 3.49Å
250	V	98.1	Very high	96.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.7	-47.2	173.7	174.7	0	0	0	0	110.3	A241 C242 Q246 Q247 L253 L254 L285	A241-V250 HydrophobicContact CB-CG2 3.67Å; C242-V250 VanDerWaalsContact SG-CG2 3.59Å; Q246-V250 WeakPolarHBondContact O-CG2 3.49Å; Q246-V250 PolarHBondContact O-N 2.89Å; Q247-V250 PolarHBondContact O-N 3.42Å; V250-L253 PolarHBondContact O-N 3.35Å; V250-L254 HydrophobicContact CG1-CD1 3.72Å; V250-L254 HydrophobicContact CG1-CG 4.48Å; V250-L254 WeakPolarHBondContact O-CB 3.34Å; V250-L254 WeakPolarHBondContact O-CD1 3.49Å; V250-L254 VanDerWaalsContact O-CG 3.23Å; V250-L254 WeakPolarHBondContact O-CG 3.46Å; V250-L254 PolarHBondContact O-N 3.08Å; V250-L285 HydrophobicContact CB-CD1 4.42Å; V250-L285 HydrophobicContact CG1-CB 4.25Å; V250-L285 HydrophobicContact CG1-CD1 4.35Å
251	R	96.5	Very high	96.8	Very high	32 Å²	32	30.8 Å²	30.8	12%	0.121	17%	0.168	C	C	.	.	H	α-helix	trans	-58.1	-53.3	176.2	-175.8	-171.5	-62.2	-142.1	4.9	112	Q247 H248 C249 L253 L254 E255 L285 T416	Q247-R251 PolarHBondContact O-N 3.23Å; H248-R251 PolarHBondContact O-N 3Å; C249-R251 VanDerWaalsContact C-N 3.31Å; C249-R251 PolarHBondContact O-N 3.15Å; R251-L253 VanDerWaalsContact C-N 3.33Å; R251-L253 PolarHBondContact O-N 3.37Å; R251-L254 PolarHBondContact O-N 3.26Å; R251-E255 WeakPolarHBondContact CD-OE1 3.39Å; R251-E255 HydrophobicContact CG-CG 4.31Å; R251-E255 VanDerWaalsContact CG-OE1 3.32Å; R251-E255 WeakPolarHBondContact CG-OE1 3.1Å; R251-E255 WeakPolarHBondContact O-CG 3.44Å; R251-E255 PolarHBondContact O-N 3.29Å; R251-L285 HydrophobicContact CB-CD1 4.11Å; R251-L285 HydrophobicContact CB-CD2 3.97Å; R251-L285 HydrophobicContact CG-CD2 4.04Å; R251-T416 VanDerWaalsContact NH1-CG2 3.34Å
252	L	95.9	Very high	96.8	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-61.1	-41.4	-177.5	-76.1	177.3	0	0	0	112.4	I211 L214 Y215 L218 H248 C249 E255 A256 I419 L420	I211-L252 HydrophobicContact CG2-CD1 3.71Å; L214-L252 HydrophobicContact CD2-CB 3.99Å; L214-L252 HydrophobicContact CD2-CD1 4.2Å; L214-L252 HydrophobicContact CG-CD1 4.48Å; Y215-L252 HydrophobicContact CD2-CD2 4.35Å; L218-L252 HydrophobicContact CD1-CB 4.27Å; H248-L252 PolarHBondContact O-N 3.2Å; C249-L252 PolarHBondContact O-N 2.93Å; L252-E255 PolarHBondContact O-N 3.4Å; L252-A256 VanDerWaalsContact O-CB 3.26Å; L252-A256 WeakPolarHBondContact O-CB 3.48Å; L252-A256 PolarHBondContact O-N 3.36Å; L252-I419 HydrophobicContact CD2-CB 4.12Å; L252-I419 HydrophobicContact CD2-CD1 4.2Å; L252-I419 HydrophobicContact CD2-CG2 4.08Å; L252-L420 HydrophobicContact CD2-CD2 4.33Å
253	L	97.9	Very high	96.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-46.6	176.2	-73.6	169.7	0	0	0	111.3	L214 I227 P237 I238 A241 C249 V250 R251 A256 G257 A258	L214-L253 HydrophobicContact CD1-CD2 3.98Å; L214-L253 HydrophobicContact CD1-CG 4.49Å; L214-L253 HydrophobicContact CD2-CG 4.24Å; I227-L253 HydrophobicContact CD1-CD2 4.13Å; I227-L253 WeakPolarHBondContact CD1-O 3.47Å; I227-L253 HydrophobicContact CG1-CD2 3.9Å; P237-L253 HydrophobicContact CB-CD1 4.19Å; P237-L253 HydrophobicContact CB-CD2 4.14Å; I238-L253 HydrophobicContact CB-CD1 3.96Å; I238-L253 HydrophobicContact CG1-CD1 4.44Å; A241-L253 HydrophobicContact CB-CD1 4.17Å; C249-L253 WeakPolarHBondContact O-CB 3.08Å; C249-L253 VanDerWaalsContact O-CG 3.25Å; C249-L253 WeakPolarHBondContact O-CG 3.25Å; C249-L253 PolarHBondContact O-N 3.49Å; V250-L253 PolarHBondContact O-N 3.35Å; R251-L253 VanDerWaalsContact C-N 3.33Å; R251-L253 PolarHBondContact O-N 3.37Å; L253-A256 PolarHBondContact O-N 2.78Å; L253-G257 PolarHBondContact O-N 3.2Å; L253-A258 HydrophobicContact CB-CB 3.88Å; L253-A258 WeakPolarHBondContact O-CB 3.32Å; L253-A258 PolarHBondContact O-N 2.79Å
254	L	97.4	Very high	96.5	Very high	9 Å²	9	34.1 Å²	34.1	5%	0.047	19%	0.185	C	C	.	.	H	α-helix	trans	-65.2	-44.4	178.9	-69.5	167.8	0	0	0	112.1	I238 V250 R251 A256 G257 P260 L285 L286 N289	I238-L254 HydrophobicContact CD1-CD1 4.35Å; I238-L254 HydrophobicContact CD1-CD2 3.51Å; I238-L254 HydrophobicContact CD1-CG 3.73Å; V250-L254 HydrophobicContact CG1-CD1 3.72Å; V250-L254 HydrophobicContact CG1-CG 4.48Å; V250-L254 WeakPolarHBondContact O-CB 3.34Å; V250-L254 WeakPolarHBondContact O-CD1 3.49Å; V250-L254 VanDerWaalsContact O-CG 3.23Å; V250-L254 WeakPolarHBondContact O-CG 3.46Å; V250-L254 PolarHBondContact O-N 3.08Å; R251-L254 PolarHBondContact O-N 3.26Å; L254-A256 PolarHBondContact O-N 3.49Å; L254-G257 PolarHBondContact O-N 3.18Å; L254-P260 HydrophobicContact CD2-CB 3.73Å; L254-L285 HydrophobicContact CD1-CB 4.23Å; L254-L285 WeakPolarHBondContact CD1-O 3.21Å; L254-L286 HydrophobicContact CD1-CD2 4.11Å; L254-L286 HydrophobicContact CD1-CG 4.49Å; L254-L286 HydrophobicContact CD2-CD2 4.23Å; L254-N289 HydrophobicContact CB-CB 3.89Å; L254-N289 HydrophobicContact CD1-CB 4.03Å; L254-N289 HydrophobicContact CD2-CB 4Å; L254-N289 HydrophobicContact CG-CB 4.19Å
255	E	94.9	Very high	96.3	Very high	38 Å²	38	40.7 Å²	40.7	18%	0.178	21%	0.21	C	C	.	.	H	α-helix	trans	-60.3	-32.9	174.6	-72.6	-178.3	-167.7	0	0	112	R251 L252 G257 I419 L420	R251-E255 WeakPolarHBondContact CD-OE1 3.39Å; R251-E255 HydrophobicContact CG-CG 4.31Å; R251-E255 VanDerWaalsContact CG-OE1 3.32Å; R251-E255 WeakPolarHBondContact CG-OE1 3.1Å; R251-E255 WeakPolarHBondContact O-CG 3.44Å; R251-E255 PolarHBondContact O-N 3.29Å; L252-E255 PolarHBondContact O-N 3.4Å; E255-G257 VanDerWaalsContact C-N 3.29Å; E255-G257 PolarHBondContact O-N 3.49Å; E255-I419 PolarHBondContact OE1-N 2.93Å; E255-I419 PolarHBondContact OE2-N 2.73Å; E255-L420 HydrophobicContact CB-CD1 3.71Å; E255-L420 HydrophobicContact CB-CG 4.11Å; E255-L420 PolarHBondContact OE2-N 3.12Å
256	A	95.2	Very high	95.9	Very high	12 Å²	12	43 Å²	43	10%	0.099	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-3.7	176.6	0	0	0	0	0	114.5	L218 K224 I227 L252 L253 L254 L420	L218-A256 HydrophobicContact CD1-CB 3.83Å; L218-A256 HydrophobicContact CD2-CB 3.89Å; L218-A256 HydrophobicContact CG-CB 4.3Å; K224-A256 WeakPolarHBondContact CE-O 3.27Å; I227-A256 HydrophobicContact CD1-CB 3.75Å; L252-A256 VanDerWaalsContact O-CB 3.26Å; L252-A256 WeakPolarHBondContact O-CB 3.48Å; L252-A256 PolarHBondContact O-N 3.36Å; L253-A256 PolarHBondContact O-N 2.78Å; L254-A256 PolarHBondContact O-N 3.49Å; A256-L420 HydrophobicContact CB-CD1 4.22Å
257	G	95.2	Very high	95.7	Very high	50 Å²	50	42.4 Å²	42.4	52%	0.515	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.5	21	176.4	0	0	0	0	0	115.4	L253 L254 E255	L253-G257 PolarHBondContact O-N 3.2Å; L254-G257 PolarHBondContact O-N 3.18Å; E255-G257 VanDerWaalsContact C-N 3.29Å; E255-G257 PolarHBondContact O-N 3.49Å
258	A	97.4	Very high	95.7	Very high	5 Å²	5	40.1 Å²	40.1	4%	0.041	21%	0.212	C	C	.	.			trans	-58.6	139.7	168.8	0	0	0	0	0	109.9	I227 I238 L253 P260	I227-A258 HydrophobicContact CD1-CB 3.83Å; I227-A258 HydrophobicContact CG1-CB 3.89Å; I238-A258 HydrophobicContact CD1-CB 4.34Å; L253-A258 HydrophobicContact CB-CB 3.88Å; L253-A258 WeakPolarHBondContact O-CB 3.32Å; L253-A258 PolarHBondContact O-N 2.79Å; A258-P260 WeakPolarHBondContact O-CD 3.49Å
259	N	97.4	Very high	95.8	Very high	69 Å²	69	35.3 Å²	35.3	37%	0.369	19%	0.19	S	C	.	.			trans	-72.3	113.1	177.2	176.4	11.1	0	0	0	109.2	N228 D261 I262	N228-N259 PolarHBondContact OD1-N 3.16Å; N259-D261 PolarHBondContact O-N 3.13Å; N259-D261 PolarHBondContact OD1-N 3.04Å; N259-I262 HydrophobicContact CB-CB 4.15Å; N259-I262 WeakPolarHBondContact O-CB 3.49Å; N259-I262 WeakPolarHBondContact O-CG2 3.36Å; N259-I262 PolarHBondContact O-N 2.97Å
260	P	96.9	Very high	95.7	Very high	17 Å²	17	35.2 Å²	35.2	11%	0.11	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-25.6	180	28.5	-36.3	0	0	0	113.1	L254 A258 L286 A291	L254-P260 HydrophobicContact CD2-CB 3.73Å; A258-P260 WeakPolarHBondContact O-CD 3.49Å; P260-L286 HydrophobicContact CB-CD2 4.04Å; P260-A291 HydrophobicContact CB-CB 3.85Å; P260-A291 HydrophobicContact CG-CB 4.45Å
261	D	97.4	Very high	95.7	Very high	32 Å²	32	35.2 Å²	35.2	17%	0.171	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	17	-176.6	-75.3	-18.1	0	0	0	111.9	N259 E263 A291 S292	N259-D261 PolarHBondContact O-N 3.13Å; N259-D261 PolarHBondContact OD1-N 3.04Å; D261-E263 PolarHBondContact O-N 3.29Å; D261-A291 WeakPolarHBondContact OD1-CA 3.38Å; D261-S292 PolarHBondContact OD1-N 2.92Å; D261-S292 WeakPolarHBondContact OD2-CB 3.43Å; D261-S292 PolarHBondContact OD2-N 2.98Å; D261-S292 VanDerWaalsContact OD2-N 3.15Å
262	I	96.7	Very high	95.8	Very high	14 Å²	14	33.7 Å²	33.7	7%	0.072	18%	0.184	C	C	.	.			trans	-60.6	132.4	177.6	-170.2	160.8	0	0	0	110.2	N228 L230 I238 N259 C269 P270	N228-I262 HydrophobicContact CB-CD1 3.91Å; L230-I262 HydrophobicContact CD2-CD1 4.09Å; I238-I262 HydrophobicContact CG2-CG2 3.6Å; N259-I262 HydrophobicContact CB-CB 4.15Å; N259-I262 WeakPolarHBondContact O-CB 3.49Å; N259-I262 WeakPolarHBondContact O-CG2 3.36Å; N259-I262 PolarHBondContact O-N 2.97Å; I262-C269 VanDerWaalsContact O-CA 3.23Å; I262-C269 WeakPolarHBondContact O-CA 3.43Å; I262-C269 WeakPolarHBondContact O-CB 3.37Å; I262-P270 HydrophobicContact CG2-CG 3.92Å; I262-P270 WeakPolarHBondContact O-CD 3.37Å
263	E	95.5	Very high	95.8	Very high	74 Å²	74	34 Å²	34	35%	0.346	19%	0.185	S	C	.	.			trans	-150.6	158.1	178.1	66	-179.1	142.8	0	0	109.5	D261 C269 K295 K298	D261-E263 PolarHBondContact O-N 3.29Å; E263-C269 HydrophobicContact CB-CB 4.25Å; E263-K295 IonicContact OE1-NZ 3.7Å; E263-K295 PolarHBondContact OE1-NZ 3.27Å; E263-K298 IonicContact OE2-NZ 3.85Å; E263-K298 PolarHBondContact OE2-NZ 3.35Å
264	T	94	Very high	95.8	Very high	20 Å²	20	34 Å²	34	12%	0.123	19%	0.185	C	C	.	.			trans	-127.9	-177.8	178.3	70.8	0	0	0	0	110.7	L230 G234 T266 R267 K298	L230-T264 HydrophobicContact CD1-CG2 3.49Å; L230-T264 VanDerWaalsContact CD1-CG2 3.49Å; L230-T264 HydrophobicContact CD2-CG2 3.69Å; L230-T264 HydrophobicContact CG-CG2 4.2Å; G234-T264 WeakPolarHBondContact O-CG2 3.3Å; G234-T264 PolarHBondContact O-OG1 3.19Å; T264-T266 PolarHBondContact O-N 2.91Å; T264-T266 PolarHBondContact OG1-N 2.88Å; T264-T266 PolarHBondContact OG1-OG1 2.63Å; T264-R267 PolarHBondContact N-O 3.18Å; T264-R267 VanDerWaalsContact O-O 3.11Å; T264-R267 WeakPolarHBondContact OG1-CB 3.14Å; T264-R267 PolarHBondContact OG1-N 3.04Å; T264-K298 WeakPolarHBondContact O-CE 3.23Å; T264-K298 PolarHBondContact O-NZ 3Å
265	K	90.9	Very high	95.9	Very high	207 Å²	207	33.6 Å²	33.6	90%	0.9	18%	0.183	S	C	*	.	S	Bend	trans	-65.4	-25.3	174.3	-65.3	-176.4	179.1	-178.5	0	112.5
266	T	89.5	Confident	96	Very high	105 Å²	105	35.4 Å²	35.4	64%	0.644	19%	0.188	S	C	*	.	S	Bend	trans	-109.7	-21.2	-174.9	51.3	0	0	0	0	113.2	S233 T264	S233-T266 PolarHBondContact O-OG1 3.09Å; S233-T266 VanDerWaalsContact O-OG1 3.05Å; T264-T266 PolarHBondContact O-N 2.91Å; T264-T266 PolarHBondContact OG1-N 2.88Å; T264-T266 PolarHBondContact OG1-OG1 2.63Å
267	R	93.6	Very high	96	Very high	36 Å²	36	39.8 Å²	39.8	14%	0.136	20%	0.202	C	C	.	.			trans	-118.9	130.7	-177.7	-61.5	-72.7	-69.5	119.8	9.3	111	G234 C235 E243 T264 E273 K298	G234-R267 WeakPolarHBondContact O-CG 3.38Å; C235-R267 PolarHBondContact SG-NE 2.91Å; E243-R267 IonicContact OE1-CZ 2.68Å; E243-R267 VanDerWaalsContact OE1-CZ 3.22Å; E243-R267 IonicContact OE1-NE 3.32Å; E243-R267 PolarHBondContact OE1-NE 3.16Å; E243-R267 IonicContact OE1-NH2 3.76Å; E243-R267 PolarHBondContact OE1-NH2 3.33Å; T264-R267 PolarHBondContact N-O 3.18Å; T264-R267 VanDerWaalsContact O-O 3.11Å; T264-R267 WeakPolarHBondContact OG1-CB 3.14Å; T264-R267 PolarHBondContact OG1-N 3.04Å; R267-E273 IonicContact CZ-OE2 2.74Å; R267-E273 IonicContact NH1-OE2 3.93Å; R267-E273 PolarHBondContact NH1-OE2 3.06Å; R267-E273 IonicContact NH2-OE2 3.82Å; R267-K298 WeakPolarHBondContact O-CE 3.25Å; R267-K298 PolarHBondContact O-NZ 3.02Å; R267-K298 VanDerWaalsContact O-NZ 3.13Å
268	D	96.2	Very high	95.9	Very high	18 Å²	18	38.2 Å²	38.2	10%	0.096	19%	0.186	C	C	.	.			trans	-68	164.3	167.5	-60.1	-35.7	0	0	0	110.6	H239 I272 R276 S297 K298	H239-D268 PolarHBondContact CD2-O 2.6Å; H239-D268 PolarHBondContact NE2-O 3.14Å; D268-I272 HydrophobicContact CB-CB 3.88Å; D268-I272 HydrophobicContact CB-CG2 3.76Å; D268-R276 IonicContact OD2-CZ 2.93Å; D268-R276 IonicContact OD2-NH1 3.22Å; D268-R276 IonicContact OD2-NH2 2.63Å; D268-R276 PolarHBondContact OD2-NH2 3.31Å; D268-S297 VanDerWaalsContact OD1-CA 3.3Å; D268-S297 WeakPolarHBondContact OD1-CA 3.26Å; D268-K298 WeakPolarHBondContact OD1-CE 3.19Å; D268-K298 WeakPolarHBondContact OD1-CG 3.47Å; D268-K298 PolarHBondContact OD1-N 3.38Å
269	C	96.5	Very high	95.8	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.			trans	-64.3	155.1	175.3	73.8	0	0	0	0	112.6	I262 E263 L271 I272 E273	I262-C269 VanDerWaalsContact O-CA 3.23Å; I262-C269 WeakPolarHBondContact O-CA 3.43Å; I262-C269 WeakPolarHBondContact O-CB 3.37Å; E263-C269 HydrophobicContact CB-CB 4.25Å; C269-L271 PolarHBondContact O-N 2.87Å; C269-L271 VanDerWaalsContact O-N 3.07Å; C269-I272 PolarHBondContact O-N 3.07Å; C269-E273 PolarHBondContact O-N 3.47Å
270	P	97.5	Very high	95.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-51.4	-33.8	-179.8	-31	34.3	0	0	0	114.9	I238 C242 I262 E273 C274 L286	I238-P270 HydrophobicContact CG1-CG 4.3Å; I238-P270 HydrophobicContact CG2-CG 3.96Å; C242-P270 HydrophobicContact CB-CB 4.33Å; I262-P270 HydrophobicContact CG2-CG 3.92Å; I262-P270 WeakPolarHBondContact O-CD 3.37Å; P270-E273 PolarHBondContact O-N 3.06Å; P270-C274 WeakPolarHBondContact O-CB 3.44Å; P270-C274 PolarHBondContact O-N 2.6Å; P270-C274 PolarHBondContact O-SG 2.96Å; P270-L286 HydrophobicContact CB-CD1 3.98Å; P270-L286 HydrophobicContact CB-CD2 4Å
271	L	97.9	Very high	95.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.8	-47.2	178.2	-178	61.7	0	0	0	111.7	C269 E273 C274 S275 I283 L286 S292 F324	C269-L271 PolarHBondContact O-N 2.87Å; C269-L271 VanDerWaalsContact O-N 3.07Å; L271-E273 VanDerWaalsContact C-N 3.34Å; L271-E273 PolarHBondContact O-N 2.69Å; L271-C274 PolarHBondContact O-N 3.38Å; L271-S275 PolarHBondContact O-N 3.26Å; L271-S275 PolarHBondContact O-OG 2.96Å; L271-S275 VanDerWaalsContact O-OG 3.11Å; L271-I283 HydrophobicContact CD1-CB 4.35Å; L271-I283 HydrophobicContact CD1-CG1 4.33Å; L271-I283 HydrophobicContact CD1-CG2 3.82Å; L271-L286 HydrophobicContact CB-CD1 4.21Å; L271-L286 HydrophobicContact CD1-CB 4.49Å; L271-L286 HydrophobicContact CD1-CD1 4.37Å; L271-S292 WeakPolarHBondContact CD2-O 3.34Å; L271-F324 HydrophobicContact CD1-CZ 4.21Å; L271-F324 HydrophobicContact CD2-CE1 3.99Å; L271-F324 HydrophobicContact CD2-CZ 3.98Å
272	I	97.9	Very high	95.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.3	-42	177.9	-64.8	-61.4	0	0	0	110.9	D268 C269 C274 S275 R276 A303 V306	D268-I272 HydrophobicContact CB-CB 3.88Å; D268-I272 HydrophobicContact CB-CG2 3.76Å; C269-I272 PolarHBondContact O-N 3.07Å; I272-C274 PolarHBondContact O-N 3.18Å; I272-S275 PolarHBondContact O-N 2.99Å; I272-R276 PolarHBondContact O-N 3.04Å; I272-A303 HydrophobicContact CD1-CB 4.33Å; I272-V306 HydrophobicContact CG2-CG2 4.02Å
273	E	96.6	Very high	95.5	Very high	9 Å²	9	36.6 Å²	36.6	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-62.1	-42.8	176.1	-175	65.5	-145.3	0	0	112	E243 R267 C269 P270 L271 R276 R277	E243-E273 HydrophobicContact CG-CG 4.03Å; R267-E273 IonicContact CZ-OE2 2.74Å; R267-E273 IonicContact NH1-OE2 3.93Å; R267-E273 PolarHBondContact NH1-OE2 3.06Å; R267-E273 IonicContact NH2-OE2 3.82Å; C269-E273 PolarHBondContact O-N 3.47Å; P270-E273 PolarHBondContact O-N 3.06Å; L271-E273 VanDerWaalsContact C-N 3.34Å; L271-E273 PolarHBondContact O-N 2.69Å; E273-R276 WeakPolarHBondContact O-CB 3.42Å; E273-R276 PolarHBondContact O-N 3.21Å; E273-R276 IonicContact OE2-NH1 3.04Å; E273-R276 PolarHBondContact OE2-NH1 2.91Å; E273-R277 PolarHBondContact O-N 2.94Å; E273-R277 IonicContact OE1-CZ 3.46Å; E273-R277 IonicContact OE1-NE 3.65Å; E273-R277 PolarHBondContact OE1-NE 2.98Å; E273-R277 IonicContact OE1-NH2 3.47Å; E273-R277 PolarHBondContact OE1-NH2 3.16Å
274	C	98.1	Very high	95.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-67.6	-37.9	178.2	-66.1	0	0	0	0	112	C242 P270 L271 I272 R276 R277 G278 F279 C282 I283	C242-C274 VanDerWaalsContact CB-SG 3.54Å; P270-C274 WeakPolarHBondContact O-CB 3.44Å; P270-C274 PolarHBondContact O-N 2.6Å; P270-C274 PolarHBondContact O-SG 2.96Å; L271-C274 PolarHBondContact O-N 3.38Å; I272-C274 PolarHBondContact O-N 3.18Å; C274-R276 VanDerWaalsContact C-N 3.34Å; C274-R277 PolarHBondContact O-N 3.28Å; C274-G278 PolarHBondContact O-N 3.24Å; C274-F279 HydrophobicContact CB-CB 4.24Å; C274-F279 PolarHBondContact O-N 2.76Å; C274-C282 HydrophobicContact CB-CB 4.25Å; C274-C282 WeakPolarHBondContact SG-CB 3.49Å; C274-I283 HydrophobicContact CB-CD1 4.41Å; C274-I283 HydrophobicContact CB-CG1 3.63Å
275	S	97.7	Very high	95.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.6	-37.2	175	-64.9	0	0	0	0	112.5	L271 I272 R277 G278 A303	L271-S275 PolarHBondContact O-N 3.26Å; L271-S275 PolarHBondContact O-OG 2.96Å; L271-S275 VanDerWaalsContact O-OG 3.11Å; I272-S275 PolarHBondContact O-N 2.99Å; S275-R277 VanDerWaalsContact C-N 3.26Å; S275-R277 PolarHBondContact O-N 3.48Å; S275-G278 PolarHBondContact O-N 3.38Å; S275-A303 WeakPolarHBondContact OG-CB 3.29Å
276	R	97.2	Very high	95.8	Very high	76 Å²	76	22.7 Å²	22.7	29%	0.287	11%	0.109	S	C	.	.	H	α-helix	trans	-61.4	-33.5	174.1	-168	177.6	-67.2	113	1.8	113.3	D268 I272 E273 C274 V306 L312	D268-R276 IonicContact OD2-CZ 2.93Å; D268-R276 IonicContact OD2-NH1 3.22Å; D268-R276 IonicContact OD2-NH2 2.63Å; D268-R276 PolarHBondContact OD2-NH2 3.31Å; I272-R276 PolarHBondContact O-N 3.04Å; E273-R276 WeakPolarHBondContact O-CB 3.42Å; E273-R276 PolarHBondContact O-N 3.21Å; E273-R276 IonicContact OE2-NH1 3.04Å; E273-R276 PolarHBondContact OE2-NH1 2.91Å; C274-R276 VanDerWaalsContact C-N 3.34Å; R276-V306 HydrophobicContact CB-CG1 3.56Å; R276-V306 HydrophobicContact CG-CG1 3.89Å; R276-L312 WeakPolarHBondContact O-CD1 3.21Å
277	R	95	Very high	96.1	Very high	103 Å²	103	18.9 Å²	18.9	39%	0.389	8%	0.084	S	C	.	.	H	α-helix	trans	-99.4	-5.5	-176.9	-62.6	-176.2	-179.3	-111.2	-1	114	E243 E273 C274 S275 F279	E243-R277 PolarHBondContact O-NH1 3.37Å; E273-R277 PolarHBondContact O-N 2.94Å; E273-R277 IonicContact OE1-CZ 3.46Å; E273-R277 IonicContact OE1-NE 3.65Å; E273-R277 PolarHBondContact OE1-NE 2.98Å; E273-R277 IonicContact OE1-NH2 3.47Å; E273-R277 PolarHBondContact OE1-NH2 3.16Å; C274-R277 PolarHBondContact O-N 3.28Å; S275-R277 VanDerWaalsContact C-N 3.26Å; S275-R277 PolarHBondContact O-N 3.48Å; R277-F279 HydrophobicContact CB-CD1 3.96Å; R277-F279 HydrophobicContact CB-CD2 3.8Å; R277-F279 HydrophobicContact CB-CE1 3.79Å; R277-F279 HydrophobicContact CB-CE2 3.63Å; R277-F279 HydrophobicContact CB-CG 3.97Å; R277-F279 HydrophobicContact CB-CZ 3.63Å; R277-F279 HydrophobicContact CG-CE2 4.09Å; R277-F279 HydrophobicContact CG-CZ 4.22Å
278	G	94	Very high	96.1	Very high	18 Å²	18	21.4 Å²	21.4	19%	0.186	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	29.8	-175.5	0	0	0	0	0	114.2	C274 S275 H280 T315	C274-G278 PolarHBondContact O-N 3.24Å; S275-G278 PolarHBondContact O-N 3.38Å; G278-H280 VanDerWaalsContact C-N 3.31Å; G278-H280 PolarHBondContact O-CD2 3.4Å; G278-H280 PolarHBondContact O-N 3.14Å; G278-T315 VanDerWaalsContact CA-OG1 3.3Å; G278-T315 WeakPolarHBondContact CA-OG1 3.45Å
279	F	96.2	Very high	96.1	Very high	41 Å²	41	23 Å²	23	18%	0.18	11%	0.106	C	C	.	.			trans	-82.6	72.8	-179.9	-62.7	-20.5	0	0	0	111.8	C242 N245 C274 R277 K281 C282 I283	C242-F279 VanDerWaalsContact O-CD2 3.26Å; C242-F279 WeakPolarHBondContact O-CD2 3.45Å; C242-F279 VanDerWaalsContact O-CE2 3.29Å; C242-F279 WeakPolarHBondContact O-CE2 3.38Å; N245-F279 HydrophobicContact CB-CD1 4.17Å; N245-F279 HydrophobicContact CB-CD2 3.82Å; N245-F279 HydrophobicContact CB-CE1 3.98Å; N245-F279 HydrophobicContact CB-CE2 3.6Å; N245-F279 HydrophobicContact CB-CG 4.1Å; N245-F279 HydrophobicContact CB-CZ 3.69Å; C274-F279 HydrophobicContact CB-CB 4.24Å; C274-F279 PolarHBondContact O-N 2.76Å; R277-F279 HydrophobicContact CB-CD1 3.96Å; R277-F279 HydrophobicContact CB-CD2 3.8Å; R277-F279 HydrophobicContact CB-CE1 3.79Å; R277-F279 HydrophobicContact CB-CE2 3.63Å; R277-F279 HydrophobicContact CB-CG 3.97Å; R277-F279 HydrophobicContact CB-CZ 3.63Å; R277-F279 HydrophobicContact CG-CE2 4.09Å; R277-F279 HydrophobicContact CG-CZ 4.22Å; F279-K281 VanDerWaalsContact C-N 3.29Å; F279-K281 PolarHBondContact O-N 3.23Å; F279-C282 HydrophobicContact CB-CB 4.14Å; F279-C282 WeakPolarHBondContact O-CB 3.46Å; F279-C282 PolarHBondContact O-N 3.29Å; F279-I283 WeakPolarHBondContact O-CG1 3.3Å; F279-I283 PolarHBondContact O-N 2.87Å; F279-I283 VanDerWaalsContact O-N 3.07Å
280	H	94.4	Very high	96	Very high	41 Å²	41	31.9 Å²	31.9	19%	0.19	15%	0.145	C	C	.	.	H	α-helix	trans	-51.5	-42.7	-174.2	-56.6	149.5	0	0	0	113.6	G278 C282 I283 D284 T315 F318 Y675	G278-H280 VanDerWaalsContact C-N 3.31Å; G278-H280 PolarHBondContact O-CD2 3.4Å; G278-H280 PolarHBondContact O-N 3.14Å; H280-C282 PolarHBondContact O-N 3.01Å; H280-I283 WeakPolarHBondContact O-CB 3.41Å; H280-I283 PolarHBondContact O-N 2.92Å; H280-D284 PolarHBondContact O-N 3.32Å; H280-T315 WeakPolarHBondContact NE2-CA 3.5Å; H280-T315 PolarHBondContact NE2-OG1 3.07Å; H280-F318 HydrophobicContact CB-CD1 4.08Å; H280-F318 HydrophobicContact CB-CD2 4.06Å; H280-F318 HydrophobicContact CB-CE1 3.86Å; H280-F318 HydrophobicContact CB-CE2 3.83Å; H280-F318 HydrophobicContact CB-CG 4.16Å; H280-F318 HydrophobicContact CB-CZ 3.7Å; H280-F318 AromaticContact CD2-CD1 3.75Å; H280-F318 AromaticContact CD2-CG 3.84Å; H280-F318 AromaticContact CG-CG 3.92Å; H280-F318 VanDerWaalsContact O-CZ 3.28Å; H280-F318 WeakPolarHBondContact O-CZ 3.45Å; H280-Y675 PolarHBondContact CE1-OH 3.48Å; H280-Y675 VanDerWaalsContact CE1-OH 3.27Å; H280-Y675 AromaticContact ND1-CZ 3.86Å; H280-Y675 PolarHBondContact ND1-OH 3.26Å
281	K	93.8	Very high	95.9	Very high	21 Å²	21	32.2 Å²	32.2	9%	0.091	15%	0.148	C	C	.	.	H	α-helix	trans	-66.9	-36.2	-179.5	-174.4	58.4	-172.9	161.4	0	113.1	Q247 F279 L285 Y414	Q247-K281 HydrophobicContact CB-CG 4.32Å; Q247-K281 HydrophobicContact CG-CB 4.09Å; Q247-K281 HydrophobicContact CG-CG 4Å; F279-K281 VanDerWaalsContact C-N 3.29Å; F279-K281 PolarHBondContact O-N 3.23Å; K281-L285 VanDerWaalsContact O-CG 3.31Å; K281-L285 WeakPolarHBondContact O-CG 3.41Å; K281-L285 PolarHBondContact O-N 2.99Å; K281-L285 VanDerWaalsContact O-N 3.11Å; K281-Y414 HydrophobicContact CD-CD2 4.03Å; K281-Y414 HydrophobicContact CD-CE2 3.64Å
282	C	96.1	Very high	95.9	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-68.9	-39	174.3	-68.7	0	0	0	0	111.4	C274 F279 H280 D284 L285 L286	C274-C282 HydrophobicContact CB-CB 4.25Å; C274-C282 WeakPolarHBondContact SG-CB 3.49Å; F279-C282 HydrophobicContact CB-CB 4.14Å; F279-C282 WeakPolarHBondContact O-CB 3.46Å; F279-C282 PolarHBondContact O-N 3.29Å; H280-C282 PolarHBondContact O-N 3.01Å; C282-D284 PolarHBondContact O-N 3.44Å; C282-L285 PolarHBondContact O-N 3.43Å; C282-L286 WeakPolarHBondContact O-CB 3.46Å; C282-L286 VanDerWaalsContact O-CG 3.28Å; C282-L286 WeakPolarHBondContact O-CG 3.04Å; C282-L286 PolarHBondContact O-N 3.28Å
283	I	96.1	Very high	95.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.9	-47.4	174.5	-64.4	169.2	0	0	0	110.4	L271 C274 F279 H280 L285 L286 I287 T315 F318 L319	L271-I283 HydrophobicContact CD1-CB 4.35Å; L271-I283 HydrophobicContact CD1-CG1 4.33Å; L271-I283 HydrophobicContact CD1-CG2 3.82Å; C274-I283 HydrophobicContact CB-CD1 4.41Å; C274-I283 HydrophobicContact CB-CG1 3.63Å; F279-I283 WeakPolarHBondContact O-CG1 3.3Å; F279-I283 PolarHBondContact O-N 2.87Å; F279-I283 VanDerWaalsContact O-N 3.07Å; H280-I283 WeakPolarHBondContact O-CB 3.41Å; H280-I283 PolarHBondContact O-N 2.92Å; I283-L285 PolarHBondContact O-N 3.43Å; I283-L286 PolarHBondContact O-N 3.04Å; I283-I287 HydrophobicContact CG2-CD1 3.58Å; I283-I287 HydrophobicContact CG2-CG1 4.42Å; I283-I287 WeakPolarHBondContact O-CD1 3.23Å; I283-I287 VanDerWaalsContact O-CG1 3.27Å; I283-I287 WeakPolarHBondContact O-CG1 3.47Å; I283-I287 PolarHBondContact O-N 3.1Å; I283-T315 HydrophobicContact CD1-CG2 4.42Å; I283-F318 HydrophobicContact CB-CE1 3.89Å; I283-F318 HydrophobicContact CD1-CD1 4.45Å; I283-F318 HydrophobicContact CD1-CE1 4.33Å; I283-F318 HydrophobicContact CG2-CD1 4.47Å; I283-F318 HydrophobicContact CG2-CE1 3.72Å; I283-L319 HydrophobicContact CD1-CD2 4.25Å; I283-L319 HydrophobicContact CG2-CD2 3.96Å
284	D	95.1	Very high	95.7	Very high	6 Å²	6	47 Å²	47	3%	0.032	22%	0.216	C	C	.	.	H	α-helix	trans	-58.2	-49.1	175.8	-89.2	-11.3	0	0	0	111.9	H280 C282 L286 I287 E288 F318 R322	H280-D284 PolarHBondContact O-N 3.32Å; C282-D284 PolarHBondContact O-N 3.44Å; D284-L286 VanDerWaalsContact C-N 3.29Å; D284-L286 PolarHBondContact O-N 3.23Å; D284-I287 PolarHBondContact O-N 3.42Å; D284-E288 VanDerWaalsContact O-CB 3.32Å; D284-E288 WeakPolarHBondContact O-CB 3.47Å; D284-E288 WeakPolarHBondContact O-CG 3.39Å; D284-E288 PolarHBondContact O-N 3.2Å; D284-F318 VanDerWaalsContact OD1-CZ 3.22Å; D284-F318 WeakPolarHBondContact OD1-CZ 3.28Å; D284-R322 IonicContact OD1-CZ 2.66Å; D284-R322 IonicContact OD1-NE 3.31Å; D284-R322 PolarHBondContact OD1-NE 3.38Å; D284-R322 IonicContact OD1-NH2 3.42Å; D284-R322 PolarHBondContact OD1-NH2 3.24Å; D284-R322 IonicContact OD2-CZ 3.02Å; D284-R322 IonicContact OD2-NE 3.99Å; D284-R322 IonicContact OD2-NH2 3.23Å; D284-R322 PolarHBondContact OD2-NH2 2.63Å
285	L	95.8	Very high	95.6	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-58.7	-40.7	179.1	-72.3	169.3	0	0	0	112.1	Q247 V250 R251 L254 K281 C282 I283 N289	Q247-L285 HydrophobicContact CB-CD1 4.39Å; Q247-L285 WeakPolarHBondContact O-CD1 3.32Å; V250-L285 HydrophobicContact CB-CD1 4.42Å; V250-L285 HydrophobicContact CG1-CB 4.25Å; V250-L285 HydrophobicContact CG1-CD1 4.35Å; R251-L285 HydrophobicContact CB-CD1 4.11Å; R251-L285 HydrophobicContact CB-CD2 3.97Å; R251-L285 HydrophobicContact CG-CD2 4.04Å; L254-L285 HydrophobicContact CD1-CB 4.23Å; L254-L285 WeakPolarHBondContact CD1-O 3.21Å; K281-L285 VanDerWaalsContact O-CG 3.31Å; K281-L285 WeakPolarHBondContact O-CG 3.41Å; K281-L285 PolarHBondContact O-N 2.99Å; K281-L285 VanDerWaalsContact O-N 3.11Å; C282-L285 PolarHBondContact O-N 3.43Å; I283-L285 PolarHBondContact O-N 3.43Å; L285-N289 WeakPolarHBondContact O-CB 3.31Å; L285-N289 PolarHBondContact O-N 3.23Å; L285-N289 VanDerWaalsContact O-N 3.16Å; L285-N289 PolarHBondContact O-ND2 3.35Å
286	L	97.6	Very high	95.5	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.5	-48.6	177.3	-73.7	165.2	0	0	0	111.3	I238 L254 P260 P270 L271 C282 I283 D284 E288 N289 K290 A291	I238-L286 HydrophobicContact CD1-CD2 4.02Å; L254-L286 HydrophobicContact CD1-CD2 4.11Å; L254-L286 HydrophobicContact CD1-CG 4.49Å; L254-L286 HydrophobicContact CD2-CD2 4.23Å; P260-L286 HydrophobicContact CB-CD2 4.04Å; P270-L286 HydrophobicContact CB-CD1 3.98Å; P270-L286 HydrophobicContact CB-CD2 4Å; L271-L286 HydrophobicContact CB-CD1 4.21Å; L271-L286 HydrophobicContact CD1-CB 4.49Å; L271-L286 HydrophobicContact CD1-CD1 4.37Å; C282-L286 WeakPolarHBondContact O-CB 3.46Å; C282-L286 VanDerWaalsContact O-CG 3.28Å; C282-L286 WeakPolarHBondContact O-CG 3.04Å; C282-L286 PolarHBondContact O-N 3.28Å; I283-L286 PolarHBondContact O-N 3.04Å; D284-L286 VanDerWaalsContact C-N 3.29Å; D284-L286 PolarHBondContact O-N 3.23Å; L286-E288 PolarHBondContact O-N 2.92Å; L286-N289 CarbonylContact O-C 3.59Å; L286-N289 VanDerWaalsContact O-C 3.32Å; L286-N289 PolarHBondContact O-N 3.46Å; L286-N289 VanDerWaalsContact O-N 3.13Å; L286-K290 PolarHBondContact O-N 2.91Å; L286-A291 VanDerWaalsContact C-CB 3.44Å; L286-A291 HydrophobicContact CB-CB 3.81Å; L286-A291 WeakPolarHBondContact O-CB 3.3Å; L286-A291 PolarHBondContact O-N 3.01Å
287	I	95.3	Very high	95.4	Very high	26 Å²	26	48.9 Å²	48.9	13%	0.133	23%	0.232	C	C	.	.	H	α-helix	trans	-64.3	-42.6	179.8	-64.6	162.6	0	0	0	111.2	I283 D284 N289 K290 R322 F324	I283-I287 HydrophobicContact CG2-CD1 3.58Å; I283-I287 HydrophobicContact CG2-CG1 4.42Å; I283-I287 WeakPolarHBondContact O-CD1 3.23Å; I283-I287 VanDerWaalsContact O-CG1 3.27Å; I283-I287 WeakPolarHBondContact O-CG1 3.47Å; I283-I287 PolarHBondContact O-N 3.1Å; D284-I287 PolarHBondContact O-N 3.42Å; I287-N289 PolarHBondContact O-N 2.96Å; I287-K290 PolarHBondContact O-N 3.19Å; I287-R322 HydrophobicContact CD1-CB 4.18Å; I287-R322 HydrophobicContact CD1-CG 4.38Å; I287-F324 HydrophobicContact CD1-CE2 3.51Å; I287-F324 HydrophobicContact CD1-CZ 3.83Å; I287-F324 HydrophobicContact CG1-CE2 4.36Å; I287-F324 HydrophobicContact CG1-CZ 4.29Å
288	E	93.9	Very high	95.3	Very high	89 Å²	89	47.8 Å²	47.8	42%	0.416	23%	0.23	S	C	.	.	H	α-helix	trans	-58.6	-31.1	175.4	-75.3	171.4	-169.1	0	0	111.8	D284 L286 K290	D284-E288 VanDerWaalsContact O-CB 3.32Å; D284-E288 WeakPolarHBondContact O-CB 3.47Å; D284-E288 WeakPolarHBondContact O-CG 3.39Å; D284-E288 PolarHBondContact O-N 3.2Å; L286-E288 PolarHBondContact O-N 2.92Å; E288-K290 VanDerWaalsContact C-N 3.35Å
289	N	95.5	Very high	95.2	Very high	51 Å²	51	50.5 Å²	50.5	27%	0.273	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	29.1	176.2	-70.4	-83.1	0	0	0	113.3	L254 L285 L286 I287 A291	L254-N289 HydrophobicContact CB-CB 3.89Å; L254-N289 HydrophobicContact CD1-CB 4.03Å; L254-N289 HydrophobicContact CD2-CB 4Å; L254-N289 HydrophobicContact CG-CB 4.19Å; L285-N289 WeakPolarHBondContact O-CB 3.31Å; L285-N289 PolarHBondContact O-N 3.23Å; L285-N289 VanDerWaalsContact O-N 3.16Å; L285-N289 PolarHBondContact O-ND2 3.35Å; L286-N289 CarbonylContact O-C 3.59Å; L286-N289 VanDerWaalsContact O-C 3.32Å; L286-N289 PolarHBondContact O-N 3.46Å; L286-N289 VanDerWaalsContact O-N 3.13Å; I287-N289 PolarHBondContact O-N 2.96Å; N289-A291 PolarHBondContact O-N 2.82Å
290	K	93.8	Very high	95.2	Very high	187 Å²	187	48.9 Å²	48.9	81%	0.813	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.5	26.9	172.2	-49.5	178.3	-180	178.4	0	115.3	L286 I287 E288 S292	L286-K290 PolarHBondContact O-N 2.91Å; I287-K290 PolarHBondContact O-N 3.19Å; E288-K290 VanDerWaalsContact C-N 3.35Å; K290-S292 PolarHBondContact O-N 3.32Å
291	A	96.4	Very high	95.3	Very high	7 Å²	7	47.8 Å²	47.8	6%	0.058	23%	0.233	C	C	.	.			trans	-56.3	133.8	164.1	0	0	0	0	0	110.1	P260 D261 L286 N289 R293	P260-A291 HydrophobicContact CB-CB 3.85Å; P260-A291 HydrophobicContact CG-CB 4.45Å; D261-A291 WeakPolarHBondContact OD1-CA 3.38Å; L286-A291 VanDerWaalsContact C-CB 3.44Å; L286-A291 HydrophobicContact CB-CB 3.81Å; L286-A291 WeakPolarHBondContact O-CB 3.3Å; L286-A291 PolarHBondContact O-N 3.01Å; N289-A291 PolarHBondContact O-N 2.82Å; A291-R293 PolarHBondContact O-N 3.45Å
292	S	96.6	Very high	95.5	Very high	38 Å²	38	47.3 Å²	47.3	27%	0.266	23%	0.232	S	C	.	.			trans	-74.1	126.2	178.2	174.9	0	0	0	0	110.7	D261 L271 K290 E294 K295	D261-S292 PolarHBondContact OD1-N 2.92Å; D261-S292 WeakPolarHBondContact OD2-CB 3.43Å; D261-S292 PolarHBondContact OD2-N 2.98Å; D261-S292 VanDerWaalsContact OD2-N 3.15Å; L271-S292 WeakPolarHBondContact CD2-O 3.34Å; K290-S292 PolarHBondContact O-N 3.32Å; S292-E294 PolarHBondContact O-N 3.43Å; S292-E294 PolarHBondContact OG-N 3.37Å; S292-K295 PolarHBondContact O-N 2.92Å
293	R	95.2	Very high	95.6	Very high	113 Å²	113	47.4 Å²	47.4	43%	0.426	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-16.4	175	-61.8	-175.9	179.6	86.5	3.4	113	A291 K295 R322 F324	A291-R293 PolarHBondContact O-N 3.45Å; R293-K295 VanDerWaalsContact C-N 3.35Å; R293-R322 PolarHBondContact NE-O 2.98Å; R293-F324 HydrophobicContact CB-CD1 4.09Å; R293-F324 HydrophobicContact CB-CE1 3.84Å; R293-F324 HydrophobicContact CB-CZ 4.16Å; R293-F324 HydrophobicContact CG-CD1 4.5Å; R293-F324 HydrophobicContact CG-CD2 4.48Å; R293-F324 HydrophobicContact CG-CE1 4.06Å; R293-F324 HydrophobicContact CG-CE2 4.07Å; R293-F324 HydrophobicContact CG-CZ 3.85Å
294	E	95.2	Very high	95.7	Very high	168 Å²	168	47.4 Å²	47.4	79%	0.785	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-4.5	-176.8	-60.4	174	-177.8	0	0	112.3	S292	S292-E294 PolarHBondContact O-N 3.43Å; S292-E294 PolarHBondContact OG-N 3.37Å
295	K	96	Very high	95.8	Very high	56 Å²	56	47.1 Å²	47.1	24%	0.243	23%	0.231	C	C	.	.			trans	-62.9	144.7	175.2	-76	-64.4	-165.1	174.7	0	111.2	E263 S292 R293	E263-K295 IonicContact OE1-NZ 3.7Å; E263-K295 PolarHBondContact OE1-NZ 3.27Å; S292-K295 PolarHBondContact O-N 2.92Å; R293-K295 VanDerWaalsContact C-N 3.35Å
296	T	96.4	Very high	95.9	Very high	49 Å²	49	47.1 Å²	47.1	30%	0.301	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-125.9	161.8	-176.5	53.1	0	0	0	0	111.3	G300 D301 T302	T296-G300 VanDerWaalsContact CG2-O 3.27Å; T296-G300 WeakPolarHBondContact CG2-O 3.41Å; T296-D301 CarbonylContact C-O 3.51Å; T296-D301 VanDerWaalsContact CA-O 3.23Å; T296-D301 WeakPolarHBondContact CA-O 3.5Å; T296-T302 HydrophobicContact CG2-CG2 3.94Å
297	S	95.9	Very high	95.9	Very high	10 Å²	10	47.1 Å²	47.1	7%	0.07	23%	0.231	C	C	.	.			trans	-66.4	174	165.7	82.2	0	0	0	0	110.9	D268 V299 G300 D301	D268-S297 VanDerWaalsContact OD1-CA 3.3Å; D268-S297 WeakPolarHBondContact OD1-CA 3.26Å; S297-V299 PolarHBondContact O-N 3.33Å; S297-V299 VanDerWaalsContact O-N 3.13Å; S297-V299 PolarHBondContact OG-N 3.15Å; S297-V299 VanDerWaalsContact OG-N 3.15Å; S297-G300 PolarHBondContact O-N 3.15Å; S297-D301 PolarHBondContact N-O 2.97Å; S297-D301 WeakPolarHBondContact OG-CB 3.17Å; S297-D301 PolarHBondContact OG-N 3.24Å; S297-D301 VanDerWaalsContact OG-N 3.15Å
298	K	92.1	Very high	96.1	Very high	81 Å²	81	45.9 Å²	45.9	35%	0.352	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-12.9	173.7	-51.2	-47.5	162.3	-174.8	0	115.6	E263 T264 R267 D268	E263-K298 IonicContact OE2-NZ 3.85Å; E263-K298 PolarHBondContact OE2-NZ 3.35Å; T264-K298 WeakPolarHBondContact O-CE 3.23Å; T264-K298 PolarHBondContact O-NZ 3Å; R267-K298 WeakPolarHBondContact O-CE 3.25Å; R267-K298 PolarHBondContact O-NZ 3.02Å; R267-K298 VanDerWaalsContact O-NZ 3.13Å; D268-K298 WeakPolarHBondContact OD1-CE 3.19Å; D268-K298 WeakPolarHBondContact OD1-CG 3.47Å; D268-K298 PolarHBondContact OD1-N 3.38Å
299	V	91.7	Very high	96.2	Very high	74 Å²	74	43.8 Å²	43.8	45%	0.448	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	4.5	174.3	-170.2	0	0	0	0	110.9	S297	S297-V299 PolarHBondContact O-N 3.33Å; S297-V299 VanDerWaalsContact O-N 3.13Å; S297-V299 PolarHBondContact OG-N 3.15Å; S297-V299 VanDerWaalsContact OG-N 3.15Å
