A0A077ZAY7_TRITR Loading...

EST1 DNA bind domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAY7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 778 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.4	Very low	36.4	Very low	239 Å²	239	175.5 Å²	175.5	100%	1.177	88%	0.877	S	S	*	*				0	76.5	0	-145.9	175.1	-172.9	0	0	106.8
2	F	35.1	Very low	36.9	Very low	210 Å²	210	171.8 Å²	171.8	92%	0.921	86%	0.863	S	S	*	*			trans	-120.8	103.2	-177.3	-79.6	-81.3	0	0	0	107
3	S	38.2	Very low	37.8	Very low	125 Å²	125	173.1 Å²	173.1	87%	0.874	86%	0.859	S	S	*	*			trans	-90.7	118.6	168.7	-80.1	0	0	0	0	108.8	D5	S3-D5 PolarHBondContact O-N 3.38Å
4	F	35.3	Very low	39.5	Very low	208 Å²	208	167.2 Å²	167.2	91%	0.912	83%	0.827	S	S	*	*			trans	-52.6	115	158.3	-87.8	-106.5	0	0	0	109.2
5	D	38.4	Very low	42.2	Very low	167 Å²	167	162.6 Å²	162.6	89%	0.893	81%	0.806	S	S	*	*			trans	-98.7	113.8	160.9	-152.9	1.8	0	0	0	107.9	S3	S3-D5 PolarHBondContact O-N 3.38Å
6	G	35.4	Very low	44.8	Very low	54 Å²	54	154.5 Å²	154.5	56%	0.557	77%	0.766	S	S	*	*			trans	-74.4	155.2	-161.1	0	0	0	0	0	114.3	R8	G6-R8 PolarHBondContact O-N 3.05Å
7	M	32.5	Very low	47	Very low	197 Å²	197	154.5 Å²	154.5	97%	0.97	76%	0.764	S	S	*	*			trans	-39.5	115.6	166.1	-64.6	-175.2	-168.4	0	0	111.8
8	R	34.7	Very low	49.2	Very low	236 Å²	236	149.9 Å²	149.9	89%	0.891	75%	0.745	S	S	*	*			trans	-74.3	131.7	157.5	-71.2	-175.2	-164.3	-162.5	3.3	108	G6 E10	G6-R8 PolarHBondContact O-N 3.05Å; R8-E10 PolarHBondContact O-N 3.08Å
9	P	33	Very low	51.2	Low	116 Å²	116	142.1 Å²	142.1	75%	0.753	71%	0.706	S	S	*	*			trans	-66.8	131.8	177.4	28.1	-31.5	0	0	0	109.4	K11	P9-K11 PolarHBondContact O-N 3.16Å; P9-K11 VanDerWaalsContact O-N 3.08Å
10	E	35.9	Very low	52.9	Low	180 Å²	180	136.9 Å²	136.9	84%	0.841	68%	0.681	S	S	*	*			trans	-56.4	112.1	165.8	-82	-171	133.9	0	0	108.2	R8 D12	R8-E10 PolarHBondContact O-N 3.08Å; E10-D12 PolarHBondContact O-N 3.48Å; E10-D12 VanDerWaalsContact O-N 3.15Å
11	K	42.4	Very low	54.4	Low	198 Å²	198	133.3 Å²	133.3	86%	0.861	68%	0.679	S	S	*	*			trans	-58.8	117.7	175.3	-79	179.8	173.3	179.2	0	109.9	P9 K13	P9-K11 PolarHBondContact O-N 3.16Å; P9-K11 VanDerWaalsContact O-N 3.08Å; K11-K13 PolarHBondContact O-N 3.09Å; K11-K13 VanDerWaalsContact O-N 3.08Å
12	D	41.9	Very low	56.6	Low	131 Å²	131	125.6 Å²	125.6	70%	0.701	64%	0.641	S	S	*	*			trans	-11.5	93.5	169.2	-59.4	-37.9	0	0	0	115	E10 F14	E10-D12 PolarHBondContact O-N 3.48Å; E10-D12 VanDerWaalsContact O-N 3.15Å; D12-F14 HydrophobicContact CB-CD2 4.49Å; D12-F14 HydrophobicContact CB-CE2 4.09Å; D12-F14 HydrophobicContact CB-CZ 4.43Å; D12-F14 PolarHBondContact O-N 3.32Å
13	K	49.6	Very low	58.8	Low	189 Å²	189	115.6 Å²	115.6	82%	0.822	60%	0.597	S	S	*	*			trans	-75.8	96.3	161.2	-84.9	178.8	178.8	169.5	0	107.6	K11	K11-K13 PolarHBondContact O-N 3.09Å; K11-K13 VanDerWaalsContact O-N 3.08Å
14	F	61.4	Low	60.5	Low	91 Å²	91	112.3 Å²	112.3	40%	0.399	57%	0.572	S	S	.	*			trans	-61.1	138.2	167.2	-70.3	-79.8	0	0	0	110.2	D12 V18 L19 Q41	D12-F14 HydrophobicContact CB-CD2 4.49Å; D12-F14 HydrophobicContact CB-CE2 4.09Å; D12-F14 HydrophobicContact CB-CZ 4.43Å; D12-F14 PolarHBondContact O-N 3.32Å; F14-V18 HydrophobicContact CD1-CG1 3.92Å; F14-L19 HydrophobicContact CB-CD1 4.4Å; F14-L19 HydrophobicContact CB-CD2 3.98Å; F14-L19 HydrophobicContact CB-CG 3.89Å; F14-Q41 PolarHBondContact O-NE2 2.78Å
15	D	80.3	Confident	62.2	Low	98 Å²	98	104.9 Å²	104.9	52%	0.524	54%	0.541	S	S	.	.			trans	-63.7	149	173.3	-159.8	-16.3	0	0	0	110.4	E17 V18 L19	D15-E17 PolarHBondContact O-N 3.24Å; D15-V18 HydrophobicContact CB-CG2 4.23Å; D15-V18 PolarHBondContact O-N 3.09Å; D15-V18 VanDerWaalsContact O-N 3.08Å; D15-L19 PolarHBondContact O-N 3.49Å
16	M	83.2	Confident	63.6	Low	33 Å²	33	101.4 Å²	101.4	16%	0.163	55%	0.546	C	S	.	.	H	α-helix	trans	-55.7	-37.4	179	-80.2	-176.5	-88.6	0	0	111.4	L19 L20 Q41 L42 E45 Y58	M16-L19 PolarHBondContact O-N 2.8Å; M16-L20 WeakPolarHBondContact O-CB 3.02Å; M16-L20 VanDerWaalsContact O-CG 3.26Å; M16-L20 WeakPolarHBondContact O-CG 3.23Å; M16-L20 PolarHBondContact O-N 3.45Å; M16-Q41 HydrophobicContact CG-CB 4.19Å; M16-L42 HydrophobicContact SD-CD2 3.98Å; M16-E45 HydrophobicContact CE-CG 4.17Å; M16-Y58 HydrophobicContact CE-CE2 4Å; M16-Y58 VanDerWaalsContact CE-OH 3.32Å; M16-Y58 WeakPolarHBondContact CE-OH 3.49Å; M16-Y58 HydrophobicContact SD-CE1 4.48Å; M16-Y58 HydrophobicContact SD-CE2 4.03Å
17	E	82.2	Confident	65.1	Low	155 Å²	155	108.7 Å²	108.7	72%	0.724	56%	0.556	S	S	*	*	H	α-helix	trans	-63.2	-42.1	177.5	-64.6	-171.7	172.1	0	0	112.5	D15 L20 G21	D15-E17 PolarHBondContact O-N 3.24Å; E17-L20 PolarHBondContact O-N 2.97Å; E17-G21 PolarHBondContact O-N 3.29Å
18	V	86.8	Confident	66.8	Low	71 Å²	71	101.1 Å²	101.1	43%	0.43	53%	0.528	S	S	.	.	H	α-helix	trans	-65.5	-45.4	176.6	178.8	0	0	0	0	109.9	F14 D15 L20 G21 M22	F14-V18 HydrophobicContact CD1-CG1 3.92Å; D15-V18 HydrophobicContact CB-CG2 4.23Å; D15-V18 PolarHBondContact O-N 3.09Å; D15-V18 VanDerWaalsContact O-N 3.08Å; V18-L20 VanDerWaalsContact C-N 3.34Å; V18-L20 PolarHBondContact O-N 3.27Å; V18-G21 PolarHBondContact O-N 2.67Å; V18-M22 HydrophobicContact CG1-SD 3.85Å; V18-M22 VanDerWaalsContact O-CG 3.31Å; V18-M22 WeakPolarHBondContact O-CG 3.31Å; V18-M22 PolarHBondContact O-N 3.28Å
19	L	87.4	Confident	68.6	Low	1 Å²	1	90.9 Å²	90.9	1%	0.005	49%	0.493	C	S	.	.	H	α-helix	trans	-62.2	-40.1	178.5	-71.2	174.6	0	0	0	112.3	F14 D15 M16 G21 M22 V23 A34 Q37 L38	F14-L19 HydrophobicContact CB-CD1 4.4Å; F14-L19 HydrophobicContact CB-CD2 3.98Å; F14-L19 HydrophobicContact CB-CG 3.89Å; D15-L19 PolarHBondContact O-N 3.49Å; M16-L19 PolarHBondContact O-N 2.8Å; L19-G21 VanDerWaalsContact C-N 3.31Å; L19-G21 PolarHBondContact O-N 2.63Å; L19-M22 PolarHBondContact O-N 3.15Å; L19-V23 VanDerWaalsContact O-CG2 3.24Å; L19-V23 WeakPolarHBondContact O-CG2 3.39Å; L19-V23 PolarHBondContact O-N 2.85Å; L19-V23 VanDerWaalsContact O-N 3.12Å; L19-A34 HydrophobicContact CD2-CB 4.18Å; L19-Q37 HydrophobicContact CD1-CB 3.94Å; L19-Q37 HydrophobicContact CD2-CB 4.06Å; L19-L38 HydrophobicContact CB-CB 4.13Å; L19-L38 HydrophobicContact CB-CD1 4.1Å; L19-L38 HydrophobicContact CD1-CB 4.45Å
20	L	84.8	Confident	70.7	Confident	39 Å²	39	86 Å²	86	20%	0.204	46%	0.461	C	S	.	.	H	α-helix	trans	-56.3	-44.9	175.2	-78.9	165.4	0	0	0	111.7	M16 E17 V18 M22 L38 L61 F65	M16-L20 WeakPolarHBondContact O-CB 3.02Å; M16-L20 VanDerWaalsContact O-CG 3.26Å; M16-L20 WeakPolarHBondContact O-CG 3.23Å; M16-L20 PolarHBondContact O-N 3.45Å; E17-L20 PolarHBondContact O-N 2.97Å; V18-L20 VanDerWaalsContact C-N 3.34Å; V18-L20 PolarHBondContact O-N 3.27Å; L20-M22 PolarHBondContact O-N 3.31Å; L20-L38 HydrophobicContact CD2-CD1 4.29Å; L20-L38 HydrophobicContact CD2-CD2 3.73Å; L20-L38 HydrophobicContact CG-CD1 4.11Å; L20-L38 HydrophobicContact CG-CD2 4.23Å; L20-L61 HydrophobicContact CD1-CD1 4.23Å; L20-L61 HydrophobicContact CD2-CD2 4.16Å; L20-F65 HydrophobicContact CD2-CB 4.34Å; L20-F65 HydrophobicContact CD2-CD1 4.12Å; L20-F65 HydrophobicContact CD2-CD2 3.74Å; L20-F65 HydrophobicContact CD2-CE1 4.37Å; L20-F65 HydrophobicContact CD2-CE2 4.02Å; L20-F65 HydrophobicContact CD2-CG 3.8Å; L20-F65 HydrophobicContact CD2-CZ 4.32Å
21	G	83.4	Confident	73	Confident	62 Å²	62	80.2 Å²	80.2	64%	0.639	44%	0.436	S	S	*	.	H	α-helix	trans	-67.9	-20.8	176.6	0	0	0	0	0	114.3	E17 V18 L19	E17-G21 PolarHBondContact O-N 3.29Å; V18-G21 PolarHBondContact O-N 2.67Å; L19-G21 VanDerWaalsContact C-N 3.31Å; L19-G21 PolarHBondContact O-N 2.63Å
22	M	85.9	Confident	74.9	Confident	76 Å²	76	72.6 Å²	72.6	37%	0.374	40%	0.401	S	S	.	.	H	α-helix	trans	-95.8	-13.7	-177.8	-68.7	178.2	73.5	0	0	114.3	V18 L19 L20 V24 N31 A34	V18-M22 HydrophobicContact CG1-SD 3.85Å; V18-M22 VanDerWaalsContact O-CG 3.31Å; V18-M22 WeakPolarHBondContact O-CG 3.31Å; V18-M22 PolarHBondContact O-N 3.28Å; L19-M22 PolarHBondContact O-N 3.15Å; L20-M22 PolarHBondContact O-N 3.31Å; M22-V24 PolarHBondContact O-N 3.33Å; M22-N31 WeakPolarHBondContact O-CB 3.46Å; M22-A34 HydrophobicContact CB-CB 3.82Å
23	V	81.3	Confident	77	Confident	1 Å²	1	72 Å²	72	1%	0.006	40%	0.398	C	S	.	.	S	Bend	trans	-57.6	-37.8	-175.7	178.8	0	0	0	0	111.9	L19 V30 N31 R35 L38	L19-V23 VanDerWaalsContact O-CG2 3.24Å; L19-V23 WeakPolarHBondContact O-CG2 3.39Å; L19-V23 PolarHBondContact O-N 2.85Å; L19-V23 VanDerWaalsContact O-N 3.12Å; V23-V30 CarbonylContact O-C 3.55Å; V23-V30 WeakPolarHBondContact O-CA 3.31Å; V23-N31 PolarHBondContact O-N 2.79Å; V23-R35 HydrophobicContact CG1-CB 4.25Å; V23-R35 HydrophobicContact CG1-CG 4.24Å; V23-L38 HydrophobicContact CG2-CD2 3.49Å; V23-L38 VanDerWaalsContact CG2-CD2 3.49Å
24	V	74.4	Confident	78.8	Confident	56 Å²	56	63.1 Å²	63.1	34%	0.339	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-122.8	121.6	178.4	-173.5	0	0	0	0	107.6	M22 C29	M22-V24 PolarHBondContact O-N 3.33Å; V24-C29 WeakPolarHBondContact CA-O 3.47Å
25	D	70.6	Confident	80.1	Confident	51 Å²	51	59.1 Å²	59.1	27%	0.273	34%	0.342	S	S	.	.			trans	-71.8	166.7	175.7	78.4	-1.5	0	0	0	111.3	R27 G28 C29	D25-R27 PolarHBondContact O-N 3.28Å; D25-R27 WeakPolarHBondContact OD1-CA 3.47Å; D25-R27 WeakPolarHBondContact OD1-CB 3.48Å; D25-R27 PolarHBondContact OD1-N 2.97Å; D25-R27 IonicContact OD2-CZ 3.46Å; D25-R27 IonicContact OD2-NE 3.85Å; D25-R27 PolarHBondContact OD2-NE 3.13Å; D25-R27 VanDerWaalsContact OD2-NE 3.17Å; D25-R27 IonicContact OD2-NH2 2.88Å; D25-R27 PolarHBondContact OD2-NH2 2.97Å; D25-G28 PolarHBondContact O-N 2.71Å; D25-G28 PolarHBondContact OD1-N 3.47Å; D25-C29 PolarHBondContact N-O 2.8Å; D25-C29 PolarHBondContact OD1-N 3.14Å
26	G	68.6	Low	80.5	Confident	95 Å²	95	63.5 Å²	63.5	98%	0.979	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-7.6	178.3	0	0	0	0	0	115
27	R	66.9	Low	80.9	Confident	207 Å²	207	65.6 Å²	65.6	78%	0.781	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	0.6	174.9	-62.5	176	-68.8	-128.8	-4.6	112.8	D25	D25-R27 PolarHBondContact O-N 3.28Å; D25-R27 WeakPolarHBondContact OD1-CA 3.47Å; D25-R27 WeakPolarHBondContact OD1-CB 3.48Å; D25-R27 PolarHBondContact OD1-N 2.97Å; D25-R27 IonicContact OD2-CZ 3.46Å; D25-R27 IonicContact OD2-NE 3.85Å; D25-R27 PolarHBondContact OD2-NE 3.13Å; D25-R27 VanDerWaalsContact OD2-NE 3.17Å; D25-R27 IonicContact OD2-NH2 2.88Å; D25-R27 PolarHBondContact OD2-NH2 2.97Å
28	G	69.2	Low	81.4	Confident	37 Å²	37	58.2 Å²	58.2	38%	0.381	33%	0.326	S	S	.	.	S	Bend	trans	80.5	14.7	-178	0	0	0	0	0	114.1	D25	D25-G28 PolarHBondContact O-N 2.71Å; D25-G28 PolarHBondContact OD1-N 3.47Å
29	C	72.2	Confident	81.7	Confident	21 Å²	21	55.5 Å²	55.5	14%	0.142	31%	0.309	C	S	.	.			trans	-97.7	143.8	179.2	-60.8	0	0	0	0	111	V24 D25 C92	V24-C29 WeakPolarHBondContact CA-O 3.47Å; D25-C29 PolarHBondContact N-O 2.8Å; D25-C29 PolarHBondContact OD1-N 3.14Å; C29-C92 HydrophobicContact CB-CB 4.34Å; C29-C92 WeakPolarHBondContact CB-SG 3.35Å; C29-C92 WeakPolarHBondContact SG-CB 3.42Å; C29-C92 CovalentContact SG-SG 2.04Å; C29-C92 PolarHBondContact SG-SG 3.04Å
30	V	76	Confident	82	Confident	15 Å²	15	56.8 Å²	56.8	9%	0.091	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-81.7	123.6	-172.9	179	0	0	0	0	110.4	V23 W32 V70 L73	V23-V30 CarbonylContact O-C 3.55Å; V23-V30 WeakPolarHBondContact O-CA 3.31Å; V30-W32 HydrophobicContact CG1-CD2 4.29Å; V30-W32 HydrophobicContact CG1-CE3 4.43Å; V30-W32 PolarHBondContact O-N 2.91Å; V30-V70 HydrophobicContact CG1-CG2 4.35Å; V30-L73 HydrophobicContact CG2-CD1 3.31Å
31	N	84.8	Confident	82.4	Confident	58 Å²	58	57.3 Å²	57.3	31%	0.31	32%	0.323	S	S	.	.			trans	-78.8	98.3	167.9	-174.5	-23.1	0	0	0	109.7	M22 V23 L33 A34 R35	M22-N31 WeakPolarHBondContact O-CB 3.46Å; V23-N31 PolarHBondContact O-N 2.79Å; N31-L33 VanDerWaalsContact C-N 3.3Å; N31-L33 PolarHBondContact O-N 3.16Å; N31-L33 PolarHBondContact OD1-N 3.35Å; N31-A34 HydrophobicContact CB-CB 4.02Å; N31-A34 PolarHBondContact O-N 3.41Å; N31-A34 PolarHBondContact OD1-N 2.82Å; N31-A34 VanDerWaalsContact OD1-N 3.14Å; N31-R35 WeakPolarHBondContact O-CB 3.14Å; N31-R35 PolarHBondContact O-N 3.2Å
32	W	81.9	Confident	83	Confident	37 Å²	37	54.4 Å²	54.4	14%	0.14	29%	0.293	C	S	.	.	H	α-helix	trans	-62.8	-32.7	-175.7	-67.4	104.5	0	0	0	114.2	V30 R35 R36 V70 F93 P95 I102	V30-W32 HydrophobicContact CG1-CD2 4.29Å; V30-W32 HydrophobicContact CG1-CE3 4.43Å; V30-W32 PolarHBondContact O-N 2.91Å; W32-R35 VanDerWaalsContact CZ3-CZ 3.43Å; W32-R35 VanDerWaalsContact CZ3-NH2 3.35Å; W32-R36 WeakPolarHBondContact O-CB 3.18Å; W32-R36 PolarHBondContact O-N 2.93Å; W32-V70 HydrophobicContact CH2-CG1 3.5Å; W32-V70 VanDerWaalsContact CH2-CG1 3.5Å; W32-V70 HydrophobicContact CZ3-CG1 3.96Å; W32-F93 HydrophobicContact CZ2-CD1 4.36Å; W32-F93 HydrophobicContact CZ2-CE1 4.42Å; W32-P95 HydrophobicContact CZ2-CB 4.09Å; W32-I102 HydrophobicContact CH2-CD1 4.14Å
33	L	85.9	Confident	83.4	Confident	119 Å²	119	51.7 Å²	51.7	62%	0.623	28%	0.279	S	S	*	.	H	α-helix	trans	-71.3	-50.4	179.6	-177.2	65.6	0	0	0	110.4	N31 R35 R36 Q37	N31-L33 VanDerWaalsContact C-N 3.3Å; N31-L33 PolarHBondContact O-N 3.16Å; N31-L33 PolarHBondContact OD1-N 3.35Å; L33-R35 VanDerWaalsContact C-N 3.32Å; L33-R35 PolarHBondContact O-N 3.2Å; L33-R36 PolarHBondContact O-N 3.48Å; L33-Q37 WeakPolarHBondContact O-CG 3.46Å; L33-Q37 PolarHBondContact O-N 2.88Å
34	A	86.9	Confident	84.1	Confident	2 Å²	2	55.2 Å²	55.2	2%	0.017	30%	0.298	C	S	.	.	H	α-helix	trans	-59.8	-43.8	176.6	0	0	0	0	0	111.1	L19 M22 N31 R36 Q37 L38	L19-A34 HydrophobicContact CD2-CB 4.18Å; M22-A34 HydrophobicContact CB-CB 3.82Å; N31-A34 HydrophobicContact CB-CB 4.02Å; N31-A34 PolarHBondContact O-N 3.41Å; N31-A34 PolarHBondContact OD1-N 2.82Å; N31-A34 VanDerWaalsContact OD1-N 3.14Å; A34-R36 PolarHBondContact O-N 3.02Å; A34-Q37 PolarHBondContact O-N 2.87Å; A34-L38 WeakPolarHBondContact O-CB 3.07Å; A34-L38 PolarHBondContact O-N 3.36Å
35	R	88.7	Confident	85	Confident	8 Å²	8	55.7 Å²	55.7	3%	0.03	30%	0.297	C	S	.	.	H	α-helix	trans	-58.9	-44.2	175.5	-169.8	-169.1	70.7	107.7	7.4	112.4	V23 N31 W32 L33 L38 Q39 C66	V23-R35 HydrophobicContact CG1-CB 4.25Å; V23-R35 HydrophobicContact CG1-CG 4.24Å; N31-R35 WeakPolarHBondContact O-CB 3.14Å; N31-R35 PolarHBondContact O-N 3.2Å; W32-R35 VanDerWaalsContact CZ3-CZ 3.43Å; W32-R35 VanDerWaalsContact CZ3-NH2 3.35Å; L33-R35 VanDerWaalsContact C-N 3.32Å; L33-R35 PolarHBondContact O-N 3.2Å; R35-L38 PolarHBondContact O-N 3.2Å; R35-Q39 WeakPolarHBondContact O-CB 3.25Å; R35-Q39 PolarHBondContact O-N 3.32Å; R35-C66 HydrophobicContact CG-CB 4.3Å; R35-C66 PolarHBondContact NH1-O 2.92Å
36	R	88.9	Confident	86.2	Confident	189 Å²	189	53.3 Å²	53.3	71%	0.713	28%	0.284	S	S	*	.	H	α-helix	trans	-67	-39.4	179.7	-175.4	175.5	-179.2	167.1	0.7	111.7	W32 L33 A34 G40	W32-R36 WeakPolarHBondContact O-CB 3.18Å; W32-R36 PolarHBondContact O-N 2.93Å; L33-R36 PolarHBondContact O-N 3.48Å; A34-R36 PolarHBondContact O-N 3.02Å; R36-G40 PolarHBondContact O-N 3.46Å
37	Q	91.5	Very high	87.4	Confident	78 Å²	78	49.3 Å²	49.3	36%	0.364	24%	0.24	S	C	.	.	H	α-helix	trans	-64.1	-46.2	174.3	-72.9	175.8	-27.7	0	0	111.1	L19 L33 A34 G40 Q41	L19-Q37 HydrophobicContact CD1-CB 3.94Å; L19-Q37 HydrophobicContact CD2-CB 4.06Å; L33-Q37 WeakPolarHBondContact O-CG 3.46Å; L33-Q37 PolarHBondContact O-N 2.88Å; A34-Q37 PolarHBondContact O-N 2.87Å; Q37-G40 PolarHBondContact O-N 3.24Å; Q37-Q41 WeakPolarHBondContact O-CG 3.21Å; Q37-Q41 PolarHBondContact O-N 2.83Å
38	L	92.6	Very high	88.6	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60	-48.8	176.7	-178.6	64.4	0	0	0	111.4	L19 L20 V23 A34 R35 G40 Q41 L42 F65	L19-L38 HydrophobicContact CB-CB 4.13Å; L19-L38 HydrophobicContact CB-CD1 4.1Å; L19-L38 HydrophobicContact CD1-CB 4.45Å; L20-L38 HydrophobicContact CD2-CD1 4.29Å; L20-L38 HydrophobicContact CD2-CD2 3.73Å; L20-L38 HydrophobicContact CG-CD1 4.11Å; L20-L38 HydrophobicContact CG-CD2 4.23Å; V23-L38 HydrophobicContact CG2-CD2 3.49Å; V23-L38 VanDerWaalsContact CG2-CD2 3.49Å; A34-L38 WeakPolarHBondContact O-CB 3.07Å; A34-L38 PolarHBondContact O-N 3.36Å; R35-L38 PolarHBondContact O-N 3.2Å; L38-G40 VanDerWaalsContact C-N 3.32Å; L38-G40 PolarHBondContact O-N 3.26Å; L38-Q41 PolarHBondContact O-N 3.47Å; L38-L42 HydrophobicContact CD1-CD1 3.92Å; L38-L42 HydrophobicContact CD1-CG 4.05Å; L38-L42 HydrophobicContact CD2-CD1 4.38Å; L38-L42 HydrophobicContact CG-CD1 3.77Å; L38-L42 HydrophobicContact CG-CG 4.3Å; L38-L42 WeakPolarHBondContact O-CB 2.98Å; L38-L42 WeakPolarHBondContact O-CG 3.26Å; L38-L42 PolarHBondContact O-N 2.88Å; L38-F65 HydrophobicContact CD2-CB 4.16Å
39	Q	94	Very high	89.7	Confident	14 Å²	14	44.4 Å²	44.4	7%	0.065	23%	0.225	C	C	.	.	H	α-helix	trans	-54.6	-48.9	176.1	179.5	-178.6	-16.9	0	0	110.9	R35 Q41 L42 E43 L62 C66 F67 S109	R35-Q39 WeakPolarHBondContact O-CB 3.25Å; R35-Q39 PolarHBondContact O-N 3.32Å; Q39-Q41 PolarHBondContact O-N 3.04Å; Q39-L42 PolarHBondContact O-N 3.29Å; Q39-E43 HydrophobicContact CG-CG 4.35Å; Q39-E43 VanDerWaalsContact CG-OE1 3.26Å; Q39-E43 WeakPolarHBondContact CG-OE1 3.31Å; Q39-E43 PolarHBondContact NE2-OE1 3.44Å; Q39-E43 WeakPolarHBondContact O-CB 3.37Å; Q39-E43 VanDerWaalsContact O-CG 3.32Å; Q39-E43 WeakPolarHBondContact O-CG 3.18Å; Q39-E43 PolarHBondContact O-N 2.95Å; Q39-L62 HydrophobicContact CB-CD1 4.44Å; Q39-L62 HydrophobicContact CG-CD1 3.92Å; Q39-C66 HydrophobicContact CB-CB 4.25Å; Q39-F67 HydrophobicContact CG-CE1 4.47Å; Q39-F67 HydrophobicContact CG-CZ 4.41Å; Q39-S109 VanDerWaalsContact NE2-CB 3.34Å; Q39-S109 PolarHBondContact NE2-OG 3.37Å
40	G	93.3	Very high	90.7	Very high	27 Å²	27	43.4 Å²	43.4	28%	0.278	22%	0.218	S	C	.	.	H	α-helix	trans	-62.5	-40.4	179.5	0	0	0	0	0	113.4	R36 Q37 L38 N44	R36-G40 PolarHBondContact O-N 3.46Å; Q37-G40 PolarHBondContact O-N 3.24Å; L38-G40 VanDerWaalsContact C-N 3.32Å; L38-G40 PolarHBondContact O-N 3.26Å; G40-N44 VanDerWaalsContact O-CB 3.27Å; G40-N44 WeakPolarHBondContact O-CB 3.26Å; G40-N44 PolarHBondContact O-N 2.93Å; G40-N44 VanDerWaalsContact O-N 3.1Å; G40-N44 PolarHBondContact O-ND2 3.14Å; G40-N44 VanDerWaalsContact O-ND2 3.13Å
41	Q	94	Very high	91.4	Very high	51 Å²	51	44 Å²	44	24%	0.238	22%	0.223	C	C	.	.	H	α-helix	trans	-65.5	-50.8	176	-72.6	-176.1	-2.2	0	0	111.5	F14 M16 Q37 L38 Q39 E43 N44 E45	F14-Q41 PolarHBondContact O-NE2 2.78Å; M16-Q41 HydrophobicContact CG-CB 4.19Å; Q37-Q41 WeakPolarHBondContact O-CG 3.21Å; Q37-Q41 PolarHBondContact O-N 2.83Å; L38-Q41 PolarHBondContact O-N 3.47Å; Q39-Q41 PolarHBondContact O-N 3.04Å; Q41-E43 PolarHBondContact O-N 3.5Å; Q41-N44 PolarHBondContact O-N 3.03Å; Q41-E45 WeakPolarHBondContact O-CG 3.46Å; Q41-E45 PolarHBondContact O-N 2.93Å
42	L	95.1	Very high	91.8	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-60.4	-46.7	-179.8	-68.2	172.3	0	0	0	112.1	M16 L38 Q39 N44 E45 M46 Y58 L61 L62	M16-L42 HydrophobicContact SD-CD2 3.98Å; L38-L42 HydrophobicContact CD1-CD1 3.92Å; L38-L42 HydrophobicContact CD1-CG 4.05Å; L38-L42 HydrophobicContact CD2-CD1 4.38Å; L38-L42 HydrophobicContact CG-CD1 3.77Å; L38-L42 HydrophobicContact CG-CG 4.3Å; L38-L42 WeakPolarHBondContact O-CB 2.98Å; L38-L42 WeakPolarHBondContact O-CG 3.26Å; L38-L42 PolarHBondContact O-N 2.88Å; Q39-L42 PolarHBondContact O-N 3.29Å; L42-N44 VanDerWaalsContact C-N 3.32Å; L42-N44 PolarHBondContact O-N 3.27Å; L42-E45 PolarHBondContact O-N 2.61Å; L42-M46 WeakPolarHBondContact O-CB 2.99Å; L42-M46 VanDerWaalsContact O-CG 3.32Å; L42-M46 WeakPolarHBondContact O-CG 3.47Å; L42-M46 PolarHBondContact O-N 3.02Å; L42-Y58 HydrophobicContact CD2-CD1 4.11Å; L42-Y58 HydrophobicContact CD2-CD2 4.19Å; L42-Y58 HydrophobicContact CD2-CG 3.8Å; L42-L61 HydrophobicContact CD1-CB 4.03Å; L42-L61 HydrophobicContact CD2-CB 4.31Å; L42-L61 HydrophobicContact CD2-CD1 4.38Å; L42-L62 HydrophobicContact CB-CB 4.41Å; L42-L62 HydrophobicContact CB-CD1 4.46Å; L42-L62 HydrophobicContact CD1-CB 4.07Å
43	E	95.6	Very high	92.3	Very high	19 Å²	19	43.1 Å²	43.1	9%	0.089	22%	0.221	C	C	.	.	H	α-helix	trans	-62.6	-38.8	177.5	-73.3	178	-171.4	0	0	112.1	Q39 Q41 V47 L62 L113 R116	Q39-E43 HydrophobicContact CG-CG 4.35Å; Q39-E43 VanDerWaalsContact CG-OE1 3.26Å; Q39-E43 WeakPolarHBondContact CG-OE1 3.31Å; Q39-E43 PolarHBondContact NE2-OE1 3.44Å; Q39-E43 WeakPolarHBondContact O-CB 3.37Å; Q39-E43 VanDerWaalsContact O-CG 3.32Å; Q39-E43 WeakPolarHBondContact O-CG 3.18Å; Q39-E43 PolarHBondContact O-N 2.95Å; Q41-E43 PolarHBondContact O-N 3.5Å; E43-V47 WeakPolarHBondContact O-CG2 2.99Å; E43-V47 PolarHBondContact O-N 2.74Å; E43-V47 VanDerWaalsContact O-N 3.09Å; E43-L62 HydrophobicContact CG-CD1 4.24Å; E43-L62 HydrophobicContact CG-CD2 4.15Å; E43-L113 HydrophobicContact CB-CD1 4.35Å; E43-L113 HydrophobicContact CG-CD1 4.4Å; E43-L113 HydrophobicContact CG-CD2 4.49Å; E43-R116 IonicContact OE2-NH1 3.97Å
44	N	94.6	Very high	92.7	Very high	74 Å²	74	38.3 Å²	38.3	40%	0.396	20%	0.196	S	C	.	.	H	α-helix	trans	-67.4	-42.9	177.4	-75.6	-18.6	0	0	0	112	G40 Q41 L42 V47 N48 R116	G40-N44 VanDerWaalsContact O-CB 3.27Å; G40-N44 WeakPolarHBondContact O-CB 3.26Å; G40-N44 PolarHBondContact O-N 2.93Å; G40-N44 VanDerWaalsContact O-N 3.1Å; G40-N44 PolarHBondContact O-ND2 3.14Å; G40-N44 VanDerWaalsContact O-ND2 3.13Å; Q41-N44 PolarHBondContact O-N 3.03Å; L42-N44 VanDerWaalsContact C-N 3.32Å; L42-N44 PolarHBondContact O-N 3.27Å; N44-V47 PolarHBondContact O-N 3.43Å; N44-N48 WeakPolarHBondContact O-CB 3.44Å; N44-N48 PolarHBondContact O-N 2.94Å; N44-N48 PolarHBondContact O-ND2 2.89Å; N44-R116 PolarHBondContact OD1-NH2 3.3Å
45	E	94.2	Very high	92.9	Very high	67 Å²	67	41.3 Å²	41.3	31%	0.313	22%	0.216	S	C	.	.	H	α-helix	trans	-64	-42.4	175.9	-71.2	-59	135.6	0	0	111.7	M16 Q41 L42 V47 N48 S49 Y58	M16-E45 HydrophobicContact CE-CG 4.17Å; Q41-E45 WeakPolarHBondContact O-CG 3.46Å; Q41-E45 PolarHBondContact O-N 2.93Å; L42-E45 PolarHBondContact O-N 2.61Å; E45-V47 VanDerWaalsContact C-N 3.31Å; E45-V47 PolarHBondContact O-N 3.37Å; E45-N48 PolarHBondContact O-N 2.88Å; E45-S49 CarbonylContact O-C 3.54Å; E45-S49 PolarHBondContact O-N 3.09Å; E45-Y58 HydrophobicContact CB-CD2 3.67Å; E45-Y58 HydrophobicContact CB-CE2 3.68Å; E45-Y58 HydrophobicContact CG-CD2 4.36Å; E45-Y58 HydrophobicContact CG-CE2 3.93Å
46	M	94.5	Very high	93.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.4	-40.1	174.8	-74.9	-173.7	71.6	0	0	112.7	L42 L50 A53 E59 L62 L113	L42-M46 WeakPolarHBondContact O-CB 2.99Å; L42-M46 VanDerWaalsContact O-CG 3.32Å; L42-M46 WeakPolarHBondContact O-CG 3.47Å; L42-M46 PolarHBondContact O-N 3.02Å; M46-L50 WeakPolarHBondContact O-CA 3.39Å; M46-A53 HydrophobicContact CB-CB 4.39Å; M46-A53 HydrophobicContact CG-CB 3.94Å; M46-E59 HydrophobicContact CE-CB 3.6Å; M46-E59 HydrophobicContact SD-CB 3.96Å; M46-L62 HydrophobicContact SD-CD2 4.05Å; M46-L113 HydrophobicContact CB-CD1 4.31Å; M46-L113 HydrophobicContact CE-CD2 4.13Å; M46-L113 HydrophobicContact SD-CD2 4.03Å
47	V	94	Very high	93.3	Very high	11 Å²	11	44.1 Å²	44.1	7%	0.067	23%	0.227	C	C	.	.	H	α-helix	trans	-77.1	-32.6	176.8	174.5	0	0	0	0	111.3	E43 N44 E45 L113 R116 L117 K120 Y121	E43-V47 WeakPolarHBondContact O-CG2 2.99Å; E43-V47 PolarHBondContact O-N 2.74Å; E43-V47 VanDerWaalsContact O-N 3.09Å; N44-V47 PolarHBondContact O-N 3.43Å; E45-V47 VanDerWaalsContact C-N 3.31Å; E45-V47 PolarHBondContact O-N 3.37Å; V47-L113 HydrophobicContact CG2-CD1 3.79Å; V47-R116 HydrophobicContact CG1-CB 4.47Å; V47-R116 HydrophobicContact CG2-CB 3.87Å; V47-L117 HydrophobicContact CG2-CD2 4.21Å; V47-L117 HydrophobicContact CG2-CG 4.44Å; V47-K120 HydrophobicContact CG1-CD 3.69Å; V47-K120 WeakPolarHBondContact O-CD 3.43Å; V47-K120 WeakPolarHBondContact O-CE 3.41Å; V47-K120 PolarHBondContact O-NZ 3.19Å; V47-Y121 PolarHBondContact O-OH 3.15Å
48	N	92.9	Very high	93.4	Very high	89 Å²	89	41.2 Å²	41.2	48%	0.476	21%	0.213	S	C	.	.	H	α-helix	trans	-83.9	-36.1	-174.7	-71.9	-26.7	0	0	0	114.3	N44 E45 K120	N44-N48 WeakPolarHBondContact O-CB 3.44Å; N44-N48 PolarHBondContact O-N 2.94Å; N44-N48 PolarHBondContact O-ND2 2.89Å; E45-N48 PolarHBondContact O-N 2.88Å; N48-K120 PolarHBondContact OD1-NZ 3.32Å
49	S	91.8	Very high	93.5	Very high	53 Å²	53	41.5 Å²	41.5	37%	0.371	21%	0.214	S	C	.	.			trans	-146.1	64.3	-174.4	-69.6	0	0	0	0	110.2	E45 S51 L52 A53	E45-S49 CarbonylContact O-C 3.54Å; E45-S49 PolarHBondContact O-N 3.09Å; S49-S51 PolarHBondContact O-N 3.39Å; S49-L52 PolarHBondContact O-N 3.13Å; S49-A53 PolarHBondContact O-N 2.98Å
50	L	93.5	Very high	93.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-49.5	-52.1	-172.5	-178	61	0	0	0	113.7	M46 L52 A53 L54 L117 Y121 I147 D151 A155	M46-L50 WeakPolarHBondContact O-CA 3.39Å; L50-L52 VanDerWaalsContact C-N 3.25Å; L50-L52 PolarHBondContact O-N 3.23Å; L50-A53 PolarHBondContact O-N 3.02Å; L50-A53 VanDerWaalsContact O-N 3.15Å; L50-L54 HydrophobicContact CD1-CD1 4.03Å; L50-L54 HydrophobicContact CD1-CD2 4.29Å; L50-L54 HydrophobicContact CD1-CG 3.92Å; L50-L54 HydrophobicContact CG-CD1 4.08Å; L50-L54 HydrophobicContact CG-CG 4.32Å; L50-L54 WeakPolarHBondContact O-CG 3.46Å; L50-L54 PolarHBondContact O-N 2.87Å; L50-L117 HydrophobicContact CD1-CD2 4.17Å; L50-Y121 HydrophobicContact CB-CE2 3.82Å; L50-Y121 HydrophobicContact CD2-CD2 4.27Å; L50-Y121 HydrophobicContact CD2-CE2 4.09Å; L50-Y121 PolarHBondContact N-OH 2.96Å; L50-I147 HydrophobicContact CD2-CG2 4.34Å; L50-D151 HydrophobicContact CD2-CB 4.36Å; L50-A155 HydrophobicContact CD1-CB 3.79Å; L50-A155 HydrophobicContact CD2-CB 4.28Å
51	S	91.4	Very high	93.4	Very high	27 Å²	27	45.2 Å²	45.2	19%	0.189	23%	0.226	C	C	.	.	H	α-helix	trans	-61.2	-32.6	-178.1	-61.7	0	0	0	0	113.5	S49 S55 D151	S49-S51 PolarHBondContact O-N 3.39Å; S51-S55 PolarHBondContact O-N 3.17Å; S51-D151 WeakPolarHBondContact CA-OD2 3.46Å; S51-D151 WeakPolarHBondContact CB-OD2 2.82Å; S51-D151 PolarHBondContact OG-OD2 2.84Å
52	L	91.5	Very high	93.5	Very high	76 Å²	76	42.8 Å²	42.8	40%	0.398	22%	0.215	S	C	.	.	H	α-helix	trans	-78	-39.9	175.4	179.9	63.9	0	0	0	111.4	S49 L50 L54 S55 R56	S49-L52 PolarHBondContact O-N 3.13Å; L50-L52 VanDerWaalsContact C-N 3.25Å; L50-L52 PolarHBondContact O-N 3.23Å; L52-L54 VanDerWaalsContact C-N 3.33Å; L52-L54 PolarHBondContact O-N 3.45Å; L52-S55 PolarHBondContact O-N 3.25Å; L52-S55 PolarHBondContact O-OG 3.02Å; L52-R56 HydrophobicContact CD1-CG 4.46Å; L52-R56 WeakPolarHBondContact O-CG 3.08Å; L52-R56 PolarHBondContact O-N 3.43Å; L52-R56 VanDerWaalsContact O-N 3.09Å
53	A	93.6	Very high	93.5	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-61.5	-43.5	177.5	0	0	0	0	0	111.2	M46 S49 L50 R56 R57 Y58	M46-A53 HydrophobicContact CB-CB 4.39Å; M46-A53 HydrophobicContact CG-CB 3.94Å; S49-A53 PolarHBondContact O-N 2.98Å; L50-A53 PolarHBondContact O-N 3.02Å; L50-A53 VanDerWaalsContact O-N 3.15Å; A53-R56 CarbonylContact O-C 3.45Å; A53-R56 PolarHBondContact O-N 3.49Å; A53-R57 PolarHBondContact O-N 3.29Å; A53-Y58 HydrophobicContact CB-CD2 3.77Å; A53-Y58 HydrophobicContact CB-CG 4.26Å; A53-Y58 WeakPolarHBondContact O-CB 3.31Å; A53-Y58 PolarHBondContact O-N 3.02Å
54	L	93.2	Very high	93.3	Very high	18 Å²	18	45.4 Å²	45.4	9%	0.094	23%	0.228	C	C	.	.	H	α-helix	trans	-67.5	-40.1	176.5	-65.5	-177.7	0	0	0	112.5	L50 L52 R56 R57 E59 D151 Y154	L50-L54 HydrophobicContact CD1-CD1 4.03Å; L50-L54 HydrophobicContact CD1-CD2 4.29Å; L50-L54 HydrophobicContact CD1-CG 3.92Å; L50-L54 HydrophobicContact CG-CD1 4.08Å; L50-L54 HydrophobicContact CG-CG 4.32Å; L50-L54 WeakPolarHBondContact O-CG 3.46Å; L50-L54 PolarHBondContact O-N 2.87Å; L52-L54 VanDerWaalsContact C-N 3.33Å; L52-L54 PolarHBondContact O-N 3.45Å; L54-R56 PolarHBondContact O-N 3.08Å; L54-R57 PolarHBondContact O-N 2.72Å; L54-E59 HydrophobicContact CD2-CB 4.38Å; L54-E59 HydrophobicContact CD2-CG 4.09Å; L54-E59 WeakPolarHBondContact CD2-OE2 3.31Å; L54-D151 HydrophobicContact CD1-CB 3.6Å; L54-Y154 HydrophobicContact CD1-CD1 3.92Å; L54-Y154 HydrophobicContact CD2-CD1 3.72Å; L54-Y154 HydrophobicContact CD2-CE1 3.71Å; L54-Y154 HydrophobicContact CG-CD1 4.43Å
55	S	91.7	Very high	93	Very high	64 Å²	64	45.2 Å²	45.2	45%	0.448	22%	0.223	S	C	.	.	H	α-helix	trans	-64.2	-27.9	176.3	71.9	0	0	0	0	112.4	S51 L52	S51-S55 PolarHBondContact O-N 3.17Å; L52-S55 PolarHBondContact O-N 3.25Å; L52-S55 PolarHBondContact O-OG 3.02Å
56	R	92.4	Very high	92.9	Very high	139 Å²	139	42 Å²	42	53%	0.525	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	3.4	173.4	-63.2	-178	177.7	-163.5	0.1	114.3	L52 A53 L54 Y58	L52-R56 HydrophobicContact CD1-CG 4.46Å; L52-R56 WeakPolarHBondContact O-CG 3.08Å; L52-R56 PolarHBondContact O-N 3.43Å; L52-R56 VanDerWaalsContact O-N 3.09Å; A53-R56 CarbonylContact O-C 3.45Å; A53-R56 PolarHBondContact O-N 3.49Å; L54-R56 PolarHBondContact O-N 3.08Å; R56-Y58 VanDerWaalsContact C-N 3.3Å; R56-Y58 HydrophobicContact CB-CD1 3.59Å; R56-Y58 HydrophobicContact CB-CE1 3.33Å; R56-Y58 HydrophobicContact CB-CG 4.38Å; R56-Y58 WeakPolarHBondContact CD-OH 3.38Å; R56-Y58 HydrophobicContact CG-CE1 4.2Å; R56-Y58 PolarHBondContact NH1-OH 3.12Å; R56-Y58 PolarHBondContact O-N 3.11Å
57	R	93.2	Very high	92.7	Very high	117 Å²	117	42 Å²	42	44%	0.442	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	34	178.6	-54.5	-180	172.1	-167.3	-7.3	114.5	A53 L54 E59 M60 L61 H584	A53-R57 PolarHBondContact O-N 3.29Å; L54-R57 PolarHBondContact O-N 2.72Å; R57-E59 WeakPolarHBondContact CA-OE2 3.35Å; R57-E59 PolarHBondContact O-N 3.08Å; R57-M60 HydrophobicContact CB-CB 4.25Å; R57-M60 HydrophobicContact CB-CG 4.36Å; R57-M60 HydrophobicContact CB-SD 4.24Å; R57-M60 HydrophobicContact CG-SD 4.32Å; R57-M60 WeakPolarHBondContact O-CB 3.44Å; R57-M60 PolarHBondContact O-N 3.18Å; R57-M60 VanDerWaalsContact O-N 3.07Å; R57-L61 PolarHBondContact O-N 3.27Å; R57-H584 PolarHBondContact NH2-CD2 3.09Å; R57-H584 PolarHBondContact NH2-NE2 2.91Å
58	Y	94.8	Very high	92.5	Very high	18 Å²	18	44.9 Å²	44.9	7%	0.071	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-30.9	-178.5	-74.2	2.1	0	0	0	112.8	M16 L42 E45 A53 R56 L61 L62	M16-Y58 HydrophobicContact CE-CE2 4Å; M16-Y58 VanDerWaalsContact CE-OH 3.32Å; M16-Y58 WeakPolarHBondContact CE-OH 3.49Å; M16-Y58 HydrophobicContact SD-CE1 4.48Å; M16-Y58 HydrophobicContact SD-CE2 4.03Å; L42-Y58 HydrophobicContact CD2-CD1 4.11Å; L42-Y58 HydrophobicContact CD2-CD2 4.19Å; L42-Y58 HydrophobicContact CD2-CG 3.8Å; E45-Y58 HydrophobicContact CB-CD2 3.67Å; E45-Y58 HydrophobicContact CB-CE2 3.68Å; E45-Y58 HydrophobicContact CG-CD2 4.36Å; E45-Y58 HydrophobicContact CG-CE2 3.93Å; A53-Y58 HydrophobicContact CB-CD2 3.77Å; A53-Y58 HydrophobicContact CB-CG 4.26Å; A53-Y58 WeakPolarHBondContact O-CB 3.31Å; A53-Y58 PolarHBondContact O-N 3.02Å; R56-Y58 VanDerWaalsContact C-N 3.3Å; R56-Y58 HydrophobicContact CB-CD1 3.59Å; R56-Y58 HydrophobicContact CB-CE1 3.33Å; R56-Y58 HydrophobicContact CB-CG 4.38Å; R56-Y58 WeakPolarHBondContact CD-OH 3.38Å; R56-Y58 HydrophobicContact CG-CE1 4.2Å; R56-Y58 PolarHBondContact NH1-OH 3.12Å; R56-Y58 PolarHBondContact O-N 3.11Å; Y58-L61 HydrophobicContact CD1-CD1 4.05Å; Y58-L61 PolarHBondContact O-N 3.31Å; Y58-L62 VanDerWaalsContact O-CB 3.31Å; Y58-L62 WeakPolarHBondContact O-CB 3.33Å; Y58-L62 PolarHBondContact O-N 3.19Å
59	E	94.4	Very high	92.1	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.028	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-44	171.8	77.3	-64.2	158.5	0	0	111.5	M46 L54 R57 L61 L62 W63 Y154 F158	M46-E59 HydrophobicContact CE-CB 3.6Å; M46-E59 HydrophobicContact SD-CB 3.96Å; L54-E59 HydrophobicContact CD2-CB 4.38Å; L54-E59 HydrophobicContact CD2-CG 4.09Å; L54-E59 WeakPolarHBondContact CD2-OE2 3.31Å; R57-E59 WeakPolarHBondContact CA-OE2 3.35Å; R57-E59 PolarHBondContact O-N 3.08Å; E59-L61 PolarHBondContact O-N 2.93Å; E59-L62 WeakPolarHBondContact O-CB 3.25Å; E59-L62 PolarHBondContact O-N 3.28Å; E59-W63 PolarHBondContact O-N 3.44Å; E59-Y154 HydrophobicContact CG-CE1 3.95Å; E59-F158 HydrophobicContact CB-CD1 4.15Å; E59-F158 HydrophobicContact CB-CD2 4.24Å; E59-F158 HydrophobicContact CB-CE1 3.85Å; E59-F158 HydrophobicContact CB-CE2 3.94Å; E59-F158 HydrophobicContact CB-CG 4.34Å; E59-F158 HydrophobicContact CB-CZ 3.74Å; E59-F158 HydrophobicContact CG-CD2 3.88Å; E59-F158 HydrophobicContact CG-CE2 3.71Å; E59-F158 HydrophobicContact CG-CG 4.35Å; E59-F158 HydrophobicContact CG-CZ 4.06Å; E59-F158 WeakPolarHBondContact O-CZ 3.14Å
60	M	92.7	Very high	91.7	Very high	77 Å²	77	40.8 Å²	40.8	38%	0.379	19%	0.194	S	C	.	.	H	α-helix	trans	-66.3	-39	176.4	-65.9	-174.3	71.2	0	0	111.6	R57 W63 N64	R57-M60 HydrophobicContact CB-CB 4.25Å; R57-M60 HydrophobicContact CB-CG 4.36Å; R57-M60 HydrophobicContact CB-SD 4.24Å; R57-M60 HydrophobicContact CG-SD 4.32Å; R57-M60 WeakPolarHBondContact O-CB 3.44Å; R57-M60 PolarHBondContact O-N 3.18Å; R57-M60 VanDerWaalsContact O-N 3.07Å; M60-W63 PolarHBondContact O-N 3.15Å; M60-N64 VanDerWaalsContact O-CB 3.31Å; M60-N64 WeakPolarHBondContact O-CB 3.27Å; M60-N64 VanDerWaalsContact O-CG 3.31Å; M60-N64 PolarHBondContact O-N 3.34Å; M60-N64 PolarHBondContact O-ND2 3.5Å
61	L	93	Very high	91.3	Very high	42 Å²	42	40.9 Å²	40.9	22%	0.22	20%	0.195	C	C	.	.	H	α-helix	trans	-62.8	-44.9	175	-66.2	177.2	0	0	0	111	L20 L42 R57 Y58 E59 W63 N64 F65	L20-L61 HydrophobicContact CD1-CD1 4.23Å; L20-L61 HydrophobicContact CD2-CD2 4.16Å; L42-L61 HydrophobicContact CD1-CB 4.03Å; L42-L61 HydrophobicContact CD2-CB 4.31Å; L42-L61 HydrophobicContact CD2-CD1 4.38Å; R57-L61 PolarHBondContact O-N 3.27Å; Y58-L61 HydrophobicContact CD1-CD1 4.05Å; Y58-L61 PolarHBondContact O-N 3.31Å; E59-L61 PolarHBondContact O-N 2.93Å; L61-W63 PolarHBondContact O-N 2.81Å; L61-N64 PolarHBondContact O-N 3.45Å; L61-F65 HydrophobicContact CD2-CD2 3.95Å; L61-F65 HydrophobicContact CD2-CE2 3.7Å; L61-F65 WeakPolarHBondContact O-CB 3.46Å; L61-F65 PolarHBondContact O-N 3.26Å
62	L	95	Very high	90.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.2	C	C	.	.	I	π-helix	trans	-57.5	-50.9	176.9	176.2	65.5	0	0	0	110.6	Q39 L42 E43 M46 Y58 E59 C66 F67 L113	Q39-L62 HydrophobicContact CB-CD1 4.44Å; Q39-L62 HydrophobicContact CG-CD1 3.92Å; L42-L62 HydrophobicContact CB-CB 4.41Å; L42-L62 HydrophobicContact CB-CD1 4.46Å; L42-L62 HydrophobicContact CD1-CB 4.07Å; E43-L62 HydrophobicContact CG-CD1 4.24Å; E43-L62 HydrophobicContact CG-CD2 4.15Å; M46-L62 HydrophobicContact SD-CD2 4.05Å; Y58-L62 VanDerWaalsContact O-CB 3.31Å; Y58-L62 WeakPolarHBondContact O-CB 3.33Å; Y58-L62 PolarHBondContact O-N 3.19Å; E59-L62 WeakPolarHBondContact O-CB 3.25Å; E59-L62 PolarHBondContact O-N 3.28Å; L62-C66 HydrophobicContact CD1-CB 4.08Å; L62-C66 WeakPolarHBondContact O-CB 3.49Å; L62-C66 PolarHBondContact O-N 3.22Å; L62-C66 VanDerWaalsContact O-N 3.11Å; L62-F67 HydrophobicContact CD1-CE2 3.8Å; L62-F67 HydrophobicContact CD1-CZ 3.8Å; L62-F67 HydrophobicContact CD2-CE2 4.09Å; L62-F67 HydrophobicContact CG-CD2 4.28Å; L62-F67 HydrophobicContact CG-CE2 3.63Å; L62-F67 HydrophobicContact CG-CZ 4.17Å; L62-F67 PolarHBondContact O-N 3.41Å; L62-L113 HydrophobicContact CD2-CD2 3.69Å
63	W	95	Very high	90.1	Very high	24 Å²	24	40.9 Å²	40.9	9%	0.091	19%	0.193	C	C	.	.	I	π-helix	trans	-62.7	-52.8	178.2	173.8	-114.6	0	0	0	112.3	E59 M60 L61 F67 K68 L71 F158 H162 D165 V166	E59-W63 PolarHBondContact O-N 3.44Å; M60-W63 PolarHBondContact O-N 3.15Å; L61-W63 PolarHBondContact O-N 2.81Å; W63-F67 HydrophobicContact CE3-CB 3.8Å; W63-F67 HydrophobicContact CE3-CD2 4.05Å; W63-F67 HydrophobicContact CE3-CG 4.44Å; W63-F67 HydrophobicContact CZ3-CB 4.02Å; W63-F67 CarbonylContact O-C 3.59Å; W63-F67 WeakPolarHBondContact O-CB 3.37Å; W63-F67 PolarHBondContact O-N 2.83Å; W63-K68 HydrophobicContact CD2-CB 4.38Å; W63-K68 HydrophobicContact CZ2-CB 4.32Å; W63-K68 WeakPolarHBondContact O-CB 3.3Å; W63-K68 PolarHBondContact O-N 3.22Å; W63-L71 HydrophobicContact CH2-CD1 4.07Å; W63-L71 HydrophobicContact CZ3-CD1 4.43Å; W63-F158 HydrophobicContact CB-CZ 3.79Å; W63-H162 AromaticContact CD1-CE1 3.59Å; W63-H162 AromaticContact CD1-NE2 3.91Å; W63-H162 HydrophobicContact CD2-CB 4.32Å; W63-H162 AromaticContact CD2-CE1 3.61Å; W63-H162 AromaticContact CD2-CG 3.68Å; W63-H162 AromaticContact CD2-ND1 3.42Å; W63-H162 AromaticContact CD2-NE2 4Å; W63-H162 AromaticContact CE2-CE1 3.48Å; W63-H162 VanDerWaalsContact CE2-CE1 3.48Å; W63-H162 AromaticContact CE2-ND1 3.3Å; W63-H162 VanDerWaalsContact CE2-ND1 3.3Å; W63-H162 HydrophobicContact CE3-CB 3.72Å; W63-H162 AromaticContact CE3-CG 3.59Å; W63-H162 AromaticContact CE3-ND1 3.72Å; W63-H162 AromaticContact CG-CE1 3.69Å; W63-H162 AromaticContact CG-ND1 4Å; W63-H162 AromaticContact CG-NE2 3.76Å; W63-H162 HydrophobicContact CH2-CB 4.23Å; W63-H162 AromaticContact CH2-ND1 3.82Å; W63-H162 AromaticContact CZ2-ND1 3.51Å; W63-H162 HydrophobicContact CZ3-CB 3.68Å; W63-H162 AromaticContact CZ3-CG 3.91Å; W63-H162 AromaticContact CZ3-ND1 3.91Å; W63-H162 AromaticContact NE1-CE1 3.42Å; W63-H162 PolarHBondContact NE1-CE1 2.79Å; W63-H162 AromaticContact NE1-ND1 3.76Å; W63-D165 HydrophobicContact CH2-CB 3.91Å; W63-D165 HydrophobicContact CZ2-CB 4.17Å; W63-V166 HydrophobicContact CH2-CG2 4.34Å; W63-V166 HydrophobicContact CZ3-CG2 4.29Å
64	N	91.4	Very high	89	Confident	51 Å²	51	44.3 Å²	44.3	27%	0.273	21%	0.205	S	C	.	.	I	π-helix	trans	-68.2	-50.3	-171.8	-70.6	-38.8	0	0	0	112.4	M60 L61 N69	M60-N64 VanDerWaalsContact O-CB 3.31Å; M60-N64 WeakPolarHBondContact O-CB 3.27Å; M60-N64 VanDerWaalsContact O-CG 3.31Å; M60-N64 PolarHBondContact O-N 3.34Å; M60-N64 PolarHBondContact O-ND2 3.5Å; L61-N64 PolarHBondContact O-N 3.45Å; N64-N69 WeakPolarHBondContact O-CB 3.49Å; N64-N69 PolarHBondContact O-N 3.45Å; N64-N69 VanDerWaalsContact O-N 3.12Å; N64-N69 PolarHBondContact O-ND2 2.79Å; N64-N69 PolarHBondContact O-OD1 3.48Å
65	F	89.5	Confident	87.9	Confident	69 Å²	69	46.8 Å²	46.8	30%	0.303	22%	0.216	S	C	.	.	I	π-helix	trans	-86.1	-37.9	-172.1	-70.4	-90	0	0	0	113.2	L20 L38 L61	L20-F65 HydrophobicContact CD2-CB 4.34Å; L20-F65 HydrophobicContact CD2-CD1 4.12Å; L20-F65 HydrophobicContact CD2-CD2 3.74Å; L20-F65 HydrophobicContact CD2-CE1 4.37Å; L20-F65 HydrophobicContact CD2-CE2 4.02Å; L20-F65 HydrophobicContact CD2-CG 3.8Å; L20-F65 HydrophobicContact CD2-CZ 4.32Å; L38-F65 HydrophobicContact CD2-CB 4.16Å; L61-F65 HydrophobicContact CD2-CD2 3.95Å; L61-F65 HydrophobicContact CD2-CE2 3.7Å; L61-F65 WeakPolarHBondContact O-CB 3.46Å; L61-F65 PolarHBondContact O-N 3.26Å
66	C	90.6	Very high	86.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	22%	0.223	C	C	.	.	I	π-helix	trans	-89.3	-29.4	-175.4	-56.2	0	0	0	0	112.8	R35 Q39 L62	R35-C66 HydrophobicContact CG-CB 4.3Å; R35-C66 PolarHBondContact NH1-O 2.92Å; Q39-C66 HydrophobicContact CB-CB 4.25Å; L62-C66 HydrophobicContact CD1-CB 4.08Å; L62-C66 WeakPolarHBondContact O-CB 3.49Å; L62-C66 PolarHBondContact O-N 3.22Å; L62-C66 VanDerWaalsContact O-N 3.11Å
67	F	91.5	Very high	85.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-116.9	-63.1	-171.6	-55.9	-35.3	0	0	0	113.6	Q39 L62 W63 N69 V70 L71 I106 L110	Q39-F67 HydrophobicContact CG-CE1 4.47Å; Q39-F67 HydrophobicContact CG-CZ 4.41Å; L62-F67 HydrophobicContact CD1-CE2 3.8Å; L62-F67 HydrophobicContact CD1-CZ 3.8Å; L62-F67 HydrophobicContact CD2-CE2 4.09Å; L62-F67 HydrophobicContact CG-CD2 4.28Å; L62-F67 HydrophobicContact CG-CE2 3.63Å; L62-F67 HydrophobicContact CG-CZ 4.17Å; L62-F67 PolarHBondContact O-N 3.41Å; W63-F67 HydrophobicContact CE3-CB 3.8Å; W63-F67 HydrophobicContact CE3-CD2 4.05Å; W63-F67 HydrophobicContact CE3-CG 4.44Å; W63-F67 HydrophobicContact CZ3-CB 4.02Å; W63-F67 CarbonylContact O-C 3.59Å; W63-F67 WeakPolarHBondContact O-CB 3.37Å; W63-F67 PolarHBondContact O-N 2.83Å; F67-N69 PolarHBondContact O-N 3.18Å; F67-V70 WeakPolarHBondContact O-CB 3.21Å; F67-V70 PolarHBondContact O-N 3.35Å; F67-V70 VanDerWaalsContact O-N 3.13Å; F67-L71 PolarHBondContact O-N 2.93Å; F67-I106 HydrophobicContact CB-CD1 4.07Å; F67-I106 HydrophobicContact CB-CG1 4.26Å; F67-I106 HydrophobicContact CB-CG2 3.97Å; F67-I106 HydrophobicContact CD1-CB 4.3Å; F67-I106 HydrophobicContact CD1-CD1 4.34Å; F67-I106 HydrophobicContact CD1-CG1 3.69Å; F67-I106 HydrophobicContact CD1-CG2 3.96Å; F67-I106 HydrophobicContact CD2-CG2 4.09Å; F67-I106 HydrophobicContact CE1-CG1 4.37Å; F67-I106 HydrophobicContact CE1-CG2 4.48Å; F67-I106 HydrophobicContact CG-CG1 4.17Å; F67-I106 HydrophobicContact CG-CG2 3.74Å; F67-L110 HydrophobicContact CD2-CD2 4.31Å; F67-L110 HydrophobicContact CE2-CD2 3.76Å; F67-L110 HydrophobicContact CE2-CG 4.07Å