300	G	95.4	Very high	96.3	Very high	8 Å²	8	43.5 Å²	43.5	8%	0.082	22%	0.218	C	C	.	.	S	Bend	trans	84	9	-176.7	0	0	0	0	0	114.5	T296 S297 T302 N330	T296-G300 VanDerWaalsContact CG2-O 3.27Å; T296-G300 WeakPolarHBondContact CG2-O 3.41Å; S297-G300 PolarHBondContact O-N 3.15Å; G300-T302 PolarHBondContact O-N 2.94Å; G300-N330 WeakPolarHBondContact O-CA 3.38Å; G300-N330 WeakPolarHBondContact O-CB 3.25Å
301	D	97.6	Very high	96.3	Very high	17 Å²	17	36.5 Å²	36.5	9%	0.091	19%	0.189	C	C	.	.			trans	-75.4	123.2	-179.8	-63.8	-38.3	0	0	0	111.3	T296 S297 H305 V306 N330 L339	T296-D301 CarbonylContact C-O 3.51Å; T296-D301 VanDerWaalsContact CA-O 3.23Å; T296-D301 WeakPolarHBondContact CA-O 3.5Å; S297-D301 PolarHBondContact N-O 2.97Å; S297-D301 WeakPolarHBondContact OG-CB 3.17Å; S297-D301 PolarHBondContact OG-N 3.24Å; S297-D301 VanDerWaalsContact OG-N 3.15Å; D301-H305 HydrophobicContact CB-CB 3.59Å; D301-V306 HydrophobicContact CB-CG2 3.78Å; D301-N330 PolarHBondContact OD1-ND2 3.38Å; D301-L339 WeakPolarHBondContact OD1-CD1 3.31Å
302	T	97.8	Very high	96.2	Very high	12 Å²	12	38.6 Å²	38.6	7%	0.074	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-69.5	171.6	171.2	73.3	0	0	0	0	111.8	T296 G300 L304 H305 V306 A328	T296-T302 HydrophobicContact CG2-CG2 3.94Å; G300-T302 PolarHBondContact O-N 2.94Å; T302-L304 PolarHBondContact O-N 3.37Å; T302-L304 PolarHBondContact OG1-N 3.39Å; T302-H305 PolarHBondContact N-ND1 3.17Å; T302-H305 WeakPolarHBondContact O-CB 3.47Å; T302-H305 PolarHBondContact O-N 3.09Å; T302-H305 PolarHBondContact OG1-ND1 3.34Å; T302-V306 PolarHBondContact O-N 3.32Å; T302-A328 HydrophobicContact CG2-CB 3.79Å
303	A	98	Very high	95.9	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-50.8	-39.9	174.4	0	0	0	0	0	113.6	I272 S275 V306 A307 L319 F324	I272-A303 HydrophobicContact CD1-CB 4.33Å; S275-A303 WeakPolarHBondContact OG-CB 3.29Å; A303-V306 PolarHBondContact O-N 3.29Å; A303-A307 WeakPolarHBondContact O-CB 3.38Å; A303-A307 PolarHBondContact O-N 3.18Å; A303-L319 HydrophobicContact CB-CD1 4.02Å; A303-L319 HydrophobicContact CB-CD2 4.17Å; A303-F324 HydrophobicContact CB-CD1 3.82Å; A303-F324 HydrophobicContact CB-CE1 3.6Å; A303-F324 HydrophobicContact CB-CZ 4.47Å
304	L	98	Very high	95.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-70.8	-37.6	177.5	-84.7	170.5	0	0	0	112.6	T302 V306 A307 A308 I316 L319 F324 D325 L326 P336	T302-L304 PolarHBondContact O-N 3.37Å; T302-L304 PolarHBondContact OG1-N 3.39Å; L304-V306 VanDerWaalsContact C-N 3.33Å; L304-V306 PolarHBondContact O-N 3.1Å; L304-A307 PolarHBondContact O-N 3.34Å; L304-A308 VanDerWaalsContact O-CB 3.23Å; L304-A308 WeakPolarHBondContact O-CB 3.4Å; L304-A308 PolarHBondContact O-N 3.41Å; L304-I316 HydrophobicContact CD2-CB 4.43Å; L304-I316 HydrophobicContact CD2-CG1 4.44Å; L304-I316 HydrophobicContact CD2-CG2 4.17Å; L304-L319 HydrophobicContact CD2-CB 3.69Å; L304-L319 HydrophobicContact CD2-CD1 4.06Å; L304-L319 HydrophobicContact CG-CB 4.04Å; L304-L319 HydrophobicContact CG-CD1 4.23Å; L304-F324 HydrophobicContact CD1-CB 3.66Å; L304-F324 HydrophobicContact CG-CB 4.03Å; L304-D325 WeakPolarHBondContact CD1-O 3.49Å; L304-L326 HydrophobicContact CD1-CD1 4.3Å; L304-P336 HydrophobicContact CB-CB 4.23Å; L304-P336 HydrophobicContact CB-CG 3.74Å
305	H	98.4	Very high	95.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.8	-45.7	173.4	-71.5	91.3	0	0	0	110.9	D301 T302 A308 L309 A328 Q334 T335 P336 L339	D301-H305 HydrophobicContact CB-CB 3.59Å; T302-H305 PolarHBondContact N-ND1 3.17Å; T302-H305 WeakPolarHBondContact O-CB 3.47Å; T302-H305 PolarHBondContact O-N 3.09Å; T302-H305 PolarHBondContact OG1-ND1 3.34Å; H305-A308 WeakPolarHBondContact O-CB 3.39Å; H305-A308 PolarHBondContact O-N 2.97Å; H305-L309 WeakPolarHBondContact O-CB 3.46Å; H305-L309 PolarHBondContact O-N 3.1Å; H305-A328 PolarHBondContact CE1-O 2.85Å; H305-A328 PolarHBondContact NE2-O 3.45Å; H305-Q334 PolarHBondContact NE2-O 3.27Å; H305-T335 WeakPolarHBondContact NE2-CA 3.32Å; H305-P336 WeakPolarHBondContact NE2-CD 3.49Å; H305-L339 HydrophobicContact CB-CD1 3.8Å
306	V	98	Very high	95.4	Very high	3 Å²	3	26 Å²	26	2%	0.018	15%	0.148	C	C	.	.	H	α-helix	trans	-68.1	-40.4	-179.2	177.8	0	0	0	0	111.7	I272 R276 D301 T302 A303 L304 A308 L309 C310	I272-V306 HydrophobicContact CG2-CG2 4.02Å; R276-V306 HydrophobicContact CB-CG1 3.56Å; R276-V306 HydrophobicContact CG-CG1 3.89Å; D301-V306 HydrophobicContact CB-CG2 3.78Å; T302-V306 PolarHBondContact O-N 3.32Å; A303-V306 PolarHBondContact O-N 3.29Å; L304-V306 VanDerWaalsContact C-N 3.33Å; L304-V306 PolarHBondContact O-N 3.1Å; V306-A308 VanDerWaalsContact C-N 3.33Å; V306-A308 PolarHBondContact O-N 3.33Å; V306-L309 PolarHBondContact O-N 3.27Å; V306-C310 PolarHBondContact O-N 3.05Å; V306-C310 VanDerWaalsContact O-N 3.13Å; V306-C310 PolarHBondContact O-SG 3.13Å
307	A	97.9	Very high	95.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.9	-39.5	173.8	0	0	0	0	0	112.1	A303 L304 C310 D311 L312 T315 I316 L319	A303-A307 WeakPolarHBondContact O-CB 3.38Å; A303-A307 PolarHBondContact O-N 3.18Å; L304-A307 PolarHBondContact O-N 3.34Å; A307-C310 PolarHBondContact O-N 3.34Å; A307-D311 PolarHBondContact O-N 2.93Å; A307-L312 PolarHBondContact O-N 2.74Å; A307-T315 HydrophobicContact CB-CG2 3.92Å; A307-I316 HydrophobicContact CB-CG1 4.06Å; A307-L319 HydrophobicContact CB-CD1 3.94Å
308	A	97.6	Very high	95	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.8	-43.4	175.4	0	0	0	0	0	112.8	L304 H305 V306 C310 D311 I316 P336 A340 A348 L352	L304-A308 VanDerWaalsContact O-CB 3.23Å; L304-A308 WeakPolarHBondContact O-CB 3.4Å; L304-A308 PolarHBondContact O-N 3.41Å; H305-A308 WeakPolarHBondContact O-CB 3.39Å; H305-A308 PolarHBondContact O-N 2.97Å; V306-A308 VanDerWaalsContact C-N 3.33Å; V306-A308 PolarHBondContact O-N 3.33Å; A308-C310 PolarHBondContact O-N 3.33Å; A308-D311 PolarHBondContact O-N 2.94Å; A308-D311 VanDerWaalsContact O-N 3.15Å; A308-I316 HydrophobicContact CB-CD1 4.42Å; A308-P336 HydrophobicContact CB-CB 4.19Å; A308-A340 HydrophobicContact CB-CB 4.18Å; A308-A348 HydrophobicContact CB-CB 4.48Å; A308-L352 HydrophobicContact CB-CD1 4.06Å
309	L	97.2	Very high	95.2	Very high	44 Å²	44	20.7 Å²	20.7	23%	0.23	12%	0.12	C	C	.	.	H	α-helix	trans	-59.3	-36.5	176	-169.7	78.1	0	0	0	112.2	H305 V306 D311 Q343 R345	H305-L309 WeakPolarHBondContact O-CB 3.46Å; H305-L309 PolarHBondContact O-N 3.1Å; V306-L309 PolarHBondContact O-N 3.27Å; L309-D311 VanDerWaalsContact C-N 3.34Å; L309-Q343 HydrophobicContact CD1-CG 3.64Å; L309-R345 PolarHBondContact O-NE 3.16Å
310	C	96.4	Very high	95.3	Very high	46 Å²	46	18.2 Å²	18.2	31%	0.311	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	4.1	-179.4	-58.2	0	0	0	0	114	V306 A307 A308 L312	V306-C310 PolarHBondContact O-N 3.05Å; V306-C310 VanDerWaalsContact O-N 3.13Å; V306-C310 PolarHBondContact O-SG 3.13Å; A307-C310 PolarHBondContact O-N 3.34Å; A308-C310 PolarHBondContact O-N 3.33Å; C310-L312 VanDerWaalsContact C-N 3.31Å; C310-L312 HydrophobicContact CB-CD1 3.96Å; C310-L312 HydrophobicContact CB-CG 3.84Å; C310-L312 PolarHBondContact O-N 2.88Å
311	D	94.9	Very high	95.2	Very high	40 Å²	40	18.7 Å²	18.7	21%	0.214	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	31.7	179.4	-141	-1	0	0	0	115.3	A307 A308 L309 S313 R345 E347 A348	A307-D311 PolarHBondContact O-N 2.93Å; A308-D311 PolarHBondContact O-N 2.94Å; A308-D311 VanDerWaalsContact O-N 3.15Å; L309-D311 VanDerWaalsContact C-N 3.34Å; D311-S313 PolarHBondContact O-N 3.41Å; D311-R345 HydrophobicContact CB-CB 4.24Å; D311-R345 HydrophobicContact CB-CG 4.33Å; D311-R345 WeakPolarHBondContact OD1-CB 3.41Å; D311-E347 WeakPolarHBondContact OD1-CB 3.49Å; D311-E347 PolarHBondContact OD1-N 3.11Å; D311-A348 WeakPolarHBondContact OD1-CB 3.46Å; D311-A348 PolarHBondContact OD1-N 2.93Å
312	L	93.1	Very high	95	Very high	50 Å²	50	19.6 Å²	19.6	26%	0.262	11%	0.107	S	C	.	.			trans	-94.7	78.1	-173.1	-59.6	179	0	0	0	111.7	R276 A307 C310 D314 T315 I316	R276-L312 WeakPolarHBondContact O-CD1 3.21Å; A307-L312 PolarHBondContact O-N 2.74Å; C310-L312 VanDerWaalsContact C-N 3.31Å; C310-L312 HydrophobicContact CB-CD1 3.96Å; C310-L312 HydrophobicContact CB-CG 3.84Å; C310-L312 PolarHBondContact O-N 2.88Å; L312-D314 PolarHBondContact O-N 2.82Å; L312-T315 WeakPolarHBondContact O-CA 3.45Å; L312-T315 WeakPolarHBondContact O-CB 3.23Å; L312-T315 PolarHBondContact O-N 3.16Å; L312-I316 PolarHBondContact O-N 3.17Å
313	S	90.3	Very high	94.8	Very high	35 Å²	35	27.1 Å²	27.1	25%	0.245	14%	0.138	C	C	.	.	H	α-helix	trans	-53.4	-47.2	-178.9	56.6	0	0	0	0	113.8	D311 T315 I316 Y317	D311-S313 PolarHBondContact O-N 3.41Å; S313-T315 VanDerWaalsContact C-N 3.27Å; S313-T315 PolarHBondContact O-N 3.03Å; S313-I316 WeakPolarHBondContact O-CB 3.34Å; S313-I316 PolarHBondContact O-N 2.99Å; S313-I316 VanDerWaalsContact O-N 3.11Å; S313-Y317 WeakPolarHBondContact O-CD2 3.23Å; S313-Y317 PolarHBondContact O-N 3.4Å
314	D	89.2	Confident	94.7	Very high	71 Å²	71	27.4 Å²	27.4	38%	0.38	14%	0.14	S	C	.	.	H	α-helix	trans	-60.2	-37.2	176.5	-75	-26.2	0	0	0	112.3	L312 F318 Y675	L312-D314 PolarHBondContact O-N 2.82Å; D314-F318 VanDerWaalsContact O-CB 3.25Å; D314-F318 WeakPolarHBondContact O-CB 3.44Å; D314-F318 PolarHBondContact O-N 3.47Å; D314-Y675 HydrophobicContact CB-CD2 4.39Å; D314-Y675 HydrophobicContact CB-CE2 4.03Å
315	T	93.5	Very high	94.6	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.031	17%	0.165	C	C	.	.	H	α-helix	trans	-71.8	-33	177.1	-54.5	0	0	0	0	111.7	G278 H280 I283 A307 L312 S313 F318 L319	G278-T315 VanDerWaalsContact CA-OG1 3.3Å; G278-T315 WeakPolarHBondContact CA-OG1 3.45Å; H280-T315 WeakPolarHBondContact NE2-CA 3.5Å; H280-T315 PolarHBondContact NE2-OG1 3.07Å; I283-T315 HydrophobicContact CD1-CG2 4.42Å; A307-T315 HydrophobicContact CB-CG2 3.92Å; L312-T315 WeakPolarHBondContact O-CA 3.45Å; L312-T315 WeakPolarHBondContact O-CB 3.23Å; L312-T315 PolarHBondContact O-N 3.16Å; S313-T315 VanDerWaalsContact C-N 3.27Å; S313-T315 PolarHBondContact O-N 3.03Å; T315-F318 PolarHBondContact O-N 2.99Å; T315-L319 HydrophobicContact CG2-CD1 3.98Å; T315-L319 HydrophobicContact CG2-CG 4.23Å; T315-L319 WeakPolarHBondContact O-CB 3.48Å; T315-L319 VanDerWaalsContact O-CG 3.24Å; T315-L319 WeakPolarHBondContact O-CG 3.46Å; T315-L319 PolarHBondContact O-N 3.35Å
316	I	94.8	Very high	94.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-50.7	173.7	-70.5	159.6	0	0	0	110.3	L304 A307 A308 L312 S313 F318 L319 F320 A348 A351 L352	L304-I316 HydrophobicContact CD2-CB 4.43Å; L304-I316 HydrophobicContact CD2-CG1 4.44Å; L304-I316 HydrophobicContact CD2-CG2 4.17Å; A307-I316 HydrophobicContact CB-CG1 4.06Å; A308-I316 HydrophobicContact CB-CD1 4.42Å; L312-I316 PolarHBondContact O-N 3.17Å; S313-I316 WeakPolarHBondContact O-CB 3.34Å; S313-I316 PolarHBondContact O-N 2.99Å; S313-I316 VanDerWaalsContact O-N 3.11Å; I316-F318 VanDerWaalsContact C-N 3.28Å; I316-F318 PolarHBondContact O-N 3.41Å; I316-L319 PolarHBondContact O-N 3.32Å; I316-F320 WeakPolarHBondContact O-CB 3.45Å; I316-F320 PolarHBondContact O-N 3Å; I316-A348 HydrophobicContact CD1-CB 3.55Å; I316-A351 HydrophobicContact CB-CB 4.25Å; I316-A351 HydrophobicContact CD1-CB 4.31Å; I316-A351 HydrophobicContact CG2-CB 4.06Å; I316-L352 HydrophobicContact CD1-CG 4.21Å; I316-L352 HydrophobicContact CG2-CD2 3.67Å; I316-L352 HydrophobicContact CG2-CG 4.07Å
317	Y	92.1	Very high	94.2	Very high	18 Å²	18	35.1 Å²	35.1	7%	0.071	18%	0.184	C	C	.	.	H	α-helix	trans	-57.9	-44.1	175.9	-68.4	-57.6	0	0	0	111.6	S313 F320 S321 A351 F354 I406 L677	S313-Y317 WeakPolarHBondContact O-CD2 3.23Å; S313-Y317 PolarHBondContact O-N 3.4Å; Y317-F320 PolarHBondContact O-N 3.49Å; Y317-S321 PolarHBondContact O-N 2.93Å; Y317-A351 HydrophobicContact CD2-CB 4.44Å; Y317-A351 HydrophobicContact CE1-CB 4.19Å; Y317-A351 HydrophobicContact CE2-CB 3.86Å; Y317-F354 HydrophobicContact CE1-CB 4.02Å; Y317-F354 VanDerWaalsContact OH-CD2 3.27Å; Y317-F354 WeakPolarHBondContact OH-CD2 3.42Å; Y317-I406 HydrophobicContact CD1-CD1 4.09Å; Y317-I406 HydrophobicContact CD1-CG2 4.2Å; Y317-I406 HydrophobicContact CE1-CD1 4.02Å; Y317-L677 HydrophobicContact CD1-CD1 4.24Å; Y317-L677 HydrophobicContact CD2-CD1 4.42Å; Y317-L677 HydrophobicContact CE1-CD1 3.82Å; Y317-L677 HydrophobicContact CE2-CD1 4.01Å
318	F	91.8	Very high	94.1	Very high	11 Å²	11	36 Å²	36	5%	0.048	19%	0.192	C	C	.	.	H	α-helix	trans	-61.9	-48.9	177.9	-179.9	-96.2	0	0	0	112.6	H280 I283 D284 D314 T315 I316 F320 S321 R322 Y675	H280-F318 HydrophobicContact CB-CD1 4.08Å; H280-F318 HydrophobicContact CB-CD2 4.06Å; H280-F318 HydrophobicContact CB-CE1 3.86Å; H280-F318 HydrophobicContact CB-CE2 3.83Å; H280-F318 HydrophobicContact CB-CG 4.16Å; H280-F318 HydrophobicContact CB-CZ 3.7Å; H280-F318 AromaticContact CD2-CD1 3.75Å; H280-F318 AromaticContact CD2-CG 3.84Å; H280-F318 AromaticContact CG-CG 3.92Å; H280-F318 VanDerWaalsContact O-CZ 3.28Å; H280-F318 WeakPolarHBondContact O-CZ 3.45Å; I283-F318 HydrophobicContact CB-CE1 3.89Å; I283-F318 HydrophobicContact CD1-CD1 4.45Å; I283-F318 HydrophobicContact CD1-CE1 4.33Å; I283-F318 HydrophobicContact CG2-CD1 4.47Å; I283-F318 HydrophobicContact CG2-CE1 3.72Å; D284-F318 VanDerWaalsContact OD1-CZ 3.22Å; D284-F318 WeakPolarHBondContact OD1-CZ 3.28Å; D314-F318 VanDerWaalsContact O-CB 3.25Å; D314-F318 WeakPolarHBondContact O-CB 3.44Å; D314-F318 PolarHBondContact O-N 3.47Å; T315-F318 PolarHBondContact O-N 2.99Å; I316-F318 VanDerWaalsContact C-N 3.28Å; I316-F318 PolarHBondContact O-N 3.41Å; F318-F320 VanDerWaalsContact C-N 3.32Å; F318-F320 PolarHBondContact O-N 3.29Å; F318-S321 PolarHBondContact O-N 3.3Å; F318-S321 PolarHBondContact O-OG 3.13Å; F318-R322 HydrophobicContact CE1-CG 4.25Å; F318-R322 HydrophobicContact CZ-CG 4.33Å; F318-R322 WeakPolarHBondContact O-CG 3.27Å; F318-R322 PolarHBondContact O-N 3.48Å; F318-R322 VanDerWaalsContact O-N 3.12Å; F318-Y675 HydrophobicContact CB-CE1 4.25Å; F318-Y675 AromaticContact CD2-CE1 3.67Å; F318-Y675 HydrophobicContact CD2-CE1 3.67Å; F318-Y675 AromaticContact CD2-CZ 3.86Å; F318-Y675 WeakPolarHBondContact CD2-OH 3.27Å; F318-Y675 HydrophobicContact CG-CE1 4.45Å
319	L	95.5	Very high	94	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.6	-40	177.7	-72.9	171.3	0	0	0	111.2	I283 A303 L304 A307 T315 I316 R322 K323 F324	I283-L319 HydrophobicContact CD1-CD2 4.25Å; I283-L319 HydrophobicContact CG2-CD2 3.96Å; A303-L319 HydrophobicContact CB-CD1 4.02Å; A303-L319 HydrophobicContact CB-CD2 4.17Å; L304-L319 HydrophobicContact CD2-CB 3.69Å; L304-L319 HydrophobicContact CD2-CD1 4.06Å; L304-L319 HydrophobicContact CG-CB 4.04Å; L304-L319 HydrophobicContact CG-CD1 4.23Å; A307-L319 HydrophobicContact CB-CD1 3.94Å; T315-L319 HydrophobicContact CG2-CD1 3.98Å; T315-L319 HydrophobicContact CG2-CG 4.23Å; T315-L319 WeakPolarHBondContact O-CB 3.48Å; T315-L319 VanDerWaalsContact O-CG 3.24Å; T315-L319 WeakPolarHBondContact O-CG 3.46Å; T315-L319 PolarHBondContact O-N 3.35Å; I316-L319 PolarHBondContact O-N 3.32Å; L319-R322 CarbonylContact O-C 3.49Å; L319-R322 WeakPolarHBondContact O-CA 3.48Å; L319-R322 PolarHBondContact O-N 3.38Å; L319-R322 VanDerWaalsContact O-N 3.12Å; L319-K323 PolarHBondContact O-N 3.36Å; L319-F324 HydrophobicContact CB-CB 4.28Å; L319-F324 HydrophobicContact CB-CD2 4.12Å; L319-F324 HydrophobicContact CB-CG 4.21Å; L319-F324 HydrophobicContact CD2-CD1 4.31Å; L319-F324 HydrophobicContact CD2-CD2 3.81Å; L319-F324 HydrophobicContact CD2-CE1 4.16Å; L319-F324 HydrophobicContact CD2-CE2 3.62Å; L319-F324 HydrophobicContact CD2-CG 4.13Å; L319-F324 HydrophobicContact CD2-CZ 3.81Å; L319-F324 WeakPolarHBondContact O-CB 3.14Å; L319-F324 WeakPolarHBondContact O-CD2 3.44Å; L319-F324 PolarHBondContact O-N 3.06Å; L319-F324 VanDerWaalsContact O-N 3.14Å
320	F	94.3	Very high	93.9	Very high	22 Å²	22	38.1 Å²	38.1	10%	0.096	21%	0.206	C	C	.	.	H	α-helix	trans	-63.2	-43.8	176.8	-174.7	-114.3	0	0	0	112	I316 Y317 F318 R322 K323 L326 C355 I403 I406 L407	I316-F320 WeakPolarHBondContact O-CB 3.45Å; I316-F320 PolarHBondContact O-N 3Å; Y317-F320 PolarHBondContact O-N 3.49Å; F318-F320 VanDerWaalsContact C-N 3.32Å; F318-F320 PolarHBondContact O-N 3.29Å; F320-R322 PolarHBondContact O-N 3.15Å; F320-K323 WeakPolarHBondContact O-CA 3.41Å; F320-K323 PolarHBondContact O-N 3.4Å; F320-L326 HydrophobicContact CD2-CB 4.28Å; F320-L326 HydrophobicContact CD2-CD2 4.33Å; F320-L326 HydrophobicContact CE2-CB 4.22Å; F320-L326 HydrophobicContact CE2-CD2 4.01Å; F320-C355 HydrophobicContact CB-CB 4.45Å; F320-C355 HydrophobicContact CD1-CB 3.78Å; F320-C355 VanDerWaalsContact CD1-SG 3.59Å; F320-C355 HydrophobicContact CD2-CB 4.17Å; F320-C355 HydrophobicContact CE1-CB 3.98Å; F320-C355 HydrophobicContact CE2-CB 4.36Å; F320-C355 HydrophobicContact CG-CB 3.87Å; F320-C355 HydrophobicContact CZ-CB 4.26Å; F320-C355 WeakPolarHBondContact CZ-O 3.33Å; F320-I403 HydrophobicContact CE1-CG2 4.02Å; F320-I403 HydrophobicContact CZ-CG2 3.92Å; F320-I406 HydrophobicContact CD1-CB 4.42Å; F320-I406 HydrophobicContact CD1-CG2 3.75Å; F320-I406 HydrophobicContact CE1-CG2 4.38Å; F320-L407 HydrophobicContact CD1-CD2 3.98Å; F320-L407 HydrophobicContact CD1-CG 4.33Å; F320-L407 HydrophobicContact CE1-CD1 4.33Å; F320-L407 HydrophobicContact CE1-CD2 3.72Å; F320-L407 HydrophobicContact CE1-CG 3.72Å; F320-L407 HydrophobicContact CE2-CD2 4.35Å; F320-L407 HydrophobicContact CG-CD2 4.41Å; F320-L407 HydrophobicContact CZ-CD1 4.25Å; F320-L407 HydrophobicContact CZ-CD2 3.93Å; F320-L407 HydrophobicContact CZ-CG 4.08Å; F320-L407 VanDerWaalsContact O-CD2 3.3Å; F320-L407 WeakPolarHBondContact O-CD2 3.42Å
321	S	92.8	Very high	93.9	Very high	17 Å²	17	42.5 Å²	42.5	12%	0.119	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-24.2	174.8	78.8	0	0	0	0	112.9	Y317 F318 K323 I406	Y317-S321 PolarHBondContact O-N 2.93Å; F318-S321 PolarHBondContact O-N 3.3Å; F318-S321 PolarHBondContact O-OG 3.13Å; S321-K323 VanDerWaalsContact C-N 3.27Å; S321-K323 PolarHBondContact O-N 3.24Å; S321-I406 WeakPolarHBondContact CB-O 3.46Å
322	R	93	Very high	93.9	Very high	36 Å²	36	43.7 Å²	43.7	14%	0.136	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	12.8	170.3	-61	-48.5	-170.8	174	1.2	114.8	D284 I287 R293 F318 L319 F320 F324	D284-R322 IonicContact OD1-CZ 2.66Å; D284-R322 IonicContact OD1-NE 3.31Å; D284-R322 PolarHBondContact OD1-NE 3.38Å; D284-R322 IonicContact OD1-NH2 3.42Å; D284-R322 PolarHBondContact OD1-NH2 3.24Å; D284-R322 IonicContact OD2-CZ 3.02Å; D284-R322 IonicContact OD2-NE 3.99Å; D284-R322 IonicContact OD2-NH2 3.23Å; D284-R322 PolarHBondContact OD2-NH2 2.63Å; I287-R322 HydrophobicContact CD1-CB 4.18Å; I287-R322 HydrophobicContact CD1-CG 4.38Å; R293-R322 PolarHBondContact NE-O 2.98Å; F318-R322 HydrophobicContact CE1-CG 4.25Å; F318-R322 HydrophobicContact CZ-CG 4.33Å; F318-R322 WeakPolarHBondContact O-CG 3.27Å; F318-R322 PolarHBondContact O-N 3.48Å; F318-R322 VanDerWaalsContact O-N 3.12Å; L319-R322 CarbonylContact O-C 3.49Å; L319-R322 WeakPolarHBondContact O-CA 3.48Å; L319-R322 PolarHBondContact O-N 3.38Å; L319-R322 VanDerWaalsContact O-N 3.12Å; F320-R322 PolarHBondContact O-N 3.15Å; R322-F324 HydrophobicContact CB-CD2 4.01Å; R322-F324 HydrophobicContact CB-CE2 4Å
323	K	93.5	Very high	94	Very high	170 Å²	170	47.3 Å²	47.3	74%	0.739	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	37.2	176.7	-53.5	-175.6	177.2	-173.8	0	113.8	L319 F320 S321	L319-K323 PolarHBondContact O-N 3.36Å; F320-K323 WeakPolarHBondContact O-CA 3.41Å; F320-K323 PolarHBondContact O-N 3.4Å; S321-K323 VanDerWaalsContact C-N 3.27Å; S321-K323 PolarHBondContact O-N 3.24Å
324	F	96.2	Very high	94.3	Very high	7 Å²	7	47.2 Å²	47.2	3%	0.031	24%	0.237	C	C	.	.			trans	-71.9	140.9	164.7	-77.2	-106.2	0	0	0	109.6	L271 I287 R293 A303 L304 L319 R322 L326	L271-F324 HydrophobicContact CD1-CZ 4.21Å; L271-F324 HydrophobicContact CD2-CE1 3.99Å; L271-F324 HydrophobicContact CD2-CZ 3.98Å; I287-F324 HydrophobicContact CD1-CE2 3.51Å; I287-F324 HydrophobicContact CD1-CZ 3.83Å; I287-F324 HydrophobicContact CG1-CE2 4.36Å; I287-F324 HydrophobicContact CG1-CZ 4.29Å; R293-F324 HydrophobicContact CB-CD1 4.09Å; R293-F324 HydrophobicContact CB-CE1 3.84Å; R293-F324 HydrophobicContact CB-CZ 4.16Å; R293-F324 HydrophobicContact CG-CD1 4.5Å; R293-F324 HydrophobicContact CG-CD2 4.48Å; R293-F324 HydrophobicContact CG-CE1 4.06Å; R293-F324 HydrophobicContact CG-CE2 4.07Å; R293-F324 HydrophobicContact CG-CZ 3.85Å; A303-F324 HydrophobicContact CB-CD1 3.82Å; A303-F324 HydrophobicContact CB-CE1 3.6Å; A303-F324 HydrophobicContact CB-CZ 4.47Å; L304-F324 HydrophobicContact CD1-CB 3.66Å; L304-F324 HydrophobicContact CG-CB 4.03Å; L319-F324 HydrophobicContact CB-CB 4.28Å; L319-F324 HydrophobicContact CB-CD2 4.12Å; L319-F324 HydrophobicContact CB-CG 4.21Å; L319-F324 HydrophobicContact CD2-CD1 4.31Å; L319-F324 HydrophobicContact CD2-CD2 3.81Å; L319-F324 HydrophobicContact CD2-CE1 4.16Å; L319-F324 HydrophobicContact CD2-CE2 3.62Å; L319-F324 HydrophobicContact CD2-CG 4.13Å; L319-F324 HydrophobicContact CD2-CZ 3.81Å; L319-F324 WeakPolarHBondContact O-CB 3.14Å; L319-F324 WeakPolarHBondContact O-CD2 3.44Å; L319-F324 PolarHBondContact O-N 3.06Å; L319-F324 VanDerWaalsContact O-N 3.14Å; R322-F324 HydrophobicContact CB-CD2 4.01Å; R322-F324 HydrophobicContact CB-CE2 4Å; F324-L326 PolarHBondContact O-N 3.21Å
325	D	95.6	Very high	94.8	Very high	99 Å²	99	44 Å²	44	53%	0.529	22%	0.221	S	C	.	.			trans	-71.3	115.6	-178.1	-179.2	13.4	0	0	0	111	L304 C327 A328	L304-D325 WeakPolarHBondContact CD1-O 3.49Å; D325-C327 VanDerWaalsContact C-N 3.26Å; D325-C327 PolarHBondContact O-N 2.88Å; D325-C327 PolarHBondContact OD1-N 3.25Å; D325-A328 HydrophobicContact CB-CB 4.13Å; D325-A328 PolarHBondContact OD2-N 3.41Å
326	L	94.7	Very high	95	Very high	13 Å²	13	43.8 Å²	43.8	7%	0.068	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-22	179.3	-167.9	64.7	0	0	0	112.9	L304 F320 F324 P336 L352 C355 A357	L304-L326 HydrophobicContact CD1-CD1 4.3Å; F320-L326 HydrophobicContact CD2-CB 4.28Å; F320-L326 HydrophobicContact CD2-CD2 4.33Å; F320-L326 HydrophobicContact CE2-CB 4.22Å; F320-L326 HydrophobicContact CE2-CD2 4.01Å; F324-L326 PolarHBondContact O-N 3.21Å; L326-P336 WeakPolarHBondContact O-CD 3.41Å; L326-L352 HydrophobicContact CD1-CD2 3.42Å; L326-L352 VanDerWaalsContact CD1-CD2 3.42Å; L326-C355 HydrophobicContact CD1-CB 4.15Å; L326-C355 HydrophobicContact CD2-CB 3.71Å; L326-C355 WeakPolarHBondContact CD2-O 3.23Å; L326-A357 HydrophobicContact CD1-CB 4.35Å; L326-A357 VanDerWaalsContact CD2-CA 3.43Å; L326-A357 HydrophobicContact CD2-CB 3.87Å; L326-A357 HydrophobicContact CG-CB 3.95Å
327	C	94.6	Very high	95.2	Very high	53 Å²	53	43.9 Å²	43.9	36%	0.358	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	5	-177.1	-67.4	0	0	0	0	113.1	D325 L361	D325-C327 VanDerWaalsContact C-N 3.26Å; D325-C327 PolarHBondContact O-N 2.88Å; D325-C327 PolarHBondContact OD1-N 3.25Å; C327-L361 HydrophobicContact CB-CD1 4.06Å
328	A	95.5	Very high	95.5	Very high	19 Å²	19	43 Å²	43	16%	0.157	22%	0.216	C	C	.	.			trans	-57	150.6	174.5	0	0	0	0	0	110.4	T302 H305 D325 T335 P336	T302-A328 HydrophobicContact CG2-CB 3.79Å; H305-A328 PolarHBondContact CE1-O 2.85Å; H305-A328 PolarHBondContact NE2-O 3.45Å; D325-A328 HydrophobicContact CB-CB 4.13Å; D325-A328 PolarHBondContact OD2-N 3.41Å; A328-T335 WeakPolarHBondContact O-CA 2.88Å; A328-P336 WeakPolarHBondContact O-CD 3.36Å
329	V	95.5	Very high	95.7	Very high	76 Å²	76	43.1 Å²	43.1	46%	0.461	22%	0.217	S	C	.	.			trans	-123.5	144.5	-178.9	-63	0	0	0	0	112.4	Q334 T335	V329-Q334 CarbonylContact C-O 3.45Å; V329-Q334 WeakPolarHBondContact CA-O 3.22Å; V329-T335 HydrophobicContact CG1-CG2 3.92Å
330	N	95.8	Very high	95.8	Very high	12 Å²	12	43.1 Å²	43.1	6%	0.064	22%	0.217	C	C	.	.			trans	-84.4	-170	173.3	72.1	3.9	0	0	0	112.5	G300 D301 D332 K333 Q334	G300-N330 WeakPolarHBondContact O-CA 3.38Å; G300-N330 WeakPolarHBondContact O-CB 3.25Å; D301-N330 PolarHBondContact OD1-ND2 3.38Å; N330-D332 PolarHBondContact O-N 3.01Å; N330-D332 PolarHBondContact OD1-N 3.15Å; N330-D332 VanDerWaalsContact OD1-N 3.08Å; N330-K333 WeakPolarHBondContact O-CA 3.22Å; N330-K333 PolarHBondContact O-N 3.42Å; N330-K333 PolarHBondContact OD1-N 3.37Å; N330-Q334 PolarHBondContact N-O 3.07Å; N330-Q334 WeakPolarHBondContact OD1-CB 3.28Å; N330-Q334 PolarHBondContact OD1-N 2.95Å
331	E	94.4	Very high	96	Very high	139 Å²	139	42 Å²	42	65%	0.65	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.4	-178.7	-69.2	-174.3	176.8	0	0	113.8	K333	E331-K333 VanDerWaalsContact C-N 3.25Å; E331-K333 PolarHBondContact O-N 2.95Å
332	D	95.1	Very high	96.2	Very high	65 Å²	65	42.8 Å²	42.8	35%	0.348	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	14.7	175.1	-70.1	-44.6	0	0	0	113.2	N330 Q334 K364	N330-D332 PolarHBondContact O-N 3.01Å; N330-D332 PolarHBondContact OD1-N 3.15Å; N330-D332 VanDerWaalsContact OD1-N 3.08Å; D332-Q334 HydrophobicContact CB-CG 4.11Å; D332-Q334 PolarHBondContact O-N 3.24Å; D332-Q334 VanDerWaalsContact O-N 3.12Å; D332-K364 WeakPolarHBondContact O-CB 3.27Å; D332-K364 PolarHBondContact O-N 3.37Å; D332-K364 IonicContact OD1-NZ 2.82Å; D332-K364 PolarHBondContact OD1-NZ 2.94Å
333	K	96	Very high	96.4	Very high	126 Å²	126	45.4 Å²	45.4	55%	0.548	23%	0.231	S	C	.	.			trans	57.4	19.7	-176.4	-56.8	-176.9	176.9	-179.7	0	113.5	N330 E331	N330-K333 WeakPolarHBondContact O-CA 3.22Å; N330-K333 PolarHBondContact O-N 3.42Å; N330-K333 PolarHBondContact OD1-N 3.37Å; E331-K333 VanDerWaalsContact C-N 3.25Å; E331-K333 PolarHBondContact O-N 2.95Å
334	Q	97.4	Very high	96.5	Very high	33 Å²	33	40.9 Å²	40.9	15%	0.154	22%	0.215	C	C	.	.			trans	-80.1	141	177.7	-67.3	177.9	-31.5	0	0	109	H305 V329 N330 D332 H338 D363	H305-Q334 PolarHBondContact NE2-O 3.27Å; V329-Q334 CarbonylContact C-O 3.45Å; V329-Q334 WeakPolarHBondContact CA-O 3.22Å; N330-Q334 PolarHBondContact N-O 3.07Å; N330-Q334 WeakPolarHBondContact OD1-CB 3.28Å; N330-Q334 PolarHBondContact OD1-N 2.95Å; D332-Q334 HydrophobicContact CB-CG 4.11Å; D332-Q334 PolarHBondContact O-N 3.24Å; D332-Q334 VanDerWaalsContact O-N 3.12Å; Q334-H338 HydrophobicContact CB-CB 3.74Å; Q334-H338 HydrophobicContact CG-CB 4.06Å; Q334-D363 HydrophobicContact CG-CB 3.79Å
335	T	98	Very high	96.5	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.025	23%	0.227	C	C	.	.			trans	-87	169.4	168.3	69.9	0	0	0	0	110.3	H305 A328 V329 L337 H338 L339 L361	H305-T335 WeakPolarHBondContact NE2-CA 3.32Å; A328-T335 WeakPolarHBondContact O-CA 2.88Å; V329-T335 HydrophobicContact CG1-CG2 3.92Å; T335-L337 PolarHBondContact O-N 3.04Å; T335-L337 VanDerWaalsContact O-N 3.1Å; T335-L337 PolarHBondContact OG1-N 3.19Å; T335-H338 PolarHBondContact N-ND1 2.89Å; T335-H338 WeakPolarHBondContact O-CB 3.44Å; T335-H338 PolarHBondContact O-N 3.41Å; T335-H338 PolarHBondContact OG1-N 3.49Å; T335-H338 PolarHBondContact OG1-ND1 3.01Å; T335-L339 PolarHBondContact O-N 2.77Å; T335-L361 HydrophobicContact CG2-CB 4.16Å; T335-L361 HydrophobicContact CG2-CD1 3.7Å
336	P	98.4	Very high	96.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-54.1	-33.2	173.8	-27.5	35.9	0	0	0	113	L304 H305 A308 L326 A328 L339 A340 L352	L304-P336 HydrophobicContact CB-CB 4.23Å; L304-P336 HydrophobicContact CB-CG 3.74Å; H305-P336 WeakPolarHBondContact NE2-CD 3.49Å; A308-P336 HydrophobicContact CB-CB 4.19Å; L326-P336 WeakPolarHBondContact O-CD 3.41Å; A328-P336 WeakPolarHBondContact O-CD 3.36Å; P336-L339 PolarHBondContact O-N 3.29Å; P336-A340 WeakPolarHBondContact O-CB 3.2Å; P336-A340 PolarHBondContact O-N 2.98Å; P336-L352 HydrophobicContact CB-CD1 4.14Å; P336-L352 HydrophobicContact CB-CD2 3.97Å
337	L	98.3	Very high	96.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-68.6	-37.7	176.6	-176.5	61.7	0	0	0	112.5	T335 L339 A340 V341 V349 L352 L353 A357 L359 P369	T335-L337 PolarHBondContact O-N 3.04Å; T335-L337 VanDerWaalsContact O-N 3.1Å; T335-L337 PolarHBondContact OG1-N 3.19Å; L337-L339 VanDerWaalsContact C-N 3.35Å; L337-L339 PolarHBondContact O-N 2.92Å; L337-A340 PolarHBondContact O-N 3.39Å; L337-V341 HydrophobicContact CD1-CG2 4.16Å; L337-V341 HydrophobicContact CG-CG2 4.49Å; L337-V341 WeakPolarHBondContact O-CB 3.37Å; L337-V341 VanDerWaalsContact O-CG2 3.25Å; L337-V341 WeakPolarHBondContact O-CG2 3.44Å; L337-V341 PolarHBondContact O-N 3.43Å; L337-V349 HydrophobicContact CD1-CB 4.43Å; L337-V349 HydrophobicContact CD1-CG1 3.97Å; L337-V349 HydrophobicContact CD1-CG2 4.29Å; L337-L352 HydrophobicContact CB-CD1 4.23Å; L337-L352 HydrophobicContact CD1-CB 4.22Å; L337-L352 HydrophobicContact CD1-CD1 4.29Å; L337-L353 HydrophobicContact CD1-CD2 4.48Å; L337-L353 HydrophobicContact CD2-CD2 4.26Å; L337-A357 HydrophobicContact CB-CB 4.26Å; L337-A357 HydrophobicContact CD2-CB 4.01Å; L337-L359 HydrophobicContact CD2-CD2 3.57Å; L337-P369 HydrophobicContact CB-CG 4.49Å; L337-P369 HydrophobicContact CD2-CB 4.12Å; L337-P369 HydrophobicContact CD2-CG 3.9Å; L337-P369 HydrophobicContact CG-CB 3.99Å; L337-P369 HydrophobicContact CG-CG 3.96Å
338	H	98.3	Very high	96.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.1	-44.3	174.9	-71.6	83.5	0	0	0	111.2	Q334 T335 V341 S342 L361 Q367 P369 I372	Q334-H338 HydrophobicContact CB-CB 3.74Å; Q334-H338 HydrophobicContact CG-CB 4.06Å; T335-H338 PolarHBondContact N-ND1 2.89Å; T335-H338 WeakPolarHBondContact O-CB 3.44Å; T335-H338 PolarHBondContact O-N 3.41Å; T335-H338 PolarHBondContact OG1-N 3.49Å; T335-H338 PolarHBondContact OG1-ND1 3.01Å; H338-V341 PolarHBondContact O-N 3.11Å; H338-S342 WeakPolarHBondContact O-CB 3.02Å; H338-S342 PolarHBondContact O-N 2.92Å; H338-S342 PolarHBondContact O-OG 3.45Å; H338-L361 PolarHBondContact CE1-O 3.49Å; H338-L361 VanDerWaalsContact CE1-O 3.23Å; H338-L361 PolarHBondContact NE2-O 2.82Å; H338-Q367 PolarHBondContact NE2-O 3.4Å; H338-Q367 VanDerWaalsContact NE2-O 3.11Å; H338-P369 WeakPolarHBondContact NE2-CD 3.25Å; H338-I372 HydrophobicContact CB-CD1 4.3Å
339	L	96.9	Very high	96.2	Very high	13 Å²	13	40.7 Å²	40.7	7%	0.068	20%	0.2	C	C	.	.	H	α-helix	trans	-67.7	-43.9	177.8	-75	-176.3	0	0	0	113	D301 H305 T335 P336 L337 V341 S342 Q343	D301-L339 WeakPolarHBondContact OD1-CD1 3.31Å; H305-L339 HydrophobicContact CB-CD1 3.8Å; T335-L339 PolarHBondContact O-N 2.77Å; P336-L339 PolarHBondContact O-N 3.29Å; L337-L339 VanDerWaalsContact C-N 3.35Å; L337-L339 PolarHBondContact O-N 2.92Å; L339-V341 VanDerWaalsContact C-N 3.26Å; L339-V341 PolarHBondContact O-N 3.27Å; L339-S342 PolarHBondContact O-N 2.72Å; L339-S342 PolarHBondContact O-OG 3.11Å; L339-S342 VanDerWaalsContact O-OG 3.07Å; L339-Q343 WeakPolarHBondContact O-CB 3.47Å; L339-Q343 WeakPolarHBondContact O-CG 3.39Å; L339-Q343 PolarHBondContact O-N 3.29Å; L339-Q343 VanDerWaalsContact O-N 3.08Å
340	A	98	Very high	96.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.9	-43.2	176.5	0	0	0	0	0	111.1	A308 P336 L337 N344 R345 A348 V349 L352	A308-A340 HydrophobicContact CB-CB 4.18Å; P336-A340 WeakPolarHBondContact O-CB 3.2Å; P336-A340 PolarHBondContact O-N 2.98Å; L337-A340 PolarHBondContact O-N 3.39Å; A340-N344 PolarHBondContact O-N 2.89Å; A340-R345 HydrophobicContact CB-CB 4.31Å; A340-R345 WeakPolarHBondContact O-CB 3.3Å; A340-R345 PolarHBondContact O-N 3.19Å; A340-A348 HydrophobicContact CB-CB 4.08Å; A340-V349 HydrophobicContact CB-CG2 3.54Å; A340-L352 HydrophobicContact CB-CD1 3.88Å
341	V	98.2	Very high	96	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-68.8	-45.5	178.5	171.4	0	0	0	0	112.2	L337 H338 L339 Q343 N344 V349 P369 I372 A373 Y378 L381 I385	L337-V341 HydrophobicContact CD1-CG2 4.16Å; L337-V341 HydrophobicContact CG-CG2 4.49Å; L337-V341 WeakPolarHBondContact O-CB 3.37Å; L337-V341 VanDerWaalsContact O-CG2 3.25Å; L337-V341 WeakPolarHBondContact O-CG2 3.44Å; L337-V341 PolarHBondContact O-N 3.43Å; H338-V341 PolarHBondContact O-N 3.11Å; L339-V341 VanDerWaalsContact C-N 3.26Å; L339-V341 PolarHBondContact O-N 3.27Å; V341-Q343 PolarHBondContact O-N 3.32Å; V341-N344 PolarHBondContact O-N 3.42Å; V341-V349 HydrophobicContact CB-CG2 4.49Å; V341-V349 HydrophobicContact CG2-CG1 4.43Å; V341-V349 HydrophobicContact CG2-CG2 3.64Å; V341-P369 WeakPolarHBondContact CG1-O 3Å; V341-P369 HydrophobicContact CG2-CB 4.16Å; V341-I372 HydrophobicContact CG1-CB 4.14Å; V341-I372 HydrophobicContact CG1-CG2 4.01Å; V341-A373 HydrophobicContact CG1-CB 3.66Å; V341-Y378 WeakPolarHBondContact O-CD2 3.42Å; V341-Y378 VanDerWaalsContact O-CE2 3.29Å; V341-Y378 WeakPolarHBondContact O-CE2 3.5Å; V341-L381 HydrophobicContact CB-CD1 4.42Å; V341-L381 HydrophobicContact CG1-CD1 4.18Å; V341-L381 HydrophobicContact CG2-CD1 4.48Å; V341-I385 HydrophobicContact CG2-CD1 3.88Å
342	S	96.7	Very high	96.1	Very high	32 Å²	32	31 Å²	31	22%	0.224	15%	0.15	C	C	.	.	H	α-helix	trans	-62.4	-32.5	-178.8	71.6	0	0	0	0	112.3	H338 L339 Y378	H338-S342 WeakPolarHBondContact O-CB 3.02Å; H338-S342 PolarHBondContact O-N 2.92Å; H338-S342 PolarHBondContact O-OG 3.45Å; L339-S342 PolarHBondContact O-N 2.72Å; L339-S342 PolarHBondContact O-OG 3.11Å; L339-S342 VanDerWaalsContact O-OG 3.07Å; S342-Y378 PolarHBondContact O-OH 2.96Å
343	Q	96.6	Very high	96.1	Very high	92 Å²	92	28 Å²	28	43%	0.43	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	7.2	176.9	-59.4	-55	-45.1	0	0	114.3	L309 L339 V341 R345	L309-Q343 HydrophobicContact CD1-CG 3.64Å; L339-Q343 WeakPolarHBondContact O-CB 3.47Å; L339-Q343 WeakPolarHBondContact O-CG 3.39Å; L339-Q343 PolarHBondContact O-N 3.29Å; L339-Q343 VanDerWaalsContact O-N 3.08Å; V341-Q343 PolarHBondContact O-N 3.32Å; Q343-R345 VanDerWaalsContact C-N 3.33Å; Q343-R345 HydrophobicContact CB-CG 3.77Å; Q343-R345 WeakPolarHBondContact O-CD 3.48Å; Q343-R345 PolarHBondContact O-N 3.49Å
344	N	96.3	Very high	95.9	Very high	74 Å²	74	22.8 Å²	22.8	40%	0.396	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	43.6	-179.6	-163.9	41.5	0	0	0	114.3	A340 V341 L346 Y378 L381	A340-N344 PolarHBondContact O-N 2.89Å; V341-N344 PolarHBondContact O-N 3.42Å; N344-L346 PolarHBondContact O-N 2.76Å; N344-Y378 HydrophobicContact CB-CD1 4.26Å; N344-Y378 HydrophobicContact CB-CD2 4Å; N344-Y378 HydrophobicContact CB-CE1 4Å; N344-Y378 HydrophobicContact CB-CE2 3.72Å; N344-Y378 HydrophobicContact CB-CG 4.27Å; N344-L381 WeakPolarHBondContact OD1-CD1 3.5Å