68	K	90.1	Very high	83.3	Confident	71 Å²	71	46.5 Å²	46.5	31%	0.309	23%	0.231	S	C	.	.	I	π-helix	trans	-58	-50.2	-173.7	-172.9	-175.5	176.2	-177.5	0	112.7	W63 V70 L71 D72	W63-K68 HydrophobicContact CD2-CB 4.38Å; W63-K68 HydrophobicContact CZ2-CB 4.32Å; W63-K68 WeakPolarHBondContact O-CB 3.3Å; W63-K68 PolarHBondContact O-N 3.22Å; K68-V70 PolarHBondContact O-N 3.5Å; K68-L71 WeakPolarHBondContact O-CB 3.36Å; K68-L71 PolarHBondContact O-N 3.5Å; K68-L71 VanDerWaalsContact O-N 3.11Å; K68-D72 PolarHBondContact O-N 3.22Å
69	N	83.8	Confident	80.8	Confident	52 Å²	52	51 Å²	51	28%	0.278	26%	0.263	S	S	.	.	H	α-helix	trans	-55.1	-39.4	178.2	-74.8	-10.8	0	0	0	112.2	N64 F67 L73	N64-N69 WeakPolarHBondContact O-CB 3.49Å; N64-N69 PolarHBondContact O-N 3.45Å; N64-N69 VanDerWaalsContact O-N 3.12Å; N64-N69 PolarHBondContact O-ND2 2.79Å; N64-N69 PolarHBondContact O-OD1 3.48Å; F67-N69 PolarHBondContact O-N 3.18Å; N69-L73 VanDerWaalsContact O-CG 3.23Å; N69-L73 WeakPolarHBondContact O-CG 3.46Å; N69-L73 PolarHBondContact O-N 3.28Å; N69-L73 VanDerWaalsContact O-N 3.14Å
70	V	83.1	Confident	78.2	Confident	5 Å²	5	58.4 Å²	58.4	3%	0.03	30%	0.296	C	S	.	.	H	α-helix	trans	-72.1	-41.2	179.8	-175.7	0	0	0	0	111.3	V30 W32 F67 K68 R74 I102	V30-V70 HydrophobicContact CG1-CG2 4.35Å; W32-V70 HydrophobicContact CH2-CG1 3.5Å; W32-V70 VanDerWaalsContact CH2-CG1 3.5Å; W32-V70 HydrophobicContact CZ3-CG1 3.96Å; F67-V70 WeakPolarHBondContact O-CB 3.21Å; F67-V70 PolarHBondContact O-N 3.35Å; F67-V70 VanDerWaalsContact O-N 3.13Å; K68-V70 PolarHBondContact O-N 3.5Å; V70-R74 PolarHBondContact O-N 3.45Å; V70-I102 HydrophobicContact CG1-CD1 3.92Å; V70-I102 HydrophobicContact CG1-CG1 4.45Å; V70-I102 HydrophobicContact CG1-CG2 3.78Å
71	L	84.9	Confident	75.5	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-60.5	-48.5	173.5	-73.6	167.5	0	0	0	111.2	W63 F67 K68 L73 R74 F75 I102 P103 I106 V166	W63-L71 HydrophobicContact CH2-CD1 4.07Å; W63-L71 HydrophobicContact CZ3-CD1 4.43Å; F67-L71 PolarHBondContact O-N 2.93Å; K68-L71 WeakPolarHBondContact O-CB 3.36Å; K68-L71 PolarHBondContact O-N 3.5Å; K68-L71 VanDerWaalsContact O-N 3.11Å; L71-L73 VanDerWaalsContact C-N 3.32Å; L71-L73 PolarHBondContact O-N 2.97Å; L71-R74 WeakPolarHBondContact O-CB 3.5Å; L71-R74 PolarHBondContact O-N 3.5Å; L71-R74 VanDerWaalsContact O-N 3.08Å; L71-F75 HydrophobicContact CB-CE2 4.29Å; L71-F75 WeakPolarHBondContact O-CD2 3.37Å; L71-F75 PolarHBondContact O-N 3.22Å; L71-I102 HydrophobicContact CD2-CG2 4.34Å; L71-P103 HydrophobicContact CD2-CG 4.38Å; L71-I106 HydrophobicContact CD1-CD1 3.73Å; L71-I106 HydrophobicContact CD2-CD1 3.7Å; L71-I106 HydrophobicContact CG-CD1 3.49Å; L71-I106 VanDerWaalsContact CG-CD1 3.49Å; L71-V166 HydrophobicContact CD1-CG2 3.95Å
72	D	81.9	Confident	72.8	Confident	54 Å²	54	63 Å²	63	29%	0.289	34%	0.343	S	S	.	.	H	α-helix	trans	-61.3	-39.5	-178.8	-73	-14.5	0	0	0	112	K68 R74 F75 K76	K68-D72 PolarHBondContact O-N 3.22Å; D72-R74 VanDerWaalsContact C-N 3.34Å; D72-R74 PolarHBondContact O-N 2.91Å; D72-F75 PolarHBondContact O-N 3.33Å; D72-K76 WeakPolarHBondContact O-CG 3.32Å; D72-K76 PolarHBondContact O-N 2.93Å
73	L	75.3	Confident	69.8	Low	48 Å²	48	67.6 Å²	67.6	25%	0.251	38%	0.381	S	S	.	.	H	α-helix	trans	-63	-38.4	174.9	-74.5	170.4	0	0	0	112.4	V30 N69 L71 K77	V30-L73 HydrophobicContact CG2-CD1 3.31Å; N69-L73 VanDerWaalsContact O-CG 3.23Å; N69-L73 WeakPolarHBondContact O-CG 3.46Å; N69-L73 PolarHBondContact O-N 3.28Å; N69-L73 VanDerWaalsContact O-N 3.14Å; L71-L73 VanDerWaalsContact C-N 3.32Å; L71-L73 PolarHBondContact O-N 2.97Å; L73-K77 PolarHBondContact O-N 3.28Å
74	R	72.3	Confident	66.9	Low	73 Å²	73	70.8 Å²	70.8	28%	0.275	41%	0.407	S	S	.	.	H	α-helix	trans	-62.1	-45.8	172.9	173.5	-179.8	167.6	161.4	-8.9	110.9	V70 L71 D72 K77 G78 T99 A100	V70-R74 PolarHBondContact O-N 3.45Å; L71-R74 WeakPolarHBondContact O-CB 3.5Å; L71-R74 PolarHBondContact O-N 3.5Å; L71-R74 VanDerWaalsContact O-N 3.08Å; D72-R74 VanDerWaalsContact C-N 3.34Å; D72-R74 PolarHBondContact O-N 2.91Å; R74-K77 PolarHBondContact O-N 2.73Å; R74-G78 PolarHBondContact O-N 2.86Å; R74-G78 VanDerWaalsContact O-N 3.16Å; R74-T99 HydrophobicContact CB-CG2 4.29Å; R74-T99 HydrophobicContact CG-CG2 3.94Å; R74-T99 PolarHBondContact NH1-O 3.14Å; R74-A100 PolarHBondContact NH1-O 3.12Å
75	F	70.1	Confident	64	Low	71 Å²	71	76.7 Å²	76.7	31%	0.311	44%	0.438	S	S	.	.	H	α-helix	trans	-65.7	-40.8	-178.6	-73.4	-63.6	0	0	0	113.1	L71 D72 K77 G78 C79 H169	L71-F75 HydrophobicContact CB-CE2 4.29Å; L71-F75 WeakPolarHBondContact O-CD2 3.37Å; L71-F75 PolarHBondContact O-N 3.22Å; D72-F75 PolarHBondContact O-N 3.33Å; F75-K77 VanDerWaalsContact C-N 3.26Å; F75-K77 PolarHBondContact O-N 3.38Å; F75-G78 PolarHBondContact O-N 2.81Å; F75-C79 PolarHBondContact O-N 2.97Å; F75-C79 PolarHBondContact O-SG 2.73Å; F75-H169 HydrophobicContact CE2-CB 3.8Å; F75-H169 HydrophobicContact CZ-CB 3.55Å
76	K	68.1	Low	61.4	Low	140 Å²	140	82.2 Å²	82.2	61%	0.609	46%	0.462	S	S	*	.	H	α-helix	trans	-61.2	-34.1	176.6	-74.1	176.9	-178	175	0	112.7	D72	D72-K76 WeakPolarHBondContact O-CG 3.32Å; D72-K76 PolarHBondContact O-N 2.93Å
77	K	58.9	Low	58.6	Low	112 Å²	112	89.9 Å²	89.9	49%	0.487	50%	0.502	S	S	.	.	H	α-helix	trans	-72.7	-39.8	175.2	-77.1	-171.9	163.9	-159.3	0	113	L73 R74 F75 C79 K80 F93	L73-K77 PolarHBondContact O-N 3.28Å; R74-K77 PolarHBondContact O-N 2.73Å; F75-K77 VanDerWaalsContact C-N 3.26Å; F75-K77 PolarHBondContact O-N 3.38Å; K77-C79 PolarHBondContact O-N 2.71Å; K77-K80 PolarHBondContact O-N 3.01Å; K77-F93 HydrophobicContact CD-CE2 4.22Å; K77-F93 HydrophobicContact CD-CZ 4.5Å
78	G	53.1	Low	55.7	Low	62 Å²	62	97.3 Å²	97.3	64%	0.639	54%	0.542	S	S	*	.	H	α-helix	trans	-59.7	-34	175.4	0	0	0	0	0	113.1	R74 F75	R74-G78 PolarHBondContact O-N 2.86Å; R74-G78 VanDerWaalsContact O-N 3.16Å; F75-G78 PolarHBondContact O-N 2.81Å
79	C	41.8	Very low	53.1	Low	111 Å²	111	99.1 Å²	99.1	75%	0.75	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-16	-179.6	-59.7	0	0	0	0	114.5	F75 K77	F75-C79 PolarHBondContact O-N 2.97Å; F75-C79 PolarHBondContact O-SG 2.73Å; K77-C79 PolarHBondContact O-N 2.71Å
80	K	40.6	Very low	50.9	Low	163 Å²	163	102.7 Å²	102.7	71%	0.709	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-1.7	-180	-70	-173.3	178.1	-172.8	0	113.7	K77 V82	K77-K80 PolarHBondContact O-N 3.01Å; K80-V82 VanDerWaalsContact C-N 3.34Å; K80-V82 PolarHBondContact O-N 2.69Å
81	G	36	Very low	48.8	Very low	66 Å²	66	107.5 Å²	107.5	68%	0.68	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	5.1	-170.5	0	0	0	0	0	117.7
82	V	36.3	Very low	46.9	Very low	149 Å²	149	110.3 Å²	110.3	90%	0.903	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.4	-7.8	-179.5	-172.1	0	0	0	0	112.9	K80	K80-V82 VanDerWaalsContact C-N 3.34Å; K80-V82 PolarHBondContact O-N 2.69Å
83	A	32	Very low	45.1	Very low	96 Å²	96	110 Å²	110	79%	0.793	63%	0.634	S	S	*	*	S	Bend	trans	-130.6	13.4	-165.7	0	0	0	0	0	117.4
84	S	34.3	Very low	43.7	Very low	91 Å²	91	113.4 Å²	113.4	64%	0.636	66%	0.661	S	S	*	*			trans	-150.6	95.3	171.4	68.4	0	0	0	0	114.6	K86	S84-K86 PolarHBondContact O-N 3.3Å; S84-K86 VanDerWaalsContact O-N 3.08Å
85	N	29.9	Very low	42.8	Very low	176 Å²	176	111.8 Å²	111.8	94%	0.941	66%	0.66	S	S	*	*			trans	-69.6	85.1	147.5	-79.4	-14.4	0	0	0	108.1
86	K	34.4	Very low	42.1	Very low	185 Å²	185	112.6 Å²	112.6	80%	0.804	68%	0.68	S	S	*	*			trans	-133.4	108.8	156.3	-83	-167.9	176.1	-177.5	0	108.5	S84	S84-K86 PolarHBondContact O-N 3.3Å; S84-K86 VanDerWaalsContact O-N 3.08Å
87	L	31.1	Very low	41.7	Very low	160 Å²	160	107.4 Å²	107.4	84%	0.838	66%	0.659	S	S	*	*			trans	-40.6	144.5	160.4	-124.5	63.2	0	0	0	110.1
88	D	31.8	Very low	41.8	Very low	156 Å²	156	105.2 Å²	105.2	83%	0.834	66%	0.656	S	S	*	*			trans	92.4	40.4	166.2	-47.3	-23.8	0	0	0	119.6
89	S	35	Very low	42.3	Very low	109 Å²	109	105.1 Å²	105.1	76%	0.762	64%	0.643	S	S	*	*			trans	-107.5	107.7	156.1	71.4	0	0	0	0	110.9
90	V	38.3	Very low	43.5	Very low	128 Å²	128	103.2 Å²	103.2	78%	0.776	64%	0.636	S	S	*	*			trans	-42.2	131.9	169	176.9	0	0	0	0	109.6	C92	V90-C92 PolarHBondContact O-N 3.34Å
91	P	38.3	Very low	45.4	Very low	106 Å²	106	100.6 Å²	100.6	69%	0.688	63%	0.626	S	S	*	*			trans	-63	106.5	178	24.9	-30.6	0	0	0	108.1	F93	P91-F93 PolarHBondContact O-N 3.16Å
92	C	44.7	Very low	47.7	Very low	61 Å²	61	97.8 Å²	97.8	41%	0.412	60%	0.595	S	S	.	*	S	Bend	trans	-70.1	28.9	175.4	-138	0	0	0	0	113.1	C29 V90	C29-C92 HydrophobicContact CB-CB 4.34Å; C29-C92 WeakPolarHBondContact CB-SG 3.35Å; C29-C92 WeakPolarHBondContact SG-CB 3.42Å; C29-C92 CovalentContact SG-SG 2.04Å; C29-C92 PolarHBondContact SG-SG 3.04Å; V90-C92 PolarHBondContact O-N 3.34Å
93	F	44.9	Very low	50.1	Low	48 Å²	48	90.7 Å²	90.7	21%	0.211	55%	0.552	C	S	.	*			trans	-151.8	110	-171.7	-66	-94.3	0	0	0	108.2	W32 K77 P91 P95	W32-F93 HydrophobicContact CZ2-CD1 4.36Å; W32-F93 HydrophobicContact CZ2-CE1 4.42Å; K77-F93 HydrophobicContact CD-CE2 4.22Å; K77-F93 HydrophobicContact CD-CZ 4.5Å; P91-F93 PolarHBondContact O-N 3.16Å; F93-P95 HydrophobicContact CB-CG 4.33Å
94	S	45.7	Very low	52.8	Low	118 Å²	118	90 Å²	90	83%	0.825	54%	0.542	S	S	*	.			trans	-106.3	86.9	139.9	-168.7	0	0	0	0	105.2
95	P	53.6	Low	55.4	Low	39 Å²	39	88.9 Å²	88.9	25%	0.253	53%	0.526	S	S	.	.			trans	-80.5	131.9	-173.7	36.2	-30.7	0	0	0	107.4	W32 F93 I97	W32-P95 HydrophobicContact CZ2-CB 4.09Å; F93-P95 HydrophobicContact CB-CG 4.33Å; P95-I97 WeakPolarHBondContact CB-O 3.36Å; P95-I97 WeakPolarHBondContact CG-O 3.28Å; P95-I97 PolarHBondContact O-N 3.12Å; P95-I97 VanDerWaalsContact O-N 3.09Å
96	A	54.5	Low	58.5	Low	89 Å²	89	80.5 Å²	80.5	74%	0.736	48%	0.481	S	S	*	.	S	Bend	trans	-61.5	-14.2	169.7	0	0	0	0	0	112.2
97	I	59.5	Low	61.2	Low	30 Å²	30	72.8 Å²	72.8	15%	0.154	45%	0.45	C	S	.	.	S	Bend	trans	-127.5	120.4	178.7	-59	169.1	0	0	0	107.8	P95 T99 E101 H105	P95-I97 WeakPolarHBondContact CB-O 3.36Å; P95-I97 WeakPolarHBondContact CG-O 3.28Å; P95-I97 PolarHBondContact O-N 3.12Å; P95-I97 VanDerWaalsContact O-N 3.09Å; I97-T99 PolarHBondContact O-N 2.92Å; I97-E101 HydrophobicContact CG2-CB 3.7Å; I97-H105 HydrophobicContact CD1-CB 4.35Å; I97-H105 VanDerWaalsContact CD1-CD2 3.46Å; I97-H105 WeakPolarHBondContact CD1-CD2 3.48Å
98	P	61.9	Low	64.2	Low	66 Å²	66	67 Å²	67	43%	0.429	43%	0.429	S	S	.	.			trans	-49.1	136.3	173.2	-26.5	34.2	0	0	0	111.5	A100 E101	P98-A100 PolarHBondContact O-N 2.86Å; P98-E101 HydrophobicContact CB-CG 4.35Å; P98-E101 PolarHBondContact O-N 2.67Å
99	T	63.5	Low	67.1	Low	61 Å²	61	60.2 Å²	60.2	37%	0.374	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-51.8	-30.3	-175.8	-48.9	0	0	0	0	113.3	R74 I97 E101 I102	R74-T99 HydrophobicContact CB-CG2 4.29Å; R74-T99 HydrophobicContact CG-CG2 3.94Å; R74-T99 PolarHBondContact NH1-O 3.14Å; I97-T99 PolarHBondContact O-N 2.92Å; T99-E101 VanDerWaalsContact C-N 3.31Å; T99-E101 PolarHBondContact O-N 3.04Å; T99-I102 HydrophobicContact CG2-CD1 4.02Å
100	A	67.5	Low	70	Confident	71 Å²	71	55 Å²	55	59%	0.587	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-61.9	-34.3	176.5	0	0	0	0	0	113.3	R74 P98	R74-A100 PolarHBondContact NH1-O 3.12Å; P98-A100 PolarHBondContact O-N 2.86Å
101	E	79.8	Confident	72.6	Confident	107 Å²	107	51.2 Å²	51.2	50%	0.5	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-88.7	-9.3	-172.6	-64.1	177.4	-166.8	0	0	114	I97 P98 T99 S104 H105	I97-E101 HydrophobicContact CG2-CB 3.7Å; P98-E101 HydrophobicContact CB-CG 4.35Å; P98-E101 PolarHBondContact O-N 2.67Å; T99-E101 VanDerWaalsContact C-N 3.31Å; T99-E101 PolarHBondContact O-N 3.04Å; E101-S104 PolarHBondContact O-N 2.99Å; E101-S104 VanDerWaalsContact O-N 3.12Å; E101-H105 PolarHBondContact O-N 2.94Å
102	I	84	Confident	75.2	Confident	7 Å²	7	49 Å²	49	4%	0.036	32%	0.319	C	S	.	.	H	α-helix	trans	-51.1	-50	-178.1	-67	168.8	0	0	0	112.8	W32 V70 L71 T99 S104 H105 I106	W32-I102 HydrophobicContact CH2-CD1 4.14Å; V70-I102 HydrophobicContact CG1-CD1 3.92Å; V70-I102 HydrophobicContact CG1-CG1 4.45Å; V70-I102 HydrophobicContact CG1-CG2 3.78Å; L71-I102 HydrophobicContact CD2-CG2 4.34Å; T99-I102 HydrophobicContact CG2-CD1 4.02Å; I102-S104 PolarHBondContact O-N 2.69Å; I102-H105 WeakPolarHBondContact O-CB 3.16Å; I102-H105 PolarHBondContact O-N 2.74Å; I102-I106 HydrophobicContact CG2-CD1 3.79Å; I102-I106 HydrophobicContact CG2-CG1 4.47Å; I102-I106 VanDerWaalsContact O-CG1 3.3Å; I102-I106 WeakPolarHBondContact O-CG1 3.19Å; I102-I106 PolarHBondContact O-N 3.24Å
103	P	88.2	Confident	77.6	Confident	1 Å²	1	46 Å²	46	1%	0.006	30%	0.3	C	S	.	.	H	α-helix	trans	-58.8	-45.6	177.7	-27.3	37	0	0	0	112.8	L71 H105 I106 V107 V166 Q170	L71-P103 HydrophobicContact CD2-CG 4.38Å; P103-H105 VanDerWaalsContact C-N 3.31Å; P103-H105 PolarHBondContact O-N 3.47Å; P103-I106 PolarHBondContact O-N 2.98Å; P103-I106 VanDerWaalsContact O-N 3.13Å; P103-V107 WeakPolarHBondContact O-CG2 3.33Å; P103-V107 PolarHBondContact O-N 3.19Å; P103-V166 HydrophobicContact CB-CG1 3.59Å; P103-Q170 HydrophobicContact CB-CG 3.96Å; P103-Q170 HydrophobicContact CG-CG 4.11Å
104	S	88.9	Confident	79.9	Confident	82 Å²	82	44.3 Å²	44.3	57%	0.573	29%	0.292	S	S	*	.	H	α-helix	trans	-62.6	-38.8	178.7	-54.3	0	0	0	0	111.6	E101 I102 G108	E101-S104 PolarHBondContact O-N 2.99Å; E101-S104 VanDerWaalsContact O-N 3.12Å; I102-S104 PolarHBondContact O-N 2.69Å; S104-G108 PolarHBondContact O-N 3.1Å
105	H	88.8	Confident	81.9	Confident	66 Å²	66	41.9 Å²	41.9	31%	0.306	28%	0.275	S	S	.	.	H	α-helix	trans	-62.3	-43.6	173	172.8	-82.5	0	0	0	112.1	I97 E101 I102 P103 G108 S109	I97-H105 HydrophobicContact CD1-CB 4.35Å; I97-H105 VanDerWaalsContact CD1-CD2 3.46Å; I97-H105 WeakPolarHBondContact CD1-CD2 3.48Å; E101-H105 PolarHBondContact O-N 2.94Å; I102-H105 WeakPolarHBondContact O-CB 3.16Å; I102-H105 PolarHBondContact O-N 2.74Å; P103-H105 VanDerWaalsContact C-N 3.31Å; P103-H105 PolarHBondContact O-N 3.47Å; H105-G108 PolarHBondContact O-N 2.82Å; H105-S109 PolarHBondContact CE1-OG 3.34Å; H105-S109 WeakPolarHBondContact O-CB 3.17Å; H105-S109 PolarHBondContact O-N 3.11Å; H105-S109 PolarHBondContact O-OG 2.94Å
106	I	93.3	Very high	83.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.9	-47.8	179.3	-64.4	168.1	0	0	0	110.4	F67 L71 I102 P103 G108 S109 L110 V166	F67-I106 HydrophobicContact CB-CD1 4.07Å; F67-I106 HydrophobicContact CB-CG1 4.26Å; F67-I106 HydrophobicContact CB-CG2 3.97Å; F67-I106 HydrophobicContact CD1-CB 4.3Å; F67-I106 HydrophobicContact CD1-CD1 4.34Å; F67-I106 HydrophobicContact CD1-CG1 3.69Å; F67-I106 HydrophobicContact CD1-CG2 3.96Å; F67-I106 HydrophobicContact CD2-CG2 4.09Å; F67-I106 HydrophobicContact CE1-CG1 4.37Å; F67-I106 HydrophobicContact CE1-CG2 4.48Å; F67-I106 HydrophobicContact CG-CG1 4.17Å; F67-I106 HydrophobicContact CG-CG2 3.74Å; L71-I106 HydrophobicContact CD1-CD1 3.73Å; L71-I106 HydrophobicContact CD2-CD1 3.7Å; L71-I106 HydrophobicContact CG-CD1 3.49Å; L71-I106 VanDerWaalsContact CG-CD1 3.49Å; I102-I106 HydrophobicContact CG2-CD1 3.79Å; I102-I106 HydrophobicContact CG2-CG1 4.47Å; I102-I106 VanDerWaalsContact O-CG1 3.3Å; I102-I106 WeakPolarHBondContact O-CG1 3.19Å; I102-I106 PolarHBondContact O-N 3.24Å; P103-I106 PolarHBondContact O-N 2.98Å; P103-I106 VanDerWaalsContact O-N 3.13Å; I106-G108 VanDerWaalsContact C-N 3.3Å; I106-G108 PolarHBondContact O-N 2.95Å; I106-S109 PolarHBondContact O-N 3.44Å; I106-L110 HydrophobicContact CG2-CD1 3.96Å; I106-L110 HydrophobicContact CG2-CG 4.45Å; I106-L110 WeakPolarHBondContact O-CG 3.32Å; I106-L110 PolarHBondContact O-N 3.14Å; I106-V166 HydrophobicContact CB-CG2 4.28Å; I106-V166 HydrophobicContact CG2-CG2 3.67Å
107	V	93	Very high	85.6	Confident	24 Å²	24	39.3 Å²	39.3	15%	0.145	24%	0.242	C	C	.	.	H	α-helix	trans	-58.6	-43.9	175.9	172.1	0	0	0	0	110.8	P103 N111 I163 V166	P103-V107 WeakPolarHBondContact O-CG2 3.33Å; P103-V107 PolarHBondContact O-N 3.19Å; V107-N111 VanDerWaalsContact O-CB 3.31Å; V107-N111 WeakPolarHBondContact O-CB 3.28Å; V107-N111 PolarHBondContact O-N 3.44Å; V107-N111 PolarHBondContact O-ND2 3.03Å; V107-I163 HydrophobicContact CG1-CG2 4.06Å; V107-I163 HydrophobicContact CG2-CG2 4.28Å; V107-V166 HydrophobicContact CG2-CB 4.01Å; V107-V166 HydrophobicContact CG2-CG1 3.74Å
108	G	92.5	Very high	86.9	Confident	39 Å²	39	39.5 Å²	39.5	40%	0.402	24%	0.242	S	C	.	.	H	α-helix	trans	-62	-42.8	175.5	0	0	0	0	0	113.2	S104 H105 I106 N111 S112	S104-G108 PolarHBondContact O-N 3.1Å; H105-G108 PolarHBondContact O-N 2.82Å; I106-G108 VanDerWaalsContact C-N 3.3Å; I106-G108 PolarHBondContact O-N 2.95Å; G108-N111 PolarHBondContact O-N 2.92Å; G108-S112 WeakPolarHBondContact O-CB 3.33Å; G108-S112 PolarHBondContact O-N 3.22Å
109	S	93.6	Very high	88	Confident	13 Å²	13	46.1 Å²	46.1	9%	0.091	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-47.8	178.2	-57.9	0	0	0	0	111.4	Q39 H105 I106 S112 L113	Q39-S109 VanDerWaalsContact NE2-CB 3.34Å; Q39-S109 PolarHBondContact NE2-OG 3.37Å; H105-S109 PolarHBondContact CE1-OG 3.34Å; H105-S109 WeakPolarHBondContact O-CB 3.17Å; H105-S109 PolarHBondContact O-N 3.11Å; H105-S109 PolarHBondContact O-OG 2.94Å; I106-S109 PolarHBondContact O-N 3.44Å; S109-S112 WeakPolarHBondContact O-CB 3.47Å; S109-S112 PolarHBondContact O-N 3.02Å; S109-L113 PolarHBondContact O-N 3.11Å
110	L	95.6	Very high	89.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.3	-40.3	177.9	-70.5	172	0	0	0	112.3	F67 I106 S112 L113 M114 H162 I163	F67-L110 HydrophobicContact CD2-CD2 4.31Å; F67-L110 HydrophobicContact CE2-CD2 3.76Å; F67-L110 HydrophobicContact CE2-CG 4.07Å; I106-L110 HydrophobicContact CG2-CD1 3.96Å; I106-L110 HydrophobicContact CG2-CG 4.45Å; I106-L110 WeakPolarHBondContact O-CG 3.32Å; I106-L110 PolarHBondContact O-N 3.14Å; L110-S112 VanDerWaalsContact C-N 3.32Å; L110-S112 PolarHBondContact O-N 3.26Å; L110-L113 PolarHBondContact O-N 3.47Å; L110-M114 VanDerWaalsContact O-CB 3.26Å; L110-M114 WeakPolarHBondContact O-CB 3.01Å; L110-M114 PolarHBondContact O-N 3.07Å; L110-H162 HydrophobicContact CD1-CB 3.76Å; L110-I163 HydrophobicContact CB-CD1 3.98Å; L110-I163 HydrophobicContact CB-CG1 3.67Å; L110-I163 HydrophobicContact CD1-CG1 3.92Å; L110-I163 HydrophobicContact CG-CG1 4.47Å
111	N	92.3	Very high	90.2	Very high	47 Å²	47	43.9 Å²	43.9	25%	0.251	23%	0.232	S	C	.	.	H	α-helix	trans	-62.8	-40	173.3	-83.3	-36.9	0	0	0	111.8	V107 G108 S115 I163	V107-N111 VanDerWaalsContact O-CB 3.31Å; V107-N111 WeakPolarHBondContact O-CB 3.28Å; V107-N111 PolarHBondContact O-N 3.44Å; V107-N111 PolarHBondContact O-ND2 3.03Å; G108-N111 PolarHBondContact O-N 2.92Å; N111-S115 WeakPolarHBondContact O-CB 3.37Å; N111-S115 PolarHBondContact O-N 3.48Å; N111-S115 PolarHBondContact O-OG 3.27Å; N111-I163 VanDerWaalsContact OD1-CD1 3.23Å; N111-I163 WeakPolarHBondContact OD1-CD1 3.43Å
112	S	93.2	Very high	90.2	Very high	59 Å²	59	39.6 Å²	39.6	41%	0.413	21%	0.212	S	C	.	.	H	α-helix	trans	-65.1	-48.3	176.8	-174.9	0	0	0	0	111.6	G108 S109 L110 M114 S115 R116	G108-S112 WeakPolarHBondContact O-CB 3.33Å; G108-S112 PolarHBondContact O-N 3.22Å; S109-S112 WeakPolarHBondContact O-CB 3.47Å; S109-S112 PolarHBondContact O-N 3.02Å; L110-S112 VanDerWaalsContact C-N 3.32Å; L110-S112 PolarHBondContact O-N 3.26Å; S112-M114 PolarHBondContact O-N 2.76Å; S112-S115 PolarHBondContact O-N 3.48Å; S112-R116 WeakPolarHBondContact O-CB 3.23Å; S112-R116 VanDerWaalsContact O-CG 3.26Å; S112-R116 WeakPolarHBondContact O-CG 3.24Å; S112-R116 PolarHBondContact O-N 3.28Å
113	L	94.6	Very high	89.2	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.7	-50.3	175.1	175.4	60.6	0	0	0	111.1	E43 M46 V47 L62 S109 L110 S115 R116 L117	E43-L113 HydrophobicContact CB-CD1 4.35Å; E43-L113 HydrophobicContact CG-CD1 4.4Å; E43-L113 HydrophobicContact CG-CD2 4.49Å; M46-L113 HydrophobicContact CB-CD1 4.31Å; M46-L113 HydrophobicContact CE-CD2 4.13Å; M46-L113 HydrophobicContact SD-CD2 4.03Å; V47-L113 HydrophobicContact CG2-CD1 3.79Å; L62-L113 HydrophobicContact CD2-CD2 3.69Å; S109-L113 PolarHBondContact O-N 3.11Å; L110-L113 PolarHBondContact O-N 3.47Å; L113-S115 VanDerWaalsContact C-N 3.34Å; L113-S115 PolarHBondContact O-N 2.92Å; L113-R116 PolarHBondContact O-N 3.25Å; L113-L117 HydrophobicContact CD1-CD1 4.21Å; L113-L117 HydrophobicContact CD1-CG 4.22Å; L113-L117 HydrophobicContact CG-CD1 4.08Å; L113-L117 WeakPolarHBondContact O-CG 3.18Å; L113-L117 PolarHBondContact O-N 2.95Å
114	M	93.2	Very high	87.9	Confident	11 Å²	11	48.3 Å²	48.3	5%	0.054	26%	0.257	C	S	.	.	H	α-helix	trans	-55.9	-49.2	176.8	-174.9	176.3	63.1	0	0	110.9	L110 S112 R116 L117 I118 F129 I156 C159 L160	L110-M114 VanDerWaalsContact O-CB 3.26Å; L110-M114 WeakPolarHBondContact O-CB 3.01Å; L110-M114 PolarHBondContact O-N 3.07Å; S112-M114 PolarHBondContact O-N 2.76Å; M114-R116 VanDerWaalsContact C-N 3.32Å; M114-R116 PolarHBondContact O-N 2.89Å; M114-L117 WeakPolarHBondContact O-CB 3.17Å; M114-L117 PolarHBondContact O-N 2.78Å; M114-I118 HydrophobicContact CG-CD1 4.04Å; M114-I118 VanDerWaalsContact O-CG1 3.25Å; M114-I118 WeakPolarHBondContact O-CG1 3.49Å; M114-I118 PolarHBondContact O-N 3.26Å; M114-F129 HydrophobicContact CE-CE2 4.39Å; M114-F129 HydrophobicContact CE-CZ 4.14Å; M114-F129 HydrophobicContact SD-CZ 3.89Å; M114-I156 HydrophobicContact CG-CD1 3.9Å; M114-I156 HydrophobicContact CG-CG2 4.31Å; M114-I156 HydrophobicContact SD-CG2 4.26Å; M114-C159 HydrophobicContact CB-CB 3.9Å; M114-C159 HydrophobicContact CG-CB 4.3Å; M114-C159 HydrophobicContact SD-CB 4.3Å; M114-L160 HydrophobicContact CE-CD2 4.31Å; M114-L160 HydrophobicContact SD-CD2 3.78Å; M114-L160 HydrophobicContact SD-CG 3.9Å
115	S	89.5	Confident	86.5	Confident	67 Å²	67	47.2 Å²	47.2	47%	0.469	26%	0.259	S	S	.	.	H	α-helix	trans	-60.8	-39.5	179.3	-58	0	0	0	0	112.5	N111 S112 L113 I118 Y119	N111-S115 WeakPolarHBondContact O-CB 3.37Å; N111-S115 PolarHBondContact O-N 3.48Å; N111-S115 PolarHBondContact O-OG 3.27Å; S112-S115 PolarHBondContact O-N 3.48Å; L113-S115 VanDerWaalsContact C-N 3.34Å; L113-S115 PolarHBondContact O-N 2.92Å; S115-I118 PolarHBondContact O-N 2.87Å; S115-Y119 VanDerWaalsContact O-CB 3.28Å; S115-Y119 WeakPolarHBondContact O-CB 3.42Å; S115-Y119 PolarHBondContact O-N 3.43Å
116	R	93	Very high	85.2	Confident	75 Å²	75	46.1 Å²	46.1	28%	0.283	25%	0.254	S	S	.	.	H	α-helix	trans	-66.7	-40.3	175.9	-70.6	166.3	63.4	-166.9	1	112.1	E43 N44 V47 S112 L113 M114 K120	E43-R116 IonicContact OE2-NH1 3.97Å; N44-R116 PolarHBondContact OD1-NH2 3.3Å; V47-R116 HydrophobicContact CG1-CB 4.47Å; V47-R116 HydrophobicContact CG2-CB 3.87Å; S112-R116 WeakPolarHBondContact O-CB 3.23Å; S112-R116 VanDerWaalsContact O-CG 3.26Å; S112-R116 WeakPolarHBondContact O-CG 3.24Å; S112-R116 PolarHBondContact O-N 3.28Å; L113-R116 PolarHBondContact O-N 3.25Å; M114-R116 VanDerWaalsContact C-N 3.32Å; M114-R116 PolarHBondContact O-N 2.89Å; R116-K120 VanDerWaalsContact O-CB 3.26Å; R116-K120 WeakPolarHBondContact O-CB 2.99Å; R116-K120 PolarHBondContact O-N 3.43Å
117	L	91.1	Very high	83.7	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-45.7	174.5	-70.3	169.3	0	0	0	111.1	V47 L50 L113 M114 K120 Y121 A155 I156	V47-L117 HydrophobicContact CG2-CD2 4.21Å; V47-L117 HydrophobicContact CG2-CG 4.44Å; L50-L117 HydrophobicContact CD1-CD2 4.17Å; L113-L117 HydrophobicContact CD1-CD1 4.21Å; L113-L117 HydrophobicContact CD1-CG 4.22Å; L113-L117 HydrophobicContact CG-CD1 4.08Å; L113-L117 WeakPolarHBondContact O-CG 3.18Å; L113-L117 PolarHBondContact O-N 2.95Å; M114-L117 WeakPolarHBondContact O-CB 3.17Å; M114-L117 PolarHBondContact O-N 2.78Å; L117-K120 PolarHBondContact O-N 3.44Å; L117-Y121 HydrophobicContact CD2-CD2 4.13Å; L117-Y121 HydrophobicContact CD2-CE2 3.94Å; L117-Y121 WeakPolarHBondContact O-CB 3.45Å; L117-Y121 PolarHBondContact O-N 2.77Å; L117-A155 HydrophobicContact CD1-CB 3.88Å; L117-I156 HydrophobicContact CB-CD1 3.9Å; L117-I156 HydrophobicContact CD1-CD1 4.45Å
118	I	87.2	Confident	82.3	Confident	33 Å²	33	53.8 Å²	53.8	17%	0.169	28%	0.28	C	S	.	.	H	α-helix	trans	-61.1	-53.4	176.5	-62.5	174.2	0	0	0	109.8	M114 S115 K120 Y121 N122 I128 F129 I156	M114-I118 HydrophobicContact CG-CD1 4.04Å; M114-I118 VanDerWaalsContact O-CG1 3.25Å; M114-I118 WeakPolarHBondContact O-CG1 3.49Å; M114-I118 PolarHBondContact O-N 3.26Å; S115-I118 PolarHBondContact O-N 2.87Å; I118-K120 PolarHBondContact O-N 2.78Å; I118-Y121 PolarHBondContact O-N 3.25Å; I118-N122 HydrophobicContact CG2-CB 4Å; I118-N122 WeakPolarHBondContact O-CB 3.23Å; I118-N122 PolarHBondContact O-N 2.83Å; I118-I128 HydrophobicContact CB-CD1 4.46Å; I118-I128 HydrophobicContact CD1-CD1 3.56Å; I118-I128 HydrophobicContact CD1-CG1 4.24Å; I118-I128 HydrophobicContact CG1-CD1 3.53Å; I118-I128 HydrophobicContact CG2-CD1 4.18Å; I118-F129 HydrophobicContact CD1-CE2 4.34Å; I118-I156 HydrophobicContact CD1-CD1 4.26Å; I118-I156 HydrophobicContact CG1-CD1 3.55Å
119	Y	86.4	Confident	80.9	Confident	206 Å²	206	55.8 Å²	55.8	81%	0.808	28%	0.278	S	S	*	.	H	α-helix	trans	-55.8	-40	-179.1	178.3	-97.9	0	0	0	112.3	S115	S115-Y119 VanDerWaalsContact O-CB 3.28Å; S115-Y119 WeakPolarHBondContact O-CB 3.42Å; S115-Y119 PolarHBondContact O-N 3.43Å
120	K	89	Confident	79.1	Confident	71 Å²	71	60.1 Å²	60.1	31%	0.309	30%	0.3	S	S	.	.	H	α-helix	trans	-80	-37.7	-176.5	-174.3	166.4	178.1	174	0	114	V47 N48 R116 L117 I118 I144	V47-K120 HydrophobicContact CG1-CD 3.69Å; V47-K120 WeakPolarHBondContact O-CD 3.43Å; V47-K120 WeakPolarHBondContact O-CE 3.41Å; V47-K120 PolarHBondContact O-NZ 3.19Å; N48-K120 PolarHBondContact OD1-NZ 3.32Å; R116-K120 VanDerWaalsContact O-CB 3.26Å; R116-K120 WeakPolarHBondContact O-CB 2.99Å; R116-K120 PolarHBondContact O-N 3.43Å; L117-K120 PolarHBondContact O-N 3.44Å; I118-K120 PolarHBondContact O-N 2.78Å; K120-I144 WeakPolarHBondContact O-CD1 3.39Å
121	Y	86.2	Confident	77	Confident	14 Å²	14	61.7 Å²	61.7	6%	0.055	31%	0.31	C	S	.	.	H	α-helix	trans	-111.2	-14.9	-168.5	-64.3	-57.8	0	0	0	114.4	V47 L50 L117 I118 A123 P143 I144 I147 Y152	V47-Y121 PolarHBondContact O-OH 3.15Å; L50-Y121 HydrophobicContact CB-CE2 3.82Å; L50-Y121 HydrophobicContact CD2-CD2 4.27Å; L50-Y121 HydrophobicContact CD2-CE2 4.09Å; L50-Y121 PolarHBondContact N-OH 2.96Å; L117-Y121 HydrophobicContact CD2-CD2 4.13Å; L117-Y121 HydrophobicContact CD2-CE2 3.94Å; L117-Y121 WeakPolarHBondContact O-CB 3.45Å; L117-Y121 PolarHBondContact O-N 2.77Å; I118-Y121 PolarHBondContact O-N 3.25Å; Y121-A123 PolarHBondContact O-N 2.87Å; Y121-A123 VanDerWaalsContact O-N 3.1Å; Y121-P143 CarbonylContact O-C 3.49Å; Y121-P143 WeakPolarHBondContact O-CA 3.42Å; Y121-I144 PolarHBondContact O-N 3.28Å; Y121-I147 HydrophobicContact CD1-CB 4.47Å; Y121-I147 HydrophobicContact CD1-CD1 4.31Å; Y121-I147 HydrophobicContact CD1-CG1 3.62Å; Y121-I147 HydrophobicContact CE1-CD1 3.67Å; Y121-I147 HydrophobicContact CE1-CG1 3.46Å; Y121-I147 VanDerWaalsContact CE1-CG1 3.46Å; Y121-Y152 HydrophobicContact CD2-CD2 4.33Å; Y121-Y152 HydrophobicContact CG-CD2 4.35Å
122	N	80.6	Confident	74.9	Confident	16 Å²	16	63.1 Å²	63.1	9%	0.086	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-78.3	93.9	178.2	-173.5	-1.3	0	0	0	110.8	I118 R124 G125 E126	I118-N122 HydrophobicContact CG2-CB 4Å; I118-N122 WeakPolarHBondContact O-CB 3.23Å; I118-N122 PolarHBondContact O-N 2.83Å; N122-R124 PolarHBondContact O-N 3.39Å; N122-R124 VanDerWaalsContact O-N 3.13Å; N122-G125 PolarHBondContact O-N 2.82Å; N122-G125 PolarHBondContact OD1-N 2.74Å; N122-E126 PolarHBondContact ND2-N 2.78Å; N122-E126 VanDerWaalsContact ND2-N 3.14Å; N122-E126 PolarHBondContact ND2-O 3.46Å; N122-E126 PolarHBondContact OD1-N 2.79Å
123	A	63.4	Low	73	Confident	59 Å²	59	63 Å²	63	49%	0.488	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.1	-172.6	0	0	0	0	0	113.6	Y121 E142 I144	Y121-A123 PolarHBondContact O-N 2.87Å; Y121-A123 VanDerWaalsContact O-N 3.1Å; A123-E142 VanDerWaalsContact CB-O 3.32Å; A123-E142 WeakPolarHBondContact CB-O 3.44Å; A123-E142 PolarHBondContact N-O 2.79Å; A123-I144 HydrophobicContact CB-CG1 3.98Å
124	R	61.7	Low	70.9	Confident	132 Å²	132	63.8 Å²	63.8	50%	0.498	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	0.4	-172.1	-64.4	179.6	-178.4	-170.3	6.1	114	N122 E126 E142	N122-R124 PolarHBondContact O-N 3.39Å; N122-R124 VanDerWaalsContact O-N 3.13Å; R124-E126 HydrophobicContact CB-CG 3.75Å; R124-E126 WeakPolarHBondContact CB-OE1 3.43Å; R124-E126 WeakPolarHBondContact CD-OE1 3.35Å; R124-E126 IonicContact NH1-OE1 2.7Å; R124-E126 PolarHBondContact O-N 3.46Å; R124-E142 IonicContact CZ-OE2 3.55Å; R124-E142 IonicContact NE-OE2 3.49Å; R124-E142 IonicContact NH2-OE2 3.55Å; R124-E142 PolarHBondContact NH2-OE2 3.34Å
125	G	59	Low	68.7	Low	59 Å²	59	63.6 Å²	63.6	61%	0.608	32%	0.319	S	S	*	.			trans	63	21.2	-177.5	0	0	0	0	0	113.6	N122	N122-G125 PolarHBondContact O-N 2.82Å; N122-G125 PolarHBondContact OD1-N 2.74Å
126	E	61.5	Low	66.8	Low	44 Å²	44	62 Å²	62	21%	0.206	30%	0.304	C	S	.	.			trans	-68	143.2	-174.2	-73.8	169.6	-167.9	0	0	111.9	N122 R124 I128 D140 I141	N122-E126 PolarHBondContact ND2-N 2.78Å; N122-E126 VanDerWaalsContact ND2-N 3.14Å; N122-E126 PolarHBondContact ND2-O 3.46Å; N122-E126 PolarHBondContact OD1-N 2.79Å; R124-E126 HydrophobicContact CB-CG 3.75Å; R124-E126 WeakPolarHBondContact CB-OE1 3.43Å; R124-E126 WeakPolarHBondContact CD-OE1 3.35Å; R124-E126 IonicContact NH1-OE1 2.7Å; R124-E126 PolarHBondContact O-N 3.46Å; E126-I128 PolarHBondContact O-N 2.91Å; E126-I128 VanDerWaalsContact O-N 3.11Å; E126-D140 VanDerWaalsContact CD-CB 3.43Å; E126-D140 WeakPolarHBondContact OE1-CB 3.19Å; E126-D140 VanDerWaalsContact OE2-CB 3.27Å; E126-D140 WeakPolarHBondContact OE2-CB 3.5Å; E126-I141 HydrophobicContact CB-CG1 4.18Å; E126-I141 WeakPolarHBondContact OE2-CA 3.33Å; E126-I141 VanDerWaalsContact OE2-CG1 3.32Å; E126-I141 WeakPolarHBondContact OE2-CG1 3.26Å; E126-I141 PolarHBondContact OE2-N 3.49Å
127	R	61.5	Low	64.8	Low	180 Å²	180	59.3 Å²	59.3	68%	0.679	30%	0.3	S	S	*	.			trans	-76.3	103.3	176.2	-69.2	-178.2	-178	-165.7	6.5	109.2	F129 N130	R127-F129 PolarHBondContact O-N 2.99Å; R127-F129 VanDerWaalsContact O-N 3.11Å; R127-N130 HydrophobicContact CB-CB 3.75Å; R127-N130 WeakPolarHBondContact CD-ND2 3.36Å; R127-N130 PolarHBondContact O-N 2.85Å
128	I	63.5	Low	62.9	Low	4 Å²	4	60 Å²	60	2%	0.021	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-31.3	175.9	-45.3	-161.1	0	0	0	112	I118 E126 I141 Y152 I156 V186	I118-I128 HydrophobicContact CB-CD1 4.46Å; I118-I128 HydrophobicContact CD1-CD1 3.56Å; I118-I128 HydrophobicContact CD1-CG1 4.24Å; I118-I128 HydrophobicContact CG1-CD1 3.53Å; I118-I128 HydrophobicContact CG2-CD1 4.18Å; E126-I128 PolarHBondContact O-N 2.91Å; E126-I128 VanDerWaalsContact O-N 3.11Å; I128-I141 HydrophobicContact CB-CD1 4.14Å; I128-I141 HydrophobicContact CD1-CD1 4.03Å; I128-I141 HydrophobicContact CG1-CD1 3.64Å; I128-I141 HydrophobicContact CG2-CD1 4.12Å; I128-Y152 VanDerWaalsContact CD1-OH 3.26Å; I128-Y152 WeakPolarHBondContact CD1-OH 3.5Å; I128-I156 HydrophobicContact CD1-CG1 4.43Å; I128-I156 HydrophobicContact CD1-CG2 4.43Å; I128-V186 HydrophobicContact CG2-CG2 3.87Å
129	F	63.9	Low	61.1	Low	81 Å²	81	60.7 Å²	60.7	36%	0.355	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	13.8	-170.6	-53.5	-62.9	0	0	0	114.8	M114 I118 R127 L160	M114-F129 HydrophobicContact CE-CE2 4.39Å; M114-F129 HydrophobicContact CE-CZ 4.14Å; M114-F129 HydrophobicContact SD-CZ 3.89Å; I118-F129 HydrophobicContact CD1-CE2 4.34Å; R127-F129 PolarHBondContact O-N 2.99Å; R127-F129 VanDerWaalsContact O-N 3.11Å; F129-L160 HydrophobicContact CE1-CD1 3.85Å; F129-L160 HydrophobicContact CE1-CD2 3.91Å; F129-L160 HydrophobicContact CE1-CG 4.47Å; F129-L160 HydrophobicContact CZ-CD1 4.35Å; F129-L160 HydrophobicContact CZ-CD2 4.07Å
130	N	55.6	Low	59.4	Low	104 Å²	104	55.4 Å²	55.4	56%	0.556	30%	0.298	S	S	*	.			trans	-101.1	10.4	-179.4	-94.8	31	0	0	0	113.9	R127	R127-N130 HydrophobicContact CB-CB 3.75Å; R127-N130 WeakPolarHBondContact CD-ND2 3.36Å; R127-N130 PolarHBondContact O-N 2.85Å
131	T	51.3	Low	58	Low	33 Å²	33	52 Å²	52	20%	0.202	28%	0.283	C	S	.	.			trans	-78.1	124.7	-179.3	56.3	0	0	0	0	109.8	Y133 M136 P138	T131-Y133 PolarHBondContact O-N 3.5Å; T131-M136 WeakPolarHBondContact CB-O 3.48Å; T131-M136 WeakPolarHBondContact CG2-O 3.11Å; T131-M136 PolarHBondContact OG1-O 2.95Å; T131-P138 HydrophobicContact CG2-CB 4.07Å; T131-P138 HydrophobicContact CG2-CG 4.44Å
132	P	48.2	Very low	56.7	Low	78 Å²	78	56.1 Å²	56.1	51%	0.506	30%	0.303	S	S	.	.	S	Bend	trans	-66.7	-20	-175	21.4	-29.2	0	0	0	113.6
133	Y	52.3	Low	56	Low	56 Å²	56	56.4 Å²	56.4	22%	0.22	31%	0.305	C	S	.	.	S	Bend	trans	-129.6	143	-172.1	-51.8	-68.4	0	0	0	112.6	T131 M136 F710	T131-Y133 PolarHBondContact O-N 3.5Å; Y133-M136 HydrophobicContact CD2-CE 4Å; Y133-M136 HydrophobicContact CD2-CG 4.49Å; Y133-M136 HydrophobicContact CD2-SD 3.73Å; Y133-M136 PolarHBondContact O-N 2.71Å; Y133-F710 AromaticContact CD1-CD1 3.91Å; Y133-F710 HydrophobicContact CD1-CD1 3.91Å; Y133-F710 HydrophobicContact CD1-CE1 4.35Å; Y133-F710 HydrophobicContact CD1-CG 4.39Å
134	V	51.2	Low	56.5	Low	17 Å²	17	57.5 Å²	57.5	10%	0.103	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	134	169.6	179.8	0	0	0	0	108.9	M136 L184 L415	V134-M136 VanDerWaalsContact C-N 3.27Å; V134-M136 PolarHBondContact O-N 2.72Å; V134-L184 HydrophobicContact CG1-CB 3.66Å; V134-L415 HydrophobicContact CB-CD1 4.04Å; V134-L415 HydrophobicContact CG1-CD1 3.76Å
135	G	46.3	Very low	56.9	Low	7 Å²	7	61.4 Å²	61.4	7%	0.072	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	-11.9	-175.6	0	0	0	0	0	114.9	G137	G135-G137 PolarHBondContact O-N 3.12Å; G135-G137 VanDerWaalsContact O-N 3.09Å
136	M	50.4	Low	57.8	Low	33 Å²	33	62.4 Å²	62.4	16%	0.163	33%	0.333	C	S	.	.			trans	-81.8	77	155.8	-76.4	-162.4	-175.4	0	0	107.7	T131 Y133 V134	T131-M136 WeakPolarHBondContact CB-O 3.48Å; T131-M136 WeakPolarHBondContact CG2-O 3.11Å; T131-M136 PolarHBondContact OG1-O 2.95Å; Y133-M136 HydrophobicContact CD2-CE 4Å; Y133-M136 HydrophobicContact CD2-CG 4.49Å; Y133-M136 HydrophobicContact CD2-SD 3.73Å; Y133-M136 PolarHBondContact O-N 2.71Å; V134-M136 VanDerWaalsContact C-N 3.27Å; V134-M136 PolarHBondContact O-N 2.72Å
137	G	51.5	Low	58.9	Low	19 Å²	19	61.9 Å²	61.9	20%	0.196	33%	0.331	C	S	.	.			trans	-54.1	141.1	158.4	0	0	0	0	0	107.9	G135 S139 S185	G135-G137 PolarHBondContact O-N 3.12Å; G135-G137 VanDerWaalsContact O-N 3.09Å; G137-S139 VanDerWaalsContact C-N 3.35Å; G137-S139 PolarHBondContact O-N 3.39Å; G137-S185 WeakPolarHBondContact CA-O 3.24Å; G137-S185 PolarHBondContact N-O 3.03Å
138	P	51.3	Low	60	Low	14 Å²	14	57 Å²	57	9%	0.091	31%	0.313	C	S	.	.			trans	-58.1	105.9	176.5	25.4	-33.6	0	0	0	107	T131 D140 I141 R149	T131-P138 HydrophobicContact CG2-CB 4.07Å; T131-P138 HydrophobicContact CG2-CG 4.44Å; P138-D140 PolarHBondContact O-N 3.13Å; P138-I141 HydrophobicContact CB-CD1 3.97Å; P138-I141 HydrophobicContact CB-CG1 3.77Å; P138-I141 HydrophobicContact CG-CB 4.31Å; P138-I141 HydrophobicContact CG-CD1 3.1Å; P138-I141 HydrophobicContact CG-CG1 3.42Å; P138-I141 VanDerWaalsContact CG-CG1 3.42Å; P138-I141 PolarHBondContact O-N 3.25Å; P138-I141 VanDerWaalsContact O-N 3.15Å; P138-R149 PolarHBondContact O-NH2 3.49Å
139	S	49.2	Very low	61	Low	48 Å²	48	60 Å²	60	34%	0.336	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.7	-175.5	-48.9	0	0	0	0	109.3	G137 R149 G434	G137-S139 VanDerWaalsContact C-N 3.35Å; G137-S139 PolarHBondContact O-N 3.39Å; S139-R149 PolarHBondContact O-NH1 2.84Å; S139-G434 VanDerWaalsContact OG-CA 3.3Å; S139-G434 WeakPolarHBondContact OG-CA 3.25Å
140	D	50.4	Low	62	Low	94 Å²	94	57 Å²	57	50%	0.503	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-8.3	-175.3	-52.3	-49.5	0	0	0	115.5	E126 P138 E142	E126-D140 VanDerWaalsContact CD-CB 3.43Å; E126-D140 WeakPolarHBondContact OE1-CB 3.19Å; E126-D140 VanDerWaalsContact OE2-CB 3.27Å; E126-D140 WeakPolarHBondContact OE2-CB 3.5Å; P138-D140 PolarHBondContact O-N 3.13Å; D140-E142 VanDerWaalsContact C-N 3.31Å; D140-E142 PolarHBondContact O-N 2.86Å
141	I	58.2	Low	63.7	Low	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.287	C	S	.	.			trans	-73	89.8	180	-61.4	178.3	0	0	0	110.7	E126 I128 P138 R149 Y152	E126-I141 HydrophobicContact CB-CG1 4.18Å; E126-I141 WeakPolarHBondContact OE2-CA 3.33Å; E126-I141 VanDerWaalsContact OE2-CG1 3.32Å; E126-I141 WeakPolarHBondContact OE2-CG1 3.26Å; E126-I141 PolarHBondContact OE2-N 3.49Å; I128-I141 HydrophobicContact CB-CD1 4.14Å; I128-I141 HydrophobicContact CD1-CD1 4.03Å; I128-I141 HydrophobicContact CG1-CD1 3.64Å; I128-I141 HydrophobicContact CG2-CD1 4.12Å; P138-I141 HydrophobicContact CB-CD1 3.97Å; P138-I141 HydrophobicContact CB-CG1 3.77Å; P138-I141 HydrophobicContact CG-CB 4.31Å; P138-I141 HydrophobicContact CG-CD1 3.1Å; P138-I141 HydrophobicContact CG-CG1 3.42Å; P138-I141 VanDerWaalsContact CG-CG1 3.42Å; P138-I141 PolarHBondContact O-N 3.25Å; P138-I141 VanDerWaalsContact O-N 3.15Å; I141-R149 VanDerWaalsContact C-NH1 3.3Å; I141-R149 PolarHBondContact O-NH1 3.48Å; I141-Y152 HydrophobicContact CG2-CD1 4.18Å; I141-Y152 HydrophobicContact CG2-CE1 3.56Å
142	E	60.5	Low	65.5	Low	101 Å²	101	50.6 Å²	50.6	47%	0.472	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-85.4	118.8	163.8	-68.8	-171.5	143.7	0	0	108.6	A123 R124 D140	A123-E142 VanDerWaalsContact CB-O 3.32Å; A123-E142 WeakPolarHBondContact CB-O 3.44Å; A123-E142 PolarHBondContact N-O 2.79Å; R124-E142 IonicContact CZ-OE2 3.55Å; R124-E142 IonicContact NE-OE2 3.49Å; R124-E142 IonicContact NH2-OE2 3.55Å; R124-E142 PolarHBondContact NH2-OE2 3.34Å; D140-E142 VanDerWaalsContact C-N 3.31Å; D140-E142 PolarHBondContact O-N 2.86Å
143	P	64.7	Low	67.4	Low	21 Å²	21	47.6 Å²	47.6	14%	0.136	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-62.8	159.5	167.1	32.1	-37.2	0	0	0	109.4	Y121 K145 I147 R149 Y152	Y121-P143 CarbonylContact O-C 3.49Å; Y121-P143 WeakPolarHBondContact O-CA 3.42Å; P143-K145 PolarHBondContact O-N 3.02Å; P143-I147 HydrophobicContact CB-CB 4.21Å; P143-I147 HydrophobicContact CB-CG2 4.22Å; P143-I147 WeakPolarHBondContact CG-O 3.47Å; P143-R149 HydrophobicContact CG-CB 4.15Å; P143-Y152 HydrophobicContact CB-CG 4.44Å
144	I	74.2	Confident	69.3	Low	82 Å²	82	47.5 Å²	47.5	42%	0.421	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-52.5	142.8	170.5	-60.1	-178.8	0	0	0	109.9	K120 Y121 A123 G146 I147	K120-I144 WeakPolarHBondContact O-CD1 3.39Å; Y121-I144 PolarHBondContact O-N 3.28Å; A123-I144 HydrophobicContact CB-CG1 3.98Å; I144-G146 PolarHBondContact O-N 3.31Å; I144-I147 PolarHBondContact O-N 3.43Å
145	K	70.9	Confident	71.3	Confident	214 Å²	214	46.7 Å²	46.7	93%	0.93	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.9	128.6	175.5	-72.2	-174.4	178.4	-179.3	0	110.8	P143	P143-K145 PolarHBondContact O-N 3.02Å
146	G	76.6	Confident	73.5	Confident	80 Å²	80	46.4 Å²	46.4	83%	0.825	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	105.8	-9.2	178.9	0	0	0	0	0	115.4	I144	I144-G146 PolarHBondContact O-N 3.31Å
147	I	84.6	Confident	75.5	Confident	33 Å²	33	45 Å²	45	17%	0.169	24%	0.242	C	C	.	.	S	Bend	trans	-109.9	134.5	173.5	-62.5	-65.7	0	0	0	110.2	L50 Y121 P143 I144 R149	L50-I147 HydrophobicContact CD2-CG2 4.34Å; Y121-I147 HydrophobicContact CD1-CB 4.47Å; Y121-I147 HydrophobicContact CD1-CD1 4.31Å; Y121-I147 HydrophobicContact CD1-CG1 3.62Å; Y121-I147 HydrophobicContact CE1-CD1 3.67Å; Y121-I147 HydrophobicContact CE1-CG1 3.46Å; Y121-I147 VanDerWaalsContact CE1-CG1 3.46Å; P143-I147 HydrophobicContact CB-CB 4.21Å; P143-I147 HydrophobicContact CB-CG2 4.22Å; P143-I147 WeakPolarHBondContact CG-O 3.47Å; I144-I147 PolarHBondContact O-N 3.43Å; I147-R149 PolarHBondContact O-N 2.85Å
148	R	85.2	Confident	77.6	Confident	78 Å²	78	44.6 Å²	44.6	29%	0.294	24%	0.235	S	C	.	.			trans	-67.4	131.3	173.4	-64.3	-171.2	-64.2	-97.9	1.9	109.6	S150 D151 Y152	R148-S150 PolarHBondContact O-N 3Å; R148-D151 HydrophobicContact CB-CB 4.19Å; R148-D151 IonicContact CZ-OD1 3.81Å; R148-D151 IonicContact CZ-OD2 2.86Å; R148-D151 VanDerWaalsContact NE-CG 3.34Å; R148-D151 IonicContact NE-OD1 3.41Å; R148-D151 PolarHBondContact NE-OD1 2.88Å; R148-D151 IonicContact NE-OD2 3.67Å; R148-D151 PolarHBondContact NE-OD2 3.02Å; R148-D151 VanDerWaalsContact NE-OD2 3.11Å; R148-D151 IonicContact NH1-OD2 3.62Å; R148-D151 IonicContact NH2-OD1 3.63Å; R148-D151 PolarHBondContact NH2-OD1 3.4Å; R148-D151 IonicContact NH2-OD2 2.67Å; R148-D151 PolarHBondContact NH2-OD2 3.31Å; R148-D151 WeakPolarHBondContact O-CB 3.48Å; R148-D151 PolarHBondContact O-N 3.23Å; R148-Y152 PolarHBondContact O-N 3.05Å; R148-Y152 VanDerWaalsContact O-N 3.16Å
149	R	83.6	Confident	79.8	Confident	68 Å²	68	44 Å²	44	26%	0.257	23%	0.23	S	C	.	.	H	α-helix	trans	-54.9	-39.6	175.4	-178.5	175.6	170.3	126.7	-1.4	111.9	P138 S139 I141 P143 I147 Y152 L153	P138-R149 PolarHBondContact O-NH2 3.49Å; S139-R149 PolarHBondContact O-NH1 2.84Å; I141-R149 VanDerWaalsContact C-NH1 3.3Å; I141-R149 PolarHBondContact O-NH1 3.48Å; P143-R149 HydrophobicContact CG-CB 4.15Å; I147-R149 PolarHBondContact O-N 2.85Å; R149-Y152 PolarHBondContact O-N 3.34Å; R149-L153 HydrophobicContact CG-CD1 3.83Å; R149-L153 HydrophobicContact CG-CG 4.19Å; R149-L153 WeakPolarHBondContact O-CB 3.13Å; R149-L153 VanDerWaalsContact O-CG 3.26Å; R149-L153 WeakPolarHBondContact O-CG 3.33Å; R149-L153 PolarHBondContact O-N 3.41Å
150	S	85.7	Confident	82	Confident	17 Å²	17	41.7 Å²	41.7	12%	0.119	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-48.1	177.1	52.1	0	0	0	0	113.4	R148 Y152 L153 Y154 Y190 G579	R148-S150 PolarHBondContact O-N 3Å; S150-Y152 VanDerWaalsContact C-N 3.33Å; S150-Y152 PolarHBondContact O-N 3.31Å; S150-L153 PolarHBondContact O-N 2.92Å; S150-Y154 VanDerWaalsContact O-CB 3.23Å; S150-Y154 WeakPolarHBondContact O-CB 3.43Å; S150-Y154 PolarHBondContact O-N 2.78Å; S150-Y190 PolarHBondContact O-OH 3.35Å; S150-G579 WeakPolarHBondContact CB-O 3.5Å; S150-G579 PolarHBondContact OG-O 3.13Å
151	D	90.6	Very high	84.2	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.011	19%	0.191	C	C	.	.	H	α-helix	trans	-58.1	-46.9	177.2	-70.8	0.6	0	0	0	111.1	L50 S51 L54 R148 Y154 A155	L50-D151 HydrophobicContact CD2-CB 4.36Å; S51-D151 WeakPolarHBondContact CA-OD2 3.46Å; S51-D151 WeakPolarHBondContact CB-OD2 2.82Å; S51-D151 PolarHBondContact OG-OD2 2.84Å; L54-D151 HydrophobicContact CD1-CB 3.6Å; R148-D151 HydrophobicContact CB-CB 4.19Å; R148-D151 IonicContact CZ-OD1 3.81Å; R148-D151 IonicContact CZ-OD2 2.86Å; R148-D151 VanDerWaalsContact NE-CG 3.34Å; R148-D151 IonicContact NE-OD1 3.41Å; R148-D151 PolarHBondContact NE-OD1 2.88Å; R148-D151 IonicContact NE-OD2 3.67Å; R148-D151 PolarHBondContact NE-OD2 3.02Å; R148-D151 VanDerWaalsContact NE-OD2 3.11Å; R148-D151 IonicContact NH1-OD2 3.62Å; R148-D151 IonicContact NH2-OD1 3.63Å; R148-D151 PolarHBondContact NH2-OD1 3.4Å; R148-D151 IonicContact NH2-OD2 2.67Å; R148-D151 PolarHBondContact NH2-OD2 3.31Å; R148-D151 WeakPolarHBondContact O-CB 3.48Å; R148-D151 PolarHBondContact O-N 3.23Å; D151-Y154 PolarHBondContact O-N 2.95Å; D151-A155 PolarHBondContact O-N 3.37Å
152	Y	89.8	Confident	86	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.2	-52.5	178.6	172.3	-105.6	0	0	0	111.9	Y121 I128 I141 P143 R148 R149 S150 Y154 A155 I156	Y121-Y152 HydrophobicContact CD2-CD2 4.33Å; Y121-Y152 HydrophobicContact CG-CD2 4.35Å; I128-Y152 VanDerWaalsContact CD1-OH 3.26Å; I128-Y152 WeakPolarHBondContact CD1-OH 3.5Å; I141-Y152 HydrophobicContact CG2-CD1 4.18Å; I141-Y152 HydrophobicContact CG2-CE1 3.56Å; P143-Y152 HydrophobicContact CB-CG 4.44Å; R148-Y152 PolarHBondContact O-N 3.05Å; R148-Y152 VanDerWaalsContact O-N 3.16Å; R149-Y152 PolarHBondContact O-N 3.34Å; S150-Y152 VanDerWaalsContact C-N 3.33Å; S150-Y152 PolarHBondContact O-N 3.31Å; Y152-Y154 VanDerWaalsContact C-N 3.32Å; Y152-Y154 PolarHBondContact O-N 3.38Å; Y152-A155 PolarHBondContact O-N 3.33Å; Y152-I156 HydrophobicContact CD2-CG1 4.5Å; Y152-I156 HydrophobicContact CE1-CG1 4.4Å; Y152-I156 HydrophobicContact CE2-CD1 4.19Å; Y152-I156 HydrophobicContact CE2-CG1 4.05Å; Y152-I156 WeakPolarHBondContact O-CG1 3.41Å; Y152-I156 PolarHBondContact O-N 2.95Å
153	L	88.1	Confident	87.7	Confident	16 Å²	16	32.8 Å²	32.8	8%	0.084	17%	0.17	C	C	.	.	H	α-helix	trans	-63.1	-38.9	179.7	-65.8	178.2	0	0	0	111.9	R149 S150 A155 I156 Q157 V186	R149-L153 HydrophobicContact CG-CD1 3.83Å; R149-L153 HydrophobicContact CG-CG 4.19Å; R149-L153 WeakPolarHBondContact O-CB 3.13Å; R149-L153 VanDerWaalsContact O-CG 3.26Å; R149-L153 WeakPolarHBondContact O-CG 3.33Å; R149-L153 PolarHBondContact O-N 3.41Å; S150-L153 PolarHBondContact O-N 2.92Å; L153-A155 PolarHBondContact O-N 2.86Å; L153-I156 PolarHBondContact O-N 3.3Å; L153-Q157 WeakPolarHBondContact O-CB 3.34Å; L153-Q157 PolarHBondContact O-N 3Å; L153-V186 HydrophobicContact CB-CG1 4.06Å; L153-V186 HydrophobicContact CD2-CG1 3.88Å; L153-V186 WeakPolarHBondContact O-CG1 3.2Å
154	Y	92.1	Very high	89.3	Confident	53 Å²	53	31.8 Å²	31.8	21%	0.208	16%	0.163	C	C	.	.	H	α-helix	trans	-57.9	-48	174.8	174.1	-107.6	0	0	0	111.6	L54 E59 S150 D151 Y152 I156 Q157 F158 Y190	L54-Y154 HydrophobicContact CD1-CD1 3.92Å; L54-Y154 HydrophobicContact CD2-CD1 3.72Å; L54-Y154 HydrophobicContact CD2-CE1 3.71Å; L54-Y154 HydrophobicContact CG-CD1 4.43Å; E59-Y154 HydrophobicContact CG-CE1 3.95Å; S150-Y154 VanDerWaalsContact O-CB 3.23Å; S150-Y154 WeakPolarHBondContact O-CB 3.43Å; S150-Y154 PolarHBondContact O-N 2.78Å; D151-Y154 PolarHBondContact O-N 2.95Å; Y152-Y154 VanDerWaalsContact C-N 3.32Å; Y152-Y154 PolarHBondContact O-N 3.38Å; Y154-I156 PolarHBondContact O-N 2.86Å; Y154-Q157 PolarHBondContact O-N 3.19Å; Y154-F158 VanDerWaalsContact O-CB 3.28Å; Y154-F158 WeakPolarHBondContact O-CB 3.37Å; Y154-F158 PolarHBondContact O-N 3.22Å; Y154-Y190 AromaticContact CD2-CD1 3.96Å; Y154-Y190 HydrophobicContact CD2-CD1 3.96Å; Y154-Y190 AromaticContact CD2-CE1 3.56Å; Y154-Y190 HydrophobicContact CD2-CE1 3.56Å; Y154-Y190 HydrophobicContact CE2-CD1 4.5Å; Y154-Y190 HydrophobicContact CE2-CE1 4.39Å; Y154-Y190 HydrophobicContact CG-CE1 4.3Å
155	A	93.4	Very high	90.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.8	-37.7	-177.4	0	0	0	0	0	112.9	L50 L117 D151 Y152 L153 C159	L50-A155 HydrophobicContact CD1-CB 3.79Å; L50-A155 HydrophobicContact CD2-CB 4.28Å; L117-A155 HydrophobicContact CD1-CB 3.88Å; D151-A155 PolarHBondContact O-N 3.37Å; Y152-A155 PolarHBondContact O-N 3.33Å; L153-A155 PolarHBondContact O-N 2.86Å; A155-C159 PolarHBondContact O-N 3.36Å; A155-C159 PolarHBondContact O-SG 2.9Å
156	I	92.5	Very high	91.4	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-64.9	-47.1	172.6	-60.6	-56.6	0	0	0	110.5	M114 L117 I118 I128 Y152 L153 Y154 F158 C159 L160 V186	M114-I156 HydrophobicContact CG-CD1 3.9Å; M114-I156 HydrophobicContact CG-CG2 4.31Å; M114-I156 HydrophobicContact SD-CG2 4.26Å; L117-I156 HydrophobicContact CB-CD1 3.9Å; L117-I156 HydrophobicContact CD1-CD1 4.45Å; I118-I156 HydrophobicContact CD1-CD1 4.26Å; I118-I156 HydrophobicContact CG1-CD1 3.55Å; I128-I156 HydrophobicContact CD1-CG1 4.43Å; I128-I156 HydrophobicContact CD1-CG2 4.43Å; Y152-I156 HydrophobicContact CD2-CG1 4.5Å; Y152-I156 HydrophobicContact CE1-CG1 4.4Å; Y152-I156 HydrophobicContact CE2-CD1 4.19Å; Y152-I156 HydrophobicContact CE2-CG1 4.05Å; Y152-I156 WeakPolarHBondContact O-CG1 3.41Å; Y152-I156 PolarHBondContact O-N 2.95Å; L153-I156 PolarHBondContact O-N 3.3Å; Y154-I156 PolarHBondContact O-N 2.86Å; I156-F158 VanDerWaalsContact C-N 3.33Å; I156-F158 PolarHBondContact O-N 3.33Å; I156-C159 PolarHBondContact O-N 3.09Å; I156-L160 HydrophobicContact CG2-CD1 4.12Å; I156-L160 WeakPolarHBondContact O-CG 3.34Å; I156-L160 PolarHBondContact O-N 3.37Å; I156-V186 HydrophobicContact CB-CG1 4.43Å; I156-V186 HydrophobicContact CG2-CG1 4.39Å; I156-V186 HydrophobicContact CG2-CG2 4.03Å
157	Q	93.1	Very high	92.3	Very high	5 Å²	5	15.2 Å²	15.2	2%	0.023	7%	0.067	C	C	.	.	H	α-helix	trans	-61.3	-42.1	178.8	-166.8	-172.9	74.7	0	0	112	L153 Y154 C159 L160 V161 A183 V186 S187 Y190 P193	L153-Q157 WeakPolarHBondContact O-CB 3.34Å; L153-Q157 PolarHBondContact O-N 3Å; Y154-Q157 PolarHBondContact O-N 3.19Å; Q157-C159 VanDerWaalsContact C-N 3.33Å; Q157-C159 PolarHBondContact O-N 2.98Å; Q157-L160 PolarHBondContact O-N 3.07Å; Q157-V161 HydrophobicContact CG-CG2 4.33Å; Q157-V161 WeakPolarHBondContact O-CG2 3.49Å; Q157-V161 PolarHBondContact O-N 2.95Å; Q157-A183 HydrophobicContact CG-CB 3.68Å; Q157-A183 WeakPolarHBondContact CG-O 3.41Å; Q157-A183 PolarHBondContact NE2-O 2.76Å; Q157-V186 HydrophobicContact CB-CG1 4.36Å; Q157-S187 PolarHBondContact NE2-O 2.91Å; Q157-Y190 VanDerWaalsContact OE1-CD2 3.22Å; Q157-P193 HydrophobicContact CG-CG 4.07Å
158	F	95.5	Very high	92.7	Very high	10 Å²	10	14.5 Å²	14.5	4%	0.044	6%	0.062	C	C	.	.	H	α-helix	trans	-54.3	-47.9	176	175.3	-88.3	0	0	0	111.6	E59 W63 Y154 I156 L160 V161 H162	E59-F158 HydrophobicContact CB-CD1 4.15Å; E59-F158 HydrophobicContact CB-CD2 4.24Å; E59-F158 HydrophobicContact CB-CE1 3.85Å; E59-F158 HydrophobicContact CB-CE2 3.94Å; E59-F158 HydrophobicContact CB-CG 4.34Å; E59-F158 HydrophobicContact CB-CZ 3.74Å; E59-F158 HydrophobicContact CG-CD2 3.88Å; E59-F158 HydrophobicContact CG-CE2 3.71Å; E59-F158 HydrophobicContact CG-CG 4.35Å; E59-F158 HydrophobicContact CG-CZ 4.06Å; E59-F158 WeakPolarHBondContact O-CZ 3.14Å; W63-F158 HydrophobicContact CB-CZ 3.79Å; Y154-F158 VanDerWaalsContact O-CB 3.28Å; Y154-F158 WeakPolarHBondContact O-CB 3.37Å; Y154-F158 PolarHBondContact O-N 3.22Å; I156-F158 VanDerWaalsContact C-N 3.33Å; I156-F158 PolarHBondContact O-N 3.33Å; F158-L160 PolarHBondContact O-N 2.83Å; F158-V161 PolarHBondContact O-N 3.17Å; F158-H162 AromaticContact CD1-CD2 3.97Å; F158-H162 AromaticContact CD2-CD2 3.69Å; F158-H162 AromaticContact CD2-NE2 3.7Å; F158-H162 AromaticContact CE1-CD2 3.63Å; F158-H162 AromaticContact CE2-CD2 3.34Å; F158-H162 WeakPolarHBondContact CE2-CD2 3.4Å; F158-H162 AromaticContact CE2-NE2 3.18Å; F158-H162 WeakPolarHBondContact CE2-NE2 3.29Å; F158-H162 AromaticContact CG-CD2 3.98Å; F158-H162 AromaticContact CZ-CD2 3.29Å; F158-H162 WeakPolarHBondContact CZ-CD2 3.27Å; F158-H162 AromaticContact CZ-NE2 3.54Å; F158-H162 PolarHBondContact O-CD2 3.46Å; F158-H162 PolarHBondContact O-N 3.5Å; F158-H162 VanDerWaalsContact O-N 3.12Å
159	C	96.3	Very high	92.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61.1	-46	177.5	-64	0	0	0	0	111.7	M114 A155 I156 Q157 H162 I163	M114-C159 HydrophobicContact CB-CB 3.9Å; M114-C159 HydrophobicContact CG-CB 4.3Å; M114-C159 HydrophobicContact SD-CB 4.3Å; A155-C159 PolarHBondContact O-N 3.36Å; A155-C159 PolarHBondContact O-SG 2.9Å; I156-C159 PolarHBondContact O-N 3.09Å; Q157-C159 VanDerWaalsContact C-N 3.33Å; Q157-C159 PolarHBondContact O-N 2.98Å; C159-H162 PolarHBondContact O-N 3.35Å; C159-I163 WeakPolarHBondContact O-CD1 3.5Å; C159-I163 VanDerWaalsContact O-CG1 3.25Å; C159-I163 WeakPolarHBondContact O-CG1 3.09Å; C159-I163 PolarHBondContact O-N 3.14Å
160	L	95.2	Very high	93.2	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-62	-46	-179.6	-68.2	165	0	0	0	112.2	M114 F129 I156 Q157 F158 H162 I163 G164 Y179 K182 A183 V186	M114-L160 HydrophobicContact CE-CD2 4.31Å; M114-L160 HydrophobicContact SD-CD2 3.78Å; M114-L160 HydrophobicContact SD-CG 3.9Å; F129-L160 HydrophobicContact CE1-CD1 3.85Å; F129-L160 HydrophobicContact CE1-CD2 3.91Å; F129-L160 HydrophobicContact CE1-CG 4.47Å; F129-L160 HydrophobicContact CZ-CD1 4.35Å; F129-L160 HydrophobicContact CZ-CD2 4.07Å; I156-L160 HydrophobicContact CG2-CD1 4.12Å; I156-L160 WeakPolarHBondContact O-CG 3.34Å; I156-L160 PolarHBondContact O-N 3.37Å; Q157-L160 PolarHBondContact O-N 3.07Å; F158-L160 PolarHBondContact O-N 2.83Å; L160-H162 PolarHBondContact O-N 2.87Å; L160-I163 PolarHBondContact O-N 3.01Å; L160-G164 PolarHBondContact O-N 3.33Å; L160-Y179 HydrophobicContact CD2-CD1 3.83Å; L160-Y179 HydrophobicContact CD2-CE1 4.14Å; L160-K182 HydrophobicContact CD1-CB 4.35Å; L160-K182 HydrophobicContact CD2-CB 4.32Å; L160-A183 HydrophobicContact CB-CB 3.96Å; L160-A183 HydrophobicContact CD1-CB 4.46Å; L160-V186 HydrophobicContact CD1-CG2 3.73Å
161	V	96.8	Very high	93.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.6	-46.6	178.9	175.6	0	0	0	0	110.5	Q157 F158 I163 G164 D165 Y180 A183 H192 P193 Q196	Q157-V161 HydrophobicContact CG-CG2 4.33Å; Q157-V161 WeakPolarHBondContact O-CG2 3.49Å; Q157-V161 PolarHBondContact O-N 2.95Å; F158-V161 PolarHBondContact O-N 3.17Å; V161-I163 PolarHBondContact O-N 3.5Å; V161-G164 CarbonylContact O-C 3.5Å; V161-G164 WeakPolarHBondContact O-CA 3.28Å; V161-G164 PolarHBondContact O-N 2.9Å; V161-G164 VanDerWaalsContact O-N 3.07Å; V161-D165 PolarHBondContact O-N 3.38Å; V161-Y180 HydrophobicContact CG1-CD1 4.32Å; V161-Y180 HydrophobicContact CG1-CE1 4.11Å; V161-Y180 WeakPolarHBondContact O-CE1 3.48Å; V161-A183 HydrophobicContact CG2-CB 3.77Å; V161-H192 WeakPolarHBondContact CG1-CE1 3Å; V161-P193 HydrophobicContact CG2-CB 4.13Å; V161-P193 HydrophobicContact CG2-CG 3.67Å; V161-Q196 HydrophobicContact CG1-CG 3.85Å
162	H	97.3	Very high	93.6	Very high	8 Å²	8	23.2 Å²	23.2	4%	0.037	10%	0.099	C	C	.	.	H	α-helix	trans	-74.5	-24.8	-177.7	-72.7	-46.7	0	0	0	114	W63 L110 F158 C159 L160 D165 V166 H192	W63-H162 AromaticContact CD1-CE1 3.59Å; W63-H162 AromaticContact CD1-NE2 3.91Å; W63-H162 HydrophobicContact CD2-CB 4.32Å; W63-H162 AromaticContact CD2-CE1 3.61Å; W63-H162 AromaticContact CD2-CG 3.68Å; W63-H162 AromaticContact CD2-ND1 3.42Å; W63-H162 AromaticContact CD2-NE2 4Å; W63-H162 AromaticContact CE2-CE1 3.48Å; W63-H162 VanDerWaalsContact CE2-CE1 3.48Å; W63-H162 AromaticContact CE2-ND1 3.3Å; W63-H162 VanDerWaalsContact CE2-ND1 3.3Å; W63-H162 HydrophobicContact CE3-CB 3.72Å; W63-H162 AromaticContact CE3-CG 3.59Å; W63-H162 AromaticContact CE3-ND1 3.72Å; W63-H162 AromaticContact CG-CE1 3.69Å; W63-H162 AromaticContact CG-ND1 4Å; W63-H162 AromaticContact CG-NE2 3.76Å; W63-H162 HydrophobicContact CH2-CB 4.23Å; W63-H162 AromaticContact CH2-ND1 3.82Å; W63-H162 AromaticContact CZ2-ND1 3.51Å; W63-H162 HydrophobicContact CZ3-CB 3.68Å; W63-H162 AromaticContact CZ3-CG 3.91Å; W63-H162 AromaticContact CZ3-ND1 3.91Å; W63-H162 AromaticContact NE1-CE1 3.42Å; W63-H162 PolarHBondContact NE1-CE1 2.79Å; W63-H162 AromaticContact NE1-ND1 3.76Å; L110-H162 HydrophobicContact CD1-CB 3.76Å; F158-H162 AromaticContact CD1-CD2 3.97Å; F158-H162 AromaticContact CD2-CD2 3.69Å; F158-H162 AromaticContact CD2-NE2 3.7Å; F158-H162 AromaticContact CE1-CD2 3.63Å; F158-H162 AromaticContact CE2-CD2 3.34Å; F158-H162 WeakPolarHBondContact CE2-CD2 3.4Å; F158-H162 AromaticContact CE2-NE2 3.18Å; F158-H162 WeakPolarHBondContact CE2-NE2 3.29Å; F158-H162 AromaticContact CG-CD2 3.98Å; F158-H162 AromaticContact CZ-CD2 3.29Å; F158-H162 WeakPolarHBondContact CZ-CD2 3.27Å; F158-H162 AromaticContact CZ-NE2 3.54Å; F158-H162 PolarHBondContact O-CD2 3.46Å; F158-H162 PolarHBondContact O-N 3.5Å; F158-H162 VanDerWaalsContact O-N 3.12Å; C159-H162 PolarHBondContact O-N 3.35Å; L160-H162 PolarHBondContact O-N 2.87Å; H162-D165 IonicContact CE1-OD2 3.86Å; H162-D165 PolarHBondContact CE1-OD2 3.07Å; H162-D165 IonicContact CG-OD2 3.17Å; H162-D165 IonicContact ND1-OD2 3.6Å; H162-D165 PolarHBondContact ND1-OD2 2.98Å; H162-D165 PolarHBondContact O-N 2.93Å; H162-V166 VanDerWaalsContact O-CG2 3.31Å; H162-V166 WeakPolarHBondContact O-CG2 3.25Å; H162-V166 PolarHBondContact O-N 3.46Å; H162-H192 AromaticContact CE1-CE1 3.68Å; H162-H192 AromaticContact NE2-CE1 3.99Å
163	I	96.6	Very high	93.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.7	-45.4	164.5	-68.5	161.5	0	0	0	109.9	V107 L110 N111 C159 L160 V161 D165 V166 L167 Y179	V107-I163 HydrophobicContact CG1-CG2 4.06Å; V107-I163 HydrophobicContact CG2-CG2 4.28Å; L110-I163 HydrophobicContact CB-CD1 3.98Å; L110-I163 HydrophobicContact CB-CG1 3.67Å; L110-I163 HydrophobicContact CD1-CG1 3.92Å; L110-I163 HydrophobicContact CG-CG1 4.47Å; N111-I163 VanDerWaalsContact OD1-CD1 3.23Å; N111-I163 WeakPolarHBondContact OD1-CD1 3.43Å; C159-I163 WeakPolarHBondContact O-CD1 3.5Å; C159-I163 VanDerWaalsContact O-CG1 3.25Å; C159-I163 WeakPolarHBondContact O-CG1 3.09Å; C159-I163 PolarHBondContact O-N 3.14Å; L160-I163 PolarHBondContact O-N 3.01Å; V161-I163 PolarHBondContact O-N 3.5Å; I163-D165 VanDerWaalsContact C-N 3.28Å; I163-D165 PolarHBondContact O-N 3.12Å; I163-V166 PolarHBondContact O-N 3.23Å; I163-L167 HydrophobicContact CG2-CD1 3.97Å; I163-L167 WeakPolarHBondContact O-CG 3.4Å; I163-L167 PolarHBondContact O-N 3.39Å; I163-Y179 HydrophobicContact CB-CD1 3.96Å; I163-Y179 HydrophobicContact CB-CE1 4.05Å; I163-Y179 HydrophobicContact CB-CG 4.42Å; I163-Y179 HydrophobicContact CD1-CD1 4.5Å; I163-Y179 HydrophobicContact CD1-CE1 4.03Å; I163-Y179 HydrophobicContact CG2-CD1 3.65Å; I163-Y179 HydrophobicContact CG2-CD2 3.96Å; I163-Y179 HydrophobicContact CG2-CE1 3.44Å; I163-Y179 VanDerWaalsContact CG2-CE1 3.44Å; I163-Y179 HydrophobicContact CG2-CE2 3.78Å; I163-Y179 HydrophobicContact CG2-CG 3.9Å
164	G	96.6	Very high	94.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.1	-38.3	174.2	0	0	0	0	0	112.9	L160 V161 L167 R168 A176 Y180	L160-G164 PolarHBondContact O-N 3.33Å; V161-G164 CarbonylContact O-C 3.5Å; V161-G164 WeakPolarHBondContact O-CA 3.28Å; V161-G164 PolarHBondContact O-N 2.9Å; V161-G164 VanDerWaalsContact O-N 3.07Å; G164-L167 PolarHBondContact O-N 2.94Å; G164-R168 WeakPolarHBondContact O-CB 3.35Å; G164-R168 PolarHBondContact O-N 3.45Å; G164-A176 WeakPolarHBondContact O-CB 3.33Å; G164-Y180 PolarHBondContact O-OH 3.2Å
165	D	95.7	Very high	94.2	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.027	14%	0.142	C	C	.	.	H	α-helix	trans	-62.8	-46.6	177.3	-71.9	-25.9	0	0	0	111.3	W63 V161 H162 I163 L167 R168 H169 Y180 Q196	W63-D165 HydrophobicContact CH2-CB 3.91Å; W63-D165 HydrophobicContact CZ2-CB 4.17Å; V161-D165 PolarHBondContact O-N 3.38Å; H162-D165 IonicContact CE1-OD2 3.86Å; H162-D165 PolarHBondContact CE1-OD2 3.07Å; H162-D165 IonicContact CG-OD2 3.17Å; H162-D165 IonicContact ND1-OD2 3.6Å; H162-D165 PolarHBondContact ND1-OD2 2.98Å; H162-D165 PolarHBondContact O-N 2.93Å; I163-D165 VanDerWaalsContact C-N 3.28Å; I163-D165 PolarHBondContact O-N 3.12Å; D165-L167 VanDerWaalsContact C-N 3.34Å; D165-L167 PolarHBondContact O-N 3.22Å; D165-R168 PolarHBondContact O-N 2.84Å; D165-R168 IonicContact OD1-CZ 3.56Å; D165-R168 IonicContact OD1-NH1 2.7Å; D165-R168 PolarHBondContact OD1-NH1 2.87Å; D165-R168 IonicContact OD1-NH2 3.83Å; D165-H169 WeakPolarHBondContact O-CB 3.45Å; D165-H169 PolarHBondContact O-CD2 3.38Å; D165-H169 VanDerWaalsContact O-CG 3.32Å; D165-H169 PolarHBondContact O-N 2.82Å; D165-Y180 WeakPolarHBondContact CA-OH 3.35Å; D165-Y180 PolarHBondContact N-OH 2.8Å; D165-Y180 VanDerWaalsContact N-OH 3.12Å; D165-Y180 PolarHBondContact OD1-OH 3.18Å; D165-Q196 PolarHBondContact OD1-NE2 2.67Å
166	V	94.8	Very high	94.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.4	-45.6	177.7	178.3	0	0	0	0	110.7	W63 L71 P103 I106 V107 H162 I163 H169 Q170	W63-V166 HydrophobicContact CH2-CG2 4.34Å; W63-V166 HydrophobicContact CZ3-CG2 4.29Å; L71-V166 HydrophobicContact CD1-CG2 3.95Å; P103-V166 HydrophobicContact CB-CG1 3.59Å; I106-V166 HydrophobicContact CB-CG2 4.28Å; I106-V166 HydrophobicContact CG2-CG2 3.67Å; V107-V166 HydrophobicContact CG2-CB 4.01Å; V107-V166 HydrophobicContact CG2-CG1 3.74Å; H162-V166 VanDerWaalsContact O-CG2 3.31Å; H162-V166 WeakPolarHBondContact O-CG2 3.25Å; H162-V166 PolarHBondContact O-N 3.46Å; I163-V166 PolarHBondContact O-N 3.23Å; V166-H169 PolarHBondContact O-N 3.15Å; V166-Q170 WeakPolarHBondContact O-CG 3.43Å; V166-Q170 PolarHBondContact O-N 2.67Å
167	L	94.3	Very high	94.4	Very high	22 Å²	22	34.2 Å²	34.2	12%	0.115	15%	0.152	C	C	.	.	H	α-helix	trans	-64.2	-41.7	177.9	-68.3	170.3	0	0	0	112.2	I163 G164 D165 H169 Q170 R171 F172 E175 A176 Y179	I163-L167 HydrophobicContact CG2-CD1 3.97Å; I163-L167 WeakPolarHBondContact O-CG 3.4Å; I163-L167 PolarHBondContact O-N 3.39Å; G164-L167 PolarHBondContact O-N 2.94Å; D165-L167 VanDerWaalsContact C-N 3.34Å; D165-L167 PolarHBondContact O-N 3.22Å; L167-H169 VanDerWaalsContact C-N 3.32Å; L167-H169 PolarHBondContact O-N 3.5Å; L167-Q170 CarbonylContact O-C 3.48Å; L167-Q170 WeakPolarHBondContact O-CA 3.46Å; L167-Q170 PolarHBondContact O-N 3.01Å; L167-Q170 VanDerWaalsContact O-N 3.1Å; L167-R171 PolarHBondContact O-N 3.24Å; L167-F172 HydrophobicContact CB-CB 4.23Å; L167-F172 HydrophobicContact CD2-CB 4.24Å; L167-F172 HydrophobicContact CD2-CD2 3.98Å; L167-F172 PolarHBondContact O-N 3.18Å; L167-E175 HydrophobicContact CD1-CB 3.98Å; L167-A176 HydrophobicContact CB-CB 4.02Å; L167-Y179 HydrophobicContact CD1-CD2 3.35Å; L167-Y179 HydrophobicContact CD1-CE2 3.49Å; L167-Y179 VanDerWaalsContact CD1-CE2 3.49Å; L167-Y179 HydrophobicContact CD1-CG 4.33Å
168	R	94.3	Very high	94.4	Very high	18 Å²	18	35.4 Å²	35.4	7%	0.068	16%	0.16	C	C	.	.	H	α-helix	trans	-58.3	-46.4	174.7	-177.6	-177.1	74	-115.1	1.3	110.5	G164 D165 Q170 R171 L173 A176 Y180 L200 E681	G164-R168 WeakPolarHBondContact O-CB 3.35Å; G164-R168 PolarHBondContact O-N 3.45Å; D165-R168 PolarHBondContact O-N 2.84Å; D165-R168 IonicContact OD1-CZ 3.56Å; D165-R168 IonicContact OD1-NH1 2.7Å; D165-R168 PolarHBondContact OD1-NH1 2.87Å; D165-R168 IonicContact OD1-NH2 3.83Å; R168-Q170 VanDerWaalsContact C-N 3.25Å; R168-Q170 PolarHBondContact O-N 3.44Å; R168-R171 WeakPolarHBondContact O-CA 3.46Å; R168-R171 PolarHBondContact O-N 3.13Å; R168-L173 HydrophobicContact CG-CD2 4.19Å; R168-A176 HydrophobicContact CB-CB 3.99Å; R168-Y180 PolarHBondContact NH1-OH 3.41Å; R168-L200 HydrophobicContact CG-CD2 3.84Å; R168-E681 IonicContact NH2-OE1 2.77Å; R168-E681 PolarHBondContact NH2-OE1 2.97Å
169	H	89.7	Confident	94.3	Very high	49 Å²	49	37.3 Å²	37.3	23%	0.227	17%	0.167	C	C	.	.	H	α-helix	trans	-65.1	-27.8	177.8	-71.9	-47.2	0	0	0	113.3	F75 D165 V166 L167 R171 E681	F75-H169 HydrophobicContact CE2-CB 3.8Å; F75-H169 HydrophobicContact CZ-CB 3.55Å; D165-H169 WeakPolarHBondContact O-CB 3.45Å; D165-H169 PolarHBondContact O-CD2 3.38Å; D165-H169 VanDerWaalsContact O-CG 3.32Å; D165-H169 PolarHBondContact O-N 2.82Å; V166-H169 PolarHBondContact O-N 3.15Å; L167-H169 VanDerWaalsContact C-N 3.32Å; L167-H169 PolarHBondContact O-N 3.5Å; H169-R171 VanDerWaalsContact C-N 3.26Å; H169-R171 PolarHBondContact O-N 3.49Å; H169-E681 IonicContact CE1-OE1 3.49Å
170	Q	89.7	Confident	94.2	Very high	55 Å²	55	37.3 Å²	37.3	26%	0.257	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	2.1	170.5	-68	-173.3	-67.1	0	0	114.3	P103 V166 L167 R168 F172	P103-Q170 HydrophobicContact CB-CG 3.96Å; P103-Q170 HydrophobicContact CG-CG 4.11Å; V166-Q170 WeakPolarHBondContact O-CG 3.43Å; V166-Q170 PolarHBondContact O-N 2.67Å; L167-Q170 CarbonylContact O-C 3.48Å; L167-Q170 WeakPolarHBondContact O-CA 3.46Å; L167-Q170 PolarHBondContact O-N 3.01Å; L167-Q170 VanDerWaalsContact O-N 3.1Å; R168-Q170 VanDerWaalsContact C-N 3.25Å; R168-Q170 PolarHBondContact O-N 3.44Å; Q170-F172 HydrophobicContact CB-CD2 3.44Å; Q170-F172 VanDerWaalsContact CB-CD2 3.44Å; Q170-F172 HydrophobicContact CB-CE2 3.63Å; Q170-F172 HydrophobicContact CB-CG 4.37Å; Q170-F172 HydrophobicContact CG-CD2 4.42Å; Q170-F172 HydrophobicContact CG-CE2 4.36Å; Q170-F172 PolarHBondContact O-N 3.25Å
171	R	91.1	Very high	94	Very high	149 Å²	149	39.2 Å²	39.2	56%	0.562	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.2	14.6	-175.1	-52.7	-63.2	-170.6	169.5	1.2	115	L167 R168 H169 L173	L167-R171 PolarHBondContact O-N 3.24Å; R168-R171 WeakPolarHBondContact O-CA 3.46Å; R168-R171 PolarHBondContact O-N 3.13Å; H169-R171 VanDerWaalsContact C-N 3.26Å; H169-R171 PolarHBondContact O-N 3.49Å; R171-L173 PolarHBondContact O-N 2.9Å
172	F	93.8	Very high	93.7	Very high	96 Å²	96	42 Å²	42	42%	0.421	19%	0.188	S	C	.	.			trans	-80.6	68.7	169	-59.9	-53.6	0	0	0	110	L167 Q170 E175 A176	L167-F172 HydrophobicContact CB-CB 4.23Å; L167-F172 HydrophobicContact CD2-CB 4.24Å; L167-F172 HydrophobicContact CD2-CD2 3.98Å; L167-F172 PolarHBondContact O-N 3.18Å; Q170-F172 HydrophobicContact CB-CD2 3.44Å; Q170-F172 VanDerWaalsContact CB-CD2 3.44Å; Q170-F172 HydrophobicContact CB-CE2 3.63Å; Q170-F172 HydrophobicContact CB-CG 4.37Å; Q170-F172 HydrophobicContact CG-CD2 4.42Å; Q170-F172 HydrophobicContact CG-CE2 4.36Å; Q170-F172 PolarHBondContact O-N 3.25Å; F172-E175 WeakPolarHBondContact CA-OE2 3.28Å; F172-E175 HydrophobicContact CB-CB 4.22Å; F172-E175 HydrophobicContact CB-CG 4.45Å; F172-E175 WeakPolarHBondContact CB-OE2 3.17Å; F172-A176 WeakPolarHBondContact O-CB 3.41Å; F172-A176 PolarHBondContact O-N 3.36Å
173	L	94.6	Very high	93.4	Very high	47 Å²	47	41.6 Å²	41.6	25%	0.246	19%	0.187	C	C	.	.	H	α-helix	trans	-68.2	-36.8	-168.7	-57.9	-176	0	0	0	113.1	R168 R171 A176 Q177 L200 V203	R168-L173 HydrophobicContact CG-CD2 4.19Å; R171-L173 PolarHBondContact O-N 2.9Å; L173-A176 PolarHBondContact O-N 2.76Å; L173-Q177 WeakPolarHBondContact O-CB 3.21Å; L173-Q177 PolarHBondContact O-N 3.34Å; L173-L200 HydrophobicContact CD2-CD2 3.92Å; L173-V203 HydrophobicContact CD1-CG1 3.94Å
174	K	93.7	Very high	93.1	Very high	114 Å²	114	41.6 Å²	41.6	50%	0.496	19%	0.187	S	C	.	.	H	α-helix	trans	-67.7	-42.3	179.3	-69.5	-176	177.6	-178.6	0	111	Q177 S178	K174-Q177 WeakPolarHBondContact O-CB 3.22Å; K174-Q177 PolarHBondContact O-N 3.41Å; K174-S178 PolarHBondContact O-N 3.22Å
175	E	93.6	Very high	92.5	Very high	95 Å²	95	42.1 Å²	42.1	44%	0.444	19%	0.191	S	C	.	.	H	α-helix	trans	-66.9	-44.4	176.7	-62.2	79.8	177.3	0	0	110.3	L167 F172 Q177 S178 Y179	L167-E175 HydrophobicContact CD1-CB 3.98Å; F172-E175 WeakPolarHBondContact CA-OE2 3.28Å; F172-E175 HydrophobicContact CB-CB 4.22Å; F172-E175 HydrophobicContact CB-CG 4.45Å; F172-E175 WeakPolarHBondContact CB-OE2 3.17Å; E175-Q177 VanDerWaalsContact C-N 3.33Å; E175-Q177 PolarHBondContact O-N 3.47Å; E175-S178 WeakPolarHBondContact O-CB 3.33Å; E175-S178 PolarHBondContact O-N 2.73Å; E175-S178 VanDerWaalsContact O-N 3.16Å; E175-Y179 WeakPolarHBondContact O-CD2 3.47Å; E175-Y179 PolarHBondContact O-N 3.48Å; E175-Y179 VanDerWaalsContact O-N 3.07Å
176	A	95.6	Very high	91.9	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-56.4	-46.8	174.2	0	0	0	0	0	111.8	G164 L167 R168 F172 L173 S178 Y179 Y180 L200	G164-A176 WeakPolarHBondContact O-CB 3.33Å; L167-A176 HydrophobicContact CB-CB 4.02Å; R168-A176 HydrophobicContact CB-CB 3.99Å; F172-A176 WeakPolarHBondContact O-CB 3.41Å; F172-A176 PolarHBondContact O-N 3.36Å; L173-A176 PolarHBondContact O-N 2.76Å; A176-S178 VanDerWaalsContact C-N 3.34Å; A176-S178 PolarHBondContact O-N 3.02Å; A176-Y179 PolarHBondContact O-N 2.8Å; A176-Y179 VanDerWaalsContact O-N 3.16Å; A176-Y180 HydrophobicContact CB-CE2 4Å; A176-Y180 WeakPolarHBondContact O-CD2 3.29Å; A176-Y180 WeakPolarHBondContact O-CE2 3.33Å; A176-Y180 PolarHBondContact O-N 3.04Å; A176-L200 HydrophobicContact CB-CD1 4.47Å
177	Q	94.8	Very high	91.5	Very high	45 Å²	45	42.7 Å²	42.7	21%	0.21	19%	0.194	C	C	.	.	H	α-helix	trans	-55.8	-48.4	175	-173.4	-176.3	-26.7	0	0	111.3	L173 K174 E175 Y179 Y180 E181 L197 L200	L173-Q177 WeakPolarHBondContact O-CB 3.21Å; L173-Q177 PolarHBondContact O-N 3.34Å; K174-Q177 WeakPolarHBondContact O-CB 3.22Å; K174-Q177 PolarHBondContact O-N 3.41Å; E175-Q177 VanDerWaalsContact C-N 3.33Å; E175-Q177 PolarHBondContact O-N 3.47Å; Q177-Y179 VanDerWaalsContact C-N 3.26Å; Q177-Y179 PolarHBondContact O-N 3.3Å; Q177-Y180 PolarHBondContact O-N 2.97Å; Q177-Y180 VanDerWaalsContact O-N 3.11Å; Q177-E181 HydrophobicContact CG-CG 4.42Å; Q177-E181 PolarHBondContact NE2-OE1 2.9Å; Q177-E181 WeakPolarHBondContact O-CG 3.35Å; Q177-E181 PolarHBondContact O-N 3.3Å; Q177-L197 HydrophobicContact CG-CD2 3.94Å; Q177-L200 HydrophobicContact CB-CD1 3.69Å; Q177-L200 HydrophobicContact CG-CD1 4.33Å
178	S	92.1	Very high	91.2	Very high	30 Å²	30	41.8 Å²	41.8	21%	0.21	19%	0.19	C	C	.	.	H	α-helix	trans	-57.8	-37.7	178.3	-176.6	0	0	0	0	112.5	K174 E175 A176 K182	K174-S178 PolarHBondContact O-N 3.22Å; E175-S178 WeakPolarHBondContact O-CB 3.33Å; E175-S178 PolarHBondContact O-N 2.73Å; E175-S178 VanDerWaalsContact O-N 3.16Å; A176-S178 VanDerWaalsContact C-N 3.34Å; A176-S178 PolarHBondContact O-N 3.02Å; S178-K182 WeakPolarHBondContact O-CB 3.39Å; S178-K182 VanDerWaalsContact O-CG 3.24Å; S178-K182 WeakPolarHBondContact O-CG 3.39Å; S178-K182 PolarHBondContact O-N 3.16Å
179	Y	93.4	Very high	91.1	Very high	49 Å²	49	43.9 Å²	43.9	19%	0.192	20%	0.2	C	C	.	.	H	α-helix	trans	-69.9	-38.5	175.9	-86.8	-83.1	0	0	0	113.2	L160 I163 L167 E175 A176 Q177 K182 A183	L160-Y179 HydrophobicContact CD2-CD1 3.83Å; L160-Y179 HydrophobicContact CD2-CE1 4.14Å; I163-Y179 HydrophobicContact CB-CD1 3.96Å; I163-Y179 HydrophobicContact CB-CE1 4.05Å; I163-Y179 HydrophobicContact CB-CG 4.42Å; I163-Y179 HydrophobicContact CD1-CD1 4.5Å; I163-Y179 HydrophobicContact CD1-CE1 4.03Å; I163-Y179 HydrophobicContact CG2-CD1 3.65Å; I163-Y179 HydrophobicContact CG2-CD2 3.96Å; I163-Y179 HydrophobicContact CG2-CE1 3.44Å; I163-Y179 VanDerWaalsContact CG2-CE1 3.44Å; I163-Y179 HydrophobicContact CG2-CE2 3.78Å; I163-Y179 HydrophobicContact CG2-CG 3.9Å; L167-Y179 HydrophobicContact CD1-CD2 3.35Å; L167-Y179 HydrophobicContact CD1-CE2 3.49Å; L167-Y179 VanDerWaalsContact CD1-CE2 3.49Å; L167-Y179 HydrophobicContact CD1-CG 4.33Å; E175-Y179 WeakPolarHBondContact O-CD2 3.47Å; E175-Y179 PolarHBondContact O-N 3.48Å; E175-Y179 VanDerWaalsContact O-N 3.07Å; A176-Y179 PolarHBondContact O-N 2.8Å; A176-Y179 VanDerWaalsContact O-N 3.16Å; Q177-Y179 VanDerWaalsContact C-N 3.26Å; Q177-Y179 PolarHBondContact O-N 3.3Å; Y179-K182 PolarHBondContact O-N 2.93Å; Y179-A183 WeakPolarHBondContact O-CB 3.49Å; Y179-A183 PolarHBondContact O-N 3.15Å
180	Y	95.4	Very high	91.3	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.1	-36.9	173.9	-55.6	-47.7	0	0	0	112.3	V161 G164 D165 R168 A176 Q177 A183 L184 Q196 L197 L200	V161-Y180 HydrophobicContact CG1-CD1 4.32Å; V161-Y180 HydrophobicContact CG1-CE1 4.11Å; V161-Y180 WeakPolarHBondContact O-CE1 3.48Å; G164-Y180 PolarHBondContact O-OH 3.2Å; D165-Y180 WeakPolarHBondContact CA-OH 3.35Å; D165-Y180 PolarHBondContact N-OH 2.8Å; D165-Y180 VanDerWaalsContact N-OH 3.12Å; D165-Y180 PolarHBondContact OD1-OH 3.18Å; R168-Y180 PolarHBondContact NH1-OH 3.41Å; A176-Y180 HydrophobicContact CB-CE2 4Å; A176-Y180 WeakPolarHBondContact O-CD2 3.29Å; A176-Y180 WeakPolarHBondContact O-CE2 3.33Å; A176-Y180 PolarHBondContact O-N 3.04Å; Q177-Y180 PolarHBondContact O-N 2.97Å; Q177-Y180 VanDerWaalsContact O-N 3.11Å; Y180-A183 VanDerWaalsContact O-CB 3.32Å; Y180-A183 WeakPolarHBondContact O-CB 3.21Å; Y180-A183 PolarHBondContact O-N 3.25Å; Y180-L184 WeakPolarHBondContact O-CG 3.39Å; Y180-L184 PolarHBondContact O-N 2.94Å; Y180-Q196 HydrophobicContact CD1-CB 3.65Å; Y180-Q196 HydrophobicContact CD1-CG 4.07Å; Y180-Q196 HydrophobicContact CD2-CB 3.93Å; Y180-Q196 HydrophobicContact CE1-CB 3.39Å; Y180-Q196 HydrophobicContact CE1-CG 3.63Å; Y180-Q196 HydrophobicContact CE2-CB 3.71Å; Y180-Q196 HydrophobicContact CG-CB 3.94Å; Y180-Q196 VanDerWaalsContact CZ-CB 3.45Å; Y180-L197 HydrophobicContact CD2-CD2 4.17Å; Y180-L197 HydrophobicContact CD2-CG 4.47Å; Y180-L197 HydrophobicContact CG-CD2 4.48Å; Y180-L200 HydrophobicContact CD2-CD1 3.77Å; Y180-L200 HydrophobicContact CD2-CG 4.45Å; Y180-L200 HydrophobicContact CE2-CD1 3.73Å; Y180-L200 HydrophobicContact CE2-CG 4.09Å
181	E	90.8	Very high	91.5	Very high	41 Å²	41	39.5 Å²	39.5	19%	0.192	18%	0.18	C	C	.	.	H	α-helix	trans	-65.6	-40.9	174.3	-72	172.8	172.4	0	0	111.7	Q177 A183 L184 S185	Q177-E181 HydrophobicContact CG-CG 4.42Å; Q177-E181 PolarHBondContact NE2-OE1 2.9Å; Q177-E181 WeakPolarHBondContact O-CG 3.35Å; Q177-E181 PolarHBondContact O-N 3.3Å; E181-A183 VanDerWaalsContact C-N 3.29Å; E181-A183 PolarHBondContact O-N 3.22Å; E181-L184 WeakPolarHBondContact O-CB 3.45Å; E181-L184 PolarHBondContact O-N 3.33Å; E181-L184 VanDerWaalsContact O-N 3.13Å; E181-S185 PolarHBondContact O-N 3.01Å
182	K	88.8	Confident	91.8	Very high	58 Å²	58	34.4 Å²	34.4	25%	0.252	16%	0.162	S	C	.	.	H	α-helix	trans	-60.8	-38.2	170.1	-73.5	169.2	-174.9	175.1	0	111.9	L160 S178 Y179 L184 S185 V186	L160-K182 HydrophobicContact CD1-CB 4.35Å; L160-K182 HydrophobicContact CD2-CB 4.32Å; S178-K182 WeakPolarHBondContact O-CB 3.39Å; S178-K182 VanDerWaalsContact O-CG 3.24Å; S178-K182 WeakPolarHBondContact O-CG 3.39Å; S178-K182 PolarHBondContact O-N 3.16Å; Y179-K182 PolarHBondContact O-N 2.93Å; K182-L184 VanDerWaalsContact C-N 3.27Å; K182-L184 PolarHBondContact O-N 3.08Å; K182-S185 PolarHBondContact O-N 3.37Å; K182-S185 PolarHBondContact O-OG 3.18Å; K182-V186 WeakPolarHBondContact O-CG2 3.29Å; K182-V186 PolarHBondContact O-N 3.45Å; K182-V186 VanDerWaalsContact O-N 3.15Å
183	A	91.9	Very high	91.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.4	-36.7	175.1	0	0	0	0	0	111.7	Q157 L160 V161 Y179 Y180 E181 V186 S187 P193	Q157-A183 HydrophobicContact CG-CB 3.68Å; Q157-A183 WeakPolarHBondContact CG-O 3.41Å; Q157-A183 PolarHBondContact NE2-O 2.76Å; L160-A183 HydrophobicContact CB-CB 3.96Å; L160-A183 HydrophobicContact CD1-CB 4.46Å; V161-A183 HydrophobicContact CG2-CB 3.77Å; Y179-A183 WeakPolarHBondContact O-CB 3.49Å; Y179-A183 PolarHBondContact O-N 3.15Å; Y180-A183 VanDerWaalsContact O-CB 3.32Å; Y180-A183 WeakPolarHBondContact O-CB 3.21Å; Y180-A183 PolarHBondContact O-N 3.25Å; E181-A183 VanDerWaalsContact C-N 3.29Å; E181-A183 PolarHBondContact O-N 3.22Å; A183-V186 PolarHBondContact O-N 2.82Å; A183-S187 PolarHBondContact O-N 3.45Å; A183-P193 HydrophobicContact CB-CB 4.02Å; A183-P193 HydrophobicContact CB-CG 3.83Å
184	L	90.1	Very high	92.1	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-74.3	-27.9	174.2	-67.2	-179.7	0	0	0	113.8	V134 Y180 E181 K182 V186 S187 P193 Y194 L197	V134-L184 HydrophobicContact CG1-CB 3.66Å; Y180-L184 WeakPolarHBondContact O-CG 3.39Å; Y180-L184 PolarHBondContact O-N 2.94Å; E181-L184 WeakPolarHBondContact O-CB 3.45Å; E181-L184 PolarHBondContact O-N 3.33Å; E181-L184 VanDerWaalsContact O-N 3.13Å; K182-L184 VanDerWaalsContact C-N 3.27Å; K182-L184 PolarHBondContact O-N 3.08Å; L184-V186 VanDerWaalsContact C-N 3.26Å; L184-S187 CarbonylContact O-C 3.47Å; L184-S187 PolarHBondContact O-N 3.47Å; L184-P193 HydrophobicContact CD2-CB 3.71Å; L184-P193 HydrophobicContact CD2-CG 4.06Å; L184-P193 HydrophobicContact CG-CB 3.92Å; L184-Y194 HydrophobicContact CD1-CD1 3.79Å; L184-Y194 HydrophobicContact CD1-CE1 3.43Å; L184-Y194 VanDerWaalsContact CD1-CE1 3.43Å; L184-Y194 HydrophobicContact CD2-CD1 3.97Å; L184-Y194 HydrophobicContact CD2-CD2 4.02Å; L184-Y194 HydrophobicContact CD2-CE1 3.54Å; L184-Y194 HydrophobicContact CD2-CE2 3.59Å; L184-Y194 HydrophobicContact CD2-CG 4.19Å; L184-Y194 HydrophobicContact CG-CE1 4.13Å; L184-L197 HydrophobicContact CD1-CD1 3.56Å
185	S	83.5	Confident	92.3	Very high	11 Å²	11	22.5 Å²	22.5	8%	0.077	11%	0.109	C	C	.	.	H	α-helix	trans	-70.3	-25	171.4	79.5	0	0	0	0	112.1	G137 E181 K182	G137-S185 WeakPolarHBondContact CA-O 3.24Å; G137-S185 PolarHBondContact N-O 3.03Å; E181-S185 PolarHBondContact O-N 3.01Å; K182-S185 PolarHBondContact O-N 3.37Å; K182-S185 PolarHBondContact O-OG 3.18Å
186	V	84.2	Confident	92.5	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.018	9%	0.089	C	C	.	.	H	α-helix	trans	-72.3	-45.1	171.9	174.4	0	0	0	0	111.2	I128 L153 I156 Q157 L160 K182 A183 L184	I128-V186 HydrophobicContact CG2-CG2 3.87Å; L153-V186 HydrophobicContact CB-CG1 4.06Å; L153-V186 HydrophobicContact CD2-CG1 3.88Å; L153-V186 WeakPolarHBondContact O-CG1 3.2Å; I156-V186 HydrophobicContact CB-CG1 4.43Å; I156-V186 HydrophobicContact CG2-CG1 4.39Å; I156-V186 HydrophobicContact CG2-CG2 4.03Å; Q157-V186 HydrophobicContact CB-CG1 4.36Å; L160-V186 HydrophobicContact CD1-CG2 3.73Å; K182-V186 WeakPolarHBondContact O-CG2 3.29Å; K182-V186 PolarHBondContact O-N 3.45Å; K182-V186 VanDerWaalsContact O-N 3.15Å; A183-V186 PolarHBondContact O-N 2.82Å; L184-V186 VanDerWaalsContact C-N 3.26Å
187	S	85.8	Confident	92.6	Very high	13 Å²	13	18.5 Å²	18.5	9%	0.091	9%	0.09	C	C	.	.			trans	-164.6	136.8	178.1	-176.7	0	0	0	0	112.1	Q157 A183 L184 H189	Q157-S187 PolarHBondContact NE2-O 2.91Å; A183-S187 PolarHBondContact O-N 3.45Å; L184-S187 CarbonylContact O-C 3.47Å; L184-S187 PolarHBondContact O-N 3.47Å; S187-H189 PolarHBondContact OG-CD2 3.26Å; S187-H189 PolarHBondContact OG-N 3.06Å
188	T	88.9	Confident	92.7	Very high	4 Å²	4	16.4 Å²	16.4	3%	0.025	8%	0.08	C	C	.	.	S	Bend	trans	-91.9	-4.9	176.2	48.5	0	0	0	0	113.4	Y190 Y194 E417	T188-Y190 VanDerWaalsContact C-N 3.32Å; T188-Y190 PolarHBondContact O-N 2.91Å; T188-Y194 WeakPolarHBondContact CB-OH 3.48Å; T188-Y194 WeakPolarHBondContact O-CE2 3.47Å; T188-E417 WeakPolarHBondContact CB-O 3.48Å; T188-E417 PolarHBondContact OG1-O 3.19Å
189	H	91.5	Very high	93	Very high	61 Å²	61	16.2 Å²	16.2	28%	0.282	8%	0.077	S	C	.	.	S	Bend	trans	-75.2	-16.8	-175.5	-69	-78.4	0	0	0	114.7	S187 T221 V222 E417 G418	S187-H189 PolarHBondContact OG-CD2 3.26Å; S187-H189 PolarHBondContact OG-N 3.06Å; H189-T221 PolarHBondContact ND1-OG1 3.1Å; H189-T221 PolarHBondContact O-N 2.65Å; H189-V222 PolarHBondContact O-N 3.46Å; H189-E417 IonicContact CE1-OE1 2.71Å; H189-E417 IonicContact NE2-OE1 2.72Å; H189-G418 WeakPolarHBondContact ND1-CA 3.26Å
190	Y	93.2	Very high	93.1	Very high	11 Å²	11	14.8 Å²	14.8	4%	0.043	7%	0.072	C	C	.	.	B	Isolated β-bridge	trans	-102.3	129.5	-172.2	-60.7	-82.2	0	0	0	111.3	S150 Y154 Q157 T188 H192 P193 Y194 V222 P581	S150-Y190 PolarHBondContact O-OH 3.35Å; Y154-Y190 AromaticContact CD2-CD1 3.96Å; Y154-Y190 HydrophobicContact CD2-CD1 3.96Å; Y154-Y190 AromaticContact CD2-CE1 3.56Å; Y154-Y190 HydrophobicContact CD2-CE1 3.56Å; Y154-Y190 HydrophobicContact CE2-CD1 4.5Å; Y154-Y190 HydrophobicContact CE2-CE1 4.39Å; Y154-Y190 HydrophobicContact CG-CE1 4.3Å; Q157-Y190 VanDerWaalsContact OE1-CD2 3.22Å; T188-Y190 VanDerWaalsContact C-N 3.32Å; T188-Y190 PolarHBondContact O-N 2.91Å; Y190-H192 VanDerWaalsContact C-N 3.3Å; Y190-H192 PolarHBondContact O-N 2.95Å; Y190-P193 WeakPolarHBondContact O-CD 3.47Å; Y190-Y194 WeakPolarHBondContact O-CD2 3.48Å; Y190-V222 HydrophobicContact CD1-CB 3.73Å; Y190-V222 HydrophobicContact CD1-CG1 3.99Å; Y190-V222 HydrophobicContact CD1-CG2 3.83Å; Y190-V222 HydrophobicContact CE1-CB 4.23Å; Y190-V222 HydrophobicContact CE1-CG1 4.46Å; Y190-V222 HydrophobicContact CE1-CG2 3.82Å; Y190-P581 HydrophobicContact CE1-CG 4.12Å
191	G	95.6	Very high	93.2	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.01	8%	0.075	C	C	.	.	H	α-helix	trans	-73.1	-19.3	-178	0	0	0	0	0	114.7	Y194 N195 A217 S220 V222	G191-Y194 PolarHBondContact O-N 3.05Å; G191-N195 PolarHBondContact O-N 3.33Å; G191-A217 WeakPolarHBondContact O-CB 3.38Å; G191-S220 WeakPolarHBondContact CA-OG 3.4Å; G191-V222 PolarHBondContact N-O 3.18Å
192	H	96	Very high	93.4	Very high	42 Å²	42	16 Å²	16	19%	0.194	8%	0.081	C	C	.	.	H	α-helix	trans	-62.5	-51	-170.7	-173	-159.2	0	0	0	113.3	V161 H162 Y190 Y194 N195 Q196 F224	V161-H192 WeakPolarHBondContact CG1-CE1 3Å; H162-H192 AromaticContact CE1-CE1 3.68Å; H162-H192 AromaticContact NE2-CE1 3.99Å; Y190-H192 VanDerWaalsContact C-N 3.3Å; Y190-H192 PolarHBondContact O-N 2.95Å; H192-Y194 VanDerWaalsContact C-N 3.29Å; H192-Y194 PolarHBondContact O-N 3.2Å; H192-N195 PolarHBondContact O-N 2.61Å; H192-N195 VanDerWaalsContact O-N 3.15Å; H192-Q196 WeakPolarHBondContact O-CG 3.31Å; H192-Q196 PolarHBondContact O-N 3.45Å; H192-F224 HydrophobicContact CB-CD2 3.81Å; H192-F224 HydrophobicContact CB-CE2 4.05Å; H192-F224 AromaticContact CD2-CD2 3.91Å; H192-F224 AromaticContact CD2-CE2 3.31Å; H192-F224 WeakPolarHBondContact CD2-CE2 3.28Å; H192-F224 AromaticContact CD2-CZ 3.52Å; H192-F224 AromaticContact CG-CE2 3.74Å; H192-F224 AromaticContact NE2-CE2 3.92Å; H192-F224 AromaticContact NE2-CZ 3.96Å