345	R	96.9	Very high	95.7	Very high	76 Å²	76	21.3 Å²	21.3	29%	0.287	10%	0.104	S	C	.	.			trans	-90.1	89.9	-177.6	-58.5	-50.7	-165	-169.3	-6.8	111	L309 D311 A340 Q343 E347 A348 V349	L309-R345 PolarHBondContact O-NE 3.16Å; D311-R345 HydrophobicContact CB-CB 4.24Å; D311-R345 HydrophobicContact CB-CG 4.33Å; D311-R345 WeakPolarHBondContact OD1-CB 3.41Å; A340-R345 HydrophobicContact CB-CB 4.31Å; A340-R345 WeakPolarHBondContact O-CB 3.3Å; A340-R345 PolarHBondContact O-N 3.19Å; Q343-R345 VanDerWaalsContact C-N 3.33Å; Q343-R345 HydrophobicContact CB-CG 3.77Å; Q343-R345 WeakPolarHBondContact O-CD 3.48Å; Q343-R345 PolarHBondContact O-N 3.49Å; R345-E347 PolarHBondContact O-N 2.86Å; R345-A348 HydrophobicContact CB-CB 3.91Å; R345-A348 PolarHBondContact O-N 3.18Å; R345-V349 WeakPolarHBondContact O-CB 3.48Å; R345-V349 VanDerWaalsContact O-CG2 3.23Å; R345-V349 WeakPolarHBondContact O-CG2 3.49Å; R345-V349 PolarHBondContact O-N 2.94Å
346	L	92.3	Very high	95.4	Very high	39 Å²	39	22.6 Å²	22.6	20%	0.204	12%	0.118	C	C	.	.	H	α-helix	trans	-64.6	-43.4	-168	-167.4	69.9	0	0	0	112.2	N344 E350 A380 L381 M384	N344-L346 PolarHBondContact O-N 2.76Å; L346-E350 WeakPolarHBondContact O-CB 3.09Å; L346-E350 PolarHBondContact O-N 3.49Å; L346-E350 VanDerWaalsContact O-N 3.08Å; L346-A380 HydrophobicContact CD1-CB 4.34Å; L346-L381 HydrophobicContact CD1-CD2 3.67Å; L346-M384 HydrophobicContact CD1-CE 3.17Å; L346-M384 HydrophobicContact CG-CE 3.82Å
347	E	90	Very high	95.3	Very high	73 Å²	73	22.9 Å²	22.9	34%	0.341	12%	0.121	S	C	.	.	H	α-helix	trans	-66.7	-45.7	179.1	-68.8	59.3	-138.7	0	0	111.3	D311 R345 E350 A351 R686	D311-E347 WeakPolarHBondContact OD1-CB 3.49Å; D311-E347 PolarHBondContact OD1-N 3.11Å; R345-E347 PolarHBondContact O-N 2.86Å; E347-E350 PolarHBondContact O-N 2.86Å; E347-A351 WeakPolarHBondContact O-CB 3.14Å; E347-A351 PolarHBondContact O-N 3.37Å; E347-R686 VanDerWaalsContact CA-NH2 3.31Å; E347-R686 IonicContact OE1-CZ 3.38Å; E347-R686 VanDerWaalsContact OE1-CZ 3.26Å; E347-R686 IonicContact OE1-NH1 2.68Å; E347-R686 PolarHBondContact OE1-NH1 2.91Å; E347-R686 IonicContact OE1-NH2 2.73Å; E347-R686 PolarHBondContact OE1-NH2 3.23Å; E347-R686 IonicContact OE2-NH2 2.69Å
348	A	95	Very high	95.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.3	-43.1	176.3	0	0	0	0	0	112.7	A308 D311 I316 A340 R345 E350 A351 L352	A308-A348 HydrophobicContact CB-CB 4.48Å; D311-A348 WeakPolarHBondContact OD1-CB 3.46Å; D311-A348 PolarHBondContact OD1-N 2.93Å; I316-A348 HydrophobicContact CD1-CB 3.55Å; A340-A348 HydrophobicContact CB-CB 4.08Å; R345-A348 HydrophobicContact CB-CB 3.91Å; R345-A348 PolarHBondContact O-N 3.18Å; A348-E350 VanDerWaalsContact C-N 3.35Å; A348-E350 PolarHBondContact O-N 3.13Å; A348-A351 PolarHBondContact O-N 3.41Å; A348-L352 WeakPolarHBondContact O-CB 3.37Å; A348-L352 WeakPolarHBondContact O-CD1 3.4Å; A348-L352 WeakPolarHBondContact O-CG 3.35Å; A348-L352 PolarHBondContact O-N 3.42Å
349	V	97.1	Very high	95.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.4	-50.1	176.5	169.6	0	0	0	0	109.8	L337 A340 V341 R345 A351 L352 L353 L381 M384	L337-V349 HydrophobicContact CD1-CB 4.43Å; L337-V349 HydrophobicContact CD1-CG1 3.97Å; L337-V349 HydrophobicContact CD1-CG2 4.29Å; A340-V349 HydrophobicContact CB-CG2 3.54Å; V341-V349 HydrophobicContact CB-CG2 4.49Å; V341-V349 HydrophobicContact CG2-CG1 4.43Å; V341-V349 HydrophobicContact CG2-CG2 3.64Å; R345-V349 WeakPolarHBondContact O-CB 3.48Å; R345-V349 VanDerWaalsContact O-CG2 3.23Å; R345-V349 WeakPolarHBondContact O-CG2 3.49Å; R345-V349 PolarHBondContact O-N 2.94Å; V349-A351 PolarHBondContact O-N 3.42Å; V349-L352 PolarHBondContact O-N 3.27Å; V349-L353 HydrophobicContact CG1-CD1 3.74Å; V349-L353 HydrophobicContact CG1-CG 4.22Å; V349-L353 WeakPolarHBondContact O-CG 3.23Å; V349-L353 PolarHBondContact O-N 3.15Å; V349-L381 HydrophobicContact CB-CD2 3.98Å; V349-L381 HydrophobicContact CG1-CD2 4.01Å; V349-L381 HydrophobicContact CG2-CD1 4.47Å; V349-L381 HydrophobicContact CG2-CD2 3.92Å; V349-M384 HydrophobicContact CB-SD 4.47Å; V349-M384 HydrophobicContact CG1-SD 3.88Å
350	E	93.8	Very high	95	Very high	22 Å²	22	31.2 Å²	31.2	10%	0.103	17%	0.168	C	C	.	.	H	α-helix	trans	-60.5	-43.9	180	-176.5	166.8	-140.3	0	0	112.4	L346 E347 A348 L352 L353 F354 M384 T684 F685 R686	L346-E350 WeakPolarHBondContact O-CB 3.09Å; L346-E350 PolarHBondContact O-N 3.49Å; L346-E350 VanDerWaalsContact O-N 3.08Å; E347-E350 PolarHBondContact O-N 2.86Å; A348-E350 VanDerWaalsContact C-N 3.35Å; A348-E350 PolarHBondContact O-N 3.13Å; E350-L352 PolarHBondContact O-N 3.02Å; E350-L353 PolarHBondContact O-N 2.79Å; E350-F354 HydrophobicContact CG-CD2 3.71Å; E350-F354 HydrophobicContact CG-CE2 3.4Å; E350-F354 HydrophobicContact CG-CZ 4.39Å; E350-F354 VanDerWaalsContact O-CD2 3.23Å; E350-F354 WeakPolarHBondContact O-CD2 3.48Å; E350-F354 PolarHBondContact O-N 2.77Å; E350-M384 HydrophobicContact CB-SD 3.82Å; E350-M384 HydrophobicContact CG-SD 4.48Å; E350-T684 WeakPolarHBondContact OE1-CA 3.41Å; E350-T684 WeakPolarHBondContact OE1-CB 3.43Å; E350-T684 PolarHBondContact OE1-OG1 2.84Å; E350-F685 HydrophobicContact CG-CD2 4.49Å; E350-F685 PolarHBondContact OE1-N 2.66Å; E350-R686 IonicContact OE2-CZ 2.6Å; E350-R686 IonicContact OE2-NE 3.69Å; E350-R686 PolarHBondContact OE2-NE 3.37Å; E350-R686 IonicContact OE2-NH2 3.38Å; E350-R686 PolarHBondContact OE2-NH2 3.3Å
351	A	92.9	Very high	94.9	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-45	176.7	0	0	0	0	0	112.3	I316 Y317 E347 A348 V349 L353 F354 C355	I316-A351 HydrophobicContact CB-CB 4.25Å; I316-A351 HydrophobicContact CD1-CB 4.31Å; I316-A351 HydrophobicContact CG2-CB 4.06Å; Y317-A351 HydrophobicContact CD2-CB 4.44Å; Y317-A351 HydrophobicContact CE1-CB 4.19Å; Y317-A351 HydrophobicContact CE2-CB 3.86Å; E347-A351 WeakPolarHBondContact O-CB 3.14Å; E347-A351 PolarHBondContact O-N 3.37Å; A348-A351 PolarHBondContact O-N 3.41Å; V349-A351 PolarHBondContact O-N 3.42Å; A351-L353 VanDerWaalsContact C-N 3.32Å; A351-L353 PolarHBondContact O-N 3.07Å; A351-F354 PolarHBondContact O-N 3.15Å; A351-C355 PolarHBondContact O-N 3.07Å; A351-C355 PolarHBondContact O-SG 3.33Å
352	L	96.3	Very high	94.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-38.9	177	-69.9	167.5	0	0	0	111.9	A308 I316 L326 P336 L337 A340 A348 V349 E350 C355 G356 A357	A308-L352 HydrophobicContact CB-CD1 4.06Å; I316-L352 HydrophobicContact CD1-CG 4.21Å; I316-L352 HydrophobicContact CG2-CD2 3.67Å; I316-L352 HydrophobicContact CG2-CG 4.07Å; L326-L352 HydrophobicContact CD1-CD2 3.42Å; L326-L352 VanDerWaalsContact CD1-CD2 3.42Å; P336-L352 HydrophobicContact CB-CD1 4.14Å; P336-L352 HydrophobicContact CB-CD2 3.97Å; L337-L352 HydrophobicContact CB-CD1 4.23Å; L337-L352 HydrophobicContact CD1-CB 4.22Å; L337-L352 HydrophobicContact CD1-CD1 4.29Å; A340-L352 HydrophobicContact CB-CD1 3.88Å; A348-L352 WeakPolarHBondContact O-CB 3.37Å; A348-L352 WeakPolarHBondContact O-CD1 3.4Å; A348-L352 WeakPolarHBondContact O-CG 3.35Å; A348-L352 PolarHBondContact O-N 3.42Å; V349-L352 PolarHBondContact O-N 3.27Å; E350-L352 PolarHBondContact O-N 3.02Å; L352-C355 PolarHBondContact O-N 3.04Å; L352-G356 PolarHBondContact O-N 3.02Å; L352-A357 HydrophobicContact CB-CB 4.03Å; L352-A357 WeakPolarHBondContact O-CB 3.35Å; L352-A357 PolarHBondContact O-N 3.17Å
353	L	94.9	Very high	94.8	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-42.5	175.5	-67.4	172.2	0	0	0	111.4	L337 V349 E350 A351 C355 G356 L359 M384 A388 F685	L337-L353 HydrophobicContact CD1-CD2 4.48Å; L337-L353 HydrophobicContact CD2-CD2 4.26Å; V349-L353 HydrophobicContact CG1-CD1 3.74Å; V349-L353 HydrophobicContact CG1-CG 4.22Å; V349-L353 WeakPolarHBondContact O-CG 3.23Å; V349-L353 PolarHBondContact O-N 3.15Å; E350-L353 PolarHBondContact O-N 2.79Å; A351-L353 VanDerWaalsContact C-N 3.32Å; A351-L353 PolarHBondContact O-N 3.07Å; L353-C355 VanDerWaalsContact C-N 3.31Å; L353-C355 PolarHBondContact O-N 3.25Å; L353-G356 PolarHBondContact O-N 3.34Å; L353-L359 HydrophobicContact CD2-CD2 3.47Å; L353-L359 VanDerWaalsContact CD2-CD2 3.47Å; L353-M384 HydrophobicContact CD1-CG 3.81Å; L353-M384 HydrophobicContact CD1-SD 3.95Å; L353-A388 HydrophobicContact CB-CB 4.16Å; L353-A388 HydrophobicContact CD1-CB 3.82Å; L353-A388 HydrophobicContact CD2-CB 3.9Å; L353-A388 HydrophobicContact CG-CB 4.17Å; L353-F685 HydrophobicContact CB-CD2 4.03Å; L353-F685 HydrophobicContact CB-CE2 3.99Å; L353-F685 HydrophobicContact CD1-CD2 4.41Å
354	F	91.6	Very high	94.8	Very high	16 Å²	16	41.1 Å²	41.1	7%	0.07	21%	0.209	C	C	.	.	H	α-helix	trans	-65.4	-32.5	173.9	-77.6	-52.6	0	0	0	113.5	Y317 E350 A351 G356 L402 F683 F685	Y317-F354 HydrophobicContact CE1-CB 4.02Å; Y317-F354 VanDerWaalsContact OH-CD2 3.27Å; Y317-F354 WeakPolarHBondContact OH-CD2 3.42Å; E350-F354 HydrophobicContact CG-CD2 3.71Å; E350-F354 HydrophobicContact CG-CE2 3.4Å; E350-F354 HydrophobicContact CG-CZ 4.39Å; E350-F354 VanDerWaalsContact O-CD2 3.23Å; E350-F354 WeakPolarHBondContact O-CD2 3.48Å; E350-F354 PolarHBondContact O-N 2.77Å; A351-F354 PolarHBondContact O-N 3.15Å; F354-G356 PolarHBondContact O-N 2.91Å; F354-L402 HydrophobicContact CB-CD2 4.36Å; F354-L402 HydrophobicContact CD1-CD2 3.43Å; F354-L402 VanDerWaalsContact CD1-CD2 3.43Å; F354-L402 HydrophobicContact CE1-CD2 4.08Å; F354-L402 HydrophobicContact CG-CD2 4.25Å; F354-F683 AromaticContact CE1-CD1 3.71Å; F354-F683 HydrophobicContact CE1-CD1 3.71Å; F354-F683 AromaticContact CE1-CE1 3.8Å; F354-F683 HydrophobicContact CE1-CE1 3.8Å; F354-F683 HydrophobicContact CZ-CD1 4.11Å; F354-F683 HydrophobicContact CZ-CE1 4.4Å; F354-F683 WeakPolarHBondContact CZ-O 3.46Å; F354-F685 HydrophobicContact CD1-CD2 4.26Å; F354-F685 AromaticContact CD1-CE2 3.49Å; F354-F685 HydrophobicContact CD1-CE2 3.49Å; F354-F685 VanDerWaalsContact CD1-CE2 3.49Å; F354-F685 HydrophobicContact CD1-CZ 4.1Å; F354-F685 HydrophobicContact CD2-CE2 4.47Å; F354-F685 AromaticContact CE1-CD2 3.91Å; F354-F685 HydrophobicContact CE1-CD2 3.91Å; F354-F685 AromaticContact CE1-CE2 3.38Å; F354-F685 HydrophobicContact CE1-CE2 3.38Å; F354-F685 AromaticContact CE1-CZ 3.84Å; F354-F685 HydrophobicContact CE1-CZ 3.84Å; F354-F685 HydrophobicContact CE2-CD2 4.25Å; F354-F685 HydrophobicContact CE2-CE2 4.4Å; F354-F685 HydrophobicContact CG-CE2 4.06Å; F354-F685 AromaticContact CZ-CD2 3.91Å; F354-F685 HydrophobicContact CZ-CD2 3.91Å; F354-F685 AromaticContact CZ-CE2 3.88Å; F354-F685 HydrophobicContact CZ-CE2 3.88Å
355	C	92.8	Very high	94.7	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.014	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-5.7	171.3	-66.8	0	0	0	0	113.6	F320 L326 A351 L352 L353	F320-C355 HydrophobicContact CB-CB 4.45Å; F320-C355 HydrophobicContact CD1-CB 3.78Å; F320-C355 VanDerWaalsContact CD1-SG 3.59Å; F320-C355 HydrophobicContact CD2-CB 4.17Å; F320-C355 HydrophobicContact CE1-CB 3.98Å; F320-C355 HydrophobicContact CE2-CB 4.36Å; F320-C355 HydrophobicContact CG-CB 3.87Å; F320-C355 HydrophobicContact CZ-CB 4.26Å; F320-C355 WeakPolarHBondContact CZ-O 3.33Å; L326-C355 HydrophobicContact CD1-CB 4.15Å; L326-C355 HydrophobicContact CD2-CB 3.71Å; L326-C355 WeakPolarHBondContact CD2-O 3.23Å; A351-C355 PolarHBondContact O-N 3.07Å; A351-C355 PolarHBondContact O-SG 3.33Å; L352-C355 PolarHBondContact O-N 3.04Å; L353-C355 VanDerWaalsContact C-N 3.31Å; L353-C355 PolarHBondContact O-N 3.25Å
356	G	92.7	Very high	94.7	Very high	31 Å²	31	43.2 Å²	43.2	32%	0.32	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	32.2	179	0	0	0	0	0	114.2	L352 L353 F354 S358	L352-G356 PolarHBondContact O-N 3.02Å; L353-G356 PolarHBondContact O-N 3.34Å; F354-G356 PolarHBondContact O-N 2.91Å; G356-S358 PolarHBondContact O-N 2.97Å
357	A	96.4	Very high	94.9	Very high	6 Å²	6	42.9 Å²	42.9	5%	0.05	23%	0.229	C	C	.	.			trans	-59	135.9	178.4	0	0	0	0	0	111.2	L326 L337 L352 L359	L326-A357 HydrophobicContact CD1-CB 4.35Å; L326-A357 VanDerWaalsContact CD2-CA 3.43Å; L326-A357 HydrophobicContact CD2-CB 3.87Å; L326-A357 HydrophobicContact CG-CB 3.95Å; L337-A357 HydrophobicContact CB-CB 4.26Å; L337-A357 HydrophobicContact CD2-CB 4.01Å; L352-A357 HydrophobicContact CB-CB 4.03Å; L352-A357 WeakPolarHBondContact O-CB 3.35Å; L352-A357 PolarHBondContact O-N 3.17Å; A357-L359 PolarHBondContact O-N 3.26Å
358	S	95.7	Very high	95.2	Very high	39 Å²	39	40.1 Å²	40.1	27%	0.273	22%	0.218	S	C	.	.			trans	-66.7	131.9	180	-176.1	0	0	0	0	111.5	G356	G356-S358 PolarHBondContact O-N 2.97Å
359	L	95.6	Very high	95.4	Very high	20 Å²	20	40.1 Å²	40.1	11%	0.105	22%	0.218	C	C	.	.	S	Bend	trans	-92.4	-14.6	-180	-55.1	-176.4	0	0	0	113.4	L337 L353 A357 I385 D389	L337-L359 HydrophobicContact CD2-CD2 3.57Å; L353-L359 HydrophobicContact CD2-CD2 3.47Å; L353-L359 VanDerWaalsContact CD2-CD2 3.47Å; A357-L359 PolarHBondContact O-N 3.26Å; L359-I385 HydrophobicContact CD1-CG2 4.39Å; L359-I385 HydrophobicContact CD2-CG2 4.23Å; L359-D389 HydrophobicContact CD1-CB 3.53Å
360	D	94.7	Very high	95.4	Very high	130 Å²	130	40.9 Å²	40.9	70%	0.695	22%	0.221	S	C	*	.	S	Bend	trans	-98.1	-16.3	-170.1	-62.9	-46.9	0	0	0	113.4
361	L	95.8	Very high	95.6	Very high	68 Å²	68	42.4 Å²	42.4	36%	0.356	23%	0.229	S	C	.	.			trans	-62.1	144.3	177.2	-67.7	177.5	0	0	0	110.2	C327 T335 H338	C327-L361 HydrophobicContact CB-CD1 4.06Å; T335-L361 HydrophobicContact CG2-CB 4.16Å; T335-L361 HydrophobicContact CG2-CD1 3.7Å; H338-L361 PolarHBondContact CE1-O 3.49Å; H338-L361 VanDerWaalsContact CE1-O 3.23Å; H338-L361 PolarHBondContact NE2-O 2.82Å
362	K	96.6	Very high	95.7	Very high	123 Å²	123	43.4 Å²	43.4	54%	0.535	23%	0.234	S	C	.	.			trans	-117.2	138.2	-177.4	-66.9	179.5	178.5	-176.8	0	110.9	Q367 T368	K362-Q367 VanDerWaalsContact CA-O 3.27Å; K362-Q367 WeakPolarHBondContact CA-O 3.42Å; K362-T368 HydrophobicContact CG-CG2 3.86Å
363	D	96	Very high	95.8	Very high	11 Å²	11	43.4 Å²	43.4	6%	0.059	23%	0.234	C	C	.	.			trans	-72.9	-175.7	171	70.6	7.9	0	0	0	112.7	Q334 D365 S366 Q367	Q334-D363 HydrophobicContact CG-CB 3.79Å; D363-D365 PolarHBondContact O-N 3.06Å; D363-D365 WeakPolarHBondContact OD1-CA 3.33Å; D363-D365 PolarHBondContact OD1-N 3.19Å; D363-S366 WeakPolarHBondContact O-CA 3.07Å; D363-S366 PolarHBondContact O-N 3.37Å; D363-S366 PolarHBondContact OD1-N 3.35Å; D363-S366 VanDerWaalsContact OD1-N 3.14Å; D363-Q367 PolarHBondContact N-O 3.31Å; D363-Q367 WeakPolarHBondContact OD1-CB 3.45Å; D363-Q367 PolarHBondContact OD1-N 3.49Å
364	K	96.4	Very high	95.8	Very high	129 Å²	129	43.5 Å²	43.5	56%	0.561	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-30.6	178.5	-177.5	177.3	174.6	-173.8	0	113.4	D332 S366	D332-K364 WeakPolarHBondContact O-CB 3.27Å; D332-K364 PolarHBondContact O-N 3.37Å; D332-K364 IonicContact OD1-NZ 2.82Å; D332-K364 PolarHBondContact OD1-NZ 2.94Å; K364-S366 PolarHBondContact O-N 2.87Å
365	D	95.7	Very high	96	Very high	121 Å²	121	48 Å²	48	65%	0.647	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	14.6	176.1	-64.6	-35.3	0	0	0	112.8	D363 Q367	D363-D365 PolarHBondContact O-N 3.06Å; D363-D365 WeakPolarHBondContact OD1-CA 3.33Å; D363-D365 PolarHBondContact OD1-N 3.19Å; D365-Q367 HydrophobicContact CB-CG 4.03Å; D365-Q367 PolarHBondContact O-N 3.28Å; D365-Q367 PolarHBondContact O-NE2 3.08Å
366	S	96.2	Very high	96	Very high	74 Å²	74	50 Å²	50	52%	0.517	27%	0.271	S	S	.	.	S	Bend	trans	58.2	25.8	-178.6	-59.7	0	0	0	0	113.9	D363 K364	D363-S366 WeakPolarHBondContact O-CA 3.07Å; D363-S366 PolarHBondContact O-N 3.37Å; D363-S366 PolarHBondContact OD1-N 3.35Å; D363-S366 VanDerWaalsContact OD1-N 3.14Å; K364-S366 PolarHBondContact O-N 2.87Å
367	Q	96.7	Very high	96	Very high	32 Å²	32	52.8 Å²	52.8	15%	0.15	28%	0.279	C	S	.	.			trans	-91.4	136.8	177.7	-54.7	-57.6	-61.3	0	0	110.5	H338 K362 D363 D365 M371 I372	H338-Q367 PolarHBondContact NE2-O 3.4Å; H338-Q367 VanDerWaalsContact NE2-O 3.11Å; K362-Q367 VanDerWaalsContact CA-O 3.27Å; K362-Q367 WeakPolarHBondContact CA-O 3.42Å; D363-Q367 PolarHBondContact N-O 3.31Å; D363-Q367 WeakPolarHBondContact OD1-CB 3.45Å; D363-Q367 PolarHBondContact OD1-N 3.49Å; D365-Q367 HydrophobicContact CB-CG 4.03Å; D365-Q367 PolarHBondContact O-N 3.28Å; D365-Q367 PolarHBondContact O-NE2 3.08Å; Q367-M371 HydrophobicContact CB-CB 4.37Å; Q367-I372 HydrophobicContact CB-CD1 4.26Å; Q367-I372 HydrophobicContact CB-CG1 3.76Å; Q367-I372 HydrophobicContact CG-CG1 4.46Å
368	T	97.3	Very high	95.9	Very high	15 Å²	15	55.9 Å²	55.9	9%	0.092	29%	0.29	C	S	.	.			trans	-85.2	163.6	163.5	66.7	0	0	0	0	109.9	K362 L370 M371 I372	K362-T368 HydrophobicContact CG-CG2 3.86Å; T368-L370 PolarHBondContact O-N 3.02Å; T368-M371 HydrophobicContact CG2-CE 4.5Å; T368-M371 HydrophobicContact CG2-SD 4.5Å; T368-M371 WeakPolarHBondContact O-CB 3.48Å; T368-M371 PolarHBondContact O-N 3.45Å; T368-M371 WeakPolarHBondContact OG1-CG 3.42Å; T368-M371 PolarHBondContact OG1-N 3.49Å; T368-I372 PolarHBondContact O-N 3.05Å; T368-I372 VanDerWaalsContact O-N 3.1Å
369	P	97.7	Very high	95.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-55.2	-37.6	176.2	-26.4	35.8	0	0	0	112.8	L337 H338 V341 M371 I372 A373 I385	L337-P369 HydrophobicContact CB-CG 4.49Å; L337-P369 HydrophobicContact CD2-CB 4.12Å; L337-P369 HydrophobicContact CD2-CG 3.9Å; L337-P369 HydrophobicContact CG-CB 3.99Å; L337-P369 HydrophobicContact CG-CG 3.96Å; H338-P369 WeakPolarHBondContact NE2-CD 3.25Å; V341-P369 WeakPolarHBondContact CG1-O 3Å; V341-P369 HydrophobicContact CG2-CB 4.16Å; P369-M371 VanDerWaalsContact C-N 3.35Å; P369-M371 PolarHBondContact O-N 3.49Å; P369-I372 PolarHBondContact O-N 3.49Å; P369-A373 PolarHBondContact O-N 3.36Å; P369-I385 HydrophobicContact CB-CD1 4.42Å
370	L	97.6	Very high	95.6	Very high	15 Å²	15	58.1 Å²	58.1	8%	0.079	31%	0.308	C	S	.	.	H	α-helix	trans	-61.9	-40.5	175.5	-178	61.3	0	0	0	112.5	T368 A373 A374 V382 I385 I386 A729	T368-L370 PolarHBondContact O-N 3.02Å; L370-A373 PolarHBondContact O-N 3.11Å; L370-A374 WeakPolarHBondContact O-CB 3.38Å; L370-A374 PolarHBondContact O-N 3.03Å; L370-V382 HydrophobicContact CD1-CB 4.43Å; L370-V382 HydrophobicContact CD1-CG1 4.11Å; L370-V382 HydrophobicContact CD1-CG2 4.35Å; L370-I385 HydrophobicContact CB-CG2 4.09Å; L370-I385 HydrophobicContact CD1-CB 4.31Å; L370-I385 HydrophobicContact CD1-CG2 4.14Å; L370-I386 HydrophobicContact CD1-CD1 4.22Å; L370-I386 HydrophobicContact CD1-CG1 3.88Å; L370-I386 HydrophobicContact CD2-CG1 4.27Å; L370-A729 HydrophobicContact CD1-CB 3.87Å; L370-A729 HydrophobicContact CD2-CB 4.17Å; L370-A729 HydrophobicContact CG-CB 3.87Å
371	M	97.1	Very high	95.6	Very high	54 Å²	54	52 Å²	52	27%	0.266	28%	0.275	S	S	.	.	H	α-helix	trans	-67.2	-38.3	178.2	-65.8	175.5	-178.4	0	0	111.6	Q367 T368 P369 A374 K375	Q367-M371 HydrophobicContact CB-CB 4.37Å; T368-M371 HydrophobicContact CG2-CE 4.5Å; T368-M371 HydrophobicContact CG2-SD 4.5Å; T368-M371 WeakPolarHBondContact O-CB 3.48Å; T368-M371 PolarHBondContact O-N 3.45Å; T368-M371 WeakPolarHBondContact OG1-CG 3.42Å; T368-M371 PolarHBondContact OG1-N 3.49Å; P369-M371 VanDerWaalsContact C-N 3.35Å; P369-M371 PolarHBondContact O-N 3.49Å; M371-A374 PolarHBondContact O-N 3.49Å; M371-K375 WeakPolarHBondContact O-CB 3.39Å; M371-K375 WeakPolarHBondContact O-CG 3.43Å; M371-K375 PolarHBondContact O-N 3.16Å
372	I	96.9	Very high	95.7	Very high	22 Å²	22	48.7 Å²	48.7	11%	0.113	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-49.8	175.1	-61.9	177.2	0	0	0	110.2	H338 V341 Q367 T368 P369 A374 K375 A376	H338-I372 HydrophobicContact CB-CD1 4.3Å; V341-I372 HydrophobicContact CG1-CB 4.14Å; V341-I372 HydrophobicContact CG1-CG2 4.01Å; Q367-I372 HydrophobicContact CB-CD1 4.26Å; Q367-I372 HydrophobicContact CB-CG1 3.76Å; Q367-I372 HydrophobicContact CG-CG1 4.46Å; T368-I372 PolarHBondContact O-N 3.05Å; T368-I372 VanDerWaalsContact O-N 3.1Å; P369-I372 PolarHBondContact O-N 3.49Å; I372-A374 VanDerWaalsContact C-N 3.29Å; I372-A374 PolarHBondContact O-N 3.3Å; I372-K375 PolarHBondContact O-N 2.86Å; I372-A376 WeakPolarHBondContact O-CB 3.14Å; I372-A376 PolarHBondContact O-N 3.48Å
373	A	97.3	Very high	95.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58	-41.3	177.8	0	0	0	0	0	112.2	V341 P369 L370 N377 Y378 L381 V382 I385 Q733	V341-A373 HydrophobicContact CG1-CB 3.66Å; P369-A373 PolarHBondContact O-N 3.36Å; L370-A373 PolarHBondContact O-N 3.11Å; A373-N377 PolarHBondContact O-N 3.49Å; A373-Y378 PolarHBondContact O-N 3.49Å; A373-L381 HydrophobicContact CB-CB 4Å; A373-V382 HydrophobicContact CB-CG2 3.66Å; A373-I385 HydrophobicContact CB-CD1 4.19Å; A373-Q733 PolarHBondContact O-NE2 2.95Å
374	A	95.9	Very high	95.5	Very high	5 Å²	5	43.3 Å²	43.3	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-52.4	176.6	0	0	0	0	0	111.3	L370 M371 I372 A376 N377 V382 A729 Y732	L370-A374 WeakPolarHBondContact O-CB 3.38Å; L370-A374 PolarHBondContact O-N 3.03Å; M371-A374 PolarHBondContact O-N 3.49Å; I372-A374 VanDerWaalsContact C-N 3.29Å; I372-A374 PolarHBondContact O-N 3.3Å; A374-A376 VanDerWaalsContact C-N 3.31Å; A374-A376 PolarHBondContact O-N 2.96Å; A374-N377 PolarHBondContact O-N 2.92Å; A374-V382 HydrophobicContact CB-CG2 4.24Å; A374-A729 HydrophobicContact CB-CB 3.94Å; A374-Y732 HydrophobicContact CB-CD1 4.49Å; A374-Y732 HydrophobicContact CB-CG 4.49Å; A374-Y732 WeakPolarHBondContact O-CD1 3.43Å; A374-Y732 WeakPolarHBondContact O-CE1 3.49Å
375	K	94.1	Very high	95.5	Very high	112 Å²	112	37.3 Å²	37.3	49%	0.487	21%	0.209	S	C	.	.	H	α-helix	trans	-58.3	-40	179.8	-78.1	179.2	173.1	-177.5	0	113.3	M371 I372 N377 Y732	M371-K375 WeakPolarHBondContact O-CB 3.39Å; M371-K375 WeakPolarHBondContact O-CG 3.43Å; M371-K375 PolarHBondContact O-N 3.16Å; I372-K375 PolarHBondContact O-N 2.86Å; K375-N377 PolarHBondContact O-N 2.92Å; K375-Y732 VanDerWaalsContact CA-CE1 3.49Å
376	A	94.1	Very high	95.4	Very high	42 Å²	42	31.6 Å²	31.6	35%	0.347	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-0.9	177.9	0	0	0	0	0	113.7	I372 A374 Y378	I372-A376 WeakPolarHBondContact O-CB 3.14Å; I372-A376 PolarHBondContact O-N 3.48Å; A374-A376 VanDerWaalsContact C-N 3.31Å; A374-A376 PolarHBondContact O-N 2.96Å; A376-Y378 VanDerWaalsContact C-N 3.28Å; A376-Y378 HydrophobicContact CB-CD1 4.23Å; A376-Y378 HydrophobicContact CB-CD2 3.6Å; A376-Y378 HydrophobicContact CB-CE1 4.06Å; A376-Y378 HydrophobicContact CB-CE2 3.4Å; A376-Y378 VanDerWaalsContact CB-CE2 3.4Å; A376-Y378 HydrophobicContact CB-CG 4.02Å; A376-Y378 WeakPolarHBondContact O-CD1 3.38Å; A376-Y378 PolarHBondContact O-N 3.29Å
377	N	92	Very high	95.3	Very high	91 Å²	91	28.8 Å²	28.8	49%	0.487	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	33.3	-177.5	-163.2	43.5	0	0	0	114	A373 A374 K375 T379 Q733	A373-N377 PolarHBondContact O-N 3.49Å; A374-N377 PolarHBondContact O-N 2.92Å; K375-N377 PolarHBondContact O-N 2.92Å; N377-T379 PolarHBondContact O-N 3Å; N377-Q733 WeakPolarHBondContact OD1-CB 3.42Å; N377-Q733 WeakPolarHBondContact OD1-CG 3.39Å
378	Y	94.7	Very high	95.1	Very high	70 Å²	70	27.3 Å²	27.3	28%	0.275	15%	0.15	S	C	.	.			trans	-85.1	83.7	175.2	-58.9	-29.8	0	0	0	110.2	V341 S342 N344 A373 A376 A380 L381 V382 Q733	V341-Y378 WeakPolarHBondContact O-CD2 3.42Å; V341-Y378 VanDerWaalsContact O-CE2 3.29Å; V341-Y378 WeakPolarHBondContact O-CE2 3.5Å; S342-Y378 PolarHBondContact O-OH 2.96Å; N344-Y378 HydrophobicContact CB-CD1 4.26Å; N344-Y378 HydrophobicContact CB-CD2 4Å; N344-Y378 HydrophobicContact CB-CE1 4Å; N344-Y378 HydrophobicContact CB-CE2 3.72Å; N344-Y378 HydrophobicContact CB-CG 4.27Å; A373-Y378 PolarHBondContact O-N 3.49Å; A376-Y378 VanDerWaalsContact C-N 3.28Å; A376-Y378 HydrophobicContact CB-CD1 4.23Å; A376-Y378 HydrophobicContact CB-CD2 3.6Å; A376-Y378 HydrophobicContact CB-CE1 4.06Å; A376-Y378 HydrophobicContact CB-CE2 3.4Å; A376-Y378 VanDerWaalsContact CB-CE2 3.4Å; A376-Y378 HydrophobicContact CB-CG 4.02Å; A376-Y378 WeakPolarHBondContact O-CD1 3.38Å; A376-Y378 PolarHBondContact O-N 3.29Å; Y378-A380 PolarHBondContact O-N 3.24Å; Y378-L381 HydrophobicContact CD2-CD1 3.98Å; Y378-L381 HydrophobicContact CG-CD1 4.36Å; Y378-L381 PolarHBondContact O-N 3.16Å; Y378-V382 PolarHBondContact O-N 3.48Å; Y378-Q733 VanDerWaalsContact C-NE2 3.34Å; Y378-Q733 PolarHBondContact O-NE2 3.35Å
379	T	92.5	Very high	94.9	Very high	56 Å²	56	27.8 Å²	27.8	34%	0.344	15%	0.151	S	C	.	.	H	α-helix	trans	-59.5	-43.9	-173.2	57.9	0	0	0	0	113.4	N377 L381 V382 D383 Q733	N377-T379 PolarHBondContact O-N 3Å; T379-L381 VanDerWaalsContact C-N 3.32Å; T379-L381 PolarHBondContact O-N 2.82Å; T379-V382 PolarHBondContact O-N 3.19Å; T379-D383 PolarHBondContact O-N 3.33Å; T379-Q733 HydrophobicContact CG2-CB 4.28Å; T379-Q733 HydrophobicContact CG2-CG 4.44Å
380	A	92.3	Very high	94.5	Very high	51 Å²	51	29.3 Å²	29.3	42%	0.421	16%	0.157	S	C	.	.	H	α-helix	trans	-61.1	-39.5	177.9	0	0	0	0	0	112.5	L346 Y378 M384	L346-A380 HydrophobicContact CD1-CB 4.34Å; Y378-A380 PolarHBondContact O-N 3.24Å; A380-M384 VanDerWaalsContact O-CB 3.25Å; A380-M384 WeakPolarHBondContact O-CB 2.72Å; A380-M384 PolarHBondContact O-N 3.49Å
381	L	95.8	Very high	94.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-71.6	-39.6	177.9	-67.5	-173.5	0	0	0	112.5	V341 N344 L346 V349 A373 Y378 T379 D383 M384 I385	V341-L381 HydrophobicContact CB-CD1 4.42Å; V341-L381 HydrophobicContact CG1-CD1 4.18Å; V341-L381 HydrophobicContact CG2-CD1 4.48Å; N344-L381 WeakPolarHBondContact OD1-CD1 3.5Å; L346-L381 HydrophobicContact CD1-CD2 3.67Å; V349-L381 HydrophobicContact CB-CD2 3.98Å; V349-L381 HydrophobicContact CG1-CD2 4.01Å; V349-L381 HydrophobicContact CG2-CD1 4.47Å; V349-L381 HydrophobicContact CG2-CD2 3.92Å; A373-L381 HydrophobicContact CB-CB 4Å; Y378-L381 HydrophobicContact CD2-CD1 3.98Å; Y378-L381 HydrophobicContact CG-CD1 4.36Å; Y378-L381 PolarHBondContact O-N 3.16Å; T379-L381 VanDerWaalsContact C-N 3.32Å; T379-L381 PolarHBondContact O-N 2.82Å; L381-D383 VanDerWaalsContact C-N 3.35Å; L381-M384 PolarHBondContact O-N 3.31Å; L381-I385 WeakPolarHBondContact O-CB 3.45Å; L381-I385 WeakPolarHBondContact O-CD1 3.4Å; L381-I385 WeakPolarHBondContact O-CG1 3.2Å; L381-I385 PolarHBondContact O-N 3.5Å
382	V	96.3	Very high	93.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-57.8	-50	172.6	167.9	0	0	0	0	110.4	L370 A373 A374 Y378 T379 M384 I385 I386 A729 I730	L370-V382 HydrophobicContact CD1-CB 4.43Å; L370-V382 HydrophobicContact CD1-CG1 4.11Å; L370-V382 HydrophobicContact CD1-CG2 4.35Å; A373-V382 HydrophobicContact CB-CG2 3.66Å; A374-V382 HydrophobicContact CB-CG2 4.24Å; Y378-V382 PolarHBondContact O-N 3.48Å; T379-V382 PolarHBondContact O-N 3.19Å; V382-M384 VanDerWaalsContact C-N 3.34Å; V382-M384 PolarHBondContact O-N 3.08Å; V382-I385 PolarHBondContact O-N 3Å; V382-I386 HydrophobicContact CG1-CD1 3.78Å; V382-I386 VanDerWaalsContact O-CG1 3.27Å; V382-I386 WeakPolarHBondContact O-CG1 3.45Å; V382-I386 PolarHBondContact O-N 2.97Å; V382-I386 VanDerWaalsContact O-N 3.13Å; V382-A729 HydrophobicContact CG1-CB 4.06Å; V382-I730 HydrophobicContact CG1-CG1 4.39Å
383	D	94	Very high	93.2	Very high	19 Å²	19	34.2 Å²	34.2	10%	0.102	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-43.7	179.9	-70.6	5.7	0	0	0	111.3	T379 L381 R387 R746 I750	T379-D383 PolarHBondContact O-N 3.33Å; L381-D383 VanDerWaalsContact C-N 3.35Å; D383-R387 WeakPolarHBondContact O-CB 3.2Å; D383-R387 VanDerWaalsContact O-CG 3.22Å; D383-R387 WeakPolarHBondContact O-CG 3.19Å; D383-R387 PolarHBondContact O-N 2.98Å; D383-R746 IonicContact OD1-CZ 2.74Å; D383-R746 IonicContact OD1-NE 3.03Å; D383-R746 PolarHBondContact OD1-NE 2.61Å; D383-R746 IonicContact OD1-NH2 2.88Å; D383-R746 PolarHBondContact OD1-NH2 2.67Å; D383-R746 IonicContact OD2-NE 3.78Å; D383-I750 HydrophobicContact CB-CD1 4.26Å; D383-I750 HydrophobicContact CB-CG1 4.14Å
384	M	94.2	Very high	92.7	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-63.9	-47.2	-179.9	-171.6	-174.4	-58	0	0	112.7	L346 V349 E350 L353 A380 L381 V382 I386 R387 A388 F685 R686	L346-M384 HydrophobicContact CD1-CE 3.17Å; L346-M384 HydrophobicContact CG-CE 3.82Å; V349-M384 HydrophobicContact CB-SD 4.47Å; V349-M384 HydrophobicContact CG1-SD 3.88Å; E350-M384 HydrophobicContact CB-SD 3.82Å; E350-M384 HydrophobicContact CG-SD 4.48Å; L353-M384 HydrophobicContact CD1-CG 3.81Å; L353-M384 HydrophobicContact CD1-SD 3.95Å; A380-M384 VanDerWaalsContact O-CB 3.25Å; A380-M384 WeakPolarHBondContact O-CB 2.72Å; A380-M384 PolarHBondContact O-N 3.49Å; L381-M384 PolarHBondContact O-N 3.31Å; V382-M384 VanDerWaalsContact C-N 3.34Å; V382-M384 PolarHBondContact O-N 3.08Å; M384-I386 VanDerWaalsContact C-N 3.35Å; M384-I386 PolarHBondContact O-N 3.46Å; M384-R387 PolarHBondContact O-N 3.37Å; M384-A388 WeakPolarHBondContact O-CB 3.39Å; M384-A388 PolarHBondContact O-N 3.05Å; M384-F685 HydrophobicContact CG-CB 3.43Å; M384-F685 VanDerWaalsContact CG-CB 3.43Å; M384-F685 HydrophobicContact SD-CB 4.41Å; M384-R686 HydrophobicContact CE-CG 3.55Å
385	I	96.3	Very high	92.3	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-62.6	-43.7	-179.6	-68.7	165.3	0	0	0	110.3	V341 L359 P369 L370 A373 L381 V382 A388 D389	V341-I385 HydrophobicContact CG2-CD1 3.88Å; L359-I385 HydrophobicContact CD1-CG2 4.39Å; L359-I385 HydrophobicContact CD2-CG2 4.23Å; P369-I385 HydrophobicContact CB-CD1 4.42Å; L370-I385 HydrophobicContact CB-CG2 4.09Å; L370-I385 HydrophobicContact CD1-CB 4.31Å; L370-I385 HydrophobicContact CD1-CG2 4.14Å; A373-I385 HydrophobicContact CB-CD1 4.19Å; L381-I385 WeakPolarHBondContact O-CB 3.45Å; L381-I385 WeakPolarHBondContact O-CD1 3.4Å; L381-I385 WeakPolarHBondContact O-CG1 3.2Å; L381-I385 PolarHBondContact O-N 3.5Å; V382-I385 PolarHBondContact O-N 3Å; I385-A388 PolarHBondContact O-N 3.11Å; I385-D389 PolarHBondContact O-N 3.33Å
386	I	95.2	Very high	92.1	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-66.7	-40	178.3	-60.8	166.5	0	0	0	110.6	L370 V382 M384 D389 R390 F722 D726 I730 I750	L370-I386 HydrophobicContact CD1-CD1 4.22Å; L370-I386 HydrophobicContact CD1-CG1 3.88Å; L370-I386 HydrophobicContact CD2-CG1 4.27Å; V382-I386 HydrophobicContact CG1-CD1 3.78Å; V382-I386 VanDerWaalsContact O-CG1 3.27Å; V382-I386 WeakPolarHBondContact O-CG1 3.45Å; V382-I386 PolarHBondContact O-N 2.97Å; V382-I386 VanDerWaalsContact O-N 3.13Å; M384-I386 VanDerWaalsContact C-N 3.35Å; M384-I386 PolarHBondContact O-N 3.46Å; I386-D389 PolarHBondContact O-N 2.84Å; I386-R390 HydrophobicContact CG2-CG 4.35Å; I386-R390 WeakPolarHBondContact O-CB 3.24Å; I386-R390 VanDerWaalsContact O-CG 3.26Å; I386-R390 WeakPolarHBondContact O-CG 3.36Å; I386-R390 PolarHBondContact O-N 3.03Å; I386-F722 HydrophobicContact CG2-CD1 4.19Å; I386-F722 HydrophobicContact CG2-CE1 3.9Å; I386-D726 HydrophobicContact CD1-CB 4.06Å; I386-D726 HydrophobicContact CG1-CB 4.35Å; I386-D726 HydrophobicContact CG2-CB 4.36Å; I386-I730 HydrophobicContact CD1-CD1 4.09Å; I386-I730 HydrophobicContact CD1-CG1 3.98Å; I386-I750 HydrophobicContact CB-CG2 4.08Å; I386-I750 HydrophobicContact CD1-CD1 4.33Å; I386-I750 HydrophobicContact CG2-CG2 3.54Å
387	R	92.4	Very high	91.9	Very high	15 Å²	15	39.7 Å²	39.7	6%	0.057	21%	0.213	C	C	.	.	H	α-helix	trans	-61.1	-44.9	174.6	-75	172.2	-170.3	146.8	4.2	111.7	D383 M384 R390 W391 F685 R686 I750 H753	D383-R387 WeakPolarHBondContact O-CB 3.2Å; D383-R387 VanDerWaalsContact O-CG 3.22Å; D383-R387 WeakPolarHBondContact O-CG 3.19Å; D383-R387 PolarHBondContact O-N 2.98Å; M384-R387 PolarHBondContact O-N 3.37Å; R387-R390 PolarHBondContact O-N 2.75Å; R387-W391 VanDerWaalsContact O-CB 3.28Å; R387-W391 WeakPolarHBondContact O-CB 3.48Å; R387-W391 PolarHBondContact O-N 2.96Å; R387-F685 HydrophobicContact CB-CD1 4.46Å; R387-F685 WeakPolarHBondContact CD-O 3.47Å; R387-F685 PolarHBondContact NH1-O 2.88Å; R387-R686 PolarHBondContact NH1-O 3.44Å; R387-I750 HydrophobicContact CG-CB 4.41Å; R387-I750 HydrophobicContact CG-CG1 4.47Å; R387-I750 HydrophobicContact CG-CG2 4.02Å; R387-H753 HydrophobicContact CB-CB 4.43Å; R387-H753 HydrophobicContact CG-CB 3.85Å
388	A	92.8	Very high	91.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-45.4	178.3	0	0	0	0	0	112.3	L353 M384 I385 R390 W391 N392 F685	L353-A388 HydrophobicContact CB-CB 4.16Å; L353-A388 HydrophobicContact CD1-CB 3.82Å; L353-A388 HydrophobicContact CD2-CB 3.9Å; L353-A388 HydrophobicContact CG-CB 4.17Å; M384-A388 WeakPolarHBondContact O-CB 3.39Å; M384-A388 PolarHBondContact O-N 3.05Å; I385-A388 PolarHBondContact O-N 3.11Å; A388-R390 PolarHBondContact O-N 2.67Å; A388-W391 PolarHBondContact O-N 2.54Å; A388-N392 WeakPolarHBondContact O-CB 3.32Å; A388-N392 VanDerWaalsContact O-CG 3.23Å; A388-N392 PolarHBondContact O-N 2.75Å; A388-N392 PolarHBondContact O-ND2 2.97Å; A388-F685 HydrophobicContact CB-CD1 3.93Å; A388-F685 HydrophobicContact CB-CD2 4.07Å; A388-F685 HydrophobicContact CB-CE1 3.94Å; A388-F685 HydrophobicContact CB-CE2 4.05Å; A388-F685 HydrophobicContact CB-CG 4.01Å; A388-F685 HydrophobicContact CB-CZ 4Å
389	D	93.4	Very high	91.2	Very high	25 Å²	25	36.7 Å²	36.7	13%	0.134	20%	0.202	C	C	.	.	H	α-helix	trans	-57.3	-48.1	175.2	-178.4	46.9	0	0	0	111.9	L359 I385 I386 N392 K393	L359-D389 HydrophobicContact CD1-CB 3.53Å; I385-D389 PolarHBondContact O-N 3.33Å; I386-D389 PolarHBondContact O-N 2.84Å; D389-N392 PolarHBondContact O-N 3.5Å; D389-K393 WeakPolarHBondContact O-CG 3.37Å; D389-K393 PolarHBondContact O-N 3.22Å; D389-K393 VanDerWaalsContact O-N 3.11Å; D389-K393 WeakPolarHBondContact OD1-CE 3.43Å; D389-K393 IonicContact OD1-NZ 3.09Å; D389-K393 PolarHBondContact OD1-NZ 3.06Å; D389-K393 VanDerWaalsContact OD1-NZ 3.09Å; D389-K393 WeakPolarHBondContact OD2-CE 3.25Å; D389-K393 IonicContact OD2-NZ 3.49Å; D389-K393 PolarHBondContact OD2-NZ 3.14Å
390	R	90.8	Very high	91.1	Very high	32 Å²	32	38.6 Å²	38.6	12%	0.121	21%	0.207	C	C	.	.	H	α-helix	trans	-64.6	-42.8	178.5	-70.9	-179.8	65.9	76.3	6.4	111.8	I386 R387 A388 K393 T394 W720	I386-R390 HydrophobicContact CG2-CG 4.35Å; I386-R390 WeakPolarHBondContact O-CB 3.24Å; I386-R390 VanDerWaalsContact O-CG 3.26Å; I386-R390 WeakPolarHBondContact O-CG 3.36Å; I386-R390 PolarHBondContact O-N 3.03Å; R387-R390 PolarHBondContact O-N 2.75Å; A388-R390 PolarHBondContact O-N 2.67Å; R390-K393 PolarHBondContact O-N 2.92Å; R390-T394 WeakPolarHBondContact O-CB 3.23Å; R390-T394 PolarHBondContact O-N 2.69Å; R390-T394 PolarHBondContact O-OG1 2.73Å; R390-T394 VanDerWaalsContact O-OG1 3.04Å; R390-W720 PolarHBondContact NH1-O 2.98Å; R390-W720 VanDerWaalsContact NH1-O 3.13Å