193	P	96.6	Very high	93.6	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.9	-38.6	176.4	-18.4	28.5	0	0	0	113.1	Q157 V161 A183 L184 Y190 N195 Q196 L197	Q157-P193 HydrophobicContact CG-CG 4.07Å; V161-P193 HydrophobicContact CG2-CB 4.13Å; V161-P193 HydrophobicContact CG2-CG 3.67Å; A183-P193 HydrophobicContact CB-CB 4.02Å; A183-P193 HydrophobicContact CB-CG 3.83Å; L184-P193 HydrophobicContact CD2-CB 3.71Å; L184-P193 HydrophobicContact CD2-CG 4.06Å; L184-P193 HydrophobicContact CG-CB 3.92Å; Y190-P193 WeakPolarHBondContact O-CD 3.47Å; P193-N195 PolarHBondContact O-N 3.49Å; P193-Q196 PolarHBondContact O-N 3.41Å; P193-L197 PolarHBondContact O-N 3.21Å
194	Y	97.9	Very high	93.5	Very high	3 Å²	3	19.1 Å²	19.1	1%	0.012	11%	0.114	C	C	.	.	H	α-helix	trans	-61.7	-43.3	176.5	-64.6	-64.5	0	0	0	111.5	L184 T188 Y190 G191 H192 Q196 L197 G198 F213 R216	L184-Y194 HydrophobicContact CD1-CD1 3.79Å; L184-Y194 HydrophobicContact CD1-CE1 3.43Å; L184-Y194 VanDerWaalsContact CD1-CE1 3.43Å; L184-Y194 HydrophobicContact CD2-CD1 3.97Å; L184-Y194 HydrophobicContact CD2-CD2 4.02Å; L184-Y194 HydrophobicContact CD2-CE1 3.54Å; L184-Y194 HydrophobicContact CD2-CE2 3.59Å; L184-Y194 HydrophobicContact CD2-CG 4.19Å; L184-Y194 HydrophobicContact CG-CE1 4.13Å; T188-Y194 WeakPolarHBondContact CB-OH 3.48Å; T188-Y194 WeakPolarHBondContact O-CE2 3.47Å; Y190-Y194 WeakPolarHBondContact O-CD2 3.48Å; G191-Y194 PolarHBondContact O-N 3.05Å; H192-Y194 VanDerWaalsContact C-N 3.29Å; H192-Y194 PolarHBondContact O-N 3.2Å; Y194-Q196 VanDerWaalsContact C-N 3.27Å; Y194-Q196 PolarHBondContact O-N 2.96Å; Y194-L197 PolarHBondContact O-N 2.88Å; Y194-G198 PolarHBondContact O-N 2.7Å; Y194-F213 HydrophobicContact CD1-CD1 4.02Å; Y194-F213 HydrophobicContact CD1-CE1 4.38Å; Y194-F213 WeakPolarHBondContact O-CB 3.44Å; Y194-R216 HydrophobicContact CD1-CB 3.84Å; Y194-R216 HydrophobicContact CD1-CG 4.44Å; Y194-R216 HydrophobicContact CD2-CB 4.18Å; Y194-R216 HydrophobicContact CE1-CB 4.33Å; Y194-R216 HydrophobicContact CG-CB 3.76Å; Y194-R216 VanDerWaalsContact CZ-NH2 3.31Å; Y194-R216 PolarHBondContact OH-NH2 3.03Å
195	N	98.2	Very high	93.6	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-60	-40	176.3	-179.7	79.9	0	0	0	111.7	G191 H192 P193 G198 I199 A217 F224 A227 N230	G191-N195 PolarHBondContact O-N 3.33Å; H192-N195 PolarHBondContact O-N 2.61Å; H192-N195 VanDerWaalsContact O-N 3.15Å; P193-N195 PolarHBondContact O-N 3.49Å; N195-G198 PolarHBondContact O-N 2.93Å; N195-I199 WeakPolarHBondContact O-CG1 3.39Å; N195-I199 PolarHBondContact O-N 2.91Å; N195-A217 HydrophobicContact CB-CB 3.95Å; N195-F224 HydrophobicContact CB-CD1 3.47Å; N195-F224 VanDerWaalsContact CB-CD1 3.47Å; N195-F224 HydrophobicContact CB-CE1 3.86Å; N195-F224 HydrophobicContact CB-CG 4.21Å; N195-F224 VanDerWaalsContact CG-CD1 3.49Å; N195-F224 WeakPolarHBondContact ND2-CE1 3.43Å; N195-A227 HydrophobicContact CB-CB 4.46Å; N195-A227 WeakPolarHBondContact OD1-CA 3.39Å; N195-N230 PolarHBondContact OD1-ND2 3.37Å
196	Q	98	Very high	94.1	Very high	9 Å²	9	27.3 Å²	27.3	4%	0.042	15%	0.154	C	C	.	.	H	α-helix	trans	-68.3	-38.1	179.1	-52.1	-45.1	85.4	0	0	112.1	V161 D165 Y180 H192 P193 Y194 G198 I199 L200	V161-Q196 HydrophobicContact CG1-CG 3.85Å; D165-Q196 PolarHBondContact OD1-NE2 2.67Å; Y180-Q196 HydrophobicContact CD1-CB 3.65Å; Y180-Q196 HydrophobicContact CD1-CG 4.07Å; Y180-Q196 HydrophobicContact CD2-CB 3.93Å; Y180-Q196 HydrophobicContact CE1-CB 3.39Å; Y180-Q196 HydrophobicContact CE1-CG 3.63Å; Y180-Q196 HydrophobicContact CE2-CB 3.71Å; Y180-Q196 HydrophobicContact CG-CB 3.94Å; Y180-Q196 VanDerWaalsContact CZ-CB 3.45Å; H192-Q196 WeakPolarHBondContact O-CG 3.31Å; H192-Q196 PolarHBondContact O-N 3.45Å; P193-Q196 PolarHBondContact O-N 3.41Å; Y194-Q196 VanDerWaalsContact C-N 3.27Å; Y194-Q196 PolarHBondContact O-N 2.96Å; Q196-G198 VanDerWaalsContact C-N 3.34Å; Q196-I199 WeakPolarHBondContact O-CB 3.46Å; Q196-I199 PolarHBondContact O-N 3.26Å; Q196-L200 PolarHBondContact O-N 3.4Å; Q196-L200 VanDerWaalsContact O-N 3.1Å
197	L	97.9	Very high	94.7	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-42	170.2	-71.1	169.8	0	0	0	111.4	Q177 Y180 L184 P193 Y194 I199 L200 E201 F213	Q177-L197 HydrophobicContact CG-CD2 3.94Å; Y180-L197 HydrophobicContact CD2-CD2 4.17Å; Y180-L197 HydrophobicContact CD2-CG 4.47Å; Y180-L197 HydrophobicContact CG-CD2 4.48Å; L184-L197 HydrophobicContact CD1-CD1 3.56Å; P193-L197 PolarHBondContact O-N 3.21Å; Y194-L197 PolarHBondContact O-N 2.88Å; L197-I199 VanDerWaalsContact C-N 3.29Å; L197-I199 PolarHBondContact O-N 2.93Å; L197-L200 WeakPolarHBondContact O-CB 3.39Å; L197-L200 PolarHBondContact O-N 2.87Å; L197-L200 VanDerWaalsContact O-N 3.07Å; L197-E201 WeakPolarHBondContact O-CG 3.46Å; L197-E201 PolarHBondContact O-N 3.48Å; L197-F213 HydrophobicContact CB-CD1 3.85Å; L197-F213 HydrophobicContact CB-CD2 3.93Å; L197-F213 HydrophobicContact CB-CE1 3.94Å; L197-F213 HydrophobicContact CB-CE2 4.02Å; L197-F213 HydrophobicContact CB-CG 3.86Å; L197-F213 HydrophobicContact CB-CZ 4.03Å; L197-F213 HydrophobicContact CD1-CD1 4.15Å; L197-F213 HydrophobicContact CD1-CE1 3.65Å; L197-F213 HydrophobicContact CD1-CZ 4.05Å; L197-F213 HydrophobicContact CG-CE1 4.41Å
198	G	97.7	Very high	95.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.8	-37.3	175.1	0	0	0	0	0	113.3	Y194 N195 Q196 E201 T202 Y214	Y194-G198 PolarHBondContact O-N 2.7Å; N195-G198 PolarHBondContact O-N 2.93Å; Q196-G198 VanDerWaalsContact C-N 3.34Å; G198-E201 PolarHBondContact O-N 3.18Å; G198-T202 WeakPolarHBondContact O-CB 3.4Å; G198-T202 PolarHBondContact O-N 3.33Å; G198-T202 PolarHBondContact O-OG1 3.47Å; G198-Y214 PolarHBondContact O-OH 2.85Å
199	I	97.1	Very high	95.6	Very high	27 Å²	27	30.3 Å²	30.3	14%	0.138	17%	0.167	C	C	.	.	H	α-helix	trans	-63.9	-44.2	172.4	-66.3	168.5	0	0	0	110.9	N195 Q196 L197 T202 V203 Y214	N195-I199 WeakPolarHBondContact O-CG1 3.39Å; N195-I199 PolarHBondContact O-N 2.91Å; Q196-I199 WeakPolarHBondContact O-CB 3.46Å; Q196-I199 PolarHBondContact O-N 3.26Å; L197-I199 VanDerWaalsContact C-N 3.29Å; L197-I199 PolarHBondContact O-N 2.93Å; I199-T202 PolarHBondContact O-N 3.33Å; I199-V203 WeakPolarHBondContact O-CG2 3.49Å; I199-V203 PolarHBondContact O-N 3.31Å; I199-Y214 HydrophobicContact CG1-CE1 4.34Å; I199-Y214 PolarHBondContact N-OH 3.4Å
200	L	96.8	Very high	95.9	Very high	18 Å²	18	27.4 Å²	27.4	9%	0.094	15%	0.153	C	C	.	.	H	α-helix	trans	-62	-43.8	177	-66.9	-173.7	0	0	0	112.2	R168 L173 A176 Q177 Y180 Q196 L197 T202 V203 G204	R168-L200 HydrophobicContact CG-CD2 3.84Å; L173-L200 HydrophobicContact CD2-CD2 3.92Å; A176-L200 HydrophobicContact CB-CD1 4.47Å; Q177-L200 HydrophobicContact CB-CD1 3.69Å; Q177-L200 HydrophobicContact CG-CD1 4.33Å; Y180-L200 HydrophobicContact CD2-CD1 3.77Å; Y180-L200 HydrophobicContact CD2-CG 4.45Å; Y180-L200 HydrophobicContact CE2-CD1 3.73Å; Y180-L200 HydrophobicContact CE2-CG 4.09Å; Q196-L200 PolarHBondContact O-N 3.4Å; Q196-L200 VanDerWaalsContact O-N 3.1Å; L197-L200 WeakPolarHBondContact O-CB 3.39Å; L197-L200 PolarHBondContact O-N 2.87Å; L197-L200 VanDerWaalsContact O-N 3.07Å; L200-T202 VanDerWaalsContact C-N 3.3Å; L200-T202 PolarHBondContact O-N 3.04Å; L200-V203 WeakPolarHBondContact O-CB 3.21Å; L200-V203 PolarHBondContact O-N 3Å; L200-G204 PolarHBondContact O-N 3.15Å; L200-G204 VanDerWaalsContact O-N 3.1Å
201	E	96.4	Very high	96.1	Very high	14 Å²	14	26.9 Å²	26.9	7%	0.065	15%	0.151	C	C	.	.	H	α-helix	trans	-64.2	-35.9	177.1	-65.4	-57.8	164.3	0	0	111.9	L197 G198 V203 G204 D205 K206 A209 A210 F213	L197-E201 WeakPolarHBondContact O-CG 3.46Å; L197-E201 PolarHBondContact O-N 3.48Å; G198-E201 PolarHBondContact O-N 3.18Å; E201-V203 VanDerWaalsContact C-N 3.34Å; E201-G204 CarbonylContact O-C 3.49Å; E201-G204 PolarHBondContact O-N 2.95Å; E201-G204 VanDerWaalsContact O-N 3.16Å; E201-D205 PolarHBondContact O-N 3.3Å; E201-K206 HydrophobicContact CB-CB 4.27Å; E201-K206 PolarHBondContact O-N 2.97Å; E201-K206 WeakPolarHBondContact OE2-CB 3.35Å; E201-K206 WeakPolarHBondContact OE2-CD 3.14Å; E201-A209 HydrophobicContact CB-CB 4.19Å; E201-A209 HydrophobicContact CG-CB 3.81Å; E201-A210 HydrophobicContact CB-CB 3.94Å; E201-F213 HydrophobicContact CG-CD2 3.56Å; E201-F213 HydrophobicContact CG-CE2 3.56Å
202	T	95.3	Very high	96.2	Very high	52 Å²	52	27.3 Å²	27.3	32%	0.319	15%	0.153	S	C	.	.	H	α-helix	trans	-63.8	-39.8	174.1	-57.3	0	0	0	0	111.5	G198 I199 L200 G204 D205 A210 Y214	G198-T202 WeakPolarHBondContact O-CB 3.4Å; G198-T202 PolarHBondContact O-N 3.33Å; G198-T202 PolarHBondContact O-OG1 3.47Å; I199-T202 PolarHBondContact O-N 3.33Å; L200-T202 VanDerWaalsContact C-N 3.3Å; L200-T202 PolarHBondContact O-N 3.04Å; T202-G204 PolarHBondContact O-N 2.93Å; T202-D205 PolarHBondContact O-N 3.48Å; T202-A210 WeakPolarHBondContact OG1-CB 3.43Å; T202-Y214 PolarHBondContact OG1-OH 3.41Å
203	V	92.4	Very high	96.3	Very high	79 Å²	79	25.9 Å²	25.9	48%	0.479	15%	0.146	S	C	.	.	H	α-helix	trans	-64.3	-31.3	174.6	172.2	0	0	0	0	111.7	L173 I199 L200 E201 D205	L173-V203 HydrophobicContact CD1-CG1 3.94Å; I199-V203 WeakPolarHBondContact O-CG2 3.49Å; I199-V203 PolarHBondContact O-N 3.31Å; L200-V203 WeakPolarHBondContact O-CB 3.21Å; L200-V203 PolarHBondContact O-N 3Å; E201-V203 VanDerWaalsContact C-N 3.34Å; V203-D205 VanDerWaalsContact C-N 3.33Å
204	G	90.7	Very high	96.4	Very high	45 Å²	45	26.4 Å²	26.4	46%	0.464	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	8.2	175.7	0	0	0	0	0	115.5	L200 E201 T202 K206	L200-G204 PolarHBondContact O-N 3.15Å; L200-G204 VanDerWaalsContact O-N 3.1Å; E201-G204 CarbonylContact O-C 3.49Å; E201-G204 PolarHBondContact O-N 2.95Å; E201-G204 VanDerWaalsContact O-N 3.16Å; T202-G204 PolarHBondContact O-N 2.93Å; G204-K206 PolarHBondContact O-N 3.31Å
205	D	92.1	Very high	96.4	Very high	118 Å²	118	26.2 Å²	26.2	63%	0.631	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	26.2	-174.2	-160.7	31.9	0	0	0	114.8	E201 T202 V203 K207	E201-D205 PolarHBondContact O-N 3.3Å; T202-D205 PolarHBondContact O-N 3.48Å; V203-D205 VanDerWaalsContact C-N 3.33Å; D205-K207 PolarHBondContact O-N 3.42Å; D205-K207 WeakPolarHBondContact OD1-CE 3.5Å
206	K	94.4	Very high	96.3	Very high	66 Å²	66	26.1 Å²	26.1	29%	0.287	15%	0.146	S	C	.	.			trans	-92.8	69.4	177.4	-70.9	172.1	170.7	-170	0	110.4	E201 G204 L208 A209 A210 Y702	E201-K206 HydrophobicContact CB-CB 4.27Å; E201-K206 PolarHBondContact O-N 2.97Å; E201-K206 WeakPolarHBondContact OE2-CB 3.35Å; E201-K206 WeakPolarHBondContact OE2-CD 3.14Å; G204-K206 PolarHBondContact O-N 3.31Å; K206-L208 PolarHBondContact O-N 3.07Å; K206-A209 HydrophobicContact CB-CB 4.16Å; K206-A209 PolarHBondContact O-N 3.13Å; K206-A209 VanDerWaalsContact O-N 3.16Å; K206-A210 PolarHBondContact O-N 3.23Å; K206-Y702 PolarHBondContact NZ-O 3.04Å
207	K	96	Very high	96.3	Very high	63 Å²	63	25.7 Å²	25.7	27%	0.274	14%	0.144	S	C	.	.	H	α-helix	trans	-56.9	-40.8	-171.2	-60.7	-174.6	-173.7	177.8	0	114.1	D205 A210 A211 L234 I238 L253	D205-K207 PolarHBondContact O-N 3.42Å; D205-K207 WeakPolarHBondContact OD1-CE 3.5Å; K207-A210 PolarHBondContact O-N 3.27Å; K207-A211 WeakPolarHBondContact O-CB 3.35Å; K207-A211 PolarHBondContact O-N 3.22Å; K207-L234 HydrophobicContact CB-CD1 4.09Å; K207-L234 HydrophobicContact CD-CD1 4.43Å; K207-L234 HydrophobicContact CG-CD1 4.02Å; K207-L234 WeakPolarHBondContact O-CD2 3.46Å; K207-I238 HydrophobicContact CD-CD1 3.63Å; K207-L253 HydrophobicContact CB-CD1 3.5Å
208	L	96.4	Very high	96.2	Very high	14 Å²	14	27.5 Å²	27.5	7%	0.073	15%	0.154	C	C	.	.	H	α-helix	trans	-64.9	-44.2	177.9	-179.8	61.7	0	0	0	112	K206 A211 Y212 F248 L252 L253 Q295 I296 T299	K206-L208 PolarHBondContact O-N 3.07Å; L208-A211 PolarHBondContact O-N 2.77Å; L208-Y212 PolarHBondContact O-N 2.89Å; L208-F248 HydrophobicContact CD2-CE2 4.41Å; L208-L252 HydrophobicContact CD1-CD2 3.91Å; L208-L252 HydrophobicContact CD2-CD2 4.38Å; L208-L253 HydrophobicContact CD1-CD2 4.49Å; L208-Q295 HydrophobicContact CD2-CB 4.48Å; L208-Q295 HydrophobicContact CG-CB 4.19Å; L208-I296 HydrophobicContact CD2-CG1 4Å; L208-T299 HydrophobicContact CD1-CG2 4.16Å
209	A	96.9	Very high	96.1	Very high	7 Å²	7	28.6 Å²	28.6	6%	0.058	16%	0.159	C	C	.	.	H	α-helix	trans	-65.4	-39.2	176.3	0	0	0	0	0	111.6	E201 K206 Y212 F213	E201-A209 HydrophobicContact CB-CB 4.19Å; E201-A209 HydrophobicContact CG-CB 3.81Å; K206-A209 HydrophobicContact CB-CB 4.16Å; K206-A209 PolarHBondContact O-N 3.13Å; K206-A209 VanDerWaalsContact O-N 3.16Å; A209-Y212 WeakPolarHBondContact O-CB 3.44Å; A209-Y212 PolarHBondContact O-N 3.29Å; A209-F213 WeakPolarHBondContact O-CD2 3.48Å; A209-F213 PolarHBondContact O-N 2.96Å
210	A	97.9	Very high	96	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.4	-48	173.6	0	0	0	0	0	111.9	E201 T202 K206 K207 Y212 F213 Y214 L234	E201-A210 HydrophobicContact CB-CB 3.94Å; T202-A210 WeakPolarHBondContact OG1-CB 3.43Å; K206-A210 PolarHBondContact O-N 3.23Å; K207-A210 PolarHBondContact O-N 3.27Å; A210-Y212 VanDerWaalsContact C-N 3.32Å; A210-Y212 PolarHBondContact O-N 3.49Å; A210-F213 PolarHBondContact O-N 3.38Å; A210-Y214 HydrophobicContact CB-CE2 4.18Å; A210-Y214 WeakPolarHBondContact O-CD2 3.43Å; A210-Y214 PolarHBondContact O-N 2.93Å; A210-L234 HydrophobicContact CB-CD2 4.02Å
211	A	97.9	Very high	95.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.6	-44.3	176.5	0	0	0	0	0	111.7	K207 L208 F213 Y214 L215 L231 L234 T299	K207-A211 WeakPolarHBondContact O-CB 3.35Å; K207-A211 PolarHBondContact O-N 3.22Å; L208-A211 PolarHBondContact O-N 2.77Å; A211-F213 PolarHBondContact O-N 3.15Å; A211-Y214 PolarHBondContact O-N 3.2Å; A211-L215 WeakPolarHBondContact O-CB 3.44Å; A211-L215 WeakPolarHBondContact O-CG 3.19Å; A211-L215 PolarHBondContact O-N 3.33Å; A211-L231 HydrophobicContact CB-CD1 3.92Å; A211-L234 HydrophobicContact CB-CD2 3.79Å; A211-T299 HydrophobicContact CB-CG2 3.96Å
212	Y	97.9	Very high	95.7	Very high	9 Å²	9	29.8 Å²	29.8	4%	0.035	17%	0.17	C	C	.	.	H	α-helix	trans	-55.6	-51.3	174.1	163.8	-98.2	0	0	0	111.8	L208 A209 A210 Y214 L215 R216 Q295 I298	L208-Y212 PolarHBondContact O-N 2.89Å; A209-Y212 WeakPolarHBondContact O-CB 3.44Å; A209-Y212 PolarHBondContact O-N 3.29Å; A210-Y212 VanDerWaalsContact C-N 3.32Å; A210-Y212 PolarHBondContact O-N 3.49Å; Y212-Y214 PolarHBondContact O-N 3.39Å; Y212-L215 PolarHBondContact O-N 3.43Å; Y212-R216 HydrophobicContact CD1-CG 4.36Å; Y212-R216 HydrophobicContact CD2-CG 4.2Å; Y212-R216 HydrophobicContact CE1-CG 3.94Å; Y212-R216 HydrophobicContact CE2-CG 3.77Å; Y212-R216 HydrophobicContact CG-CG 4.49Å; Y212-R216 WeakPolarHBondContact O-CG 3.14Å; Y212-R216 PolarHBondContact O-N 2.9Å; Y212-R216 PolarHBondContact OH-NH1 3.03Å; Y212-Q295 HydrophobicContact CD1-CG 4.1Å; Y212-Q295 HydrophobicContact CD2-CB 4.26Å; Y212-Q295 HydrophobicContact CD2-CG 3.94Å; Y212-Q295 HydrophobicContact CG-CB 4.23Å; Y212-Q295 HydrophobicContact CG-CG 3.67Å; Y212-I298 HydrophobicContact CD2-CB 3.87Å; Y212-I298 HydrophobicContact CD2-CG1 4.43Å; Y212-I298 HydrophobicContact CD2-CG2 3.77Å; Y212-I298 HydrophobicContact CE2-CB 4.01Å; Y212-I298 HydrophobicContact CE2-CG1 4.09Å; Y212-I298 HydrophobicContact CE2-CG2 3.91Å
213	F	98.2	Very high	95.6	Very high	13 Å²	13	30.2 Å²	30.2	6%	0.057	17%	0.174	C	C	.	.	H	α-helix	trans	-67	-37.9	-178	-79.4	-54.5	0	0	0	113.1	Y194 L197 E201 A209 A210 A211 L215 R216 A217	Y194-F213 HydrophobicContact CD1-CD1 4.02Å; Y194-F213 HydrophobicContact CD1-CE1 4.38Å; Y194-F213 WeakPolarHBondContact O-CB 3.44Å; L197-F213 HydrophobicContact CB-CD1 3.85Å; L197-F213 HydrophobicContact CB-CD2 3.93Å; L197-F213 HydrophobicContact CB-CE1 3.94Å; L197-F213 HydrophobicContact CB-CE2 4.02Å; L197-F213 HydrophobicContact CB-CG 3.86Å; L197-F213 HydrophobicContact CB-CZ 4.03Å; L197-F213 HydrophobicContact CD1-CD1 4.15Å; L197-F213 HydrophobicContact CD1-CE1 3.65Å; L197-F213 HydrophobicContact CD1-CZ 4.05Å; L197-F213 HydrophobicContact CG-CE1 4.41Å; E201-F213 HydrophobicContact CG-CD2 3.56Å; E201-F213 HydrophobicContact CG-CE2 3.56Å; A209-F213 WeakPolarHBondContact O-CD2 3.48Å; A209-F213 PolarHBondContact O-N 2.96Å; A210-F213 PolarHBondContact O-N 3.38Å; A211-F213 PolarHBondContact O-N 3.15Å; F213-L215 VanDerWaalsContact C-N 3.33Å; F213-L215 PolarHBondContact O-N 2.82Å; F213-R216 PolarHBondContact O-N 3.49Å; F213-A217 WeakPolarHBondContact O-CB 3.42Å; F213-A217 PolarHBondContact O-N 3.01Å
214	Y	98.4	Very high	95.7	Very high	10 Å²	10	28.6 Å²	28.6	4%	0.039	16%	0.161	C	C	.	.	H	α-helix	trans	-64.8	-37.7	173.8	-64.6	-40.8	0	0	0	112.2	G198 I199 T202 A210 A211 Y212 A217 L218 A227 N230 L231 L234	G198-Y214 PolarHBondContact O-OH 2.85Å; I199-Y214 HydrophobicContact CG1-CE1 4.34Å; I199-Y214 PolarHBondContact N-OH 3.4Å; T202-Y214 PolarHBondContact OG1-OH 3.41Å; A210-Y214 HydrophobicContact CB-CE2 4.18Å; A210-Y214 WeakPolarHBondContact O-CD2 3.43Å; A210-Y214 PolarHBondContact O-N 2.93Å; A211-Y214 PolarHBondContact O-N 3.2Å; Y212-Y214 PolarHBondContact O-N 3.39Å; Y214-A217 WeakPolarHBondContact O-CB 3.33Å; Y214-A217 PolarHBondContact O-N 3.42Å; Y214-L218 WeakPolarHBondContact O-CB 3.5Å; Y214-L218 PolarHBondContact O-N 3.06Å; Y214-A227 HydrophobicContact CD1-CB 4.43Å; Y214-A227 WeakPolarHBondContact O-CB 3.47Å; Y214-N230 HydrophobicContact CD1-CB 3.87Å; Y214-N230 HydrophobicContact CD2-CB 4.1Å; Y214-N230 HydrophobicContact CE1-CB 3.57Å; Y214-N230 HydrophobicContact CE2-CB 3.8Å; Y214-N230 HydrophobicContact CG-CB 4.15Å; Y214-L231 HydrophobicContact CD2-CB 4.4Å; Y214-L234 HydrophobicContact CD2-CD2 4.37Å; Y214-L234 HydrophobicContact CE2-CD2 4.45Å
215	L	97.6	Very high	95.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-69.4	-40.1	174.3	-77.6	169.7	0	0	0	112.7	A211 Y212 F213 A217 L218 H219 L231 T299	A211-L215 WeakPolarHBondContact O-CB 3.44Å; A211-L215 WeakPolarHBondContact O-CG 3.19Å; A211-L215 PolarHBondContact O-N 3.33Å; Y212-L215 PolarHBondContact O-N 3.43Å; F213-L215 VanDerWaalsContact C-N 3.33Å; F213-L215 PolarHBondContact O-N 2.82Å; L215-A217 VanDerWaalsContact C-N 3.26Å; L215-A217 PolarHBondContact O-N 3.22Å; L215-L218 PolarHBondContact O-N 3.34Å; L215-H219 PolarHBondContact O-CD2 3.46Å; L215-H219 PolarHBondContact O-N 2.97Å; L215-L231 HydrophobicContact CD1-CD2 4.44Å; L215-L231 HydrophobicContact CD2-CD2 3.48Å; L215-L231 VanDerWaalsContact CD2-CD2 3.48Å; L215-L231 HydrophobicContact CG-CD2 3.67Å; L215-T299 VanDerWaalsContact CD1-CA 3.48Å; L215-T299 HydrophobicContact CD1-CG2 4.03Å
216	R	97.2	Very high	95.6	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	16%	0.164	C	C	.	.	H	α-helix	trans	-56.1	-44.3	170.3	-73.2	-63.3	-56	-95.7	8.8	110.7	Y194 Y212 F213 S220 L415 M416	Y194-R216 HydrophobicContact CD1-CB 3.84Å; Y194-R216 HydrophobicContact CD1-CG 4.44Å; Y194-R216 HydrophobicContact CD2-CB 4.18Å; Y194-R216 HydrophobicContact CE1-CB 4.33Å; Y194-R216 HydrophobicContact CG-CB 3.76Å; Y194-R216 VanDerWaalsContact CZ-NH2 3.31Å; Y194-R216 PolarHBondContact OH-NH2 3.03Å; Y212-R216 HydrophobicContact CD1-CG 4.36Å; Y212-R216 HydrophobicContact CD2-CG 4.2Å; Y212-R216 HydrophobicContact CE1-CG 3.94Å; Y212-R216 HydrophobicContact CE2-CG 3.77Å; Y212-R216 HydrophobicContact CG-CG 4.49Å; Y212-R216 WeakPolarHBondContact O-CG 3.14Å; Y212-R216 PolarHBondContact O-N 2.9Å; Y212-R216 PolarHBondContact OH-NH1 3.03Å; F213-R216 PolarHBondContact O-N 3.49Å; R216-S220 PolarHBondContact O-N 2.69Å; R216-S220 VanDerWaalsContact O-N 3.09Å; R216-S220 PolarHBondContact O-OG 2.72Å; R216-L415 PolarHBondContact NH1-O 3.14Å; R216-L415 PolarHBondContact NH2-O 3.44Å; R216-M416 PolarHBondContact NH1-SD 3.34Å
217	A	97.8	Very high	95.8	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.9	-42.7	177.9	0	0	0	0	0	113.3	G191 N195 F213 Y214 L215 S223 F224 A227	G191-A217 WeakPolarHBondContact O-CB 3.38Å; N195-A217 HydrophobicContact CB-CB 3.95Å; F213-A217 WeakPolarHBondContact O-CB 3.42Å; F213-A217 PolarHBondContact O-N 3.01Å; Y214-A217 WeakPolarHBondContact O-CB 3.33Å; Y214-A217 PolarHBondContact O-N 3.42Å; L215-A217 VanDerWaalsContact C-N 3.26Å; L215-A217 PolarHBondContact O-N 3.22Å; A217-S223 WeakPolarHBondContact O-CA 3.42Å; A217-F224 HydrophobicContact CB-CB 4.32Å; A217-F224 PolarHBondContact O-N 2.91Å; A217-A227 HydrophobicContact CB-CB 3.53Å
218	L	96.3	Very high	95.7	Very high	42 Å²	42	23.7 Å²	23.7	22%	0.22	15%	0.145	C	C	.	.	H	α-helix	trans	-68.1	-37.6	-178.1	-176.6	61.5	0	0	0	112.4	Y214 L215 S223 A227	Y214-L218 WeakPolarHBondContact O-CB 3.5Å; Y214-L218 PolarHBondContact O-N 3.06Å; L215-L218 PolarHBondContact O-N 3.34Å; L218-S223 WeakPolarHBondContact O-CB 3.31Å; L218-A227 HydrophobicContact CB-CB 4.47Å
219	H	95.6	Very high	95.7	Very high	22 Å²	22	26 Å²	26	10%	0.102	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	25.4	-177.3	-58.4	-67.2	0	0	0	112.9	L215 F419 Q420 L421	L215-H219 PolarHBondContact O-CD2 3.46Å; L215-H219 PolarHBondContact O-N 2.97Å; H219-F419 HydrophobicContact CB-CD2 3.99Å; H219-F419 HydrophobicContact CB-CE2 3.64Å; H219-F419 HydrophobicContact CB-CZ 4.41Å; H219-F419 CarbonylContact O-C 3.57Å; H219-F419 WeakPolarHBondContact O-CA 3.23Å; H219-Q420 WeakPolarHBondContact O-CB 3.34Å; H219-Q420 WeakPolarHBondContact O-CG 3.49Å; H219-Q420 PolarHBondContact O-N 3.36Å; H219-L421 HydrophobicContact CB-CD1 4.5Å; H219-L421 HydrophobicContact CB-CG 4.07Å
220	S	94.5	Very high	95.7	Very high	1 Å²	1	27 Å²	27	1%	0.007	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-72.3	158.5	165.9	-73	0	0	0	0	110.6	G191 R216 V222 S223 G418 Q420	G191-S220 WeakPolarHBondContact CA-OG 3.4Å; R216-S220 PolarHBondContact O-N 2.69Å; R216-S220 VanDerWaalsContact O-N 3.09Å; R216-S220 PolarHBondContact O-OG 2.72Å; S220-V222 PolarHBondContact O-N 3.26Å; S220-S223 PolarHBondContact O-N 2.97Å; S220-G418 CarbonylContact C-O 3.43Å; S220-G418 WeakPolarHBondContact CA-O 3.37Å; S220-Q420 PolarHBondContact O-NE2 3.05Å
221	T	92.8	Very high	95.7	Very high	43 Å²	43	27 Å²	27	26%	0.264	16%	0.164	S	C	.	.	S	Bend	trans	-52.9	-45.6	176	-57	0	0	0	0	110.5	H189 G418 L580	H189-T221 PolarHBondContact ND1-OG1 3.1Å; H189-T221 PolarHBondContact O-N 2.65Å; T221-G418 PolarHBondContact N-O 2.86Å; T221-G418 WeakPolarHBondContact OG1-CA 3.37Å; T221-G418 PolarHBondContact OG1-O 2.64Å; T221-L580 HydrophobicContact CG2-CD2 3.95Å
222	V	92.8	Very high	95.6	Very high	41 Å²	41	30.8 Å²	30.8	25%	0.248	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-103.5	89.9	166.6	-175.4	0	0	0	0	107.7	H189 Y190 G191 S220 P581	H189-V222 PolarHBondContact O-N 3.46Å; Y190-V222 HydrophobicContact CD1-CB 3.73Å; Y190-V222 HydrophobicContact CD1-CG1 3.99Å; Y190-V222 HydrophobicContact CD1-CG2 3.83Å; Y190-V222 HydrophobicContact CE1-CB 4.23Å; Y190-V222 HydrophobicContact CE1-CG1 4.46Å; Y190-V222 HydrophobicContact CE1-CG2 3.82Å; G191-V222 PolarHBondContact N-O 3.18Å; S220-V222 PolarHBondContact O-N 3.26Å; V222-P581 HydrophobicContact CG2-CG 4.2Å
223	S	94	Very high	95.6	Very high	60 Å²	60	34.1 Å²	34.1	42%	0.42	19%	0.194	S	C	.	.			trans	-61.1	151.1	-178	69.5	0	0	0	0	112.8	A217 L218 S220	A217-S223 WeakPolarHBondContact O-CA 3.42Å; L218-S223 WeakPolarHBondContact O-CB 3.31Å; S220-S223 PolarHBondContact O-N 2.97Å
224	F	94.9	Very high	95.5	Very high	46 Å²	46	34 Å²	34	20%	0.202	19%	0.194	C	C	.	.			trans	-109.6	99.4	171.5	-165.4	-103	0	0	0	110.4	H192 N195 A217 N226 A227	H192-F224 HydrophobicContact CB-CD2 3.81Å; H192-F224 HydrophobicContact CB-CE2 4.05Å; H192-F224 AromaticContact CD2-CD2 3.91Å; H192-F224 AromaticContact CD2-CE2 3.31Å; H192-F224 WeakPolarHBondContact CD2-CE2 3.28Å; H192-F224 AromaticContact CD2-CZ 3.52Å; H192-F224 AromaticContact CG-CE2 3.74Å; H192-F224 AromaticContact NE2-CE2 3.92Å; H192-F224 AromaticContact NE2-CZ 3.96Å; N195-F224 HydrophobicContact CB-CD1 3.47Å; N195-F224 VanDerWaalsContact CB-CD1 3.47Å; N195-F224 HydrophobicContact CB-CE1 3.86Å; N195-F224 HydrophobicContact CB-CG 4.21Å; N195-F224 VanDerWaalsContact CG-CD1 3.49Å; N195-F224 WeakPolarHBondContact ND2-CE1 3.43Å; A217-F224 HydrophobicContact CB-CB 4.32Å; A217-F224 PolarHBondContact O-N 2.91Å; F224-N226 VanDerWaalsContact C-N 3.26Å; F224-N226 HydrophobicContact CD1-CB 4.01Å; F224-N226 HydrophobicContact CE1-CB 3.65Å; F224-N226 HydrophobicContact CZ-CB 4.46Å; F224-N226 PolarHBondContact O-N 2.93Å; F224-N226 VanDerWaalsContact O-N 3.11Å; F224-A227 WeakPolarHBondContact O-CB 3.49Å; F224-A227 PolarHBondContact O-N 3.42Å
225	A	90	Very high	95.4	Very high	76 Å²	76	33.7 Å²	33.7	63%	0.628	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-38.3	-170.3	0	0	0	0	0	114.4	A227 G228	A225-A227 PolarHBondContact O-N 2.88Å; A225-A227 VanDerWaalsContact O-N 3.14Å; A225-G228 PolarHBondContact O-N 3.23Å; A225-G228 VanDerWaalsContact O-N 3.16Å
226	N	91.2	Very high	95.4	Very high	97 Å²	97	37.7 Å²	37.7	52%	0.519	21%	0.213	S	C	.	.	H	α-helix	trans	-64.2	-19.1	179.8	-70.3	-15.5	0	0	0	113.5	F224 G228 V229 N230	F224-N226 VanDerWaalsContact C-N 3.26Å; F224-N226 HydrophobicContact CD1-CB 4.01Å; F224-N226 HydrophobicContact CE1-CB 3.65Å; F224-N226 HydrophobicContact CZ-CB 4.46Å; F224-N226 PolarHBondContact O-N 2.93Å; F224-N226 VanDerWaalsContact O-N 3.11Å; N226-G228 VanDerWaalsContact C-N 3.25Å; N226-G228 PolarHBondContact O-N 3.41Å; N226-V229 PolarHBondContact O-N 3.02Å; N226-N230 PolarHBondContact O-N 3.35Å; N226-N230 VanDerWaalsContact O-N 3.12Å; N226-N230 PolarHBondContact O-ND2 2.81Å
227	A	96.6	Very high	95.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.7	-33.6	175.8	0	0	0	0	0	112.1	N195 Y214 A217 L218 F224 A225 V229 N230 L231	N195-A227 HydrophobicContact CB-CB 4.46Å; N195-A227 WeakPolarHBondContact OD1-CA 3.39Å; Y214-A227 HydrophobicContact CD1-CB 4.43Å; Y214-A227 WeakPolarHBondContact O-CB 3.47Å; A217-A227 HydrophobicContact CB-CB 3.53Å; L218-A227 HydrophobicContact CB-CB 4.47Å; F224-A227 WeakPolarHBondContact O-CB 3.49Å; F224-A227 PolarHBondContact O-N 3.42Å; A225-A227 PolarHBondContact O-N 2.88Å; A225-A227 VanDerWaalsContact O-N 3.14Å; A227-V229 PolarHBondContact O-N 2.95Å; A227-N230 PolarHBondContact O-N 3.03Å; A227-L231 WeakPolarHBondContact O-CB 3.33Å; A227-L231 PolarHBondContact O-N 2.75Å
228	G	95.3	Very high	95.2	Very high	16 Å²	16	41.3 Å²	41.3	17%	0.165	24%	0.238	C	C	.	.	H	α-helix	trans	-62.3	-42.7	175.6	0	0	0	0	0	112.4	A225 N226 L231 E232	A225-G228 PolarHBondContact O-N 3.23Å; A225-G228 VanDerWaalsContact O-N 3.16Å; N226-G228 VanDerWaalsContact C-N 3.25Å; N226-G228 PolarHBondContact O-N 3.41Å; G228-L231 PolarHBondContact O-N 2.89Å; G228-E232 WeakPolarHBondContact O-CB 3.19Å; G228-E232 PolarHBondContact O-N 3.49Å
229	V	96.5	Very high	95	Very high	62 Å²	62	43.3 Å²	43.3	38%	0.376	25%	0.249	S	C	.	.	H	α-helix	trans	-65.2	-39.9	176.3	-180	0	0	0	0	111.1	N226 A227 R233	N226-V229 PolarHBondContact O-N 3.02Å; A227-V229 PolarHBondContact O-N 2.95Å; V229-R233 WeakPolarHBondContact O-CB 3.5Å; V229-R233 PolarHBondContact O-N 3.49Å
230	N	97.2	Very high	94.9	Very high	28 Å²	28	43.1 Å²	43.1	15%	0.15	25%	0.249	C	C	.	.	H	α-helix	trans	-68.2	-41.6	178	-69.4	-23.4	0	0	0	112.2	N195 Y214 N226 A227 R233 L234	N195-N230 PolarHBondContact OD1-ND2 3.37Å; Y214-N230 HydrophobicContact CD1-CB 3.87Å; Y214-N230 HydrophobicContact CD2-CB 4.1Å; Y214-N230 HydrophobicContact CE1-CB 3.57Å; Y214-N230 HydrophobicContact CE2-CB 3.8Å; Y214-N230 HydrophobicContact CG-CB 4.15Å; N226-N230 PolarHBondContact O-N 3.35Å; N226-N230 VanDerWaalsContact O-N 3.12Å; N226-N230 PolarHBondContact O-ND2 2.81Å; A227-N230 PolarHBondContact O-N 3.03Å; N230-R233 PolarHBondContact O-N 2.79Å; N230-R233 PolarHBondContact OD1-NH1 3.07Å; N230-L234 WeakPolarHBondContact O-CB 3.32Å; N230-L234 PolarHBondContact O-N 3.15Å
231	L	97.2	Very high	94.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.4	-44.4	175.3	-176.4	62.2	0	0	0	111.9	A211 Y214 L215 A227 G228 L234 Y235 Y260	A211-L231 HydrophobicContact CB-CD1 3.92Å; Y214-L231 HydrophobicContact CD2-CB 4.4Å; L215-L231 HydrophobicContact CD1-CD2 4.44Å; L215-L231 HydrophobicContact CD2-CD2 3.48Å; L215-L231 VanDerWaalsContact CD2-CD2 3.48Å; L215-L231 HydrophobicContact CG-CD2 3.67Å; A227-L231 WeakPolarHBondContact O-CB 3.33Å; A227-L231 PolarHBondContact O-N 2.75Å; G228-L231 PolarHBondContact O-N 2.89Å; L231-L234 WeakPolarHBondContact O-CB 3.44Å; L231-L234 PolarHBondContact O-N 3.15Å; L231-Y235 HydrophobicContact CD1-CD2 4Å; L231-Y235 HydrophobicContact CD1-CE2 3.5Å; L231-Y235 HydrophobicContact CD2-CE2 4.17Å; L231-Y235 HydrophobicContact CG-CD2 3.93Å; L231-Y235 HydrophobicContact CG-CE2 3.68Å; L231-Y235 PolarHBondContact O-N 2.99Å; L231-Y260 HydrophobicContact CD2-CE2 3.77Å
232	E	96.1	Very high	94.4	Very high	80 Å²	80	51 Å²	51	37%	0.374	29%	0.286	S	S	.	.	H	α-helix	trans	-61.7	-44.7	176.1	-174.4	174.2	-176	0	0	111.4	G228 L234 Y235 L236 L261	G228-E232 WeakPolarHBondContact O-CB 3.19Å; G228-E232 PolarHBondContact O-N 3.49Å; E232-L234 VanDerWaalsContact C-N 3.32Å; E232-L234 PolarHBondContact O-N 2.71Å; E232-Y235 PolarHBondContact O-N 2.87Å; E232-L236 HydrophobicContact CG-CD1 4.05Å; E232-L236 HydrophobicContact CG-CG 4.5Å; E232-L236 WeakPolarHBondContact O-CB 3.35Å; E232-L236 VanDerWaalsContact O-CG 3.27Å; E232-L236 WeakPolarHBondContact O-CG 3.41Å; E232-L236 PolarHBondContact O-N 3.41Å; E232-L261 HydrophobicContact CG-CD2 3.86Å
233	R	97.2	Very high	93.7	Very high	78 Å²	78	54.1 Å²	54.1	29%	0.294	31%	0.305	S	S	.	.	H	α-helix	trans	-60.7	-40.9	175.1	-171.9	-177	-61.3	108.9	1.4	112.1	V229 N230 L236 S237	V229-R233 WeakPolarHBondContact O-CB 3.5Å; V229-R233 PolarHBondContact O-N 3.49Å; N230-R233 PolarHBondContact O-N 2.79Å; N230-R233 PolarHBondContact OD1-NH1 3.07Å; R233-L236 PolarHBondContact O-N 3.37Å; R233-S237 PolarHBondContact O-N 3.37Å; R233-S237 VanDerWaalsContact O-N 3.16Å
234	L	97.2	Very high	92.9	Very high	12 Å²	12	52.1 Å²	52.1	6%	0.063	29%	0.292	C	S	.	.	H	α-helix	trans	-61.6	-50.6	176.4	178.4	68.1	0	0	0	110.7	K207 A210 A211 Y214 N230 L231 E232 L236 S237	K207-L234 HydrophobicContact CB-CD1 4.09Å; K207-L234 HydrophobicContact CD-CD1 4.43Å; K207-L234 HydrophobicContact CG-CD1 4.02Å; K207-L234 WeakPolarHBondContact O-CD2 3.46Å; A210-L234 HydrophobicContact CB-CD2 4.02Å; A211-L234 HydrophobicContact CB-CD2 3.79Å; Y214-L234 HydrophobicContact CD2-CD2 4.37Å; Y214-L234 HydrophobicContact CE2-CD2 4.45Å; N230-L234 WeakPolarHBondContact O-CB 3.32Å; N230-L234 PolarHBondContact O-N 3.15Å; L231-L234 WeakPolarHBondContact O-CB 3.44Å; L231-L234 PolarHBondContact O-N 3.15Å; E232-L234 VanDerWaalsContact C-N 3.32Å; E232-L234 PolarHBondContact O-N 2.71Å; L234-L236 VanDerWaalsContact C-N 3.33Å; L234-L236 PolarHBondContact O-N 2.75Å; L234-S237 WeakPolarHBondContact O-CB 3.43Å; L234-S237 PolarHBondContact O-N 3.04Å; L234-S237 PolarHBondContact O-OG 2.88Å
235	Y	96.6	Very high	91.8	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.008	32%	0.317	C	S	.	.	H	α-helix	trans	-64.8	-34.8	178.3	-74	-43.8	0	0	0	112.9	L231 E232 S237 I238 L253 Q256 A257 Y260	L231-Y235 HydrophobicContact CD1-CD2 4Å; L231-Y235 HydrophobicContact CD1-CE2 3.5Å; L231-Y235 HydrophobicContact CD2-CE2 4.17Å; L231-Y235 HydrophobicContact CG-CD2 3.93Å; L231-Y235 HydrophobicContact CG-CE2 3.68Å; L231-Y235 PolarHBondContact O-N 2.99Å; E232-Y235 PolarHBondContact O-N 2.87Å; Y235-S237 PolarHBondContact O-N 3.25Å; Y235-I238 PolarHBondContact O-N 2.83Å; Y235-L253 HydrophobicContact CE1-CD2 4.16Å; Y235-Q256 HydrophobicContact CE1-CB 3.91Å; Y235-Q256 PolarHBondContact OH-OE1 3.5Å; Y235-A257 HydrophobicContact CD1-CB 3.7Å; Y235-A257 HydrophobicContact CG-CB 4.08Å; Y235-Y260 AromaticContact CD2-CD1 3.56Å; Y235-Y260 HydrophobicContact CD2-CD1 3.56Å; Y235-Y260 HydrophobicContact CD2-CD2 4.23Å; Y235-Y260 HydrophobicContact CD2-CE1 4.13Å; Y235-Y260 AromaticContact CD2-CG 3.63Å; Y235-Y260 HydrophobicContact CD2-CG 3.63Å; Y235-Y260 AromaticContact CE2-CD1 3.93Å; Y235-Y260 HydrophobicContact CE2-CD1 3.93Å; Y235-Y260 AromaticContact CE2-CD2 3.72Å; Y235-Y260 HydrophobicContact CE2-CD2 3.72Å; Y235-Y260 HydrophobicContact CE2-CE1 4.44Å; Y235-Y260 HydrophobicContact CE2-CE2 4.26Å; Y235-Y260 AromaticContact CE2-CG 3.55Å; Y235-Y260 HydrophobicContact CE2-CG 3.55Å
236	L	96.7	Very high	91	Very high	84 Å²	84	61 Å²	61	44%	0.44	32%	0.319	S	S	.	.	H	α-helix	trans	-65.3	-20.5	172.9	-75.4	168.7	0	0	0	113.2	E232 R233 L234 L261 R263	E232-L236 HydrophobicContact CG-CD1 4.05Å; E232-L236 HydrophobicContact CG-CG 4.5Å; E232-L236 WeakPolarHBondContact O-CB 3.35Å; E232-L236 VanDerWaalsContact O-CG 3.27Å; E232-L236 WeakPolarHBondContact O-CG 3.41Å; E232-L236 PolarHBondContact O-N 3.41Å; R233-L236 PolarHBondContact O-N 3.37Å; L234-L236 VanDerWaalsContact C-N 3.33Å; L234-L236 PolarHBondContact O-N 2.75Å; L236-L261 HydrophobicContact CD2-CD1 3.89Å; L236-L261 HydrophobicContact CG-CD1 4.04Å; L236-L261 HydrophobicContact CG-CD2 4.49Å; L236-R263 VanDerWaalsContact CD2-NH1 3.33Å
237	S	95	Very high	90.8	Very high	67 Å²	67	58.6 Å²	58.6	47%	0.469	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-7.4	176.6	79.6	0	0	0	0	114.1	R233 L234 Y235	R233-S237 PolarHBondContact O-N 3.37Å; R233-S237 VanDerWaalsContact O-N 3.16Å; L234-S237 WeakPolarHBondContact O-CB 3.43Å; L234-S237 PolarHBondContact O-N 3.04Å; L234-S237 PolarHBondContact O-OG 2.88Å; Y235-S237 PolarHBondContact O-N 3.25Å
238	I	95.1	Very high	90.4	Very high	11 Å²	11	59.2 Å²	59.2	6%	0.056	31%	0.312	C	S	.	.	S	Bend	trans	-81.5	123	176.7	-54.2	-58.2	0	0	0	108.5	K207 Y235 L240 L253 Q254 A257	K207-I238 HydrophobicContact CD-CD1 3.63Å; Y235-I238 PolarHBondContact O-N 2.83Å; I238-L240 PolarHBondContact O-N 3.19Å; I238-L253 HydrophobicContact CD1-CB 4.18Å; I238-L253 HydrophobicContact CD1-CD1 4.29Å; I238-L253 HydrophobicContact CG1-CB 4.4Å; I238-Q254 HydrophobicContact CG2-CB 4.47Å; I238-Q254 HydrophobicContact CG2-CG 3.77Å; I238-A257 HydrophobicContact CB-CB 4.19Å; I238-A257 HydrophobicContact CG1-CB 4.36Å; I238-A257 HydrophobicContact CG2-CB 4.49Å
239	D	93.5	Very high	90.2	Very high	83 Å²	83	60.5 Å²	60.5	44%	0.444	32%	0.318	S	S	.	.			trans	-74.5	113.9	170.6	-172	-8.9	0	0	0	109.2	N241 E242 Q254	D239-N241 VanDerWaalsContact C-N 3.26Å; D239-N241 PolarHBondContact O-N 3.08Å; D239-N241 PolarHBondContact OD1-N 3.43Å; D239-E242 HydrophobicContact CB-CB 3.9Å; D239-E242 PolarHBondContact OD1-N 3.31Å; D239-Q254 PolarHBondContact O-NE2 3.3Å
240	L	92.7	Very high	90	Very high	19 Å²	19	59 Å²	59	10%	0.099	31%	0.307	C	S	.	.	S	Bend	trans	-75.2	-15	179.6	-61.1	-179.4	0	0	0	113	I238 Q254 A257 A258 R263 Q264 I267	I238-L240 PolarHBondContact O-N 3.19Å; L240-Q254 HydrophobicContact CD2-CB 4.34Å; L240-Q254 WeakPolarHBondContact CD2-O 3.4Å; L240-A257 HydrophobicContact CD2-CB 3.89Å; L240-A258 HydrophobicContact CD1-CB 4.47Å; L240-A258 HydrophobicContact CD2-CB 4.3Å; L240-R263 HydrophobicContact CD1-CB 4.24Å; L240-Q264 HydrophobicContact CD1-CB 4.18Å; L240-Q264 HydrophobicContact CD1-CG 4.32Å; L240-I267 HydrophobicContact CB-CD1 4.29Å; L240-I267 WeakPolarHBondContact O-CD1 3.34Å
241	N	89.6	Confident	89.9	Confident	109 Å²	109	59 Å²	59	58%	0.583	31%	0.306	S	S	*	.	S	Bend	trans	-102	-8.4	-178	-63.9	-47.6	0	0	0	113.1	D239 T243 Q264	D239-N241 VanDerWaalsContact C-N 3.26Å; D239-N241 PolarHBondContact O-N 3.08Å; D239-N241 PolarHBondContact OD1-N 3.43Å; N241-T243 PolarHBondContact O-N 3.18Å; N241-Q264 PolarHBondContact OD1-OE1 3.12Å
242	E	87	Confident	89.8	Confident	101 Å²	101	59 Å²	59	47%	0.472	31%	0.306	S	S	.	.			trans	-65.1	124.2	178.6	-175.5	174.6	-178	0	0	110.2	D239 A244 H250 Q254	D239-E242 HydrophobicContact CB-CB 3.9Å; D239-E242 PolarHBondContact OD1-N 3.31Å; E242-A244 PolarHBondContact O-N 2.73Å; E242-H250 IonicContact OE2-CE1 3.16Å; E242-H250 PolarHBondContact OE2-CE1 2.73Å; E242-H250 IonicContact OE2-NE2 3.98Å; E242-Q254 PolarHBondContact O-NE2 2.87Å
243	T	78.5	Confident	89.8	Confident	105 Å²	105	55.5 Å²	55.5	64%	0.644	29%	0.29	S	S	*	.			trans	-84.1	94.4	176.4	54.5	0	0	0	0	109.7	N241 Y245	N241-T243 PolarHBondContact O-N 3.18Å; T243-Y245 PolarHBondContact O-N 3.39Å
244	A	76.4	Confident	89.7	Confident	19 Å²	19	52.3 Å²	52.3	16%	0.157	28%	0.279	C	S	.	.			trans	-95.5	89.1	174.2	0	0	0	0	0	110.9	E242 D246 H250 N251	E242-A244 PolarHBondContact O-N 2.73Å; A244-D246 PolarHBondContact O-N 2.77Å; A244-H250 HydrophobicContact CB-CB 3.88Å; A244-H250 WeakPolarHBondContact CB-CD2 3.33Å; A244-N251 PolarHBondContact O-ND2 2.87Å; A244-N251 PolarHBondContact O-OD1 3.5Å
245	Y	72.4	Confident	89.6	Confident	184 Å²	184	51.9 Å²	51.9	72%	0.722	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	126.6	171.9	-64.4	-83.3	0	0	0	109.4	T243 S247	T243-Y245 PolarHBondContact O-N 3.39Å; Y245-S247 PolarHBondContact O-N 3.23Å; Y245-S247 VanDerWaalsContact O-N 3.08Å
246	D	72.7	Confident	89.5	Confident	124 Å²	124	51.8 Å²	51.8	66%	0.663	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	18.6	173.2	-52.3	-25	0	0	0	117.3	A244	A244-D246 PolarHBondContact O-N 2.77Å
247	S	87.7	Confident	89.5	Confident	46 Å²	46	47.8 Å²	47.8	32%	0.322	26%	0.255	S	S	.	.			trans	-99.4	92.2	171.6	-176.7	0	0	0	0	111.1	Y245 H250 N251	Y245-S247 PolarHBondContact O-N 3.23Å; Y245-S247 VanDerWaalsContact O-N 3.08Å; S247-H250 PolarHBondContact O-N 3.17Å; S247-H250 WeakPolarHBondContact OG-CB 3.28Å; S247-N251 PolarHBondContact O-N 3.31Å; S247-N251 PolarHBondContact O-ND2 2.99Å; S247-N251 VanDerWaalsContact O-ND2 3.08Å
248	F	89	Confident	89.5	Confident	14 Å²	14	44.6 Å²	44.6	6%	0.061	23%	0.233	C	C	.	.	H	α-helix	trans	-55	-41.6	179.3	91.4	-97.6	0	0	0	113.6	L208 H250 N251 L252 M278 I279 H282 I288 I296	L208-F248 HydrophobicContact CD2-CE2 4.41Å; F248-H250 VanDerWaalsContact C-N 3.35Å; F248-H250 PolarHBondContact O-N 3.24Å; F248-N251 PolarHBondContact O-N 3.46Å; F248-L252 VanDerWaalsContact O-CB 3.23Å; F248-L252 WeakPolarHBondContact O-CB 3.27Å; F248-L252 PolarHBondContact O-N 2.93Å; F248-M278 HydrophobicContact CB-CG 4.11Å; F248-M278 HydrophobicContact CB-SD 3.84Å; F248-I279 HydrophobicContact CB-CG1 4.2Å; F248-I279 HydrophobicContact CD2-CG1 3.92Å; F248-I279 HydrophobicContact CG-CG1 4.36Å; F248-H282 HydrophobicContact CD1-CB 4.48Å; F248-H282 AromaticContact CD1-CD2 3.88Å; F248-I288 HydrophobicContact CD1-CD1 3.75Å; F248-I288 HydrophobicContact CD1-CG1 4.01Å; F248-I288 HydrophobicContact CD2-CD1 3.86Å; F248-I288 HydrophobicContact CE1-CD1 3.56Å; F248-I288 HydrophobicContact CE1-CG1 3.39Å; F248-I288 HydrophobicContact CE2-CD1 3.69Å; F248-I288 HydrophobicContact CE2-CG1 4.16Å; F248-I288 HydrophobicContact CG-CD1 3.92Å; F248-I288 HydrophobicContact CZ-CD1 3.53Å; F248-I288 HydrophobicContact CZ-CG1 3.47Å; F248-I288 VanDerWaalsContact CZ-CG1 3.47Å; F248-I296 HydrophobicContact CD2-CD1 4.16Å; F248-I296 HydrophobicContact CE2-CD1 3.74Å; F248-I296 HydrophobicContact CE2-CG1 4.48Å
249	P	91.1	Very high	89.4	Confident	42 Å²	42	44.1 Å²	44.1	27%	0.273	23%	0.23	S	C	.	.	H	α-helix	trans	-68.2	-38.5	-176.9	-14.6	28.6	0	0	0	111.1	L253	P249-L253 WeakPolarHBondContact O-CB 3.37Å; P249-L253 WeakPolarHBondContact O-CD1 3.35Å; P249-L253 WeakPolarHBondContact O-CG 3.26Å; P249-L253 PolarHBondContact O-N 3.46Å
250	H	92.1	Very high	89.4	Confident	32 Å²	32	40.5 Å²	40.5	15%	0.148	21%	0.211	C	C	.	.	H	α-helix	trans	-65.8	-50.1	178.1	-173.8	95.4	0	0	0	110.8	E242 A244 S247 F248 L252 L253 Q254	E242-H250 IonicContact OE2-CE1 3.16Å; E242-H250 PolarHBondContact OE2-CE1 2.73Å; E242-H250 IonicContact OE2-NE2 3.98Å; A244-H250 HydrophobicContact CB-CB 3.88Å; A244-H250 WeakPolarHBondContact CB-CD2 3.33Å; S247-H250 PolarHBondContact O-N 3.17Å; S247-H250 WeakPolarHBondContact OG-CB 3.28Å; F248-H250 VanDerWaalsContact C-N 3.35Å; F248-H250 PolarHBondContact O-N 3.24Å; H250-L252 VanDerWaalsContact C-N 3.31Å; H250-L252 PolarHBondContact O-N 3.41Å; H250-L253 PolarHBondContact O-N 3.49Å; H250-L253 VanDerWaalsContact O-N 3.13Å; H250-Q254 PolarHBondContact NE2-NE2 3.08Å; H250-Q254 WeakPolarHBondContact O-CG 3.38Å; H250-Q254 PolarHBondContact O-N 2.85Å