391	W	87.7	Confident	90.9	Very high	21 Å²	21	42.2 Å²	42.2	8%	0.08	21%	0.214	C	C	.	.	H	α-helix	trans	-63.9	-42.9	178.6	-177.7	80.4	0	0	0	111.8	R387 A388 K393 T394 Y395 N398 A399 L402 F683 F685	R387-W391 VanDerWaalsContact O-CB 3.28Å; R387-W391 WeakPolarHBondContact O-CB 3.48Å; R387-W391 PolarHBondContact O-N 2.96Å; A388-W391 PolarHBondContact O-N 2.54Å; W391-K393 VanDerWaalsContact C-N 3.25Å; W391-K393 PolarHBondContact O-N 2.73Å; W391-T394 PolarHBondContact O-N 3.41Å; W391-Y395 AromaticContact CD1-CD2 3.27Å; W391-Y395 AromaticContact CD1-CE2 3.76Å; W391-Y395 HydrophobicContact CG-CD2 4.07Å; W391-Y395 AromaticContact NE1-CD2 3.44Å; W391-Y395 PolarHBondContact O-N 2.81Å; W391-N398 HydrophobicContact CZ2-CB 4.17Å; W391-A399 HydrophobicContact CE3-CB 4.12Å; W391-A399 HydrophobicContact CH2-CB 3.92Å; W391-A399 HydrophobicContact CZ3-CB 3.46Å; W391-A399 VanDerWaalsContact CZ3-CB 3.46Å; W391-L402 HydrophobicContact CH2-CD2 4.3Å; W391-F683 HydrophobicContact CB-CZ 4.38Å; W391-F683 AromaticContact CD1-CE2 3.61Å; W391-F683 AromaticContact CD1-CZ 3.19Å; W391-F683 AromaticContact CD2-CE1 3.8Å; W391-F683 HydrophobicContact CD2-CE1 3.8Å; W391-F683 AromaticContact CD2-CZ 3.55Å; W391-F683 HydrophobicContact CD2-CZ 3.55Å; W391-F683 AromaticContact CE2-CE1 3.49Å; W391-F683 VanDerWaalsContact CE2-CE1 3.49Å; W391-F683 AromaticContact CE2-CZ 3.31Å; W391-F683 HydrophobicContact CE3-CE1 4.28Å; W391-F683 HydrophobicContact CE3-CZ 4.41Å; W391-F683 HydrophobicContact CG-CE1 4.22Å; W391-F683 HydrophobicContact CG-CE2 4.32Å; W391-F683 AromaticContact CG-CZ 3.48Å; W391-F683 HydrophobicContact CG-CZ 3.48Å; W391-F683 VanDerWaalsContact CG-CZ 3.48Å; W391-F683 HydrophobicContact CH2-CE1 4.18Å; W391-F683 HydrophobicContact CZ2-CD1 4.32Å; W391-F683 AromaticContact CZ2-CE1 3.71Å; W391-F683 HydrophobicContact CZ2-CE1 3.71Å; W391-F683 AromaticContact CZ2-CZ 4Å; W391-F683 HydrophobicContact CZ2-CZ 4Å; W391-F683 HydrophobicContact CZ3-CE1 4.45Å; W391-F683 AromaticContact NE1-CE1 3.76Å; W391-F683 AromaticContact NE1-CE2 3.47Å; W391-F683 AromaticContact NE1-CZ 3.09Å; W391-F685 HydrophobicContact CB-CE1 3.8Å; W391-F685 AromaticContact CD2-CE1 3.94Å; W391-F685 HydrophobicContact CD2-CE1 3.94Å; W391-F685 HydrophobicContact CD2-CZ 4.11Å; W391-F685 AromaticContact CE3-CE1 3.86Å; W391-F685 HydrophobicContact CE3-CE1 3.86Å; W391-F685 AromaticContact CE3-CZ 3.58Å; W391-F685 HydrophobicContact CE3-CZ 3.58Å; W391-F685 AromaticContact CG-CE1 3.93Å; W391-F685 HydrophobicContact CG-CE1 3.93Å; W391-F685 HydrophobicContact CZ3-CZ 4.04Å
392	N	88.6	Confident	90.4	Very high	47 Å²	47	43.6 Å²	43.6	25%	0.251	22%	0.221	S	C	.	.	H	α-helix	trans	-59.9	-36.4	175.2	-73.6	-19.2	0	0	0	112	A388 D389 P396	A388-N392 WeakPolarHBondContact O-CB 3.32Å; A388-N392 VanDerWaalsContact O-CG 3.23Å; A388-N392 PolarHBondContact O-N 2.75Å; A388-N392 PolarHBondContact O-ND2 2.97Å; D389-N392 PolarHBondContact O-N 3.5Å; N392-P396 WeakPolarHBondContact O-CA 3.2Å
393	K	88	Confident	90.1	Very high	127 Å²	127	45 Å²	45	55%	0.552	23%	0.228	S	C	*	.	H	α-helix	trans	-73.3	-39.6	176.1	-71.9	167.9	-178.5	166.7	0	113	D389 R390 W391	D389-K393 WeakPolarHBondContact O-CG 3.37Å; D389-K393 PolarHBondContact O-N 3.22Å; D389-K393 VanDerWaalsContact O-N 3.11Å; D389-K393 WeakPolarHBondContact OD1-CE 3.43Å; D389-K393 IonicContact OD1-NZ 3.09Å; D389-K393 PolarHBondContact OD1-NZ 3.06Å; D389-K393 VanDerWaalsContact OD1-NZ 3.09Å; D389-K393 WeakPolarHBondContact OD2-CE 3.25Å; D389-K393 IonicContact OD2-NZ 3.49Å; D389-K393 PolarHBondContact OD2-NZ 3.14Å; R390-K393 PolarHBondContact O-N 2.92Å; W391-K393 VanDerWaalsContact C-N 3.25Å; W391-K393 PolarHBondContact O-N 2.73Å
394	T	86.6	Confident	89.9	Confident	49 Å²	49	47 Å²	47	30%	0.301	24%	0.239	S	C	.	.	H	α-helix	trans	-77.2	-38.6	-178.1	-59.8	0	0	0	0	112.2	R390 W391 P396 N756	R390-T394 WeakPolarHBondContact O-CB 3.23Å; R390-T394 PolarHBondContact O-N 2.69Å; R390-T394 PolarHBondContact O-OG1 2.73Å; R390-T394 VanDerWaalsContact O-OG1 3.04Å; W391-T394 PolarHBondContact O-N 3.41Å; T394-P396 WeakPolarHBondContact O-CD 3.43Å; T394-N756 WeakPolarHBondContact CG2-OD1 3.34Å
395	Y	86.5	Confident	89.5	Confident	38 Å²	38	51.2 Å²	51.2	15%	0.149	26%	0.259	C	S	.	.			trans	-126.8	56.2	-173.4	-52.8	-80.5	0	0	0	112.9	W391 V397 N398 A399 V755 N756	W391-Y395 AromaticContact CD1-CD2 3.27Å; W391-Y395 AromaticContact CD1-CE2 3.76Å; W391-Y395 HydrophobicContact CG-CD2 4.07Å; W391-Y395 AromaticContact NE1-CD2 3.44Å; W391-Y395 PolarHBondContact O-N 2.81Å; Y395-V397 VanDerWaalsContact C-N 3.27Å; Y395-V397 PolarHBondContact O-N 3.1Å; Y395-N398 PolarHBondContact O-N 3.07Å; Y395-N398 VanDerWaalsContact O-N 3.07Å; Y395-A399 PolarHBondContact O-N 3.41Å; Y395-V755 PolarHBondContact OH-O 3.49Å; Y395-N756 VanDerWaalsContact OH-CA 3.32Å; Y395-N756 WeakPolarHBondContact OH-CA 3.31Å
396	P	89.8	Confident	89	Confident	75 Å²	75	51.3 Å²	51.3	49%	0.487	26%	0.259	S	S	.	.	H	α-helix	trans	-61.1	-34.8	-174	24.6	-34.8	0	0	0	112.9	N392 T394 A399 Q400	N392-P396 WeakPolarHBondContact O-CA 3.2Å; T394-P396 WeakPolarHBondContact O-CD 3.43Å; P396-A399 PolarHBondContact O-N 2.94Å; P396-Q400 WeakPolarHBondContact O-CB 3.46Å; P396-Q400 PolarHBondContact O-N 3.35Å
397	V	89.4	Confident	88.6	Confident	112 Å²	112	54.4 Å²	54.4	68%	0.679	28%	0.275	S	S	*	.	H	α-helix	trans	-66.5	-40.4	177.6	-179.2	0	0	0	0	111.1	Y395 K401	Y395-V397 VanDerWaalsContact C-N 3.27Å; Y395-V397 PolarHBondContact O-N 3.1Å; V397-K401 VanDerWaalsContact O-CB 3.3Å; V397-K401 WeakPolarHBondContact O-CB 3.36Å; V397-K401 PolarHBondContact O-N 3.33Å
398	N	85.9	Confident	88.2	Confident	89 Å²	89	60.2 Å²	60.2	48%	0.476	30%	0.303	S	S	.	.	H	α-helix	trans	-71.8	-40.1	179.3	-63.7	17.9	0	0	0	110.8	W391 Y395 K401 L402	W391-N398 HydrophobicContact CZ2-CB 4.17Å; Y395-N398 PolarHBondContact O-N 3.07Å; Y395-N398 VanDerWaalsContact O-N 3.07Å; N398-K401 PolarHBondContact O-N 3.26Å; N398-L402 WeakPolarHBondContact O-CB 3.4Å; N398-L402 PolarHBondContact O-N 2.98Å
399	A	86.6	Confident	87.2	Confident	8 Å²	8	62.4 Å²	62.4	7%	0.066	32%	0.317	C	S	.	.	H	α-helix	trans	-59	-49.4	174.3	0	0	0	0	0	111.1	W391 Y395 P396 K401 L402 I403	W391-A399 HydrophobicContact CE3-CB 4.12Å; W391-A399 HydrophobicContact CH2-CB 3.92Å; W391-A399 HydrophobicContact CZ3-CB 3.46Å; W391-A399 VanDerWaalsContact CZ3-CB 3.46Å; Y395-A399 PolarHBondContact O-N 3.41Å; P396-A399 PolarHBondContact O-N 2.94Å; A399-K401 PolarHBondContact O-N 3.09Å; A399-L402 PolarHBondContact O-N 2.98Å; A399-I403 WeakPolarHBondContact O-CG1 3.28Å; A399-I403 PolarHBondContact O-N 2.71Å
400	Q	90.9	Very high	85.4	Confident	96 Å²	96	68.4 Å²	68.4	45%	0.449	34%	0.344	S	S	.	.	H	α-helix	trans	-63.1	-42.5	177.5	-172.6	59.1	50.9	0	0	111.9	P396 L402 I403 D404	P396-Q400 WeakPolarHBondContact O-CB 3.46Å; P396-Q400 PolarHBondContact O-N 3.35Å; Q400-L402 VanDerWaalsContact C-N 3.3Å; Q400-L402 PolarHBondContact O-N 2.8Å; Q400-I403 PolarHBondContact O-N 2.69Å; Q400-D404 PolarHBondContact NE2-OD1 3.35Å; Q400-D404 WeakPolarHBondContact O-CB 3.46Å; Q400-D404 PolarHBondContact O-N 3.48Å
401	K	88.4	Confident	83.6	Confident	127 Å²	127	71 Å²	71	55%	0.552	36%	0.357	S	S	*	.	H	α-helix	trans	-58.9	-42.1	176.6	-173.2	-172.6	-179.7	-149.8	0	111.8	V397 N398 A399 D404 E405	V397-K401 VanDerWaalsContact O-CB 3.3Å; V397-K401 WeakPolarHBondContact O-CB 3.36Å; V397-K401 PolarHBondContact O-N 3.33Å; N398-K401 PolarHBondContact O-N 3.26Å; A399-K401 PolarHBondContact O-N 3.09Å; K401-D404 PolarHBondContact O-N 3.41Å; K401-E405 WeakPolarHBondContact CE-OE1 3.41Å; K401-E405 IonicContact NZ-OE1 2.67Å; K401-E405 PolarHBondContact NZ-OE1 3.06Å; K401-E405 WeakPolarHBondContact O-CB 3.2Å; K401-E405 VanDerWaalsContact O-CG 3.31Å; K401-E405 WeakPolarHBondContact O-CG 3.49Å; K401-E405 PolarHBondContact O-N 3.27Å
402	L	85.6	Confident	81.4	Confident	29 Å²	29	74.5 Å²	74.5	15%	0.152	38%	0.381	C	S	.	.	H	α-helix	trans	-64.1	-45.1	177.2	-179.1	64.9	0	0	0	111.6	F354 W391 N398 A399 Q400 D404 E405 I406 L677	F354-L402 HydrophobicContact CB-CD2 4.36Å; F354-L402 HydrophobicContact CD1-CD2 3.43Å; F354-L402 VanDerWaalsContact CD1-CD2 3.43Å; F354-L402 HydrophobicContact CE1-CD2 4.08Å; F354-L402 HydrophobicContact CG-CD2 4.25Å; W391-L402 HydrophobicContact CH2-CD2 4.3Å; N398-L402 WeakPolarHBondContact O-CB 3.4Å; N398-L402 PolarHBondContact O-N 2.98Å; A399-L402 PolarHBondContact O-N 2.98Å; Q400-L402 VanDerWaalsContact C-N 3.3Å; Q400-L402 PolarHBondContact O-N 2.8Å; L402-D404 VanDerWaalsContact C-N 3.3Å; L402-D404 PolarHBondContact O-N 2.96Å; L402-E405 PolarHBondContact O-N 3.47Å; L402-I406 HydrophobicContact CD1-CD1 4.45Å; L402-I406 HydrophobicContact CG-CD1 4.16Å; L402-I406 VanDerWaalsContact O-CG1 3.31Å; L402-I406 WeakPolarHBondContact O-CG1 3.33Å; L402-I406 PolarHBondContact O-N 2.9Å; L402-L677 HydrophobicContact CD1-CD2 3.75Å
403	I	89.7	Confident	79.1	Confident	30 Å²	30	80.3 Å²	80.3	15%	0.154	40%	0.404	C	S	.	.	H	α-helix	trans	-57.9	-46.2	175	-69.4	167.2	0	0	0	110.4	F320 A399 Q400 I406 L407	F320-I403 HydrophobicContact CE1-CG2 4.02Å; F320-I403 HydrophobicContact CZ-CG2 3.92Å; A399-I403 WeakPolarHBondContact O-CG1 3.28Å; A399-I403 PolarHBondContact O-N 2.71Å; Q400-I403 PolarHBondContact O-N 2.69Å; I403-I406 PolarHBondContact O-N 3.16Å; I403-L407 HydrophobicContact CG2-CD1 3.97Å; I403-L407 WeakPolarHBondContact O-CG 3.34Å; I403-L407 PolarHBondContact O-N 3.46Å
404	D	89.3	Confident	77	Confident	62 Å²	62	79.3 Å²	79.3	33%	0.332	40%	0.398	S	S	.	.	H	α-helix	trans	-64.1	-41.3	178.5	-67.3	-18.7	0	0	0	111.5	Q400 K401 L402 L407 Q408	Q400-D404 PolarHBondContact NE2-OD1 3.35Å; Q400-D404 WeakPolarHBondContact O-CB 3.46Å; Q400-D404 PolarHBondContact O-N 3.48Å; K401-D404 PolarHBondContact O-N 3.41Å; L402-D404 VanDerWaalsContact C-N 3.3Å; L402-D404 PolarHBondContact O-N 2.96Å; D404-L407 PolarHBondContact O-N 3.22Å; D404-Q408 WeakPolarHBondContact O-CB 3.23Å; D404-Q408 WeakPolarHBondContact O-CG 3.32Å; D404-Q408 PolarHBondContact O-N 3.48Å
405	E	86.6	Confident	74.6	Confident	89 Å²	89	82.9 Å²	82.9	42%	0.416	42%	0.419	S	S	.	.	H	α-helix	trans	-60.1	-44.9	174.7	-78	175.1	-170.9	0	0	111.1	K401 L402 Q408 T409	K401-E405 WeakPolarHBondContact CE-OE1 3.41Å; K401-E405 IonicContact NZ-OE1 2.67Å; K401-E405 PolarHBondContact NZ-OE1 3.06Å; K401-E405 WeakPolarHBondContact O-CB 3.2Å; K401-E405 VanDerWaalsContact O-CG 3.31Å; K401-E405 WeakPolarHBondContact O-CG 3.49Å; K401-E405 PolarHBondContact O-N 3.27Å; L402-E405 PolarHBondContact O-N 3.47Å; E405-Q408 CarbonylContact O-C 3.32Å; E405-Q408 PolarHBondContact O-N 3.42Å; E405-T409 WeakPolarHBondContact O-CG2 3.36Å; E405-T409 PolarHBondContact O-N 3.19Å
406	I	84.3	Confident	72.3	Confident	5 Å²	5	83.9 Å²	83.9	3%	0.026	43%	0.429	C	S	.	.	H	α-helix	trans	-64	-45.9	176.6	-62	163.2	0	0	0	110.4	Y317 F320 S321 L402 I403 Q408 T409 L677	Y317-I406 HydrophobicContact CD1-CD1 4.09Å; Y317-I406 HydrophobicContact CD1-CG2 4.2Å; Y317-I406 HydrophobicContact CE1-CD1 4.02Å; F320-I406 HydrophobicContact CD1-CB 4.42Å; F320-I406 HydrophobicContact CD1-CG2 3.75Å; F320-I406 HydrophobicContact CE1-CG2 4.38Å; S321-I406 WeakPolarHBondContact CB-O 3.46Å; L402-I406 HydrophobicContact CD1-CD1 4.45Å; L402-I406 HydrophobicContact CG-CD1 4.16Å; L402-I406 VanDerWaalsContact O-CG1 3.31Å; L402-I406 WeakPolarHBondContact O-CG1 3.33Å; L402-I406 PolarHBondContact O-N 2.9Å; I403-I406 PolarHBondContact O-N 3.16Å; I406-Q408 PolarHBondContact O-N 3.14Å; I406-T409 PolarHBondContact O-N 2.77Å; I406-T409 PolarHBondContact O-OG1 3.21Å; I406-L677 HydrophobicContact CG1-CD2 4.18Å
407	L	88.4	Confident	70.2	Confident	66 Å²	66	84.8 Å²	84.8	35%	0.346	43%	0.433	S	S	.	.	H	α-helix	trans	-65.1	-28.7	177.3	-71.3	173.2	0	0	0	113	F320 I403 D404	F320-L407 HydrophobicContact CD1-CD2 3.98Å; F320-L407 HydrophobicContact CD1-CG 4.33Å; F320-L407 HydrophobicContact CE1-CD1 4.33Å; F320-L407 HydrophobicContact CE1-CD2 3.72Å; F320-L407 HydrophobicContact CE1-CG 3.72Å; F320-L407 HydrophobicContact CE2-CD2 4.35Å; F320-L407 HydrophobicContact CG-CD2 4.41Å; F320-L407 HydrophobicContact CZ-CD1 4.25Å; F320-L407 HydrophobicContact CZ-CD2 3.93Å; F320-L407 HydrophobicContact CZ-CG 4.08Å; F320-L407 VanDerWaalsContact O-CD2 3.3Å; F320-L407 WeakPolarHBondContact O-CD2 3.42Å; I403-L407 HydrophobicContact CG2-CD1 3.97Å; I403-L407 WeakPolarHBondContact O-CG 3.34Å; I403-L407 PolarHBondContact O-N 3.46Å; D404-L407 PolarHBondContact O-N 3.22Å
408	Q	83.4	Confident	68.5	Low	138 Å²	138	86.7 Å²	86.7	65%	0.645	43%	0.428	S	S	*	.	H	α-helix	trans	-87.3	-4	178.2	-74.1	178.3	33.6	0	0	114.2	D404 E405 I406 Q410	D404-Q408 WeakPolarHBondContact O-CB 3.23Å; D404-Q408 WeakPolarHBondContact O-CG 3.32Å; D404-Q408 PolarHBondContact O-N 3.48Å; E405-Q408 CarbonylContact O-C 3.32Å; E405-Q408 PolarHBondContact O-N 3.42Å; I406-Q408 PolarHBondContact O-N 3.14Å; Q408-Q410 WeakPolarHBondContact O-CG 3.27Å; Q408-Q410 PolarHBondContact O-N 3.44Å
409	T	71	Confident	67.2	Low	46 Å²	46	85.5 Å²	85.5	28%	0.282	42%	0.421	S	S	.	.			trans	-62.8	79.5	170.3	51.3	0	0	0	0	109.5	E405 I406 Q411 Y675	E405-T409 WeakPolarHBondContact O-CG2 3.36Å; E405-T409 PolarHBondContact O-N 3.19Å; I406-T409 PolarHBondContact O-N 2.77Å; I406-T409 PolarHBondContact O-OG1 3.21Å; T409-Q411 PolarHBondContact O-N 3.36Å; T409-Y675 WeakPolarHBondContact CG2-O 3.47Å
410	Q	56.2	Low	65.9	Low	150 Å²	150	88.1 Å²	88.1	70%	0.701	43%	0.434	S	S	*	.			trans	-79.4	121.2	-175.4	-73.6	-135.3	-9.4	0	0	108.5	Q408	Q408-Q410 WeakPolarHBondContact O-CG 3.27Å; Q408-Q410 PolarHBondContact O-N 3.44Å
411	Q	52	Low	63.7	Low	88 Å²	88	88.1 Å²	88.1	41%	0.411	44%	0.437	S	S	.	.			trans	44.2	98.5	131	-45.4	-167.4	-4.4	0	0	113.4	T409 K413	T409-Q411 PolarHBondContact O-N 3.36Å; Q411-K413 HydrophobicContact CB-CB 4.36Å; Q411-K413 PolarHBondContact O-N 3.06Å
412	T	42.1	Very low	61.4	Low	94 Å²	94	91.1 Å²	91.1	58%	0.577	45%	0.445	S	S	*	.			trans	-53.9	92.7	131.9	45.5	0	0	0	0	105.2	Y414	T412-Y414 WeakPolarHBondContact O-CD2 3.32Å; T412-Y414 PolarHBondContact O-N 3.46Å; T412-Y414 WeakPolarHBondContact OG1-CE2 3.43Å
413	K	40.6	Very low	59.1	Low	169 Å²	169	98.6 Å²	98.6	74%	0.735	48%	0.476	S	S	*	.			trans	-70.2	81.6	177	-153.7	-178.3	-167.8	-179.3	0	104.1	Q411 V415	Q411-K413 HydrophobicContact CB-CB 4.36Å; Q411-K413 PolarHBondContact O-N 3.06Å; K413-V415 PolarHBondContact O-N 3.02Å
414	Y	44	Very low	56.5	Low	106 Å²	106	104.9 Å²	104.9	42%	0.416	51%	0.505	S	S	.	.			trans	-59	112.5	169.9	-62.9	-82.2	0	0	0	104.2	K281 T412 T416	K281-Y414 HydrophobicContact CD-CD2 4.03Å; K281-Y414 HydrophobicContact CD-CE2 3.64Å; T412-Y414 WeakPolarHBondContact O-CD2 3.32Å; T412-Y414 PolarHBondContact O-N 3.46Å; T412-Y414 WeakPolarHBondContact OG1-CE2 3.43Å; Y414-T416 PolarHBondContact O-N 3.06Å; Y414-T416 PolarHBondContact O-OG1 2.92Å
415	V	36.7	Very low	53.8	Low	123 Å²	123	107.6 Å²	107.6	75%	0.745	52%	0.524	S	S	*	.			trans	-61.1	94.8	172.2	177.4	0	0	0	0	105.2	K413 T417	K413-V415 PolarHBondContact O-N 3.02Å; V415-T417 HydrophobicContact CG1-CG2 4.36Å; V415-T417 PolarHBondContact O-N 3.36Å; V415-T417 VanDerWaalsContact O-N 3.1Å
416	T	38.2	Very low	51.3	Low	59 Å²	59	109 Å²	109	36%	0.362	53%	0.534	S	S	.	.			trans	-84.9	74	176.8	36.2	0	0	0	0	106.5	R251 Y414 R418	R251-T416 VanDerWaalsContact NH1-CG2 3.34Å; Y414-T416 PolarHBondContact O-N 3.06Å; Y414-T416 PolarHBondContact O-OG1 2.92Å; T416-R418 PolarHBondContact O-N 3.27Å
417	T	46	Very low	48.8	Very low	94 Å²	94	111.8 Å²	111.8	58%	0.577	55%	0.554	S	S	*	*			trans	-58.8	121.1	155.8	34.1	0	0	0	0	106.6	V415 I419	V415-T417 HydrophobicContact CG1-CG2 4.36Å; V415-T417 PolarHBondContact O-N 3.36Å; V415-T417 VanDerWaalsContact O-N 3.1Å; T417-I419 PolarHBondContact O-N 3.4Å; T417-I419 VanDerWaalsContact O-N 3.11Å
418	R	52.4	Low	46.2	Very low	153 Å²	153	117.9 Å²	117.9	58%	0.577	58%	0.581	S	S	*	*			trans	-58	117.6	172.1	-82	175.4	174.4	-175.6	-0.4	107.5	T416 L420 D421	T416-R418 PolarHBondContact O-N 3.27Å; R418-L420 PolarHBondContact O-N 3.44Å; R418-D421 HydrophobicContact CB-CB 3.8Å; R418-D421 WeakPolarHBondContact CD-OD2 3.33Å; R418-D421 IonicContact CZ-OD2 2.65Å; R418-D421 IonicContact NE-OD2 3.09Å; R418-D421 IonicContact NH1-OD2 2.67Å; R418-D421 PolarHBondContact NH1-OD2 2.76Å; R418-D421 PolarHBondContact O-N 3.21Å; R418-D421 VanDerWaalsContact O-N 3.14Å
419	I	59.9	Low	43.9	Very low	64 Å²	64	115.8 Å²	115.8	33%	0.328	58%	0.581	S	S	.	*	G	3₁₀ helix	trans	-63.1	-35.9	-176.6	-62.2	174.9	0	0	0	108.7	L252 E255 T417 D421	L252-I419 HydrophobicContact CD2-CB 4.12Å; L252-I419 HydrophobicContact CD2-CD1 4.2Å; L252-I419 HydrophobicContact CD2-CG2 4.08Å; E255-I419 PolarHBondContact OE1-N 2.93Å; E255-I419 PolarHBondContact OE2-N 2.73Å; T417-I419 PolarHBondContact O-N 3.4Å; T417-I419 VanDerWaalsContact O-N 3.11Å; I419-D421 PolarHBondContact O-N 2.95Å
420	L	58.5	Low	41.9	Very low	63 Å²	63	121.2 Å²	121.2	33%	0.33	60%	0.598	S	S	.	*	G	3₁₀ helix	trans	-72.2	-22.1	178.3	-56.6	-175.9	0	0	0	114.6	Y215 L252 E255 A256 R418	Y215-L420 HydrophobicContact CD2-CD2 4.04Å; Y215-L420 HydrophobicContact CE2-CD2 3.63Å; L252-L420 HydrophobicContact CD2-CD2 4.33Å; E255-L420 HydrophobicContact CB-CD1 3.71Å; E255-L420 HydrophobicContact CB-CG 4.11Å; E255-L420 PolarHBondContact OE2-N 3.12Å; A256-L420 HydrophobicContact CB-CD1 4.22Å; R418-L420 PolarHBondContact O-N 3.44Å
421	D	44.9	Very low	40.6	Very low	96 Å²	96	123.8 Å²	123.8	51%	0.513	60%	0.601	S	S	.	*	G	3₁₀ helix	trans	-89.9	0.8	-177.9	-78.5	-19.9	0	0	0	113.5	R418 I419 K423	R418-D421 HydrophobicContact CB-CB 3.8Å; R418-D421 WeakPolarHBondContact CD-OD2 3.33Å; R418-D421 IonicContact CZ-OD2 2.65Å; R418-D421 IonicContact NE-OD2 3.09Å; R418-D421 IonicContact NH1-OD2 2.67Å; R418-D421 PolarHBondContact NH1-OD2 2.76Å; R418-D421 PolarHBondContact O-N 3.21Å; R418-D421 VanDerWaalsContact O-N 3.14Å; I419-D421 PolarHBondContact O-N 2.95Å; D421-K423 PolarHBondContact O-N 3.15Å
422	R	39.9	Very low	39.7	Very low	189 Å²	189	125.1 Å²	125.1	71%	0.713	62%	0.615	S	S	*	*			trans	-63.4	79.5	167.2	-96.8	-172.4	174.8	-173.8	-2.1	109.1	Q424	R422-Q424 VanDerWaalsContact C-N 3.29Å; R422-Q424 PolarHBondContact O-N 3.39Å
423	K	36.7	Very low	39.3	Very low	186 Å²	186	127.9 Å²	127.9	81%	0.809	62%	0.615	S	S	*	*			trans	-61.6	93.8	161.7	-73.7	-173.3	178.4	-178.5	0	107.6	D421 T425	D421-K423 PolarHBondContact O-N 3.15Å; K423-T425 PolarHBondContact O-N 3.27Å
424	Q	35.9	Very low	38.7	Very low	162 Å²	162	126.7 Å²	126.7	76%	0.757	61%	0.612	S	S	*	*	S	Bend	trans	39	49.3	145.6	-64.1	-178.8	-18.8	0	0	117.9	R422	R422-Q424 VanDerWaalsContact C-N 3.29Å; R422-Q424 PolarHBondContact O-N 3.39Å
425	T	32.3	Very low	38.2	Very low	120 Å²	120	127.8 Å²	127.8	74%	0.736	62%	0.624	S	S	*	*			trans	-96.1	-9.7	167.1	54.3	0	0	0	0	114.3	K423 S427	K423-T425 PolarHBondContact O-N 3.27Å; T425-S427 VanDerWaalsContact C-N 3.34Å; T425-S427 PolarHBondContact O-N 2.93Å
426	N	33.2	Very low	38.1	Very low	118 Å²	118	127.6 Å²	127.6	63%	0.631	62%	0.618	S	S	*	*			trans	-95.5	64.6	167.9	-75.2	10.6	0	0	0	110.4	Q428	N426-Q428 PolarHBondContact O-N 3.31Å; N426-Q428 VanDerWaalsContact O-N 3.15Å
427	S	33.4	Very low	37.9	Very low	64 Å²	64	128.9 Å²	128.9	45%	0.448	63%	0.629	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78	18.9	-177.5	55.6	0	0	0	0	114.8	T425	T425-S427 VanDerWaalsContact C-N 3.34Å; T425-S427 PolarHBondContact O-N 2.93Å
428	Q	32.6	Very low	37.4	Very low	194 Å²	194	129.1 Å²	129.1	91%	0.907	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	-16.4	169.7	-76.8	-160.9	-9.3	0	0	115.4	N426	N426-Q428 PolarHBondContact O-N 3.31Å; N426-Q428 VanDerWaalsContact O-N 3.15Å
429	S	35.8	Very low	36.6	Very low	93 Å²	93	123.4 Å²	123.4	65%	0.65	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-21.9	174.5	-173.5	0	0	0	0	114
430	Y	29.5	Very low	35.5	Very low	160 Å²	160	131.4 Å²	131.4	63%	0.627	64%	0.642	S	S	*	*	S	Bend	trans	-110.3	8.9	-174.4	-68.7	-72	0	0	0	115.9	T432 R433	Y430-T432 PolarHBondContact O-N 3.27Å; Y430-R433 PolarHBondContact O-N 3.35Å; Y430-R433 VanDerWaalsContact O-N 3.15Å
431	R	27.5	Very low	34.6	Very low	205 Å²	205	136.2 Å²	136.2	77%	0.774	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-0.2	-176.7	-116.4	-178.8	-176	-177.8	3.8	115.4
432	T	33	Very low	34	Very low	116 Å²	116	140.4 Å²	140.4	71%	0.712	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-3.6	172	1.1	0	0	0	0	115.1	Y430	Y430-T432 PolarHBondContact O-N 3.27Å
433	R	34.3	Very low	33.7	Very low	151 Å²	151	138.5 Å²	138.5	57%	0.57	67%	0.672	S	S	*	*	S	Bend	trans	-101.9	-4.2	-174.7	-78.1	-177.3	175.4	165.9	-3.9	117.2	E182 Y430	E182-R433 IonicContact OE1-NH2 3.41Å; E182-R433 PolarHBondContact OE1-NH2 3Å; E182-R433 IonicContact OE2-NH2 2.73Å; Y430-R433 PolarHBondContact O-N 3.35Å; Y430-R433 VanDerWaalsContact O-N 3.15Å
434	E	29	Very low	33.7	Very low	144 Å²	144	136.8 Å²	136.8	67%	0.673	67%	0.671	S	S	*	*	S	Bend	trans	-97.5	7.7	179.1	-105.7	-173.3	175.4	0	0	116.3	L436	E434-L436 VanDerWaalsContact C-N 3.26Å; E434-L436 PolarHBondContact O-N 3.34Å
435	I	33.3	Very low	33.4	Very low	130 Å²	130	135.8 Å²	135.8	67%	0.667	67%	0.671	S	S	*	*	H	α-helix	trans	-76.2	-11.7	177.8	-62.7	178.5	0	0	0	112.6	G439	I435-G439 PolarHBondContact O-N 2.94Å
436	L	33.2	Very low	33.1	Very low	118 Å²	118	136.6 Å²	136.6	62%	0.618	67%	0.671	S	S	*	*	H	α-helix	trans	-96.4	-14.8	-167.8	-77	164.9	0	0	0	117.3	E434	E434-L436 VanDerWaalsContact C-N 3.26Å; E434-L436 PolarHBondContact O-N 3.34Å
437	S	35	Very low	32.9	Very low	86 Å²	86	140 Å²	140	60%	0.601	68%	0.68	S	S	*	*	H	α-helix	trans	-82.8	-32.1	172.5	64.3	0	0	0	0	112.3
438	N	35.3	Very low	32.8	Very low	100 Å²	100	144.8 Å²	144.8	54%	0.535	70%	0.699	S	S	.	*	H	α-helix	trans	-85.1	-20.5	177.6	-76.3	-25.7	0	0	0	113.5	R440 K441 R442	N438-R440 VanDerWaalsContact C-N 3.29Å; N438-R440 PolarHBondContact O-N 3.43Å; N438-K441 PolarHBondContact O-N 2.99Å; N438-R442 WeakPolarHBondContact O-CB 3.26Å; N438-R442 PolarHBondContact O-N 3.47Å
439	G	36.4	Very low	32.5	Very low	33 Å²	33	142.2 Å²	142.2	34%	0.34	69%	0.691	S	S	.	*	H	α-helix	trans	-60.1	-34.6	175.7	0	0	0	0	0	113.8	I435	I435-G439 PolarHBondContact O-N 2.94Å
440	R	36.2	Very low	32.1	Very low	231 Å²	231	143.9 Å²	143.9	87%	0.872	69%	0.693	S	S	*	*	H	α-helix	trans	-78.4	-21.1	177.7	-96.5	-179.1	175.2	161.3	-0.9	114.6	N438	N438-R440 VanDerWaalsContact C-N 3.29Å; N438-R440 PolarHBondContact O-N 3.43Å
441	K	38.7	Very low	31.8	Very low	164 Å²	164	144.5 Å²	144.5	71%	0.713	70%	0.702	S	S	*	*	H	α-helix	trans	-94.1	-28.5	174.1	-79.3	-173.3	177.3	179.7	0	113.3	N438 L443 L444	N438-K441 PolarHBondContact O-N 2.99Å; K441-L443 VanDerWaalsContact C-N 3.33Å; K441-L443 PolarHBondContact O-N 3.46Å; K441-L444 PolarHBondContact O-N 3Å
442	R	32.4	Very low	31.8	Very low	184 Å²	184	139.8 Å²	139.8	69%	0.694	70%	0.7	S	S	*	*	H	α-helix	trans	-72.9	-21.3	178.3	-86.5	-173.2	168.5	175.2	-3	114.3	N438 L444 N445	N438-R442 WeakPolarHBondContact O-CB 3.26Å; N438-R442 PolarHBondContact O-N 3.47Å; R442-L444 PolarHBondContact O-N 2.92Å; R442-N445 PolarHBondContact O-N 3.48Å
443	L	34.5	Very low	31.5	Very low	150 Å²	150	141.9 Å²	141.9	79%	0.785	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-6.3	171.7	-84.8	157.2	0	0	0	114.1	K441	K441-L443 VanDerWaalsContact C-N 3.33Å; K441-L443 PolarHBondContact O-N 3.46Å
444	L	35.3	Very low	31	Very low	150 Å²	150	142.6 Å²	142.6	79%	0.785	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	-11.5	172.3	-114.2	87.8	0	0	0	115.7	K441 R442	K441-L444 PolarHBondContact O-N 3Å; R442-L444 PolarHBondContact O-N 2.92Å
445	N	29.8	Very low	30.8	Very low	140 Å²	140	144 Å²	144	75%	0.749	73%	0.729	S	S	*	*			trans	-127.8	27.8	-171.6	-84.9	1	0	0	0	114.7	R442 K447	R442-N445 PolarHBondContact O-N 3.48Å; N445-K447 VanDerWaalsContact C-N 3.26Å; N445-K447 PolarHBondContact O-N 3.03Å
446	N	27.1	Very low	30.7	Very low	138 Å²	138	144.7 Å²	144.7	74%	0.738	73%	0.734	S	S	*	*			trans	-74.6	80.2	167.4	-84.1	-10.3	0	0	0	110.7
447	K	28.2	Very low	30.3	Very low	189 Å²	189	146.7 Å²	146.7	82%	0.822	75%	0.745	S	S	*	*			trans	-167.8	104.9	150.4	-104.5	174.6	-172.5	-178.2	0	106.7	N445	N445-K447 VanDerWaalsContact C-N 3.26Å; N445-K447 PolarHBondContact O-N 3.03Å
448	I	31.7	Very low	30	Very low	165 Å²	165	150.4 Å²	150.4	85%	0.846	76%	0.758	S	S	*	*			trans	165.9	93.8	146.8	-78.6	149.4	0	0	0	106.6
449	D	27.5	Very low	29.4	Very low	139 Å²	139	151.7 Å²	151.7	74%	0.743	77%	0.77	S	S	*	*			trans	31.7	126.2	136.8	-59.6	-24.1	0	0	0	122.8
450	N	26.4	Very low	29	Very low	128 Å²	128	156.3 Å²	156.3	68%	0.684	79%	0.792	S	S	*	*				76.2	112.8	128.3	-69.1	-25.8	0	0	0	122.5
451	Q	23.9	Very low	28.4	Very low	174 Å²	174	154.5 Å²	154.5	81%	0.813	79%	0.793	S	S	*	*				55.6	115	126.1	-63.2	-179.1	-11.2	0	0	119.2
452	S	26.3	Very low	27.8	Very low	106 Å²	106	153.9 Å²	153.9	74%	0.741	80%	0.797	S	S	*	*				167	140.5	104.5	49.5	0	0	0	0	113.4
453	N	27.4	Very low	27.5	Very low	159 Å²	159	151 Å²	151	85%	0.85	81%	0.806	S	S	*	*			trans	70.7	104.9	147.9	-58.7	-7.7	0	0	0	120.7
454	N	24.7	Very low	27.1	Very low	167 Å²	167	151.9 Å²	151.9	89%	0.893	81%	0.805	S	S	*	*			trans	-112.9	119	162.6	-114.7	-4.1	0	0	0	107.3
455	E	24.7	Very low	26.6	Very low	174 Å²	174	149.3 Å²	149.3	81%	0.813	80%	0.8	S	S	*	*			trans	-148.8	142.5	160.7	-86.9	-166.8	174.7	0	0	111.3
456	N	29.8	Very low	26.3	Very low	144 Å²	144	148.8 Å²	148.8	77%	0.77	80%	0.802	S	S	*	*			trans	93.3	91.8	157	-54.6	-24.8	0	0	0	119.1
457	N	25.6	Very low	26.1	Very low	160 Å²	160	150.2 Å²	150.2	86%	0.856	80%	0.804	S	S	*	*			trans	-71.2	137.6	152.9	-69.8	-35	0	0	0	109.7
458	D	27.8	Very low	25.8	Very low	164 Å²	164	147.6 Å²	147.6	88%	0.877	80%	0.804	S	S	*	*			trans	-132.6	132.9	156.6	-107.1	-26.5	0	0	0	109.5
459	T	23	Very low	25.4	Very low	127 Å²	127	149.9 Å²	149.9	78%	0.779	80%	0.804	S	S	*	*			trans	-87.7	128.6	-172.4	45.1	0	0	0	0	110.9
460	T	27.9	Very low	25.1	Very low	130 Å²	130	149.3 Å²	149.3	80%	0.798	81%	0.805	S	S	*	*			trans	-132.5	111.6	161.7	48.1	0	0	0	0	109.1
461	E	22.9	Very low	24.9	Very low	192 Å²	192	145.9 Å²	145.9	90%	0.897	80%	0.8	S	S	*	*			trans	-73	113.7	171.9	-65.3	175	156.5	0	0	108.9
462	D	27.8	Very low	24.8	Very low	152 Å²	152	144.9 Å²	144.9	81%	0.813	80%	0.795	S	S	*	*			trans	-119.8	117.1	163.7	-83.1	-35.4	0	0	0	108.9
463	S	25.2	Very low	24.6	Very low	124 Å²	124	147.6 Å²	147.6	87%	0.867	80%	0.796	S	S	*	*			trans	-89.5	107	-179.3	41.7	0	0	0	0	108.8
464	E	26.1	Very low	24.3	Very low	167 Å²	167	146.3 Å²	146.3	78%	0.78	78%	0.784	S	S	*	*			trans	-115.6	111.6	171.3	-77.2	-168.5	162.3	0	0	110.6
465	S	24.4	Very low	24.1	Very low	97 Å²	97	145.6 Å²	145.6	68%	0.678	78%	0.781	S	S	*	*			trans	-60.2	122.5	177.9	52.4	0	0	0	0	112.8	H467	S465-H467 PolarHBondContact O-N 2.98Å
466	T	23.4	Very low	23.9	Very low	128 Å²	128	146.4 Å²	146.4	79%	0.785	78%	0.778	S	S	*	*			trans	-83.8	88.4	175.3	42.9	0	0	0	0	111	T468	T466-T468 PolarHBondContact O-N 3.48Å
467	H	23.8	Very low	23.6	Very low	169 Å²	169	144.6 Å²	144.6	78%	0.782	77%	0.774	S	S	*	*			trans	-88	88.1	168.6	-80.9	-65.6	0	0	0	110.9	S465 Y469	S465-H467 PolarHBondContact O-N 2.98Å; H467-Y469 PolarHBondContact O-N 3.49Å
468	T	22.3	Very low	23.4	Very low	134 Å²	134	146.2 Å²	146.2	82%	0.822	77%	0.769	S	S	*	*			trans	-74.7	96.4	164.8	13.5	0	0	0	0	109.2	T466 V470	T466-T468 PolarHBondContact O-N 3.48Å; T468-V470 PolarHBondContact O-N 3.45Å
469	Y	22	Very low	23.2	Very low	212 Å²	212	146.5 Å²	146.5	83%	0.831	77%	0.765	S	S	*	*			trans	-84.4	110.2	176.1	-150.6	-94.6	0	0	0	109.9	H467 G471	H467-Y469 PolarHBondContact O-N 3.49Å; Y469-G471 PolarHBondContact O-N 3.48Å
470	V	22.8	Very low	23.1	Very low	128 Å²	128	148.5 Å²	148.5	78%	0.776	77%	0.765	S	S	*	*			trans	-78.7	111.2	175.1	-178.4	0	0	0	0	108.1	T468 Q472	T468-V470 PolarHBondContact O-N 3.45Å; V470-Q472 PolarHBondContact O-N 3.27Å
471	G	22.4	Very low	22.9	Very low	56 Å²	56	146.1 Å²	146.1	58%	0.577	75%	0.753	S	S	*	*			trans	-60.5	127.7	178.7	0	0	0	0	0	111.8	Y469 H473	Y469-G471 PolarHBondContact O-N 3.48Å; G471-H473 PolarHBondContact O-N 2.95Å
472	Q	21.8	Very low	22.8	Very low	152 Å²	152	147.8 Å²	147.8	71%	0.71	75%	0.751	S	S	*	*			trans	-70.4	122.4	177	-72.5	178.9	-12.8	0	0	110.6	V470 H474	V470-Q472 PolarHBondContact O-N 3.27Å; Q472-H474 PolarHBondContact O-N 3.1Å
473	H	20.8	Very low	22.7	Very low	164 Å²	164	148.1 Å²	148.1	76%	0.759	75%	0.747	S	S	*	*			trans	-66.9	104.5	167.2	-90.9	-92.9	0	0	0	109.3	G471	G471-H473 PolarHBondContact O-N 2.95Å
474	H	21.2	Very low	22.6	Very low	131 Å²	131	148.5 Å²	148.5	61%	0.606	74%	0.74	S	S	*	*			trans	-96.5	103.7	162	-75.5	-51.8	0	0	0	108.6	Q472 Y476	Q472-H474 PolarHBondContact O-N 3.1Å; H474-Y476 HydrophobicContact CB-CD2 4.33Å; H474-Y476 HydrophobicContact CB-CE2 3.96Å; H474-Y476 PolarHBondContact O-N 2.82Å; H474-Y476 VanDerWaalsContact O-N 3.08Å
475	D	20.5	Very low	22.5	Very low	153 Å²	153	147 Å²	147	82%	0.818	74%	0.742	S	S	*	*			trans	-67.5	98.8	170.2	-76.9	-32.7	0	0	0	109.1
476	Y	21.2	Very low	22.5	Very low	191 Å²	191	148.2 Å²	148.2	75%	0.749	74%	0.741	S	S	*	*			trans	-81.1	134.7	167.4	-77.9	-82.1	0	0	0	110	H474 Y478	H474-Y476 HydrophobicContact CB-CD2 4.33Å; H474-Y476 HydrophobicContact CB-CE2 3.96Å; H474-Y476 PolarHBondContact O-N 2.82Å; H474-Y476 VanDerWaalsContact O-N 3.08Å; Y476-Y478 PolarHBondContact O-N 3.04Å
477	P	22.4	Very low	22.6	Very low	106 Å²	106	148.5 Å²	148.5	69%	0.688	74%	0.737	S	S	*	*			trans	-65.6	129.9	-176.3	-15.1	28.2	0	0	0	111.7	H479	P477-H479 PolarHBondContact O-N 3.5Å
478	Y	22.4	Very low	22.8	Very low	194 Å²	194	148.5 Å²	148.5	76%	0.761	74%	0.743	S	S	*	*			trans	-58.2	103.6	172.6	-86.3	-101.3	0	0	0	111.4	Y476	Y476-Y478 PolarHBondContact O-N 3.04Å
479	H	22.4	Very low	22.9	Very low	170 Å²	170	150.7 Å²	150.7	79%	0.787	74%	0.744	S	S	*	*			trans	-96	94.5	158.8	-77.4	-68.1	0	0	0	108.9	P477 C481	P477-H479 PolarHBondContact O-N 3.5Å; H479-C481 PolarHBondContact O-N 3.17Å
480	H	22.2	Very low	23.2	Very low	169 Å²	169	148.2 Å²	148.2	78%	0.782	75%	0.745	S	S	*	*			trans	-62.5	107.1	161	-90.3	-65.9	0	0	0	108	R482	H480-R482 PolarHBondContact O-N 3.28Å
481	C	23.5	Very low	23.3	Very low	79 Å²	79	148.7 Å²	148.7	53%	0.534	74%	0.743	S	S	.	*			trans	-59.8	101.2	162	-69.9	0	0	0	0	107.7	H479 H483	H479-C481 PolarHBondContact O-N 3.17Å; C481-H483 PolarHBondContact O-N 2.9Å
482	R	21.5	Very low	23.6	Very low	227 Å²	227	153.8 Å²	153.8	86%	0.857	76%	0.758	S	S	*	*			trans	-67.2	108.4	165.9	-98.9	-179.8	170.8	171.8	-3.2	106.9	H480 N484	H480-R482 PolarHBondContact O-N 3.28Å; R482-N484 PolarHBondContact O-N 3.41Å
483	H	24	Very low	23.8	Very low	159 Å²	159	153.7 Å²	153.7	74%	0.736	76%	0.762	S	S	*	*			trans	-63.7	100.3	161.8	-71.6	-79.4	0	0	0	107.8	C481 T485	C481-H483 PolarHBondContact O-N 2.9Å; H483-T485 PolarHBondContact O-N 3.44Å; H483-T485 VanDerWaalsContact O-N 3.1Å
484	N	22.8	Very low	24.1	Very low	133 Å²	133	152.9 Å²	152.9	71%	0.711	76%	0.763	S	S	*	*			trans	-68.2	100.8	162.1	-82.8	-1.8	0	0	0	106.8	R482 D486	R482-N484 PolarHBondContact O-N 3.41Å; N484-D486 PolarHBondContact O-N 2.92Å
485	T	25.8	Very low	24.3	Very low	134 Å²	134	155.7 Å²	155.7	82%	0.822	78%	0.776	S	S	*	*			trans	-90	83.1	163.6	39.5	0	0	0	0	106.3	H483	H483-T485 PolarHBondContact O-N 3.44Å; H483-T485 VanDerWaalsContact O-N 3.1Å
486	D	23.7	Very low	24.5	Very low	123 Å²	123	156.1 Å²	156.1	66%	0.658	78%	0.777	S	S	*	*			trans	-83.4	121	169.4	-82.4	-36.9	0	0	0	109	N484	N484-D486 PolarHBondContact O-N 2.92Å
487	N	26.2	Very low	24.7	Very low	134 Å²	134	155.5 Å²	155.5	72%	0.717	78%	0.778	S	S	*	*			trans	55.4	88.1	148.3	-55.1	-34.2	0	0	0	118.2
488	D	27.3	Very low	24.8	Very low	169 Å²	169	158.6 Å²	158.6	90%	0.904	79%	0.788	S	S	*	*			trans	-123.8	88.1	143.2	-85.8	-38.5	0	0	0	109	N490	D488-N490 PolarHBondContact O-N 3.45Å
489	E	24.6	Very low	24.8	Very low	181 Å²	181	160 Å²	160	85%	0.846	79%	0.794	S	S	*	*			trans	-66	106.4	155.4	-72.2	-176	158.7	0	0	107.6
490	N	28.3	Very low	24.9	Very low	159 Å²	159	157.8 Å²	157.8	85%	0.85	79%	0.788	S	S	*	*			trans	-157.7	117.1	146.3	-99.4	-37	0	0	0	112.2	D488 N492	D488-N490 PolarHBondContact O-N 3.45Å; N490-N492 PolarHBondContact O-N 3.21Å
491	N	24.9	Very low	25.2	Very low	138 Å²	138	155 Å²	155	74%	0.738	78%	0.784	S	S	*	*			trans	-38	125.4	163.8	-78.8	-45.1	0	0	0	112.4
492	N	27.9	Very low	25.3	Very low	164 Å²	164	160.8 Å²	160.8	88%	0.877	80%	0.796	S	S	*	*			trans	-147.8	112.8	133.8	-91	-34	0	0	0	109.3	N490 D494	N490-N492 PolarHBondContact O-N 3.21Å; N492-D494 PolarHBondContact O-N 3.21Å
493	N	25.9	Very low	25.4	Very low	149 Å²	149	155.8 Å²	155.8	80%	0.797	79%	0.792	S	S	*	*			trans	-64.6	107.1	172.6	-73.7	-44.7	0	0	0	109.2
494	D	27.4	Very low	25.5	Very low	148 Å²	148	154.5 Å²	154.5	79%	0.791	80%	0.795	S	S	*	*			trans	-131.9	117.6	155.1	-87.3	-38.3	0	0	0	109.6	N492 I496	N492-D494 PolarHBondContact O-N 3.21Å; D494-I496 PolarHBondContact O-N 2.81Å
495	Q	24.6	Very low	25.6	Very low	189 Å²	189	154.1 Å²	154.1	88%	0.883	79%	0.793	S	S	*	*			trans	-64.5	89.3	-176.9	-69.8	172.2	-9.4	0	0	110.6	K497	Q495-K497 PolarHBondContact O-N 3.24Å
496	I	25.8	Very low	25.4	Very low	162 Å²	162	158.9 Å²	158.9	83%	0.831	80%	0.796	S	S	*	*			trans	-77.9	103.3	168.4	-61	175.6	0	0	0	107.8	D494 L498	D494-I496 PolarHBondContact O-N 2.81Å; I496-L498 PolarHBondContact O-N 3.47Å
497	K	25.2	Very low	25.5	Very low	178 Å²	178	162 Å²	162	77%	0.774	80%	0.8	S	S	*	*			trans	-55.4	124.2	174.9	-73.3	176.8	176.7	175.4	0	110.5	Q495 Y499	Q495-K497 PolarHBondContact O-N 3.24Å; K497-Y499 PolarHBondContact O-N 2.91Å; K497-Y499 VanDerWaalsContact O-N 3.13Å
498	L	23.9	Very low	25.3	Very low	172 Å²	172	160.9 Å²	160.9	90%	0.901	80%	0.802	S	S	*	*			trans	-48.3	110.4	169.1	-130	78.4	0	0	0	110	I496	I496-L498 PolarHBondContact O-N 3.47Å
499	Y	22.5	Very low	25.1	Very low	224 Å²	224	163.2 Å²	163.2	88%	0.878	80%	0.8	S	S	*	*			trans	-86.3	110	168.5	-109.4	-93	0	0	0	108	K497	K497-Y499 PolarHBondContact O-N 2.91Å; K497-Y499 VanDerWaalsContact O-N 3.13Å
500	D	26.1	Very low	25.2	Very low	123 Å²	123	160 Å²	160	66%	0.658	80%	0.795	S	S	*	*			trans	-86.2	116.4	176.8	-150.7	-11.1	0	0	0	108.9	Y502	D500-Y502 PolarHBondContact O-N 2.9Å; D500-Y502 VanDerWaalsContact O-N 3.14Å
501	P	27.7	Very low	25	Very low	109 Å²	109	160.8 Å²	160.8	71%	0.708	80%	0.798	S	S	*	*			trans	-84.7	23.9	-168.1	32.9	-33.2	0	0	0	114.7
502	Y	25.4	Very low	25	Very low	201 Å²	201	161.9 Å²	161.9	79%	0.788	80%	0.802	S	S	*	*			trans	-112.2	55.4	-180	-62.3	-72.3	0	0	0	113.7	D500	D500-Y502 PolarHBondContact O-N 2.9Å; D500-Y502 VanDerWaalsContact O-N 3.14Å
503	T	24.6	Very low	24.7	Very low	123 Å²	123	158.9 Å²	158.9	76%	0.755	79%	0.794	S	S	*	*			trans	-131.5	77.9	160.2	35.2	0	0	0	0	109.9	N505	T503-N505 PolarHBondContact O-N 3.34Å