251	N	93.8	Very high	89.4	Confident	26 Å²	26	41.1 Å²	41.1	14%	0.139	21%	0.214	C	C	.	.	H	α-helix	trans	-62.5	-38	-180	-68.1	-38.5	0	0	0	112.2	A244 S247 F248 L255 V275	A244-N251 PolarHBondContact O-ND2 2.87Å; A244-N251 PolarHBondContact O-OD1 3.5Å; S247-N251 PolarHBondContact O-N 3.31Å; S247-N251 PolarHBondContact O-ND2 2.99Å; S247-N251 VanDerWaalsContact O-ND2 3.08Å; F248-N251 PolarHBondContact O-N 3.46Å; N251-L255 WeakPolarHBondContact O-CB 3.05Å; N251-L255 PolarHBondContact O-N 3.47Å; N251-L255 VanDerWaalsContact O-N 3.08Å; N251-V275 HydrophobicContact CB-CG2 3.83Å
252	L	95.6	Very high	89.5	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-47	172.4	177.4	66.3	0	0	0	111.7	L208 F248 H250 Q254 L255 Q256 V275 I279 I296 F330	L208-L252 HydrophobicContact CD1-CD2 3.91Å; L208-L252 HydrophobicContact CD2-CD2 4.38Å; F248-L252 VanDerWaalsContact O-CB 3.23Å; F248-L252 WeakPolarHBondContact O-CB 3.27Å; F248-L252 PolarHBondContact O-N 2.93Å; H250-L252 VanDerWaalsContact C-N 3.31Å; H250-L252 PolarHBondContact O-N 3.41Å; L252-Q254 VanDerWaalsContact C-N 3.33Å; L252-Q254 PolarHBondContact O-N 2.79Å; L252-L255 PolarHBondContact O-N 2.91Å; L252-Q256 HydrophobicContact CD1-CG 4.12Å; L252-Q256 HydrophobicContact CG-CG 4.34Å; L252-Q256 WeakPolarHBondContact O-CB 3.42Å; L252-Q256 VanDerWaalsContact O-CG 3.28Å; L252-Q256 WeakPolarHBondContact O-CG 3.41Å; L252-Q256 PolarHBondContact O-N 2.99Å; L252-V275 HydrophobicContact CB-CG1 4.2Å; L252-V275 HydrophobicContact CD1-CG1 4.44Å; L252-I279 HydrophobicContact CD1-CD1 4.18Å; L252-I279 HydrophobicContact CD2-CD1 4.41Å; L252-I296 HydrophobicContact CD1-CG2 4.34Å; L252-I296 HydrophobicContact CD2-CB 4.01Å; L252-I296 HydrophobicContact CD2-CD1 4.24Å; L252-I296 HydrophobicContact CD2-CG1 3.56Å; L252-I296 HydrophobicContact CD2-CG2 3.75Å; L252-F330 HydrophobicContact CD1-CE1 4.29Å; L252-F330 HydrophobicContact CD1-CE2 4.23Å; L252-F330 HydrophobicContact CD1-CZ 3.67Å
253	L	95.6	Very high	89.8	Confident	7 Å²	7	42.2 Å²	42.2	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-65.7	-35.3	-180	-74.8	169.3	0	0	0	112.3	K207 L208 Y235 I238 P249 H250 Q256 A257	K207-L253 HydrophobicContact CB-CD1 3.5Å; L208-L253 HydrophobicContact CD1-CD2 4.49Å; Y235-L253 HydrophobicContact CE1-CD2 4.16Å; I238-L253 HydrophobicContact CD1-CB 4.18Å; I238-L253 HydrophobicContact CD1-CD1 4.29Å; I238-L253 HydrophobicContact CG1-CB 4.4Å; P249-L253 WeakPolarHBondContact O-CB 3.37Å; P249-L253 WeakPolarHBondContact O-CD1 3.35Å; P249-L253 WeakPolarHBondContact O-CG 3.26Å; P249-L253 PolarHBondContact O-N 3.46Å; H250-L253 PolarHBondContact O-N 3.49Å; H250-L253 VanDerWaalsContact O-N 3.13Å; L253-Q256 PolarHBondContact O-N 3.42Å; L253-A257 WeakPolarHBondContact O-CB 3.44Å; L253-A257 PolarHBondContact O-N 3.4Å
254	Q	95	Very high	90.4	Very high	11 Å²	11	41.5 Å²	41.5	5%	0.051	20%	0.202	C	C	.	.	H	α-helix	trans	-62.9	-48.5	172.3	-75.1	-179.4	-39.3	0	0	111.4	I238 D239 L240 E242 H250 L252 Q256 A257 A258	I238-Q254 HydrophobicContact CG2-CB 4.47Å; I238-Q254 HydrophobicContact CG2-CG 3.77Å; D239-Q254 PolarHBondContact O-NE2 3.3Å; L240-Q254 HydrophobicContact CD2-CB 4.34Å; L240-Q254 WeakPolarHBondContact CD2-O 3.4Å; E242-Q254 PolarHBondContact O-NE2 2.87Å; H250-Q254 PolarHBondContact NE2-NE2 3.08Å; H250-Q254 WeakPolarHBondContact O-CG 3.38Å; H250-Q254 PolarHBondContact O-N 2.85Å; L252-Q254 VanDerWaalsContact C-N 3.33Å; L252-Q254 PolarHBondContact O-N 2.79Å; Q254-Q256 VanDerWaalsContact C-N 3.34Å; Q254-Q256 PolarHBondContact O-N 3.41Å; Q254-A257 PolarHBondContact O-N 2.86Å; Q254-A258 VanDerWaalsContact O-CB 3.31Å; Q254-A258 WeakPolarHBondContact O-CB 3.47Å; Q254-A258 PolarHBondContact O-N 3.21Å
255	L	95.1	Very high	91.2	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-57.4	-48.7	175.5	176	149.8	0	0	0	111	N251 L252 A258 L259 A268 F272 F330	N251-L255 WeakPolarHBondContact O-CB 3.05Å; N251-L255 PolarHBondContact O-N 3.47Å; N251-L255 VanDerWaalsContact O-N 3.08Å; L252-L255 PolarHBondContact O-N 2.91Å; L255-A258 PolarHBondContact O-N 3.37Å; L255-L259 HydrophobicContact CD2-CD1 3.6Å; L255-L259 HydrophobicContact CG-CD1 4.04Å; L255-L259 WeakPolarHBondContact O-CB 3.44Å; L255-L259 VanDerWaalsContact O-CG 3.23Å; L255-L259 WeakPolarHBondContact O-CG 3.06Å; L255-L259 PolarHBondContact O-N 3.42Å; L255-L259 VanDerWaalsContact O-N 3.08Å; L255-A268 HydrophobicContact CG-CB 4.15Å; L255-F272 VanDerWaalsContact CD1-CA 3.42Å; L255-F272 HydrophobicContact CD1-CB 3.43Å; L255-F272 VanDerWaalsContact CD1-CB 3.43Å; L255-F330 HydrophobicContact CD1-CD2 4.27Å
256	Q	95.4	Very high	92.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.3	-43.2	-179.4	-72.8	178.8	-10.8	0	0	111.9	Y235 L252 L253 Q254 A258 L259 Y260 T299	Y235-Q256 HydrophobicContact CE1-CB 3.91Å; Y235-Q256 PolarHBondContact OH-OE1 3.5Å; L252-Q256 HydrophobicContact CD1-CG 4.12Å; L252-Q256 HydrophobicContact CG-CG 4.34Å; L252-Q256 WeakPolarHBondContact O-CB 3.42Å; L252-Q256 VanDerWaalsContact O-CG 3.28Å; L252-Q256 WeakPolarHBondContact O-CG 3.41Å; L252-Q256 PolarHBondContact O-N 2.99Å; L253-Q256 PolarHBondContact O-N 3.42Å; Q254-Q256 VanDerWaalsContact C-N 3.34Å; Q254-Q256 PolarHBondContact O-N 3.41Å; Q256-A258 PolarHBondContact O-N 3Å; Q256-L259 PolarHBondContact O-N 3.09Å; Q256-Y260 WeakPolarHBondContact O-CB 3.47Å; Q256-Y260 PolarHBondContact O-N 3.25Å; Q256-T299 PolarHBondContact NE2-OG1 3.28Å
257	A	95.8	Very high	92.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-45	177.2	0	0	0	0	0	111.5	Y235 I238 L240 L253 Q254 L259 Y260 L261	Y235-A257 HydrophobicContact CD1-CB 3.7Å; Y235-A257 HydrophobicContact CG-CB 4.08Å; I238-A257 HydrophobicContact CB-CB 4.19Å; I238-A257 HydrophobicContact CG1-CB 4.36Å; I238-A257 HydrophobicContact CG2-CB 4.49Å; L240-A257 HydrophobicContact CD2-CB 3.89Å; L253-A257 WeakPolarHBondContact O-CB 3.44Å; L253-A257 PolarHBondContact O-N 3.4Å; Q254-A257 PolarHBondContact O-N 2.86Å; A257-L259 VanDerWaalsContact C-N 3.34Å; A257-L259 PolarHBondContact O-N 3.45Å; A257-Y260 PolarHBondContact O-N 3.23Å; A257-L261 VanDerWaalsContact O-CB 3.29Å; A257-L261 WeakPolarHBondContact O-CB 3.49Å; A257-L261 WeakPolarHBondContact O-CG 3.3Å; A257-L261 PolarHBondContact O-N 2.91Å
258	A	94.7	Very high	93.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.4	-44.3	177	0	0	0	0	0	112	L240 Q254 L255 Q256 D262 R263 A268	L240-A258 HydrophobicContact CD1-CB 4.47Å; L240-A258 HydrophobicContact CD2-CB 4.3Å; Q254-A258 VanDerWaalsContact O-CB 3.31Å; Q254-A258 WeakPolarHBondContact O-CB 3.47Å; Q254-A258 PolarHBondContact O-N 3.21Å; L255-A258 PolarHBondContact O-N 3.37Å; Q256-A258 PolarHBondContact O-N 3Å; A258-D262 WeakPolarHBondContact O-CA 3.47Å; A258-D262 PolarHBondContact O-N 2.76Å; A258-R263 WeakPolarHBondContact CA-O 3.44Å; A258-R263 WeakPolarHBondContact CB-O 3.36Å; A258-R263 PolarHBondContact O-N 3.02Å; A258-A268 HydrophobicContact CB-CB 4.26Å
259	L	94.3	Very high	93.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-75.8	-37	179.6	-64.8	172.8	0	0	0	113.2	L255 Q256 A257 V265 A268 R323 I326 L327	L255-L259 HydrophobicContact CD2-CD1 3.6Å; L255-L259 HydrophobicContact CG-CD1 4.04Å; L255-L259 WeakPolarHBondContact O-CB 3.44Å; L255-L259 VanDerWaalsContact O-CG 3.23Å; L255-L259 WeakPolarHBondContact O-CG 3.06Å; L255-L259 PolarHBondContact O-N 3.42Å; L255-L259 VanDerWaalsContact O-N 3.08Å; Q256-L259 PolarHBondContact O-N 3.09Å; A257-L259 VanDerWaalsContact C-N 3.34Å; A257-L259 PolarHBondContact O-N 3.45Å; L259-V265 HydrophobicContact CD2-CG1 4.2Å; L259-A268 HydrophobicContact CD1-CB 4.33Å; L259-A268 HydrophobicContact CD2-CB 3.94Å; L259-A268 HydrophobicContact CG-CB 3.89Å; L259-R323 HydrophobicContact CD2-CB 4.06Å; L259-R323 HydrophobicContact CD2-CG 4.13Å; L259-R323 PolarHBondContact O-NE 2.93Å; L259-R323 PolarHBondContact O-NH2 2.88Å; L259-I326 HydrophobicContact CD1-CG2 4.05Å; L259-I326 HydrophobicContact CD2-CB 4.08Å; L259-I326 HydrophobicContact CD2-CD1 4.2Å; L259-I326 HydrophobicContact CD2-CG2 4.03Å; L259-L327 HydrophobicContact CD1-CB 4.17Å; L259-L327 HydrophobicContact CD1-CD1 4.19Å
260	Y	93.8	Very high	93.4	Very high	8 Å²	8	38.2 Å²	38.2	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-73.2	-42	-177.4	-172.8	-82.7	0	0	0	111.8	L231 Y235 Q256 A257 R306	L231-Y260 HydrophobicContact CD2-CE2 3.77Å; Y235-Y260 AromaticContact CD2-CD1 3.56Å; Y235-Y260 HydrophobicContact CD2-CD1 3.56Å; Y235-Y260 HydrophobicContact CD2-CD2 4.23Å; Y235-Y260 HydrophobicContact CD2-CE1 4.13Å; Y235-Y260 AromaticContact CD2-CG 3.63Å; Y235-Y260 HydrophobicContact CD2-CG 3.63Å; Y235-Y260 AromaticContact CE2-CD1 3.93Å; Y235-Y260 HydrophobicContact CE2-CD1 3.93Å; Y235-Y260 AromaticContact CE2-CD2 3.72Å; Y235-Y260 HydrophobicContact CE2-CD2 3.72Å; Y235-Y260 HydrophobicContact CE2-CE1 4.44Å; Y235-Y260 HydrophobicContact CE2-CE2 4.26Å; Y235-Y260 AromaticContact CE2-CG 3.55Å; Y235-Y260 HydrophobicContact CE2-CG 3.55Å; Q256-Y260 WeakPolarHBondContact O-CB 3.47Å; Q256-Y260 PolarHBondContact O-N 3.25Å; A257-Y260 PolarHBondContact O-N 3.23Å; Y260-R306 HydrophobicContact CD1-CG 4.29Å; Y260-R306 HydrophobicContact CD2-CB 3.67Å; Y260-R306 HydrophobicContact CD2-CG 3.65Å; Y260-R306 HydrophobicContact CE1-CG 4.22Å; Y260-R306 HydrophobicContact CE2-CB 3.53Å; Y260-R306 HydrophobicContact CE2-CG 3.56Å; Y260-R306 HydrophobicContact CG-CB 4.48Å; Y260-R306 HydrophobicContact CG-CG 4.01Å
261	L	92.8	Very high	93.4	Very high	31 Å²	31	39.7 Å²	39.7	16%	0.162	19%	0.19	C	C	.	.	H	α-helix	trans	-89	-7.1	-178.8	-60.2	175.5	0	0	0	113.9	E232 L236 A257 R263	E232-L261 HydrophobicContact CG-CD2 3.86Å; L236-L261 HydrophobicContact CD2-CD1 3.89Å; L236-L261 HydrophobicContact CG-CD1 4.04Å; L236-L261 HydrophobicContact CG-CD2 4.49Å; A257-L261 VanDerWaalsContact O-CB 3.29Å; A257-L261 WeakPolarHBondContact O-CB 3.49Å; A257-L261 WeakPolarHBondContact O-CG 3.3Å; A257-L261 PolarHBondContact O-N 2.91Å; L261-R263 HydrophobicContact CB-CB 4.49Å; L261-R263 HydrophobicContact CB-CG 4.13Å
262	D	91.8	Very high	93.4	Very high	92 Å²	92	39.7 Å²	39.7	49%	0.492	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	53.2	-172.7	-154.4	-12.9	0	0	0	112.4	A258 R323	A258-D262 WeakPolarHBondContact O-CA 3.47Å; A258-D262 PolarHBondContact O-N 2.76Å; D262-R323 VanDerWaalsContact CG-CD 3.41Å; D262-R323 WeakPolarHBondContact OD1-CD 3.28Å; D262-R323 WeakPolarHBondContact OD2-CD 3.42Å; D262-R323 IonicContact OD2-CZ 2.77Å; D262-R323 IonicContact OD2-NE 3.11Å; D262-R323 IonicContact OD2-NH1 3.57Å; D262-R323 PolarHBondContact OD2-NH1 3.33Å
263	R	92.1	Very high	93.4	Very high	141 Å²	141	42.8 Å²	42.8	53%	0.532	20%	0.203	S	C	.	.			trans	-134.3	129.6	-176.5	-69.2	-175.5	179.5	-167.3	0	110.7	L236 L240 A258 L261 V265	L236-R263 VanDerWaalsContact CD2-NH1 3.33Å; L240-R263 HydrophobicContact CD1-CB 4.24Å; A258-R263 WeakPolarHBondContact CA-O 3.44Å; A258-R263 WeakPolarHBondContact CB-O 3.36Å; A258-R263 PolarHBondContact O-N 3.02Å; L261-R263 HydrophobicContact CB-CB 4.49Å; L261-R263 HydrophobicContact CB-CG 4.13Å; R263-V265 PolarHBondContact O-N 3.18Å
264	Q	90.9	Very high	93.3	Very high	91 Å²	91	48.2 Å²	48.2	43%	0.425	23%	0.226	S	C	.	.			trans	51	44.1	177.4	-54.3	-171.2	65.4	0	0	113	L240 N241 D266 I267	L240-Q264 HydrophobicContact CD1-CB 4.18Å; L240-Q264 HydrophobicContact CD1-CG 4.32Å; N241-Q264 PolarHBondContact OD1-OE1 3.12Å; Q264-D266 PolarHBondContact O-N 3Å; Q264-I267 HydrophobicContact CB-CD1 3.87Å; Q264-I267 HydrophobicContact CB-CG1 4.24Å; Q264-I267 WeakPolarHBondContact O-CB 3.15Å; Q264-I267 PolarHBondContact O-N 2.8Å
265	V	92.8	Very high	93.3	Very high	15 Å²	15	47.9 Å²	47.9	9%	0.091	23%	0.225	C	C	.	.	H	α-helix	trans	-56.5	-24.9	-176.8	179.6	0	0	0	0	112.3	L259 R263 I267 A268 D269 R322 R323 I326	L259-V265 HydrophobicContact CD2-CG1 4.2Å; R263-V265 PolarHBondContact O-N 3.18Å; V265-I267 PolarHBondContact O-N 3.01Å; V265-A268 WeakPolarHBondContact O-CB 3.21Å; V265-A268 PolarHBondContact O-N 3.39Å; V265-A268 VanDerWaalsContact O-N 3.13Å; V265-D269 PolarHBondContact O-N 2.67Å; V265-R322 HydrophobicContact CG1-CG 4.3Å; V265-R323 HydrophobicContact CG1-CG 4.05Å; V265-R323 HydrophobicContact CG2-CG 3.89Å; V265-I326 HydrophobicContact CG1-CD1 3.43Å; V265-I326 VanDerWaalsContact CG1-CD1 3.43Å
266	D	93	Very high	93.4	Very high	79 Å²	79	47.7 Å²	47.7	42%	0.422	22%	0.224	S	C	.	.	H	α-helix	trans	-56.3	-32.5	172.9	-62.2	-68.5	0	0	0	114.1	Q264 K270 R322	Q264-D266 PolarHBondContact O-N 3Å; D266-K270 VanDerWaalsContact O-CG 3.28Å; D266-K270 WeakPolarHBondContact O-CG 3.31Å; D266-K270 PolarHBondContact O-N 2.71Å; D266-K270 VanDerWaalsContact O-N 3.12Å; D266-R322 IonicContact OD1-CZ 3.94Å; D266-R322 IonicContact OD1-NH1 3Å; D266-R322 PolarHBondContact OD1-NH1 3.07Å; D266-R322 IonicContact OD1-NH2 3.11Å; D266-R322 PolarHBondContact OD1-NH2 3.47Å; D266-R322 IonicContact OD2-NH1 3.33Å
267	I	89.1	Confident	93.4	Very high	35 Å²	35	52 Å²	52	18%	0.179	24%	0.244	C	C	.	.	H	α-helix	trans	-69	-44	177.9	-61.7	178.7	0	0	0	109.7	L240 Q264 V265 N271	L240-I267 HydrophobicContact CB-CD1 4.29Å; L240-I267 WeakPolarHBondContact O-CD1 3.34Å; Q264-I267 HydrophobicContact CB-CD1 3.87Å; Q264-I267 HydrophobicContact CB-CG1 4.24Å; Q264-I267 WeakPolarHBondContact O-CB 3.15Å; Q264-I267 PolarHBondContact O-N 2.8Å; V265-I267 PolarHBondContact O-N 3.01Å; I267-N271 WeakPolarHBondContact O-CB 3.48Å; I267-N271 PolarHBondContact O-N 3.13Å; I267-N271 PolarHBondContact O-ND2 3.01Å
268	A	92.7	Very high	93.3	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-63.8	-43.9	175.6	0	0	0	0	0	111	L255 A258 L259 V265 K270 N271 F272 I326	L255-A268 HydrophobicContact CG-CB 4.15Å; A258-A268 HydrophobicContact CB-CB 4.26Å; L259-A268 HydrophobicContact CD1-CB 4.33Å; L259-A268 HydrophobicContact CD2-CB 3.94Å; L259-A268 HydrophobicContact CG-CB 3.89Å; V265-A268 WeakPolarHBondContact O-CB 3.21Å; V265-A268 PolarHBondContact O-N 3.39Å; V265-A268 VanDerWaalsContact O-N 3.13Å; A268-K270 VanDerWaalsContact C-N 3.34Å; A268-K270 PolarHBondContact O-N 3.31Å; A268-N271 PolarHBondContact O-N 2.96Å; A268-F272 WeakPolarHBondContact O-CB 3.32Å; A268-F272 PolarHBondContact O-N 3.28Å; A268-I326 HydrophobicContact CB-CG2 4.06Å
269	D	93.7	Very high	93.4	Very high	62 Å²	62	52.5 Å²	52.5	33%	0.332	25%	0.247	S	C	.	.	H	α-helix	trans	-60.3	-41.2	-179.6	-160.1	18.4	0	0	0	112.8	V265 N271 F272 R322 I326	V265-D269 PolarHBondContact O-N 2.67Å; D269-N271 VanDerWaalsContact C-N 3.34Å; D269-N271 PolarHBondContact O-N 2.88Å; D269-F272 VanDerWaalsContact O-CD1 3.27Å; D269-F272 WeakPolarHBondContact O-CD1 3.1Å; D269-R322 IonicContact OD2-CZ 3.13Å; D269-R322 VanDerWaalsContact OD2-CZ 3.26Å; D269-R322 IonicContact OD2-NE 2.71Å; D269-R322 PolarHBondContact OD2-NE 3.4Å; D269-R322 IonicContact OD2-NH2 3.62Å; D269-R322 PolarHBondContact OD2-NH2 3.41Å; D269-I326 HydrophobicContact CB-CD1 3.54Å; D269-I326 HydrophobicContact CB-CG1 4.05Å
270	K	91.9	Very high	93.5	Very high	167 Å²	167	52.8 Å²	52.8	73%	0.726	25%	0.248	S	C	*	.	H	α-helix	trans	-72.4	-27.1	179.5	-71.7	171.4	-174.6	174.1	0	113.6	D266 A268	D266-K270 VanDerWaalsContact O-CG 3.28Å; D266-K270 WeakPolarHBondContact O-CG 3.31Å; D266-K270 PolarHBondContact O-N 2.71Å; D266-K270 VanDerWaalsContact O-N 3.12Å; A268-K270 VanDerWaalsContact C-N 3.34Å; A268-K270 PolarHBondContact O-N 3.31Å
271	N	91.1	Very high	93.5	Very high	64 Å²	64	57.5 Å²	57.5	34%	0.342	27%	0.271	S	S	.	.	H	α-helix	trans	-114.8	-13	-165.5	-68.2	-35.2	0	0	0	114.6	I267 A268 D269 E273 K274 V275	I267-N271 WeakPolarHBondContact O-CB 3.48Å; I267-N271 PolarHBondContact O-N 3.13Å; I267-N271 PolarHBondContact O-ND2 3.01Å; A268-N271 PolarHBondContact O-N 2.96Å; D269-N271 VanDerWaalsContact C-N 3.34Å; D269-N271 PolarHBondContact O-N 2.88Å; N271-E273 PolarHBondContact O-N 3.47Å; N271-K274 WeakPolarHBondContact O-CB 3.42Å; N271-K274 PolarHBondContact O-N 2.84Å; N271-V275 HydrophobicContact CB-CG2 4.44Å; N271-V275 WeakPolarHBondContact O-CG2 3.41Å; N271-V275 PolarHBondContact O-N 3.16Å
272	F	94.4	Very high	93.6	Very high	26 Å²	26	57.6 Å²	57.6	11%	0.114	27%	0.27	C	S	.	.	H	α-helix	trans	-58.6	-41.6	-170	78.1	-90.4	0	0	0	114.1	L255 A268 D269 V275 A276 I326 G329 F330	L255-F272 VanDerWaalsContact CD1-CA 3.42Å; L255-F272 HydrophobicContact CD1-CB 3.43Å; L255-F272 VanDerWaalsContact CD1-CB 3.43Å; A268-F272 WeakPolarHBondContact O-CB 3.32Å; A268-F272 PolarHBondContact O-N 3.28Å; D269-F272 VanDerWaalsContact O-CD1 3.27Å; D269-F272 WeakPolarHBondContact O-CD1 3.1Å; F272-V275 PolarHBondContact O-N 3.46Å; F272-A276 PolarHBondContact O-N 2.98Å; F272-I326 HydrophobicContact CB-CG2 3.88Å; F272-I326 HydrophobicContact CD1-CG2 3.86Å; F272-I326 HydrophobicContact CG-CG2 3.97Å; F272-G329 VanDerWaalsContact CE2-C 3.5Å; F272-F330 HydrophobicContact CB-CB 4.24Å; F272-F330 HydrophobicContact CD2-CB 4.05Å
273	E	95.2	Very high	93.7	Very high	64 Å²	64	53.4 Å²	53.4	30%	0.299	25%	0.248	S	C	.	.	H	α-helix	trans	-63.5	-45.8	176.2	-60.5	-169.2	151.6	0	0	110.5	N271 V275 A276 H277 V333	N271-E273 PolarHBondContact O-N 3.47Å; E273-V275 VanDerWaalsContact C-N 3.31Å; E273-V275 PolarHBondContact O-N 3.35Å; E273-A276 PolarHBondContact O-N 2.93Å; E273-H277 PolarHBondContact O-CD2 3.34Å; E273-H277 PolarHBondContact O-N 3.05Å; E273-V333 HydrophobicContact CG-CG2 4.28Å
274	K	93.9	Very high	93.8	Very high	121 Å²	121	50.9 Å²	50.9	53%	0.526	24%	0.242	S	C	.	.	H	α-helix	trans	-58.3	-42.5	177.3	-177.9	-176.6	175.8	-174.4	0	111.8	N271 M278	N271-K274 WeakPolarHBondContact O-CB 3.42Å; N271-K274 PolarHBondContact O-N 2.84Å; K274-M278 HydrophobicContact CG-CE 4.49Å; K274-M278 VanDerWaalsContact O-CB 3.29Å; K274-M278 WeakPolarHBondContact O-CB 3.14Å; K274-M278 PolarHBondContact O-N 3.31Å
275	V	95.3	Very high	93.9	Very high	4 Å²	4	52 Å²	52	2%	0.024	25%	0.25	C	S	.	.	H	α-helix	trans	-67.1	-42	178.6	177.4	0	0	0	0	111.1	N251 L252 N271 F272 E273 M278 I279 F330	N251-V275 HydrophobicContact CB-CG2 3.83Å; L252-V275 HydrophobicContact CB-CG1 4.2Å; L252-V275 HydrophobicContact CD1-CG1 4.44Å; N271-V275 HydrophobicContact CB-CG2 4.44Å; N271-V275 WeakPolarHBondContact O-CG2 3.41Å; N271-V275 PolarHBondContact O-N 3.16Å; F272-V275 PolarHBondContact O-N 3.46Å; E273-V275 VanDerWaalsContact C-N 3.31Å; E273-V275 PolarHBondContact O-N 3.35Å; V275-M278 PolarHBondContact O-N 3.32Å; V275-I279 HydrophobicContact CG1-CD1 3.88Å; V275-I279 WeakPolarHBondContact O-CD1 3.49Å; V275-I279 VanDerWaalsContact O-CG1 3.28Å; V275-I279 WeakPolarHBondContact O-CG1 3.18Å; V275-I279 PolarHBondContact O-N 2.66Å; V275-F330 HydrophobicContact CB-CE2 4.48Å; V275-F330 HydrophobicContact CG1-CE2 4.1Å
276	A	96.3	Very high	93.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-49.2	176.6	0	0	0	0	0	111.7	F272 E273 M278 I279 V280 F330 V333 L334	F272-A276 PolarHBondContact O-N 2.98Å; E273-A276 PolarHBondContact O-N 2.93Å; A276-M278 VanDerWaalsContact C-N 3.35Å; A276-M278 PolarHBondContact O-N 3.26Å; A276-I279 PolarHBondContact O-N 3.18Å; A276-V280 PolarHBondContact O-N 2.77Å; A276-V280 VanDerWaalsContact O-N 3.09Å; A276-F330 HydrophobicContact CB-CD2 3.93Å; A276-F330 HydrophobicContact CB-CE2 3.95Å; A276-V333 HydrophobicContact CB-CB 3.99Å; A276-V333 HydrophobicContact CB-CG1 3.59Å; A276-L334 HydrophobicContact CB-CB 4.49Å
277	H	95.4	Very high	93.9	Very high	90 Å²	90	54.9 Å²	54.9	42%	0.417	27%	0.273	S	S	.	.	H	α-helix	trans	-58.6	-45	176.4	-66.5	-44.4	0	0	0	112.1	E273 I279 V280 E281 D337	E273-H277 PolarHBondContact O-CD2 3.34Å; E273-H277 PolarHBondContact O-N 3.05Å; H277-I279 VanDerWaalsContact C-N 3.34Å; H277-I279 PolarHBondContact O-N 2.91Å; H277-V280 PolarHBondContact O-N 3.25Å; H277-E281 WeakPolarHBondContact O-CB 3.47Å; H277-E281 PolarHBondContact O-N 2.97Å; H277-D337 IonicContact CE1-OD1 3.58Å; H277-D337 IonicContact CE1-OD2 2.84Å; H277-D337 PolarHBondContact CE1-OD2 3.25Å; H277-D337 IonicContact CG-OD2 2.69Å; H277-D337 IonicContact ND1-OD1 2.78Å; H277-D337 IonicContact ND1-OD2 3.75Å; H277-D337 PolarHBondContact ND1-OD2 2.87Å
278	M	95	Very high	94.1	Very high	12 Å²	12	53.6 Å²	53.6	6%	0.059	27%	0.266	C	S	.	.	H	α-helix	trans	-60	-42.3	177.5	-175.7	-169.9	-48.1	0	0	112	F248 K274 V275 A276 E281 H282	F248-M278 HydrophobicContact CB-CG 4.11Å; F248-M278 HydrophobicContact CB-SD 3.84Å; K274-M278 HydrophobicContact CG-CE 4.49Å; K274-M278 VanDerWaalsContact O-CB 3.29Å; K274-M278 WeakPolarHBondContact O-CB 3.14Å; K274-M278 PolarHBondContact O-N 3.31Å; V275-M278 PolarHBondContact O-N 3.32Å; A276-M278 VanDerWaalsContact C-N 3.35Å; A276-M278 PolarHBondContact O-N 3.26Å; M278-E281 PolarHBondContact O-N 3.37Å; M278-H282 PolarHBondContact O-N 3.27Å; M278-H282 PolarHBondContact O-ND1 3.19Å
279	I	96.2	Very high	94	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.5	-47.6	176.9	-71.9	162.4	0	0	0	110.2	F248 L252 V275 A276 H277 H282 V283 I288 L293 I296 F330 L334	F248-I279 HydrophobicContact CB-CG1 4.2Å; F248-I279 HydrophobicContact CD2-CG1 3.92Å; F248-I279 HydrophobicContact CG-CG1 4.36Å; L252-I279 HydrophobicContact CD1-CD1 4.18Å; L252-I279 HydrophobicContact CD2-CD1 4.41Å; V275-I279 HydrophobicContact CG1-CD1 3.88Å; V275-I279 WeakPolarHBondContact O-CD1 3.49Å; V275-I279 VanDerWaalsContact O-CG1 3.28Å; V275-I279 WeakPolarHBondContact O-CG1 3.18Å; V275-I279 PolarHBondContact O-N 2.66Å; A276-I279 PolarHBondContact O-N 3.18Å; H277-I279 VanDerWaalsContact C-N 3.34Å; H277-I279 PolarHBondContact O-N 2.91Å; I279-H282 PolarHBondContact O-N 3.36Å; I279-V283 WeakPolarHBondContact O-CG2 3.34Å; I279-V283 PolarHBondContact O-N 3.06Å; I279-I288 HydrophobicContact CG2-CD1 4.07Å; I279-L293 HydrophobicContact CG2-CD1 3.99Å; I279-I296 HydrophobicContact CD1-CD1 4.15Å; I279-I296 HydrophobicContact CD1-CG2 4.09Å; I279-I296 HydrophobicContact CG1-CD1 4.17Å; I279-I296 HydrophobicContact CG2-CD1 3.66Å; I279-F330 HydrophobicContact CD1-CE2 4.1Å; I279-F330 HydrophobicContact CD1-CZ 3.93Å; I279-L334 HydrophobicContact CB-CD1 4.47Å; I279-L334 HydrophobicContact CG2-CD1 3.97Å
280	V	95.4	Very high	93.9	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.03	28%	0.279	C	S	.	.	H	α-helix	trans	-69.2	-35.3	-179.2	179.9	0	0	0	0	112.3	A276 H277 H282 V283 Q284 L334 D337 L338	A276-V280 PolarHBondContact O-N 2.77Å; A276-V280 VanDerWaalsContact O-N 3.09Å; H277-V280 PolarHBondContact O-N 3.25Å; V280-H282 VanDerWaalsContact C-N 3.32Å; V280-H282 PolarHBondContact O-N 3.49Å; V280-V283 WeakPolarHBondContact O-CB 3.37Å; V280-V283 PolarHBondContact O-N 3.35Å; V280-V283 VanDerWaalsContact O-N 3.16Å; V280-Q284 HydrophobicContact CG1-CG 4.35Å; V280-Q284 WeakPolarHBondContact O-CG 3.27Å; V280-Q284 PolarHBondContact O-N 3.34Å; V280-L334 HydrophobicContact CG2-CD1 3.7Å; V280-D337 HydrophobicContact CB-CB 3.82Å; V280-D337 HydrophobicContact CG1-CB 3.89Å; V280-D337 HydrophobicContact CG2-CB 3.52Å; V280-L338 HydrophobicContact CG2-CD2 4.21Å; V280-L338 HydrophobicContact CG2-CG 4.08Å
281	E	94.7	Very high	93.9	Very high	108 Å²	108	50.3 Å²	50.3	51%	0.505	25%	0.25	S	C	.	.	H	α-helix	trans	-56.7	-47.2	170.3	-177.8	-179.7	-173	0	0	111	H277 M278 V283 Q284 L285	H277-E281 WeakPolarHBondContact O-CB 3.47Å; H277-E281 PolarHBondContact O-N 2.97Å; M278-E281 PolarHBondContact O-N 3.37Å; E281-V283 VanDerWaalsContact C-N 3.31Å; E281-V283 PolarHBondContact O-N 2.92Å; E281-Q284 PolarHBondContact O-N 3.49Å; E281-L285 HydrophobicContact CG-CD1 4.13Å; E281-L285 WeakPolarHBondContact O-CB 3.46Å; E281-L285 VanDerWaalsContact O-CG 3.28Å; E281-L285 WeakPolarHBondContact O-CG 3.37Å; E281-L285 PolarHBondContact O-N 3.35Å
282	H	94.2	Very high	94.1	Very high	33 Å²	33	50 Å²	50	15%	0.153	25%	0.246	C	C	.	.	H	α-helix	trans	-67.4	-30	177.2	-75.3	68.2	0	0	0	113.2	F248 M278 I279 V280 C286 V287 I288	F248-H282 HydrophobicContact CD1-CB 4.48Å; F248-H282 AromaticContact CD1-CD2 3.88Å; M278-H282 PolarHBondContact O-N 3.27Å; M278-H282 PolarHBondContact O-ND1 3.19Å; I279-H282 PolarHBondContact O-N 3.36Å; V280-H282 VanDerWaalsContact C-N 3.32Å; V280-H282 PolarHBondContact O-N 3.49Å; H282-C286 PolarHBondContact O-N 3.24Å; H282-V287 HydrophobicContact CB-CB 4.38Å; H282-V287 PolarHBondContact O-N 2.7Å; H282-I288 HydrophobicContact CB-CD1 3.53Å; H282-I288 HydrophobicContact CB-CG1 3.77Å; H282-I288 PolarHBondContact O-N 3.06Å
283	V	94.7	Very high	94.2	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.018	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-49.8	170	167.8	0	0	0	0	109.8	I279 V280 E281 L285 C286 I288 L293 L338 F345 V350	I279-V283 WeakPolarHBondContact O-CG2 3.34Å; I279-V283 PolarHBondContact O-N 3.06Å; V280-V283 WeakPolarHBondContact O-CB 3.37Å; V280-V283 PolarHBondContact O-N 3.35Å; V280-V283 VanDerWaalsContact O-N 3.16Å; E281-V283 VanDerWaalsContact C-N 3.31Å; E281-V283 PolarHBondContact O-N 2.92Å; V283-L285 VanDerWaalsContact C-N 3.27Å; V283-L285 PolarHBondContact O-N 2.99Å; V283-C286 WeakPolarHBondContact O-CA 3.36Å; V283-C286 PolarHBondContact O-N 2.78Å; V283-I288 HydrophobicContact CG2-CB 4Å; V283-I288 HydrophobicContact CG2-CD1 4.28Å; V283-I288 HydrophobicContact CG2-CG2 3.97Å; V283-L293 HydrophobicContact CG2-CD1 4.18Å; V283-L293 HydrophobicContact CG2-CD2 4.08Å; V283-L338 HydrophobicContact CG1-CD2 4.35Å; V283-F345 HydrophobicContact CG1-CE1 3.72Å; V283-F345 HydrophobicContact CG1-CZ 4.09Å; V283-F345 WeakPolarHBondContact O-CZ 3.1Å; V283-V350 HydrophobicContact CG1-CG1 4.07Å
284	Q	93.8	Very high	94.2	Very high	89 Å²	89	45.9 Å²	45.9	42%	0.416	23%	0.227	S	C	.	.	H	α-helix	trans	-61.5	-33.5	178.5	-72.1	177.9	-18.8	0	0	112.9	V280 E281 C286 C341	V280-Q284 HydrophobicContact CG1-CG 4.35Å; V280-Q284 WeakPolarHBondContact O-CG 3.27Å; V280-Q284 PolarHBondContact O-N 3.34Å; E281-Q284 PolarHBondContact O-N 3.49Å; Q284-C286 PolarHBondContact O-N 3.25Å; Q284-C341 VanDerWaalsContact CG-SG 3.55Å; Q284-C341 PolarHBondContact NE2-SG 2.88Å
285	L	94.2	Very high	94.3	Very high	113 Å²	113	40.7 Å²	40.7	59%	0.592	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-0.3	173	-65.9	174.5	0	0	0	113.5	E281 V283 V287	E281-L285 HydrophobicContact CG-CD1 4.13Å; E281-L285 WeakPolarHBondContact O-CB 3.46Å; E281-L285 VanDerWaalsContact O-CG 3.28Å; E281-L285 WeakPolarHBondContact O-CG 3.37Å; E281-L285 PolarHBondContact O-N 3.35Å; V283-L285 VanDerWaalsContact C-N 3.27Å; V283-L285 PolarHBondContact O-N 2.99Å; L285-V287 HydrophobicContact CB-CG2 3.96Å; L285-V287 PolarHBondContact O-N 3.25Å
286	C	92.1	Very high	94.4	Very high	71 Å²	71	40.5 Å²	40.5	48%	0.48	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	27.1	-176.8	-61.6	0	0	0	0	113.8	H282 V283 Q284	H282-C286 PolarHBondContact O-N 3.24Å; V283-C286 WeakPolarHBondContact O-CA 3.36Å; V283-C286 PolarHBondContact O-N 2.78Å; Q284-C286 PolarHBondContact O-N 3.25Å
287	V	92.5	Very high	94.5	Very high	84 Å²	84	40.6 Å²	40.6	51%	0.509	20%	0.204	S	C	.	.			trans	-80.3	-43.1	174.9	177.3	0	0	0	0	109.9	H282 L285	H282-V287 HydrophobicContact CB-CB 4.38Å; H282-V287 PolarHBondContact O-N 2.7Å; L285-V287 HydrophobicContact CB-CG2 3.96Å; L285-V287 PolarHBondContact O-N 3.25Å
288	I	92.6	Very high	94.5	Very high	9 Å²	9	36.3 Å²	36.3	5%	0.046	18%	0.184	C	C	.	.	S	Bend	trans	-83	125.3	175.5	-70.1	174.2	0	0	0	109.3	F248 I279 H282 V283 E292 L293 I296	F248-I288 HydrophobicContact CD1-CD1 3.75Å; F248-I288 HydrophobicContact CD1-CG1 4.01Å; F248-I288 HydrophobicContact CD2-CD1 3.86Å; F248-I288 HydrophobicContact CE1-CD1 3.56Å; F248-I288 HydrophobicContact CE1-CG1 3.39Å; F248-I288 HydrophobicContact CE2-CD1 3.69Å; F248-I288 HydrophobicContact CE2-CG1 4.16Å; F248-I288 HydrophobicContact CG-CD1 3.92Å; F248-I288 HydrophobicContact CZ-CD1 3.53Å; F248-I288 HydrophobicContact CZ-CG1 3.47Å; F248-I288 VanDerWaalsContact CZ-CG1 3.47Å; I279-I288 HydrophobicContact CG2-CD1 4.07Å; H282-I288 HydrophobicContact CB-CD1 3.53Å; H282-I288 HydrophobicContact CB-CG1 3.77Å; H282-I288 PolarHBondContact O-N 3.06Å; V283-I288 HydrophobicContact CG2-CB 4Å; V283-I288 HydrophobicContact CG2-CD1 4.28Å; V283-I288 HydrophobicContact CG2-CG2 3.97Å; I288-E292 HydrophobicContact CG2-CB 3.97Å; I288-L293 HydrophobicContact CG2-CB 3.93Å; I288-I296 HydrophobicContact CD1-CD1 4.34Å
289	K	91.1	Very high	94.6	Very high	98 Å²	98	35.7 Å²	35.7	43%	0.426	18%	0.182	S	C	.	.			trans	-80.5	155.5	172.6	-63.5	176.2	-179.7	178	0	110.5	H291 E292 L293	K289-H291 VanDerWaalsContact CD-CE1 3.46Å; K289-H291 WeakPolarHBondContact CD-CE1 3.43Å; K289-H291 PolarHBondContact O-N 2.76Å; K289-H291 VanDerWaalsContact O-N 3.08Å; K289-E292 PolarHBondContact N-OE2 3.31Å; K289-E292 WeakPolarHBondContact O-CB 3.29Å; K289-E292 PolarHBondContact O-N 2.76Å; K289-L293 PolarHBondContact O-N 2.87Å; K289-L293 VanDerWaalsContact O-N 3.1Å
290	E	92.7	Very high	94.6	Very high	40 Å²	40	35.7 Å²	35.7	19%	0.187	18%	0.182	C	C	.	.	H	α-helix	trans	-50.2	-40.9	179.8	-174.2	174.4	-149.4	0	0	113.1	E292 L293 M294 V350 P351 N352 V353	E290-E292 PolarHBondContact O-N 3.02Å; E290-L293 PolarHBondContact O-N 3.48Å; E290-M294 PolarHBondContact O-N 3.32Å; E290-V350 VanDerWaalsContact OE1-C 3.25Å; E290-P351 WeakPolarHBondContact OE1-CD 3.4Å; E290-P351 VanDerWaalsContact OE1-N 3.12Å; E290-N352 WeakPolarHBondContact OE1-CA 3.21Å; E290-N352 WeakPolarHBondContact OE1-CB 3.3Å; E290-N352 PolarHBondContact OE1-N 3.11Å; E290-N352 PolarHBondContact OE1-ND2 3.16Å; E290-N352 VanDerWaalsContact OE1-ND2 3.08Å; E290-N352 PolarHBondContact OE2-ND2 2.57Å; E290-V353 HydrophobicContact CG-CG2 3.89Å; E290-V353 WeakPolarHBondContact O-CG2 3.44Å
291	H	91.6	Very high	94.7	Very high	23 Å²	23	35.7 Å²	35.7	11%	0.106	18%	0.181	C	C	.	.	H	α-helix	trans	-68.8	-33.3	179.6	67.2	-96.5	0	0	0	114.2	K289 M294 Q295 T705 W707	K289-H291 VanDerWaalsContact CD-CE1 3.46Å; K289-H291 WeakPolarHBondContact CD-CE1 3.43Å; K289-H291 PolarHBondContact O-N 2.76Å; K289-H291 VanDerWaalsContact O-N 3.08Å; H291-M294 PolarHBondContact O-N 3.38Å; H291-Q295 VanDerWaalsContact O-CG 3.29Å; H291-Q295 WeakPolarHBondContact O-CG 3.46Å; H291-Q295 PolarHBondContact O-N 3.43Å; H291-T705 PolarHBondContact CD2-OG1 2.91Å; H291-T705 PolarHBondContact CE1-OG1 2.04Å; H291-T705 VanDerWaalsContact CE1-OG1 3.32Å; H291-T705 PolarHBondContact NE2-OG1 2.88Å; H291-W707 HydrophobicContact CB-CB 3.78Å; H291-W707 HydrophobicContact CB-CD2 4.07Å; H291-W707 HydrophobicContact CB-CG 3.36Å; H291-W707 AromaticContact CG-CD1 3.98Å
292	E	94.6	Very high	94.6	Very high	57 Å²	57	30.5 Å²	30.5	27%	0.266	16%	0.157	S	C	.	.	H	α-helix	trans	-68.6	-42.1	174.8	-66.6	173.3	122.2	0	0	108.8	I288 K289 E290 M294 Q295 I296	I288-E292 HydrophobicContact CG2-CB 3.97Å; K289-E292 PolarHBondContact N-OE2 3.31Å; K289-E292 WeakPolarHBondContact O-CB 3.29Å; K289-E292 PolarHBondContact O-N 2.76Å; E290-E292 PolarHBondContact O-N 3.02Å; E292-M294 VanDerWaalsContact C-N 3.31Å; E292-M294 PolarHBondContact O-N 3.41Å; E292-Q295 WeakPolarHBondContact O-CA 3.12Å; E292-Q295 VanDerWaalsContact O-CB 3.3Å; E292-Q295 WeakPolarHBondContact O-CB 3.1Å; E292-Q295 PolarHBondContact O-N 2.92Å; E292-I296 WeakPolarHBondContact O-CG1 3.39Å; E292-I296 PolarHBondContact O-N 2.9Å
293	L	96.1	Very high	94.6	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-63	-36.8	173.7	-175	64.8	0	0	0	112.3	I279 V283 I288 K289 E290 Q295 I296 F297 L338 V350 V353	I279-L293 HydrophobicContact CG2-CD1 3.99Å; V283-L293 HydrophobicContact CG2-CD1 4.18Å; V283-L293 HydrophobicContact CG2-CD2 4.08Å; I288-L293 HydrophobicContact CG2-CB 3.93Å; K289-L293 PolarHBondContact O-N 2.87Å; K289-L293 VanDerWaalsContact O-N 3.1Å; E290-L293 PolarHBondContact O-N 3.48Å; L293-Q295 VanDerWaalsContact C-N 3.33Å; L293-Q295 PolarHBondContact O-N 3.23Å; L293-I296 HydrophobicContact CD1-CD1 4.17Å; L293-I296 WeakPolarHBondContact O-CB 3.28Å; L293-I296 PolarHBondContact O-N 2.72Å; L293-F297 PolarHBondContact O-N 2.57Å; L293-L338 HydrophobicContact CD2-CD1 4.45Å; L293-L338 HydrophobicContact CD2-CD2 4.01Å; L293-V350 HydrophobicContact CD2-CB 3.96Å; L293-V350 HydrophobicContact CD2-CG1 3.58Å; L293-V350 HydrophobicContact CD2-CG2 4.48Å; L293-V353 HydrophobicContact CB-CG2 4.11Å; L293-V353 HydrophobicContact CD2-CB 4.04Å; L293-V353 HydrophobicContact CD2-CG1 3.79Å; L293-V353 HydrophobicContact CD2-CG2 4.04Å; L293-V353 HydrophobicContact CG-CB 4.31Å; L293-V353 HydrophobicContact CG-CG1 3.76Å; L293-V353 HydrophobicContact CG-CG2 4.03Å
294	M	95.8	Very high	94.6	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-61.9	-40.4	170.6	-171	64	75.7	0	0	111.5	E290 H291 E292 F297 I298 N352 V353 T356 T412 W707	E290-M294 PolarHBondContact O-N 3.32Å; H291-M294 PolarHBondContact O-N 3.38Å; E292-M294 VanDerWaalsContact C-N 3.31Å; E292-M294 PolarHBondContact O-N 3.41Å; M294-F297 PolarHBondContact O-N 3.36Å; M294-F297 HydrophobicContact SD-CD1 4.45Å; M294-I298 HydrophobicContact CG-CG1 4.27Å; M294-I298 WeakPolarHBondContact O-CB 3.29Å; M294-I298 VanDerWaalsContact O-CG1 3.29Å; M294-I298 WeakPolarHBondContact O-CG1 3.47Å; M294-I298 PolarHBondContact O-N 3.33Å; M294-I298 HydrophobicContact SD-CG1 4.21Å; M294-N352 HydrophobicContact CE-CB 4.16Å; M294-V353 HydrophobicContact CB-CG2 4.1Å; M294-V353 HydrophobicContact CE-CB 4.49Å; M294-V353 HydrophobicContact CE-CG2 3.98Å; M294-T356 HydrophobicContact SD-CG2 4.44Å; M294-T412 HydrophobicContact CE-CG2 3.93Å; M294-W707 HydrophobicContact CG-CZ2 4.09Å
295	Q	97	Very high	94.5	Very high	13 Å²	13	28.2 Å²	28.2	6%	0.061	15%	0.147	C	C	.	.	H	α-helix	trans	-61.3	-43.4	173.7	-67.1	167.5	1.3	0	0	111.4	L208 Y212 H291 E292 L293 F297 I298 T299	L208-Q295 HydrophobicContact CD2-CB 4.48Å; L208-Q295 HydrophobicContact CG-CB 4.19Å; Y212-Q295 HydrophobicContact CD1-CG 4.1Å; Y212-Q295 HydrophobicContact CD2-CB 4.26Å; Y212-Q295 HydrophobicContact CD2-CG 3.94Å; Y212-Q295 HydrophobicContact CG-CB 4.23Å; Y212-Q295 HydrophobicContact CG-CG 3.67Å; H291-Q295 VanDerWaalsContact O-CG 3.29Å; H291-Q295 WeakPolarHBondContact O-CG 3.46Å; H291-Q295 PolarHBondContact O-N 3.43Å; E292-Q295 WeakPolarHBondContact O-CA 3.12Å; E292-Q295 VanDerWaalsContact O-CB 3.3Å; E292-Q295 WeakPolarHBondContact O-CB 3.1Å; E292-Q295 PolarHBondContact O-N 2.92Å; L293-Q295 VanDerWaalsContact C-N 3.33Å; L293-Q295 PolarHBondContact O-N 3.23Å; Q295-F297 VanDerWaalsContact C-N 3.35Å; Q295-F297 PolarHBondContact O-N 3.49Å; Q295-I298 PolarHBondContact O-N 2.82Å; Q295-T299 VanDerWaalsContact O-CB 3.3Å; Q295-T299 WeakPolarHBondContact O-CB 3.28Å; Q295-T299 WeakPolarHBondContact O-CG2 3.43Å; Q295-T299 PolarHBondContact O-N 3.21Å; Q295-T299 PolarHBondContact O-OG1 2.82Å
296	I	97.2	Very high	94.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.1	-48.6	174.8	-61.9	175.1	0	0	0	110.5	L208 F248 L252 I279 I288 E292 L293 T299 S300 F330 L334	L208-I296 HydrophobicContact CD2-CG1 4Å; F248-I296 HydrophobicContact CD2-CD1 4.16Å; F248-I296 HydrophobicContact CE2-CD1 3.74Å; F248-I296 HydrophobicContact CE2-CG1 4.48Å; L252-I296 HydrophobicContact CD1-CG2 4.34Å; L252-I296 HydrophobicContact CD2-CB 4.01Å; L252-I296 HydrophobicContact CD2-CD1 4.24Å; L252-I296 HydrophobicContact CD2-CG1 3.56Å; L252-I296 HydrophobicContact CD2-CG2 3.75Å; I279-I296 HydrophobicContact CD1-CD1 4.15Å; I279-I296 HydrophobicContact CD1-CG2 4.09Å; I279-I296 HydrophobicContact CG1-CD1 4.17Å; I279-I296 HydrophobicContact CG2-CD1 3.66Å; I288-I296 HydrophobicContact CD1-CD1 4.34Å; E292-I296 WeakPolarHBondContact O-CG1 3.39Å; E292-I296 PolarHBondContact O-N 2.9Å; L293-I296 HydrophobicContact CD1-CD1 4.17Å; L293-I296 WeakPolarHBondContact O-CB 3.28Å; L293-I296 PolarHBondContact O-N 2.72Å; I296-T299 PolarHBondContact O-OG1 3.32Å; I296-S300 WeakPolarHBondContact O-CB 3.36Å; I296-S300 PolarHBondContact O-N 3.19Å; I296-S300 VanDerWaalsContact O-N 3.07Å; I296-S300 PolarHBondContact O-OG 3.3Å; I296-F330 HydrophobicContact CG2-CZ 4.36Å; I296-L334 HydrophobicContact CG2-CD2 4.36Å
297	F	97	Very high	94.2	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	11%	0.111	C	C	.	.	H	α-helix	trans	-62.5	-52.4	-179.4	-179.1	-115.9	0	0	0	111.7	L293 M294 Q295 T299 S300 L301 L331 T356 F357 W360	L293-F297 PolarHBondContact O-N 2.57Å; M294-F297 PolarHBondContact O-N 3.36Å; M294-F297 HydrophobicContact SD-CD1 4.45Å; Q295-F297 VanDerWaalsContact C-N 3.35Å; Q295-F297 PolarHBondContact O-N 3.49Å; F297-T299 PolarHBondContact O-N 3.46Å; F297-S300 WeakPolarHBondContact O-CB 3.39Å; F297-S300 PolarHBondContact O-N 3.04Å; F297-S300 VanDerWaalsContact O-N 3.13Å; F297-L301 HydrophobicContact CD1-CD1 4.37Å; F297-L301 HydrophobicContact CE1-CD1 3.69Å; F297-L301 HydrophobicContact CE1-CG 4.16Å; F297-L301 HydrophobicContact CE2-CD2 3.89Å; F297-L301 HydrophobicContact CE2-CG 4.27Å; F297-L301 HydrophobicContact CZ-CD1 3.78Å; F297-L301 HydrophobicContact CZ-CD2 3.85Å; F297-L301 HydrophobicContact CZ-CG 4Å; F297-L301 WeakPolarHBondContact O-CG 3.38Å; F297-L301 PolarHBondContact O-N 3.05Å; F297-L331 HydrophobicContact CD2-CD2 4.4Å; F297-L331 HydrophobicContact CE2-CD2 4.47Å; F297-T356 HydrophobicContact CD1-CG2 4.35Å; F297-T356 HydrophobicContact CE1-CG2 3.91Å; F297-F357 HydrophobicContact CD2-CB 4.47Å; F297-F357 AromaticContact CD2-CD2 3.59Å; F297-F357 HydrophobicContact CD2-CD2 3.59Å; F297-F357 AromaticContact CD2-CE2 3.83Å; F297-F357 HydrophobicContact CD2-CE2 3.83Å; F297-F357 AromaticContact CD2-CG 3.97Å; F297-F357 HydrophobicContact CD2-CG 3.97Å; F297-F357 HydrophobicContact CD2-CZ 4.39Å; F297-F357 HydrophobicContact CE2-CB 4Å; F297-F357 AromaticContact CE2-CD1 3.7Å; F297-F357 HydrophobicContact CE2-CD1 3.7Å; F297-F357 AromaticContact CE2-CD2 3.55Å; F297-F357 HydrophobicContact CE2-CD2 3.55Å; F297-F357 AromaticContact CE2-CE1 3.95Å; F297-F357 HydrophobicContact CE2-CE1 3.95Å; F297-F357 AromaticContact CE2-CE2 3.83Å; F297-F357 HydrophobicContact CE2-CE2 3.83Å; F297-F357 AromaticContact CE2-CG 3.46Å; F297-F357 HydrophobicContact CE2-CG 3.46Å; F297-F357 VanDerWaalsContact CE2-CG 3.46Å; F297-F357 HydrophobicContact CE2-CZ 4Å; F297-F357 HydrophobicContact CZ-CB 4.07Å; F297-F357 HydrophobicContact CZ-CD1 4.18Å; F297-F357 HydrophobicContact CZ-CD2 4.44Å; F297-F357 AromaticContact CZ-CG 3.98Å; F297-F357 HydrophobicContact CZ-CG 3.98Å; F297-W360 HydrophobicContact CE1-CB 4.45Å; F297-W360 HydrophobicContact CE2-CD2 4.5Å; F297-W360 AromaticContact CE2-CE3 3.97Å; F297-W360 HydrophobicContact CE2-CE3 3.97Å; F297-W360 HydrophobicContact CE2-CZ3 4.42Å; F297-W360 HydrophobicContact CZ-CB 3.93Å; F297-W360 AromaticContact CZ-CD2 3.96Å; F297-W360 HydrophobicContact CZ-CD2 3.96Å; F297-W360 AromaticContact CZ-CE3 3.8Å; F297-W360 HydrophobicContact CZ-CE3 3.8Å; F297-W360 HydrophobicContact CZ-CG 4.01Å
298	I	96.1	Very high	93.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65.5	-37.1	-178	-63.8	-56.4	0	0	0	112.4	Y212 M294 Q295 S300 L301 G302 M416 F419 L422	Y212-I298 HydrophobicContact CD2-CB 3.87Å; Y212-I298 HydrophobicContact CD2-CG1 4.43Å; Y212-I298 HydrophobicContact CD2-CG2 3.77Å; Y212-I298 HydrophobicContact CE2-CB 4.01Å; Y212-I298 HydrophobicContact CE2-CG1 4.09Å; Y212-I298 HydrophobicContact CE2-CG2 3.91Å; M294-I298 HydrophobicContact CG-CG1 4.27Å; M294-I298 WeakPolarHBondContact O-CB 3.29Å; M294-I298 VanDerWaalsContact O-CG1 3.29Å; M294-I298 WeakPolarHBondContact O-CG1 3.47Å; M294-I298 PolarHBondContact O-N 3.33Å; M294-I298 HydrophobicContact SD-CG1 4.21Å; Q295-I298 PolarHBondContact O-N 2.82Å; I298-S300 VanDerWaalsContact C-N 3.29Å; I298-S300 PolarHBondContact O-N 2.79Å; I298-L301 HydrophobicContact CD1-CD1 4.27Å; I298-L301 PolarHBondContact O-N 3.08Å; I298-G302 PolarHBondContact O-N 3.08Å; I298-M416 HydrophobicContact CD1-CE 3.4Å; I298-M416 HydrophobicContact CG1-CE 3.85Å; I298-F419 HydrophobicContact CD1-CD1 4.47Å; I298-F419 HydrophobicContact CD1-CE1 3.87Å; I298-F419 HydrophobicContact CG2-CE1 4.08Å; I298-F419 HydrophobicContact CG2-CE2 4.36Å; I298-F419 HydrophobicContact CG2-CZ 3.68Å; I298-L422 HydrophobicContact CD1-CD1 4.22Å