504	T	25.2	Very low	24.7	Very low	131 Å²	131	157.3 Å²	157.3	80%	0.804	80%	0.795	S	S	*	*			trans	-63.3	99.9	159.2	47.9	0	0	0	0	108.1	R506	T504-R506 PolarHBondContact O-N 2.95Å
505	N	23.9	Very low	24.6	Very low	126 Å²	126	157.2 Å²	157.2	67%	0.674	79%	0.794	S	S	*	*			trans	-56.4	105.9	166.7	-95.9	-17.7	0	0	0	108.5	T503 Y507	T503-N505 PolarHBondContact O-N 3.34Å; N505-Y507 VanDerWaalsContact C-N 3.35Å; N505-Y507 HydrophobicContact CB-CD2 4.24Å; N505-Y507 HydrophobicContact CB-CE2 3.88Å; N505-Y507 PolarHBondContact O-N 3.31Å
506	R	22.9	Very low	24.6	Very low	233 Å²	233	157.7 Å²	157.7	88%	0.879	80%	0.796	S	S	*	*			trans	-64.6	94.4	168.6	-73.6	-178.3	178.8	-177.6	-0.3	108.1	T504 S508	T504-R506 PolarHBondContact O-N 2.95Å; R506-S508 PolarHBondContact O-N 2.77Å; R506-S508 VanDerWaalsContact O-N 3.16Å
507	Y	24.7	Very low	24.6	Very low	190 Å²	190	154.8 Å²	154.8	75%	0.745	79%	0.79	S	S	*	*			trans	-77.4	95.1	161.1	-74.9	-78.5	0	0	0	108.1	N505 Y509	N505-Y507 VanDerWaalsContact C-N 3.35Å; N505-Y507 HydrophobicContact CB-CD2 4.24Å; N505-Y507 HydrophobicContact CB-CE2 3.88Å; N505-Y507 PolarHBondContact O-N 3.31Å; Y507-Y509 PolarHBondContact O-N 3.39Å
508	S	22.2	Very low	24.6	Very low	110 Å²	110	153 Å²	153	77%	0.769	80%	0.795	S	S	*	*			trans	-65.8	108.1	169.7	-59.9	0	0	0	0	109.7	R506	R506-S508 PolarHBondContact O-N 2.77Å; R506-S508 VanDerWaalsContact O-N 3.16Å
509	Y	24.6	Very low	24.8	Very low	217 Å²	217	152 Å²	152	85%	0.851	79%	0.788	S	S	*	*			trans	-80.3	137.2	162.7	-79.3	-83.9	0	0	0	109.4	Y507	Y507-Y509 PolarHBondContact O-N 3.39Å
510	P	25.8	Very low	25	Very low	114 Å²	114	146.9 Å²	146.9	74%	0.74	78%	0.783	S	S	*	*			trans	-78.5	136.1	-167.6	-1.4	19	0	0	0	111.4	I512	P510-I512 PolarHBondContact O-N 3.04Å; P510-I512 VanDerWaalsContact O-N 3.11Å
511	L	23.4	Very low	25	Very low	176 Å²	176	148.2 Å²	148.2	92%	0.921	79%	0.79	S	S	*	*			trans	-58.7	105.7	170.8	-67.6	160.4	0	0	0	109.9	S513	L511-S513 PolarHBondContact O-N 3.39Å
512	I	25.1	Very low	25	Very low	160 Å²	160	150.1 Å²	150.1	82%	0.821	79%	0.794	S	S	*	*			trans	-77.4	106	165.5	-63.9	174.9	0	0	0	106.8	P510 S514	P510-I512 PolarHBondContact O-N 3.04Å; P510-I512 VanDerWaalsContact O-N 3.11Å; I512-S514 PolarHBondContact O-N 3.32Å
513	S	21.9	Very low	25.2	Very low	102 Å²	102	150 Å²	150	71%	0.713	80%	0.8	S	S	*	*			trans	-67.5	111.7	169.9	59.3	0	0	0	0	110	L511	L511-S513 PolarHBondContact O-N 3.39Å
514	S	25.6	Very low	25.4	Very low	115 Å²	115	151.2 Å²	151.2	80%	0.804	80%	0.802	S	S	*	*			trans	-103.2	112.1	161.1	49	0	0	0	0	108.7	I512	I512-S514 PolarHBondContact O-N 3.32Å
515	N	25.8	Very low	25.8	Very low	146 Å²	146	150 Å²	150	78%	0.781	80%	0.796	S	S	*	*			trans	-58.5	140.3	-179.5	-74.7	-34.1	0	0	0	111.9	S517	N515-S517 PolarHBondContact O-N 3.36Å
516	H	24.6	Very low	26.1	Very low	199 Å²	199	150.9 Å²	150.9	92%	0.921	80%	0.801	S	S	*	*			trans	-48.3	104.4	165.6	-72	-82.8	0	0	0	111.6
517	S	26	Very low	26.3	Very low	101 Å²	101	147.4 Å²	147.4	71%	0.706	80%	0.8	S	S	*	*			trans	-107.1	106.3	157	58.5	0	0	0	0	108.1	N515 I519	N515-S517 PolarHBondContact O-N 3.36Å; S517-I519 PolarHBondContact O-N 2.91Å
518	T	25.9	Very low	26.5	Very low	142 Å²	142	144.2 Å²	144.2	87%	0.871	80%	0.8	S	S	*	*			trans	-35.4	111.7	164.6	29.1	0	0	0	0	112.1
519	I	26.7	Very low	26.7	Very low	150 Å²	150	146.2 Å²	146.2	77%	0.769	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-75.5	127.1	167.2	-61	171.3	0	0	0	106.7	S517 N521	S517-I519 PolarHBondContact O-N 2.91Å; I519-N521 PolarHBondContact O-N 3.23Å
520	P	27.3	Very low	26.7	Very low	117 Å²	117	143.8 Å²	143.8	76%	0.76	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-72	126.4	175.9	1.9	13.2	0	0	0	109.2	D522	P520-D522 PolarHBondContact O-N 3.4Å
521	N	26.7	Very low	26.8	Very low	151 Å²	151	144.6 Å²	144.6	81%	0.807	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-60.3	116.1	164.2	-70.7	-33.7	0	0	0	108.7	I519	I519-N521 PolarHBondContact O-N 3.23Å
522	D	27.5	Very low	27.1	Very low	149 Å²	149	145 Å²	145	80%	0.797	80%	0.799	S	S	*	*			trans	169	92.8	144.4	-88.7	-18	0	0	0	107	P520	P520-D522 PolarHBondContact O-N 3.4Å
523	H	29.3	Very low	27.5	Very low	197 Å²	197	144.6 Å²	144.6	91%	0.912	79%	0.792	S	S	*	*			trans	-159.3	122.5	149.1	-93.4	3.5	0	0	0	108.8
524	D	29.1	Very low	28.3	Very low	149 Å²	149	146.3 Å²	146.3	80%	0.797	79%	0.792	S	S	*	*			trans	-53.6	139.1	179.5	-120.7	-33.2	0	0	0	111.5	D526	D524-D526 VanDerWaalsContact C-N 3.31Å; D524-D526 PolarHBondContact O-N 3.42Å
525	P	32.7	Very low	29.1	Very low	105 Å²	105	143.4 Å²	143.4	68%	0.682	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	17.5	-166.1	34.1	-34	0	0	0	115.8
526	D	30.5	Very low	30.2	Very low	146 Å²	146	137 Å²	137	78%	0.781	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	2.2	-171.5	-79.9	-14.1	0	0	0	116.5	D524	D524-D526 VanDerWaalsContact C-N 3.31Å; D524-D526 PolarHBondContact O-N 3.42Å
527	D	26.6	Very low	31.5	Very low	159 Å²	159	128.5 Å²	128.5	85%	0.85	69%	0.694	S	S	*	*			trans	-111.4	33.7	-179	-85.8	-22.3	0	0	0	114.9	I529	D527-I529 PolarHBondContact O-N 2.85Å; D527-I529 VanDerWaalsContact O-N 3.09Å
528	V	29.1	Very low	32.7	Very low	124 Å²	124	132 Å²	132	75%	0.752	70%	0.696	S	S	*	*			trans	-78.5	95	162.9	-176.2	0	0	0	0	108.4	M530	V528-M530 VanDerWaalsContact C-N 3.34Å; V528-M530 PolarHBondContact O-N 3.5Å
529	I	27.5	Very low	33.5	Very low	151 Å²	151	131.3 Å²	131.3	77%	0.774	68%	0.683	S	S	*	*			trans	-49.5	97.5	168.2	-61.9	170	0	0	0	108.4	D527 T531	D527-I529 PolarHBondContact O-N 2.85Å; D527-I529 VanDerWaalsContact O-N 3.09Å; I529-T531 PolarHBondContact O-N 3.25Å
530	M	24.9	Very low	34.2	Very low	167 Å²	167	125.6 Å²	125.6	82%	0.823	65%	0.654	S	S	*	*			trans	-59.4	101.1	171.5	-80.1	-92.3	-96.5	0	0	107.7	V528 E532	V528-M530 VanDerWaalsContact C-N 3.34Å; V528-M530 PolarHBondContact O-N 3.5Å; M530-E532 PolarHBondContact O-N 3.03Å
531	T	27.1	Very low	34.4	Very low	130 Å²	130	129 Å²	129	80%	0.798	66%	0.66	S	S	*	*			trans	-50.7	113.5	162.4	38.1	0	0	0	0	107.6	I529 F533	I529-T531 PolarHBondContact O-N 3.25Å; T531-F533 PolarHBondContact O-N 3.25Å
532	E	29.5	Very low	34.7	Very low	186 Å²	186	125.5 Å²	125.5	87%	0.869	64%	0.641	S	S	*	*			trans	-42	112.2	-173.7	-74.5	179.3	140.4	0	0	111.8	M530 I534	M530-E532 PolarHBondContact O-N 3.03Å; E532-I534 PolarHBondContact O-N 3.13Å; E532-I534 VanDerWaalsContact O-N 3.13Å
533	F	33.6	Very low	34.8	Very low	150 Å²	150	126.5 Å²	126.5	66%	0.658	64%	0.641	S	S	*	*			trans	-65.6	106.3	179.8	-179	-93.8	0	0	0	110.1	H150 T531 D535	H150-F533 AromaticContact NE2-CZ 3.65Å; T531-F533 PolarHBondContact O-N 3.25Å; F533-D535 PolarHBondContact O-N 3.34Å
534	I	37.6	Very low	34.9	Very low	139 Å²	139	125.6 Å²	125.6	71%	0.713	64%	0.637	S	S	*	*			trans	-77.9	106.5	173.5	-63.6	168.2	0	0	0	108	E532 P536	E532-I534 PolarHBondContact O-N 3.13Å; E532-I534 VanDerWaalsContact O-N 3.13Å; I534-P536 VanDerWaalsContact O-CD 3.26Å; I534-P536 WeakPolarHBondContact O-CD 3.09Å
535	D	43.2	Very low	34.8	Very low	53 Å²	53	124.5 Å²	124.5	28%	0.283	63%	0.631	S	S	.	*			trans	-61.2	112.6	169.3	173.1	7.8	0	0	0	109.3	F533 F537 K538	F533-D535 PolarHBondContact O-N 3.34Å; D535-F537 PolarHBondContact O-N 2.98Å; D535-F537 VanDerWaalsContact O-N 3.09Å; D535-F537 WeakPolarHBondContact OD1-CB 3.2Å; D535-F537 WeakPolarHBondContact OD1-CD2 3.5Å; D535-F537 PolarHBondContact OD1-N 3.32Å; D535-K538 HydrophobicContact CB-CB 3.99Å; D535-K538 VanDerWaalsContact O-CB 3.31Å; D535-K538 WeakPolarHBondContact O-CB 3.43Å; D535-K538 PolarHBondContact O-N 3.11Å
536	P	49.1	Very low	34.6	Very low	12 Å²	12	126.9 Å²	126.9	8%	0.078	64%	0.638	C	S	.	*	T	Hydrogen-bonded Turn	trans	-69.2	-8.6	-175.2	27.1	-31.8	0	0	0	113.3	R186 I534	R186-P536 HydrophobicContact CB-CB 4.25Å; I534-P536 VanDerWaalsContact O-CD 3.26Å; I534-P536 WeakPolarHBondContact O-CD 3.09Å
537	F	52.5	Low	34.5	Very low	20 Å²	20	128.3 Å²	128.3	9%	0.088	64%	0.64	C	S	.	*	T	Hydrogen-bonded Turn	trans	-90.8	-14.3	171.3	-57.5	-71	0	0	0	113.1	K147 H150 I183 D535 Q539 L540	K147-F537 HydrophobicContact CB-CE2 4.4Å; K147-F537 HydrophobicContact CB-CZ 4.27Å; K147-F537 HydrophobicContact CD-CD1 3.96Å; K147-F537 HydrophobicContact CD-CE1 4.14Å; K147-F537 HydrophobicContact CD-CG 4.32Å; K147-F537 HydrophobicContact CG-CD1 3.51Å; K147-F537 HydrophobicContact CG-CD2 3.99Å; K147-F537 HydrophobicContact CG-CE1 3.29Å; K147-F537 HydrophobicContact CG-CE2 3.81Å; K147-F537 HydrophobicContact CG-CG 3.83Å; K147-F537 HydrophobicContact CG-CZ 3.45Å; K147-F537 VanDerWaalsContact CG-CZ 3.45Å; H150-F537 HydrophobicContact CB-CE2 4.31Å; I183-F537 HydrophobicContact CD1-CD1 4.5Å; I183-F537 HydrophobicContact CD1-CE1 3.84Å; I183-F537 HydrophobicContact CG1-CE1 4.25Å; I183-F537 HydrophobicContact CG2-CE1 4.21Å; I183-F537 HydrophobicContact CG2-CZ 4.17Å; D535-F537 PolarHBondContact O-N 2.98Å; D535-F537 VanDerWaalsContact O-N 3.09Å; D535-F537 WeakPolarHBondContact OD1-CB 3.2Å; D535-F537 WeakPolarHBondContact OD1-CD2 3.5Å; D535-F537 PolarHBondContact OD1-N 3.32Å; F537-Q539 VanDerWaalsContact C-N 3.3Å; F537-Q539 PolarHBondContact O-N 2.86Å; F537-L540 CarbonylContact O-C 3.47Å; F537-L540 PolarHBondContact O-N 3.34Å
538	K	49.5	Very low	34.6	Very low	174 Å²	174	129 Å²	129	76%	0.757	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-27.1	-174.2	-161.7	176.3	-175.3	-178.4	0	113.3	D535	D535-K538 HydrophobicContact CB-CB 3.99Å; D535-K538 VanDerWaalsContact O-CB 3.31Å; D535-K538 WeakPolarHBondContact O-CB 3.43Å; D535-K538 PolarHBondContact O-N 3.11Å
539	Q	44.4	Very low	34.4	Very low	128 Å²	128	130.7 Å²	130.7	60%	0.598	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-8.6	172.2	-81.9	179.8	-14.6	0	0	113.7	F537	F537-Q539 VanDerWaalsContact C-N 3.3Å; F537-Q539 PolarHBondContact O-N 2.86Å
540	L	40.9	Very low	34.3	Very low	31 Å²	31	130.5 Å²	130.5	16%	0.162	64%	0.643	C	S	.	*			trans	-102.6	76.6	177.6	-63.9	169.2	0	0	0	107.9	L179 I183 F537 L542	L179-L540 HydrophobicContact CD1-CD1 3.85Å; L179-L540 HydrophobicContact CD1-CD2 3.81Å; L179-L540 HydrophobicContact CD1-CG 4.48Å; I183-L540 HydrophobicContact CD1-CD1 4.41Å; I183-L540 HydrophobicContact CG1-CD1 4.2Å; F537-L540 CarbonylContact O-C 3.47Å; F537-L540 PolarHBondContact O-N 3.34Å; L540-L542 PolarHBondContact O-N 2.68Å
541	Q	31.6	Very low	34.1	Very low	188 Å²	188	131.3 Å²	131.3	88%	0.879	65%	0.645	S	S	*	*			trans	-62.8	83.4	165.8	-75.4	-177.3	-23.1	0	0	108	E543	Q541-E543 PolarHBondContact O-N 3.13Å
542	L	33.4	Very low	34	Very low	78 Å²	78	132.5 Å²	132.5	41%	0.408	65%	0.645	S	S	.	*			trans	-79.7	106.7	170.3	-71	172.1	0	0	0	106.1	L179 L540 E544	L179-L542 HydrophobicContact CD2-CD2 4.16Å; L540-L542 PolarHBondContact O-N 2.68Å; L542-E544 PolarHBondContact O-N 3.21Å
543	E	28.2	Very low	33.5	Very low	170 Å²	170	132.1 Å²	132.1	79%	0.794	64%	0.643	S	S	*	*			trans	-57.7	125.1	171	-67.1	-165.4	159.9	0	0	108.8	Q541 N545	Q541-E543 PolarHBondContact O-N 3.13Å; E543-N545 PolarHBondContact O-N 3Å
544	E	31.1	Very low	32.9	Very low	178 Å²	178	134 Å²	134	83%	0.832	65%	0.652	S	S	*	*			trans	-71.4	86.1	173.4	-70.5	-174.7	161.1	0	0	107.8	L542 N546	L542-E544 PolarHBondContact O-N 3.21Å; E544-N546 PolarHBondContact O-N 2.95Å
545	N	28.5	Very low	32.2	Very low	126 Å²	126	134.8 Å²	134.8	67%	0.674	66%	0.655	S	S	*	*			trans	-62.3	107.1	169	-77.5	-16.3	0	0	0	108.1	E543 E547	E543-N545 PolarHBondContact O-N 3Å; N545-E547 PolarHBondContact O-N 3.43Å
546	N	27.7	Very low	31.2	Very low	154 Å²	154	137.4 Å²	137.4	82%	0.824	67%	0.673	S	S	*	*			trans	-66.8	82.9	167.4	-78.2	-37.9	0	0	0	107.9	E544 Q548	E544-N546 PolarHBondContact O-N 2.95Å; N546-Q548 PolarHBondContact O-N 3.41Å
547	E	29.3	Very low	29.9	Very low	176 Å²	176	144 Å²	144	82%	0.822	71%	0.708	S	S	*	*			trans	-63.4	104.9	173.2	-75.5	178.8	167.4	0	0	109	N545	N545-E547 PolarHBondContact O-N 3.43Å
548	Q	27.2	Very low	28.4	Very low	173 Å²	173	151.6 Å²	151.6	81%	0.808	74%	0.743	S	S	*	*			trans	-61.7	131.7	161.7	-75.5	173.6	-28.2	0	0	108.3	N546 N550	N546-Q548 PolarHBondContact O-N 3.41Å; Q548-N550 PolarHBondContact O-N 3.36Å
549	N	25.2	Very low	27.1	Very low	161 Å²	161	148.6 Å²	148.6	86%	0.861	74%	0.743	S	S	*	*			trans	-51.7	92.8	177.3	-70.3	-35.9	0	0	0	111.1	E551	N549-E551 PolarHBondContact O-N 3.26Å
550	N	25	Very low	26	Very low	146 Å²	146	147.6 Å²	147.6	78%	0.781	75%	0.75	S	S	*	*			trans	-78.6	103.3	162.2	-77.2	-20.4	0	0	0	106.7	Q548 I552	Q548-N550 PolarHBondContact O-N 3.36Å; N550-I552 PolarHBondContact O-N 2.97Å
551	E	21.9	Very low	25.1	Very low	185 Å²	185	158 Å²	158	86%	0.864	79%	0.787	S	S	*	*			trans	-53.5	99.6	170.5	-74.7	-179.7	146.5	0	0	109.1	N549 Q553	N549-E551 PolarHBondContact O-N 3.26Å; E551-Q553 PolarHBondContact O-N 3.48Å
552	I	23.7	Very low	24.6	Very low	154 Å²	154	154.5 Å²	154.5	79%	0.79	78%	0.779	S	S	*	*			trans	-70.6	102.1	170.7	-63.7	173.9	0	0	0	106.4	N550 F554	N550-I552 PolarHBondContact O-N 2.97Å; I552-F554 PolarHBondContact O-N 3.48Å; I552-F554 VanDerWaalsContact O-N 3.17Å
553	Q	20.6	Very low	24.1	Very low	179 Å²	179	156.9 Å²	156.9	84%	0.836	80%	0.797	S	S	*	*			trans	-67.6	109.1	178.8	-152.8	152.6	4.6	0	0	108.6	E551 I555	E551-Q553 PolarHBondContact O-N 3.48Å; Q553-I555 PolarHBondContact O-N 2.94Å
554	F	21.3	Very low	23.8	Very low	190 Å²	190	153.9 Å²	153.9	83%	0.833	80%	0.801	S	S	*	*			trans	-58.9	103.2	177.9	-85.9	-96.1	0	0	0	110.4	I552 V556	I552-F554 PolarHBondContact O-N 3.48Å; I552-F554 VanDerWaalsContact O-N 3.17Å; F554-V556 PolarHBondContact O-N 3.26Å
555	I	22.1	Very low	23.3	Very low	154 Å²	154	150 Å²	150	79%	0.79	79%	0.794	S	S	*	*			trans	-73.7	104.4	160.2	-64.6	174.4	0	0	0	106	Q553 D557	Q553-I555 PolarHBondContact O-N 2.94Å; I555-D557 PolarHBondContact O-N 2.94Å; I555-D557 VanDerWaalsContact O-N 3.14Å
556	V	22	Very low	23	Very low	108 Å²	108	149.3 Å²	149.3	66%	0.655	80%	0.798	S	S	*	*			trans	-69.1	103.2	172.1	175.4	0	0	0	0	107	F554 H558	F554-V556 PolarHBondContact O-N 3.26Å; V556-H558 PolarHBondContact O-N 3.31Å
557	D	20.9	Very low	22.7	Very low	150 Å²	150	151 Å²	151	80%	0.802	80%	0.802	S	S	*	*			trans	-60	102.7	170.4	-88.4	-26.9	0	0	0	109.4	I555 C559	I555-D557 PolarHBondContact O-N 2.94Å; I555-D557 VanDerWaalsContact O-N 3.14Å; D557-C559 PolarHBondContact O-N 2.94Å; D557-C559 VanDerWaalsContact O-N 3.09Å
558	H	23	Very low	22.5	Very low	180 Å²	180	148.1 Å²	148.1	83%	0.833	80%	0.801	S	S	*	*			trans	-68.6	104.9	164.6	-91.3	-73	0	0	0	108.8	V556	V556-H558 PolarHBondContact O-N 3.31Å
559	C	20.9	Very low	22.3	Very low	112 Å²	112	143.2 Å²	143.2	76%	0.757	80%	0.797	S	S	*	*			trans	-13.9	127.2	157.7	-75.6	0	0	0	0	116	D557	D557-C559 PolarHBondContact O-N 2.94Å; D557-C559 VanDerWaalsContact O-N 3.09Å
560	S	21.9	Very low	22.3	Very low	107 Å²	107	140.2 Å²	140.2	75%	0.748	79%	0.788	S	S	*	*				67.4	103.3	124.6	-46.7	0	0	0	0	117.9
561	R	20.9	Very low	22.4	Very low	250 Å²	250	142.3 Å²	142.3	94%	0.943	79%	0.793	S	S	*	*			trans	-144.6	102.7	135.8	-129.1	170.7	-178.4	176.1	-1	112.4
562	T	21.9	Very low	22.6	Very low	113 Å²	113	138.6 Å²	138.6	69%	0.693	78%	0.779	S	S	*	*			trans	-39.5	136.5	166	49.2	0	0	0	0	116
563	T	22.2	Very low	23.1	Very low	128 Å²	128	135.8 Å²	135.8	79%	0.785	77%	0.773	S	S	*	*			trans	55.4	108.4	132.4	65.7	0	0	0	0	119.1
564	A	21.5	Very low	23.9	Very low	108 Å²	108	133.1 Å²	133.1	89%	0.893	76%	0.764	S	S	*	*			trans	-111.7	99.7	143.2	0	0	0	0	0	107.8
565	S	22.4	Very low	24.4	Very low	97 Å²	97	125 Å²	125	68%	0.678	73%	0.734	S	S	*	*			trans	-64.1	133.7	173.1	47.8	0	0	0	0	111.5	E567	S565-E567 PolarHBondContact O-N 3.44Å
566	S	22.2	Very low	25.2	Very low	110 Å²	110	123.1 Å²	123.1	77%	0.769	72%	0.718	S	S	*	*			trans	13.3	103.1	141.9	59.4	0	0	0	0	116.7
567	E	21.6	Very low	25.8	Very low	191 Å²	191	124.2 Å²	124.2	89%	0.893	72%	0.716	S	S	*	*			trans	-104.4	102.1	146.9	-77.4	-171.5	168.3	0	0	107.3	S565 G569	S565-E567 PolarHBondContact O-N 3.44Å; E567-G569 PolarHBondContact O-N 3.25Å
568	S	23.6	Very low	26.6	Very low	115 Å²	115	118.8 Å²	118.8	80%	0.804	69%	0.691	S	S	*	*			trans	-58.9	90.9	162.2	52.3	0	0	0	0	107.7	S570	S568-S570 VanDerWaalsContact C-N 3.28Å; S568-S570 PolarHBondContact O-N 3.39Å
569	G	24.1	Very low	27.2	Very low	70 Å²	70	112.9 Å²	112.9	72%	0.722	67%	0.671	S	S	*	*			trans	-65.8	91.6	169.4	0	0	0	0	0	108.3	E567 E571	E567-G569 PolarHBondContact O-N 3.25Å; G569-E571 PolarHBondContact O-N 2.89Å
570	S	24.3	Very low	28.1	Very low	98 Å²	98	113.4 Å²	113.4	69%	0.685	66%	0.656	S	S	*	*			trans	-59.2	105.8	164.9	54.6	0	0	0	0	107.3	S568 L572	S568-S570 VanDerWaalsContact C-N 3.28Å; S568-S570 PolarHBondContact O-N 3.39Å; S570-L572 PolarHBondContact O-N 3.44Å
571	E	27.1	Very low	29.1	Very low	189 Å²	189	111.4 Å²	111.4	88%	0.883	65%	0.646	S	S	*	*			trans	-54	103.5	169.1	-79.8	-175.7	147.8	0	0	108.2	G569 S573	G569-E571 PolarHBondContact O-N 2.89Å; E571-S573 PolarHBondContact O-N 3.32Å
572	L	27.3	Very low	29.7	Very low	107 Å²	107	104.5 Å²	104.5	56%	0.56	62%	0.62	S	S	*	*			trans	-65.7	121.7	170.7	-73.7	162.7	0	0	0	106.8	S570 L574 Y576	S570-L572 PolarHBondContact O-N 3.44Å; L572-L574 PolarHBondContact O-N 3.37Å; L572-Y576 HydrophobicContact CB-CD1 4.32Å; L572-Y576 HydrophobicContact CD1-CD1 4.18Å; L572-Y576 HydrophobicContact CD1-CE1 4.22Å
573	S	33.9	Very low	30.4	Very low	95 Å²	95	102.9 Å²	102.9	66%	0.664	61%	0.61	S	S	*	*			trans	-33.6	127.1	176.7	170.5	0	0	0	0	112.1	E571 G575 Y576	E571-S573 PolarHBondContact O-N 3.32Å; S573-G575 PolarHBondContact O-N 3.12Å; S573-Y576 WeakPolarHBondContact O-CB 3.34Å; S573-Y576 PolarHBondContact O-N 3.35Å
574	L	36.8	Very low	31	Very low	124 Å²	124	104.9 Å²	104.9	65%	0.649	60%	0.604	S	S	*	*	H	α-helix	trans	-46.1	-27.2	-176.4	-141	81.7	0	0	0	114	L572 Y576 E577 A578	L572-L574 PolarHBondContact O-N 3.37Å; L574-Y576 VanDerWaalsContact C-N 3.31Å; L574-Y576 PolarHBondContact O-N 2.92Å; L574-E577 PolarHBondContact O-N 3.08Å; L574-A578 PolarHBondContact O-N 3.12Å
575	G	32.3	Very low	31.8	Very low	20 Å²	20	106 Å²	106	21%	0.206	59%	0.591	C	S	.	*	H	α-helix	trans	-63.6	-30.3	173.8	0	0	0	0	0	114.4	S573 S579	S573-G575 PolarHBondContact O-N 3.12Å; G575-S579 PolarHBondContact O-N 3.2Å
576	Y	38.6	Very low	32.2	Very low	114 Å²	114	111 Å²	111	45%	0.447	59%	0.594	S	S	.	*	H	α-helix	trans	-71.7	-38.7	176.2	-172.9	-99.9	0	0	0	111.8	L572 S573 L574 S579 R580	L572-Y576 HydrophobicContact CB-CD1 4.32Å; L572-Y576 HydrophobicContact CD1-CD1 4.18Å; L572-Y576 HydrophobicContact CD1-CE1 4.22Å; S573-Y576 WeakPolarHBondContact O-CB 3.34Å; S573-Y576 PolarHBondContact O-N 3.35Å; L574-Y576 VanDerWaalsContact C-N 3.31Å; L574-Y576 PolarHBondContact O-N 2.92Å; Y576-S579 WeakPolarHBondContact O-CB 3.31Å; Y576-S579 PolarHBondContact O-N 3.35Å; Y576-R580 HydrophobicContact CE1-CG 4.16Å; Y576-R580 VanDerWaalsContact CE1-NE 3.27Å; Y576-R580 PolarHBondContact O-N 2.93Å; Y576-R580 PolarHBondContact OH-NH2 2.92Å
577	E	35	Very low	32.7	Very low	131 Å²	131	113.6 Å²	113.6	61%	0.612	59%	0.594	S	S	*	*	H	α-helix	trans	-67.3	-42.3	175.4	-67.6	-137.3	146.4	0	0	112.2	L574 S579 R580 A581	L574-E577 PolarHBondContact O-N 3.08Å; E577-S579 VanDerWaalsContact C-N 3.26Å; E577-S579 PolarHBondContact O-N 3.38Å; E577-R580 WeakPolarHBondContact O-CB 3.44Å; E577-R580 PolarHBondContact O-N 2.67Å; E577-R580 VanDerWaalsContact O-N 3.09Å; E577-A581 PolarHBondContact O-N 3.12Å
578	A	36.3	Very low	33.2	Very low	35 Å²	35	112.4 Å²	112.4	29%	0.289	59%	0.589	S	S	.	*	H	α-helix	trans	-58.3	-39.2	174.1	0	0	0	0	0	111.9	L574 W582	L574-A578 PolarHBondContact O-N 3.12Å; A578-W582 PolarHBondContact O-N 3.08Å; A578-W582 VanDerWaalsContact O-N 3.16Å
579	S	37.4	Very low	33.4	Very low	57 Å²	57	114.4 Å²	114.4	40%	0.399	59%	0.585	S	S	.	*	H	α-helix	trans	-67.3	-38	174.4	-172.3	0	0	0	0	113.2	G575 Y576 E577 W582 T583	G575-S579 PolarHBondContact O-N 3.2Å; Y576-S579 WeakPolarHBondContact O-CB 3.31Å; Y576-S579 PolarHBondContact O-N 3.35Å; E577-S579 VanDerWaalsContact C-N 3.26Å; E577-S579 PolarHBondContact O-N 3.38Å; S579-W582 PolarHBondContact O-N 2.99Å; S579-T583 PolarHBondContact O-N 3.16Å; S579-T583 PolarHBondContact O-OG1 2.91Å
580	R	39.7	Very low	33.5	Very low	122 Å²	122	119.8 Å²	119.8	46%	0.46	59%	0.591	S	S	.	*	H	α-helix	trans	-64.9	-43.2	173.9	-84.9	-169.1	170.2	-163.9	1.2	112.5	Y576 E577 W582 T583 R584	Y576-R580 HydrophobicContact CE1-CG 4.16Å; Y576-R580 VanDerWaalsContact CE1-NE 3.27Å; Y576-R580 PolarHBondContact O-N 2.93Å; Y576-R580 PolarHBondContact OH-NH2 2.92Å; E577-R580 WeakPolarHBondContact O-CB 3.44Å; E577-R580 PolarHBondContact O-N 2.67Å; E577-R580 VanDerWaalsContact O-N 3.09Å; R580-W582 PolarHBondContact O-N 3.41Å; R580-T583 WeakPolarHBondContact CA-OG1 3.05Å; R580-T583 PolarHBondContact O-N 2.9Å; R580-T583 PolarHBondContact O-OG1 3.16Å; R580-R584 PolarHBondContact O-N 3.3Å
581	A	42.9	Very low	33.6	Very low	65 Å²	65	120.6 Å²	120.6	54%	0.537	60%	0.597	S	S	.	*	H	α-helix	trans	-59.8	-39.9	175.3	0	0	0	0	0	111.2	E577	E577-A581 PolarHBondContact O-N 3.12Å
582	W	33.5	Very low	33.6	Very low	105 Å²	105	118.6 Å²	118.6	40%	0.398	59%	0.592	S	S	.	*	H	α-helix	trans	-68.1	-40.7	177.3	-106.2	55.3	0	0	0	114.5	A578 S579 R580 V698	A578-W582 PolarHBondContact O-N 3.08Å; A578-W582 VanDerWaalsContact O-N 3.16Å; S579-W582 PolarHBondContact O-N 2.99Å; R580-W582 PolarHBondContact O-N 3.41Å; W582-V698 HydrophobicContact CZ2-CG1 4.48Å
583	T	36.2	Very low	33.5	Very low	79 Å²	79	119.8 Å²	119.8	49%	0.485	60%	0.599	S	S	.	*	H	α-helix	trans	-72.4	-33.8	-179.4	40.8	0	0	0	0	113.1	S579 R580 Q585 R586	S579-T583 PolarHBondContact O-N 3.16Å; S579-T583 PolarHBondContact O-OG1 2.91Å; R580-T583 WeakPolarHBondContact CA-OG1 3.05Å; R580-T583 PolarHBondContact O-N 2.9Å; R580-T583 PolarHBondContact O-OG1 3.16Å; T583-Q585 VanDerWaalsContact C-N 3.28Å; T583-Q585 PolarHBondContact O-N 3.3Å; T583-R586 PolarHBondContact O-N 2.97Å; T583-R586 VanDerWaalsContact O-N 3.1Å
584	R	34	Very low	33.2	Very low	171 Å²	171	124.1 Å²	124.1	65%	0.645	61%	0.608	S	S	*	*	H	α-helix	trans	-60.3	-34.7	175.6	-78	-177.4	175.4	153.8	-2.6	113.1	R580 R586 Q587	R580-R584 PolarHBondContact O-N 3.3Å; R584-R586 VanDerWaalsContact C-N 3.28Å; R584-R586 PolarHBondContact O-N 3.32Å; R584-Q587 PolarHBondContact O-N 3.46Å
585	Q	37.8	Very low	32.7	Very low	132 Å²	132	124.1 Å²	124.1	62%	0.617	62%	0.619	S	S	*	*	H	α-helix	trans	-67.3	-23.6	176.3	-94.2	-174.3	-8.3	0	0	114	T583	T583-Q585 VanDerWaalsContact C-N 3.28Å; T583-Q585 PolarHBondContact O-N 3.3Å
586	R	31.5	Very low	32.3	Very low	201 Å²	201	130.5 Å²	130.5	76%	0.758	65%	0.647	S	S	*	*	H	α-helix	trans	-78.1	-32.7	176.1	-92.1	-165.5	-161.7	-178.3	6.9	113.6	T583 R584 H588	T583-R586 PolarHBondContact O-N 2.97Å; T583-R586 VanDerWaalsContact O-N 3.1Å; R584-R586 VanDerWaalsContact C-N 3.28Å; R584-R586 PolarHBondContact O-N 3.32Å; R586-H588 VanDerWaalsContact C-N 3.26Å; R586-H588 PolarHBondContact O-N 3Å
587	Q	33.1	Very low	31.6	Very low	164 Å²	164	129.7 Å²	129.7	77%	0.766	66%	0.659	S	S	*	*	H	α-helix	trans	-74.2	-17.8	-174.1	-71.5	-171.6	-10	0	0	113.3	R584	R584-Q587 PolarHBondContact O-N 3.46Å
588	H	31.6	Very low	31.1	Very low	167 Å²	167	128.8 Å²	128.8	77%	0.773	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	14.9	178.9	-73.6	-63.6	0	0	0	115.1	R586	R586-H588 VanDerWaalsContact C-N 3.26Å; R586-H588 PolarHBondContact O-N 3Å
589	Q	27.8	Very low	30.6	Very low	156 Å²	156	132.3 Å²	132.3	73%	0.729	68%	0.68	S	S	*	*			trans	-95.5	33.2	174.9	-70.9	-163.8	-6.9	0	0	114.6
590	H	26.3	Very low	30.1	Very low	184 Å²	184	138 Å²	138	85%	0.852	70%	0.7	S	S	*	*			trans	-139.7	79.2	169.1	-80.9	-58.1	0	0	0	111.8
591	S	26.4	Very low	29.3	Very low	115 Å²	115	137.2 Å²	137.2	80%	0.804	70%	0.704	S	S	*	*			trans	-177.8	111.3	146.5	48.2	0	0	0	0	108.9
592	N	26.5	Very low	28.3	Very low	147 Å²	147	139.1 Å²	139.1	79%	0.786	71%	0.713	S	S	*	*			trans	-64.5	157.3	176.8	-82.6	-12.1	0	0	0	112.9
593	D	26.6	Very low	27.8	Very low	132 Å²	132	141.1 Å²	141.1	71%	0.706	73%	0.73	S	S	*	*			trans	60.7	102.3	149.7	-57.9	-26.4	0	0	0	118
594	H	27.9	Very low	27.1	Very low	185 Å²	185	141.9 Å²	141.9	86%	0.856	74%	0.739	S	S	*	*				-168.5	106	116.3	-87.7	-54	0	0	0	109.3	L596	H594-L596 PolarHBondContact O-N 3.42Å
595	S	24.5	Very low	26.6	Very low	125 Å²	125	144.2 Å²	144.2	87%	0.874	75%	0.748	S	S	*	*			trans	-67.8	103.3	171.3	54.2	0	0	0	0	110.2
596	L	24	Very low	25.9	Very low	153 Å²	153	144.5 Å²	144.5	80%	0.801	75%	0.754	S	S	*	*			trans	-102.8	121.9	161.9	-78.2	168.5	0	0	0	109.6	H594 L598	H594-L596 PolarHBondContact O-N 3.42Å; L596-L598 PolarHBondContact O-N 3.49Å
597	S	24.4	Very low	25.7	Very low	98 Å²	98	142.3 Å²	142.3	69%	0.685	76%	0.756	S	S	*	*			trans	-62	112	176	151.1	0	0	0	0	110.7	S599	S597-S599 PolarHBondContact O-N 2.89Å; S597-S599 PolarHBondContact OG-OG 3.33Å
598	L	24.7	Very low	25.4	Very low	112 Å²	112	138.7 Å²	138.7	59%	0.586	75%	0.749	S	S	*	*			trans	-98.6	40.3	-178.3	-74.1	176.2	0	0	0	113.3	L596 Q600 I601	L596-L598 PolarHBondContact O-N 3.49Å; L598-Q600 PolarHBondContact O-N 2.8Å; L598-I601 HydrophobicContact CD1-CD1 4.13Å; L598-I601 HydrophobicContact CD2-CD1 3.27Å; L598-I601 HydrophobicContact CD2-CG1 3.73Å; L598-I601 HydrophobicContact CG-CD1 4.21Å
599	S	26.4	Very low	25.1	Very low	108 Å²	108	137.3 Å²	137.3	76%	0.755	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	8.7	164	54.2	0	0	0	0	113.3	S597	S597-S599 PolarHBondContact O-N 2.89Å; S597-S599 PolarHBondContact OG-OG 3.33Å
600	Q	26.1	Very low	25	Very low	178 Å²	178	134.8 Å²	134.8	83%	0.832	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.8	32.2	176.9	-69.7	-170.5	-26.8	0	0	113.8	L598	L598-Q600 PolarHBondContact O-N 2.8Å
601	I	22.9	Very low	25	Very low	104 Å²	104	133.7 Å²	133.7	53%	0.533	74%	0.74	S	S	.	*			trans	-116.1	88.3	163.6	-62.9	179.3	0	0	0	108.9	L598 I603	L598-I601 HydrophobicContact CD1-CD1 4.13Å; L598-I601 HydrophobicContact CD2-CD1 3.27Å; L598-I601 HydrophobicContact CD2-CG1 3.73Å; L598-I601 HydrophobicContact CG-CD1 4.21Å; I601-I603 HydrophobicContact CG2-CG1 4.02Å; I601-I603 PolarHBondContact O-N 2.87Å
602	S	22.2	Very low	25	Very low	105 Å²	105	134.9 Å²	134.9	73%	0.734	74%	0.736	S	S	*	*			trans	-60.8	111.4	150.3	-50.9	0	0	0	0	106.2	S604	S602-S604 PolarHBondContact O-N 2.82Å
603	I	21.9	Very low	24.9	Very low	148 Å²	148	135.8 Å²	135.8	76%	0.759	74%	0.735	S	S	*	*			trans	-73.7	75.9	171.6	-55.1	172.7	0	0	0	106.3	I601 R605	I601-I603 HydrophobicContact CG2-CG1 4.02Å; I601-I603 PolarHBondContact O-N 2.87Å; I603-R605 VanDerWaalsContact C-N 3.31Å; I603-R605 PolarHBondContact O-N 3.29Å; I603-R605 VanDerWaalsContact O-N 3.08Å
604	S	21.7	Very low	24.8	Very low	95 Å²	95	139.5 Å²	139.5	66%	0.664	74%	0.74	S	S	*	*			trans	-57.8	106.8	149.5	-46.9	0	0	0	0	104	S602 D606	S602-S604 PolarHBondContact O-N 2.82Å; S604-D606 PolarHBondContact O-N 3.46Å
605	R	23.7	Very low	24.7	Very low	220 Å²	220	138 Å²	138	83%	0.83	73%	0.733	S	S	*	*			trans	-65.3	91.7	171.8	-146.2	177.6	-172.3	172.5	-0.8	104.2	I603 L607	I603-R605 VanDerWaalsContact C-N 3.31Å; I603-R605 PolarHBondContact O-N 3.29Å; I603-R605 VanDerWaalsContact O-N 3.08Å; R605-L607 PolarHBondContact O-N 3.49Å
606	D	23.4	Very low	24.7	Very low	138 Å²	138	138.7 Å²	138.7	74%	0.738	72%	0.722	S	S	*	*			trans	-57.3	98.4	170.9	-112.9	-10	0	0	0	105	S604 S608	S604-D606 PolarHBondContact O-N 3.46Å; D606-S608 PolarHBondContact O-N 3.4Å
607	L	28.3	Very low	24.8	Very low	154 Å²	154	140.8 Å²	140.8	81%	0.806	72%	0.72	S	S	*	*			trans	-73.7	34.8	169	-72.2	167.8	0	0	0	109.4	R605 E609	R605-L607 PolarHBondContact O-N 3.49Å; L607-E609 PolarHBondContact O-N 3.03Å
608	S	25.3	Very low	25	Very low	88 Å²	88	143.4 Å²	143.4	62%	0.615	73%	0.727	S	S	*	*			trans	-72.4	81.8	160.3	41.7	0	0	0	0	106.3	D606	D606-S608 PolarHBondContact O-N 3.4Å
609	E	26.2	Very low	25.2	Very low	138 Å²	138	148.8 Å²	148.8	65%	0.645	74%	0.74	S	S	*	*			trans	-39.2	129	157.7	-79.3	-177.2	153.9	0	0	107.3	L607 N611 R614	L607-E609 PolarHBondContact O-N 3.03Å; E609-N611 PolarHBondContact O-N 2.62Å; E609-R614 IonicContact OE2-NH1 3.56Å; E609-R614 PolarHBondContact OE2-NH1 2.91Å
610	P	25.4	Very low	25.3	Very low	104 Å²	104	150.2 Å²	150.2	68%	0.675	74%	0.739	S	S	*	*			trans	-56	131.6	178.5	24.8	-30.8	0	0	0	106.6	I612	P610-I612 WeakPolarHBondContact O-CG1 3.42Å; P610-I612 PolarHBondContact O-N 3.37Å
611	N	26.5	Very low	25.4	Very low	160 Å²	160	149 Å²	149	86%	0.856	74%	0.738	S	S	*	*			trans	-46.6	77.2	178.4	-84.7	-33.8	0	0	0	111.6	E609 H613	E609-N611 PolarHBondContact O-N 2.62Å; N611-H613 PolarHBondContact O-N 3.13Å
612	I	25.6	Very low	25.7	Very low	140 Å²	140	151.2 Å²	151.2	72%	0.718	75%	0.751	S	S	*	*			trans	-89	99.5	161.2	-63.4	169.7	0	0	0	101	P610 R614	P610-I612 WeakPolarHBondContact O-CG1 3.42Å; P610-I612 PolarHBondContact O-N 3.37Å; I612-R614 VanDerWaalsContact C-N 3.28Å; I612-R614 PolarHBondContact O-N 2.76Å
613	H	25	Very low	26.1	Very low	166 Å²	166	157.8 Å²	157.8	77%	0.769	76%	0.761	S	S	*	*			trans	-40.3	91.3	175.3	-78.6	-91.5	0	0	0	110.8	N611 E615	N611-H613 PolarHBondContact O-N 3.13Å; H613-E615 PolarHBondContact O-N 3.21Å
614	R	25.3	Very low	26.4	Very low	211 Å²	211	158.4 Å²	158.4	80%	0.796	77%	0.766	S	S	*	*			trans	-83.3	74.8	165.7	-98.1	-176.7	172.3	149.2	-2.5	106.5	E609 I612 H616	E609-R614 IonicContact OE2-NH1 3.56Å; E609-R614 PolarHBondContact OE2-NH1 2.91Å; I612-R614 VanDerWaalsContact C-N 3.28Å; I612-R614 PolarHBondContact O-N 2.76Å; R614-H616 PolarHBondContact O-N 3.26Å
615	E	24.2	Very low	26.8	Very low	154 Å²	154	161.1 Å²	161.1	72%	0.72	77%	0.773	S	S	*	*			trans	-77.7	102	150.3	-71	-178.1	-173.4	0	0	105.2	H613	H613-E615 PolarHBondContact O-N 3.21Å
616	H	26.1	Very low	27.1	Very low	139 Å²	139	157.5 Å²	157.5	64%	0.644	77%	0.77	S	S	*	*				179.9	122.9	129	-91.6	-37.4	0	0	0	114.6	R614	R614-H616 PolarHBondContact O-N 3.26Å
617	Y	24.9	Very low	27.4	Very low	196 Å²	196	160.4 Å²	160.4	77%	0.769	77%	0.772	S	S	*	*			trans	72	101.3	141.5	-62.3	-59.6	0	0	0	119.5	R619	Y617-R619 PolarHBondContact O-N 2.84Å
618	D	28.7	Very low	27.4	Very low	154 Å²	154	161.2 Å²	161.2	82%	0.824	77%	0.771	S	S	*	*				-14.1	117.3	129	-79.2	-36.4	0	0	0	113.5
619	R	28.4	Very low	27.6	Very low	225 Å²	225	165.5 Å²	165.5	85%	0.849	78%	0.782	S	S	*	*			trans	-171.6	110.2	130.9	-104.3	170	-169.3	-168	3.6	111.3	Y617	Y617-R619 PolarHBondContact O-N 2.84Å
620	N	28.9	Very low	27.8	Very low	138 Å²	138	168.3 Å²	168.3	74%	0.738	79%	0.792	S	S	*	*			trans	62.2	90	133.1	-54.3	-5.8	0	0	0	117.6
621	D	28.9	Very low	27.9	Very low	151 Å²	151	170.9 Å²	170.9	81%	0.807	80%	0.795	S	S	*	*				18.3	115.2	114.4	-56	-27.4	0	0	0	116.7
622	D	29.4	Very low	27.8	Very low	152 Å²	152	174.6 Å²	174.6	81%	0.813	80%	0.797	S	S	*	*			trans	148.4	77.1	140.3	-78.4	-17.8	0	0	0	109.4
623	Y	29.4	Very low	27.9	Very low	242 Å²	242	173.4 Å²	173.4	95%	0.949	80%	0.801	S	S	*	*			trans	-137.8	113.2	156.9	-93.2	-75.2	0	0	0	110.6
624	D	30	Very low	27.9	Very low	162 Å²	162	172.5 Å²	172.5	87%	0.866	80%	0.801	S	S	*	*			trans	-48.8	143.5	-177.3	-98.3	-46.6	0	0	0	115.3	D626	D624-D626 PolarHBondContact O-N 3.03Å; D624-D626 VanDerWaalsContact O-N 3.12Å
625	D	29.6	Very low	28.1	Very low	152 Å²	152	167.5 Å²	167.5	81%	0.813	80%	0.798	S	S	*	*			trans	-56.6	97.8	173.1	-78.9	-49.1	0	0	0	113.1
626	D	28.7	Very low	28.3	Very low	143 Å²	143	167.3 Å²	167.3	77%	0.765	80%	0.802	S	S	*	*			trans	-133.9	25.3	159.3	-147	9.4	0	0	0	113.4	D624	D624-D626 PolarHBondContact O-N 3.03Å; D624-D626 VanDerWaalsContact O-N 3.12Å
627	Y	30.3	Very low	28.3	Very low	199 Å²	199	166.6 Å²	166.6	78%	0.78	80%	0.802	S	S	*	*	S	Bend	trans	-92.3	-6.6	-176.5	-135.7	-91.6	0	0	0	115
628	H	28.9	Very low	28.4	Very low	171 Å²	171	163.2 Å²	163.2	79%	0.792	81%	0.807	S	S	*	*	S	Bend	trans	-107.6	4.2	-169	-78.7	-52.2	0	0	0	117.7
629	Q	29.2	Very low	28.3	Very low	178 Å²	178	159.6 Å²	159.6	83%	0.832	79%	0.794	S	S	*	*	S	Bend	trans	-101	-1.2	176.8	-84.5	-175.1	12.7	0	0	116.9
630	K	30.2	Very low	28.4	Very low	197 Å²	197	158 Å²	158	86%	0.857	80%	0.796	S	S	*	*	S	Bend	trans	-90.4	0.5	179.6	-93.7	178.6	-178.5	166.8	0	117.1
631	H	26.7	Very low	28.5	Very low	158 Å²	158	157 Å²	157	73%	0.731	79%	0.789	S	S	*	*	S	Bend	trans	-117.1	14.5	-173.3	-76.3	-67	0	0	0	117
632	R	25.5	Very low	28.7	Very low	239 Å²	239	157.7 Å²	157.7	90%	0.902	79%	0.788	S	S	*	*	S	Bend	trans	-105.3	100	168.9	-75.3	-171.5	-176.8	-179.2	3.2	111.6
633	S	27.2	Very low	29.3	Very low	114 Å²	114	151.2 Å²	151.2	80%	0.797	76%	0.757	S	S	*	*			trans	136.1	67.1	153.5	-63.4	0	0	0	0	112.7
634	L	26.3	Very low	29.8	Very low	147 Å²	147	144.7 Å²	144.7	77%	0.77	74%	0.739	S	S	*	*			trans	-111.3	15.2	167.4	-82.4	166.7	0	0	0	112.8	N636	L634-N636 PolarHBondContact O-N 3.19Å
635	S	29.2	Very low	30.3	Very low	106 Å²	106	142.3 Å²	142.3	74%	0.741	72%	0.722	S	S	*	*			trans	-86.9	5.6	-177.8	59	0	0	0	0	115.5
636	N	28.1	Very low	31	Very low	150 Å²	150	138.3 Å²	138.3	80%	0.802	70%	0.7	S	S	*	*			trans	-119	23.1	-171.1	-78.6	4.4	0	0	0	116.5	L634 S638	L634-N636 PolarHBondContact O-N 3.19Å; N636-S638 PolarHBondContact O-N 3.02Å
637	L	26.3	Very low	31.9	Very low	125 Å²	125	139.4 Å²	139.4	65%	0.654	69%	0.694	S	S	*	*			trans	-94.9	77.7	166.8	-82.5	107.1	0	0	0	111.4
638	S	25.9	Very low	32.3	Very low	125 Å²	125	132.9 Å²	132.9	87%	0.874	67%	0.673	S	S	*	*			trans	-110.8	81.6	161.8	159.2	0	0	0	0	107.7	N636	N636-S638 PolarHBondContact O-N 3.02Å
639	S	27	Very low	32.5	Very low	78 Å²	78	131.5 Å²	131.5	55%	0.545	68%	0.679	S	S	.	*			trans	-107.8	137.6	169.5	52	0	0	0	0	110.6
640	H	29.8	Very low	33.1	Very low	190 Å²	190	128.2 Å²	128.2	88%	0.88	67%	0.667	S	S	*	*			trans	-67.8	125.6	-176	-131.7	63.3	0	0	0	110.4	Q642	H640-Q642 PolarHBondContact O-N 2.74Å
641	I	32.5	Very low	33.6	Very low	118 Å²	118	122 Å²	122	61%	0.605	66%	0.659	S	S	*	*			trans	-67.4	123.9	177.7	-60.3	169.2	0	0	0	108.5	I657	I641-I657 HydrophobicContact CG2-CD1 4.39Å; I641-I657 HydrophobicContact CG2-CG1 4.24Å; I641-I657 HydrophobicContact CG2-CG2 4.24Å
642	Q	32	Very low	34	Very low	165 Å²	165	119.4 Å²	119.4	77%	0.771	65%	0.647	S	S	*	*			trans	-114.6	132.4	176.5	-134.7	173.4	-0.8	0	0	109.7	H640 T658	H640-Q642 PolarHBondContact O-N 2.74Å; Q642-T658 PolarHBondContact O-OG1 2.9Å
643	G	42.1	Very low	34.6	Very low	16 Å²	16	111.7 Å²	111.7	17%	0.165	63%	0.627	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-161.8	168	-176.6	0	0	0	0	0	111.7	F655 R656	G643-F655 VanDerWaalsContact O-CE1 3.31Å; G643-F655 WeakPolarHBondContact O-CE1 3.37Å; G643-R656 CarbonylContact C-O 3.59Å; G643-R656 WeakPolarHBondContact CA-O 3.17Å