299	T	97.2	Very high	93.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.5	-35.2	174.8	51.7	0	0	0	0	112.2	L208 A211 L215 Q256 Q295 I296 F297 G302 C303	L208-T299 HydrophobicContact CD1-CG2 4.16Å; A211-T299 HydrophobicContact CB-CG2 3.96Å; L215-T299 VanDerWaalsContact CD1-CA 3.48Å; L215-T299 HydrophobicContact CD1-CG2 4.03Å; Q256-T299 PolarHBondContact NE2-OG1 3.28Å; Q295-T299 VanDerWaalsContact O-CB 3.3Å; Q295-T299 WeakPolarHBondContact O-CB 3.28Å; Q295-T299 WeakPolarHBondContact O-CG2 3.43Å; Q295-T299 PolarHBondContact O-N 3.21Å; Q295-T299 PolarHBondContact O-OG1 2.82Å; I296-T299 PolarHBondContact O-OG1 3.32Å; F297-T299 PolarHBondContact O-N 3.46Å; T299-G302 PolarHBondContact O-N 3.29Å; T299-C303 PolarHBondContact O-N 3.16Å; T299-C303 PolarHBondContact O-SG 3.28Å
300	S	97	Very high	92.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-68.6	-38.6	174.1	-54.6	0	0	0	0	112.2	I296 F297 I298 C303 L304 F330	I296-S300 WeakPolarHBondContact O-CB 3.36Å; I296-S300 PolarHBondContact O-N 3.19Å; I296-S300 VanDerWaalsContact O-N 3.07Å; I296-S300 PolarHBondContact O-OG 3.3Å; F297-S300 WeakPolarHBondContact O-CB 3.39Å; F297-S300 PolarHBondContact O-N 3.04Å; F297-S300 VanDerWaalsContact O-N 3.13Å; I298-S300 VanDerWaalsContact C-N 3.29Å; I298-S300 PolarHBondContact O-N 2.79Å; S300-C303 PolarHBondContact O-N 3.13Å; S300-L304 PolarHBondContact O-N 3.03Å; S300-F330 WeakPolarHBondContact OG-CE1 3.37Å
301	L	95.7	Very high	90.9	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-63.4	-40.7	172.6	-62.1	-164.5	0	0	0	112.3	F297 I298 L304 Q305 W360 L421 L422	F297-L301 HydrophobicContact CD1-CD1 4.37Å; F297-L301 HydrophobicContact CE1-CD1 3.69Å; F297-L301 HydrophobicContact CE1-CG 4.16Å; F297-L301 HydrophobicContact CE2-CD2 3.89Å; F297-L301 HydrophobicContact CE2-CG 4.27Å; F297-L301 HydrophobicContact CZ-CD1 3.78Å; F297-L301 HydrophobicContact CZ-CD2 3.85Å; F297-L301 HydrophobicContact CZ-CG 4Å; F297-L301 WeakPolarHBondContact O-CG 3.38Å; F297-L301 PolarHBondContact O-N 3.05Å; I298-L301 HydrophobicContact CD1-CD1 4.27Å; I298-L301 PolarHBondContact O-N 3.08Å; L301-L304 WeakPolarHBondContact O-CB 3.42Å; L301-L304 PolarHBondContact O-N 2.87Å; L301-Q305 PolarHBondContact O-N 2.94Å; L301-W360 HydrophobicContact CD1-CD2 4.33Å; L301-W360 HydrophobicContact CD1-CG 4.05Å; L301-W360 HydrophobicContact CD2-CD2 3.66Å; L301-W360 HydrophobicContact CD2-CE3 4.03Å; L301-W360 HydrophobicContact CD2-CG 4.27Å; L301-W360 HydrophobicContact CD2-CH2 3.85Å; L301-W360 HydrophobicContact CD2-CZ2 3.47Å; L301-W360 VanDerWaalsContact CD2-CZ2 3.47Å; L301-W360 HydrophobicContact CD2-CZ3 4.1Å; L301-L421 HydrophobicContact CB-CD1 4.04Å; L301-L422 HydrophobicContact CD1-CD2 4.18Å
302	G	94.3	Very high	89	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.4	-40.5	175	0	0	0	0	0	113	I298 T299 L304 Q305 R306	I298-G302 PolarHBondContact O-N 3.08Å; T299-G302 PolarHBondContact O-N 3.29Å; G302-L304 VanDerWaalsContact C-N 3.31Å; G302-L304 PolarHBondContact O-N 3.44Å; G302-Q305 PolarHBondContact O-N 3.4Å; G302-R306 WeakPolarHBondContact O-CB 3.39Å; G302-R306 PolarHBondContact O-N 3Å
303	C	94	Very high	86.8	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.5	-40.6	171.6	-68.2	0	0	0	0	111.6	T299 S300 R306 V307 L327	T299-C303 PolarHBondContact O-N 3.16Å; T299-C303 PolarHBondContact O-SG 3.28Å; S300-C303 PolarHBondContact O-N 3.13Å; C303-R306 WeakPolarHBondContact O-CB 3.18Å; C303-R306 PolarHBondContact O-N 3.42Å; C303-V307 WeakPolarHBondContact O-CG2 3.29Å; C303-V307 PolarHBondContact O-N 2.62Å; C303-L327 HydrophobicContact CB-CD1 4.34Å; C303-L327 HydrophobicContact CB-CD2 3.85Å
304	L	93.4	Very high	84.8	Confident	7 Å²	7	40.2 Å²	40.2	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-64.2	-47.5	178.2	-179.1	67.1	0	0	0	110.2	S300 L301 G302 R306 V307 M308 L324 L327 V328 W360 W365	S300-L304 PolarHBondContact O-N 3.03Å; L301-L304 WeakPolarHBondContact O-CB 3.42Å; L301-L304 PolarHBondContact O-N 2.87Å; G302-L304 VanDerWaalsContact C-N 3.31Å; G302-L304 PolarHBondContact O-N 3.44Å; L304-R306 VanDerWaalsContact C-N 3.27Å; L304-R306 PolarHBondContact O-N 3.42Å; L304-V307 PolarHBondContact O-N 3.32Å; L304-M308 HydrophobicContact CD1-CG 4.19Å; L304-M308 HydrophobicContact CG-CG 4.3Å; L304-M308 WeakPolarHBondContact O-CB 3.46Å; L304-M308 WeakPolarHBondContact O-CG 3.29Å; L304-M308 PolarHBondContact O-N 2.87Å; L304-L324 HydrophobicContact CD1-CD1 3.41Å; L304-L324 VanDerWaalsContact CD1-CD1 3.41Å; L304-L327 HydrophobicContact CB-CD2 3.6Å; L304-L327 HydrophobicContact CD1-CD2 4.08Å; L304-L327 HydrophobicContact CG-CD2 4.46Å; L304-V328 HydrophobicContact CD1-CG2 4.39Å; L304-W360 HydrophobicContact CD2-CH2 3.94Å; L304-W360 HydrophobicContact CD2-CZ2 3.49Å; L304-W360 VanDerWaalsContact CD2-CZ2 3.49Å; L304-W365 HydrophobicContact CD1-CH2 4.44Å; L304-W365 HydrophobicContact CD1-CZ2 4.22Å; L304-W365 HydrophobicContact CD2-CD2 3.89Å; L304-W365 HydrophobicContact CD2-CE3 4.12Å; L304-W365 HydrophobicContact CD2-CG 4.31Å; L304-W365 HydrophobicContact CD2-CZ2 4.3Å; L304-W365 HydrophobicContact CD2-CZ3 4.43Å
305	Q	91.9	Very high	83.1	Confident	70 Å²	70	42.6 Å²	42.6	33%	0.327	22%	0.221	S	C	.	.	H	α-helix	trans	-57.8	-41.7	175.6	-174	64.4	17.3	0	0	111.5	L301 G302 M308 T309 L421	L301-Q305 PolarHBondContact O-N 2.94Å; G302-Q305 PolarHBondContact O-N 3.4Å; Q305-M308 PolarHBondContact O-N 3.13Å; Q305-T309 HydrophobicContact CG-CG2 4.42Å; Q305-T309 WeakPolarHBondContact O-CB 3.47Å; Q305-T309 WeakPolarHBondContact O-CG2 3.41Å; Q305-T309 PolarHBondContact O-N 3.48Å; Q305-T309 PolarHBondContact O-OG1 3.46Å; Q305-L421 HydrophobicContact CB-CD1 4.12Å; Q305-L421 HydrophobicContact CB-CD2 3.93Å; Q305-L421 HydrophobicContact CG-CD2 3.73Å
306	R	90.7	Very high	81.2	Confident	83 Å²	83	45.2 Å²	45.2	31%	0.313	24%	0.235	S	C	.	.	H	α-helix	trans	-61.2	-50.2	175.4	-178.4	67.3	172.8	-178.4	-2.1	111.3	Y260 G302 C303 L304 M308 T309 T310	Y260-R306 HydrophobicContact CD1-CG 4.29Å; Y260-R306 HydrophobicContact CD2-CB 3.67Å; Y260-R306 HydrophobicContact CD2-CG 3.65Å; Y260-R306 HydrophobicContact CE1-CG 4.22Å; Y260-R306 HydrophobicContact CE2-CB 3.53Å; Y260-R306 HydrophobicContact CE2-CG 3.56Å; Y260-R306 HydrophobicContact CG-CB 4.48Å; Y260-R306 HydrophobicContact CG-CG 4.01Å; G302-R306 WeakPolarHBondContact O-CB 3.39Å; G302-R306 PolarHBondContact O-N 3Å; C303-R306 WeakPolarHBondContact O-CB 3.18Å; C303-R306 PolarHBondContact O-N 3.42Å; L304-R306 VanDerWaalsContact C-N 3.27Å; L304-R306 PolarHBondContact O-N 3.42Å; R306-M308 VanDerWaalsContact C-N 3.27Å; R306-M308 PolarHBondContact O-N 2.94Å; R306-T309 PolarHBondContact O-N 3.02Å; R306-T309 PolarHBondContact O-OG1 3.28Å; R306-T310 WeakPolarHBondContact O-CB 3.49Å; R306-T310 PolarHBondContact O-N 2.95Å; R306-T310 PolarHBondContact O-OG1 3.43Å
307	V	88.9	Confident	79.5	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.018	25%	0.25	C	S	.	.	H	α-helix	trans	-60.6	-39	178.3	173.6	0	0	0	0	111.3	C303 L304 R323 L324	C303-V307 WeakPolarHBondContact O-CG2 3.29Å; C303-V307 PolarHBondContact O-N 2.62Å; L304-V307 PolarHBondContact O-N 3.32Å; V307-R323 HydrophobicContact CG1-CB 4.04Å; V307-R323 HydrophobicContact CG2-CB 4.04Å; V307-L324 HydrophobicContact CG1-CB 3.99Å
308	M	85.5	Confident	78	Confident	24 Å²	24	49.2 Å²	49.2	12%	0.118	26%	0.258	C	S	.	.	H	α-helix	trans	-72.9	-26.2	180	-66.9	-58.3	-70.7	0	0	113.4	L304 Q305 R306 R318 W319 L324	L304-M308 HydrophobicContact CD1-CG 4.19Å; L304-M308 HydrophobicContact CG-CG 4.3Å; L304-M308 WeakPolarHBondContact O-CB 3.46Å; L304-M308 WeakPolarHBondContact O-CG 3.29Å; L304-M308 PolarHBondContact O-N 2.87Å; Q305-M308 PolarHBondContact O-N 3.13Å; R306-M308 VanDerWaalsContact C-N 3.27Å; R306-M308 PolarHBondContact O-N 2.94Å; M308-R318 VanDerWaalsContact O-CD 3.28Å; M308-R318 WeakPolarHBondContact O-CD 3.32Å; M308-R318 VanDerWaalsContact O-CZ 3.24Å; M308-R318 PolarHBondContact O-NE 2.98Å; M308-R318 VanDerWaalsContact O-NE 3.1Å; M308-R318 PolarHBondContact O-NH1 3.26Å; M308-R318 HydrophobicContact SD-CG 4.44Å; M308-W319 HydrophobicContact CE-CH2 3.76Å; M308-W319 HydrophobicContact CE-CZ2 3.78Å; M308-W319 HydrophobicContact CE-CZ3 4.31Å; M308-L324 HydrophobicContact SD-CD1 3.69Å; M308-L324 HydrophobicContact SD-CD2 4Å; M308-L324 HydrophobicContact SD-CG 4.47Å
309	T	82.4	Confident	76.7	Confident	82 Å²	82	49.7 Å²	49.7	50%	0.503	26%	0.26	S	S	.	.	H	α-helix	trans	-97.4	-23.9	179.1	52.7	0	0	0	0	113.4	Q305 R306	Q305-T309 HydrophobicContact CG-CG2 4.42Å; Q305-T309 WeakPolarHBondContact O-CB 3.47Å; Q305-T309 WeakPolarHBondContact O-CG2 3.41Å; Q305-T309 PolarHBondContact O-N 3.48Å; Q305-T309 PolarHBondContact O-OG1 3.46Å; R306-T309 PolarHBondContact O-N 3.02Å; R306-T309 PolarHBondContact O-OG1 3.28Å
310	T	73.4	Confident	75.3	Confident	44 Å²	44	55.2 Å²	55.2	27%	0.27	29%	0.286	S	S	.	.	S	Bend	trans	-109.9	96.1	178.8	60.3	0	0	0	0	110.6	R306	R306-T310 WeakPolarHBondContact O-CB 3.49Å; R306-T310 PolarHBondContact O-N 2.95Å; R306-T310 PolarHBondContact O-OG1 3.43Å
311	G	58.8	Low	74.6	Confident	41 Å²	41	56.5 Å²	56.5	42%	0.423	30%	0.295	S	S	.	.	S	Bend	trans	-177.3	160.8	175.8	0	0	0	0	0	110.1	T313	G311-T313 PolarHBondContact O-N 2.87Å
312	E	51.1	Low	74.2	Confident	146 Å²	146	61.3 Å²	61.3	68%	0.682	31%	0.313	S	S	*	.			trans	-46.6	132.6	175.9	-69.7	-179.2	175.9	0	0	109.9	R314 A317	E312-R314 PolarHBondContact O-N 3.44Å; E312-A317 HydrophobicContact CB-CB 4.5Å
313	T	49.3	Very low	74.1	Confident	134 Å²	134	62 Å²	62	82%	0.822	32%	0.316	S	S	*	.	S	Bend	trans	-59.4	-8	-173.5	41	0	0	0	0	113.8	G311 T315	G311-T313 PolarHBondContact O-N 2.87Å; T313-T315 PolarHBondContact O-N 3.11Å
314	R	54.1	Low	74	Confident	190 Å²	190	62 Å²	62	72%	0.717	32%	0.316	S	S	*	.			trans	-77.7	106.7	169.7	-66.3	-175.1	179.9	-172.3	0.5	109.7	E312 I316 A317 R318	E312-R314 PolarHBondContact O-N 3.44Å; R314-I316 PolarHBondContact O-N 2.91Å; R314-A317 PolarHBondContact O-N 3.2Å; R314-R318 PolarHBondContact O-N 3.4Å
315	T	60.6	Low	73.9	Confident	53 Å²	53	64.2 Å²	64.2	33%	0.325	33%	0.325	S	S	.	.	H	α-helix	trans	-41.1	-39.1	175.6	48	0	0	0	0	113.4	T313 R318 W319	T313-T315 PolarHBondContact O-N 3.11Å; T315-R318 WeakPolarHBondContact O-CB 3.46Å; T315-R318 PolarHBondContact O-N 3.14Å; T315-W319 PolarHBondContact O-N 3.49Å; T315-W319 VanDerWaalsContact O-N 3.16Å
316	I	56.6	Low	74	Confident	68 Å²	68	61 Å²	61	35%	0.349	31%	0.31	S	S	.	.	H	α-helix	trans	-57.8	-54.3	178.6	-36.8	-173.3	0	0	0	112.7	R314 R318 W319 Q320 Y600 I604	R314-I316 PolarHBondContact O-N 2.91Å; I316-R318 PolarHBondContact O-N 3.26Å; I316-W319 PolarHBondContact O-N 3.5Å; I316-Q320 PolarHBondContact O-N 3.16Å; I316-Y600 HydrophobicContact CB-CE1 4.25Å; I316-Y600 HydrophobicContact CD1-CE2 4.4Å; I316-Y600 WeakPolarHBondContact CD1-OH 3.13Å; I316-Y600 HydrophobicContact CG1-CE1 3.82Å; I316-Y600 HydrophobicContact CG1-CE2 4.38Å; I316-Y600 VanDerWaalsContact CG1-CZ 3.47Å; I316-Y600 WeakPolarHBondContact CG1-OH 3.45Å; I316-Y600 HydrophobicContact CG2-CE1 4.36Å; I316-Y600 VanDerWaalsContact CG2-OH 3.26Å; I316-Y600 WeakPolarHBondContact CG2-OH 3.47Å; I316-I604 HydrophobicContact CG2-CD1 4.49Å
317	A	61.1	Low	74.1	Confident	40 Å²	40	57 Å²	57	33%	0.331	30%	0.295	S	S	.	.	H	α-helix	trans	-63	-31.7	-176.7	0	0	0	0	0	111.1	E312 R314 Q320 S321	E312-A317 HydrophobicContact CB-CB 4.5Å; R314-A317 PolarHBondContact O-N 3.2Å; A317-Q320 CarbonylContact O-C 3.51Å; A317-Q320 PolarHBondContact O-N 3.36Å; A317-S321 PolarHBondContact O-N 3.38Å
318	R	66.6	Low	74.4	Confident	45 Å²	45	56.9 Å²	56.9	17%	0.17	30%	0.295	C	S	.	.	H	α-helix	trans	-66.6	-46.9	175.2	-172.2	-174.6	-62.4	157.4	1.7	112.4	M308 R314 T315 I316 Q320 S321	M308-R318 VanDerWaalsContact O-CD 3.28Å; M308-R318 WeakPolarHBondContact O-CD 3.32Å; M308-R318 VanDerWaalsContact O-CZ 3.24Å; M308-R318 PolarHBondContact O-NE 2.98Å; M308-R318 VanDerWaalsContact O-NE 3.1Å; M308-R318 PolarHBondContact O-NH1 3.26Å; M308-R318 HydrophobicContact SD-CG 4.44Å; R314-R318 PolarHBondContact O-N 3.4Å; T315-R318 WeakPolarHBondContact O-CB 3.46Å; T315-R318 PolarHBondContact O-N 3.14Å; I316-R318 PolarHBondContact O-N 3.26Å; R318-Q320 VanDerWaalsContact C-N 3.26Å; R318-Q320 PolarHBondContact O-N 2.98Å; R318-S321 WeakPolarHBondContact O-CB 3.25Å; R318-S321 PolarHBondContact O-N 3.49Å
319	W	67.5	Low	74.9	Confident	9 Å²	9	56 Å²	56	3%	0.034	29%	0.292	C	S	.	.	H	α-helix	trans	-69.3	-26.9	178.2	-71.3	109.7	0	0	0	112.6	M308 T315 I316 S321 L324 H325 W365 K367 M371 E597 L601	M308-W319 HydrophobicContact CE-CH2 3.76Å; M308-W319 HydrophobicContact CE-CZ2 3.78Å; M308-W319 HydrophobicContact CE-CZ3 4.31Å; T315-W319 PolarHBondContact O-N 3.49Å; T315-W319 VanDerWaalsContact O-N 3.16Å; I316-W319 PolarHBondContact O-N 3.5Å; W319-S321 VanDerWaalsContact C-N 3.27Å; W319-L324 HydrophobicContact CD2-CD2 4.4Å; W319-L324 HydrophobicContact CE3-CD2 3.65Å; W319-L324 HydrophobicContact CZ3-CD2 4.08Å; W319-H325 PolarHBondContact O-CE1 3.41Å; W319-W365 HydrophobicContact CH2-CZ2 4.38Å; W319-W365 HydrophobicContact CZ3-CZ2 4.19Å; W319-K367 HydrophobicContact CH2-CB 4.27Å; W319-K367 HydrophobicContact CH2-CG 3.92Å; W319-K367 HydrophobicContact CZ3-CB 4.4Å; W319-K367 HydrophobicContact CZ3-CG 4.48Å; W319-M371 HydrophobicContact CE3-SD 4.15Å; W319-M371 HydrophobicContact CZ3-SD 3.85Å; W319-E597 HydrophobicContact CZ2-CB 4.31Å; W319-E597 HydrophobicContact CZ2-CG 4.41Å; W319-L601 HydrophobicContact CB-CD2 4.1Å; W319-L601 HydrophobicContact CD2-CD1 4.23Å; W319-L601 HydrophobicContact CD2-CD2 4.01Å; W319-L601 HydrophobicContact CD2-CG 4.43Å; W319-L601 HydrophobicContact CE3-CD1 4.13Å; W319-L601 HydrophobicContact CE3-CD2 4.2Å; W319-L601 HydrophobicContact CG-CD2 3.95Å; W319-L601 HydrophobicContact CH2-CD1 4.33Å; W319-L601 HydrophobicContact CZ2-CD1 4.4Å; W319-L601 HydrophobicContact CZ3-CD1 4.19Å
320	Q	67.9	Low	75.6	Confident	116 Å²	116	52.1 Å²	52.1	54%	0.542	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	2.7	171.3	-68.8	179.2	-26.5	0	0	113.2	I316 A317 R318 R322	I316-Q320 PolarHBondContact O-N 3.16Å; A317-Q320 CarbonylContact O-C 3.51Å; A317-Q320 PolarHBondContact O-N 3.36Å; R318-Q320 VanDerWaalsContact C-N 3.26Å; R318-Q320 PolarHBondContact O-N 2.98Å; Q320-R322 PolarHBondContact O-N 3.42Å
321	S	82.8	Confident	76.7	Confident	27 Å²	27	50 Å²	50	19%	0.189	26%	0.255	C	S	.	.			trans	-62	125.6	-179.5	179.1	0	0	0	0	110.3	A317 R318 W319 R323 L324 H325	A317-S321 PolarHBondContact O-N 3.38Å; R318-S321 WeakPolarHBondContact O-CB 3.25Å; R318-S321 PolarHBondContact O-N 3.49Å; W319-S321 VanDerWaalsContact C-N 3.27Å; S321-R323 PolarHBondContact O-N 2.89Å; S321-R323 PolarHBondContact OG-N 3.33Å; S321-L324 WeakPolarHBondContact O-CB 3.47Å; S321-L324 PolarHBondContact O-N 3.5Å; S321-L324 VanDerWaalsContact O-N 3.12Å; S321-H325 PolarHBondContact O-N 2.92Å; S321-H325 VanDerWaalsContact O-N 3.14Å; S321-H325 PolarHBondContact O-ND1 3.26Å
322	R	88.6	Confident	78.5	Confident	106 Å²	106	48.1 Å²	48.1	40%	0.4	24%	0.235	S	C	.	.	H	α-helix	trans	-56.2	-37.9	173.1	-172.3	176.2	177.7	-161.5	-0.1	111.3	V265 D266 D269 Q320 L324 H325 I326	V265-R322 HydrophobicContact CG1-CG 4.3Å; D266-R322 IonicContact OD1-CZ 3.94Å; D266-R322 IonicContact OD1-NH1 3Å; D266-R322 PolarHBondContact OD1-NH1 3.07Å; D266-R322 IonicContact OD1-NH2 3.11Å; D266-R322 PolarHBondContact OD1-NH2 3.47Å; D266-R322 IonicContact OD2-NH1 3.33Å; D269-R322 IonicContact OD2-CZ 3.13Å; D269-R322 VanDerWaalsContact OD2-CZ 3.26Å; D269-R322 IonicContact OD2-NE 2.71Å; D269-R322 PolarHBondContact OD2-NE 3.4Å; D269-R322 IonicContact OD2-NH2 3.62Å; D269-R322 PolarHBondContact OD2-NH2 3.41Å; Q320-R322 PolarHBondContact O-N 3.42Å; R322-L324 VanDerWaalsContact C-N 3.33Å; R322-L324 PolarHBondContact O-N 3.1Å; R322-H325 PolarHBondContact O-N 3.31Å; R322-I326 HydrophobicContact CG-CD1 3.88Å; R322-I326 HydrophobicContact CG-CG1 4.49Å; R322-I326 WeakPolarHBondContact O-CD1 3.37Å; R322-I326 VanDerWaalsContact O-CG1 3.25Å; R322-I326 WeakPolarHBondContact O-CG1 3.47Å; R322-I326 PolarHBondContact O-N 3.03Å
323	R	91.4	Very high	80.7	Confident	15 Å²	15	41.7 Å²	41.7	6%	0.057	21%	0.206	C	C	.	.	H	α-helix	trans	-60.7	-42.5	177.4	-66.8	162.1	62.9	-157	-5.5	112	L259 D262 V265 V307 S321 L327	L259-R323 HydrophobicContact CD2-CB 4.06Å; L259-R323 HydrophobicContact CD2-CG 4.13Å; L259-R323 PolarHBondContact O-NE 2.93Å; L259-R323 PolarHBondContact O-NH2 2.88Å; D262-R323 VanDerWaalsContact CG-CD 3.41Å; D262-R323 WeakPolarHBondContact OD1-CD 3.28Å; D262-R323 WeakPolarHBondContact OD2-CD 3.42Å; D262-R323 IonicContact OD2-CZ 2.77Å; D262-R323 IonicContact OD2-NE 3.11Å; D262-R323 IonicContact OD2-NH1 3.57Å; D262-R323 PolarHBondContact OD2-NH1 3.33Å; V265-R323 HydrophobicContact CG1-CG 4.05Å; V265-R323 HydrophobicContact CG2-CG 3.89Å; V307-R323 HydrophobicContact CG1-CB 4.04Å; V307-R323 HydrophobicContact CG2-CB 4.04Å; S321-R323 PolarHBondContact O-N 2.89Å; S321-R323 PolarHBondContact OG-N 3.33Å; R323-L327 WeakPolarHBondContact O-CB 3.32Å; R323-L327 PolarHBondContact O-N 3.29Å
324	L	91	Very high	83	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.6	-47.5	178.4	-178.5	63.6	0	0	0	110.5	L304 V307 M308 W319 S321 R322 I326 L327 V328 W365 M371	L304-L324 HydrophobicContact CD1-CD1 3.41Å; L304-L324 VanDerWaalsContact CD1-CD1 3.41Å; V307-L324 HydrophobicContact CG1-CB 3.99Å; M308-L324 HydrophobicContact SD-CD1 3.69Å; M308-L324 HydrophobicContact SD-CD2 4Å; M308-L324 HydrophobicContact SD-CG 4.47Å; W319-L324 HydrophobicContact CD2-CD2 4.4Å; W319-L324 HydrophobicContact CE3-CD2 3.65Å; W319-L324 HydrophobicContact CZ3-CD2 4.08Å; S321-L324 WeakPolarHBondContact O-CB 3.47Å; S321-L324 PolarHBondContact O-N 3.5Å; S321-L324 VanDerWaalsContact O-N 3.12Å; R322-L324 VanDerWaalsContact C-N 3.33Å; R322-L324 PolarHBondContact O-N 3.1Å; L324-I326 VanDerWaalsContact C-N 3.35Å; L324-I326 PolarHBondContact O-N 2.95Å; L324-L327 PolarHBondContact O-N 3.4Å; L324-V328 HydrophobicContact CD1-CG2 3.79Å; L324-V328 HydrophobicContact CG-CG2 4.17Å; L324-V328 VanDerWaalsContact O-CB 3.28Å; L324-V328 WeakPolarHBondContact O-CB 3.12Å; L324-V328 WeakPolarHBondContact O-CG2 3.25Å; L324-V328 PolarHBondContact O-N 2.87Å; L324-W365 HydrophobicContact CD1-CZ2 4.44Å; L324-M371 HydrophobicContact CD2-CE 3.93Å; L324-M371 HydrophobicContact CD2-SD 4.32Å; L324-M371 HydrophobicContact CG-CE 3.98Å; L324-M371 HydrophobicContact CG-SD 4.45Å
325	H	91.1	Very high	85	Confident	52 Å²	52	26.4 Å²	26.4	24%	0.241	13%	0.133	C	C	.	.	H	α-helix	trans	-59.1	-43.7	178.7	-73.8	88.1	0	0	0	112.6	W319 S321 R322 G329	W319-H325 PolarHBondContact O-CE1 3.41Å; S321-H325 PolarHBondContact O-N 2.92Å; S321-H325 VanDerWaalsContact O-N 3.14Å; S321-H325 PolarHBondContact O-ND1 3.26Å; R322-H325 PolarHBondContact O-N 3.31Å; H325-G329 PolarHBondContact O-N 3.39Å
326	I	94	Very high	86.7	Confident	3 Å²	3	24.3 Å²	24.3	2%	0.015	12%	0.12	C	C	.	.	H	α-helix	trans	-63.7	-47.9	178	-65.3	162.3	0	0	0	110.8	L259 V265 A268 D269 F272 R322 L324 G329 F330	L259-I326 HydrophobicContact CD1-CG2 4.05Å; L259-I326 HydrophobicContact CD2-CB 4.08Å; L259-I326 HydrophobicContact CD2-CD1 4.2Å; L259-I326 HydrophobicContact CD2-CG2 4.03Å; V265-I326 HydrophobicContact CG1-CD1 3.43Å; V265-I326 VanDerWaalsContact CG1-CD1 3.43Å; A268-I326 HydrophobicContact CB-CG2 4.06Å; D269-I326 HydrophobicContact CB-CD1 3.54Å; D269-I326 HydrophobicContact CB-CG1 4.05Å; F272-I326 HydrophobicContact CB-CG2 3.88Å; F272-I326 HydrophobicContact CD1-CG2 3.86Å; F272-I326 HydrophobicContact CG-CG2 3.97Å; R322-I326 HydrophobicContact CG-CD1 3.88Å; R322-I326 HydrophobicContact CG-CG1 4.49Å; R322-I326 WeakPolarHBondContact O-CD1 3.37Å; R322-I326 VanDerWaalsContact O-CG1 3.25Å; R322-I326 WeakPolarHBondContact O-CG1 3.47Å; R322-I326 PolarHBondContact O-N 3.03Å; L324-I326 VanDerWaalsContact C-N 3.35Å; L324-I326 PolarHBondContact O-N 2.95Å; I326-G329 PolarHBondContact O-N 3.3Å; I326-F330 WeakPolarHBondContact O-CB 3.37Å; I326-F330 PolarHBondContact O-N 2.87Å
327	L	94.6	Very high	88.5	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.9	-39.5	-177.4	-174	60.1	0	0	0	112.6	L259 C303 L304 R323 L324 F330 L331	L259-L327 HydrophobicContact CD1-CB 4.17Å; L259-L327 HydrophobicContact CD1-CD1 4.19Å; C303-L327 HydrophobicContact CB-CD1 4.34Å; C303-L327 HydrophobicContact CB-CD2 3.85Å; L304-L327 HydrophobicContact CB-CD2 3.6Å; L304-L327 HydrophobicContact CD1-CD2 4.08Å; L304-L327 HydrophobicContact CG-CD2 4.46Å; R323-L327 WeakPolarHBondContact O-CB 3.32Å; R323-L327 PolarHBondContact O-N 3.29Å; L324-L327 PolarHBondContact O-N 3.4Å; L327-F330 HydrophobicContact CD1-CD1 4.49Å; L327-F330 WeakPolarHBondContact O-CB 3.38Å; L327-F330 PolarHBondContact O-N 3.32Å; L327-L331 WeakPolarHBondContact O-CG 3.4Å; L327-L331 PolarHBondContact O-N 2.89Å
328	V	94.6	Very high	90.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-67.1	-41.9	174.9	171.1	0	0	0	0	110.3	L304 L324 F330 L331 Q332 W365 L368 M371	L304-V328 HydrophobicContact CD1-CG2 4.39Å; L324-V328 HydrophobicContact CD1-CG2 3.79Å; L324-V328 HydrophobicContact CG-CG2 4.17Å; L324-V328 VanDerWaalsContact O-CB 3.28Å; L324-V328 WeakPolarHBondContact O-CB 3.12Å; L324-V328 WeakPolarHBondContact O-CG2 3.25Å; L324-V328 PolarHBondContact O-N 2.87Å; V328-F330 VanDerWaalsContact C-N 3.35Å; V328-F330 PolarHBondContact O-N 2.86Å; V328-L331 PolarHBondContact O-N 3.37Å; V328-Q332 HydrophobicContact CG1-CG 4.29Å; V328-Q332 WeakPolarHBondContact O-CB 3.35Å; V328-Q332 WeakPolarHBondContact O-CG 3.36Å; V328-Q332 PolarHBondContact O-N 2.81Å; V328-W365 HydrophobicContact CG1-CZ3 4.49Å; V328-W365 HydrophobicContact CG2-CH2 3.45Å; V328-W365 VanDerWaalsContact CG2-CH2 3.45Å; V328-W365 HydrophobicContact CG2-CZ2 4.46Å; V328-W365 HydrophobicContact CG2-CZ3 3.88Å; V328-L368 HydrophobicContact CG1-CD1 4.3Å; V328-M371 HydrophobicContact CB-SD 4.47Å; V328-M371 HydrophobicContact CG1-CB 3.8Å; V328-M371 HydrophobicContact CG1-CE 4.44Å; V328-M371 HydrophobicContact CG1-SD 4.11Å; V328-M371 HydrophobicContact CG2-CE 4.27Å; V328-M371 HydrophobicContact CG2-SD 3.9Å
329	G	95.4	Very high	91.5	Very high	6 Å²	6	18.1 Å²	18.1	6%	0.062	9%	0.086	C	C	.	.	H	α-helix	trans	-57.9	-45.6	172.3	0	0	0	0	0	112.1	F272 H325 I326 L331 Q332 V333	F272-G329 VanDerWaalsContact CE2-C 3.5Å; H325-G329 PolarHBondContact O-N 3.39Å; I326-G329 PolarHBondContact O-N 3.3Å; G329-L331 PolarHBondContact O-N 3.49Å; G329-Q332 PolarHBondContact O-N 2.96Å; G329-V333 WeakPolarHBondContact O-CG2 3.48Å; G329-V333 PolarHBondContact O-N 3.4Å
330	F	96.8	Very high	92.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57	-49.7	174.4	172.7	-98.2	0	0	0	112.3	L252 L255 F272 V275 A276 I279 I296 S300 I326 L327 V328 Q332 V333 L334	L252-F330 HydrophobicContact CD1-CE1 4.29Å; L252-F330 HydrophobicContact CD1-CE2 4.23Å; L252-F330 HydrophobicContact CD1-CZ 3.67Å; L255-F330 HydrophobicContact CD1-CD2 4.27Å; F272-F330 HydrophobicContact CB-CB 4.24Å; F272-F330 HydrophobicContact CD2-CB 4.05Å; V275-F330 HydrophobicContact CB-CE2 4.48Å; V275-F330 HydrophobicContact CG1-CE2 4.1Å; A276-F330 HydrophobicContact CB-CD2 3.93Å; A276-F330 HydrophobicContact CB-CE2 3.95Å; I279-F330 HydrophobicContact CD1-CE2 4.1Å; I279-F330 HydrophobicContact CD1-CZ 3.93Å; I296-F330 HydrophobicContact CG2-CZ 4.36Å; S300-F330 WeakPolarHBondContact OG-CE1 3.37Å; I326-F330 WeakPolarHBondContact O-CB 3.37Å; I326-F330 PolarHBondContact O-N 2.87Å; L327-F330 HydrophobicContact CD1-CD1 4.49Å; L327-F330 WeakPolarHBondContact O-CB 3.38Å; L327-F330 PolarHBondContact O-N 3.32Å; V328-F330 VanDerWaalsContact C-N 3.35Å; V328-F330 PolarHBondContact O-N 2.86Å; F330-Q332 PolarHBondContact O-N 3.49Å; F330-V333 PolarHBondContact O-N 3.45Å; F330-L334 HydrophobicContact CE1-CD2 4.19Å; F330-L334 HydrophobicContact CZ-CD2 4.3Å; F330-L334 VanDerWaalsContact O-CB 3.28Å; F330-L334 WeakPolarHBondContact O-CB 3.28Å; F330-L334 PolarHBondContact O-N 2.97Å
331	L	97.1	Very high	94.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.2	-39.3	178.5	-73.2	171.1	0	0	0	112.2	F297 L327 V328 G329 L335 F357 W360 L368	F297-L331 HydrophobicContact CD2-CD2 4.4Å; F297-L331 HydrophobicContact CE2-CD2 4.47Å; L327-L331 WeakPolarHBondContact O-CG 3.4Å; L327-L331 PolarHBondContact O-N 2.89Å; V328-L331 PolarHBondContact O-N 3.37Å; G329-L331 PolarHBondContact O-N 3.49Å; L331-L335 WeakPolarHBondContact O-CB 3.23Å; L331-L335 PolarHBondContact O-N 3.43Å; L331-F357 HydrophobicContact CB-CZ 4.1Å; L331-F357 HydrophobicContact CD2-CE2 4.35Å; L331-F357 HydrophobicContact CD2-CZ 3.97Å; L331-F357 WeakPolarHBondContact O-CZ 3.18Å; L331-W360 HydrophobicContact CD1-CH2 3.8Å; L331-W360 HydrophobicContact CD1-CZ3 4.22Å; L331-L368 HydrophobicContact CB-CD1 3.94Å
332	Q	96.9	Very high	94.5	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-64.2	-47.4	176.9	-76.3	172.9	-12.8	0	0	111.8	V328 G329 F330 L335 V336 L368 M371 N372 F374	V328-Q332 HydrophobicContact CG1-CG 4.29Å; V328-Q332 WeakPolarHBondContact O-CB 3.35Å; V328-Q332 WeakPolarHBondContact O-CG 3.36Å; V328-Q332 PolarHBondContact O-N 2.81Å; G329-Q332 PolarHBondContact O-N 2.96Å; F330-Q332 PolarHBondContact O-N 3.49Å; Q332-L335 PolarHBondContact O-N 2.61Å; Q332-V336 WeakPolarHBondContact O-CG2 3.22Å; Q332-V336 PolarHBondContact O-N 2.87Å; Q332-L368 HydrophobicContact CG-CD1 3.95Å; Q332-L368 HydrophobicContact CG-CG 4.3Å; Q332-L368 PolarHBondContact NE2-O 3.09Å; Q332-M371 PolarHBondContact NE2-O 3.36Å; Q332-N372 PolarHBondContact OE1-ND2 3.21Å; Q332-F374 HydrophobicContact CB-CD2 3.78Å; Q332-F374 HydrophobicContact CB-CE1 4.49Å; Q332-F374 HydrophobicContact CB-CE2 3.63Å; Q332-F374 HydrophobicContact CB-CG 4.28Å; Q332-F374 HydrophobicContact CB-CZ 4Å; Q332-F374 HydrophobicContact CG-CB 4.3Å; Q332-F374 HydrophobicContact CG-CD1 3.9Å; Q332-F374 HydrophobicContact CG-CD2 3.74Å; Q332-F374 HydrophobicContact CG-CE1 4.1Å; Q332-F374 HydrophobicContact CG-CE2 3.95Å; Q332-F374 HydrophobicContact CG-CG 3.71Å; Q332-F374 HydrophobicContact CG-CZ 4.12Å
333	V	96.8	Very high	94.7	Very high	11 Å²	11	12.6 Å²	12.6	7%	0.067	7%	0.069	C	C	.	.	H	α-helix	trans	-62.8	-46.2	176.7	175.1	0	0	0	0	110.5	E273 A276 G329 F330 L335 V336 D337	E273-V333 HydrophobicContact CG-CG2 4.28Å; A276-V333 HydrophobicContact CB-CB 3.99Å; A276-V333 HydrophobicContact CB-CG1 3.59Å; G329-V333 WeakPolarHBondContact O-CG2 3.48Å; G329-V333 PolarHBondContact O-N 3.4Å; F330-V333 PolarHBondContact O-N 3.45Å; V333-L335 VanDerWaalsContact C-N 3.3Å; V333-L335 PolarHBondContact O-N 3.25Å; V333-V336 PolarHBondContact O-N 3.42Å; V333-D337 WeakPolarHBondContact O-CB 3.46Å; V333-D337 VanDerWaalsContact O-CG 3.3Å; V333-D337 PolarHBondContact O-N 2.85Å
334	L	96.6	Very high	94.7	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-57.8	-42	177.1	-175.7	64.1	0	0	0	112	A276 I279 V280 I296 F330 L338 F357	A276-L334 HydrophobicContact CB-CB 4.49Å; I279-L334 HydrophobicContact CB-CD1 4.47Å; I279-L334 HydrophobicContact CG2-CD1 3.97Å; V280-L334 HydrophobicContact CG2-CD1 3.7Å; I296-L334 HydrophobicContact CG2-CD2 4.36Å; F330-L334 HydrophobicContact CE1-CD2 4.19Å; F330-L334 HydrophobicContact CZ-CD2 4.3Å; F330-L334 VanDerWaalsContact O-CB 3.28Å; F330-L334 WeakPolarHBondContact O-CB 3.28Å; F330-L334 PolarHBondContact O-N 2.97Å; L334-L338 HydrophobicContact CD1-CD1 4.33Å; L334-L338 HydrophobicContact CD1-CG 4.47Å; L334-L338 HydrophobicContact CG-CD1 4.12Å; L334-L338 WeakPolarHBondContact O-CB 3.22Å; L334-L338 WeakPolarHBondContact O-CD1 3.39Å; L334-L338 WeakPolarHBondContact O-CG 3.27Å; L334-L338 PolarHBondContact O-N 2.79Å; L334-F357 HydrophobicContact CD2-CE2 4.31Å; L334-F357 HydrophobicContact CG-CE2 4.48Å
335	L	96.3	Very high	94.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.3	-46.6	176.9	179	59.9	0	0	0	111.9	L331 Q332 V333 L338 L339 F357 L368 F374 F380	L331-L335 WeakPolarHBondContact O-CB 3.23Å; L331-L335 PolarHBondContact O-N 3.43Å; Q332-L335 PolarHBondContact O-N 2.61Å; V333-L335 VanDerWaalsContact C-N 3.3Å; V333-L335 PolarHBondContact O-N 3.25Å; L335-L338 PolarHBondContact O-N 3.4Å; L335-L339 HydrophobicContact CD1-CD1 4.1Å; L335-L339 HydrophobicContact CD1-CG 4.17Å; L335-L339 HydrophobicContact CG-CD1 4.06Å; L335-L339 WeakPolarHBondContact O-CG 3.18Å; L335-L339 PolarHBondContact O-N 3.19Å; L335-F357 HydrophobicContact CB-CE1 4.21Å; L335-F357 HydrophobicContact CB-CE2 4.18Å; L335-F357 HydrophobicContact CB-CZ 3.87Å; L335-F357 HydrophobicContact CD1-CD1 4.27Å; L335-F357 HydrophobicContact CD1-CE1 4.47Å; L335-F357 HydrophobicContact CD1-CG 4.34Å; L335-F357 HydrophobicContact CD2-CE1 4.22Å; L335-L368 HydrophobicContact CD2-CD2 4.2Å; L335-F374 HydrophobicContact CD2-CE1 4.21Å; L335-F374 HydrophobicContact CD2-CZ 4.41Å; L335-F380 HydrophobicContact CD2-CE2 3.93Å; L335-F380 HydrophobicContact CG-CE2 4.43Å
336	V	96.1	Very high	94.9	Very high	9 Å²	9	17.9 Å²	17.9	6%	0.055	9%	0.093	C	C	.	.	H	α-helix	trans	-58.4	-53.5	178	169.3	0	0	0	0	110.6	Q332 V333 L338 L339 E340 F374 R379 F380	Q332-V336 WeakPolarHBondContact O-CG2 3.22Å; Q332-V336 PolarHBondContact O-N 2.87Å; V333-V336 PolarHBondContact O-N 3.42Å; V336-L338 VanDerWaalsContact C-N 3.32Å; V336-L338 PolarHBondContact O-N 2.72Å; V336-L339 WeakPolarHBondContact O-CB 3.4Å; V336-L339 PolarHBondContact O-N 3.2Å; V336-L339 VanDerWaalsContact O-N 3.09Å; V336-E340 WeakPolarHBondContact O-CG 3.47Å; V336-E340 PolarHBondContact O-N 3.08Å; V336-F374 HydrophobicContact CG2-CE2 3.53Å; V336-F374 HydrophobicContact CG2-CZ 3.69Å; V336-R379 HydrophobicContact CG1-CB 4.26Å; V336-R379 WeakPolarHBondContact CG1-O 3.17Å; V336-F380 HydrophobicContact CG2-CB 3.96Å; V336-F380 HydrophobicContact CG2-CD2 4.46Å
337	D	96	Very high	94.7	Very high	18 Å²	18	19.2 Å²	19.2	10%	0.096	10%	0.1	C	C	.	.	H	α-helix	trans	-61.8	-40.1	-176.8	-70	-1.6	0	0	0	111.6	H277 V280 V333 E340 C341	H277-D337 IonicContact CE1-OD1 3.58Å; H277-D337 IonicContact CE1-OD2 2.84Å; H277-D337 PolarHBondContact CE1-OD2 3.25Å; H277-D337 IonicContact CG-OD2 2.69Å; H277-D337 IonicContact ND1-OD1 2.78Å; H277-D337 IonicContact ND1-OD2 3.75Å; H277-D337 PolarHBondContact ND1-OD2 2.87Å; V280-D337 HydrophobicContact CB-CB 3.82Å; V280-D337 HydrophobicContact CG1-CB 3.89Å; V280-D337 HydrophobicContact CG2-CB 3.52Å; V333-D337 WeakPolarHBondContact O-CB 3.46Å; V333-D337 VanDerWaalsContact O-CG 3.3Å; V333-D337 PolarHBondContact O-N 2.85Å; D337-E340 PolarHBondContact O-N 2.92Å; D337-C341 PolarHBondContact O-N 3.19Å; D337-C341 PolarHBondContact O-SG 2.82Å
338	L	95.7	Very high	94.5	Very high	3 Å²	3	27 Å²	27	2%	0.016	13%	0.134	C	C	.	.	H	α-helix	trans	-61.8	-46.6	173.6	-76.6	171.7	0	0	0	111.3	V280 V283 L293 L334 L335 V336 E340 C341 L346	V280-L338 HydrophobicContact CG2-CD2 4.21Å; V280-L338 HydrophobicContact CG2-CG 4.08Å; V283-L338 HydrophobicContact CG1-CD2 4.35Å; L293-L338 HydrophobicContact CD2-CD1 4.45Å; L293-L338 HydrophobicContact CD2-CD2 4.01Å; L334-L338 HydrophobicContact CD1-CD1 4.33Å; L334-L338 HydrophobicContact CD1-CG 4.47Å; L334-L338 HydrophobicContact CG-CD1 4.12Å; L334-L338 WeakPolarHBondContact O-CB 3.22Å; L334-L338 WeakPolarHBondContact O-CD1 3.39Å; L334-L338 WeakPolarHBondContact O-CG 3.27Å; L334-L338 PolarHBondContact O-N 2.79Å; L335-L338 PolarHBondContact O-N 3.4Å; V336-L338 VanDerWaalsContact C-N 3.32Å; V336-L338 PolarHBondContact O-N 2.72Å; L338-E340 PolarHBondContact O-N 3.38Å; L338-C341 VanDerWaalsContact O-CB 3.27Å; L338-C341 WeakPolarHBondContact O-CB 3.33Å; L338-C341 PolarHBondContact O-N 3.47Å; L338-C341 VanDerWaalsContact O-N 3.15Å; L338-L346 HydrophobicContact CB-CD2 4.45Å; L338-L346 WeakPolarHBondContact O-CD1 3.45Å; L338-L346 WeakPolarHBondContact O-CD2 3.41Å
339	L	94.8	Very high	94.4	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.016	15%	0.148	C	C	.	.	H	α-helix	trans	-61.3	-32.8	178.3	-68.6	171.2	0	0	0	112.1	L335 V336 C341 G342 L354 F380 P383 L384 L387	L335-L339 HydrophobicContact CD1-CD1 4.1Å; L335-L339 HydrophobicContact CD1-CG 4.17Å; L335-L339 HydrophobicContact CG-CD1 4.06Å; L335-L339 WeakPolarHBondContact O-CG 3.18Å; L335-L339 PolarHBondContact O-N 3.19Å; V336-L339 WeakPolarHBondContact O-CB 3.4Å; V336-L339 PolarHBondContact O-N 3.2Å; V336-L339 VanDerWaalsContact O-N 3.09Å; L339-C341 VanDerWaalsContact C-N 3.29Å; L339-C341 PolarHBondContact O-N 3.13Å; L339-G342 PolarHBondContact O-N 3.33Å; L339-L354 HydrophobicContact CD2-CD1 3.87Å; L339-F380 HydrophobicContact CD1-CD2 3.97Å; L339-F380 HydrophobicContact CD1-CE2 3.89Å; L339-P383 HydrophobicContact CB-CB 3.73Å; L339-L384 HydrophobicContact CD1-CB 4.32Å; L339-L387 HydrophobicContact CD2-CD1 3.56Å
340	E	94.8	Very high	94.2	Very high	100 Å²	100	29.8 Å²	29.8	47%	0.467	15%	0.146	S	C	.	.	H	α-helix	trans	-66.8	-25.3	177.1	-73.8	-172	166.5	0	0	113.8	V336 D337 L338 G342 P383	V336-E340 WeakPolarHBondContact O-CG 3.47Å; V336-E340 PolarHBondContact O-N 3.08Å; D337-E340 PolarHBondContact O-N 2.92Å; L338-E340 PolarHBondContact O-N 3.38Å; E340-G342 PolarHBondContact O-N 3.37Å; E340-G342 VanDerWaalsContact O-N 3.13Å; E340-P383 HydrophobicContact CG-CB 4.02Å; E340-P383 HydrophobicContact CG-CG 3.49Å; E340-P383 VanDerWaalsContact CG-CG 3.49Å
341	C	94.4	Very high	94	Very high	23 Å²	23	30.5 Å²	30.5	16%	0.155	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.9	172.9	-62.9	0	0	0	0	113	Q284 D337 L338 L339 F345 L346	Q284-C341 VanDerWaalsContact CG-SG 3.55Å; Q284-C341 PolarHBondContact NE2-SG 2.88Å; D337-C341 PolarHBondContact O-N 3.19Å; D337-C341 PolarHBondContact O-SG 2.82Å; L338-C341 VanDerWaalsContact O-CB 3.27Å; L338-C341 WeakPolarHBondContact O-CB 3.33Å; L338-C341 PolarHBondContact O-N 3.47Å; L338-C341 VanDerWaalsContact O-N 3.15Å; L339-C341 VanDerWaalsContact C-N 3.29Å; L339-C341 PolarHBondContact O-N 3.13Å; C341-F345 HydrophobicContact CB-CB 4.34Å; C341-F345 HydrophobicContact CB-CD1 3.65Å; C341-F345 HydrophobicContact CB-CE1 4.37Å; C341-F345 HydrophobicContact CB-CG 4.16Å; C341-F345 WeakPolarHBondContact O-CB 3.28Å; C341-L346 HydrophobicContact CB-CD2 4.46Å; C341-L346 HydrophobicContact CB-CG 4.38Å
342	G	92.5	Very high	93.7	Very high	16 Å²	16	31.3 Å²	31.3	17%	0.165	16%	0.155	C	C	.	.			trans	84.9	158.2	176.9	0	0	0	0	0	114.5	L339 E340 E344 F345 L346	L339-G342 PolarHBondContact O-N 3.33Å; E340-G342 PolarHBondContact O-N 3.37Å; E340-G342 VanDerWaalsContact O-N 3.13Å; G342-E344 PolarHBondContact O-N 2.96Å; G342-F345 PolarHBondContact O-N 3.29Å; G342-L346 WeakPolarHBondContact O-CB 3.23Å; G342-L346 VanDerWaalsContact O-CG 3.29Å; G342-L346 WeakPolarHBondContact O-CG 3.17Å; G342-L346 PolarHBondContact O-N 3.06Å
343	L	91.6	Very high	93.6	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-57.3	-44.1	-169.5	179.1	67.7	0	0	0	114	F345 L346 L347 L387 N390 L450	L343-F345 PolarHBondContact O-N 2.95Å; L343-L346 PolarHBondContact O-N 2.74Å; L343-L347 HydrophobicContact CD1-CD1 3.73Å; L343-L347 HydrophobicContact CD1-CD2 4.3Å; L343-L347 HydrophobicContact CD1-CG 3.71Å; L343-L347 HydrophobicContact CD2-CD1 4.46Å; L343-L347 HydrophobicContact CG-CD1 3.91Å; L343-L347 HydrophobicContact CG-CG 4.2Å; L343-L347 WeakPolarHBondContact O-CB 3.42Å; L343-L347 WeakPolarHBondContact O-CG 3.45Å; L343-L347 PolarHBondContact O-N 3.48Å; L343-L387 HydrophobicContact CB-CD2 4.14Å; L343-L387 HydrophobicContact CB-CG 4.03Å; L343-L387 HydrophobicContact CD1-CD2 3.43Å; L343-L387 VanDerWaalsContact CD1-CD2 3.43Å; L343-L387 HydrophobicContact CD1-CG 4.16Å; L343-L387 HydrophobicContact CG-CD2 4.27Å; L343-N390 HydrophobicContact CB-CB 4.24Å; L343-N390 VanDerWaalsContact CD2-C 3.41Å; L343-N390 HydrophobicContact CD2-CB 3.74Å; L343-N390 WeakPolarHBondContact CD2-O 3.37Å; L343-L450 HydrophobicContact CD1-CD2 3.72Å; L343-L450 HydrophobicContact CD2-CD2 4.24Å
344	E	91.2	Very high	93.4	Very high	134 Å²	134	31.3 Å²	31.3	63%	0.626	15%	0.154	S	C	*	.	H	α-helix	trans	-63.3	-43.9	-176.1	-67.6	-173.7	160.4	0	0	112.2	G342 K348 R394	G342-E344 PolarHBondContact O-N 2.96Å; E344-K348 VanDerWaalsContact O-CB 3.28Å; E344-K348 WeakPolarHBondContact O-CB 3.49Å; E344-K348 PolarHBondContact O-N 3.4Å; E344-R394 VanDerWaalsContact CG-NH2 3.32Å; E344-R394 IonicContact OE1-CZ 3.91Å; E344-R394 IonicContact OE1-NH2 3.54Å; E344-R394 PolarHBondContact OE1-NH2 3.5Å
345	F	93.8	Very high	93.2	Very high	42 Å²	42	31.7 Å²	31.7	18%	0.184	16%	0.156	C	C	.	.	H	α-helix	trans	-64.3	-49	176.6	-177.4	-84.1	0	0	0	110.4	V283 C341 G342 L343 L347 K348 H349	V283-F345 HydrophobicContact CG1-CE1 3.72Å; V283-F345 HydrophobicContact CG1-CZ 4.09Å; V283-F345 WeakPolarHBondContact O-CZ 3.1Å; C341-F345 HydrophobicContact CB-CB 4.34Å; C341-F345 HydrophobicContact CB-CD1 3.65Å; C341-F345 HydrophobicContact CB-CE1 4.37Å; C341-F345 HydrophobicContact CB-CG 4.16Å; C341-F345 WeakPolarHBondContact O-CB 3.28Å; G342-F345 PolarHBondContact O-N 3.29Å; L343-F345 PolarHBondContact O-N 2.95Å; F345-L347 PolarHBondContact O-N 3.42Å; F345-K348 PolarHBondContact O-N 3.48Å; F345-H349 HydrophobicContact CD1-CB 4.5Å; F345-H349 AromaticContact CD2-CD2 3.62Å; F345-H349 HydrophobicContact CE1-CB 3.98Å; F345-H349 AromaticContact CE2-CD2 3.49Å; F345-H349 VanDerWaalsContact CE2-CD2 3.49Å; F345-H349 WeakPolarHBondContact CE2-CD2 3.47Å; F345-H349 HydrophobicContact CZ-CB 3.97Å; F345-H349 AromaticContact CZ-CD2 3.83Å; F345-H349 AromaticContact CZ-CG 3.99Å; F345-H349 WeakPolarHBondContact O-CB 3.42Å; F345-H349 PolarHBondContact O-CD2 3.01Å; F345-H349 PolarHBondContact O-N 3.33Å
346	L	92.4	Very high	93.1	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-61.1	-47.1	-176.8	-72.3	167.7	0	0	0	112.4	L338 C341 G342 L343 K348 V350 P351 L354 L387	L338-L346 HydrophobicContact CB-CD2 4.45Å; L338-L346 WeakPolarHBondContact O-CD1 3.45Å; L338-L346 WeakPolarHBondContact O-CD2 3.41Å; C341-L346 HydrophobicContact CB-CD2 4.46Å; C341-L346 HydrophobicContact CB-CG 4.38Å; G342-L346 WeakPolarHBondContact O-CB 3.23Å; G342-L346 VanDerWaalsContact O-CG 3.29Å; G342-L346 WeakPolarHBondContact O-CG 3.17Å; G342-L346 PolarHBondContact O-N 3.06Å; L343-L346 PolarHBondContact O-N 2.74Å; L346-K348 VanDerWaalsContact C-N 3.26Å; L346-K348 PolarHBondContact O-N 3.12Å; L346-V350 HydrophobicContact CD2-CG2 3.44Å; L346-V350 VanDerWaalsContact CD2-CG2 3.44Å; L346-V350 CarbonylContact O-C 3.57Å; L346-V350 PolarHBondContact O-N 3.28Å; L346-P351 VanDerWaalsContact O-CD 3.32Å; L346-P351 WeakPolarHBondContact O-CD 3.48Å; L346-L354 HydrophobicContact CB-CD2 4.16Å; L346-L354 HydrophobicContact CD1-CD2 3.9Å; L346-L354 HydrophobicContact CG-CD2 4.45Å; L346-L387 HydrophobicContact CD1-CD1 3.53Å
347	L	90.2	Very high	93.1	Very high	31 Å²	31	31.6 Å²	31.6	16%	0.162	16%	0.155	C	C	.	.	H	α-helix	trans	-65.2	-30.3	177.8	-71.9	-178.3	0	0	0	112.9	L343 F345 L449 L450	L343-L347 HydrophobicContact CD1-CD1 3.73Å; L343-L347 HydrophobicContact CD1-CD2 4.3Å; L343-L347 HydrophobicContact CD1-CG 3.71Å; L343-L347 HydrophobicContact CD2-CD1 4.46Å; L343-L347 HydrophobicContact CG-CD1 3.91Å; L343-L347 HydrophobicContact CG-CG 4.2Å; L343-L347 WeakPolarHBondContact O-CB 3.42Å; L343-L347 WeakPolarHBondContact O-CG 3.45Å; L343-L347 PolarHBondContact O-N 3.48Å; F345-L347 PolarHBondContact O-N 3.42Å; L347-L449 HydrophobicContact CD2-CB 4.46Å; L347-L449 HydrophobicContact CD2-CD1 4.38Å; L347-L450 HydrophobicContact CD1-CD2 4.13Å
348	K	90.5	Very high	93	Very high	163 Å²	163	30.9 Å²	30.9	71%	0.709	15%	0.151	S	C	*	.	H	α-helix	trans	-81.2	-37.4	-178.6	-177.2	177.1	174.2	-172.7	0	112.9	E344 F345 L346	E344-K348 VanDerWaalsContact O-CB 3.28Å; E344-K348 WeakPolarHBondContact O-CB 3.49Å; E344-K348 PolarHBondContact O-N 3.4Å; F345-K348 PolarHBondContact O-N 3.48Å; L346-K348 VanDerWaalsContact C-N 3.26Å; L346-K348 PolarHBondContact O-N 3.12Å