644	D	39.5	Very low	35	Very low	106 Å²	106	110 Å²	110	57%	0.567	61%	0.608	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.9	141	-173.1	-63.8	-33	0	0	0	112.2	R656	D644-R656 PolarHBondContact N-O 3.25Å; D644-R656 PolarHBondContact O-N 3.13Å
645	E	41.8	Very low	35.4	Very low	111 Å²	111	109.1 Å²	109.1	52%	0.519	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.1	130.4	174.4	-71.8	-177.8	172.2	0	0	112.2	I654 F655	E645-I654 CarbonylContact C-O 3.6Å; E645-I654 WeakPolarHBondContact CA-O 3.31Å; E645-F655 HydrophobicContact CG-CD2 3.32Å; E645-F655 HydrophobicContact CG-CE2 3.35Å; E645-F655 HydrophobicContact CG-CG 4.25Å; E645-F655 HydrophobicContact CG-CZ 4.3Å; E645-F655 VanDerWaalsContact OE1-CE2 3.3Å; E645-F655 WeakPolarHBondContact OE1-CE2 3.42Å
646	I	44.2	Very low	35.7	Very low	68 Å²	68	110.4 Å²	110.4	35%	0.349	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.7	138.1	177.8	-57.8	174.5	0	0	0	109.9	T653 I654 R656	I646-T653 CarbonylContact O-C 3.55Å; I646-T653 WeakPolarHBondContact O-CA 3.3Å; I646-I654 HydrophobicContact CB-CG1 4.18Å; I646-I654 PolarHBondContact N-O 3.07Å; I646-I654 PolarHBondContact O-N 3.07Å; I646-R656 HydrophobicContact CD1-CB 4.07Å
647	Y	47.1	Very low	35.9	Very low	166 Å²	166	108.1 Å²	108.1	65%	0.651	57%	0.574	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.8	122.8	-179.7	-65.5	-100.5	0	0	0	110.9	T653	Y647-T653 HydrophobicContact CD1-CG2 3.24Å; Y647-T653 HydrophobicContact CD2-CG2 4.33Å; Y647-T653 HydrophobicContact CE1-CG2 3.1Å; Y647-T653 HydrophobicContact CE2-CG2 4.2Å; Y647-T653 HydrophobicContact CG-CG2 3.87Å
648	L	38.4	Very low	36.3	Very low	62 Å²	62	105.1 Å²	105.1	33%	0.325	56%	0.56	S	S	.	*			trans	-86.9	155.9	178.8	-66.1	172	0	0	0	112	N650 G651 E652 I654	L648-N650 WeakPolarHBondContact CB-OD1 3.5Å; L648-N650 PolarHBondContact O-N 2.86Å; L648-N650 VanDerWaalsContact O-N 3.07Å; L648-G651 PolarHBondContact O-N 3.42Å; L648-E652 WeakPolarHBondContact CB-O 3.44Å; L648-E652 HydrophobicContact CD1-CB 4.46Å; L648-E652 PolarHBondContact N-O 3.43Å; L648-I654 HydrophobicContact CD1-CD1 4.33Å; L648-I654 HydrophobicContact CD1-CG2 4.32Å; L648-I654 HydrophobicContact CD2-CD1 4.36Å; L648-I654 HydrophobicContact CG-CD1 4.42Å
649	P	33.2	Very low	37	Very low	142 Å²	142	106.1 Å²	106.1	92%	0.922	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-18.1	-178.2	-23.2	33.3	0	0	0	115.3	G651	P649-G651 VanDerWaalsContact C-N 3.31Å
650	N	42.5	Very low	37.2	Very low	109 Å²	109	108 Å²	108	58%	0.583	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	0.9	174.6	67.2	-17.2	0	0	0	113.2	L648 E652	L648-N650 WeakPolarHBondContact CB-OD1 3.5Å; L648-N650 PolarHBondContact O-N 2.86Å; L648-N650 VanDerWaalsContact O-N 3.07Å; N650-E652 PolarHBondContact ND2-OE2 2.91Å; N650-E652 PolarHBondContact OD1-N 2.97Å
651	G	39.8	Very low	37.1	Very low	66 Å²	66	102.8 Å²	102.8	68%	0.68	54%	0.543	S	S	*	.	S	Bend	trans	90.4	5.4	178.8	0	0	0	0	0	115.3	L648 P649	L648-G651 PolarHBondContact O-N 3.42Å; P649-G651 VanDerWaalsContact C-N 3.31Å
652	E	36.6	Very low	36.9	Very low	104 Å²	104	104 Å²	104	49%	0.486	55%	0.549	S	S	.	.			trans	-88.7	140.9	177.5	-68.5	177.5	153.8	0	0	111.8	L648 N650	L648-E652 WeakPolarHBondContact CB-O 3.44Å; L648-E652 HydrophobicContact CD1-CB 4.46Å; L648-E652 PolarHBondContact N-O 3.43Å; N650-E652 PolarHBondContact ND2-OE2 2.91Å; N650-E652 PolarHBondContact OD1-N 2.97Å
653	T	36.6	Very low	36.8	Very low	78 Å²	78	99.7 Å²	99.7	48%	0.479	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.8	175.3	39.4	0	0	0	0	111.8	I646 Y647	I646-T653 CarbonylContact O-C 3.55Å; I646-T653 WeakPolarHBondContact O-CA 3.3Å; Y647-T653 HydrophobicContact CD1-CG2 3.24Å; Y647-T653 HydrophobicContact CD2-CG2 4.33Å; Y647-T653 HydrophobicContact CE1-CG2 3.1Å; Y647-T653 HydrophobicContact CE2-CG2 4.2Å; Y647-T653 HydrophobicContact CG-CG2 3.87Å
654	I	36	Very low	36.1	Very low	79 Å²	79	105 Å²	105	41%	0.405	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.5	146.4	175.7	56.4	170.6	0	0	0	111.4	E645 I646 L648	E645-I654 CarbonylContact C-O 3.6Å; E645-I654 WeakPolarHBondContact CA-O 3.31Å; I646-I654 HydrophobicContact CB-CG1 4.18Å; I646-I654 PolarHBondContact N-O 3.07Å; I646-I654 PolarHBondContact O-N 3.07Å; L648-I654 HydrophobicContact CD1-CD1 4.33Å; L648-I654 HydrophobicContact CD1-CG2 4.32Å; L648-I654 HydrophobicContact CD2-CD1 4.36Å; L648-I654 HydrophobicContact CG-CD1 4.42Å
655	F	34.9	Very low	35.4	Very low	128 Å²	128	105 Å²	105	56%	0.561	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.8	121.1	-176.1	-138	-84.3	0	0	0	110.1	G643 E645	G643-F655 VanDerWaalsContact O-CE1 3.31Å; G643-F655 WeakPolarHBondContact O-CE1 3.37Å; E645-F655 HydrophobicContact CG-CD2 3.32Å; E645-F655 HydrophobicContact CG-CE2 3.35Å; E645-F655 HydrophobicContact CG-CG 4.25Å; E645-F655 HydrophobicContact CG-CZ 4.3Å; E645-F655 VanDerWaalsContact OE1-CE2 3.3Å; E645-F655 WeakPolarHBondContact OE1-CE2 3.42Å
656	R	35.2	Very low	34.7	Very low	132 Å²	132	104.4 Å²	104.4	50%	0.498	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.5	115.2	-178.5	-169.6	-180	-166.4	172.1	6.5	110.4	G643 D644 I646 N758	G643-R656 CarbonylContact C-O 3.59Å; G643-R656 WeakPolarHBondContact CA-O 3.17Å; D644-R656 PolarHBondContact N-O 3.25Å; D644-R656 PolarHBondContact O-N 3.13Å; I646-R656 HydrophobicContact CD1-CB 4.07Å; R656-N758 PolarHBondContact NH2-ND2 3.36Å
657	I	33	Very low	33.9	Very low	103 Å²	103	108.7 Å²	108.7	53%	0.528	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.7	128.7	176.5	-57.1	171.7	0	0	0	108.5	I641	I641-I657 HydrophobicContact CG2-CD1 4.39Å; I641-I657 HydrophobicContact CG2-CG1 4.24Å; I641-I657 HydrophobicContact CG2-CG2 4.24Å
658	T	34.1	Very low	32.8	Very low	61 Å²	61	108.2 Å²	108.2	37%	0.374	60%	0.604	S	S	.	*			trans	-81.3	147.5	-179.8	49.8	0	0	0	0	111.8	Q642 T660	Q642-T658 PolarHBondContact O-OG1 2.9Å; T658-T660 PolarHBondContact O-N 3.13Å
659	D	40.3	Very low	32	Very low	146 Å²	146	113 Å²	113	78%	0.781	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	5.4	-155.1	-68.8	-37	0	0	0	118.3	L661	D659-L661 PolarHBondContact O-N 3.06Å
660	T	31.6	Very low	31.7	Very low	118 Å²	118	115 Å²	115	72%	0.724	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-18.3	-169.7	54.8	0	0	0	0	115.1	T658	T658-T660 PolarHBondContact O-N 3.13Å
661	L	27.6	Very low	30.7	Very low	81 Å²	81	117 Å²	117	42%	0.424	63%	0.626	S	S	.	*	S	Bend	trans	-100.1	-20.2	-170.4	-113.4	141	0	0	0	115.7	D659 A663	D659-L661 PolarHBondContact O-N 3.06Å; L661-A663 VanDerWaalsContact C-N 3.28Å; L661-A663 PolarHBondContact O-N 3.31Å
662	L	28.7	Very low	30.1	Very low	142 Å²	142	118 Å²	118	74%	0.743	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-14.2	-177.8	-83.2	159.4	0	0	0	113.8	Q664	L662-Q664 VanDerWaalsContact C-N 3.3Å; L662-Q664 PolarHBondContact O-N 3.49Å
663	A	30.2	Very low	30.1	Very low	76 Å²	76	115.6 Å²	115.6	63%	0.628	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-10.5	-179	0	0	0	0	0	114.7	L661	L661-A663 VanDerWaalsContact C-N 3.28Å; L661-A663 PolarHBondContact O-N 3.31Å
664	Q	25.8	Very low	30.3	Very low	128 Å²	128	115.7 Å²	115.7	60%	0.598	63%	0.629	S	S	*	*	S	Bend	trans	-97.1	-18.7	-170.9	-69.2	-171.9	-5.7	0	0	115.5	L662	L662-Q664 VanDerWaalsContact C-N 3.3Å; L662-Q664 PolarHBondContact O-N 3.49Å
665	S	25.8	Very low	30.7	Very low	104 Å²	104	114.3 Å²	114.3	73%	0.727	62%	0.619	S	S	*	*	S	Bend	trans	-86.1	-7.4	-172.3	61	0	0	0	0	115.5
666	S	27.4	Very low	30.7	Very low	100 Å²	100	110.8 Å²	110.8	70%	0.699	62%	0.619	S	S	*	*			trans	-100.1	23.3	-170.8	58	0	0	0	0	115.5
667	K	26.4	Very low	31.1	Very low	158 Å²	158	105.4 Å²	105.4	69%	0.687	60%	0.6	S	S	*	*			trans	-92.5	-3	-173.1	-95.3	-175	-179.3	178.3	0	117.9
668	N	23.9	Very low	31.4	Very low	155 Å²	155	104.2 Å²	104.2	83%	0.829	60%	0.595	S	S	*	*	S	Bend	trans	-120	129.7	-173.1	-70.4	-26.8	0	0	0	113.9
669	M	22.8	Very low	31.7	Very low	164 Å²	164	104.4 Å²	104.4	81%	0.808	59%	0.593	S	S	*	*			trans	85.9	106.7	179.8	-58.2	-173.2	68.1	0	0	115.7	T680	M669-T680 WeakPolarHBondContact O-CB 3.37Å; M669-T680 VanDerWaalsContact O-CG2 3.23Å; M669-T680 WeakPolarHBondContact O-CG2 3.19Å; M669-T680 PolarHBondContact O-OG1 3.25Å
670	R	25.4	Very low	31.6	Very low	184 Å²	184	99.8 Å²	99.8	69%	0.694	57%	0.57	S	S	*	*			trans	-127.8	108.1	-177.9	-64.7	179.1	-178.5	168	-2.8	109.3	N678 T680	R670-N678 WeakPolarHBondContact CA-OD1 3.4Å; R670-T680 VanDerWaalsContact CA-CG2 3.44Å
671	L	23.2	Very low	32	Very low	151 Å²	151	102.9 Å²	102.9	79%	0.791	58%	0.576	S	S	*	*			trans	-112.6	103.4	160.2	-73.2	174.8	0	0	0	104.4	T680	L671-T680 HydrophobicContact CB-CG2 4.19Å
672	S	25.7	Very low	33	Very low	85 Å²	85	101.9 Å²	101.9	59%	0.594	57%	0.574	S	S	*	*			trans	-84.5	130.3	179.8	52.3	0	0	0	0	109.4
673	N	37.5	Very low	35	Very low	55 Å²	55	98.2 Å²	98.2	29%	0.294	55%	0.553	S	S	.	*			trans	-56.5	153.2	153.9	-37.3	34.5	0	0	0	107.2	Y675 G676 L677	N673-Y675 PolarHBondContact O-N 3.29Å; N673-G676 PolarHBondContact O-N 2.99Å; N673-L677 PolarHBondContact OD1-O 2.99Å
674	G	40.9	Very low	37.5	Very low	80 Å²	80	95.9 Å²	95.9	83%	0.825	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-13	-179.7	0	0	0	0	0	115.1
675	Y	43.3	Very low	40.4	Very low	49 Å²	49	89.8 Å²	89.8	19%	0.192	50%	0.502	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	19	179.8	-60.3	-65.5	0	0	0	114.8	H280 D314 F318 T409 N673 L677	H280-Y675 PolarHBondContact CE1-OH 3.48Å; H280-Y675 VanDerWaalsContact CE1-OH 3.27Å; H280-Y675 AromaticContact ND1-CZ 3.86Å; H280-Y675 PolarHBondContact ND1-OH 3.26Å; D314-Y675 HydrophobicContact CB-CD2 4.39Å; D314-Y675 HydrophobicContact CB-CE2 4.03Å; F318-Y675 HydrophobicContact CB-CE1 4.25Å; F318-Y675 AromaticContact CD2-CE1 3.67Å; F318-Y675 HydrophobicContact CD2-CE1 3.67Å; F318-Y675 AromaticContact CD2-CZ 3.86Å; F318-Y675 WeakPolarHBondContact CD2-OH 3.27Å; F318-Y675 HydrophobicContact CG-CE1 4.45Å; T409-Y675 WeakPolarHBondContact CG2-O 3.47Å; N673-Y675 PolarHBondContact O-N 3.29Å; Y675-L677 PolarHBondContact O-N 3.12Å
676	G	36.5	Very low	43.1	Very low	54 Å²	54	89 Å²	89	56%	0.557	48%	0.483	S	S	*	.			trans	73	0.9	166.7	0	0	0	0	0	116	N673 N678	N673-G676 PolarHBondContact O-N 2.99Å; G676-N678 PolarHBondContact O-N 3.45Å
677	L	41.9	Very low	45.5	Very low	20 Å²	20	86.3 Å²	86.3	11%	0.105	47%	0.466	C	S	.	.			trans	-69.4	101	165	-65.5	177.3	0	0	0	107.8	Y317 L402 I406 N673 Y675 L679	Y317-L677 HydrophobicContact CD1-CD1 4.24Å; Y317-L677 HydrophobicContact CD2-CD1 4.42Å; Y317-L677 HydrophobicContact CE1-CD1 3.82Å; Y317-L677 HydrophobicContact CE2-CD1 4.01Å; L402-L677 HydrophobicContact CD1-CD2 3.75Å; I406-L677 HydrophobicContact CG1-CD2 4.18Å; N673-L677 PolarHBondContact OD1-O 2.99Å; Y675-L677 PolarHBondContact O-N 3.12Å; L677-L679 HydrophobicContact CB-CG 4.14Å; L677-L679 PolarHBondContact O-N 2.96Å
678	N	39.6	Very low	47.7	Very low	77 Å²	77	79.7 Å²	79.7	41%	0.412	44%	0.44	S	S	.	.			trans	-74.3	77.8	174.4	-174.5	33.6	0	0	0	109.1	R670 G676 T680	R670-N678 WeakPolarHBondContact CA-OD1 3.4Å; G676-N678 PolarHBondContact O-N 3.45Å; N678-T680 PolarHBondContact O-N 3.39Å; N678-T680 WeakPolarHBondContact OD1-CG2 3.44Å; N678-T680 PolarHBondContact OD1-OG1 3.08Å
679	L	41.4	Very low	49.8	Very low	65 Å²	65	75 Å²	75	34%	0.34	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	26.4	-179.9	-71.9	-177.5	0	0	0	112.6	L677 H681 P682	L677-L679 HydrophobicContact CB-CG 4.14Å; L677-L679 PolarHBondContact O-N 2.96Å; L679-H681 PolarHBondContact O-N 3Å; L679-P682 HydrophobicContact CB-CB 3.67Å; L679-P682 HydrophobicContact CB-CG 4.3Å; L679-P682 HydrophobicContact CD2-CB 3.45Å; L679-P682 VanDerWaalsContact CD2-CB 3.45Å; L679-P682 HydrophobicContact CG-CB 4.01Å; L679-P682 WeakPolarHBondContact O-CB 3.31Å; L679-P682 WeakPolarHBondContact O-CD 3.46Å; L679-P682 VanDerWaalsContact O-CG 3.3Å; L679-P682 WeakPolarHBondContact O-CG 3.41Å
680	T	38.9	Very low	52.3	Low	49 Å²	49	69 Å²	69	30%	0.301	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-19.5	-174.5	48.1	0	0	0	0	115.1	M669 R670 L671 N678	M669-T680 WeakPolarHBondContact O-CB 3.37Å; M669-T680 VanDerWaalsContact O-CG2 3.23Å; M669-T680 WeakPolarHBondContact O-CG2 3.19Å; M669-T680 PolarHBondContact O-OG1 3.25Å; R670-T680 VanDerWaalsContact CA-CG2 3.44Å; L671-T680 HydrophobicContact CB-CG2 4.19Å; N678-T680 PolarHBondContact O-N 3.39Å; N678-T680 WeakPolarHBondContact OD1-CG2 3.44Å; N678-T680 PolarHBondContact OD1-OG1 3.08Å
681	H	38.3	Very low	54.5	Low	184 Å²	184	66.7 Å²	66.7	85%	0.852	39%	0.39	S	S	*	.	S	Bend	trans	-139.2	78.7	157.1	-85.4	-2	0	0	0	108.8	L679 F683	L679-H681 PolarHBondContact O-N 3Å; H681-F683 PolarHBondContact O-N 3.02Å
682	P	50	Low	57	Low	59 Å²	59	61.6 Å²	61.6	38%	0.383	36%	0.36	S	S	.	.			trans	-76.6	118.5	-156	25.6	-21.8	0	0	0	110.1	L679 T684 C689	L679-P682 HydrophobicContact CB-CB 3.67Å; L679-P682 HydrophobicContact CB-CG 4.3Å; L679-P682 HydrophobicContact CD2-CB 3.45Å; L679-P682 VanDerWaalsContact CD2-CB 3.45Å; L679-P682 HydrophobicContact CG-CB 4.01Å; L679-P682 WeakPolarHBondContact O-CB 3.31Å; L679-P682 WeakPolarHBondContact O-CD 3.46Å; L679-P682 VanDerWaalsContact O-CG 3.3Å; L679-P682 WeakPolarHBondContact O-CG 3.41Å; P682-T684 PolarHBondContact O-N 3.11Å; P682-T684 VanDerWaalsContact O-N 3.09Å; P682-C689 PolarHBondContact O-SG 2.81Å
683	F	70.1	Confident	59.5	Low	66 Å²	66	57.7 Å²	57.7	29%	0.289	33%	0.333	S	S	.	.			trans	-50.9	118.3	153.4	176	-99	0	0	0	107.6	F354 W391 H681 F685 H753	F354-F683 AromaticContact CE1-CD1 3.71Å; F354-F683 HydrophobicContact CE1-CD1 3.71Å; F354-F683 AromaticContact CE1-CE1 3.8Å; F354-F683 HydrophobicContact CE1-CE1 3.8Å; F354-F683 HydrophobicContact CZ-CD1 4.11Å; F354-F683 HydrophobicContact CZ-CE1 4.4Å; F354-F683 WeakPolarHBondContact CZ-O 3.46Å; W391-F683 HydrophobicContact CB-CZ 4.38Å; W391-F683 AromaticContact CD1-CE2 3.61Å; W391-F683 AromaticContact CD1-CZ 3.19Å; W391-F683 AromaticContact CD2-CE1 3.8Å; W391-F683 HydrophobicContact CD2-CE1 3.8Å; W391-F683 AromaticContact CD2-CZ 3.55Å; W391-F683 HydrophobicContact CD2-CZ 3.55Å; W391-F683 AromaticContact CE2-CE1 3.49Å; W391-F683 VanDerWaalsContact CE2-CE1 3.49Å; W391-F683 AromaticContact CE2-CZ 3.31Å; W391-F683 HydrophobicContact CE3-CE1 4.28Å; W391-F683 HydrophobicContact CE3-CZ 4.41Å; W391-F683 HydrophobicContact CG-CE1 4.22Å; W391-F683 HydrophobicContact CG-CE2 4.32Å; W391-F683 AromaticContact CG-CZ 3.48Å; W391-F683 HydrophobicContact CG-CZ 3.48Å; W391-F683 VanDerWaalsContact CG-CZ 3.48Å; W391-F683 HydrophobicContact CH2-CE1 4.18Å; W391-F683 HydrophobicContact CZ2-CD1 4.32Å; W391-F683 AromaticContact CZ2-CE1 3.71Å; W391-F683 HydrophobicContact CZ2-CE1 3.71Å; W391-F683 AromaticContact CZ2-CZ 4Å; W391-F683 HydrophobicContact CZ2-CZ 4Å; W391-F683 HydrophobicContact CZ3-CE1 4.45Å; W391-F683 AromaticContact NE1-CE1 3.76Å; W391-F683 AromaticContact NE1-CE2 3.47Å; W391-F683 AromaticContact NE1-CZ 3.09Å; H681-F683 PolarHBondContact O-N 3.02Å; F683-F685 HydrophobicContact CE1-CD1 4.21Å; F683-F685 AromaticContact CE1-CE1 3.57Å; F683-F685 HydrophobicContact CE1-CE1 3.57Å; F683-F685 AromaticContact CE1-CZ 3.78Å; F683-F685 HydrophobicContact CE1-CZ 3.78Å; F683-F685 HydrophobicContact CZ-CD1 4.12Å; F683-F685 AromaticContact CZ-CE1 3.58Å; F683-F685 HydrophobicContact CZ-CE1 3.58Å; F683-F685 HydrophobicContact CZ-CZ 4.25Å; F683-H753 AromaticContact CE2-CE1 3.4Å; F683-H753 WeakPolarHBondContact CE2-CE1 3.31Å; F683-H753 AromaticContact CE2-NE2 3.92Å; F683-H753 AromaticContact CZ-CE1 3.44Å; F683-H753 VanDerWaalsContact CZ-CE1 3.44Å; F683-H753 WeakPolarHBondContact CZ-CE1 3.48Å
684	T	82.3	Confident	61.3	Low	26 Å²	26	61 Å²	61	16%	0.16	35%	0.351	C	S	.	.			trans	-129.2	149.8	-179	169.3	0	0	0	0	108.5	E350 P682 R686 C689 H753	E350-T684 WeakPolarHBondContact OE1-CA 3.41Å; E350-T684 WeakPolarHBondContact OE1-CB 3.43Å; E350-T684 PolarHBondContact OE1-OG1 2.84Å; P682-T684 PolarHBondContact O-N 3.11Å; P682-T684 VanDerWaalsContact O-N 3.09Å; T684-R686 VanDerWaalsContact C-N 3.29Å; T684-R686 VanDerWaalsContact OG1-CB 3.31Å; T684-R686 WeakPolarHBondContact OG1-CB 3.47Å; T684-R686 WeakPolarHBondContact OG1-CG 3.44Å; T684-R686 PolarHBondContact OG1-N 2.99Å; T684-C689 VanDerWaalsContact CG2-SG 3.53Å; T684-C689 PolarHBondContact N-SG 3.44Å; T684-C689 VanDerWaalsContact N-SG 3.4Å; T684-H753 PolarHBondContact O-NE2 2.88Å
685	F	86.6	Confident	63.1	Low	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.328	C	S	.	.	S	Bend	trans	-83.4	-8.4	171.1	-63.5	-58.3	0	0	0	112.4	E350 L353 F354 M384 R387 A388 W391 F683 H753	E350-F685 HydrophobicContact CG-CD2 4.49Å; E350-F685 PolarHBondContact OE1-N 2.66Å; L353-F685 HydrophobicContact CB-CD2 4.03Å; L353-F685 HydrophobicContact CB-CE2 3.99Å; L353-F685 HydrophobicContact CD1-CD2 4.41Å; F354-F685 HydrophobicContact CD1-CD2 4.26Å; F354-F685 AromaticContact CD1-CE2 3.49Å; F354-F685 HydrophobicContact CD1-CE2 3.49Å; F354-F685 VanDerWaalsContact CD1-CE2 3.49Å; F354-F685 HydrophobicContact CD1-CZ 4.1Å; F354-F685 HydrophobicContact CD2-CE2 4.47Å; F354-F685 AromaticContact CE1-CD2 3.91Å; F354-F685 HydrophobicContact CE1-CD2 3.91Å; F354-F685 AromaticContact CE1-CE2 3.38Å; F354-F685 HydrophobicContact CE1-CE2 3.38Å; F354-F685 AromaticContact CE1-CZ 3.84Å; F354-F685 HydrophobicContact CE1-CZ 3.84Å; F354-F685 HydrophobicContact CE2-CD2 4.25Å; F354-F685 HydrophobicContact CE2-CE2 4.4Å; F354-F685 HydrophobicContact CG-CE2 4.06Å; F354-F685 AromaticContact CZ-CD2 3.91Å; F354-F685 HydrophobicContact CZ-CD2 3.91Å; F354-F685 AromaticContact CZ-CE2 3.88Å; F354-F685 HydrophobicContact CZ-CE2 3.88Å; M384-F685 HydrophobicContact CG-CB 3.43Å; M384-F685 VanDerWaalsContact CG-CB 3.43Å; M384-F685 HydrophobicContact SD-CB 4.41Å; R387-F685 HydrophobicContact CB-CD1 4.46Å; R387-F685 WeakPolarHBondContact CD-O 3.47Å; R387-F685 PolarHBondContact NH1-O 2.88Å; A388-F685 HydrophobicContact CB-CD1 3.93Å; A388-F685 HydrophobicContact CB-CD2 4.07Å; A388-F685 HydrophobicContact CB-CE1 3.94Å; A388-F685 HydrophobicContact CB-CE2 4.05Å; A388-F685 HydrophobicContact CB-CG 4.01Å; A388-F685 HydrophobicContact CB-CZ 4Å; W391-F685 HydrophobicContact CB-CE1 3.8Å; W391-F685 AromaticContact CD2-CE1 3.94Å; W391-F685 HydrophobicContact CD2-CE1 3.94Å; W391-F685 HydrophobicContact CD2-CZ 4.11Å; W391-F685 AromaticContact CE3-CE1 3.86Å; W391-F685 HydrophobicContact CE3-CE1 3.86Å; W391-F685 AromaticContact CE3-CZ 3.58Å; W391-F685 HydrophobicContact CE3-CZ 3.58Å; W391-F685 AromaticContact CG-CE1 3.93Å; W391-F685 HydrophobicContact CG-CE1 3.93Å; W391-F685 HydrophobicContact CZ3-CZ 4.04Å; F683-F685 HydrophobicContact CE1-CD1 4.21Å; F683-F685 AromaticContact CE1-CE1 3.57Å; F683-F685 HydrophobicContact CE1-CE1 3.57Å; F683-F685 AromaticContact CE1-CZ 3.78Å; F683-F685 HydrophobicContact CE1-CZ 3.78Å; F683-F685 HydrophobicContact CZ-CD1 4.12Å; F683-F685 AromaticContact CZ-CE1 3.58Å; F683-F685 HydrophobicContact CZ-CE1 3.58Å; F683-F685 HydrophobicContact CZ-CZ 4.25Å; F685-H753 AromaticContact CD1-CE1 3.75Å
686	R	82.3	Confident	65.1	Low	89 Å²	89	58 Å²	58	34%	0.336	32%	0.319	S	S	.	.	S	Bend	trans	-72.3	-31.1	-179.9	-63.7	176.9	-170.7	-145.2	-4.2	113.7	E347 E350 M384 R387 T684	E347-R686 VanDerWaalsContact CA-NH2 3.31Å; E347-R686 IonicContact OE1-CZ 3.38Å; E347-R686 VanDerWaalsContact OE1-CZ 3.26Å; E347-R686 IonicContact OE1-NH1 2.68Å; E347-R686 PolarHBondContact OE1-NH1 2.91Å; E347-R686 IonicContact OE1-NH2 2.73Å; E347-R686 PolarHBondContact OE1-NH2 3.23Å; E347-R686 IonicContact OE2-NH2 2.69Å; E350-R686 IonicContact OE2-CZ 2.6Å; E350-R686 IonicContact OE2-NE 3.69Å; E350-R686 PolarHBondContact OE2-NE 3.37Å; E350-R686 IonicContact OE2-NH2 3.38Å; E350-R686 PolarHBondContact OE2-NH2 3.3Å; M384-R686 HydrophobicContact CE-CG 3.55Å; R387-R686 PolarHBondContact NH1-O 3.44Å; T684-R686 VanDerWaalsContact C-N 3.29Å; T684-R686 VanDerWaalsContact OG1-CB 3.31Å; T684-R686 WeakPolarHBondContact OG1-CB 3.47Å; T684-R686 WeakPolarHBondContact OG1-CG 3.44Å; T684-R686 PolarHBondContact OG1-N 2.99Å
687	A	78.1	Confident	67.3	Low	42 Å²	42	56.6 Å²	56.6	35%	0.347	30%	0.299	S	S	.	.	S	Bend	trans	-154.2	157	-179.4	0	0	0	0	0	111.8	C689	A687-C689 PolarHBondContact O-N 3.1Å; A687-C689 PolarHBondContact O-SG 3.45Å
688	P	72.8	Confident	69.3	Low	19 Å²	19	58.6 Å²	58.6	12%	0.123	31%	0.312	C	S	.	.			trans	-64	128.9	168.7	-16	29.9	0	0	0	110.9	A693 L752	P688-A693 HydrophobicContact CB-CB 3.85Å; P688-L752 HydrophobicContact CB-CD2 4.05Å; P688-L752 HydrophobicContact CB-CG 4.42Å; P688-L752 HydrophobicContact CG-CD2 4.23Å
689	C	68.3	Low	71.5	Confident	57 Å²	57	55.5 Å²	55.5	39%	0.385	30%	0.295	S	S	.	.			trans	-96.6	-2.1	-174.9	-52.9	0	0	0	0	113.7	P682 T684 A687	P682-C689 PolarHBondContact O-SG 2.81Å; T684-C689 VanDerWaalsContact CG2-SG 3.53Å; T684-C689 PolarHBondContact N-SG 3.44Å; T684-C689 VanDerWaalsContact N-SG 3.4Å; A687-C689 PolarHBondContact O-N 3.1Å; A687-C689 PolarHBondContact O-SG 3.45Å
690	Q	74.8	Confident	73.9	Confident	39 Å²	39	52.4 Å²	52.4	18%	0.182	28%	0.279	C	S	.	.	S	Bend	trans	-72.6	147.8	-174.1	-59.6	89.1	-7.4	0	0	111.7	Y692 A693	Q690-Y692 HydrophobicContact CB-CD1 4.16Å; Q690-Y692 HydrophobicContact CB-CD2 3.98Å; Q690-Y692 HydrophobicContact CB-CE1 3.77Å; Q690-Y692 HydrophobicContact CB-CE2 3.52Å; Q690-Y692 HydrophobicContact CB-CG 4.28Å; Q690-Y692 VanDerWaalsContact CB-CZ 3.44Å; Q690-Y692 HydrophobicContact CG-CE1 4.22Å; Q690-Y692 HydrophobicContact CG-CE2 4.01Å; Q690-Y692 WeakPolarHBondContact CG-OH 3.46Å; Q690-Y692 PolarHBondContact O-N 2.96Å; Q690-A693 WeakPolarHBondContact O-CB 3.48Å; Q690-A693 PolarHBondContact O-N 3.19Å
691	N	72.4	Confident	76.2	Confident	134 Å²	134	53 Å²	53	72%	0.717	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.8	-177.7	-65.2	-20.7	0	0	0	114.7
692	Y	75.6	Confident	78.5	Confident	45 Å²	45	44.5 Å²	44.5	18%	0.176	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-2.7	176.7	53.3	-109.8	0	0	0	112.8	Q690 D694 D695 M696 L752 P761	Q690-Y692 HydrophobicContact CB-CD1 4.16Å; Q690-Y692 HydrophobicContact CB-CD2 3.98Å; Q690-Y692 HydrophobicContact CB-CE1 3.77Å; Q690-Y692 HydrophobicContact CB-CE2 3.52Å; Q690-Y692 HydrophobicContact CB-CG 4.28Å; Q690-Y692 VanDerWaalsContact CB-CZ 3.44Å; Q690-Y692 HydrophobicContact CG-CE1 4.22Å; Q690-Y692 HydrophobicContact CG-CE2 4.01Å; Q690-Y692 WeakPolarHBondContact CG-OH 3.46Å; Q690-Y692 PolarHBondContact O-N 2.96Å; Y692-D694 PolarHBondContact O-N 3.25Å; Y692-D695 PolarHBondContact O-N 3.22Å; Y692-M696 HydrophobicContact CD2-CG 3.95Å; Y692-M696 WeakPolarHBondContact O-CB 3.48Å; Y692-M696 VanDerWaalsContact O-CG 3.31Å; Y692-M696 WeakPolarHBondContact O-CG 3.26Å; Y692-M696 PolarHBondContact O-N 3.46Å; Y692-L752 HydrophobicContact CD2-CD1 4.29Å; Y692-L752 HydrophobicContact CE2-CD1 3.73Å; Y692-L752 HydrophobicContact CE2-CG 4.31Å; Y692-P761 HydrophobicContact CD2-CG 4.09Å; Y692-P761 HydrophobicContact CE1-CG 4.27Å; Y692-P761 HydrophobicContact CE2-CB 4.49Å; Y692-P761 HydrophobicContact CE2-CG 3.49Å; Y692-P761 VanDerWaalsContact CE2-CG 3.49Å
693	A	78.8	Confident	80.4	Confident	3 Å²	3	41.7 Å²	41.7	3%	0.025	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-45.1	-173.2	0	0	0	0	0	112.2	P688 Q690 D695 M696 N697 L752	P688-A693 HydrophobicContact CB-CB 3.85Å; Q690-A693 WeakPolarHBondContact O-CB 3.48Å; Q690-A693 PolarHBondContact O-N 3.19Å; A693-D695 PolarHBondContact O-N 3.44Å; A693-M696 CarbonylContact O-C 3.57Å; A693-M696 PolarHBondContact O-N 3.15Å; A693-N697 WeakPolarHBondContact O-CB 3.29Å; A693-N697 PolarHBondContact O-N 3.31Å; A693-N697 PolarHBondContact O-ND2 3.01Å; A693-N697 PolarHBondContact O-OD1 3.3Å; A693-L752 HydrophobicContact CB-CD2 4.27Å
694	D	75.5	Confident	81.4	Confident	123 Å²	123	38.6 Å²	38.6	66%	0.658	21%	0.206	S	C	*	.	H	α-helix	trans	-62.5	-45.8	179.7	-66.9	-27.7	0	0	0	112.3	Y692 M696 N697 V698	Y692-D694 PolarHBondContact O-N 3.25Å; D694-M696 VanDerWaalsContact C-N 3.33Å; D694-M696 PolarHBondContact O-N 3.23Å; D694-N697 WeakPolarHBondContact O-CB 3.37Å; D694-N697 PolarHBondContact O-N 2.83Å; D694-V698 WeakPolarHBondContact O-CG2 3.19Å; D694-V698 PolarHBondContact O-N 2.84Å; D694-V698 VanDerWaalsContact O-N 3.16Å
695	D	78.4	Confident	81.8	Confident	66 Å²	66	39.7 Å²	39.7	35%	0.353	21%	0.21	S	C	.	.	H	α-helix	trans	-63.9	-40.2	177.6	-74.2	-21.5	0	0	0	110.8	Y692 A693 L699 L800	Y692-D695 PolarHBondContact O-N 3.22Å; A693-D695 PolarHBondContact O-N 3.44Å; D695-L699 PolarHBondContact O-N 3.14Å; D695-L800 HydrophobicContact CB-CD1 3.27Å
696	M	84.7	Confident	81.9	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-67.9	-37.8	174.9	-71.4	-65.3	-67.2	0	0	112	Y692 A693 D694 V698 L699 F700 L752 P761 L800	Y692-M696 HydrophobicContact CD2-CG 3.95Å; Y692-M696 WeakPolarHBondContact O-CB 3.48Å; Y692-M696 VanDerWaalsContact O-CG 3.31Å; Y692-M696 WeakPolarHBondContact O-CG 3.26Å; Y692-M696 PolarHBondContact O-N 3.46Å; A693-M696 CarbonylContact O-C 3.57Å; A693-M696 PolarHBondContact O-N 3.15Å; D694-M696 VanDerWaalsContact C-N 3.33Å; D694-M696 PolarHBondContact O-N 3.23Å; M696-V698 VanDerWaalsContact C-N 3.31Å; M696-V698 PolarHBondContact O-N 3.49Å; M696-L699 HydrophobicContact CE-CD2 4.31Å; M696-L699 WeakPolarHBondContact O-CB 3.45Å; M696-L699 PolarHBondContact O-N 2.96Å; M696-L699 VanDerWaalsContact O-N 3.13Å; M696-L699 HydrophobicContact SD-CD2 4.24Å; M696-F700 HydrophobicContact CB-CD2 4.43Å; M696-F700 HydrophobicContact CB-CE2 4Å; M696-F700 HydrophobicContact CB-CZ 4.16Å; M696-F700 HydrophobicContact CE-CD1 4.39Å; M696-F700 HydrophobicContact CE-CE1 3.39Å; M696-F700 HydrophobicContact CE-CE2 4.33Å; M696-F700 HydrophobicContact CE-CZ 3.37Å; M696-F700 WeakPolarHBondContact O-CB 3.49Å; M696-F700 VanDerWaalsContact O-CD2 3.26Å; M696-F700 WeakPolarHBondContact O-CD2 3.49Å; M696-F700 WeakPolarHBondContact O-CG 3.37Å; M696-F700 PolarHBondContact O-N 2.99Å; M696-L752 HydrophobicContact CB-CD1 4.48Å; M696-L752 HydrophobicContact CB-CD2 3.85Å; M696-L752 HydrophobicContact CE-CD1 4.35Å; M696-L752 HydrophobicContact CG-CD1 4.3Å; M696-L752 HydrophobicContact CG-CD2 4.41Å; M696-P761 HydrophobicContact CE-CB 3.73Å; M696-P761 HydrophobicContact SD-CB 4.37Å; M696-L800 HydrophobicContact CG-CD1 3.73Å; M696-L800 HydrophobicContact CG-CG 4.48Å; M696-L800 HydrophobicContact SD-CD1 3.66Å; M696-L800 HydrophobicContact SD-CD2 4.01Å; M696-L800 HydrophobicContact SD-CG 4.09Å
697	N	83.3	Confident	82.3	Confident	25 Å²	25	44 Å²	44	13%	0.134	23%	0.226	C	C	.	.	H	α-helix	trans	-59.5	-44.1	177.4	-72.2	-17.9	0	0	0	110.6	A693 D694 L699 F700 F701 N749	A693-N697 WeakPolarHBondContact O-CB 3.29Å; A693-N697 PolarHBondContact O-N 3.31Å; A693-N697 PolarHBondContact O-ND2 3.01Å; A693-N697 PolarHBondContact O-OD1 3.3Å; D694-N697 WeakPolarHBondContact O-CB 3.37Å; D694-N697 PolarHBondContact O-N 2.83Å; N697-L699 VanDerWaalsContact C-N 3.34Å; N697-L699 PolarHBondContact O-N 3.26Å; N697-F700 PolarHBondContact O-N 2.91Å; N697-F701 WeakPolarHBondContact O-CB 3.38Å; N697-F701 PolarHBondContact O-N 3.46Å; N697-N749 PolarHBondContact OD1-OD1 2.9Å
698	V	84	Confident	82.9	Confident	61 Å²	61	42.3 Å²	42.3	37%	0.37	21%	0.213	S	C	.	.	H	α-helix	trans	-61.5	-44.6	175.3	176.1	0	0	0	0	111	W582 D694 M696 F701 E702	W582-V698 HydrophobicContact CZ2-CG1 4.48Å; D694-V698 WeakPolarHBondContact O-CG2 3.19Å; D694-V698 PolarHBondContact O-N 2.84Å; D694-V698 VanDerWaalsContact O-N 3.16Å; M696-V698 VanDerWaalsContact C-N 3.31Å; M696-V698 PolarHBondContact O-N 3.49Å; V698-F701 PolarHBondContact O-N 3.25Å; V698-E702 PolarHBondContact O-N 3.46Å
699	L	85.9	Confident	83.7	Confident	12 Å²	12	47.1 Å²	47.1	6%	0.063	23%	0.231	C	C	.	.	H	α-helix	trans	-60.5	-46.6	177.1	-172.7	86.1	0	0	0	111.8	D695 M696 N697 F701 E702 Y703 L762 L765 L781 I785	D695-L699 PolarHBondContact O-N 3.14Å; M696-L699 HydrophobicContact CE-CD2 4.31Å; M696-L699 WeakPolarHBondContact O-CB 3.45Å; M696-L699 PolarHBondContact O-N 2.96Å; M696-L699 VanDerWaalsContact O-N 3.13Å; M696-L699 HydrophobicContact SD-CD2 4.24Å; N697-L699 VanDerWaalsContact C-N 3.34Å; N697-L699 PolarHBondContact O-N 3.26Å; L699-F701 VanDerWaalsContact C-N 3.34Å; L699-F701 PolarHBondContact O-N 3.05Å; L699-E702 PolarHBondContact O-N 2.58Å; L699-Y703 WeakPolarHBondContact O-CB 3.32Å; L699-Y703 PolarHBondContact O-N 2.9Å; L699-L762 HydrophobicContact CD2-CD1 4.09Å; L699-L765 HydrophobicContact CD2-CD2 3.93Å; L699-L781 HydrophobicContact CD1-CD1 3.85Å; L699-L781 HydrophobicContact CD1-CD2 4.39Å; L699-L781 HydrophobicContact CD1-CG 4.09Å; L699-L781 HydrophobicContact CD2-CD2 4.28Å; L699-L781 HydrophobicContact CG-CD1 4.32Å; L699-L781 HydrophobicContact CG-CD2 4.42Å; L699-I785 HydrophobicContact CD1-CD1 3.59Å; L699-I785 HydrophobicContact CD1-CG1 3.47Å; L699-I785 VanDerWaalsContact CD1-CG1 3.47Å; L699-I785 HydrophobicContact CD2-CD1 4.31Å
700	F	90.5	Very high	84.7	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.9	-40.2	-179.8	-65.1	-28.4	0	0	0	111.7	M696 N697 Y703 S704 Y745 L748 N749 W751 L752 L765	M696-F700 HydrophobicContact CB-CD2 4.43Å; M696-F700 HydrophobicContact CB-CE2 4Å; M696-F700 HydrophobicContact CB-CZ 4.16Å; M696-F700 HydrophobicContact CE-CD1 4.39Å; M696-F700 HydrophobicContact CE-CE1 3.39Å; M696-F700 HydrophobicContact CE-CE2 4.33Å; M696-F700 HydrophobicContact CE-CZ 3.37Å; M696-F700 WeakPolarHBondContact O-CB 3.49Å; M696-F700 VanDerWaalsContact O-CD2 3.26Å; M696-F700 WeakPolarHBondContact O-CD2 3.49Å; M696-F700 WeakPolarHBondContact O-CG 3.37Å; M696-F700 PolarHBondContact O-N 2.99Å; N697-F700 PolarHBondContact O-N 2.91Å; F700-Y703 PolarHBondContact O-N 2.95Å; F700-S704 VanDerWaalsContact O-CB 3.23Å; F700-S704 WeakPolarHBondContact O-CB 3.22Å; F700-S704 PolarHBondContact O-N 3.13Å; F700-S704 PolarHBondContact O-OG 3.47Å; F700-Y745 HydrophobicContact CB-CD2 3.95Å; F700-Y745 HydrophobicContact CB-CE2 4.13Å; F700-L748 HydrophobicContact CB-CB 3.98Å; F700-L748 HydrophobicContact CB-CD1 3.84Å; F700-L748 HydrophobicContact CD1-CB 3.75Å; F700-L748 HydrophobicContact CD1-CD1 3.72Å; F700-L748 HydrophobicContact CD1-CD2 4.07Å; F700-L748 HydrophobicContact CD1-CG 4.06Å; F700-L748 HydrophobicContact CD2-CB 3.7Å; F700-L748 HydrophobicContact CE1-CB 3.99Å; F700-L748 HydrophobicContact CE1-CD1 4.45Å; F700-L748 HydrophobicContact CE1-CD2 3.97Å; F700-L748 HydrophobicContact CE1-CG 4.37Å; F700-L748 HydrophobicContact CE2-CB 3.97Å; F700-L748 WeakPolarHBondContact CE2-O 3.38Å; F700-L748 HydrophobicContact CG-CB 3.56Å; F700-L748 HydrophobicContact CG-CD1 3.94Å; F700-L748 HydrophobicContact CG-CG 4.27Å; F700-L748 HydrophobicContact CZ-CB 4.1Å; F700-N749 WeakPolarHBondContact CD2-OD1 3.2Å; F700-W751 HydrophobicContact CE1-CZ3 4.17Å; F700-W751 HydrophobicContact CZ-CE3 4.01Å; F700-W751 AromaticContact CZ-CZ3 3.83Å; F700-W751 HydrophobicContact CZ-CZ3 3.83Å; F700-L752 HydrophobicContact CE2-CB 3.93Å; F700-L752 HydrophobicContact CE2-CD1 4.39Å; F700-L752 HydrophobicContact CE2-CD2 3.86Å; F700-L752 HydrophobicContact CE2-CG 4.28Å; F700-L752 HydrophobicContact CZ-CB 4.26Å; F700-L752 HydrophobicContact CZ-CD1 4.21Å; F700-L752 HydrophobicContact CZ-CD2 4.46Å; F700-L765 HydrophobicContact CD1-CD2 4.42Å; F700-L765 HydrophobicContact CE1-CD2 4.06Å
701	F	88.1	Confident	85.4	Confident	61 Å²	61	49.8 Å²	49.8	27%	0.268	25%	0.253	S	S	.	.	H	α-helix	trans	-61.9	-48.3	175.6	-175.1	-93	0	0	0	110.9	N697 V698 L699 Y703 S704 H705 Y745	N697-F701 WeakPolarHBondContact O-CB 3.38Å; N697-F701 PolarHBondContact O-N 3.46Å; V698-F701 PolarHBondContact O-N 3.25Å; L699-F701 VanDerWaalsContact C-N 3.34Å; L699-F701 PolarHBondContact O-N 3.05Å; F701-Y703 PolarHBondContact O-N 2.97Å; F701-S704 PolarHBondContact O-N 3.48Å; F701-H705 AromaticContact CD2-CE1 3.49Å; F701-H705 VanDerWaalsContact CD2-CE1 3.49Å; F701-H705 WeakPolarHBondContact CD2-CE1 3.42Å; F701-H705 AromaticContact CD2-ND1 3.57Å; F701-H705 AromaticContact CE2-CE1 3.2Å; F701-H705 WeakPolarHBondContact CE2-CE1 3.3Å; F701-H705 AromaticContact CE2-ND1 3.51Å; F701-H705 AromaticContact CE2-NE2 3.77Å; F701-H705 AromaticContact CG-ND1 3.87Å; F701-H705 AromaticContact CZ-CE1 3.76Å; F701-H705 AromaticContact CZ-ND1 3.76Å; F701-H705 WeakPolarHBondContact O-CB 3.19Å; F701-H705 PolarHBondContact O-N 2.95Å; F701-H705 VanDerWaalsContact O-N 3.08Å; F701-H705 PolarHBondContact O-ND1 2.9Å; F701-Y745 HydrophobicContact CB-CD2 4.05Å; F701-Y745 HydrophobicContact CB-CE2 3.76Å; F701-Y745 HydrophobicContact CD2-CD2 4.41Å; F701-Y745 HydrophobicContact CD2-CE2 4.3Å
702	E	87.1	Confident	86.3	Confident	6 Å²	6	43.6 Å²	43.6	3%	0.028	22%	0.22	C	C	.	.	H	α-helix	trans	-60	-45.8	177.3	-176.1	172.1	-157.1	0	0	111.4	V698 L699 R706 Y707 R784	V698-E702 PolarHBondContact O-N 3.46Å; L699-E702 PolarHBondContact O-N 2.58Å; E702-R706 VanDerWaalsContact O-CB 3.32Å; E702-R706 WeakPolarHBondContact O-CB 3.09Å; E702-R706 PolarHBondContact O-N 3.47Å; E702-R706 VanDerWaalsContact O-N 3.08Å; E702-R706 IonicContact OE1-CZ 3.46Å; E702-R706 IonicContact OE1-NH1 2.76Å; E702-R706 PolarHBondContact OE1-NH1 3.03Å; E702-Y707 HydrophobicContact CG-CE2 4.24Å; E702-R784 IonicContact OE1-NE 3.24Å
703	Y	89.3	Confident	87.2	Confident	1 Å²	1	41.7 Å²	41.7	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-58.7	-51.6	177.7	173.6	-98.8	0	0	0	112.6	L699 F700 F701 H705 Y707 A708 L716 T744 L748 L769	L699-Y703 WeakPolarHBondContact O-CB 3.32Å; L699-Y703 PolarHBondContact O-N 2.9Å; F700-Y703 PolarHBondContact O-N 2.95Å; F701-Y703 PolarHBondContact O-N 2.97Å; Y703-H705 VanDerWaalsContact C-N 3.32Å; Y703-H705 PolarHBondContact O-N 3.34Å; Y703-Y707 HydrophobicContact CD2-CD2 4.45Å; Y703-Y707 WeakPolarHBondContact O-CA 3.12Å; Y703-Y707 PolarHBondContact O-N 2.95Å; Y703-A708 HydrophobicContact CE1-CB 4.14Å; Y703-A708 PolarHBondContact O-N 3.28Å; Y703-L716 HydrophobicContact CE1-CD1 4.31Å; Y703-T744 HydrophobicContact CD1-CG2 3.94Å; Y703-T744 HydrophobicContact CE1-CG2 3.65Å; Y703-L748 HydrophobicContact CD1-CD1 3.74Å; Y703-L748 HydrophobicContact CE1-CD1 4.32Å; Y703-L769 HydrophobicContact CE1-CD2 4.34Å; Y703-L769 HydrophobicContact CE2-CD1 4.07Å; Y703-L769 HydrophobicContact CE2-CD2 3.71Å; Y703-L769 VanDerWaalsContact CZ-CD2 3.47Å; Y703-L769 WeakPolarHBondContact OH-CD2 3.27Å