349	H	91.4	Very high	92.9	Very high	62 Å²	62	31.3 Å²	31.3	29%	0.287	15%	0.153	S	C	.	.	H	α-helix	trans	-114.6	-30.7	-166.2	-67.3	-72.4	0	0	0	114.6	F345	F345-H349 HydrophobicContact CD1-CB 4.5Å; F345-H349 AromaticContact CD2-CD2 3.62Å; F345-H349 HydrophobicContact CE1-CB 3.98Å; F345-H349 AromaticContact CE2-CD2 3.49Å; F345-H349 VanDerWaalsContact CE2-CD2 3.49Å; F345-H349 WeakPolarHBondContact CE2-CD2 3.47Å; F345-H349 HydrophobicContact CZ-CB 3.97Å; F345-H349 AromaticContact CZ-CD2 3.83Å; F345-H349 AromaticContact CZ-CG 3.99Å; F345-H349 WeakPolarHBondContact O-CB 3.42Å; F345-H349 PolarHBondContact O-CD2 3.01Å; F345-H349 PolarHBondContact O-N 3.33Å
350	V	92.8	Very high	92.9	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.018	15%	0.154	C	C	.	.			trans	-143.5	38.8	-174.8	-62.2	0	0	0	0	114.5	V283 E290 L293 L346 N352 V353 L354	V283-V350 HydrophobicContact CG1-CG1 4.07Å; E290-V350 VanDerWaalsContact OE1-C 3.25Å; L293-V350 HydrophobicContact CD2-CB 3.96Å; L293-V350 HydrophobicContact CD2-CG1 3.58Å; L293-V350 HydrophobicContact CD2-CG2 4.48Å; L346-V350 HydrophobicContact CD2-CG2 3.44Å; L346-V350 VanDerWaalsContact CD2-CG2 3.44Å; L346-V350 CarbonylContact O-C 3.57Å; L346-V350 PolarHBondContact O-N 3.28Å; V350-N352 PolarHBondContact O-N 3.47Å; V350-V353 PolarHBondContact O-N 3Å; V350-L354 PolarHBondContact O-N 2.55Å
351	P	91.8	Very high	92.9	Very high	16 Å²	16	26.8 Å²	26.8	10%	0.104	13%	0.131	C	C	.	.	H	α-helix	trans	-58.8	-43.4	-172.6	22.2	-33.2	0	0	0	113.7	E290 L346 Y355 L449	E290-P351 WeakPolarHBondContact OE1-CD 3.4Å; E290-P351 VanDerWaalsContact OE1-N 3.12Å; L346-P351 VanDerWaalsContact O-CD 3.32Å; L346-P351 WeakPolarHBondContact O-CD 3.48Å; P351-Y355 VanDerWaalsContact O-CB 3.25Å; P351-Y355 WeakPolarHBondContact O-CB 3.48Å; P351-Y355 PolarHBondContact O-N 3.2Å; P351-L449 HydrophobicContact CB-CD1 3.56Å; P351-L449 HydrophobicContact CB-CD2 4.45Å
352	N	91.4	Very high	92.9	Very high	16 Å²	16	27.4 Å²	27.4	9%	0.086	13%	0.132	C	C	.	.	H	α-helix	trans	-71.3	-34.5	-175.5	-63.3	-66.5	0	0	0	112	E290 M294 V350 T356 T412	E290-N352 WeakPolarHBondContact OE1-CA 3.21Å; E290-N352 WeakPolarHBondContact OE1-CB 3.3Å; E290-N352 PolarHBondContact OE1-N 3.11Å; E290-N352 PolarHBondContact OE1-ND2 3.16Å; E290-N352 VanDerWaalsContact OE1-ND2 3.08Å; E290-N352 PolarHBondContact OE2-ND2 2.57Å; M294-N352 HydrophobicContact CE-CB 4.16Å; V350-N352 PolarHBondContact O-N 3.47Å; N352-T356 WeakPolarHBondContact O-CB 3.4Å; N352-T356 PolarHBondContact O-N 3.48Å; N352-T356 PolarHBondContact O-OG1 3.24Å; N352-T412 HydrophobicContact CB-CG2 4.16Å; N352-T412 WeakPolarHBondContact CB-OG1 3.3Å; N352-T412 PolarHBondContact OD1-OG1 2.9Å
353	V	94.1	Very high	92.8	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.012	13%	0.133	C	C	.	.	H	α-helix	trans	-67.3	-51.3	177.2	-178.7	0	0	0	0	109.9	E290 L293 M294 V350 Y355 T356 F357	E290-V353 HydrophobicContact CG-CG2 3.89Å; E290-V353 WeakPolarHBondContact O-CG2 3.44Å; L293-V353 HydrophobicContact CB-CG2 4.11Å; L293-V353 HydrophobicContact CD2-CB 4.04Å; L293-V353 HydrophobicContact CD2-CG1 3.79Å; L293-V353 HydrophobicContact CD2-CG2 4.04Å; L293-V353 HydrophobicContact CG-CB 4.31Å; L293-V353 HydrophobicContact CG-CG1 3.76Å; L293-V353 HydrophobicContact CG-CG2 4.03Å; M294-V353 HydrophobicContact CB-CG2 4.1Å; M294-V353 HydrophobicContact CE-CB 4.49Å; M294-V353 HydrophobicContact CE-CG2 3.98Å; V350-V353 PolarHBondContact O-N 3Å; V353-Y355 VanDerWaalsContact C-N 3.28Å; V353-Y355 PolarHBondContact O-N 2.74Å; V353-T356 PolarHBondContact O-N 3.32Å; V353-F357 WeakPolarHBondContact O-CB 3.32Å; V353-F357 PolarHBondContact O-N 3.22Å
354	L	92.9	Very high	92.9	Very high	10 Å²	10	29.6 Å²	29.6	5%	0.052	14%	0.138	C	C	.	.	H	α-helix	trans	-57.3	-46.4	178.8	177.3	68.8	0	0	0	110.8	L339 L346 V350 F357 C358 L387 L453	L339-L354 HydrophobicContact CD2-CD1 3.87Å; L346-L354 HydrophobicContact CB-CD2 4.16Å; L346-L354 HydrophobicContact CD1-CD2 3.9Å; L346-L354 HydrophobicContact CG-CD2 4.45Å; V350-L354 PolarHBondContact O-N 2.55Å; L354-F357 PolarHBondContact O-N 2.66Å; L354-C358 WeakPolarHBondContact O-CB 3.33Å; L354-C358 PolarHBondContact O-N 2.87Å; L354-C358 PolarHBondContact O-SG 3.46Å; L354-C358 VanDerWaalsContact O-SG 3.33Å; L354-L387 HydrophobicContact CD2-CD1 4.25Å; L354-L453 HydrophobicContact CD2-CD2 3.95Å
355	Y	92.7	Very high	93	Very high	11 Å²	11	24.4 Å²	24.4	4%	0.043	11%	0.112	C	C	.	.	H	α-helix	trans	-53.1	-55.5	174.2	162.4	-101.8	0	0	0	112	P351 V353 F357 C358 R359 L410 D413 L449 R452	P351-Y355 VanDerWaalsContact O-CB 3.25Å; P351-Y355 WeakPolarHBondContact O-CB 3.48Å; P351-Y355 PolarHBondContact O-N 3.2Å; V353-Y355 VanDerWaalsContact C-N 3.28Å; V353-Y355 PolarHBondContact O-N 2.74Å; Y355-F357 VanDerWaalsContact C-N 3.3Å; Y355-F357 PolarHBondContact O-N 2.73Å; Y355-C358 PolarHBondContact O-N 3.34Å; Y355-R359 HydrophobicContact CD2-CG 4.14Å; Y355-R359 HydrophobicContact CE2-CG 3.78Å; Y355-R359 WeakPolarHBondContact O-CB 3.42Å; Y355-R359 WeakPolarHBondContact O-CG 3.34Å; Y355-R359 PolarHBondContact O-N 3.48Å; Y355-R359 WeakPolarHBondContact OH-CD 3.36Å; Y355-R359 PolarHBondContact OH-NH1 2.63Å; Y355-L410 HydrophobicContact CD1-CD1 4Å; Y355-L410 HydrophobicContact CD2-CD1 3.8Å; Y355-L410 HydrophobicContact CE1-CD1 3.95Å; Y355-L410 HydrophobicContact CE2-CD1 3.7Å; Y355-L410 HydrophobicContact CG-CD1 3.94Å; Y355-D413 VanDerWaalsContact CE1-OD1 3.25Å; Y355-D413 WeakPolarHBondContact CE1-OD1 3.23Å; Y355-D413 VanDerWaalsContact CZ-OD1 3.3Å; Y355-D413 PolarHBondContact OH-OD1 2.99Å; Y355-D413 PolarHBondContact OH-OD2 3.45Å; Y355-L449 HydrophobicContact CD2-CD2 4.15Å; Y355-L449 HydrophobicContact CG-CD2 3.91Å; Y355-R452 HydrophobicContact CD2-CB 3.9Å; Y355-R452 HydrophobicContact CD2-CG 4.11Å; Y355-R452 HydrophobicContact CE2-CB 3.92Å; Y355-R452 HydrophobicContact CE2-CG 3.69Å
356	T	94.1	Very high	92.9	Very high	5 Å²	5	23 Å²	23	3%	0.031	11%	0.107	C	C	.	.	H	α-helix	trans	-64	-39	-176.2	-52.2	0	0	0	0	110.8	M294 F297 N352 V353 R359 W360 L422	M294-T356 HydrophobicContact SD-CG2 4.44Å; F297-T356 HydrophobicContact CD1-CG2 4.35Å; F297-T356 HydrophobicContact CE1-CG2 3.91Å; N352-T356 WeakPolarHBondContact O-CB 3.4Å; N352-T356 PolarHBondContact O-N 3.48Å; N352-T356 PolarHBondContact O-OG1 3.24Å; V353-T356 PolarHBondContact O-N 3.32Å; T356-R359 PolarHBondContact O-N 2.86Å; T356-W360 VanDerWaalsContact O-CB 3.28Å; T356-W360 WeakPolarHBondContact O-CB 3.48Å; T356-W360 PolarHBondContact O-N 3.26Å; T356-L422 HydrophobicContact CG2-CD1 3.68Å; T356-L422 HydrophobicContact CG2-CD2 4.19Å
357	F	95.4	Very high	92.7	Very high	1 Å²	1	23.4 Å²	23.4	0%	0.004	11%	0.109	C	C	.	.	H	α-helix	trans	-62.2	-55.6	176.5	-156.9	-36.9	0	0	0	111.1	F297 L331 L334 L335 V353 L354 Y355 R359 W360 A361 L368	F297-F357 HydrophobicContact CD2-CB 4.47Å; F297-F357 AromaticContact CD2-CD2 3.59Å; F297-F357 HydrophobicContact CD2-CD2 3.59Å; F297-F357 AromaticContact CD2-CE2 3.83Å; F297-F357 HydrophobicContact CD2-CE2 3.83Å; F297-F357 AromaticContact CD2-CG 3.97Å; F297-F357 HydrophobicContact CD2-CG 3.97Å; F297-F357 HydrophobicContact CD2-CZ 4.39Å; F297-F357 HydrophobicContact CE2-CB 4Å; F297-F357 AromaticContact CE2-CD1 3.7Å; F297-F357 HydrophobicContact CE2-CD1 3.7Å; F297-F357 AromaticContact CE2-CD2 3.55Å; F297-F357 HydrophobicContact CE2-CD2 3.55Å; F297-F357 AromaticContact CE2-CE1 3.95Å; F297-F357 HydrophobicContact CE2-CE1 3.95Å; F297-F357 AromaticContact CE2-CE2 3.83Å; F297-F357 HydrophobicContact CE2-CE2 3.83Å; F297-F357 AromaticContact CE2-CG 3.46Å; F297-F357 HydrophobicContact CE2-CG 3.46Å; F297-F357 VanDerWaalsContact CE2-CG 3.46Å; F297-F357 HydrophobicContact CE2-CZ 4Å; F297-F357 HydrophobicContact CZ-CB 4.07Å; F297-F357 HydrophobicContact CZ-CD1 4.18Å; F297-F357 HydrophobicContact CZ-CD2 4.44Å; F297-F357 AromaticContact CZ-CG 3.98Å; F297-F357 HydrophobicContact CZ-CG 3.98Å; L331-F357 HydrophobicContact CB-CZ 4.1Å; L331-F357 HydrophobicContact CD2-CE2 4.35Å; L331-F357 HydrophobicContact CD2-CZ 3.97Å; L331-F357 WeakPolarHBondContact O-CZ 3.18Å; L334-F357 HydrophobicContact CD2-CE2 4.31Å; L334-F357 HydrophobicContact CG-CE2 4.48Å; L335-F357 HydrophobicContact CB-CE1 4.21Å; L335-F357 HydrophobicContact CB-CE2 4.18Å; L335-F357 HydrophobicContact CB-CZ 3.87Å; L335-F357 HydrophobicContact CD1-CD1 4.27Å; L335-F357 HydrophobicContact CD1-CE1 4.47Å; L335-F357 HydrophobicContact CD1-CG 4.34Å; L335-F357 HydrophobicContact CD2-CE1 4.22Å; V353-F357 WeakPolarHBondContact O-CB 3.32Å; V353-F357 PolarHBondContact O-N 3.22Å; L354-F357 PolarHBondContact O-N 2.66Å; Y355-F357 VanDerWaalsContact C-N 3.3Å; Y355-F357 PolarHBondContact O-N 2.73Å; F357-R359 VanDerWaalsContact C-N 3.26Å; F357-R359 PolarHBondContact O-N 2.92Å; F357-W360 HydrophobicContact CD1-CE3 4.04Å; F357-W360 HydrophobicContact CD1-CZ3 4.36Å; F357-W360 AromaticContact CE1-CE3 4Å; F357-W360 HydrophobicContact CE1-CE3 4Å; F357-W360 AromaticContact CE1-CZ3 3.84Å; F357-W360 HydrophobicContact CE1-CZ3 3.84Å; F357-W360 PolarHBondContact O-N 3.05Å; F357-A361 WeakPolarHBondContact O-CB 3.46Å; F357-A361 PolarHBondContact O-N 3.12Å; F357-L368 HydrophobicContact CE1-CD2 3.76Å
358	C	94.1	Very high	92.9	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.02	10%	0.101	C	C	.	.	H	α-helix	trans	-59.4	-38.4	-179.7	-71	0	0	0	0	111.8	L354 Y355 A361 H362 F456	L354-C358 WeakPolarHBondContact O-CB 3.33Å; L354-C358 PolarHBondContact O-N 2.87Å; L354-C358 PolarHBondContact O-SG 3.46Å; L354-C358 VanDerWaalsContact O-SG 3.33Å; Y355-C358 PolarHBondContact O-N 3.34Å; C358-A361 PolarHBondContact O-N 3.29Å; C358-H362 WeakPolarHBondContact O-CB 3.46Å; C358-H362 PolarHBondContact O-N 3.37Å; C358-F456 HydrophobicContact CB-CB 4.01Å; C358-F456 HydrophobicContact CB-CD1 3.94Å; C358-F456 HydrophobicContact CB-CD2 4.04Å; C358-F456 HydrophobicContact CB-CE1 4.42Å; C358-F456 HydrophobicContact CB-CG 3.72Å; C358-F456 VanDerWaalsContact O-CD2 3.29Å; C358-F456 WeakPolarHBondContact O-CD2 3.47Å
359	R	93.8	Very high	92.9	Very high	12 Å²	12	14.1 Å²	14.1	5%	0.045	7%	0.068	C	C	.	.	H	α-helix	trans	-68.5	-43.5	176.2	-74.3	-152	74.9	155.5	10.1	113.3	Y355 T356 F357 A361 H362 F363 C425 S428 L429	Y355-R359 HydrophobicContact CD2-CG 4.14Å; Y355-R359 HydrophobicContact CE2-CG 3.78Å; Y355-R359 WeakPolarHBondContact O-CB 3.42Å; Y355-R359 WeakPolarHBondContact O-CG 3.34Å; Y355-R359 PolarHBondContact O-N 3.48Å; Y355-R359 WeakPolarHBondContact OH-CD 3.36Å; Y355-R359 PolarHBondContact OH-NH1 2.63Å; T356-R359 PolarHBondContact O-N 2.86Å; F357-R359 VanDerWaalsContact C-N 3.26Å; F357-R359 PolarHBondContact O-N 2.92Å; R359-A361 VanDerWaalsContact C-N 3.32Å; R359-A361 PolarHBondContact O-N 2.92Å; R359-H362 PolarHBondContact O-N 3.29Å; R359-F363 WeakPolarHBondContact O-CD2 3.49Å; R359-F363 PolarHBondContact O-N 3.2Å; R359-C425 HydrophobicContact CB-CB 4.06Å; R359-C425 PolarHBondContact NH2-O 3.13Å; R359-S428 PolarHBondContact NH2-OG 3.48Å; R359-L429 VanDerWaalsContact NH1-CD2 3.26Å
360	W	95.6	Very high	92.8	Very high	9 Å²	9	12.5 Å²	12.5	3%	0.034	6%	0.06	C	C	.	.	I	π-helix	trans	-59.2	-46.1	174.1	169.6	74.9	0	0	0	110.8	F297 L301 L304 L331 T356 F357 H362 D364 W365 L368 L422	F297-W360 HydrophobicContact CE1-CB 4.45Å; F297-W360 HydrophobicContact CE2-CD2 4.5Å; F297-W360 AromaticContact CE2-CE3 3.97Å; F297-W360 HydrophobicContact CE2-CE3 3.97Å; F297-W360 HydrophobicContact CE2-CZ3 4.42Å; F297-W360 HydrophobicContact CZ-CB 3.93Å; F297-W360 AromaticContact CZ-CD2 3.96Å; F297-W360 HydrophobicContact CZ-CD2 3.96Å; F297-W360 AromaticContact CZ-CE3 3.8Å; F297-W360 HydrophobicContact CZ-CE3 3.8Å; F297-W360 HydrophobicContact CZ-CG 4.01Å; L301-W360 HydrophobicContact CD1-CD2 4.33Å; L301-W360 HydrophobicContact CD1-CG 4.05Å; L301-W360 HydrophobicContact CD2-CD2 3.66Å; L301-W360 HydrophobicContact CD2-CE3 4.03Å; L301-W360 HydrophobicContact CD2-CG 4.27Å; L301-W360 HydrophobicContact CD2-CH2 3.85Å; L301-W360 HydrophobicContact CD2-CZ2 3.47Å; L301-W360 VanDerWaalsContact CD2-CZ2 3.47Å; L301-W360 HydrophobicContact CD2-CZ3 4.1Å; L304-W360 HydrophobicContact CD2-CH2 3.94Å; L304-W360 HydrophobicContact CD2-CZ2 3.49Å; L304-W360 VanDerWaalsContact CD2-CZ2 3.49Å; L331-W360 HydrophobicContact CD1-CH2 3.8Å; L331-W360 HydrophobicContact CD1-CZ3 4.22Å; T356-W360 VanDerWaalsContact O-CB 3.28Å; T356-W360 WeakPolarHBondContact O-CB 3.48Å; T356-W360 PolarHBondContact O-N 3.26Å; F357-W360 HydrophobicContact CD1-CE3 4.04Å; F357-W360 HydrophobicContact CD1-CZ3 4.36Å; F357-W360 AromaticContact CE1-CE3 4Å; F357-W360 HydrophobicContact CE1-CE3 4Å; F357-W360 AromaticContact CE1-CZ3 3.84Å; F357-W360 HydrophobicContact CE1-CZ3 3.84Å; F357-W360 PolarHBondContact O-N 3.05Å; W360-H362 VanDerWaalsContact C-N 3.27Å; W360-H362 PolarHBondContact O-N 2.95Å; W360-D364 HydrophobicContact CG-CB 4.43Å; W360-D364 PolarHBondContact O-N 3.16Å; W360-W365 HydrophobicContact CD2-CB 4.28Å; W360-W365 VanDerWaalsContact CE2-CB 3.44Å; W360-W365 HydrophobicContact CH2-CB 4.12Å; W360-W365 HydrophobicContact CH2-CD2 4.15Å; W360-W365 AromaticContact CH2-CE3 3.55Å; W360-W365 HydrophobicContact CH2-CE3 3.55Å; W360-W365 HydrophobicContact CH2-CG 4.39Å; W360-W365 HydrophobicContact CH2-CZ3 4.33Å; W360-W365 HydrophobicContact CZ2-CB 3.33Å; W360-W365 AromaticContact CZ2-CD2 3.86Å; W360-W365 HydrophobicContact CZ2-CD2 3.86Å; W360-W365 AromaticContact CZ2-CE3 3.74Å; W360-W365 HydrophobicContact CZ2-CE3 3.74Å; W360-W365 AromaticContact CZ2-CG 3.69Å; W360-W365 HydrophobicContact CZ2-CG 3.69Å; W360-W365 PolarHBondContact O-N 2.92Å; W360-L368 HydrophobicContact CH2-CD1 4.3Å; W360-L368 HydrophobicContact CZ3-CD1 4.23Å; W360-L368 HydrophobicContact CZ3-CD2 3.92Å; W360-L368 HydrophobicContact CZ3-CG 4.48Å; W360-L422 HydrophobicContact CB-CD2 3.81Å; W360-L422 HydrophobicContact CG-CD2 4.21Å
361	A	94.6	Very high	92.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-64.8	-27.8	176.3	0	0	0	0	0	113.2	F357 C358 R359 P366 L368 F456	F357-A361 WeakPolarHBondContact O-CB 3.46Å; F357-A361 PolarHBondContact O-N 3.12Å; C358-A361 PolarHBondContact O-N 3.29Å; R359-A361 VanDerWaalsContact C-N 3.32Å; R359-A361 PolarHBondContact O-N 2.92Å; A361-P366 WeakPolarHBondContact O-CA 3.44Å; A361-L368 HydrophobicContact CB-CD2 3.92Å; A361-F456 HydrophobicContact CB-CE2 3.9Å; A361-F456 HydrophobicContact CB-CZ 4.41Å
362	H	93.4	Very high	92.1	Very high	36 Å²	36	15.3 Å²	15.3	17%	0.167	7%	0.074	C	C	.	.	I	π-helix	trans	-79.6	-54.2	175.9	-174	177.6	0	0	0	112.3	C358 R359 W360 F456 F459	C358-H362 WeakPolarHBondContact O-CB 3.46Å; C358-H362 PolarHBondContact O-N 3.37Å; R359-H362 PolarHBondContact O-N 3.29Å; W360-H362 VanDerWaalsContact C-N 3.27Å; W360-H362 PolarHBondContact O-N 2.95Å; H362-F456 HydrophobicContact CB-CD2 4.19Å; H362-F459 HydrophobicContact CB-CD1 4.12Å; H362-F459 HydrophobicContact CB-CE1 4.46Å; H362-F459 AromaticContact CD2-CD1 3.69Å; H362-F459 AromaticContact CD2-CD2 3.33Å; H362-F459 WeakPolarHBondContact CD2-CD2 3.36Å; H362-F459 AromaticContact CD2-CE2 3.81Å; H362-F459 AromaticContact CD2-CG 3.26Å; H362-F459 WeakPolarHBondContact CD2-CG 2.99Å; H362-F459 AromaticContact CG-CD1 3.93Å; H362-F459 AromaticContact CG-CG 3.82Å; H362-F459 AromaticContact NE2-CD2 3.52Å; H362-F459 AromaticContact NE2-CG 3.58Å
363	F	92.2	Very high	91.6	Very high	45 Å²	45	17.8 Å²	17.8	20%	0.197	9%	0.087	C	C	.	.	I	π-helix	trans	-97.8	-40.1	-165.5	-70.9	-82.4	0	0	0	114	R359 S424 C425 K561	R359-F363 WeakPolarHBondContact O-CD2 3.49Å; R359-F363 PolarHBondContact O-N 3.2Å; F363-S424 WeakPolarHBondContact O-CB 3.49Å; F363-C425 HydrophobicContact CB-CB 3.97Å; F363-C425 HydrophobicContact CD2-CB 4.12Å; F363-C425 HydrophobicContact CG-CB 4.27Å; F363-K561 WeakPolarHBondContact O-CE 3.31Å
364	D	91.9	Very high	91.5	Very high	19 Å²	19	17.7 Å²	17.7	10%	0.102	9%	0.086	C	C	.	.	I	π-helix	trans	-97.6	-41.6	-170	-69.3	-78.1	0	0	0	111.7	W360 S424 C425	W360-D364 HydrophobicContact CG-CB 4.43Å; W360-D364 PolarHBondContact O-N 3.16Å; D364-S424 WeakPolarHBondContact OD1-CA 3.45Å; D364-S424 WeakPolarHBondContact OD1-CB 3.45Å; D364-S424 PolarHBondContact OD1-N 3.23Å; D364-S424 PolarHBondContact OD1-OG 3.48Å; D364-C425 WeakPolarHBondContact OD2-CB 3.46Å; D364-C425 PolarHBondContact OD2-N 3.41Å
365	W	93	Very high	91.3	Very high	25 Å²	25	17.6 Å²	17.6	10%	0.095	9%	0.086	C	C	.	.			trans	-141.5	64.3	-174.1	-148.2	78.6	0	0	0	114.8	L304 W319 L324 V328 W360 K367 L368 M371	L304-W365 HydrophobicContact CD1-CH2 4.44Å; L304-W365 HydrophobicContact CD1-CZ2 4.22Å; L304-W365 HydrophobicContact CD2-CD2 3.89Å; L304-W365 HydrophobicContact CD2-CE3 4.12Å; L304-W365 HydrophobicContact CD2-CG 4.31Å; L304-W365 HydrophobicContact CD2-CZ2 4.3Å; L304-W365 HydrophobicContact CD2-CZ3 4.43Å; W319-W365 HydrophobicContact CH2-CZ2 4.38Å; W319-W365 HydrophobicContact CZ3-CZ2 4.19Å; L324-W365 HydrophobicContact CD1-CZ2 4.44Å; V328-W365 HydrophobicContact CG1-CZ3 4.49Å; V328-W365 HydrophobicContact CG2-CH2 3.45Å; V328-W365 VanDerWaalsContact CG2-CH2 3.45Å; V328-W365 HydrophobicContact CG2-CZ2 4.46Å; V328-W365 HydrophobicContact CG2-CZ3 3.88Å; W360-W365 HydrophobicContact CD2-CB 4.28Å; W360-W365 VanDerWaalsContact CE2-CB 3.44Å; W360-W365 HydrophobicContact CH2-CB 4.12Å; W360-W365 HydrophobicContact CH2-CD2 4.15Å; W360-W365 AromaticContact CH2-CE3 3.55Å; W360-W365 HydrophobicContact CH2-CE3 3.55Å; W360-W365 HydrophobicContact CH2-CG 4.39Å; W360-W365 HydrophobicContact CH2-CZ3 4.33Å; W360-W365 HydrophobicContact CZ2-CB 3.33Å; W360-W365 AromaticContact CZ2-CD2 3.86Å; W360-W365 HydrophobicContact CZ2-CD2 3.86Å; W360-W365 AromaticContact CZ2-CE3 3.74Å; W360-W365 HydrophobicContact CZ2-CE3 3.74Å; W360-W365 AromaticContact CZ2-CG 3.69Å; W360-W365 HydrophobicContact CZ2-CG 3.69Å; W360-W365 PolarHBondContact O-N 2.92Å; W365-K367 HydrophobicContact CD2-CB 4.09Å; W365-K367 HydrophobicContact CE3-CB 4.31Å; W365-K367 HydrophobicContact CH2-CB 4.01Å; W365-K367 HydrophobicContact CZ2-CB 3.82Å; W365-K367 HydrophobicContact CZ3-CB 4.28Å; W365-K367 PolarHBondContact O-N 3.02Å; W365-L368 HydrophobicContact CE3-CB 3.66Å; W365-L368 HydrophobicContact CE3-CD1 4.36Å; W365-L368 VanDerWaalsContact CE3-N 3.27Å; W365-L368 HydrophobicContact CZ3-CB 3.72Å; W365-L368 HydrophobicContact CZ3-CD1 3.98Å; W365-L368 HydrophobicContact CZ3-CG 4.49Å; W365-L368 PolarHBondContact O-N 3.46Å; W365-M371 HydrophobicContact CH2-SD 3.61Å; W365-M371 HydrophobicContact CZ2-SD 4.25Å
366	P	92	Very high	91	Very high	12 Å²	12	22 Å²	22	8%	0.078	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-13.1	177.5	27.9	-37.3	0	0	0	114.9	A361 L368 L369 H370 F459	A361-P366 WeakPolarHBondContact O-CA 3.44Å; P366-L368 PolarHBondContact O-N 3.32Å; P366-L368 VanDerWaalsContact O-N 3.14Å; P366-L369 PolarHBondContact O-N 3.49Å; P366-L369 VanDerWaalsContact O-N 3.11Å; P366-H370 PolarHBondContact O-CD2 3.21Å; P366-F459 HydrophobicContact CB-CE1 4.22Å; P366-F459 HydrophobicContact CB-CZ 3.65Å
367	K	89.7	Confident	90.7	Very high	10 Å²	10	22.9 Å²	22.9	4%	0.043	11%	0.106	C	C	.	.	H	α-helix	trans	-58.5	-24.9	174.5	-63.1	91.9	177.1	-179.9	0	112.2	W319 W365 L369 H370 M371 L598	W319-K367 HydrophobicContact CH2-CB 4.27Å; W319-K367 HydrophobicContact CH2-CG 3.92Å; W319-K367 HydrophobicContact CZ3-CB 4.4Å; W319-K367 HydrophobicContact CZ3-CG 4.48Å; W365-K367 HydrophobicContact CD2-CB 4.09Å; W365-K367 HydrophobicContact CE3-CB 4.31Å; W365-K367 HydrophobicContact CH2-CB 4.01Å; W365-K367 HydrophobicContact CZ2-CB 3.82Å; W365-K367 HydrophobicContact CZ3-CB 4.28Å; W365-K367 PolarHBondContact O-N 3.02Å; K367-L369 PolarHBondContact O-N 2.93Å; K367-H370 PolarHBondContact O-N 3.5Å; K367-H370 VanDerWaalsContact O-N 3.15Å; K367-M371 WeakPolarHBondContact O-CG 3.13Å; K367-M371 PolarHBondContact O-N 2.98Å; K367-L598 HydrophobicContact CG-CD2 4.21Å
368	L	93.1	Very high	90.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-51.1	-42.2	173.4	-171.9	75.2	0	0	0	112.5	V328 L331 Q332 L335 F357 W360 A361 W365 P366	V328-L368 HydrophobicContact CG1-CD1 4.3Å; L331-L368 HydrophobicContact CB-CD1 3.94Å; Q332-L368 HydrophobicContact CG-CD1 3.95Å; Q332-L368 HydrophobicContact CG-CG 4.3Å; Q332-L368 PolarHBondContact NE2-O 3.09Å; L335-L368 HydrophobicContact CD2-CD2 4.2Å; F357-L368 HydrophobicContact CE1-CD2 3.76Å; W360-L368 HydrophobicContact CH2-CD1 4.3Å; W360-L368 HydrophobicContact CZ3-CD1 4.23Å; W360-L368 HydrophobicContact CZ3-CD2 3.92Å; W360-L368 HydrophobicContact CZ3-CG 4.48Å; A361-L368 HydrophobicContact CB-CD2 3.92Å; W365-L368 HydrophobicContact CE3-CB 3.66Å; W365-L368 HydrophobicContact CE3-CD1 4.36Å; W365-L368 VanDerWaalsContact CE3-N 3.27Å; W365-L368 HydrophobicContact CZ3-CB 3.72Å; W365-L368 HydrophobicContact CZ3-CD1 3.98Å; W365-L368 HydrophobicContact CZ3-CG 4.49Å; W365-L368 PolarHBondContact O-N 3.46Å; P366-L368 PolarHBondContact O-N 3.32Å; P366-L368 VanDerWaalsContact O-N 3.14Å
369	L	91.5	Very high	90.2	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-73.1	-35.1	-175.6	-59.5	-176.6	0	0	0	111.5	P366 K367 F374 I375 F380 F456 F459 V460	P366-L369 PolarHBondContact O-N 3.49Å; P366-L369 VanDerWaalsContact O-N 3.11Å; K367-L369 PolarHBondContact O-N 2.93Å; L369-F374 HydrophobicContact CD2-CD1 4.19Å; L369-F374 HydrophobicContact CD2-CE1 4.25Å; L369-I375 HydrophobicContact CB-CB 4.22Å; L369-I375 HydrophobicContact CB-CD1 4.27Å; L369-I375 HydrophobicContact CB-CG1 4.3Å; L369-I375 VanDerWaalsContact O-CB 3.27Å; L369-I375 WeakPolarHBondContact O-CB 3.43Å; L369-I375 PolarHBondContact O-N 2.93Å; L369-F380 HydrophobicContact CD2-CE1 4.19Å; L369-F380 HydrophobicContact CD2-CZ 3.94Å; L369-F456 HydrophobicContact CD2-CZ 4.35Å; L369-F459 HydrophobicContact CD1-CD1 4.1Å; L369-F459 HydrophobicContact CD1-CE1 3.61Å; L369-V460 HydrophobicContact CD1-CG2 3.95Å
370	H	87.9	Confident	90.2	Very high	27 Å²	27	31.4 Å²	31.4	13%	0.125	15%	0.146	C	C	.	.	H	α-helix	trans	-85.9	-28	-174.3	-61.2	-69.4	0	0	0	113.2	P366 K367 R605	P366-H370 PolarHBondContact O-CD2 3.21Å; K367-H370 PolarHBondContact O-N 3.5Å; K367-H370 VanDerWaalsContact O-N 3.15Å; H370-R605 PolarHBondContact O-NH2 2.94Å
371	M	86.8	Confident	89.9	Confident	16 Å²	16	31.4 Å²	31.4	8%	0.079	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-66.5	146.3	176.3	-71.6	-167.4	71.1	0	0	111.7	W319 L324 V328 Q332 W365 K367 D373 F374	W319-M371 HydrophobicContact CE3-SD 4.15Å; W319-M371 HydrophobicContact CZ3-SD 3.85Å; L324-M371 HydrophobicContact CD2-CE 3.93Å; L324-M371 HydrophobicContact CD2-SD 4.32Å; L324-M371 HydrophobicContact CG-CE 3.98Å; L324-M371 HydrophobicContact CG-SD 4.45Å; V328-M371 HydrophobicContact CB-SD 4.47Å; V328-M371 HydrophobicContact CG1-CB 3.8Å; V328-M371 HydrophobicContact CG1-CE 4.44Å; V328-M371 HydrophobicContact CG1-SD 4.11Å; V328-M371 HydrophobicContact CG2-CE 4.27Å; V328-M371 HydrophobicContact CG2-SD 3.9Å; Q332-M371 PolarHBondContact NE2-O 3.36Å; W365-M371 HydrophobicContact CH2-SD 3.61Å; W365-M371 HydrophobicContact CZ2-SD 4.25Å; K367-M371 WeakPolarHBondContact O-CG 3.13Å; K367-M371 PolarHBondContact O-N 2.98Å; M371-D373 PolarHBondContact O-N 3.48Å; M371-D373 VanDerWaalsContact O-N 3.08Å; M371-F374 VanDerWaalsContact O-CB 3.23Å; M371-F374 WeakPolarHBondContact O-CB 3.27Å; M371-F374 PolarHBondContact O-N 3.25Å; M371-F374 VanDerWaalsContact O-N 3.11Å
372	N	83.1	Confident	89.8	Confident	62 Å²	62	40.4 Å²	40.4	33%	0.332	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	57.5	18.4	-177.9	-53.7	-34.7	0	0	0	115.3	Q332 F374	Q332-N372 PolarHBondContact OE1-ND2 3.21Å; N372-F374 PolarHBondContact O-N 2.9Å
373	D	82.5	Confident	89.7	Confident	68 Å²	68	39.3 Å²	39.3	36%	0.364	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	53.9	28.9	-171.9	-156.6	35	0	0	0	113	M371 I375 R376 R605	M371-D373 PolarHBondContact O-N 3.48Å; M371-D373 VanDerWaalsContact O-N 3.08Å; D373-I375 VanDerWaalsContact C-N 3.29Å; D373-I375 PolarHBondContact O-N 3.15Å; D373-R376 PolarHBondContact O-N 3.05Å; D373-R376 VanDerWaalsContact O-N 3.12Å; D373-R376 WeakPolarHBondContact OD1-CD 3.34Å; D373-R376 IonicContact OD1-NE 3.36Å; D373-R605 IonicContact OD1-NH1 3.84Å
374	F	90.9	Very high	89.8	Confident	1 Å²	1	37.2 Å²	37.2	0%	0.004	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-60.5	-35.5	-171.6	179.3	-111.1	0	0	0	113.2	Q332 L335 V336 L369 M371 N372 R376 E377 F380	Q332-F374 HydrophobicContact CB-CD2 3.78Å; Q332-F374 HydrophobicContact CB-CE1 4.49Å; Q332-F374 HydrophobicContact CB-CE2 3.63Å; Q332-F374 HydrophobicContact CB-CG 4.28Å; Q332-F374 HydrophobicContact CB-CZ 4Å; Q332-F374 HydrophobicContact CG-CB 4.3Å; Q332-F374 HydrophobicContact CG-CD1 3.9Å; Q332-F374 HydrophobicContact CG-CD2 3.74Å; Q332-F374 HydrophobicContact CG-CE1 4.1Å; Q332-F374 HydrophobicContact CG-CE2 3.95Å; Q332-F374 HydrophobicContact CG-CG 3.71Å; Q332-F374 HydrophobicContact CG-CZ 4.12Å; L335-F374 HydrophobicContact CD2-CE1 4.21Å; L335-F374 HydrophobicContact CD2-CZ 4.41Å; V336-F374 HydrophobicContact CG2-CE2 3.53Å; V336-F374 HydrophobicContact CG2-CZ 3.69Å; L369-F374 HydrophobicContact CD2-CD1 4.19Å; L369-F374 HydrophobicContact CD2-CE1 4.25Å; M371-F374 VanDerWaalsContact O-CB 3.23Å; M371-F374 WeakPolarHBondContact O-CB 3.27Å; M371-F374 PolarHBondContact O-N 3.25Å; M371-F374 VanDerWaalsContact O-N 3.11Å; N372-F374 PolarHBondContact O-N 2.9Å; F374-R376 PolarHBondContact O-N 3.34Å; F374-R376 VanDerWaalsContact O-N 3.11Å; F374-E377 VanDerWaalsContact CD2-OE2 3.24Å; F374-E377 WeakPolarHBondContact CD2-OE2 3.37Å; F374-E377 WeakPolarHBondContact O-CB 3.42Å; F374-E377 PolarHBondContact O-N 2.94Å; F374-F380 HydrophobicContact CD1-CD1 4.4Å; F374-F380 HydrophobicContact CD1-CG 4.39Å; F374-F380 HydrophobicContact CD2-CB 4.47Å; F374-F380 HydrophobicContact CE1-CB 4.29Å; F374-F380 HydrophobicContact CE1-CD1 4.06Å; F374-F380 AromaticContact CE1-CD2 3.63Å; F374-F380 HydrophobicContact CE1-CD2 3.63Å; F374-F380 HydrophobicContact CE1-CE1 4.31Å; F374-F380 AromaticContact CE1-CE2 3.9Å; F374-F380 HydrophobicContact CE1-CE2 3.9Å; F374-F380 AromaticContact CE1-CG 3.71Å; F374-F380 HydrophobicContact CE1-CG 3.71Å; F374-F380 HydrophobicContact CE1-CZ 4.23Å; F374-F380 HydrophobicContact CE2-CB 3.86Å; F374-F380 HydrophobicContact CE2-CD2 4.41Å; F374-F380 HydrophobicContact CE2-CG 4.18Å; F374-F380 HydrophobicContact CZ-CB 3.76Å; F374-F380 HydrophobicContact CZ-CD1 4.37Å; F374-F380 AromaticContact CZ-CD2 3.47Å; F374-F380 HydrophobicContact CZ-CD2 3.47Å; F374-F380 VanDerWaalsContact CZ-CD2 3.47Å; F374-F380 HydrophobicContact CZ-CE2 4.15Å; F374-F380 AromaticContact CZ-CG 3.6Å; F374-F380 HydrophobicContact CZ-CG 3.6Å
375	I	88.5	Confident	89.7	Confident	8 Å²	8	36.7 Å²	36.7	4%	0.041	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-59.4	-26.3	179.3	-157.5	176.1	0	0	0	113.1	L369 D373 L381 V460 C463 L464	L369-I375 HydrophobicContact CB-CB 4.22Å; L369-I375 HydrophobicContact CB-CD1 4.27Å; L369-I375 HydrophobicContact CB-CG1 4.3Å; L369-I375 VanDerWaalsContact O-CB 3.27Å; L369-I375 WeakPolarHBondContact O-CB 3.43Å; L369-I375 PolarHBondContact O-N 2.93Å; D373-I375 VanDerWaalsContact C-N 3.29Å; D373-I375 PolarHBondContact O-N 3.15Å; I375-L381 WeakPolarHBondContact O-CD1 3.14Å; I375-V460 HydrophobicContact CG1-CG1 4.32Å; I375-C463 HydrophobicContact CD1-CB 3.31Å; I375-L464 HydrophobicContact CB-CD2 4.35Å; I375-L464 HydrophobicContact CD1-CD2 4.08Å; I375-L464 HydrophobicContact CD1-CG 3.77Å; I375-L464 HydrophobicContact CG1-CD1 4.37Å; I375-L464 HydrophobicContact CG1-CD2 3.77Å; I375-L464 HydrophobicContact CG1-CG 3.71Å; I375-L464 HydrophobicContact CG2-CD2 4.01Å
376	R	86.7	Confident	89.6	Confident	104 Å²	104	41.7 Å²	41.7	39%	0.392	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-92.5	-2.1	177.8	-62.5	-175.7	-179.4	-91	-0.6	113.2	D373 F374 V378 L464	D373-R376 PolarHBondContact O-N 3.05Å; D373-R376 VanDerWaalsContact O-N 3.12Å; D373-R376 WeakPolarHBondContact OD1-CD 3.34Å; D373-R376 IonicContact OD1-NE 3.36Å; F374-R376 PolarHBondContact O-N 3.34Å; F374-R376 VanDerWaalsContact O-N 3.11Å; R376-V378 PolarHBondContact O-N 3.08Å; R376-L464 HydrophobicContact CG-CD2 4.27Å
377	E	88.1	Confident	89.6	Confident	22 Å²	22	41.2 Å²	41.2	10%	0.103	18%	0.184	C	C	.	.			trans	-71.8	119.6	-176	-175.1	171.3	-167	0	0	111.2	F374 R379 F380 L381 R769	F374-E377 VanDerWaalsContact CD2-OE2 3.24Å; F374-E377 WeakPolarHBondContact CD2-OE2 3.37Å; F374-E377 WeakPolarHBondContact O-CB 3.42Å; F374-E377 PolarHBondContact O-N 2.94Å; E377-R379 HydrophobicContact CG-CB 3.98Å; E377-R379 PolarHBondContact O-N 2.83Å; E377-R379 IonicContact OE1-CZ 2.67Å; E377-R379 IonicContact OE1-NE 3.68Å; E377-R379 PolarHBondContact OE1-NE 3.43Å; E377-R379 IonicContact OE1-NH2 2.99Å; E377-R379 PolarHBondContact OE1-NH2 3.31Å; E377-F380 HydrophobicContact CB-CB 4.25Å; E377-F380 WeakPolarHBondContact O-CB 3.49Å; E377-F380 PolarHBondContact O-N 3.09Å; E377-L381 PolarHBondContact O-N 3.39Å; E377-R769 IonicContact OE1-CZ 3.01Å; E377-R769 IonicContact OE1-NH1 3.42Å; E377-R769 IonicContact OE1-NH2 2.69Å; E377-R769 PolarHBondContact OE1-NH2 3.09Å; E377-R769 IonicContact OE2-CZ 2.73Å; E377-R769 IonicContact OE2-NH1 3.58Å; E377-R769 IonicContact OE2-NH2 3.26Å; E377-R769 PolarHBondContact OE2-NH2 3.39Å
378	V	88.4	Confident	89.7	Confident	71 Å²	71	40.9 Å²	40.9	43%	0.43	18%	0.182	S	C	.	.	H	α-helix	trans	-60	-34.4	179.5	179.6	0	0	0	0	111.7	R376 F380 L381 R382 M489	R376-V378 PolarHBondContact O-N 3.08Å; V378-F380 PolarHBondContact O-N 3.28Å; V378-L381 PolarHBondContact O-N 3.4Å; V378-R382 VanDerWaalsContact O-CB 3.23Å; V378-R382 WeakPolarHBondContact O-CB 3.39Å; V378-R382 PolarHBondContact O-N 3.3Å; V378-M489 HydrophobicContact CG2-CB 4.04Å
379	R	90.2	Very high	89.5	Confident	125 Å²	125	44.8 Å²	44.8	47%	0.472	20%	0.199	S	C	.	.	H	α-helix	trans	-64.2	-25.2	175.1	-61.3	-173.1	-66.9	-179.6	2	113	V336 E377 P383	V336-R379 HydrophobicContact CG1-CB 4.26Å; V336-R379 WeakPolarHBondContact CG1-O 3.17Å; E377-R379 HydrophobicContact CG-CB 3.98Å; E377-R379 PolarHBondContact O-N 2.83Å; E377-R379 IonicContact OE1-CZ 2.67Å; E377-R379 IonicContact OE1-NE 3.68Å; E377-R379 PolarHBondContact OE1-NE 3.43Å; E377-R379 IonicContact OE1-NH2 2.99Å; E377-R379 PolarHBondContact OE1-NH2 3.31Å; R379-P383 WeakPolarHBondContact O-CD 3.42Å; R379-P383 WeakPolarHBondContact O-CG 3.23Å
380	F	93.2	Very high	89.4	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-85.8	-49.3	172.3	167	-115.8	0	0	0	111.9	L335 V336 L339 L369 F374 E377 V378 R382 P383 L384 F456 V460	L335-F380 HydrophobicContact CD2-CE2 3.93Å; L335-F380 HydrophobicContact CG-CE2 4.43Å; V336-F380 HydrophobicContact CG2-CB 3.96Å; V336-F380 HydrophobicContact CG2-CD2 4.46Å; L339-F380 HydrophobicContact CD1-CD2 3.97Å; L339-F380 HydrophobicContact CD1-CE2 3.89Å; L369-F380 HydrophobicContact CD2-CE1 4.19Å; L369-F380 HydrophobicContact CD2-CZ 3.94Å; F374-F380 HydrophobicContact CD1-CD1 4.4Å; F374-F380 HydrophobicContact CD1-CG 4.39Å; F374-F380 HydrophobicContact CD2-CB 4.47Å; F374-F380 HydrophobicContact CE1-CB 4.29Å; F374-F380 HydrophobicContact CE1-CD1 4.06Å; F374-F380 AromaticContact CE1-CD2 3.63Å; F374-F380 HydrophobicContact CE1-CD2 3.63Å; F374-F380 HydrophobicContact CE1-CE1 4.31Å; F374-F380 AromaticContact CE1-CE2 3.9Å; F374-F380 HydrophobicContact CE1-CE2 3.9Å; F374-F380 AromaticContact CE1-CG 3.71Å; F374-F380 HydrophobicContact CE1-CG 3.71Å; F374-F380 HydrophobicContact CE1-CZ 4.23Å; F374-F380 HydrophobicContact CE2-CB 3.86Å; F374-F380 HydrophobicContact CE2-CD2 4.41Å; F374-F380 HydrophobicContact CE2-CG 4.18Å; F374-F380 HydrophobicContact CZ-CB 3.76Å; F374-F380 HydrophobicContact CZ-CD1 4.37Å; F374-F380 AromaticContact CZ-CD2 3.47Å; F374-F380 HydrophobicContact CZ-CD2 3.47Å; F374-F380 VanDerWaalsContact CZ-CD2 3.47Å; F374-F380 HydrophobicContact CZ-CE2 4.15Å; F374-F380 AromaticContact CZ-CG 3.6Å; F374-F380 HydrophobicContact CZ-CG 3.6Å; E377-F380 HydrophobicContact CB-CB 4.25Å; E377-F380 WeakPolarHBondContact O-CB 3.49Å; E377-F380 PolarHBondContact O-N 3.09Å; V378-F380 PolarHBondContact O-N 3.28Å; F380-R382 PolarHBondContact O-N 2.91Å; F380-P383 WeakPolarHBondContact O-CD 3.28Å; F380-L384 HydrophobicContact CE1-CD2 4.22Å; F380-L384 HydrophobicContact CE2-CD2 4.28Å; F380-L384 HydrophobicContact CZ-CD2 3.77Å; F380-L384 WeakPolarHBondContact O-CB 3.49Å; F380-L384 PolarHBondContact O-N 3.25Å; F380-F456 HydrophobicContact CZ-CE1 4.33Å; F380-F456 HydrophobicContact CZ-CZ 4.31Å; F380-V460 HydrophobicContact CE1-CG1 4.09Å; F380-V460 HydrophobicContact CZ-CG2 4.29Å
381	L	91.1	Very high	89.5	Confident	9 Å²	9	46.9 Å²	46.9	5%	0.047	21%	0.211	C	C	.	.	H	α-helix	trans	-67.4	-38.5	-173.6	-65.9	177	0	0	0	113	I375 E377 V378 L384 V385 V460 L464 L469	I375-L381 WeakPolarHBondContact O-CD1 3.14Å; E377-L381 PolarHBondContact O-N 3.39Å; V378-L381 PolarHBondContact O-N 3.4Å; L381-L384 PolarHBondContact O-N 3.36Å; L381-V385 WeakPolarHBondContact O-CB 3.02Å; L381-V385 WeakPolarHBondContact O-CG2 3.32Å; L381-V385 PolarHBondContact O-N 3.25Å; L381-V460 HydrophobicContact CD2-CG1 4.1Å; L381-L464 HydrophobicContact CD1-CD1 4.21Å; L381-L464 HydrophobicContact CD2-CD1 3.83Å; L381-L469 HydrophobicContact CD2-CD2 4.18Å
382	R	90.6	Very high	89.6	Confident	188 Å²	188	47.6 Å²	47.6	71%	0.709	22%	0.215	S	C	*	.	H	α-helix	trans	-66	-49.9	-176.4	178	-176.8	-174.3	-173	3.7	112.6	V378 F380 K386	V378-R382 VanDerWaalsContact O-CB 3.23Å; V378-R382 WeakPolarHBondContact O-CB 3.39Å; V378-R382 PolarHBondContact O-N 3.3Å; F380-R382 PolarHBondContact O-N 2.91Å; R382-K386 WeakPolarHBondContact O-CB 3.36Å; R382-K386 PolarHBondContact O-N 2.85Å
383	P	92.7	Very high	89.7	Confident	14 Å²	14	49.4 Å²	49.4	9%	0.091	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-41.1	173.5	-25.4	37	0	0	0	112.7	L339 E340 R379 F380 K386 L387	L339-P383 HydrophobicContact CB-CB 3.73Å; E340-P383 HydrophobicContact CG-CB 4.02Å; E340-P383 HydrophobicContact CG-CG 3.49Å; E340-P383 VanDerWaalsContact CG-CG 3.49Å; R379-P383 WeakPolarHBondContact O-CD 3.42Å; R379-P383 WeakPolarHBondContact O-CG 3.23Å; F380-P383 WeakPolarHBondContact O-CD 3.28Å; P383-K386 PolarHBondContact O-N 3.42Å; P383-L387 VanDerWaalsContact O-CB 3.29Å; P383-L387 WeakPolarHBondContact O-CB 3.39Å; P383-L387 PolarHBondContact O-N 3.47Å
384	L	92.9	Very high	89.8	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-58.6	-54.2	177.6	179	61.3	0	0	0	111.6	L339 F380 L381 K386 L387 L388 F456 V460	L339-L384 HydrophobicContact CD1-CB 4.32Å; F380-L384 HydrophobicContact CE1-CD2 4.22Å; F380-L384 HydrophobicContact CE2-CD2 4.28Å; F380-L384 HydrophobicContact CZ-CD2 3.77Å; F380-L384 WeakPolarHBondContact O-CB 3.49Å; F380-L384 PolarHBondContact O-N 3.25Å; L381-L384 PolarHBondContact O-N 3.36Å; L384-K386 VanDerWaalsContact C-N 3.32Å; L384-K386 PolarHBondContact O-N 3.09Å; L384-L387 WeakPolarHBondContact O-CB 3.19Å; L384-L387 PolarHBondContact O-N 2.77Å; L384-L387 VanDerWaalsContact O-N 3.14Å; L384-L388 HydrophobicContact CD1-CD1 3.96Å; L384-L388 HydrophobicContact CD1-CG 4.12Å; L384-L388 HydrophobicContact CG-CD1 3.82Å; L384-L388 HydrophobicContact CG-CG 4.39Å; L384-L388 VanDerWaalsContact O-CG 3.24Å; L384-L388 WeakPolarHBondContact O-CG 3.17Å; L384-L388 PolarHBondContact O-N 2.6Å; L384-F456 HydrophobicContact CD1-CD1 4.1Å; L384-F456 HydrophobicContact CD1-CE1 4.17Å; L384-F456 HydrophobicContact CD2-CE1 4.37Å; L384-V460 HydrophobicContact CD2-CB 4.26Å; L384-V460 HydrophobicContact CD2-CG1 4.12Å; L384-V460 HydrophobicContact CD2-CG2 4.05Å
385	V	90.8	Very high	89.6	Confident	7 Å²	7	52.5 Å²	52.5	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-62.4	-39.4	179.9	171.6	0	0	0	0	111.7	L381 L387 L388 K389 L469 F484	L381-V385 WeakPolarHBondContact O-CB 3.02Å; L381-V385 WeakPolarHBondContact O-CG2 3.32Å; L381-V385 PolarHBondContact O-N 3.25Å; V385-L387 VanDerWaalsContact C-N 3.31Å; V385-L387 PolarHBondContact O-N 2.84Å; V385-L388 PolarHBondContact O-N 3.19Å; V385-K389 HydrophobicContact CG1-CD 4.12Å; V385-K389 HydrophobicContact CG1-CG 4.4Å; V385-K389 WeakPolarHBondContact O-CB 3.42Å; V385-K389 WeakPolarHBondContact O-CG 3.48Å; V385-K389 PolarHBondContact O-N 3.5Å; V385-L469 HydrophobicContact CG2-CD1 3.59Å; V385-L469 HydrophobicContact CG2-CG 4.16Å; V385-F484 HydrophobicContact CG1-CB 4.37Å
386	K	90.8	Very high	89.3	Confident	131 Å²	131	57.3 Å²	57.3	57%	0.57	27%	0.266	S	S	*	.	H	α-helix	trans	-59.5	-44.7	174.8	-178.3	-177.5	178.1	-173	0	111.1	R382 P383 L384 N390	R382-K386 WeakPolarHBondContact O-CB 3.36Å; R382-K386 PolarHBondContact O-N 2.85Å; P383-K386 PolarHBondContact O-N 3.42Å; L384-K386 VanDerWaalsContact C-N 3.32Å; L384-K386 PolarHBondContact O-N 3.09Å; K386-N390 WeakPolarHBondContact O-CB 3.38Å; K386-N390 VanDerWaalsContact O-CG 3.23Å; K386-N390 PolarHBondContact O-N 3.28Å; K386-N390 VanDerWaalsContact O-N 3.12Å
387	L	91.7	Very high	89.2	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-48.5	178.1	-160.9	172.5	0	0	0	110.1	L339 L343 L346 L354 P383 L384 V385 K389 N390 G391 L453	L339-L387 HydrophobicContact CD2-CD1 3.56Å; L343-L387 HydrophobicContact CB-CD2 4.14Å; L343-L387 HydrophobicContact CB-CG 4.03Å; L343-L387 HydrophobicContact CD1-CD2 3.43Å; L343-L387 VanDerWaalsContact CD1-CD2 3.43Å; L343-L387 HydrophobicContact CD1-CG 4.16Å; L343-L387 HydrophobicContact CG-CD2 4.27Å; L346-L387 HydrophobicContact CD1-CD1 3.53Å; L354-L387 HydrophobicContact CD2-CD1 4.25Å; P383-L387 VanDerWaalsContact O-CB 3.29Å; P383-L387 WeakPolarHBondContact O-CB 3.39Å; P383-L387 PolarHBondContact O-N 3.47Å; L384-L387 WeakPolarHBondContact O-CB 3.19Å; L384-L387 PolarHBondContact O-N 2.77Å; L384-L387 VanDerWaalsContact O-N 3.14Å; V385-L387 VanDerWaalsContact C-N 3.31Å; V385-L387 PolarHBondContact O-N 2.84Å; L387-K389 PolarHBondContact O-N 3.4Å; L387-N390 CarbonylContact O-C 3.58Å; L387-N390 PolarHBondContact O-N 3.25Å; L387-N390 VanDerWaalsContact O-N 3.15Å; L387-G391 PolarHBondContact O-N 3.03Å; L387-L453 HydrophobicContact CD1-CD2 4.17Å; L387-L453 HydrophobicContact CD2-CD2 3.1Å; L387-L453 HydrophobicContact CD2-CG 4.03Å; L387-L453 HydrophobicContact CG-CD2 4.27Å
388	L	91.2	Very high	89	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-61.9	-43.4	-179.1	-62.6	166.2	0	0	0	112.4	L384 V385 N390 G391 Q392 L453 M454 L470 F484	L384-L388 HydrophobicContact CD1-CD1 3.96Å; L384-L388 HydrophobicContact CD1-CG 4.12Å; L384-L388 HydrophobicContact CG-CD1 3.82Å; L384-L388 HydrophobicContact CG-CG 4.39Å; L384-L388 VanDerWaalsContact O-CG 3.24Å; L384-L388 WeakPolarHBondContact O-CG 3.17Å; L384-L388 PolarHBondContact O-N 2.6Å; V385-L388 PolarHBondContact O-N 3.19Å; L388-N390 VanDerWaalsContact C-N 3.33Å; L388-N390 PolarHBondContact O-N 3.16Å; L388-G391 PolarHBondContact O-N 3.25Å; L388-G391 VanDerWaalsContact O-N 3.13Å; L388-Q392 WeakPolarHBondContact O-CB 3.15Å; L388-Q392 PolarHBondContact O-N 2.95Å; L388-L453 HydrophobicContact CD2-CG 4.09Å; L388-L453 VanDerWaalsContact CD2-O 3.31Å; L388-L453 WeakPolarHBondContact CD2-O 3.15Å; L388-M454 HydrophobicContact CB-CE 4.27Å; L388-M454 HydrophobicContact CB-SD 4.23Å; L388-M454 HydrophobicContact CD2-CE 3.81Å; L388-M454 HydrophobicContact CD2-SD 3.79Å; L388-M454 WeakPolarHBondContact O-CE 3.32Å; L388-L470 HydrophobicContact CD1-CD1 4.01Å; L388-F484 HydrophobicContact CB-CD1 4.11Å; L388-F484 HydrophobicContact CB-CE1 3.33Å; L388-F484 HydrophobicContact CB-CZ 3.79Å; L388-F484 HydrophobicContact CD1-CE1 4.27Å; L388-F484 HydrophobicContact CG-CE1 4.36Å
389	K	90.2	Very high	88.9	Confident	83 Å²	83	51.3 Å²	51.3	36%	0.361	24%	0.243	S	C	.	.	H	α-helix	trans	-57.2	-45.2	172.9	-77.2	178.2	174.8	-179.2	0	112.1	V385 L387 G391 S393 F484	V385-K389 HydrophobicContact CG1-CD 4.12Å; V385-K389 HydrophobicContact CG1-CG 4.4Å; V385-K389 WeakPolarHBondContact O-CB 3.42Å; V385-K389 WeakPolarHBondContact O-CG 3.48Å; V385-K389 PolarHBondContact O-N 3.5Å; L387-K389 PolarHBondContact O-N 3.4Å; K389-G391 VanDerWaalsContact C-N 3.31Å; K389-G391 PolarHBondContact O-N 3.45Å; K389-S393 PolarHBondContact O-N 2.88Å; K389-F484 HydrophobicContact CB-CD2 4.44Å; K389-F484 HydrophobicContact CD-CB 4.22Å; K389-F484 HydrophobicContact CG-CB 3.85Å; K389-F484 HydrophobicContact CG-CD1 4.39Å; K389-F484 HydrophobicContact CG-CD2 3.52Å; K389-F484 HydrophobicContact CG-CE2 4.11Å; K389-F484 HydrophobicContact CG-CG 3.68Å