704	S	91.5	Very high	88	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-38.1	-174.6	-57.1	0	0	0	0	112.2	F700 F701 A708 K741 T744 Y745	F700-S704 VanDerWaalsContact O-CB 3.23Å; F700-S704 WeakPolarHBondContact O-CB 3.22Å; F700-S704 PolarHBondContact O-N 3.13Å; F700-S704 PolarHBondContact O-OG 3.47Å; F701-S704 PolarHBondContact O-N 3.48Å; S704-A708 WeakPolarHBondContact O-CB 3.44Å; S704-K741 WeakPolarHBondContact CB-O 3.42Å; S704-K741 WeakPolarHBondContact O-CG 3.14Å; S704-T744 WeakPolarHBondContact OG-CG2 3.48Å; S704-Y745 VanDerWaalsContact OG-CA 3.28Å; S704-Y745 WeakPolarHBondContact OG-CA 3.21Å; S704-Y745 PolarHBondContact OG-N 2.82Å; S704-Y745 VanDerWaalsContact OG-N 3.16Å
705	H	90.2	Very high	88.9	Confident	49 Å²	49	41.3 Å²	41.3	23%	0.227	21%	0.211	C	C	.	.	H	α-helix	trans	-87.2	-27.9	-174.4	-71.5	80.6	0	0	0	114.4	F701 Y703 K741 E742	F701-H705 AromaticContact CD2-CE1 3.49Å; F701-H705 VanDerWaalsContact CD2-CE1 3.49Å; F701-H705 WeakPolarHBondContact CD2-CE1 3.42Å; F701-H705 AromaticContact CD2-ND1 3.57Å; F701-H705 AromaticContact CE2-CE1 3.2Å; F701-H705 WeakPolarHBondContact CE2-CE1 3.3Å; F701-H705 AromaticContact CE2-ND1 3.51Å; F701-H705 AromaticContact CE2-NE2 3.77Å; F701-H705 AromaticContact CG-ND1 3.87Å; F701-H705 AromaticContact CZ-CE1 3.76Å; F701-H705 AromaticContact CZ-ND1 3.76Å; F701-H705 WeakPolarHBondContact O-CB 3.19Å; F701-H705 PolarHBondContact O-N 2.95Å; F701-H705 VanDerWaalsContact O-N 3.08Å; F701-H705 PolarHBondContact O-ND1 2.9Å; Y703-H705 VanDerWaalsContact C-N 3.32Å; Y703-H705 PolarHBondContact O-N 3.34Å; H705-K741 PolarHBondContact O-NZ 3.31Å; H705-E742 IonicContact CE1-OE1 3.95Å; H705-E742 IonicContact NE2-OE1 3.21Å; H705-E742 PolarHBondContact NE2-OE1 3.44Å
706	R	89.1	Confident	89.7	Confident	127 Å²	127	38.2 Å²	38.2	48%	0.479	19%	0.194	S	C	.	.	H	α-helix	trans	-107.2	-34.5	-174.9	-61	-171.3	-177.7	168.5	7.5	114.9	E702	E702-R706 VanDerWaalsContact O-CB 3.32Å; E702-R706 WeakPolarHBondContact O-CB 3.09Å; E702-R706 PolarHBondContact O-N 3.47Å; E702-R706 VanDerWaalsContact O-N 3.08Å; E702-R706 IonicContact OE1-CZ 3.46Å; E702-R706 IonicContact OE1-NH1 2.76Å; E702-R706 PolarHBondContact OE1-NH1 3.03Å
707	Y	89.7	Confident	90.2	Very high	52 Å²	52	38.1 Å²	38.1	20%	0.204	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-29	-166.4	-58.5	-60.8	0	0	0	113.7	E702 Y703 R774 T777 L781	E702-Y707 HydrophobicContact CG-CE2 4.24Å; Y703-Y707 HydrophobicContact CD2-CD2 4.45Å; Y703-Y707 WeakPolarHBondContact O-CA 3.12Å; Y703-Y707 PolarHBondContact O-N 2.95Å; Y707-R774 PolarHBondContact O-NH1 3.23Å; Y707-T777 HydrophobicContact CD1-CG2 4.34Å; Y707-L781 HydrophobicContact CE2-CD1 4.42Å
708	A	89.9	Confident	90.7	Very high	8 Å²	8	43.8 Å²	43.8	7%	0.066	22%	0.218	C	C	.	.			trans	-64.8	143.7	179.8	0	0	0	0	0	112.1	Y703 S704 Y740 T744	Y703-A708 HydrophobicContact CE1-CB 4.14Å; Y703-A708 PolarHBondContact O-N 3.28Å; S704-A708 WeakPolarHBondContact O-CB 3.44Å; A708-Y740 WeakPolarHBondContact O-CE2 3.25Å; A708-T744 HydrophobicContact CB-CG2 4.03Å
709	K	91.3	Very high	91.1	Very high	119 Å²	119	44.8 Å²	44.8	52%	0.517	22%	0.217	S	C	.	.			trans	-112.6	163.9	166.3	-61.5	-179.3	-155.2	165.3	0	110.2	S711 D712 R774	K709-S711 PolarHBondContact O-N 3.28Å; K709-D712 PolarHBondContact N-OD2 3.33Å; K709-D712 WeakPolarHBondContact O-CB 3.2Å; K709-D712 PolarHBondContact O-N 2.87Å; K709-R774 VanDerWaalsContact CE-NH2 3.32Å
710	P	88.9	Confident	91.4	Very high	77 Å²	77	45.5 Å²	45.5	50%	0.5	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-32.5	-175.3	-29.6	34.9	0	0	0	116.4	W713 Y740	P710-W713 VanDerWaalsContact O-CD1 3.24Å; P710-Y740 HydrophobicContact CB-CD1 4.13Å; P710-Y740 HydrophobicContact CB-CG 4.1Å; P710-Y740 HydrophobicContact CG-CD1 3.71Å; P710-Y740 HydrophobicContact CG-CD2 4.35Å; P710-Y740 HydrophobicContact CG-CE1 3.71Å; P710-Y740 HydrophobicContact CG-CE2 4.36Å; P710-Y740 HydrophobicContact CG-CG 4.04Å
711	S	89.5	Confident	91.5	Very high	75 Å²	75	48.1 Å²	48.1	52%	0.524	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-17.4	-179	56.7	0	0	0	0	114.5	K709 S715	K709-S711 PolarHBondContact O-N 3.28Å; S711-S715 PolarHBondContact O-N 3.45Å; S711-S715 PolarHBondContact O-OG 3.43Å; S711-S715 VanDerWaalsContact O-OG 3.12Å
712	D	91.5	Very high	91.8	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.027	24%	0.236	C	C	.	.	H	α-helix	trans	-70.6	-43.9	-166.4	-64.7	-18.9	0	0	0	111.9	K709 K714 S715 L716 I772 R774	K709-D712 PolarHBondContact N-OD2 3.33Å; K709-D712 WeakPolarHBondContact O-CB 3.2Å; K709-D712 PolarHBondContact O-N 2.87Å; D712-K714 PolarHBondContact O-N 2.84Å; D712-S715 CarbonylContact O-C 3.44Å; D712-S715 WeakPolarHBondContact O-CB 3.28Å; D712-S715 PolarHBondContact O-N 3.48Å; D712-S715 VanDerWaalsContact O-N 3.12Å; D712-L716 WeakPolarHBondContact O-CG 3.31Å; D712-L716 PolarHBondContact O-N 3.45Å; D712-I772 HydrophobicContact CB-CD1 4.04Å; D712-R774 IonicContact OD1-CZ 2.77Å; D712-R774 VanDerWaalsContact OD1-CZ 3.23Å; D712-R774 IonicContact OD1-NE 2.75Å; D712-R774 PolarHBondContact OD1-NE 3.04Å; D712-R774 VanDerWaalsContact OD1-NE 3.09Å; D712-R774 IonicContact OD1-NH2 3.16Å; D712-R774 PolarHBondContact OD1-NH2 3.02Å; D712-R774 IonicContact OD2-CZ 3.26Å; D712-R774 IonicContact OD2-NE 3.76Å; D712-R774 PolarHBondContact OD2-NE 2.91Å; D712-R774 IonicContact OD2-NH1 3.19Å; D712-R774 IonicContact OD2-NH2 2.77Å; D712-R774 PolarHBondContact OD2-NH2 3.49Å
713	W	94	Very high	92.1	Very high	5 Å²	5	47.9 Å²	47.9	2%	0.019	25%	0.249	C	C	.	.	H	α-helix	trans	-65.2	-41.7	-172.3	79.5	-87.5	0	0	0	112.1	P710 S715 L716 A717 I727 I730 E731 H743 T744 L747	P710-W713 VanDerWaalsContact O-CD1 3.24Å; W713-S715 VanDerWaalsContact C-N 3.31Å; W713-S715 PolarHBondContact O-N 3.39Å; W713-L716 PolarHBondContact O-N 2.77Å; W713-A717 VanDerWaalsContact O-CB 3.31Å; W713-A717 WeakPolarHBondContact O-CB 3.25Å; W713-A717 PolarHBondContact O-N 3.05Å; W713-I727 HydrophobicContact CH2-CG2 3.79Å; W713-I727 HydrophobicContact CZ3-CG2 4.02Å; W713-I730 HydrophobicContact CH2-CB 4.44Å; W713-I730 HydrophobicContact CH2-CG2 4.24Å; W713-I730 HydrophobicContact CZ3-CB 4.2Å; W713-I730 HydrophobicContact CZ3-CG2 3.92Å; W713-E731 HydrophobicContact CH2-CB 3.87Å; W713-E731 HydrophobicContact CZ2-CB 4.07Å; W713-E731 HydrophobicContact CZ2-CG 4.42Å; W713-H743 HydrophobicContact CD2-CB 3.7Å; W713-H743 AromaticContact CE2-ND1 3.87Å; W713-H743 HydrophobicContact CE3-CB 3.94Å; W713-H743 HydrophobicContact CG-CB 4.14Å; W713-H743 HydrophobicContact CH2-CB 4.25Å; W713-H743 HydrophobicContact CZ2-CB 4.03Å; W713-H743 AromaticContact CZ2-ND1 3.69Å; W713-H743 HydrophobicContact CZ3-CB 4.21Å; W713-T744 HydrophobicContact CB-CG2 4.43Å; W713-T744 WeakPolarHBondContact CB-OG1 3.26Å; W713-L747 HydrophobicContact CB-CD2 4.28Å; W713-L747 HydrophobicContact CE3-CD2 4.37Å; W713-L747 WeakPolarHBondContact O-CD2 3.48Å
714	K	94.7	Very high	92.3	Very high	67 Å²	67	54.3 Å²	54.3	29%	0.291	28%	0.283	S	S	.	.	H	α-helix	trans	-64.8	-35.8	174	-60.9	-167.2	-173.3	-171.3	0	112	D712 K718 I727 E731	D712-K714 PolarHBondContact O-N 2.84Å; K714-K718 VanDerWaalsContact O-CG 3.28Å; K714-K718 WeakPolarHBondContact O-CG 3.42Å; K714-K718 PolarHBondContact O-N 3.39Å; K714-I727 HydrophobicContact CD-CG2 4.27Å; K714-I727 HydrophobicContact CG-CG2 4.15Å; K714-E731 WeakPolarHBondContact CE-OE1 3.4Å; K714-E731 WeakPolarHBondContact CE-OE2 3.47Å; K714-E731 IonicContact NZ-OE1 2.61Å; K714-E731 PolarHBondContact NZ-OE1 3.22Å; K714-E731 IonicContact NZ-OE2 3.59Å; K714-E731 PolarHBondContact NZ-OE2 3.42Å
715	S	95.1	Very high	92.4	Very high	51 Å²	51	58.6 Å²	58.6	36%	0.357	31%	0.306	S	S	.	.	H	α-helix	trans	-68.7	-40.5	175.8	-63.6	0	0	0	0	112	S711 D712 W713 K718 F719	S711-S715 PolarHBondContact O-N 3.45Å; S711-S715 PolarHBondContact O-OG 3.43Å; S711-S715 VanDerWaalsContact O-OG 3.12Å; D712-S715 CarbonylContact O-C 3.44Å; D712-S715 WeakPolarHBondContact O-CB 3.28Å; D712-S715 PolarHBondContact O-N 3.48Å; D712-S715 VanDerWaalsContact O-N 3.12Å; W713-S715 VanDerWaalsContact C-N 3.31Å; W713-S715 PolarHBondContact O-N 3.39Å; S715-K718 PolarHBondContact O-N 3.3Å; S715-F719 WeakPolarHBondContact O-CB 3.37Å; S715-F719 PolarHBondContact O-N 3.32Å
716	L	94.7	Very high	92.6	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.8	-44.7	172.8	-72.1	173	0	0	0	111.4	Y703 D712 W713 K718 F719 W720 L747 A768 L769 I772	Y703-L716 HydrophobicContact CE1-CD1 4.31Å; D712-L716 WeakPolarHBondContact O-CG 3.31Å; D712-L716 PolarHBondContact O-N 3.45Å; W713-L716 PolarHBondContact O-N 2.77Å; L716-K718 VanDerWaalsContact C-N 3.34Å; L716-K718 PolarHBondContact O-N 3.23Å; L716-F719 WeakPolarHBondContact O-CB 3.44Å; L716-F719 PolarHBondContact O-N 2.61Å; L716-F719 VanDerWaalsContact O-N 3.12Å; L716-W720 HydrophobicContact CB-CE3 4.05Å; L716-W720 HydrophobicContact CB-CH2 4.24Å; L716-W720 HydrophobicContact CB-CZ3 3.73Å; L716-W720 HydrophobicContact CD1-CH2 4.34Å; L716-W720 HydrophobicContact CD1-CZ3 4.38Å; L716-W720 HydrophobicContact CD2-CH2 4Å; L716-W720 HydrophobicContact CD2-CZ2 4.31Å; L716-W720 HydrophobicContact CD2-CZ3 4.35Å; L716-W720 HydrophobicContact CG-CH2 4.42Å; L716-W720 HydrophobicContact CG-CZ3 4.36Å; L716-W720 PolarHBondContact O-N 2.93Å; L716-L747 HydrophobicContact CB-CD2 4.01Å; L716-A768 HydrophobicContact CD2-CB 3.77Å; L716-L769 HydrophobicContact CD1-CD2 4.45Å; L716-L769 HydrophobicContact CD2-CD2 4.27Å; L716-I772 HydrophobicContact CD2-CD1 3.95Å; L716-I772 HydrophobicContact CD2-CG1 4.29Å; L716-I772 HydrophobicContact CD2-CG2 4.32Å; L716-I772 HydrophobicContact CG-CD1 3.98Å
717	A	94.9	Very high	92.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.9	-47	176.8	0	0	0	0	0	110.9	W713 F719 W720 G721 F722 I727 L747	W713-A717 VanDerWaalsContact O-CB 3.31Å; W713-A717 WeakPolarHBondContact O-CB 3.25Å; W713-A717 PolarHBondContact O-N 3.05Å; A717-F719 PolarHBondContact O-N 2.83Å; A717-W720 CarbonylContact O-C 3.58Å; A717-W720 PolarHBondContact O-N 3.39Å; A717-G721 PolarHBondContact O-N 2.91Å; A717-G721 VanDerWaalsContact O-N 3.15Å; A717-F722 HydrophobicContact CB-CB 3.93Å; A717-F722 HydrophobicContact CB-CD2 4.25Å; A717-F722 HydrophobicContact CB-CG 4.17Å; A717-F722 WeakPolarHBondContact O-CB 3.44Å; A717-F722 WeakPolarHBondContact O-CD2 3.45Å; A717-F722 PolarHBondContact O-N 3.35Å; A717-I727 HydrophobicContact CB-CD1 3.8Å; A717-I727 HydrophobicContact CB-CG1 3.75Å; A717-L747 HydrophobicContact CB-CD1 3.72Å; A717-L747 HydrophobicContact CB-CD2 3.87Å; A717-L747 HydrophobicContact CB-CG 4.46Å
718	K	94.1	Very high	93	Very high	144 Å²	144	51.1 Å²	51.1	63%	0.626	29%	0.288	S	S	*	.	H	α-helix	trans	-61.6	-41.8	174	-72.5	175	-177.6	-175.4	0	112.6	K714 S715 L716 W720 G721 I727	K714-K718 VanDerWaalsContact O-CG 3.28Å; K714-K718 WeakPolarHBondContact O-CG 3.42Å; K714-K718 PolarHBondContact O-N 3.39Å; S715-K718 PolarHBondContact O-N 3.3Å; L716-K718 VanDerWaalsContact C-N 3.34Å; L716-K718 PolarHBondContact O-N 3.23Å; K718-W720 VanDerWaalsContact C-N 3.32Å; K718-W720 PolarHBondContact O-N 3.18Å; K718-G721 PolarHBondContact O-N 3.33Å; K718-I727 HydrophobicContact CG-CD1 4.3Å
719	F	93.1	Very high	93.3	Very high	82 Å²	82	51 Å²	51	36%	0.36	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-39.2	178.1	179.4	-95.9	0	0	0	112.2	S715 L716 A717 G721 L767 A768 T771	S715-F719 WeakPolarHBondContact O-CB 3.37Å; S715-F719 PolarHBondContact O-N 3.32Å; L716-F719 WeakPolarHBondContact O-CB 3.44Å; L716-F719 PolarHBondContact O-N 2.61Å; L716-F719 VanDerWaalsContact O-N 3.12Å; A717-F719 PolarHBondContact O-N 2.83Å; F719-G721 VanDerWaalsContact C-N 3.33Å; F719-L767 HydrophobicContact CZ-CD2 4.41Å; F719-L767 HydrophobicContact CZ-CG 4.21Å; F719-A768 HydrophobicContact CD1-CB 3.44Å; F719-A768 VanDerWaalsContact CD1-CB 3.44Å; F719-A768 HydrophobicContact CE1-CB 3.46Å; F719-A768 VanDerWaalsContact CE1-CB 3.46Å; F719-A768 HydrophobicContact CG-CB 4.33Å; F719-A768 HydrophobicContact CZ-CB 4.36Å; F719-T771 HydrophobicContact CD2-CG2 4.49Å; F719-T771 VanDerWaalsContact CD2-OG1 3.31Å; F719-T771 WeakPolarHBondContact CD2-OG1 3.45Å; F719-T771 HydrophobicContact CE2-CG2 3.73Å; F719-T771 WeakPolarHBondContact CE2-OG1 3.35Å; F719-T771 HydrophobicContact CZ-CG2 4.24Å
720	W	92.8	Very high	93.4	Very high	26 Å²	26	45.4 Å²	45.4	10%	0.098	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	11.9	177.9	-65	-45.1	0	0	0	114.9	R390 L716 A717 K718 F722 L747 L748 W751 L765 A768	R390-W720 PolarHBondContact NH1-O 2.98Å; R390-W720 VanDerWaalsContact NH1-O 3.13Å; L716-W720 HydrophobicContact CB-CE3 4.05Å; L716-W720 HydrophobicContact CB-CH2 4.24Å; L716-W720 HydrophobicContact CB-CZ3 3.73Å; L716-W720 HydrophobicContact CD1-CH2 4.34Å; L716-W720 HydrophobicContact CD1-CZ3 4.38Å; L716-W720 HydrophobicContact CD2-CH2 4Å; L716-W720 HydrophobicContact CD2-CZ2 4.31Å; L716-W720 HydrophobicContact CD2-CZ3 4.35Å; L716-W720 HydrophobicContact CG-CH2 4.42Å; L716-W720 HydrophobicContact CG-CZ3 4.36Å; L716-W720 PolarHBondContact O-N 2.93Å; A717-W720 CarbonylContact O-C 3.58Å; A717-W720 PolarHBondContact O-N 3.39Å; K718-W720 VanDerWaalsContact C-N 3.32Å; K718-W720 PolarHBondContact O-N 3.18Å; W720-F722 HydrophobicContact CB-CD2 3.97Å; W720-F722 HydrophobicContact CB-CE2 3.92Å; W720-F722 HydrophobicContact CE3-CE2 4.36Å; W720-F722 PolarHBondContact O-N 3.29Å; W720-L747 HydrophobicContact CZ3-CD2 4.38Å; W720-L748 HydrophobicContact CH2-CD2 3.47Å; W720-L748 VanDerWaalsContact CH2-CD2 3.47Å; W720-L748 HydrophobicContact CZ3-CD2 3.79Å; W720-W751 AromaticContact CD1-CD1 3.79Å; W720-W751 AromaticContact CD1-NE1 3.32Å; W720-W751 VanDerWaalsContact CD1-NE1 3.32Å; W720-W751 HydrophobicContact CD2-CB 4.49Å; W720-W751 AromaticContact CD2-CD1 3.38Å; W720-W751 HydrophobicContact CD2-CD2 4.03Å; W720-W751 AromaticContact CD2-CE2 3.92Å; W720-W751 AromaticContact CD2-CG 3.71Å; W720-W751 HydrophobicContact CD2-CG 3.71Å; W720-W751 AromaticContact CD2-NE1 3.52Å; W720-W751 AromaticContact CE2-CD1 3.81Å; W720-W751 AromaticContact CE2-CD2 3.83Å; W720-W751 AromaticContact CE2-CE2 3.47Å; W720-W751 VanDerWaalsContact CE2-CE2 3.47Å; W720-W751 AromaticContact CE2-CZ2 3.93Å; W720-W751 AromaticContact CE2-NE1 3.45Å; W720-W751 HydrophobicContact CE3-CB 4.01Å; W720-W751 AromaticContact CE3-CD1 3.78Å; W720-W751 HydrophobicContact CE3-CD2 4.16Å; W720-W751 AromaticContact CE3-CG 3.67Å; W720-W751 HydrophobicContact CE3-CG 3.67Å; W720-W751 AromaticContact CG-CD1 3.4Å; W720-W751 VanDerWaalsContact CG-CD1 3.4Å; W720-W751 HydrophobicContact CG-CG 4.2Å; W720-W751 AromaticContact CG-NE1 3.46Å; W720-W751 AromaticContact CH2-CD2 3.98Å; W720-W751 HydrophobicContact CH2-CD2 3.98Å; W720-W751 HydrophobicContact CH2-CE3 4.06Å; W720-W751 HydrophobicContact CH2-CG 4.32Å; W720-W751 HydrophobicContact CH2-CZ3 4.49Å; W720-W751 AromaticContact CZ2-CD2 3.82Å; W720-W751 HydrophobicContact CZ2-CD2 3.82Å; W720-W751 AromaticContact CZ2-CE2 3.73Å; W720-W751 HydrophobicContact CZ2-CE3 4.11Å; W720-W751 HydrophobicContact CZ2-CG 4.34Å; W720-W751 HydrophobicContact CZ2-CH2 4.21Å; W720-W751 AromaticContact CZ2-CZ2 3.95Å; W720-W751 HydrophobicContact CZ2-CZ2 3.95Å; W720-W751 HydrophobicContact CZ2-CZ3 4.28Å; W720-W751 HydrophobicContact CZ3-CB 4.21Å; W720-W751 HydrophobicContact CZ3-CD2 4.13Å; W720-W751 HydrophobicContact CZ3-CE3 4.47Å; W720-W751 AromaticContact CZ3-CG 3.99Å; W720-W751 HydrophobicContact CZ3-CG 3.99Å; W720-W751 AromaticContact NE1-CE2 3.56Å; W720-W751 AromaticContact NE1-CZ2 3.84Å; W720-W751 AromaticContact NE1-NE1 3.31Å; W720-L765 HydrophobicContact CH2-CD1 3.81Å; W720-L765 HydrophobicContact CZ2-CD1 4.01Å; W720-A768 HydrophobicContact CH2-CB 4.47Å; W720-A768 HydrophobicContact CZ2-CB 3.55Å
721	G	91.5	Very high	93.5	Very high	56 Å²	56	45.8 Å²	45.8	58%	0.577	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	27.3	173.6	0	0	0	0	0	115.2	A717 K718 F719	A717-G721 PolarHBondContact O-N 2.91Å; A717-G721 VanDerWaalsContact O-N 3.15Å; K718-G721 PolarHBondContact O-N 3.33Å; F719-G721 VanDerWaalsContact C-N 3.33Å
722	F	94.3	Very high	93.5	Very high	11 Å²	11	48.2 Å²	48.2	5%	0.048	26%	0.256	C	S	.	.			trans	-64.6	139.2	168.2	-75.4	-104.7	0	0	0	110	I386 A717 W720 D726 I727 L747 I750 W751	I386-F722 HydrophobicContact CG2-CD1 4.19Å; I386-F722 HydrophobicContact CG2-CE1 3.9Å; A717-F722 HydrophobicContact CB-CB 3.93Å; A717-F722 HydrophobicContact CB-CD2 4.25Å; A717-F722 HydrophobicContact CB-CG 4.17Å; A717-F722 WeakPolarHBondContact O-CB 3.44Å; A717-F722 WeakPolarHBondContact O-CD2 3.45Å; A717-F722 PolarHBondContact O-N 3.35Å; W720-F722 HydrophobicContact CB-CD2 3.97Å; W720-F722 HydrophobicContact CB-CE2 3.92Å; W720-F722 HydrophobicContact CE3-CE2 4.36Å; W720-F722 PolarHBondContact O-N 3.29Å; F722-D726 HydrophobicContact CB-CB 4.28Å; F722-D726 HydrophobicContact CD1-CB 3.95Å; F722-I727 HydrophobicContact CB-CG1 4.28Å; F722-L747 HydrophobicContact CD1-CD1 3.81Å; F722-L747 HydrophobicContact CD2-CD1 3.94Å; F722-L747 HydrophobicContact CE1-CD1 3.58Å; F722-L747 HydrophobicContact CE2-CD1 3.73Å; F722-L747 HydrophobicContact CG-CD1 3.97Å; F722-L747 HydrophobicContact CZ-CD1 3.54Å; F722-L747 HydrophobicContact CZ-CG 4.42Å; F722-I750 HydrophobicContact CE1-CB 4.35Å; F722-I750 HydrophobicContact CE1-CG2 3.68Å; F722-I750 HydrophobicContact CZ-CB 4.41Å; F722-I750 HydrophobicContact CZ-CG2 3.96Å; F722-W751 HydrophobicContact CE2-CB 4.12Å; F722-W751 HydrophobicContact CZ-CB 4.04Å
723	T	93.4	Very high	93.2	Very high	50 Å²	50	48 Å²	48	31%	0.307	26%	0.255	S	S	.	.			trans	-71.8	161.5	178.8	79.5	0	0	0	0	110.8	N725 D726 I727	T723-N725 PolarHBondContact O-N 2.99Å; T723-N725 PolarHBondContact OG1-N 3.24Å; T723-D726 PolarHBondContact N-OD2 3.26Å; T723-D726 PolarHBondContact O-N 3.04Å; T723-D726 PolarHBondContact OG1-N 2.95Å; T723-D726 PolarHBondContact OG1-OD1 3.26Å; T723-D726 PolarHBondContact OG1-OD2 3.33Å; T723-I727 WeakPolarHBondContact O-CG1 3.48Å; T723-I727 PolarHBondContact O-N 2.85Å; T723-I727 VanDerWaalsContact O-N 3.1Å
724	L	93.7	Very high	92.5	Very high	137 Å²	137	50.7 Å²	50.7	72%	0.717	27%	0.27	S	S	*	.	H	α-helix	trans	-61.1	-31.1	172.6	-68.4	176.9	0	0	0	111.8	A728	L724-A728 VanDerWaalsContact O-CB 3.25Å; L724-A728 WeakPolarHBondContact O-CB 3.44Å; L724-A728 PolarHBondContact O-N 3.44Å
725	N	93.1	Very high	91.7	Very high	89 Å²	89	55 Å²	55	48%	0.476	30%	0.295	S	S	.	.	H	α-helix	trans	-69.1	-40.5	176.5	-66.3	-17.3	0	0	0	111.1	T723 A728 A729	T723-N725 PolarHBondContact O-N 2.99Å; T723-N725 PolarHBondContact OG1-N 3.24Å; N725-A728 PolarHBondContact O-N 3.34Å; N725-A729 VanDerWaalsContact O-CB 3.29Å; N725-A729 WeakPolarHBondContact O-CB 3.18Å; N725-A729 PolarHBondContact O-N 3.33Å
726	D	94.8	Very high	91.1	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-62.1	-46.9	176.4	-50	-17.4	0	0	0	110.5	I386 F722 T723 A728 A729 I730	I386-D726 HydrophobicContact CD1-CB 4.06Å; I386-D726 HydrophobicContact CG1-CB 4.35Å; I386-D726 HydrophobicContact CG2-CB 4.36Å; F722-D726 HydrophobicContact CB-CB 4.28Å; F722-D726 HydrophobicContact CD1-CB 3.95Å; T723-D726 PolarHBondContact N-OD2 3.26Å; T723-D726 PolarHBondContact O-N 3.04Å; T723-D726 PolarHBondContact OG1-N 2.95Å; T723-D726 PolarHBondContact OG1-OD1 3.26Å; T723-D726 PolarHBondContact OG1-OD2 3.33Å; D726-A728 VanDerWaalsContact C-N 3.35Å; D726-A728 PolarHBondContact O-N 3.06Å; D726-A729 PolarHBondContact O-N 3.04Å; D726-I730 WeakPolarHBondContact O-CG1 3.4Å; D726-I730 PolarHBondContact O-N 3.42Å
727	I	94.8	Very high	90.6	Very high	12 Å²	12	64.3 Å²	64.3	6%	0.062	34%	0.341	C	S	.	.	H	α-helix	trans	-62.2	-45.5	178.8	-64.3	170.4	0	0	0	110	W713 K714 A717 K718 F722 T723 I730 E731	W713-I727 HydrophobicContact CH2-CG2 3.79Å; W713-I727 HydrophobicContact CZ3-CG2 4.02Å; K714-I727 HydrophobicContact CD-CG2 4.27Å; K714-I727 HydrophobicContact CG-CG2 4.15Å; A717-I727 HydrophobicContact CB-CD1 3.8Å; A717-I727 HydrophobicContact CB-CG1 3.75Å; K718-I727 HydrophobicContact CG-CD1 4.3Å; F722-I727 HydrophobicContact CB-CG1 4.28Å; T723-I727 WeakPolarHBondContact O-CG1 3.48Å; T723-I727 PolarHBondContact O-N 2.85Å; T723-I727 VanDerWaalsContact O-N 3.1Å; I727-I730 PolarHBondContact O-N 2.83Å; I727-E731 VanDerWaalsContact O-CB 3.26Å; I727-E731 WeakPolarHBondContact O-CB 3.41Å; I727-E731 PolarHBondContact O-N 2.89Å
728	A	93.7	Very high	90.3	Very high	53 Å²	53	69.1 Å²	69.1	44%	0.438	37%	0.367	S	S	.	.	H	α-helix	trans	-63.8	-40.2	178.1	0	0	0	0	0	111.9	L724 N725 D726 E731 Y732	L724-A728 VanDerWaalsContact O-CB 3.25Å; L724-A728 WeakPolarHBondContact O-CB 3.44Å; L724-A728 PolarHBondContact O-N 3.44Å; N725-A728 PolarHBondContact O-N 3.34Å; D726-A728 VanDerWaalsContact C-N 3.35Å; D726-A728 PolarHBondContact O-N 3.06Å; A728-E731 PolarHBondContact O-N 2.96Å; A728-Y732 VanDerWaalsContact O-CB 3.31Å; A728-Y732 WeakPolarHBondContact O-CB 3.16Å; A728-Y732 PolarHBondContact O-N 2.98Å
729	A	94.7	Very high	90.1	Very high	6 Å²	6	63.5 Å²	63.5	5%	0.05	35%	0.346	C	S	.	.	H	α-helix	trans	-64.9	-42.1	178.5	0	0	0	0	0	112.4	L370 A374 V382 N725 D726	L370-A729 HydrophobicContact CD1-CB 3.87Å; L370-A729 HydrophobicContact CD2-CB 4.17Å; L370-A729 HydrophobicContact CG-CB 3.87Å; A374-A729 HydrophobicContact CB-CB 3.94Å; V382-A729 HydrophobicContact CG1-CB 4.06Å; N725-A729 VanDerWaalsContact O-CB 3.29Å; N725-A729 WeakPolarHBondContact O-CB 3.18Å; N725-A729 PolarHBondContact O-N 3.33Å; D726-A729 PolarHBondContact O-N 3.04Å
730	I	93.7	Very high	90	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-67.5	-43.2	174.5	-64.4	167.9	0	0	0	110.7	V382 I386 W713 D726 I727 Y732 Q733 H743 L747 I750	V382-I730 HydrophobicContact CG1-CG1 4.39Å; I386-I730 HydrophobicContact CD1-CD1 4.09Å; I386-I730 HydrophobicContact CD1-CG1 3.98Å; W713-I730 HydrophobicContact CH2-CB 4.44Å; W713-I730 HydrophobicContact CH2-CG2 4.24Å; W713-I730 HydrophobicContact CZ3-CB 4.2Å; W713-I730 HydrophobicContact CZ3-CG2 3.92Å; D726-I730 WeakPolarHBondContact O-CG1 3.4Å; D726-I730 PolarHBondContact O-N 3.42Å; I727-I730 PolarHBondContact O-N 2.83Å; I730-Y732 VanDerWaalsContact C-N 3.31Å; I730-Y732 PolarHBondContact O-N 3.43Å; I730-Q733 PolarHBondContact O-N 3.04Å; I730-H743 HydrophobicContact CG2-CB 4.07Å; I730-H743 PolarHBondContact O-CD2 3.12Å; I730-H743 PolarHBondContact O-NE2 3.42Å; I730-L747 HydrophobicContact CD1-CD1 4.23Å; I730-I750 HydrophobicContact CD1-CD1 3.83Å; I730-I750 HydrophobicContact CG1-CD1 4.37Å
731	E	92.2	Very high	90.1	Very high	85 Å²	85	62.4 Å²	62.4	40%	0.397	34%	0.341	S	S	.	.	H	α-helix	trans	-66.7	-31	-179.7	-177.8	164.8	-150.4	0	0	113.3	W713 K714 I727 A728 Q733	W713-E731 HydrophobicContact CH2-CB 3.87Å; W713-E731 HydrophobicContact CZ2-CB 4.07Å; W713-E731 HydrophobicContact CZ2-CG 4.42Å; K714-E731 WeakPolarHBondContact CE-OE1 3.4Å; K714-E731 WeakPolarHBondContact CE-OE2 3.47Å; K714-E731 IonicContact NZ-OE1 2.61Å; K714-E731 PolarHBondContact NZ-OE1 3.22Å; K714-E731 IonicContact NZ-OE2 3.59Å; K714-E731 PolarHBondContact NZ-OE2 3.42Å; I727-E731 VanDerWaalsContact O-CB 3.26Å; I727-E731 WeakPolarHBondContact O-CB 3.41Å; I727-E731 PolarHBondContact O-N 2.89Å; A728-E731 PolarHBondContact O-N 2.96Å; E731-Q733 PolarHBondContact O-N 3.35Å
732	Y	89.8	Confident	90.1	Very high	126 Å²	126	63.1 Å²	63.1	49%	0.494	33%	0.329	S	S	.	.	H	α-helix	trans	-62.5	-27.2	179	-164.3	-86.5	0	0	0	112	A374 K375 A728 I730	A374-Y732 HydrophobicContact CB-CD1 4.49Å; A374-Y732 HydrophobicContact CB-CG 4.49Å; A374-Y732 WeakPolarHBondContact O-CD1 3.43Å; A374-Y732 WeakPolarHBondContact O-CE1 3.49Å; K375-Y732 VanDerWaalsContact CA-CE1 3.49Å; A728-Y732 VanDerWaalsContact O-CB 3.31Å; A728-Y732 WeakPolarHBondContact O-CB 3.16Å; A728-Y732 PolarHBondContact O-N 2.98Å; I730-Y732 VanDerWaalsContact C-N 3.31Å; I730-Y732 PolarHBondContact O-N 3.43Å
733	Q	83.5	Confident	90.1	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.328	C	S	.	.	S	Bend	trans	-95.4	157.7	179.5	-59	179.2	-28.1	0	0	109.9	A373 N377 Y378 T379 I730 E731 H743	A373-Q733 PolarHBondContact O-NE2 2.95Å; N377-Q733 WeakPolarHBondContact OD1-CB 3.42Å; N377-Q733 WeakPolarHBondContact OD1-CG 3.39Å; Y378-Q733 VanDerWaalsContact C-NE2 3.34Å; Y378-Q733 PolarHBondContact O-NE2 3.35Å; T379-Q733 HydrophobicContact CG2-CB 4.28Å; T379-Q733 HydrophobicContact CG2-CG 4.44Å; I730-Q733 PolarHBondContact O-N 3.04Å; E731-Q733 PolarHBondContact O-N 3.35Å; Q733-H743 PolarHBondContact O-NE2 3.12Å
734	D	80.1	Confident	90.1	Very high	62 Å²	62	60.4 Å²	60.4	33%	0.332	31%	0.313	S	S	.	.	S	Bend	trans	53.7	75.2	179.5	-55.3	-54	0	0	0	112.5	S739 E742 H743 R746	D734-S739 WeakPolarHBondContact O-CB 3.38Å; D734-E742 HydrophobicContact CB-CB 4.42Å; D734-H743 PolarHBondContact O-NE2 3.39Å; D734-R746 IonicContact OD2-NH1 3.61Å; D734-R746 PolarHBondContact OD2-NH1 3.39Å; D734-R746 VanDerWaalsContact OD2-NH1 3.16Å
735	I	77.1	Confident	90.1	Very high	158 Å²	158	54.9 Å²	54.9	81%	0.81	28%	0.283	S	S	*	.			trans	-92.5	126.3	-175.3	-54.4	168.9	0	0	0	110.3
736	G	84.2	Confident	90.1	Very high	44 Å²	44	51.5 Å²	51.5	45%	0.454	26%	0.263	S	S	.	.	S	Bend	trans	165	174.5	175.3	0	0	0	0	0	115	N738 S739	G736-N738 PolarHBondContact O-N 2.98Å; G736-S739 WeakPolarHBondContact O-CB 3.1Å; G736-S739 PolarHBondContact O-N 2.99Å; G736-S739 PolarHBondContact O-OG 3.14Å
737	K	83.7	Confident	90.1	Very high	202 Å²	202	51.1 Å²	51.1	88%	0.878	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-29	-178.8	-71.4	-175.6	-180	178.4	0	113.9	Y740	K737-Y740 WeakPolarHBondContact O-CD1 3.37Å; K737-Y740 WeakPolarHBondContact O-CE1 3.31Å
738	N	87.4	Confident	90	Very high	102 Å²	102	50.6 Å²	50.6	55%	0.545	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	8.3	-179.1	-72.7	-30.8	0	0	0	113.1	G736 Y740 K741	G736-N738 PolarHBondContact O-N 2.98Å; N738-Y740 PolarHBondContact O-N 3.1Å; N738-K741 HydrophobicContact CB-CD 4.35Å; N738-K741 WeakPolarHBondContact O-CB 3.42Å; N738-K741 WeakPolarHBondContact O-CG 3.31Å; N738-K741 PolarHBondContact O-N 3.2Å; N738-K741 VanDerWaalsContact O-N 3.11Å
739	S	89.8	Confident	89.9	Confident	26 Å²	26	48.7 Å²	48.7	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-59	-33.7	-178.5	55.4	0	0	0	0	113.7	D734 G736 K741 E742 H743	D734-S739 WeakPolarHBondContact O-CB 3.38Å; G736-S739 WeakPolarHBondContact O-CB 3.1Å; G736-S739 PolarHBondContact O-N 2.99Å; G736-S739 PolarHBondContact O-OG 3.14Å; S739-K741 PolarHBondContact O-N 2.67Å; S739-E742 WeakPolarHBondContact O-CA 3.29Å; S739-E742 PolarHBondContact O-N 3.36Å; S739-H743 PolarHBondContact O-N 2.93Å; S739-H743 PolarHBondContact OG-CE1 3.41Å
740	Y	92.8	Very high	89.7	Confident	35 Å²	35	48.4 Å²	48.4	14%	0.137	24%	0.239	C	C	.	.	H	α-helix	trans	-54.1	-24.2	178.3	73.4	-92	0	0	0	112.8	A708 P710 K737 N738 T744	A708-Y740 WeakPolarHBondContact O-CE2 3.25Å; P710-Y740 HydrophobicContact CB-CD1 4.13Å; P710-Y740 HydrophobicContact CB-CG 4.1Å; P710-Y740 HydrophobicContact CG-CD1 3.71Å; P710-Y740 HydrophobicContact CG-CD2 4.35Å; P710-Y740 HydrophobicContact CG-CE1 3.71Å; P710-Y740 HydrophobicContact CG-CE2 4.36Å; P710-Y740 HydrophobicContact CG-CG 4.04Å; K737-Y740 WeakPolarHBondContact O-CD1 3.37Å; K737-Y740 WeakPolarHBondContact O-CE1 3.31Å; N738-Y740 PolarHBondContact O-N 3.1Å; Y740-T744 WeakPolarHBondContact O-CB 3.47Å; Y740-T744 PolarHBondContact O-N 3.45Å; Y740-T744 PolarHBondContact O-OG1 3.3Å
741	K	93.8	Very high	89.6	Confident	49 Å²	49	48.9 Å²	48.9	21%	0.213	24%	0.241	C	C	.	.	H	α-helix	trans	-68.4	-48.3	174.6	-59.4	-178.8	178.3	-168.6	0	110.8	S704 H705 N738 S739 T744 Y745	S704-K741 WeakPolarHBondContact CB-O 3.42Å; S704-K741 WeakPolarHBondContact O-CG 3.14Å; H705-K741 PolarHBondContact O-NZ 3.31Å; N738-K741 HydrophobicContact CB-CD 4.35Å; N738-K741 WeakPolarHBondContact O-CB 3.42Å; N738-K741 WeakPolarHBondContact O-CG 3.31Å; N738-K741 PolarHBondContact O-N 3.2Å; N738-K741 VanDerWaalsContact O-N 3.11Å; S739-K741 PolarHBondContact O-N 2.67Å; K741-T744 PolarHBondContact O-N 3.2Å; K741-Y745 PolarHBondContact O-N 3.06Å
742	E	91.3	Very high	89.4	Confident	72 Å²	72	44.8 Å²	44.8	34%	0.336	22%	0.222	S	C	.	.	H	α-helix	trans	-65.7	-42.6	174.8	-62.1	-55.6	152	0	0	111.1	H705 D734 S739 T744 Y745 R746	H705-E742 IonicContact CE1-OE1 3.95Å; H705-E742 IonicContact NE2-OE1 3.21Å; H705-E742 PolarHBondContact NE2-OE1 3.44Å; D734-E742 HydrophobicContact CB-CB 4.42Å; S739-E742 WeakPolarHBondContact O-CA 3.29Å; S739-E742 PolarHBondContact O-N 3.36Å; E742-T744 VanDerWaalsContact C-N 3.29Å; E742-T744 PolarHBondContact O-N 3.29Å; E742-Y745 PolarHBondContact O-N 2.83Å; E742-Y745 VanDerWaalsContact O-N 3.13Å; E742-R746 WeakPolarHBondContact O-CB 3.37Å; E742-R746 WeakPolarHBondContact O-CG 3.35Å; E742-R746 PolarHBondContact O-N 3.44Å
743	H	94	Very high	89	Confident	4 Å²	4	38.9 Å²	38.9	2%	0.019	20%	0.199	C	C	.	.	H	α-helix	trans	-57.9	-42.2	174.2	-57	155.2	0	0	0	112	W713 I730 Q733 D734 S739 L747	W713-H743 HydrophobicContact CD2-CB 3.7Å; W713-H743 AromaticContact CE2-ND1 3.87Å; W713-H743 HydrophobicContact CE3-CB 3.94Å; W713-H743 HydrophobicContact CG-CB 4.14Å; W713-H743 HydrophobicContact CH2-CB 4.25Å; W713-H743 HydrophobicContact CZ2-CB 4.03Å; W713-H743 AromaticContact CZ2-ND1 3.69Å; W713-H743 HydrophobicContact CZ3-CB 4.21Å; I730-H743 HydrophobicContact CG2-CB 4.07Å; I730-H743 PolarHBondContact O-CD2 3.12Å; I730-H743 PolarHBondContact O-NE2 3.42Å; Q733-H743 PolarHBondContact O-NE2 3.12Å; D734-H743 PolarHBondContact O-NE2 3.39Å; S739-H743 PolarHBondContact O-N 2.93Å; S739-H743 PolarHBondContact OG-CE1 3.41Å; H743-L747 WeakPolarHBondContact O-CB 3.42Å; H743-L747 PolarHBondContact O-N 2.9Å
744	T	94.7	Very high	88.8	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63	-46.9	175.6	-53.6	0	0	0	0	110.7	Y703 S704 A708 W713 Y740 K741 E742 L747 L748	Y703-T744 HydrophobicContact CD1-CG2 3.94Å; Y703-T744 HydrophobicContact CE1-CG2 3.65Å; S704-T744 WeakPolarHBondContact OG-CG2 3.48Å; A708-T744 HydrophobicContact CB-CG2 4.03Å; W713-T744 HydrophobicContact CB-CG2 4.43Å; W713-T744 WeakPolarHBondContact CB-OG1 3.26Å; Y740-T744 WeakPolarHBondContact O-CB 3.47Å; Y740-T744 PolarHBondContact O-N 3.45Å; Y740-T744 PolarHBondContact O-OG1 3.3Å; K741-T744 PolarHBondContact O-N 3.2Å; E742-T744 VanDerWaalsContact C-N 3.29Å; E742-T744 PolarHBondContact O-N 3.29Å; T744-L747 PolarHBondContact O-N 3.49Å; T744-L748 HydrophobicContact CG2-CD1 3.94Å; T744-L748 HydrophobicContact CG2-CG 4.49Å; T744-L748 WeakPolarHBondContact O-CD1 3.49Å; T744-L748 WeakPolarHBondContact O-CG 3.19Å; T744-L748 PolarHBondContact O-N 3.13Å
745	Y	93.1	Very high	88.8	Confident	21 Å²	21	36.3 Å²	36.3	8%	0.082	19%	0.186	C	C	.	.	H	α-helix	trans	-63.1	-48.7	-177.7	177.1	-116.9	0	0	0	111.7	F700 F701 S704 K741 E742 L748 N749	F700-Y745 HydrophobicContact CB-CD2 3.95Å; F700-Y745 HydrophobicContact CB-CE2 4.13Å; F701-Y745 HydrophobicContact CB-CD2 4.05Å; F701-Y745 HydrophobicContact CB-CE2 3.76Å; F701-Y745 HydrophobicContact CD2-CD2 4.41Å; F701-Y745 HydrophobicContact CD2-CE2 4.3Å; S704-Y745 VanDerWaalsContact OG-CA 3.28Å; S704-Y745 WeakPolarHBondContact OG-CA 3.21Å; S704-Y745 PolarHBondContact OG-N 2.82Å; S704-Y745 VanDerWaalsContact OG-N 3.16Å; K741-Y745 PolarHBondContact O-N 3.06Å; E742-Y745 PolarHBondContact O-N 2.83Å; E742-Y745 VanDerWaalsContact O-N 3.13Å; Y745-L748 PolarHBondContact O-N 2.8Å; Y745-N749 WeakPolarHBondContact CE1-ND2 3.42Å; Y745-N749 WeakPolarHBondContact CE2-ND2 3.16Å; Y745-N749 PolarHBondContact O-N 2.65Å; Y745-N749 VanDerWaalsContact O-N 3.12Å; Y745-N749 PolarHBondContact O-ND2 3.43Å
746	R	92.5	Very high	88.6	Confident	17 Å²	17	31 Å²	31	6%	0.064	16%	0.16	C	C	.	.	H	α-helix	trans	-62.1	-46.4	177.5	-69.7	178.1	59.1	-159.1	-6.7	111.9	D383 D734 E742 L748 N749 I750	D383-R746 IonicContact OD1-CZ 2.74Å; D383-R746 IonicContact OD1-NE 3.03Å; D383-R746 PolarHBondContact OD1-NE 2.61Å; D383-R746 IonicContact OD1-NH2 2.88Å; D383-R746 PolarHBondContact OD1-NH2 2.67Å; D383-R746 IonicContact OD2-NE 3.78Å; D734-R746 IonicContact OD2-NH1 3.61Å; D734-R746 PolarHBondContact OD2-NH1 3.39Å; D734-R746 VanDerWaalsContact OD2-NH1 3.16Å; E742-R746 WeakPolarHBondContact O-CB 3.37Å; E742-R746 WeakPolarHBondContact O-CG 3.35Å; E742-R746 PolarHBondContact O-N 3.44Å; R746-L748 VanDerWaalsContact C-N 3.29Å; R746-L748 PolarHBondContact O-N 3Å; R746-N749 PolarHBondContact O-N 3.47Å; R746-N749 VanDerWaalsContact O-N 3.16Å; R746-I750 WeakPolarHBondContact O-CG1 3.46Å; R746-I750 PolarHBondContact O-N 3.09Å
747	L	94.7	Very high	87.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-55	-45	176	179.4	75.9	0	0	0	111.7	W713 L716 A717 W720 F722 I730 H743 T744 I750 W751	W713-L747 HydrophobicContact CB-CD2 4.28Å; W713-L747 HydrophobicContact CE3-CD2 4.37Å; W713-L747 WeakPolarHBondContact O-CD2 3.48Å; L716-L747 HydrophobicContact CB-CD2 4.01Å; A717-L747 HydrophobicContact CB-CD1 3.72Å; A717-L747 HydrophobicContact CB-CD2 3.87Å; A717-L747 HydrophobicContact CB-CG 4.46Å; W720-L747 HydrophobicContact CZ3-CD2 4.38Å; F722-L747 HydrophobicContact CD1-CD1 3.81Å; F722-L747 HydrophobicContact CD2-CD1 3.94Å; F722-L747 HydrophobicContact CE1-CD1 3.58Å; F722-L747 HydrophobicContact CE2-CD1 3.73Å; F722-L747 HydrophobicContact CG-CD1 3.97Å; F722-L747 HydrophobicContact CZ-CD1 3.54Å; F722-L747 HydrophobicContact CZ-CG 4.42Å; I730-L747 HydrophobicContact CD1-CD1 4.23Å; H743-L747 WeakPolarHBondContact O-CB 3.42Å; H743-L747 PolarHBondContact O-N 2.9Å; T744-L747 PolarHBondContact O-N 3.49Å; L747-I750 PolarHBondContact O-N 3.09Å; L747-W751 VanDerWaalsContact O-CB 3.25Å; L747-W751 WeakPolarHBondContact O-CB 3.4Å; L747-W751 PolarHBondContact O-N 2.81Å
748	L	93.4	Very high	87.6	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.2	-41.2	179.7	-70.9	167.5	0	0	0	112	F700 Y703 W720 T744 Y745 R746 W751 L752 L765	F700-L748 HydrophobicContact CB-CB 3.98Å; F700-L748 HydrophobicContact CB-CD1 3.84Å; F700-L748 HydrophobicContact CD1-CB 3.75Å; F700-L748 HydrophobicContact CD1-CD1 3.72Å; F700-L748 HydrophobicContact CD1-CD2 4.07Å; F700-L748 HydrophobicContact CD1-CG 4.06Å; F700-L748 HydrophobicContact CD2-CB 3.7Å; F700-L748 HydrophobicContact CE1-CB 3.99Å; F700-L748 HydrophobicContact CE1-CD1 4.45Å; F700-L748 HydrophobicContact CE1-CD2 3.97Å; F700-L748 HydrophobicContact CE1-CG 4.37Å; F700-L748 HydrophobicContact CE2-CB 3.97Å; F700-L748 WeakPolarHBondContact CE2-O 3.38Å; F700-L748 HydrophobicContact CG-CB 3.56Å; F700-L748 HydrophobicContact CG-CD1 3.94Å; F700-L748 HydrophobicContact CG-CG 4.27Å; F700-L748 HydrophobicContact CZ-CB 4.1Å; Y703-L748 HydrophobicContact CD1-CD1 3.74Å; Y703-L748 HydrophobicContact CE1-CD1 4.32Å; W720-L748 HydrophobicContact CH2-CD2 3.47Å; W720-L748 VanDerWaalsContact CH2-CD2 3.47Å; W720-L748 HydrophobicContact CZ3-CD2 3.79Å; T744-L748 HydrophobicContact CG2-CD1 3.94Å; T744-L748 HydrophobicContact CG2-CG 4.49Å; T744-L748 WeakPolarHBondContact O-CD1 3.49Å; T744-L748 WeakPolarHBondContact O-CG 3.19Å; T744-L748 PolarHBondContact O-N 3.13Å; Y745-L748 PolarHBondContact O-N 2.8Å; R746-L748 VanDerWaalsContact C-N 3.29Å; R746-L748 PolarHBondContact O-N 3Å; L748-W751 HydrophobicContact CD2-CE3 4.49Å; L748-W751 PolarHBondContact O-N 2.89Å; L748-L752 WeakPolarHBondContact O-CB 3.28Å; L748-L752 PolarHBondContact O-N 3.44Å; L748-L765 HydrophobicContact CD2-CD1 3.7Å
749	N	90.7	Very high	87.1	Confident	13 Å²	13	29.2 Å²	29.2	7%	0.07	15%	0.147	C	C	.	.	H	α-helix	trans	-66.9	-39.3	176.4	-70.2	-29.8	0	0	0	112.6	N697 F700 Y745 R746	N697-N749 PolarHBondContact OD1-OD1 2.9Å; F700-N749 WeakPolarHBondContact CD2-OD1 3.2Å; Y745-N749 WeakPolarHBondContact CE1-ND2 3.42Å; Y745-N749 WeakPolarHBondContact CE2-ND2 3.16Å; Y745-N749 PolarHBondContact O-N 2.65Å; Y745-N749 VanDerWaalsContact O-N 3.12Å; Y745-N749 PolarHBondContact O-ND2 3.43Å; R746-N749 PolarHBondContact O-N 3.47Å; R746-N749 VanDerWaalsContact O-N 3.16Å
750	I	91.8	Very high	86.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.9	-44.7	174.1	-65	164.4	0	0	0	110.2	D383 I386 R387 F722 I730 R746 L747 L752 H753	D383-I750 HydrophobicContact CB-CD1 4.26Å; D383-I750 HydrophobicContact CB-CG1 4.14Å; I386-I750 HydrophobicContact CB-CG2 4.08Å; I386-I750 HydrophobicContact CD1-CD1 4.33Å; I386-I750 HydrophobicContact CG2-CG2 3.54Å; R387-I750 HydrophobicContact CG-CB 4.41Å; R387-I750 HydrophobicContact CG-CG1 4.47Å; R387-I750 HydrophobicContact CG-CG2 4.02Å; F722-I750 HydrophobicContact CE1-CB 4.35Å; F722-I750 HydrophobicContact CE1-CG2 3.68Å; F722-I750 HydrophobicContact CZ-CB 4.41Å; F722-I750 HydrophobicContact CZ-CG2 3.96Å; I730-I750 HydrophobicContact CD1-CD1 3.83Å; I730-I750 HydrophobicContact CG1-CD1 4.37Å; R746-I750 WeakPolarHBondContact O-CG1 3.46Å; R746-I750 PolarHBondContact O-N 3.09Å; L747-I750 PolarHBondContact O-N 3.09Å; I750-L752 VanDerWaalsContact C-N 3.34Å; I750-L752 PolarHBondContact O-N 3.3Å; I750-H753 WeakPolarHBondContact O-CB 3.44Å; I750-H753 PolarHBondContact O-N 3.23Å
751	W	91.3	Very high	86.5	Confident	10 Å²	10	29 Å²	29	4%	0.038	15%	0.151	C	C	.	.	H	α-helix	trans	-59.9	-44.1	179	166.6	70.2	0	0	0	111.9	F700 W720 F722 L747 L748 H753 G754 V755 P761 E764 L765	F700-W751 HydrophobicContact CE1-CZ3 4.17Å; F700-W751 HydrophobicContact CZ-CE3 4.01Å; F700-W751 AromaticContact CZ-CZ3 3.83Å; F700-W751 HydrophobicContact CZ-CZ3 3.83Å; W720-W751 AromaticContact CD1-CD1 3.79Å; W720-W751 AromaticContact CD1-NE1 3.32Å; W720-W751 VanDerWaalsContact CD1-NE1 3.32Å; W720-W751 HydrophobicContact CD2-CB 4.49Å; W720-W751 AromaticContact CD2-CD1 3.38Å; W720-W751 HydrophobicContact CD2-CD2 4.03Å; W720-W751 AromaticContact CD2-CE2 3.92Å; W720-W751 AromaticContact CD2-CG 3.71Å; W720-W751 HydrophobicContact CD2-CG 3.71Å; W720-W751 AromaticContact CD2-NE1 3.52Å; W720-W751 AromaticContact CE2-CD1 3.81Å; W720-W751 AromaticContact CE2-CD2 3.83Å; W720-W751 AromaticContact CE2-CE2 3.47Å; W720-W751 VanDerWaalsContact CE2-CE2 3.47Å; W720-W751 AromaticContact CE2-CZ2 3.93Å; W720-W751 AromaticContact CE2-NE1 3.45Å; W720-W751 HydrophobicContact CE3-CB 4.01Å; W720-W751 AromaticContact CE3-CD1 3.78Å; W720-W751 HydrophobicContact CE3-CD2 4.16Å; W720-W751 AromaticContact CE3-CG 3.67Å; W720-W751 HydrophobicContact CE3-CG 3.67Å; W720-W751 AromaticContact CG-CD1 3.4Å; W720-W751 VanDerWaalsContact CG-CD1 3.4Å; W720-W751 HydrophobicContact CG-CG 4.2Å; W720-W751 AromaticContact CG-NE1 3.46Å; W720-W751 AromaticContact CH2-CD2 3.98Å; W720-W751 HydrophobicContact CH2-CD2 3.98Å; W720-W751 HydrophobicContact CH2-CE3 4.06Å; W720-W751 HydrophobicContact CH2-CG 4.32Å; W720-W751 HydrophobicContact CH2-CZ3 4.49Å; W720-W751 AromaticContact CZ2-CD2 3.82Å; W720-W751 HydrophobicContact CZ2-CD2 3.82Å; W720-W751 AromaticContact CZ2-CE2 3.73Å; W720-W751 HydrophobicContact CZ2-CE3 4.11Å; W720-W751 HydrophobicContact CZ2-CG 4.34Å; W720-W751 HydrophobicContact CZ2-CH2 4.21Å; W720-W751 AromaticContact CZ2-CZ2 3.95Å; W720-W751 HydrophobicContact CZ2-CZ2 3.95Å; W720-W751 HydrophobicContact CZ2-CZ3 4.28Å; W720-W751 HydrophobicContact CZ3-CB 4.21Å; W720-W751 HydrophobicContact CZ3-CD2 4.13Å; W720-W751 HydrophobicContact CZ3-CE3 4.47Å; W720-W751 AromaticContact CZ3-CG 3.99Å; W720-W751 HydrophobicContact CZ3-CG 3.99Å; W720-W751 AromaticContact NE1-CE2 3.56Å; W720-W751 AromaticContact NE1-CZ2 3.84Å; W720-W751 AromaticContact NE1-NE1 3.31Å; F722-W751 HydrophobicContact CE2-CB 4.12Å; F722-W751 HydrophobicContact CZ-CB 4.04Å; L747-W751 VanDerWaalsContact O-CB 3.25Å; L747-W751 WeakPolarHBondContact O-CB 3.4Å; L747-W751 PolarHBondContact O-N 2.81Å; L748-W751 HydrophobicContact CD2-CE3 4.49Å; L748-W751 PolarHBondContact O-N 2.89Å; W751-H753 PolarHBondContact O-N 3.38Å; W751-G754 PolarHBondContact O-N 2.74Å; W751-V755 HydrophobicContact CD2-CG2 4.14Å; W751-V755 HydrophobicContact CE3-CG2 4.48Å; W751-V755 HydrophobicContact CH2-CG2 4.02Å; W751-V755 HydrophobicContact CZ2-CG2 3.6Å; W751-V755 HydrophobicContact CZ3-CG2 4.44Å; W751-P761 HydrophobicContact CH2-CB 4.28Å; W751-P761 VanDerWaalsContact CH2-O 3.31Å; W751-P761 WeakPolarHBondContact CH2-O 3.26Å; W751-E764 HydrophobicContact CH2-CB 4.01Å; W751-E764 HydrophobicContact CZ2-CB 3.65Å; W751-L765 HydrophobicContact CH2-CB 4.19Å; W751-L765 HydrophobicContact CZ3-CB 4.38Å
752	L	88.6	Confident	86.1	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-54.8	-36.1	-179.5	-172.7	65	0	0	0	112.7	P688 Y692 A693 M696 F700 L748 I750 G754 V755 P761	P688-L752 HydrophobicContact CB-CD2 4.05Å; P688-L752 HydrophobicContact CB-CG 4.42Å; P688-L752 HydrophobicContact CG-CD2 4.23Å; Y692-L752 HydrophobicContact CD2-CD1 4.29Å; Y692-L752 HydrophobicContact CE2-CD1 3.73Å; Y692-L752 HydrophobicContact CE2-CG 4.31Å; A693-L752 HydrophobicContact CB-CD2 4.27Å; M696-L752 HydrophobicContact CB-CD1 4.48Å; M696-L752 HydrophobicContact CB-CD2 3.85Å; M696-L752 HydrophobicContact CE-CD1 4.35Å; M696-L752 HydrophobicContact CG-CD1 4.3Å; M696-L752 HydrophobicContact CG-CD2 4.41Å; F700-L752 HydrophobicContact CE2-CB 3.93Å; F700-L752 HydrophobicContact CE2-CD1 4.39Å; F700-L752 HydrophobicContact CE2-CD2 3.86Å; F700-L752 HydrophobicContact CE2-CG 4.28Å; F700-L752 HydrophobicContact CZ-CB 4.26Å; F700-L752 HydrophobicContact CZ-CD1 4.21Å; F700-L752 HydrophobicContact CZ-CD2 4.46Å; L748-L752 WeakPolarHBondContact O-CB 3.28Å; L748-L752 PolarHBondContact O-N 3.44Å; I750-L752 VanDerWaalsContact C-N 3.34Å; I750-L752 PolarHBondContact O-N 3.3Å; L752-G754 PolarHBondContact O-N 3.04Å; L752-V755 PolarHBondContact O-N 3.11Å; L752-P761 HydrophobicContact CD1-CB 3.71Å; L752-P761 HydrophobicContact CD1-CG 3.97Å
753	H	80.4	Confident	85.8	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.009	15%	0.148	C	C	.	.	H	α-helix	trans	-62.8	-31.7	179.2	-159.6	-83.6	0	0	0	112.8	R387 F683 T684 F685 I750 W751	R387-H753 HydrophobicContact CB-CB 4.43Å; R387-H753 HydrophobicContact CG-CB 3.85Å; F683-H753 AromaticContact CE2-CE1 3.4Å; F683-H753 WeakPolarHBondContact CE2-CE1 3.31Å; F683-H753 AromaticContact CE2-NE2 3.92Å; F683-H753 AromaticContact CZ-CE1 3.44Å; F683-H753 VanDerWaalsContact CZ-CE1 3.44Å; F683-H753 WeakPolarHBondContact CZ-CE1 3.48Å; T684-H753 PolarHBondContact O-NE2 2.88Å; F685-H753 AromaticContact CD1-CE1 3.75Å; I750-H753 WeakPolarHBondContact O-CB 3.44Å; I750-H753 PolarHBondContact O-N 3.23Å; W751-H753 PolarHBondContact O-N 3.38Å
754	G	78.5	Confident	85.6	Confident	7 Å²	7	29.9 Å²	29.9	7%	0.072	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	6.1	-179.5	0	0	0	0	0	115.2	W751 L752	W751-G754 PolarHBondContact O-N 2.74Å; L752-G754 PolarHBondContact O-N 3.04Å
755	V	80.8	Confident	85.3	Confident	1 Å²	1	30 Å²	30	1%	0.006	16%	0.159	C	C	.	.			trans	-74.3	134.8	177.4	179.7	0	0	0	0	109.5	Y395 W751 L752 Q759 P761	Y395-V755 PolarHBondContact OH-O 3.49Å; W751-V755 HydrophobicContact CD2-CG2 4.14Å; W751-V755 HydrophobicContact CE3-CG2 4.48Å; W751-V755 HydrophobicContact CH2-CG2 4.02Å; W751-V755 HydrophobicContact CZ2-CG2 3.6Å; W751-V755 HydrophobicContact CZ3-CG2 4.44Å; L752-V755 PolarHBondContact O-N 3.11Å; V755-Q759 HydrophobicContact CG1-CB 3.69Å; V755-P761 HydrophobicContact CG1-CB 4.46Å; V755-P761 HydrophobicContact CG1-CG 4.05Å
756	N	72.9	Confident	85	Confident	47 Å²	47	29.2 Å²	29.2	25%	0.251	16%	0.157	S	C	.	.			trans	-70.2	148.8	178.9	-69.8	-33.4	0	0	0	112	T394 Y395 N758 Q759	T394-N756 WeakPolarHBondContact CG2-OD1 3.34Å; Y395-N756 VanDerWaalsContact OH-CA 3.32Å; Y395-N756 WeakPolarHBondContact OH-CA 3.31Å; N756-N758 WeakPolarHBondContact CB-OD1 3.5Å; N756-N758 PolarHBondContact O-N 3.3Å; N756-Q759 HydrophobicContact CB-CB 4.42Å; N756-Q759 HydrophobicContact CB-CG 4.21Å; N756-Q759 WeakPolarHBondContact O-CB 3.43Å; N756-Q759 PolarHBondContact O-N 2.98Å
757	D	70.6	Confident	84.9	Confident	141 Å²	141	32.7 Å²	32.7	75%	0.754	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.8	175.4	-67.2	-28.8	0	0	0	113.4
758	N	75.9	Confident	84.7	Confident	102 Å²	102	32.7 Å²	32.7	55%	0.545	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-7.3	177.6	63.6	19.3	0	0	0	114	R656 N756	R656-N758 PolarHBondContact NH2-ND2 3.36Å; N756-N758 WeakPolarHBondContact CB-OD1 3.5Å; N756-N758 PolarHBondContact O-N 3.3Å
759	Q	78	Confident	84.6	Confident	66 Å²	66	32.7 Å²	32.7	31%	0.308	18%	0.176	S	C	.	.	S	Bend	trans	-100.9	136.3	-179.8	-77.5	172.7	-36.4	0	0	109.6	V755 N756 P761 E764	V755-Q759 HydrophobicContact CG1-CB 3.69Å; N756-Q759 HydrophobicContact CB-CB 4.42Å; N756-Q759 HydrophobicContact CB-CG 4.21Å; N756-Q759 WeakPolarHBondContact O-CB 3.43Å; N756-Q759 PolarHBondContact O-N 2.98Å; Q759-P761 VanDerWaalsContact O-CD 3.29Å; Q759-P761 WeakPolarHBondContact O-CD 3.44Å; Q759-E764 HydrophobicContact CB-CG 4.05Å; Q759-E764 HydrophobicContact CG-CG 4.24Å
760	S	84.9	Confident	84.6	Confident	46 Å²	46	34.9 Å²	34.9	32%	0.322	19%	0.19	S	C	.	.			trans	-81.7	115.2	166.5	170.2	0	0	0	0	108.4	L762 N763 E764	S760-L762 PolarHBondContact O-N 3.4Å; S760-L762 VanDerWaalsContact O-N 3.16Å; S760-N763 PolarHBondContact O-N 3.47Å; S760-N763 PolarHBondContact OG-N 2.81Å; S760-E764 PolarHBondContact O-N 3.23Å
761	P	84.9	Confident	84.5	Confident	11 Å²	11	38.5 Å²	38.5	7%	0.071	21%	0.212	C	C	.	.	H	α-helix	trans	-56.4	-35.7	179.4	-21.6	30	0	0	0	111.8	Y692 M696 W751 L752 V755 Q759 N763 L765	Y692-P761 HydrophobicContact CD2-CG 4.09Å; Y692-P761 HydrophobicContact CE1-CG 4.27Å; Y692-P761 HydrophobicContact CE2-CB 4.49Å; Y692-P761 HydrophobicContact CE2-CG 3.49Å; Y692-P761 VanDerWaalsContact CE2-CG 3.49Å; M696-P761 HydrophobicContact CE-CB 3.73Å; M696-P761 HydrophobicContact SD-CB 4.37Å; W751-P761 HydrophobicContact CH2-CB 4.28Å; W751-P761 VanDerWaalsContact CH2-O 3.31Å; W751-P761 WeakPolarHBondContact CH2-O 3.26Å; L752-P761 HydrophobicContact CD1-CB 3.71Å; L752-P761 HydrophobicContact CD1-CG 3.97Å; V755-P761 HydrophobicContact CG1-CB 4.46Å; V755-P761 HydrophobicContact CG1-CG 4.05Å; Q759-P761 VanDerWaalsContact O-CD 3.29Å; Q759-P761 WeakPolarHBondContact O-CD 3.44Å; P761-N763 PolarHBondContact O-N 2.91Å; P761-L765 VanDerWaalsContact O-CB 3.3Å; P761-L765 WeakPolarHBondContact O-CB 3.49Å; P761-L765 PolarHBondContact O-N 2.97Å
762	L	84.8	Confident	84.5	Confident	15 Å²	15	39.8 Å²	39.8	8%	0.079	22%	0.219	C	C	.	.	H	α-helix	trans	-66.8	-40	178.5	-176.4	61.3	0	0	0	112.3	L699 S760 C766 I785 L800	L699-L762 HydrophobicContact CD2-CD1 4.09Å; S760-L762 PolarHBondContact O-N 3.4Å; S760-L762 VanDerWaalsContact O-N 3.16Å; L762-C766 WeakPolarHBondContact O-CB 3.41Å; L762-C766 PolarHBondContact O-N 3.26Å; L762-C766 PolarHBondContact O-SG 3.36Å; L762-I785 HydrophobicContact CD1-CD1 3.44Å; L762-I785 VanDerWaalsContact CD1-CD1 3.44Å; L762-I785 HydrophobicContact CD2-CD1 4.01Å; L762-I785 HydrophobicContact CD2-CG2 4.48Å; L762-I785 HydrophobicContact CG-CD1 4.37Å; L762-L800 HydrophobicContact CB-CD2 4.25Å; L762-L800 HydrophobicContact CD2-CD2 3.94Å
763	N	85.8	Confident	84.6	Confident	79 Å²	79	42.9 Å²	42.9	42%	0.422	25%	0.251	S	S	.	.	H	α-helix	trans	-69.1	-42.7	178.2	-71.9	-17.3	0	0	0	111.5	S760 P761 L765 C766 L767	S760-N763 PolarHBondContact O-N 3.47Å; S760-N763 PolarHBondContact OG-N 2.81Å; P761-N763 PolarHBondContact O-N 2.91Å; N763-L765 VanDerWaalsContact C-N 3.34Å; N763-L765 PolarHBondContact O-N 3.5Å; N763-C766 WeakPolarHBondContact O-CB 3.3Å; N763-C766 PolarHBondContact O-N 2.95Å; N763-C766 VanDerWaalsContact O-N 3.15Å; N763-L767 PolarHBondContact O-N 2.87Å
764	E	88.7	Confident	85	Confident	50 Å²	50	44 Å²	44	23%	0.234	26%	0.256	C	S	.	.	H	α-helix	trans	-62.9	-40.8	175.9	-68.5	-56.8	142.2	0	0	111.8	W751 Q759 S760 C766 L767 A768	W751-E764 HydrophobicContact CH2-CB 4.01Å; W751-E764 HydrophobicContact CZ2-CB 3.65Å; Q759-E764 HydrophobicContact CB-CG 4.05Å; Q759-E764 HydrophobicContact CG-CG 4.24Å; S760-E764 PolarHBondContact O-N 3.23Å; E764-C766 VanDerWaalsContact C-N 3.35Å; E764-C766 PolarHBondContact O-N 3.46Å; E764-L767 PolarHBondContact O-N 2.95Å; E764-A768 WeakPolarHBondContact O-CB 3.32Å; E764-A768 PolarHBondContact O-N 3.36Å
765	L	89.5	Confident	85.3	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-62.2	-42.8	172.5	-177.5	67.4	0	0	0	111.3	L699 F700 W720 L748 W751 P761 N763 L767 A768 L769 L781	L699-L765 HydrophobicContact CD2-CD2 3.93Å; F700-L765 HydrophobicContact CD1-CD2 4.42Å; F700-L765 HydrophobicContact CE1-CD2 4.06Å; W720-L765 HydrophobicContact CH2-CD1 3.81Å; W720-L765 HydrophobicContact CZ2-CD1 4.01Å; L748-L765 HydrophobicContact CD2-CD1 3.7Å; W751-L765 HydrophobicContact CH2-CB 4.19Å; W751-L765 HydrophobicContact CZ3-CB 4.38Å; P761-L765 VanDerWaalsContact O-CB 3.3Å; P761-L765 WeakPolarHBondContact O-CB 3.49Å; P761-L765 PolarHBondContact O-N 2.97Å; N763-L765 VanDerWaalsContact C-N 3.34Å; N763-L765 PolarHBondContact O-N 3.5Å; L765-L767 VanDerWaalsContact C-N 3.33Å; L765-L767 PolarHBondContact O-N 3.07Å; L765-A768 PolarHBondContact O-N 3.22Å; L765-L769 HydrophobicContact CD1-CD1 4.42Å; L765-L769 HydrophobicContact CD1-CG 4.36Å; L765-L769 HydrophobicContact CG-CD1 4.12Å; L765-L769 HydrophobicContact CG-CG 4.43Å; L765-L769 WeakPolarHBondContact O-CB 3.45Å; L765-L769 VanDerWaalsContact O-CG 3.26Å; L765-L769 WeakPolarHBondContact O-CG 3.28Å; L765-L769 PolarHBondContact O-N 3.38Å; L765-L781 HydrophobicContact CD2-CD2 4.22Å
766	C	87	Confident	85.5	Confident	6 Å²	6	59.3 Å²	59.3	4%	0.041	31%	0.314	C	S	.	.	H	α-helix	trans	-62.4	-41.4	177.3	-72.4	0	0	0	0	112	L762 N763 E764 T770 M778 R782	L762-C766 WeakPolarHBondContact O-CB 3.41Å; L762-C766 PolarHBondContact O-N 3.26Å; L762-C766 PolarHBondContact O-SG 3.36Å; N763-C766 WeakPolarHBondContact O-CB 3.3Å; N763-C766 PolarHBondContact O-N 2.95Å; N763-C766 VanDerWaalsContact O-N 3.15Å; E764-C766 VanDerWaalsContact C-N 3.35Å; E764-C766 PolarHBondContact O-N 3.46Å; C766-T770 WeakPolarHBondContact O-CB 3.41Å; C766-T770 PolarHBondContact O-N 2.95Å; C766-T770 PolarHBondContact O-OG1 2.84Å; C766-M778 HydrophobicContact CB-CG 4.03Å; C766-R782 PolarHBondContact SG-NE 2.95Å
767	L	88.9	Confident	86.1	Confident	89 Å²	89	58 Å²	58	47%	0.466	31%	0.308	S	S	.	.	H	α-helix	trans	-62.2	-52	176.5	-179	62.7	0	0	0	110	F719 N763 E764 L765 L769 T770 T771	F719-L767 HydrophobicContact CZ-CD2 4.41Å; F719-L767 HydrophobicContact CZ-CG 4.21Å; N763-L767 PolarHBondContact O-N 2.87Å; E764-L767 PolarHBondContact O-N 2.95Å; L765-L767 VanDerWaalsContact C-N 3.33Å; L765-L767 PolarHBondContact O-N 3.07Å; L767-L769 VanDerWaalsContact C-N 3.35Å; L767-L769 PolarHBondContact O-N 3.32Å; L767-T770 PolarHBondContact O-N 3.25Å; L767-T771 HydrophobicContact CD1-CG2 4.37Å; L767-T771 WeakPolarHBondContact O-CG2 3.49Å; L767-T771 PolarHBondContact O-N 3.13Å; L767-T771 PolarHBondContact O-OG1 2.97Å
768	A	91.5	Very high	86.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-56.6	-45.3	178.1	0	0	0	0	0	112.5	L716 F719 W720 E764 L765 T770 T771 I772	L716-A768 HydrophobicContact CD2-CB 3.77Å; F719-A768 HydrophobicContact CD1-CB 3.44Å; F719-A768 VanDerWaalsContact CD1-CB 3.44Å; F719-A768 HydrophobicContact CE1-CB 3.46Å; F719-A768 VanDerWaalsContact CE1-CB 3.46Å; F719-A768 HydrophobicContact CG-CB 4.33Å; F719-A768 HydrophobicContact CZ-CB 4.36Å; W720-A768 HydrophobicContact CH2-CB 4.47Å; W720-A768 HydrophobicContact CZ2-CB 3.55Å; E764-A768 WeakPolarHBondContact O-CB 3.32Å; E764-A768 PolarHBondContact O-N 3.36Å; L765-A768 PolarHBondContact O-N 3.22Å; A768-T770 VanDerWaalsContact C-N 3.31Å; A768-T770 PolarHBondContact O-N 3.34Å; A768-T771 WeakPolarHBondContact CA-OG1 3.42Å; A768-T771 PolarHBondContact O-N 3.35Å; A768-T771 PolarHBondContact O-OG1 3.15Å; A768-I772 WeakPolarHBondContact O-CG1 3.45Å; A768-I772 PolarHBondContact O-N 3.49Å
769	L	91.2	Very high	87	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-64.4	-36.6	176.7	-69.3	177	0	0	0	112	Y703 L716 L765 L767 I772 R774 M778 L781	Y703-L769 HydrophobicContact CE1-CD2 4.34Å; Y703-L769 HydrophobicContact CE2-CD1 4.07Å; Y703-L769 HydrophobicContact CE2-CD2 3.71Å; Y703-L769 VanDerWaalsContact CZ-CD2 3.47Å; Y703-L769 WeakPolarHBondContact OH-CD2 3.27Å; L716-L769 HydrophobicContact CD1-CD2 4.45Å; L716-L769 HydrophobicContact CD2-CD2 4.27Å; L765-L769 HydrophobicContact CD1-CD1 4.42Å; L765-L769 HydrophobicContact CD1-CG 4.36Å; L765-L769 HydrophobicContact CG-CD1 4.12Å; L765-L769 HydrophobicContact CG-CG 4.43Å; L765-L769 WeakPolarHBondContact O-CB 3.45Å; L765-L769 VanDerWaalsContact O-CG 3.26Å; L765-L769 WeakPolarHBondContact O-CG 3.28Å; L765-L769 PolarHBondContact O-N 3.38Å; L767-L769 VanDerWaalsContact C-N 3.35Å; L767-L769 PolarHBondContact O-N 3.32Å; L769-I772 HydrophobicContact CD2-CD1 4.21Å; L769-I772 WeakPolarHBondContact O-CG1 3.4Å; L769-R774 HydrophobicContact CB-CB 4.24Å; L769-R774 HydrophobicContact CD2-CB 4.29Å; L769-R774 CarbonylContact O-C 3.55Å; L769-R774 WeakPolarHBondContact O-CA 3.43Å; L769-R774 WeakPolarHBondContact O-CB 3.31Å; L769-R774 PolarHBondContact O-N 3Å; L769-M778 HydrophobicContact CB-CB 4.14Å; L769-M778 HydrophobicContact CD1-CB 4.32Å; L769-L781 HydrophobicContact CD1-CD2 4.37Å
770	T	89.8	Confident	87.2	Confident	58 Å²	58	52.1 Å²	52.1	36%	0.356	27%	0.273	S	S	.	.	H	α-helix	trans	-69	-40.8	178.4	-55.4	0	0	0	0	111	C766 L767 A768 G773	C766-T770 WeakPolarHBondContact O-CB 3.41Å; C766-T770 PolarHBondContact O-N 2.95Å; C766-T770 PolarHBondContact O-OG1 2.84Å; L767-T770 PolarHBondContact O-N 3.25Å; A768-T770 VanDerWaalsContact C-N 3.31Å; A768-T770 PolarHBondContact O-N 3.34Å; T770-G773 PolarHBondContact O-N 2.93Å; T770-G773 VanDerWaalsContact O-N 3.13Å
771	T	91.3	Very high	87	Confident	76 Å²	76	50 Å²	50	47%	0.466	26%	0.258	S	S	.	.	H	α-helix	trans	-68	-35	179.7	56.3	0	0	0	0	112.5	F719 L767 A768 G773	F719-T771 HydrophobicContact CD2-CG2 4.49Å; F719-T771 VanDerWaalsContact CD2-OG1 3.31Å; F719-T771 WeakPolarHBondContact CD2-OG1 3.45Å; F719-T771 HydrophobicContact CE2-CG2 3.73Å; F719-T771 WeakPolarHBondContact CE2-OG1 3.35Å; F719-T771 HydrophobicContact CZ-CG2 4.24Å; L767-T771 HydrophobicContact CD1-CG2 4.37Å; L767-T771 WeakPolarHBondContact O-CG2 3.49Å; L767-T771 PolarHBondContact O-N 3.13Å; L767-T771 PolarHBondContact O-OG1 2.97Å; A768-T771 WeakPolarHBondContact CA-OG1 3.42Å; A768-T771 PolarHBondContact O-N 3.35Å; A768-T771 PolarHBondContact O-OG1 3.15Å; T771-G773 PolarHBondContact O-N 3.48Å
772	I	91.5	Very high	86.8	Confident	37 Å²	37	54.1 Å²	54.1	19%	0.19	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	11.4	173.3	68.6	151.6	0	0	0	113.9	D712 L716 A768 L769 R774	D712-I772 HydrophobicContact CB-CD1 4.04Å; L716-I772 HydrophobicContact CD2-CD1 3.95Å; L716-I772 HydrophobicContact CD2-CG1 4.29Å; L716-I772 HydrophobicContact CD2-CG2 4.32Å; L716-I772 HydrophobicContact CG-CD1 3.98Å; A768-I772 WeakPolarHBondContact O-CG1 3.45Å; A768-I772 PolarHBondContact O-N 3.49Å; L769-I772 HydrophobicContact CD2-CD1 4.21Å; L769-I772 WeakPolarHBondContact O-CG1 3.4Å; I772-R774 HydrophobicContact CD1-CB 4.2Å; I772-R774 HydrophobicContact CD1-CG 3.55Å; I772-R774 HydrophobicContact CG1-CB 4.07Å; I772-R774 HydrophobicContact CG1-CG 3.79Å
773	G	89.1	Confident	86.5	Confident	65 Å²	65	61.6 Å²	61.6	67%	0.67	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	19	176.9	0	0	0	0	0	114.8	T770 T771	T770-G773 PolarHBondContact O-N 2.93Å; T770-G773 VanDerWaalsContact O-N 3.13Å; T771-G773 PolarHBondContact O-N 3.48Å
774	R	89.1	Confident	86	Confident	27 Å²	27	62.7 Å²	62.7	10%	0.102	30%	0.297	C	S	.	.			trans	-102.2	34.1	-177.4	-66.9	-51.6	-164.3	117.5	6.2	114.2	Y707 K709 D712 L769 I772 R776 T777 M778	Y707-R774 PolarHBondContact O-NH1 3.23Å; K709-R774 VanDerWaalsContact CE-NH2 3.32Å; D712-R774 IonicContact OD1-CZ 2.77Å; D712-R774 VanDerWaalsContact OD1-CZ 3.23Å; D712-R774 IonicContact OD1-NE 2.75Å; D712-R774 PolarHBondContact OD1-NE 3.04Å; D712-R774 VanDerWaalsContact OD1-NE 3.09Å; D712-R774 IonicContact OD1-NH2 3.16Å; D712-R774 PolarHBondContact OD1-NH2 3.02Å; D712-R774 IonicContact OD2-CZ 3.26Å; D712-R774 IonicContact OD2-NE 3.76Å; D712-R774 PolarHBondContact OD2-NE 2.91Å; D712-R774 IonicContact OD2-NH1 3.19Å; D712-R774 IonicContact OD2-NH2 2.77Å; D712-R774 PolarHBondContact OD2-NH2 3.49Å; L769-R774 HydrophobicContact CB-CB 4.24Å; L769-R774 HydrophobicContact CD2-CB 4.29Å; L769-R774 CarbonylContact O-C 3.55Å; L769-R774 WeakPolarHBondContact O-CA 3.43Å; L769-R774 WeakPolarHBondContact O-CB 3.31Å; L769-R774 PolarHBondContact O-N 3Å; I772-R774 HydrophobicContact CD1-CB 4.2Å; I772-R774 HydrophobicContact CD1-CG 3.55Å; I772-R774 HydrophobicContact CG1-CB 4.07Å; I772-R774 HydrophobicContact CG1-CG 3.79Å; R774-R776 PolarHBondContact O-N 3.16Å; R774-T777 VanDerWaalsContact CB-OG1 3.28Å; R774-T777 WeakPolarHBondContact CB-OG1 2.9Å; R774-T777 PolarHBondContact O-N 3.39Å; R774-T777 PolarHBondContact O-OG1 3.42Å; R774-M778 PolarHBondContact O-N 3.5Å
775	K	85	Confident	85.3	Confident	121 Å²	121	60.9 Å²	60.9	53%	0.526	29%	0.289	S	S	.	.	H	α-helix	trans	-55.6	-45.4	-179.6	-169	177.9	179.3	178	0	114	T777 M778 E779	K775-T777 PolarHBondContact O-N 3.25Å; K775-M778 HydrophobicContact CG-CE 4.07Å; K775-M778 WeakPolarHBondContact O-CB 3.21Å; K775-M778 PolarHBondContact O-N 3.02Å; K775-E779 WeakPolarHBondContact O-CG 3.37Å; K775-E779 PolarHBondContact O-N 3.48Å
776	R	86	Confident	84.5	Confident	208 Å²	208	66.8 Å²	66.8	79%	0.785	32%	0.315	S	S	*	.	H	α-helix	trans	-63.5	-43.2	-180	-69.2	-176.7	-177.6	171.6	1.4	112.8	R774 M778 E779 Q780	R774-R776 PolarHBondContact O-N 3.16Å; R776-M778 VanDerWaalsContact C-N 3.33Å; R776-E779 PolarHBondContact O-N 3.15Å; R776-Q780 WeakPolarHBondContact O-CG 3.3Å; R776-Q780 PolarHBondContact O-N 2.91Å
777	T	84.6	Confident	83.8	Confident	19 Å²	19	69.6 Å²	69.6	12%	0.117	33%	0.332	C	S	.	.	H	α-helix	trans	-65.5	-37.7	175.9	26.5	0	0	0	0	111.4	Y707 R774 K775 Q780 L781	Y707-T777 HydrophobicContact CD1-CG2 4.34Å; R774-T777 VanDerWaalsContact CB-OG1 3.28Å; R774-T777 WeakPolarHBondContact CB-OG1 2.9Å; R774-T777 PolarHBondContact O-N 3.39Å; R774-T777 PolarHBondContact O-OG1 3.42Å; K775-T777 PolarHBondContact O-N 3.25Å; T777-Q780 PolarHBondContact O-N 3.45Å; T777-L781 WeakPolarHBondContact O-CB 3.4Å; T777-L781 PolarHBondContact O-N 3Å
778	M	81.5	Confident	82.5	Confident	17 Å²	17	68.3 Å²	68.3	8%	0.084	33%	0.325	C	S	.	.	H	α-helix	trans	-61.7	-44.5	172.4	175.4	-77.4	-67.2	0	0	111.5	C766 L769 R774 K775 R776 Q780 L781 R782	C766-M778 HydrophobicContact CB-CG 4.03Å; L769-M778 HydrophobicContact CB-CB 4.14Å; L769-M778 HydrophobicContact CD1-CB 4.32Å; R774-M778 PolarHBondContact O-N 3.5Å; K775-M778 HydrophobicContact CG-CE 4.07Å; K775-M778 WeakPolarHBondContact O-CB 3.21Å; K775-M778 PolarHBondContact O-N 3.02Å; R776-M778 VanDerWaalsContact C-N 3.33Å; M778-Q780 VanDerWaalsContact C-N 3.33Å; M778-Q780 PolarHBondContact O-N 3.23Å; M778-L781 PolarHBondContact O-N 3.45Å; M778-R782 PolarHBondContact O-N 3.47Å; M778-R782 WeakPolarHBondContact SD-CD 3.43Å; M778-R782 HydrophobicContact SD-CG 3.86Å; M778-R782 PolarHBondContact SD-NE 3.34Å
779	E	83.4	Confident	81	Confident	76 Å²	76	69.8 Å²	69.8	36%	0.355	34%	0.335	S	S	.	.	H	α-helix	trans	-62.6	-39	176.4	-72.6	171.4	-163.8	0	0	112.3	K775 R776 R783	K775-E779 WeakPolarHBondContact O-CG 3.37Å; K775-E779 PolarHBondContact O-N 3.48Å; R776-E779 PolarHBondContact O-N 3.15Å; E779-R783 VanDerWaalsContact O-CG 3.31Å; E779-R783 WeakPolarHBondContact O-CG 3.1Å; E779-R783 PolarHBondContact O-N 3.12Å
780	Q	83.6	Confident	79.4	Confident	93 Å²	93	77.4 Å²	77.4	44%	0.435	37%	0.368	S	S	.	.	H	α-helix	trans	-63.1	-45.4	173.3	-71.9	174.7	-7.7	0	0	111.6	R776 T777 M778 R783 R784	R776-Q780 WeakPolarHBondContact O-CG 3.3Å; R776-Q780 PolarHBondContact O-N 2.91Å; T777-Q780 PolarHBondContact O-N 3.45Å; M778-Q780 VanDerWaalsContact C-N 3.33Å; M778-Q780 PolarHBondContact O-N 3.23Å; Q780-R783 PolarHBondContact O-N 3.13Å; Q780-R784 WeakPolarHBondContact O-CB 3.43Å; Q780-R784 PolarHBondContact O-N 2.94Å
781	L	80.5	Confident	77.6	Confident	2 Å²	2	79.7 Å²	79.7	1%	0.01	38%	0.382	C	S	.	.	H	α-helix	trans	-61.4	-46.5	176.9	-164.9	71.9	0	0	0	110.8	L699 Y707 L765 L769 T777 M778 R783 R784 I785	L699-L781 HydrophobicContact CD1-CD1 3.85Å; L699-L781 HydrophobicContact CD1-CD2 4.39Å; L699-L781 HydrophobicContact CD1-CG 4.09Å; L699-L781 HydrophobicContact CD2-CD2 4.28Å; L699-L781 HydrophobicContact CG-CD1 4.32Å; L699-L781 HydrophobicContact CG-CD2 4.42Å; Y707-L781 HydrophobicContact CE2-CD1 4.42Å; L765-L781 HydrophobicContact CD2-CD2 4.22Å; L769-L781 HydrophobicContact CD1-CD2 4.37Å; T777-L781 WeakPolarHBondContact O-CB 3.4Å; T777-L781 PolarHBondContact O-N 3Å; M778-L781 PolarHBondContact O-N 3.45Å; L781-R783 PolarHBondContact O-N 3.23Å; L781-R784 WeakPolarHBondContact O-CA 3Å; L781-R784 WeakPolarHBondContact O-CB 3.3Å; L781-R784 PolarHBondContact O-N 3.06Å; L781-R784 VanDerWaalsContact O-N 3.07Å; L781-I785 HydrophobicContact CG-CD1 4.18Å; L781-I785 VanDerWaalsContact O-CG1 3.31Å; L781-I785 WeakPolarHBondContact O-CG1 3.4Å; L781-I785 PolarHBondContact O-N 3.05Å
782	R	79.3	Confident	75.4	Confident	97 Å²	97	79.9 Å²	79.9	37%	0.366	38%	0.377	S	S	.	.	H	α-helix	trans	-59.2	-44.5	175.5	-77.4	-169.9	176	-154.2	-5	112.6	C766 M778 R784 K786	C766-R782 PolarHBondContact SG-NE 2.95Å; M778-R782 PolarHBondContact O-N 3.47Å; M778-R782 WeakPolarHBondContact SD-CD 3.43Å; M778-R782 HydrophobicContact SD-CG 3.86Å; M778-R782 PolarHBondContact SD-NE 3.34Å; R782-R784 VanDerWaalsContact C-N 3.26Å; R782-R784 PolarHBondContact O-N 3.35Å; R782-K786 WeakPolarHBondContact O-CG 3.44Å; R782-K786 PolarHBondContact O-N 2.95Å
783	R	80	Confident	73.2	Confident	172 Å²	172	83.9 Å²	83.9	65%	0.649	40%	0.4	S	S	*	.	H	α-helix	trans	-60.9	-38.9	175	-73.5	175.8	-168.7	175.5	5.7	111	E779 Q780 L781 T787	E779-R783 VanDerWaalsContact O-CG 3.31Å; E779-R783 WeakPolarHBondContact O-CG 3.1Å; E779-R783 PolarHBondContact O-N 3.12Å; Q780-R783 PolarHBondContact O-N 3.13Å; L781-R783 PolarHBondContact O-N 3.23Å; R783-T787 PolarHBondContact O-N 3.33Å; R783-T787 VanDerWaalsContact O-N 3.07Å; R783-T787 PolarHBondContact O-OG1 2.76Å
784	R	73.7	Confident	70.9	Confident	102 Å²	102	87.8 Å²	87.8	39%	0.385	41%	0.405	S	S	.	.	H	α-helix	trans	-69.3	-45.7	179.8	-166.9	61.2	174.6	153.4	3.2	112.4	E702 Q780 L781 R782 K786 T787 L788	E702-R784 IonicContact OE1-NE 3.24Å; Q780-R784 WeakPolarHBondContact O-CB 3.43Å; Q780-R784 PolarHBondContact O-N 2.94Å; L781-R784 WeakPolarHBondContact O-CA 3Å; L781-R784 WeakPolarHBondContact O-CB 3.3Å; L781-R784 PolarHBondContact O-N 3.06Å; L781-R784 VanDerWaalsContact O-N 3.07Å; R782-R784 VanDerWaalsContact C-N 3.26Å; R782-R784 PolarHBondContact O-N 3.35Å; R784-K786 VanDerWaalsContact C-N 3.33Å; R784-K786 PolarHBondContact O-N 2.94Å; R784-T787 WeakPolarHBondContact O-CA 3.31Å; R784-T787 VanDerWaalsContact O-CB 3.3Å; R784-T787 WeakPolarHBondContact O-CB 3.22Å; R784-T787 PolarHBondContact O-N 3.02Å; R784-L788 PolarHBondContact O-N 3.41Å
785	I	74.1	Confident	68.6	Low	12 Å²	12	95 Å²	95	6%	0.062	44%	0.437	C	S	.	.	H	α-helix	trans	-56.7	-46.7	173.9	-66.1	166.8	0	0	0	110.6	L699 L762 L781 T787 L788 S789 Y801	L699-I785 HydrophobicContact CD1-CD1 3.59Å; L699-I785 HydrophobicContact CD1-CG1 3.47Å; L699-I785 VanDerWaalsContact CD1-CG1 3.47Å; L699-I785 HydrophobicContact CD2-CD1 4.31Å; L762-I785 HydrophobicContact CD1-CD1 3.44Å; L762-I785 VanDerWaalsContact CD1-CD1 3.44Å; L762-I785 HydrophobicContact CD2-CD1 4.01Å; L762-I785 HydrophobicContact CD2-CG2 4.48Å; L762-I785 HydrophobicContact CG-CD1 4.37Å; L781-I785 HydrophobicContact CG-CD1 4.18Å; L781-I785 VanDerWaalsContact O-CG1 3.31Å; L781-I785 WeakPolarHBondContact O-CG1 3.4Å; L781-I785 PolarHBondContact O-N 3.05Å; I785-T787 PolarHBondContact O-N 3.37Å; I785-L788 PolarHBondContact O-N 2.91Å; I785-L788 VanDerWaalsContact O-N 3.13Å; I785-S789 PolarHBondContact O-N 2.81Å; I785-Y801 HydrophobicContact CG2-CE2 3.8Å
786	K	74.2	Confident	66.5	Low	125 Å²	125	96.8 Å²	96.8	54%	0.543	45%	0.447	S	S	.	.	H	α-helix	trans	-61	-29	174.6	-73.8	-177.8	179.7	-172.3	0	113.4	R782 R784 S789 K790	R782-K786 WeakPolarHBondContact O-CG 3.44Å; R782-K786 PolarHBondContact O-N 2.95Å; R784-K786 VanDerWaalsContact C-N 3.33Å; R784-K786 PolarHBondContact O-N 2.94Å; K786-S789 PolarHBondContact O-OG 3.31Å; K786-S789 VanDerWaalsContact O-OG 3.13Å; K786-K790 WeakPolarHBondContact O-CG 3.35Å; K786-K790 PolarHBondContact O-N 2.77Å
787	T	72.3	Confident	64.3	Low	64 Å²	64	95.7 Å²	95.7	39%	0.393	45%	0.448	S	S	.	.	H	α-helix	trans	-75.3	-41.3	175.7	-48.7	0	0	0	0	110.3	R783 R784 I785 K790 V791	R783-T787 PolarHBondContact O-N 3.33Å; R783-T787 VanDerWaalsContact O-N 3.07Å; R783-T787 PolarHBondContact O-OG1 2.76Å; R784-T787 WeakPolarHBondContact O-CA 3.31Å; R784-T787 VanDerWaalsContact O-CB 3.3Å; R784-T787 WeakPolarHBondContact O-CB 3.22Å; R784-T787 PolarHBondContact O-N 3.02Å; I785-T787 PolarHBondContact O-N 3.37Å; T787-K790 PolarHBondContact O-N 2.87Å; T787-V791 WeakPolarHBondContact O-CG2 3.42Å; T787-V791 PolarHBondContact O-N 3.28Å
788	L	61.9	Low	62	Low	63 Å²	63	96.8 Å²	96.8	33%	0.33	46%	0.456	S	S	.	.	H	α-helix	trans	-64.8	-40	177	-72.1	169	0	0	0	112.2	R784 I785 K790 V791 H792	R784-L788 PolarHBondContact O-N 3.41Å; I785-L788 PolarHBondContact O-N 2.91Å; I785-L788 VanDerWaalsContact O-N 3.13Å; L788-K790 VanDerWaalsContact C-N 3.33Å; L788-K790 PolarHBondContact O-N 3.33Å; L788-V791 PolarHBondContact O-N 2.75Å; L788-H792 PolarHBondContact O-N 2.79Å; L788-H792 PolarHBondContact O-ND1 3.32Å
789	S	59.6	Low	60.2	Low	31 Å²	31	103.1 Å²	103.1	22%	0.217	48%	0.483	C	S	.	.	H	α-helix	trans	-64	-38	176.5	72.5	0	0	0	0	112.3	I785 K786 V791 H792 N793	I785-S789 PolarHBondContact O-N 2.81Å; K786-S789 PolarHBondContact O-OG 3.31Å; K786-S789 VanDerWaalsContact O-OG 3.13Å; S789-V791 VanDerWaalsContact C-N 3.34Å; S789-V791 PolarHBondContact O-N 2.83Å; S789-H792 PolarHBondContact O-N 3.43Å; S789-N793 PolarHBondContact O-N 2.93Å
790	K	56.5	Low	58	Low	160 Å²	160	100.8 Å²	100.8	70%	0.696	47%	0.473	S	S	*	.	H	α-helix	trans	-64	-36.3	174.1	-74.6	179.8	-179.8	-171.2	0	113	K786 T787 L788	K786-K790 WeakPolarHBondContact O-CG 3.35Å; K786-K790 PolarHBondContact O-N 2.77Å; T787-K790 PolarHBondContact O-N 2.87Å; L788-K790 VanDerWaalsContact C-N 3.33Å; L788-K790 PolarHBondContact O-N 3.33Å
791	V	51.9	Low	55.5	Low	107 Å²	107	104.8 Å²	104.8	65%	0.648	49%	0.485	S	S	*	.	H	α-helix	trans	-73.2	-35.3	178	175.2	0	0	0	0	111.4	T787 L788 S789 N793	T787-V791 WeakPolarHBondContact O-CG2 3.42Å; T787-V791 PolarHBondContact O-N 3.28Å; L788-V791 PolarHBondContact O-N 2.75Å; S789-V791 VanDerWaalsContact C-N 3.34Å; S789-V791 PolarHBondContact O-N 2.83Å; V791-N793 PolarHBondContact O-N 3.27Å
792	H	45.8	Very low	54.3	Low	79 Å²	79	109.9 Å²	109.9	37%	0.366	51%	0.509	S	S	.	.	H	α-helix	trans	-82	-6.5	-178	-79.2	73.5	0	0	0	115.2	L788 S789 N794 K795	L788-H792 PolarHBondContact O-N 2.79Å; L788-H792 PolarHBondContact O-ND1 3.32Å; S789-H792 PolarHBondContact O-N 3.43Å; H792-N794 PolarHBondContact O-N 3.07Å; H792-K795 PolarHBondContact O-N 2.83Å
793	N	44.5	Very low	53	Low	122 Å²	122	110.6 Å²	110.6	65%	0.652	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-7.4	177.8	-91.7	-12.3	0	0	0	114.9	S789 V791	S789-N793 PolarHBondContact O-N 2.93Å; V791-N793 PolarHBondContact O-N 3.27Å
794	N	40.6	Very low	51.5	Low	147 Å²	147	107.2 Å²	107.2	79%	0.786	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	5.7	-178.8	-94.8	-5.7	0	0	0	117.3	H792	H792-N794 PolarHBondContact O-N 3.07Å
795	K	42.1	Very low	50.2	Low	179 Å²	179	107.5 Å²	107.5	78%	0.778	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-164.6	-18	162.4	-110.5	151	-168.2	-170.3	0	119.1	H792	H792-K795 PolarHBondContact O-N 2.83Å
796	H	39.8	Very low	48.7	Very low	157 Å²	157	113.4 Å²	113.4	73%	0.727	54%	0.544	S	S	*	.	S	Bend	trans	-147.1	114.7	170.8	-74.3	-72.3	0	0	0	108.4	C798	H796-C798 PolarHBondContact O-N 2.78Å
797	K	39.8	Very low	47	Very low	186 Å²	186	112.7 Å²	112.7	81%	0.809	54%	0.544	S	S	*	.			trans	-50.7	118.6	170.7	-77.6	178.5	175.5	178.9	0	107.4	K799	K797-K799 PolarHBondContact O-N 2.87Å
798	C	37.3	Very low	45.1	Very low	41 Å²	41	116.1 Å²	116.1	28%	0.277	56%	0.555	S	S	.	*			trans	-52.4	107.8	170.1	-174.9	0	0	0	0	106.7	H796 L800	H796-C798 PolarHBondContact O-N 2.78Å; C798-L800 PolarHBondContact O-N 2.9Å
799	K	43.6	Very low	43.9	Very low	150 Å²	150	120.2 Å²	120.2	65%	0.652	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-0.4	-172	-69.3	179.8	179.3	174.2	0	112.5	K797 Y801	K797-K799 PolarHBondContact O-N 2.87Å; K799-Y801 VanDerWaalsContact C-N 3.32Å
800	L	36.8	Very low	42.5	Very low	28 Å²	28	127.7 Å²	127.7	15%	0.147	60%	0.602	C	S	.	*	T	Hydrogen-bonded Turn	trans	-76	-18	-177.9	-152	134.3	0	0	0	113.4	D695 M696 L762 C798	D695-L800 HydrophobicContact CB-CD1 3.27Å; M696-L800 HydrophobicContact CG-CD1 3.73Å; M696-L800 HydrophobicContact CG-CG 4.48Å; M696-L800 HydrophobicContact SD-CD1 3.66Å; M696-L800 HydrophobicContact SD-CD2 4.01Å; M696-L800 HydrophobicContact SD-CG 4.09Å; L762-L800 HydrophobicContact CB-CD2 4.25Å; L762-L800 HydrophobicContact CD2-CD2 3.94Å; C798-L800 PolarHBondContact O-N 2.9Å
801	Y	32	Very low	41.3	Very low	176 Å²	176	124.7 Å²	124.7	69%	0.69	59%	0.594	S	S	*	*			trans	-99.2	0	169.8	-84.7	-79.3	0	0	0	110	I785 K799	I785-Y801 HydrophobicContact CG2-CE2 3.8Å; K799-Y801 VanDerWaalsContact C-N 3.32Å

Retrieved 801 of 801 residues in 153.7 ms (Link to these results)

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