390	N	89.9	Confident	88.7	Confident	70 Å²	70	51.8 Å²	51.8	37%	0.374	25%	0.248	S	C	.	.	H	α-helix	trans	-68.8	-30.5	177.7	-70.8	-4.6	0	0	0	112.7	L343 K386 L387 L388 S393	L343-N390 HydrophobicContact CB-CB 4.24Å; L343-N390 VanDerWaalsContact CD2-C 3.41Å; L343-N390 HydrophobicContact CD2-CB 3.74Å; L343-N390 WeakPolarHBondContact CD2-O 3.37Å; K386-N390 WeakPolarHBondContact O-CB 3.38Å; K386-N390 VanDerWaalsContact O-CG 3.23Å; K386-N390 PolarHBondContact O-N 3.28Å; K386-N390 VanDerWaalsContact O-N 3.12Å; L387-N390 CarbonylContact O-C 3.58Å; L387-N390 PolarHBondContact O-N 3.25Å; L387-N390 VanDerWaalsContact O-N 3.15Å; L388-N390 VanDerWaalsContact C-N 3.33Å; L388-N390 PolarHBondContact O-N 3.16Å; N390-S393 PolarHBondContact O-OG 3.27Å
391	G	90	Very high	88.3	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-74.4	-39.4	178.2	0	0	0	0	0	111.5	L387 L388 K389 S393 R394 L395	L387-G391 PolarHBondContact O-N 3.03Å; L388-G391 PolarHBondContact O-N 3.25Å; L388-G391 VanDerWaalsContact O-N 3.13Å; K389-G391 VanDerWaalsContact C-N 3.31Å; K389-G391 PolarHBondContact O-N 3.45Å; G391-S393 VanDerWaalsContact C-N 3.32Å; G391-S393 PolarHBondContact O-N 2.76Å; G391-R394 CarbonylContact O-C 3.56Å; G391-R394 PolarHBondContact O-N 3.25Å; G391-L395 PolarHBondContact O-N 3.34Å
392	Q	87.6	Confident	88	Confident	32 Å²	32	57.1 Å²	57.1	15%	0.15	27%	0.271	C	S	.	.	H	α-helix	trans	-59.8	-39.7	178.9	179	57	18	0	0	112.8	L388 R394 L395 L480 Y482 F484	L388-Q392 WeakPolarHBondContact O-CB 3.15Å; L388-Q392 PolarHBondContact O-N 2.95Å; Q392-R394 PolarHBondContact O-N 3.28Å; Q392-L395 PolarHBondContact O-N 2.7Å; Q392-L480 PolarHBondContact NE2-O 2.97Å; Q392-Y482 VanDerWaalsContact CD-CD2 3.5Å; Q392-F484 HydrophobicContact CB-CE2 3.73Å; Q392-F484 HydrophobicContact CB-CZ 4.01Å; Q392-F484 HydrophobicContact CG-CE2 4.04Å
393	S	85.1	Confident	87.7	Confident	100 Å²	100	53.4 Å²	53.4	70%	0.699	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.8	177.7	64	0	0	0	0	113.5	K389 N390 G391	K389-S393 PolarHBondContact O-N 2.88Å; N390-S393 PolarHBondContact O-OG 3.27Å; G391-S393 VanDerWaalsContact C-N 3.32Å; G391-S393 PolarHBondContact O-N 2.76Å
394	R	86	Confident	87.2	Confident	120 Å²	120	56.8 Å²	56.8	45%	0.453	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-18.7	178.2	-58.5	-179.7	-174.1	-157.2	-5.4	112.9	E344 G391 Q392 N396 L450	E344-R394 VanDerWaalsContact CG-NH2 3.32Å; E344-R394 IonicContact OE1-CZ 3.91Å; E344-R394 IonicContact OE1-NH2 3.54Å; E344-R394 PolarHBondContact OE1-NH2 3.5Å; G391-R394 CarbonylContact O-C 3.56Å; G391-R394 PolarHBondContact O-N 3.25Å; Q392-R394 PolarHBondContact O-N 3.28Å; R394-N396 PolarHBondContact O-N 2.78Å; R394-L450 HydrophobicContact CB-CD1 3.85Å
395	L	85.5	Confident	86.8	Confident	13 Å²	13	58.2 Å²	58.2	7%	0.068	29%	0.285	C	S	.	.			trans	-83.2	105.1	-178.8	-169.3	68.8	0	0	0	109.8	G391 Q392 I397 A447 L450 L451 M454 Y482	G391-L395 PolarHBondContact O-N 3.34Å; Q392-L395 PolarHBondContact O-N 2.7Å; L395-I397 HydrophobicContact CD1-CD1 3.42Å; L395-I397 VanDerWaalsContact CD1-CD1 3.42Å; L395-I397 HydrophobicContact CD1-CG1 3.78Å; L395-I397 HydrophobicContact CG-CD1 4.25Å; L395-I397 HydrophobicContact CG-CG1 4.23Å; L395-A447 WeakPolarHBondContact CD1-O 3.42Å; L395-L450 HydrophobicContact CD1-CB 3.86Å; L395-L451 HydrophobicContact CD1-CB 4.41Å; L395-L451 HydrophobicContact CD2-CD1 4.41Å; L395-M454 HydrophobicContact CD2-CG 3.85Å; L395-Y482 HydrophobicContact CD2-CE2 4.01Å
396	N	83.1	Confident	86.6	Confident	110 Å²	110	60.4 Å²	60.4	59%	0.588	30%	0.297	S	S	*	.			trans	-117.5	72.5	178.3	-177.7	39	0	0	0	110	R394 K479	R394-N396 PolarHBondContact O-N 2.78Å; N396-K479 WeakPolarHBondContact OD1-CD 3.5Å; N396-K479 WeakPolarHBondContact OD1-CE 3.29Å; N396-K479 PolarHBondContact OD1-NZ 2.84Å
397	I	83.4	Confident	86.4	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.021	28%	0.282	C	S	.	.			trans	-118.5	131.6	-177.1	-60.8	-176.7	0	0	0	109.7	L395 E401 W405 A447 L451 L480	L395-I397 HydrophobicContact CD1-CD1 3.42Å; L395-I397 VanDerWaalsContact CD1-CD1 3.42Å; L395-I397 HydrophobicContact CD1-CG1 3.78Å; L395-I397 HydrophobicContact CG-CD1 4.25Å; L395-I397 HydrophobicContact CG-CG1 4.23Å; I397-E401 HydrophobicContact CG2-CB 3.67Å; I397-W405 HydrophobicContact CD1-CE3 4.1Å; I397-W405 HydrophobicContact CD1-CZ3 4.12Å; I397-W405 HydrophobicContact CG1-CZ3 4.22Å; I397-A447 HydrophobicContact CD1-CB 3.98Å; I397-A447 HydrophobicContact CG1-CB 4.41Å; I397-L451 HydrophobicContact CD1-CB 4.33Å; I397-L451 HydrophobicContact CD1-CD2 4.48Å; I397-L480 PolarHBondContact O-N 3.2Å
398	S	85.4	Confident	86.2	Confident	27 Å²	27	56.5 Å²	56.5	19%	0.189	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-77.2	159.3	170.7	63.2	0	0	0	0	112.1	K400 E401 Y402 E478	S398-K400 PolarHBondContact O-N 3Å; S398-E401 WeakPolarHBondContact CB-OE2 3.35Å; S398-E401 PolarHBondContact N-OE2 3.15Å; S398-E401 PolarHBondContact O-N 3.43Å; S398-E401 WeakPolarHBondContact OG-CB 3.47Å; S398-E401 VanDerWaalsContact OG-CD 3.3Å; S398-E401 VanDerWaalsContact OG-CG 3.27Å; S398-E401 WeakPolarHBondContact OG-CG 3.31Å; S398-E401 PolarHBondContact OG-N 2.81Å; S398-E401 PolarHBondContact OG-OE2 3.4Å; S398-Y402 WeakPolarHBondContact O-CB 3.37Å; S398-Y402 PolarHBondContact O-N 3.2Å; S398-E478 CarbonylContact C-O 3.21Å; S398-E478 WeakPolarHBondContact CA-O 3.26Å
399	V	85.3	Confident	85.9	Confident	40 Å²	40	56.5 Å²	56.5	24%	0.242	28%	0.282	C	S	.	.	H	α-helix	trans	-57.8	-35.1	174.4	173.6	0	0	0	0	111.2	Y402 N403 V474 E478 L480	V399-Y402 PolarHBondContact O-N 2.74Å; V399-N403 VanDerWaalsContact O-CG 3.24Å; V399-N403 PolarHBondContact O-N 2.86Å; V399-N403 PolarHBondContact O-ND2 2.9Å; V399-N403 VanDerWaalsContact O-ND2 3.16Å; V399-V474 HydrophobicContact CG2-CG1 3.82Å; V399-V474 HydrophobicContact CG2-CG2 3.98Å; V399-E478 WeakPolarHBondContact CG2-O 3.29Å; V399-E478 PolarHBondContact N-O 3Å; V399-L480 HydrophobicContact CG2-CD2 4.05Å; V399-L480 HydrophobicContact CG2-CG 4.48Å
400	K	85.9	Confident	85.6	Confident	135 Å²	135	52.5 Å²	52.5	59%	0.587	27%	0.265	S	S	*	.	H	α-helix	trans	-62.6	-53.6	175	-174.6	-177.1	175.1	-173.7	0	111.8	S398 Y402 N403 E404	S398-K400 PolarHBondContact O-N 3Å; K400-Y402 VanDerWaalsContact C-N 3.29Å; K400-Y402 PolarHBondContact O-N 3.43Å; K400-N403 PolarHBondContact O-N 2.99Å; K400-E404 WeakPolarHBondContact CE-OE1 3.42Å; K400-E404 WeakPolarHBondContact O-CG 3.16Å; K400-E404 PolarHBondContact O-N 3.16Å; K400-E404 VanDerWaalsContact O-N 3.08Å
401	E	85	Confident	85.2	Confident	63 Å²	63	50.8 Å²	50.8	29%	0.294	26%	0.257	S	S	.	.	H	α-helix	trans	-60.5	-40.1	177.5	-72.4	162	140.5	0	0	111.2	I397 S398 N403 E404 W405	I397-E401 HydrophobicContact CG2-CB 3.67Å; S398-E401 WeakPolarHBondContact CB-OE2 3.35Å; S398-E401 PolarHBondContact N-OE2 3.15Å; S398-E401 PolarHBondContact O-N 3.43Å; S398-E401 WeakPolarHBondContact OG-CB 3.47Å; S398-E401 VanDerWaalsContact OG-CD 3.3Å; S398-E401 VanDerWaalsContact OG-CG 3.27Å; S398-E401 WeakPolarHBondContact OG-CG 3.31Å; S398-E401 PolarHBondContact OG-N 2.81Å; S398-E401 PolarHBondContact OG-OE2 3.4Å; E401-N403 PolarHBondContact O-N 3.29Å; E401-E404 PolarHBondContact O-N 2.93Å; E401-W405 HydrophobicContact CB-CD2 4.23Å; E401-W405 HydrophobicContact CB-CE3 4.48Å; E401-W405 HydrophobicContact CB-CH2 4.44Å; E401-W405 HydrophobicContact CB-CZ2 4.2Å; E401-W405 HydrophobicContact CG-CH2 4.34Å; E401-W405 HydrophobicContact CG-CZ2 3.98Å; E401-W405 WeakPolarHBondContact O-CB 3.42Å; E401-W405 PolarHBondContact O-N 3.2Å
402	Y	84.7	Confident	85	Confident	57 Å²	57	50.9 Å²	50.9	22%	0.224	26%	0.258	C	S	.	.	H	α-helix	trans	-55.9	-50.3	174.1	173.6	-102	0	0	0	111.7	S398 V399 K400 E404 W405 N406 L451 Q455 L480	S398-Y402 WeakPolarHBondContact O-CB 3.37Å; S398-Y402 PolarHBondContact O-N 3.2Å; V399-Y402 PolarHBondContact O-N 2.74Å; K400-Y402 VanDerWaalsContact C-N 3.29Å; K400-Y402 PolarHBondContact O-N 3.43Å; Y402-E404 PolarHBondContact O-N 3.23Å; Y402-W405 PolarHBondContact O-N 3.02Å; Y402-N406 HydrophobicContact CD2-CB 4.35Å; Y402-N406 HydrophobicContact CE2-CB 4.05Å; Y402-N406 WeakPolarHBondContact O-CB 3.46Å; Y402-N406 PolarHBondContact O-N 3.35Å; Y402-N406 PolarHBondContact OH-ND2 3.22Å; Y402-L451 HydrophobicContact CD2-CD1 3.58Å; Y402-L451 HydrophobicContact CD2-CD2 3.67Å; Y402-L451 HydrophobicContact CD2-CG 4.15Å; Y402-L451 HydrophobicContact CE2-CD1 3.75Å; Y402-L451 HydrophobicContact CE2-CD2 3.96Å; Y402-L451 HydrophobicContact CE2-CG 4.19Å; Y402-Q455 PolarHBondContact OH-NE2 3.42Å; Y402-L480 HydrophobicContact CD1-CD1 4.45Å; Y402-L480 HydrophobicContact CD2-CD1 3.79Å; Y402-L480 HydrophobicContact CE2-CD1 4.49Å; Y402-L480 HydrophobicContact CG-CD1 3.76Å
403	N	85.1	Confident	85.1	Confident	110 Å²	110	49.6 Å²	49.6	59%	0.588	25%	0.252	S	S	*	.	H	α-helix	trans	-63.3	-31.2	-179.9	-70	-29.5	0	0	0	112.7	V399 K400 E401	V399-N403 VanDerWaalsContact O-CG 3.24Å; V399-N403 PolarHBondContact O-N 2.86Å; V399-N403 PolarHBondContact O-ND2 2.9Å; V399-N403 VanDerWaalsContact O-ND2 3.16Å; K400-N403 PolarHBondContact O-N 2.99Å; E401-N403 PolarHBondContact O-N 3.29Å
404	E	82.5	Confident	85	Confident	86 Å²	86	45.5 Å²	45.5	40%	0.402	22%	0.221	S	C	.	.	H	α-helix	trans	-80.6	-29.5	177.6	-70.4	175.2	-173	0	0	113.4	K400 E401 Y402	K400-E404 WeakPolarHBondContact CE-OE1 3.42Å; K400-E404 WeakPolarHBondContact O-CG 3.16Å; K400-E404 PolarHBondContact O-N 3.16Å; K400-E404 VanDerWaalsContact O-N 3.08Å; E401-E404 PolarHBondContact O-N 2.93Å; Y402-E404 PolarHBondContact O-N 3.23Å
405	W	84.8	Confident	84.9	Confident	30 Å²	30	39.9 Å²	39.9	11%	0.114	20%	0.2	C	C	.	.	H	α-helix	trans	-105	-17.1	-169.9	-62.6	3	0	0	0	113.5	I397 E401 Y402 D407 L408 V439 A447 L448 R452	I397-W405 HydrophobicContact CD1-CE3 4.1Å; I397-W405 HydrophobicContact CD1-CZ3 4.12Å; I397-W405 HydrophobicContact CG1-CZ3 4.22Å; E401-W405 HydrophobicContact CB-CD2 4.23Å; E401-W405 HydrophobicContact CB-CE3 4.48Å; E401-W405 HydrophobicContact CB-CH2 4.44Å; E401-W405 HydrophobicContact CB-CZ2 4.2Å; E401-W405 HydrophobicContact CG-CH2 4.34Å; E401-W405 HydrophobicContact CG-CZ2 3.98Å; E401-W405 WeakPolarHBondContact O-CB 3.42Å; E401-W405 PolarHBondContact O-N 3.2Å; Y402-W405 PolarHBondContact O-N 3.02Å; W405-D407 PolarHBondContact O-N 3.49Å; W405-D407 VanDerWaalsContact O-N 3.15Å; W405-L408 HydrophobicContact CB-CD1 4.1Å; W405-L408 HydrophobicContact CG-CD1 4.1Å; W405-L408 WeakPolarHBondContact O-CB 3.38Å; W405-L408 PolarHBondContact O-N 3.27Å; W405-V439 HydrophobicContact CZ2-CG1 4.11Å; W405-V439 HydrophobicContact CZ2-CG2 4.32Å; W405-A447 HydrophobicContact CZ3-CB 4.06Å; W405-L448 HydrophobicContact CB-CD2 3.84Å; W405-L448 VanDerWaalsContact O-CD2 3.31Å; W405-L448 WeakPolarHBondContact O-CD2 3.49Å; W405-R452 PolarHBondContact O-NH2 3.4Å; W405-R452 VanDerWaalsContact O-NH2 3.15Å
406	N	84.7	Confident	85.1	Confident	53 Å²	53	39.3 Å²	39.3	28%	0.283	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.4	-170.7	-177.1	35.2	0	0	0	113.9	Y402 R452 Q455	Y402-N406 HydrophobicContact CD2-CB 4.35Å; Y402-N406 HydrophobicContact CE2-CB 4.05Å; Y402-N406 WeakPolarHBondContact O-CB 3.46Å; Y402-N406 PolarHBondContact O-N 3.35Å; Y402-N406 PolarHBondContact OH-ND2 3.22Å; N406-R452 VanDerWaalsContact C-NH2 3.31Å; N406-R452 PolarHBondContact O-NH1 3.22Å; N406-R452 PolarHBondContact O-NH2 2.85Å; N406-R452 PolarHBondContact OD1-NH1 3.37Å; N406-Q455 PolarHBondContact OD1-NE2 3.42Å
407	D	87.3	Confident	85.3	Confident	49 Å²	49	36.1 Å²	36.1	26%	0.262	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	0.7	175.3	61.5	-3.4	0	0	0	113.3	W405 L429 D430	W405-D407 PolarHBondContact O-N 3.49Å; W405-D407 VanDerWaalsContact O-N 3.15Å; D407-L429 CarbonylContact O-C 3.36Å; D407-L429 WeakPolarHBondContact O-CA 3.44Å; D407-L429 WeakPolarHBondContact O-CD2 3.48Å; D407-D430 HydrophobicContact CB-CB 4.41Å; D407-D430 PolarHBondContact O-N 3.48Å
408	L	87	Confident	85.6	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.016	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-69.4	132	179.9	-68.2	178.4	0	0	0	111.3	W405 V433 F436 R437 L448 R452	W405-L408 HydrophobicContact CB-CD1 4.1Å; W405-L408 HydrophobicContact CG-CD1 4.1Å; W405-L408 WeakPolarHBondContact O-CB 3.38Å; W405-L408 PolarHBondContact O-N 3.27Å; L408-V433 HydrophobicContact CD2-CG1 3.99Å; L408-F436 HydrophobicContact CD1-CD1 4.27Å; L408-R437 HydrophobicContact CD2-CG 4.34Å; L408-L448 HydrophobicContact CB-CD1 4.33Å; L408-R452 PolarHBondContact O-NH2 3.12Å; L408-R452 VanDerWaalsContact O-NH2 3.07Å
409	P	86.2	Confident	86.1	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.006	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-80.8	144	175.7	33.8	-36.3	0	0	0	111.7	D413 L429 D430 L431	P409-D413 HydrophobicContact CB-CB 3.97Å; P409-L429 HydrophobicContact CB-CD1 4.16Å; P409-D430 WeakPolarHBondContact CD-O 3.18Å; P409-L431 HydrophobicContact CB-CD2 3.68Å; P409-L431 HydrophobicContact CG-CD2 4.26Å
410	L	84.2	Confident	86.5	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-79.8	159.7	165.8	-64.7	175.9	0	0	0	110.2	Y355 T412 D413 R414 F436 L448 L449	Y355-L410 HydrophobicContact CD1-CD1 4Å; Y355-L410 HydrophobicContact CD2-CD1 3.8Å; Y355-L410 HydrophobicContact CE1-CD1 3.95Å; Y355-L410 HydrophobicContact CE2-CD1 3.7Å; Y355-L410 HydrophobicContact CG-CD1 3.94Å; L410-T412 PolarHBondContact O-N 3.07Å; L410-T412 VanDerWaalsContact O-N 3.12Å; L410-D413 WeakPolarHBondContact CB-OD2 3.48Å; L410-D413 PolarHBondContact N-OD2 3.21Å; L410-D413 WeakPolarHBondContact O-CB 3.39Å; L410-D413 PolarHBondContact O-N 3.07Å; L410-R414 PolarHBondContact O-N 3.2Å; L410-F436 HydrophobicContact CD2-CZ 4.47Å; L410-L448 HydrophobicContact CD2-CB 3.85Å; L410-L448 HydrophobicContact CD2-CD1 4Å; L410-L449 HydrophobicContact CD1-CD2 3.47Å; L410-L449 VanDerWaalsContact CD1-CD2 3.47Å; L410-L449 HydrophobicContact CD1-CG 3.99Å
411	P	80.7	Confident	86.8	Confident	34 Å²	34	31.7 Å²	31.7	22%	0.221	16%	0.158	C	C	.	.	H	α-helix	trans	-51.5	-36.2	174.9	-28.6	35.9	0	0	0	113.5	D413 R414 L415 F710	P411-D413 PolarHBondContact O-N 2.69Å; P411-R414 PolarHBondContact O-N 2.92Å; P411-L415 PolarHBondContact O-N 3.31Å; P411-F710 HydrophobicContact CB-CE1 4.37Å
412	T	85.6	Confident	87.3	Confident	2 Å²	2	28.7 Å²	28.7	1%	0.012	14%	0.144	C	C	.	.	H	α-helix	trans	-64	-37.3	176.1	-61.8	0	0	0	0	113.1	M294 N352 L410 R414 L415 M416 W707	M294-T412 HydrophobicContact CE-CG2 3.93Å; N352-T412 HydrophobicContact CB-CG2 4.16Å; N352-T412 WeakPolarHBondContact CB-OG1 3.3Å; N352-T412 PolarHBondContact OD1-OG1 2.9Å; L410-T412 PolarHBondContact O-N 3.07Å; L410-T412 VanDerWaalsContact O-N 3.12Å; T412-R414 VanDerWaalsContact C-N 3.28Å; T412-R414 PolarHBondContact O-N 3.1Å; T412-L415 PolarHBondContact O-N 2.99Å; T412-M416 HydrophobicContact CG2-CG 4.26Å; T412-M416 WeakPolarHBondContact O-CB 3.21Å; T412-M416 VanDerWaalsContact O-CG 3.27Å; T412-M416 WeakPolarHBondContact O-CG 3.39Å; T412-M416 PolarHBondContact O-N 3.32Å; T412-W707 HydrophobicContact CG2-CH2 4.18Å
413	D	89.2	Confident	87.5	Confident	4 Å²	4	29.1 Å²	29.1	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-62.4	-39	176.6	-62.5	-57	0	0	0	111.1	Y355 P409 L410 P411 M416 E417 H426 L429 L431	Y355-D413 VanDerWaalsContact CE1-OD1 3.25Å; Y355-D413 WeakPolarHBondContact CE1-OD1 3.23Å; Y355-D413 VanDerWaalsContact CZ-OD1 3.3Å; Y355-D413 PolarHBondContact OH-OD1 2.99Å; Y355-D413 PolarHBondContact OH-OD2 3.45Å; P409-D413 HydrophobicContact CB-CB 3.97Å; L410-D413 WeakPolarHBondContact CB-OD2 3.48Å; L410-D413 PolarHBondContact N-OD2 3.21Å; L410-D413 WeakPolarHBondContact O-CB 3.39Å; L410-D413 PolarHBondContact O-N 3.07Å; P411-D413 PolarHBondContact O-N 2.69Å; D413-M416 CarbonylContact O-C 3.48Å; D413-M416 PolarHBondContact O-N 3.38Å; D413-E417 PolarHBondContact O-N 3.07Å; D413-H426 IonicContact OD1-CD2 3.03Å; D413-H426 IonicContact OD1-NE2 2.74Å; D413-L429 HydrophobicContact CB-CD1 3.83Å; D413-L429 WeakPolarHBondContact OD2-CD1 3.46Å; D413-L431 HydrophobicContact CB-CD2 4.18Å
414	R	83.1	Confident	87.8	Confident	14 Å²	14	25 Å²	25	5%	0.053	14%	0.135	C	C	.	.	H	α-helix	trans	-68.7	-41.9	176.7	-58.4	-177.6	-165.9	-91.6	1.3	112	L410 P411 T412 M416 E417 L431 V433	L410-R414 PolarHBondContact O-N 3.2Å; P411-R414 PolarHBondContact O-N 2.92Å; T412-R414 VanDerWaalsContact C-N 3.28Å; T412-R414 PolarHBondContact O-N 3.1Å; R414-M416 PolarHBondContact O-N 3.48Å; R414-E417 WeakPolarHBondContact O-CB 3.14Å; R414-E417 PolarHBondContact O-N 3.04Å; R414-E417 VanDerWaalsContact O-N 3.13Å; R414-L431 PolarHBondContact NH1-O 3.18Å; R414-V433 PolarHBondContact NH1-O 3.37Å; R414-V433 PolarHBondContact NH2-O 3.21Å
415	L	84	Confident	88.2	Confident	3 Å²	3	21 Å²	21	2%	0.016	12%	0.117	C	C	.	.	H	α-helix	trans	-63.8	-32	176.9	-176.4	66.4	0	0	0	111.9	V134 R216 P411 T412 W707 F710	V134-L415 HydrophobicContact CB-CD1 4.04Å; V134-L415 HydrophobicContact CG1-CD1 3.76Å; R216-L415 PolarHBondContact NH1-O 3.14Å; R216-L415 PolarHBondContact NH2-O 3.44Å; P411-L415 PolarHBondContact O-N 3.31Å; T412-L415 PolarHBondContact O-N 2.99Å; L415-W707 HydrophobicContact CD2-CD2 4.11Å; L415-W707 HydrophobicContact CD2-CE3 4.13Å; L415-W707 HydrophobicContact CD2-CH2 3.31Å; L415-W707 HydrophobicContact CD2-CZ2 3.22Å; L415-W707 HydrophobicContact CD2-CZ3 3.74Å; L415-F710 HydrophobicContact CB-CZ 4.44Å; L415-F710 HydrophobicContact CD1-CZ 4.2Å; L415-F710 HydrophobicContact CD2-CE2 4.18Å; L415-F710 HydrophobicContact CD2-CZ 3.91Å; L415-F710 HydrophobicContact CG-CZ 4.4Å
416	M	89.9	Confident	88.4	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.005	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	0.5	177.6	-62	-57.7	-65.5	0	0	112.9	R216 I298 T412 D413 R414 G418 F419 L422 H426	R216-M416 PolarHBondContact NH1-SD 3.34Å; I298-M416 HydrophobicContact CD1-CE 3.4Å; I298-M416 HydrophobicContact CG1-CE 3.85Å; T412-M416 HydrophobicContact CG2-CG 4.26Å; T412-M416 WeakPolarHBondContact O-CB 3.21Å; T412-M416 VanDerWaalsContact O-CG 3.27Å; T412-M416 WeakPolarHBondContact O-CG 3.39Å; T412-M416 PolarHBondContact O-N 3.32Å; D413-M416 CarbonylContact O-C 3.48Å; D413-M416 PolarHBondContact O-N 3.38Å; R414-M416 PolarHBondContact O-N 3.48Å; M416-G418 PolarHBondContact O-N 3.24Å; M416-F419 HydrophobicContact CE-CB 4.29Å; M416-F419 HydrophobicContact CE-CD1 3.62Å; M416-F419 HydrophobicContact CE-CE1 4.11Å; M416-F419 HydrophobicContact CE-CG 4.04Å; M416-F419 WeakPolarHBondContact O-CB 3.3Å; M416-F419 PolarHBondContact O-N 3.21Å; M416-L422 HydrophobicContact CB-CD1 4.14Å; M416-L422 HydrophobicContact CE-CD1 3.7Å; M416-L422 HydrophobicContact CG-CD1 4.33Å; M416-H426 PolarHBondContact O-CE1 2.89Å
417	E	88.7	Confident	88.5	Confident	43 Å²	43	19.6 Å²	19.6	20%	0.201	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	140.7	177.5	-178.3	172.2	-157.9	0	0	110.2	T188 H189 D413 R414 F419 L431	T188-E417 WeakPolarHBondContact CB-O 3.48Å; T188-E417 PolarHBondContact OG1-O 3.19Å; H189-E417 IonicContact CE1-OE1 2.71Å; H189-E417 IonicContact NE2-OE1 2.72Å; D413-E417 PolarHBondContact O-N 3.07Å; R414-E417 WeakPolarHBondContact O-CB 3.14Å; R414-E417 PolarHBondContact O-N 3.04Å; R414-E417 VanDerWaalsContact O-N 3.13Å; E417-F419 PolarHBondContact O-N 3.15Å; E417-L431 HydrophobicContact CG-CD1 3.95Å
418	G	89.5	Confident	88.5	Confident	11 Å²	11	18.6 Å²	18.6	11%	0.113	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	-5.4	-175.6	0	0	0	0	0	115.5	H189 S220 T221 M416 Q420	H189-G418 WeakPolarHBondContact ND1-CA 3.26Å; S220-G418 CarbonylContact C-O 3.43Å; S220-G418 WeakPolarHBondContact CA-O 3.37Å; T221-G418 PolarHBondContact N-O 2.86Å; T221-G418 WeakPolarHBondContact OG1-CA 3.37Å; T221-G418 PolarHBondContact OG1-O 2.64Å; M416-G418 PolarHBondContact O-N 3.24Å; G418-Q420 PolarHBondContact O-N 2.95Å
419	F	94.7	Very high	88.6	Confident	1 Å²	1	19.3 Å²	19.3	0%	0.004	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-76.6	109.3	171.6	-171.3	-119.9	0	0	0	110.8	H219 I298 M416 E417 L421 L422	H219-F419 HydrophobicContact CB-CD2 3.99Å; H219-F419 HydrophobicContact CB-CE2 3.64Å; H219-F419 HydrophobicContact CB-CZ 4.41Å; H219-F419 CarbonylContact O-C 3.57Å; H219-F419 WeakPolarHBondContact O-CA 3.23Å; I298-F419 HydrophobicContact CD1-CD1 4.47Å; I298-F419 HydrophobicContact CD1-CE1 3.87Å; I298-F419 HydrophobicContact CG2-CE1 4.08Å; I298-F419 HydrophobicContact CG2-CE2 4.36Å; I298-F419 HydrophobicContact CG2-CZ 3.68Å; M416-F419 HydrophobicContact CE-CB 4.29Å; M416-F419 HydrophobicContact CE-CD1 3.62Å; M416-F419 HydrophobicContact CE-CE1 4.11Å; M416-F419 HydrophobicContact CE-CG 4.04Å; M416-F419 WeakPolarHBondContact O-CB 3.3Å; M416-F419 PolarHBondContact O-N 3.21Å; E417-F419 PolarHBondContact O-N 3.15Å; F419-L421 VanDerWaalsContact C-N 3.27Å; F419-L421 HydrophobicContact CD1-CB 4.17Å; F419-L421 HydrophobicContact CE1-CB 3.65Å; F419-L421 HydrophobicContact CE1-CD1 4.17Å; F419-L421 HydrophobicContact CE1-CG 4.1Å; F419-L421 HydrophobicContact CE2-CG 4.5Å; F419-L421 HydrophobicContact CZ-CB 4.03Å; F419-L421 HydrophobicContact CZ-CD1 3.73Å; F419-L421 HydrophobicContact CZ-CG 3.93Å; F419-L421 PolarHBondContact O-N 3.01Å; F419-L422 HydrophobicContact CD1-CB 4.21Å; F419-L422 HydrophobicContact CD1-CD1 3.89Å; F419-L422 HydrophobicContact CD1-CG 3.81Å; F419-L422 HydrophobicContact CE1-CD1 4.43Å; F419-L422 HydrophobicContact CE1-CG 4.26Å; F419-L422 PolarHBondContact O-N 2.79Å; F419-L422 VanDerWaalsContact O-N 3.07Å
420	Q	93.5	Very high	88.6	Confident	80 Å²	80	21.5 Å²	21.5	37%	0.374	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-61.1	-30.3	-169.5	-68.7	-180	-17.7	0	0	113.8	H219 S220 G418 L422 S423	H219-Q420 WeakPolarHBondContact O-CB 3.34Å; H219-Q420 WeakPolarHBondContact O-CG 3.49Å; H219-Q420 PolarHBondContact O-N 3.36Å; S220-Q420 PolarHBondContact O-NE2 3.05Å; G418-Q420 PolarHBondContact O-N 2.95Å; Q420-L422 PolarHBondContact O-N 3.43Å; Q420-S423 VanDerWaalsContact O-CB 3.26Å; Q420-S423 WeakPolarHBondContact O-CB 3.48Å; Q420-S423 PolarHBondContact O-N 3.07Å; Q420-S423 VanDerWaalsContact O-N 3.15Å; Q420-S423 PolarHBondContact O-OG 3.31Å
421	L	93.6	Very high	88.5	Confident	21 Å²	21	23.1 Å²	23.1	11%	0.11	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-72.5	-7.9	179.9	-51.2	-174.6	0	0	0	113.8	H219 L301 Q305 F419	H219-L421 HydrophobicContact CB-CD1 4.5Å; H219-L421 HydrophobicContact CB-CG 4.07Å; L301-L421 HydrophobicContact CB-CD1 4.04Å; Q305-L421 HydrophobicContact CB-CD1 4.12Å; Q305-L421 HydrophobicContact CB-CD2 3.93Å; Q305-L421 HydrophobicContact CG-CD2 3.73Å; F419-L421 VanDerWaalsContact C-N 3.27Å; F419-L421 HydrophobicContact CD1-CB 4.17Å; F419-L421 HydrophobicContact CE1-CB 3.65Å; F419-L421 HydrophobicContact CE1-CD1 4.17Å; F419-L421 HydrophobicContact CE1-CG 4.1Å; F419-L421 HydrophobicContact CE2-CG 4.5Å; F419-L421 HydrophobicContact CZ-CB 4.03Å; F419-L421 HydrophobicContact CZ-CD1 3.73Å; F419-L421 HydrophobicContact CZ-CG 3.93Å; F419-L421 PolarHBondContact O-N 3.01Å
422	L	94.2	Very high	88.2	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-120.8	19.2	174.8	-66.1	179.4	0	0	0	111	I298 L301 T356 W360 M416 F419 Q420 S424 C425 H426	I298-L422 HydrophobicContact CD1-CD1 4.22Å; L301-L422 HydrophobicContact CD1-CD2 4.18Å; T356-L422 HydrophobicContact CG2-CD1 3.68Å; T356-L422 HydrophobicContact CG2-CD2 4.19Å; W360-L422 HydrophobicContact CB-CD2 3.81Å; W360-L422 HydrophobicContact CG-CD2 4.21Å; M416-L422 HydrophobicContact CB-CD1 4.14Å; M416-L422 HydrophobicContact CE-CD1 3.7Å; M416-L422 HydrophobicContact CG-CD1 4.33Å; F419-L422 HydrophobicContact CD1-CB 4.21Å; F419-L422 HydrophobicContact CD1-CD1 3.89Å; F419-L422 HydrophobicContact CD1-CG 3.81Å; F419-L422 HydrophobicContact CE1-CD1 4.43Å; F419-L422 HydrophobicContact CE1-CG 4.26Å; F419-L422 PolarHBondContact O-N 2.79Å; F419-L422 VanDerWaalsContact O-N 3.07Å; Q420-L422 PolarHBondContact O-N 3.43Å; L422-S424 VanDerWaalsContact C-N 3.35Å; L422-S424 PolarHBondContact O-N 2.93Å; L422-C425 PolarHBondContact O-SG 3.23Å; L422-H426 PolarHBondContact O-N 3.45Å; L422-H426 VanDerWaalsContact O-N 3.14Å; L422-H426 PolarHBondContact O-ND1 2.9Å
423	S	90.2	Very high	87.5	Confident	65 Å²	65	25.4 Å²	25.4	46%	0.455	15%	0.151	S	C	.	.	H	α-helix	trans	-66.6	-35	-173.8	55.2	0	0	0	0	112.8	Q420 H426 S427	Q420-S423 VanDerWaalsContact O-CB 3.26Å; Q420-S423 WeakPolarHBondContact O-CB 3.48Å; Q420-S423 PolarHBondContact O-N 3.07Å; Q420-S423 VanDerWaalsContact O-N 3.15Å; Q420-S423 PolarHBondContact O-OG 3.31Å; S423-H426 PolarHBondContact O-N 3.31Å; S423-S427 WeakPolarHBondContact O-CB 3.36Å; S423-S427 PolarHBondContact O-N 3.38Å
424	S	90.3	Very high	86.1	Confident	25 Å²	25	26.2 Å²	26.2	18%	0.175	16%	0.16	C	C	.	.	H	α-helix	trans	-70.8	-43.7	-179.9	-42.3	0	0	0	0	110.6	F363 D364 L422 H426 S427	F363-S424 WeakPolarHBondContact O-CB 3.49Å; D364-S424 WeakPolarHBondContact OD1-CA 3.45Å; D364-S424 WeakPolarHBondContact OD1-CB 3.45Å; D364-S424 PolarHBondContact OD1-N 3.23Å; D364-S424 PolarHBondContact OD1-OG 3.48Å; L422-S424 VanDerWaalsContact C-N 3.35Å; L422-S424 PolarHBondContact O-N 2.93Å; S424-H426 VanDerWaalsContact C-N 3.33Å; S424-H426 PolarHBondContact O-N 3.15Å; S424-S427 PolarHBondContact O-N 3.44Å; S424-S427 PolarHBondContact O-OG 3.01Å
425	C	90.6	Very high	85.1	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.014	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-40	176.4	69.4	0	0	0	0	112	R359 F363 D364 L422 S428	R359-C425 HydrophobicContact CB-CB 4.06Å; R359-C425 PolarHBondContact NH2-O 3.13Å; F363-C425 HydrophobicContact CB-CB 3.97Å; F363-C425 HydrophobicContact CD2-CB 4.12Å; F363-C425 HydrophobicContact CG-CB 4.27Å; D364-C425 WeakPolarHBondContact OD2-CB 3.46Å; D364-C425 PolarHBondContact OD2-N 3.41Å; L422-C425 PolarHBondContact O-SG 3.23Å; C425-S428 PolarHBondContact O-N 3.15Å; C425-S428 PolarHBondContact O-OG 2.92Å
426	H	89.6	Confident	83.9	Confident	14 Å²	14	33.4 Å²	33.4	7%	0.065	19%	0.194	C	C	.	.	H	α-helix	trans	-68.7	-33.5	175.8	-63.8	148.8	0	0	0	113.2	D413 M416 L422 S423 S424 S428 L429 L431	D413-H426 IonicContact OD1-CD2 3.03Å; D413-H426 IonicContact OD1-NE2 2.74Å; M416-H426 PolarHBondContact O-CE1 2.89Å; L422-H426 PolarHBondContact O-N 3.45Å; L422-H426 VanDerWaalsContact O-N 3.14Å; L422-H426 PolarHBondContact O-ND1 2.9Å; S423-H426 PolarHBondContact O-N 3.31Å; S424-H426 VanDerWaalsContact C-N 3.33Å; S424-H426 PolarHBondContact O-N 3.15Å; H426-S428 PolarHBondContact O-N 2.88Å; H426-S428 VanDerWaalsContact O-N 3.1Å; H426-L429 WeakPolarHBondContact O-CB 2.93Å; H426-L429 PolarHBondContact O-N 3.05Å; H426-L431 HydrophobicContact CB-CD1 4.05Å
427	S	87.8	Confident	82.6	Confident	38 Å²	38	39.8 Å²	39.8	27%	0.266	22%	0.218	S	C	.	.	H	α-helix	trans	-63.1	-18.4	179.3	75.2	0	0	0	0	114.4	S423 S424	S423-S427 WeakPolarHBondContact O-CB 3.36Å; S423-S427 PolarHBondContact O-N 3.38Å; S424-S427 PolarHBondContact O-N 3.44Å; S424-S427 PolarHBondContact O-OG 3.01Å
428	S	86.1	Confident	81	Confident	28 Å²	28	41.6 Å²	41.6	20%	0.196	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-1.5	176.2	68.3	0	0	0	0	113.8	R359 C425 H426	R359-S428 PolarHBondContact NH2-OG 3.48Å; C425-S428 PolarHBondContact O-N 3.15Å; C425-S428 PolarHBondContact O-OG 2.92Å; H426-S428 PolarHBondContact O-N 2.88Å; H426-S428 VanDerWaalsContact O-N 3.1Å
429	L	89	Confident	79.4	Confident	18 Å²	18	43.1 Å²	43.1	9%	0.094	26%	0.255	C	S	.	.	S	Bend	trans	-110.2	154	180	-63.7	174.8	0	0	0	111.1	R359 D407 P409 D413 H426 L431	R359-L429 VanDerWaalsContact NH1-CD2 3.26Å; D407-L429 CarbonylContact O-C 3.36Å; D407-L429 WeakPolarHBondContact O-CA 3.44Å; D407-L429 WeakPolarHBondContact O-CD2 3.48Å; P409-L429 HydrophobicContact CB-CD1 4.16Å; D413-L429 HydrophobicContact CB-CD1 3.83Å; D413-L429 WeakPolarHBondContact OD2-CD1 3.46Å; H426-L429 WeakPolarHBondContact O-CB 2.93Å; H426-L429 PolarHBondContact O-N 3.05Å; L429-L431 PolarHBondContact O-N 3.44Å
430	D	86.2	Confident	77.5	Confident	48 Å²	48	46.1 Å²	46.1	26%	0.257	28%	0.28	S	S	.	.			trans	-92.7	84.8	169.3	-174.6	3.4	0	0	0	110.3	D407 P409 S432 V433 R437	D407-D430 HydrophobicContact CB-CB 4.41Å; D407-D430 PolarHBondContact O-N 3.48Å; P409-D430 WeakPolarHBondContact CD-O 3.18Å; D430-S432 PolarHBondContact O-N 2.93Å; D430-S432 WeakPolarHBondContact OD1-CB 3.34Å; D430-S432 PolarHBondContact OD1-N 3.25Å; D430-S432 PolarHBondContact OD1-OG 3.41Å; D430-V433 HydrophobicContact CB-CG2 4.24Å; D430-V433 WeakPolarHBondContact OD2-CG2 3.33Å; D430-R437 IonicContact OD2-NH2 2.76Å; D430-R437 PolarHBondContact OD2-NH2 3.15Å
431	L	81.6	Confident	76	Confident	33 Å²	33	46.9 Å²	46.9	17%	0.173	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-11.8	178.7	-67.9	169.9	0	0	0	113.5	P409 D413 R414 E417 H426 L429 V433	P409-L431 HydrophobicContact CB-CD2 3.68Å; P409-L431 HydrophobicContact CG-CD2 4.26Å; D413-L431 HydrophobicContact CB-CD2 4.18Å; R414-L431 PolarHBondContact NH1-O 3.18Å; E417-L431 HydrophobicContact CG-CD1 3.95Å; H426-L431 HydrophobicContact CB-CD1 4.05Å; L429-L431 PolarHBondContact O-N 3.44Å; L431-V433 VanDerWaalsContact C-N 3.32Å; L431-V433 PolarHBondContact O-N 3.49Å
432	S	75.3	Confident	74.4	Confident	66 Å²	66	52.1 Å²	52.1	46%	0.462	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-21.4	-179.2	78.5	0	0	0	0	113.6	D430 G434	D430-S432 PolarHBondContact O-N 2.93Å; D430-S432 WeakPolarHBondContact OD1-CB 3.34Å; D430-S432 PolarHBondContact OD1-N 3.25Å; D430-S432 PolarHBondContact OD1-OG 3.41Å; S432-G434 PolarHBondContact O-N 3.25Å
433	V	71.6	Confident	72.8	Confident	19 Å²	19	56.2 Å²	56.2	12%	0.115	34%	0.338	C	S	.	.			trans	-68.9	112.5	-179.8	172.4	0	0	0	0	108.8	L408 R414 D430 L431 Q435 R437	L408-V433 HydrophobicContact CD2-CG1 3.99Å; R414-V433 PolarHBondContact NH1-O 3.37Å; R414-V433 PolarHBondContact NH2-O 3.21Å; D430-V433 HydrophobicContact CB-CG2 4.24Å; D430-V433 WeakPolarHBondContact OD2-CG2 3.33Å; L431-V433 VanDerWaalsContact C-N 3.32Å; L431-V433 PolarHBondContact O-N 3.49Å; V433-Q435 WeakPolarHBondContact CG1-O 3.36Å; V433-R437 HydrophobicContact CG1-CG 3.94Å
434	G	59.4	Low	71.9	Confident	20 Å²	20	53.2 Å²	53.2	21%	0.206	32%	0.317	C	S	.	.			trans	-76.4	-33.2	-174.3	0	0	0	0	0	115.9	S139 S432	S139-G434 VanDerWaalsContact OG-CA 3.3Å; S139-G434 WeakPolarHBondContact OG-CA 3.25Å; S432-G434 PolarHBondContact O-N 3.25Å
435	Q	61.2	Low	71.3	Confident	154 Å²	154	53.6 Å²	53.6	72%	0.72	32%	0.316	S	S	*	.	S	Bend	trans	-128.8	159.3	177.2	-70.2	179.1	-2.5	0	0	109.5	V433 R437	V433-Q435 WeakPolarHBondContact CG1-O 3.36Å; Q435-R437 PolarHBondContact O-N 3.38Å
436	F	60	Low	71	Confident	14 Å²	14	57.2 Å²	57.2	6%	0.061	34%	0.335	C	S	.	.			trans	-61.7	44.7	179.5	-86.8	-76.2	0	0	0	114.5	L408 L410 G438 V439 E441 A444 L448	L408-F436 HydrophobicContact CD1-CD1 4.27Å; L410-F436 HydrophobicContact CD2-CZ 4.47Å; F436-G438 PolarHBondContact O-N 3.05Å; F436-V439 HydrophobicContact CB-CB 4.36Å; F436-V439 WeakPolarHBondContact O-CB 3.5Å; F436-V439 WeakPolarHBondContact O-CG2 3.32Å; F436-V439 PolarHBondContact O-N 2.97Å; F436-E441 HydrophobicContact CD2-CB 4.43Å; F436-E441 HydrophobicContact CD2-CG 4.13Å; F436-A444 HydrophobicContact CD1-CB 4.29Å; F436-L448 HydrophobicContact CD1-CD1 4.25Å; F436-L448 HydrophobicContact CE1-CD1 3.44Å; F436-L448 VanDerWaalsContact CE1-CD1 3.44Å; F436-L448 HydrophobicContact CZ-CD1 4.29Å
437	R	62.2	Low	70.7	Confident	135 Å²	135	57.5 Å²	57.5	51%	0.509	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	39.1	40.6	178.9	-60.9	-174.2	-177.1	176.7	4.8	113.7	L408 D430 V433 Q435	L408-R437 HydrophobicContact CD2-CG 4.34Å; D430-R437 IonicContact OD2-NH2 2.76Å; D430-R437 PolarHBondContact OD2-NH2 3.15Å; V433-R437 HydrophobicContact CG1-CG 3.94Å; Q435-R437 PolarHBondContact O-N 3.38Å
438	G	54.2	Low	70.7	Confident	81 Å²	81	55.7 Å²	55.7	84%	0.835	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	3.2	-178.9	0	0	0	0	0	116.8	F436	F436-G438 PolarHBondContact O-N 3.05Å
439	V	56	Low	70.9	Confident	43 Å²	43	54.8 Å²	54.8	26%	0.261	32%	0.32	S	S	.	.			trans	-81.5	135	175.5	-164.4	0	0	0	0	110	W405 F436 E441 A444	W405-V439 HydrophobicContact CZ2-CG1 4.11Å; W405-V439 HydrophobicContact CZ2-CG2 4.32Å; F436-V439 HydrophobicContact CB-CB 4.36Å; F436-V439 WeakPolarHBondContact O-CB 3.5Å; F436-V439 WeakPolarHBondContact O-CG2 3.32Å; F436-V439 PolarHBondContact O-N 2.97Å; V439-E441 PolarHBondContact O-N 3.42Å; V439-A444 HydrophobicContact CB-CB 4.22Å; V439-A444 HydrophobicContact CG1-CB 3.62Å
440	A	55.7	Low	70.9	Confident	64 Å²	64	54.2 Å²	54.2	53%	0.529	32%	0.318	S	S	.	.			trans	-55.9	125.4	173.3	0	0	0	0	0	110.3	N442 P443 A444	A440-N442 VanDerWaalsContact C-N 3.33Å; A440-N442 PolarHBondContact O-N 3.1Å; A440-P443 HydrophobicContact CB-CG 3.76Å; A440-P443 VanDerWaalsContact O-CD 3.28Å; A440-P443 WeakPolarHBondContact O-CD 3.05Å; A440-P443 WeakPolarHBondContact O-CG 3.27Å; A440-A444 WeakPolarHBondContact O-CB 3.42Å; A440-A444 PolarHBondContact O-N 2.99Å
441	E	60.5	Low	71.1	Confident	97 Å²	97	52 Å²	52	45%	0.453	31%	0.305	S	S	.	.	H	α-helix	trans	-56.4	-43.5	-167.3	-61.4	-174.5	152.8	0	0	112.7	F436 V439 H445	F436-E441 HydrophobicContact CD2-CB 4.43Å; F436-E441 HydrophobicContact CD2-CG 4.13Å; V439-E441 PolarHBondContact O-N 3.42Å; E441-H445 VanDerWaalsContact O-CB 3.23Å; E441-H445 WeakPolarHBondContact O-CB 3.45Å; E441-H445 PolarHBondContact O-N 3.47Å
442	N	60.7	Low	71.4	Confident	131 Å²	131	50.8 Å²	50.8	70%	0.701	30%	0.299	S	S	*	.	H	α-helix	trans	-70.9	-52	-173.4	-74.1	-21.4	0	0	0	115.1	A440 A444 H445 N446	A440-N442 VanDerWaalsContact C-N 3.33Å; A440-N442 PolarHBondContact O-N 3.1Å; N442-A444 VanDerWaalsContact C-N 3.32Å; N442-A444 PolarHBondContact O-N 2.75Å; N442-H445 PolarHBondContact O-N 2.9Å; N442-N446 PolarHBondContact O-N 2.79Å
443	P	59.7	Low	72.2	Confident	85 Å²	85	48.1 Å²	48.1	55%	0.552	28%	0.279	S	S	*	.	H	α-helix	trans	-66.1	-34.4	177.9	23.1	-32.1	0	0	0	112.4	A440 A447	A440-P443 HydrophobicContact CB-CG 3.76Å; A440-P443 VanDerWaalsContact O-CD 3.28Å; A440-P443 WeakPolarHBondContact O-CD 3.05Å; A440-P443 WeakPolarHBondContact O-CG 3.27Å; P443-A447 WeakPolarHBondContact O-CB 3.32Å; P443-A447 PolarHBondContact O-N 3.19Å
444	A	72.3	Confident	73.1	Confident	2 Å²	2	47.2 Å²	47.2	2%	0.017	27%	0.274	C	S	.	.	H	α-helix	trans	-63.8	-41.8	174.5	0	0	0	0	0	112.2	F436 V439 A440 N442 A447 L448	F436-A444 HydrophobicContact CD1-CB 4.29Å; V439-A444 HydrophobicContact CB-CB 4.22Å; V439-A444 HydrophobicContact CG1-CB 3.62Å; A440-A444 WeakPolarHBondContact O-CB 3.42Å; A440-A444 PolarHBondContact O-N 2.99Å; N442-A444 VanDerWaalsContact C-N 3.32Å; N442-A444 PolarHBondContact O-N 2.75Å; A444-A447 PolarHBondContact O-N 3.08Å; A444-L448 VanDerWaalsContact O-CB 3.28Å; A444-L448 WeakPolarHBondContact O-CB 3.28Å; A444-L448 VanDerWaalsContact O-CG 3.23Å; A444-L448 WeakPolarHBondContact O-CG 3.49Å; A444-L448 PolarHBondContact O-N 3.18Å
445	H	78.4	Confident	74.5	Confident	34 Å²	34	47.7 Å²	47.7	16%	0.157	27%	0.271	C	S	.	.	H	α-helix	trans	-59.4	-52.3	-176.5	-175.1	86.4	0	0	0	112.4	E441 N442 A447 L448 L449	E441-H445 VanDerWaalsContact O-CB 3.23Å; E441-H445 WeakPolarHBondContact O-CB 3.45Å; E441-H445 PolarHBondContact O-N 3.47Å; N442-H445 PolarHBondContact O-N 2.9Å; H445-A447 PolarHBondContact O-N 3.1Å; H445-L448 PolarHBondContact O-N 3.06Å; H445-L449 VanDerWaalsContact CD2-CD1 3.47Å; H445-L449 WeakPolarHBondContact CD2-CD1 3.45Å; H445-L449 WeakPolarHBondContact NE2-CD1 3.2Å; H445-L449 WeakPolarHBondContact O-CG 3.49Å; H445-L449 PolarHBondContact O-N 3.04Å
446	N	82.9	Confident	76	Confident	77 Å²	77	40.4 Å²	40.4	41%	0.412	24%	0.237	S	C	.	.	H	α-helix	trans	-65.9	-39.4	179.9	-75.6	-18.9	0	0	0	112.3	N442 L448 L449 L450	N442-N446 PolarHBondContact O-N 2.79Å; N446-L448 VanDerWaalsContact C-N 3.33Å; N446-L449 PolarHBondContact O-N 3.29Å; N446-L450 WeakPolarHBondContact O-CB 3.32Å; N446-L450 WeakPolarHBondContact O-CG 3.48Å; N446-L450 PolarHBondContact O-N 3.12Å
447	A	84.8	Confident	77.5	Confident	20 Å²	20	39.8 Å²	39.8	17%	0.165	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-42.4	176.7	0	0	0	0	0	111.2	L395 I397 W405 P443 A444 H445 L450 L451	L395-A447 WeakPolarHBondContact CD1-O 3.42Å; I397-A447 HydrophobicContact CD1-CB 3.98Å; I397-A447 HydrophobicContact CG1-CB 4.41Å; W405-A447 HydrophobicContact CZ3-CB 4.06Å; P443-A447 WeakPolarHBondContact O-CB 3.32Å; P443-A447 PolarHBondContact O-N 3.19Å; A444-A447 PolarHBondContact O-N 3.08Å; H445-A447 PolarHBondContact O-N 3.1Å; A447-L450 PolarHBondContact O-N 3.42Å; A447-L451 VanDerWaalsContact O-CB 3.3Å; A447-L451 WeakPolarHBondContact O-CB 3.33Å; A447-L451 PolarHBondContact O-N 2.7Å
448	L	87	Confident	78.8	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-64.9	-46	175	-78.2	171.2	0	0	0	112.5	W405 L408 L410 F436 A444 H445 N446 L450 L451 R452	W405-L448 HydrophobicContact CB-CD2 3.84Å; W405-L448 VanDerWaalsContact O-CD2 3.31Å; W405-L448 WeakPolarHBondContact O-CD2 3.49Å; L408-L448 HydrophobicContact CB-CD1 4.33Å; L410-L448 HydrophobicContact CD2-CB 3.85Å; L410-L448 HydrophobicContact CD2-CD1 4Å; F436-L448 HydrophobicContact CD1-CD1 4.25Å; F436-L448 HydrophobicContact CE1-CD1 3.44Å; F436-L448 VanDerWaalsContact CE1-CD1 3.44Å; F436-L448 HydrophobicContact CZ-CD1 4.29Å; A444-L448 VanDerWaalsContact O-CB 3.28Å; A444-L448 WeakPolarHBondContact O-CB 3.28Å; A444-L448 VanDerWaalsContact O-CG 3.23Å; A444-L448 WeakPolarHBondContact O-CG 3.49Å; A444-L448 PolarHBondContact O-N 3.18Å; H445-L448 PolarHBondContact O-N 3.06Å; N446-L448 VanDerWaalsContact C-N 3.33Å; L448-L450 VanDerWaalsContact C-N 3.33Å; L448-L450 PolarHBondContact O-N 3.49Å; L448-L451 WeakPolarHBondContact O-CB 3.33Å; L448-L451 PolarHBondContact O-N 2.94Å; L448-R452 WeakPolarHBondContact O-CG 3.18Å; L448-R452 PolarHBondContact O-N 2.73Å
449	L	89.1	Confident	80.6	Confident	8 Å²	8	31.5 Å²	31.5	4%	0.042	18%	0.184	C	C	.	.	H	α-helix	trans	-55.8	-48.3	175.5	-75	169.5	0	0	0	111.6	L347 P351 Y355 L410 H445 N446 R452 L453	L347-L449 HydrophobicContact CD2-CB 4.46Å; L347-L449 HydrophobicContact CD2-CD1 4.38Å; P351-L449 HydrophobicContact CB-CD1 3.56Å; P351-L449 HydrophobicContact CB-CD2 4.45Å; Y355-L449 HydrophobicContact CD2-CD2 4.15Å; Y355-L449 HydrophobicContact CG-CD2 3.91Å; L410-L449 HydrophobicContact CD1-CD2 3.47Å; L410-L449 VanDerWaalsContact CD1-CD2 3.47Å; L410-L449 HydrophobicContact CD1-CG 3.99Å; H445-L449 VanDerWaalsContact CD2-CD1 3.47Å; H445-L449 WeakPolarHBondContact CD2-CD1 3.45Å; H445-L449 WeakPolarHBondContact NE2-CD1 3.2Å; H445-L449 WeakPolarHBondContact O-CG 3.49Å; H445-L449 PolarHBondContact O-N 3.04Å; N446-L449 PolarHBondContact O-N 3.29Å; L449-R452 PolarHBondContact O-N 3.3Å; L449-L453 PolarHBondContact O-N 2.88Å
450	L	90.6	Very high	82.3	Confident	7 Å²	7	29.5 Å²	29.5	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-42.9	177.6	-74	177	0	0	0	111.8	L343 L347 R394 L395 N446 A447 L448 R452 L453 M454	L343-L450 HydrophobicContact CD1-CD2 3.72Å; L343-L450 HydrophobicContact CD2-CD2 4.24Å; L347-L450 HydrophobicContact CD1-CD2 4.13Å; R394-L450 HydrophobicContact CB-CD1 3.85Å; L395-L450 HydrophobicContact CD1-CB 3.86Å; N446-L450 WeakPolarHBondContact O-CB 3.32Å; N446-L450 WeakPolarHBondContact O-CG 3.48Å; N446-L450 PolarHBondContact O-N 3.12Å; A447-L450 PolarHBondContact O-N 3.42Å; L448-L450 VanDerWaalsContact C-N 3.33Å; L448-L450 PolarHBondContact O-N 3.49Å; L450-R452 VanDerWaalsContact C-N 3.32Å; L450-R452 PolarHBondContact O-N 3.49Å; L450-L453 WeakPolarHBondContact O-CB 3.14Å; L450-L453 PolarHBondContact O-N 3.43Å; L450-M454 WeakPolarHBondContact O-CG 3.37Å; L450-M454 PolarHBondContact O-N 2.83Å
451	L	89.2	Confident	83.8	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.8	-44.3	176.6	-179	66	0	0	0	111.7	L395 I397 Y402 A447 L448 L453 M454 Q455	L395-L451 HydrophobicContact CD1-CB 4.41Å; L395-L451 HydrophobicContact CD2-CD1 4.41Å; I397-L451 HydrophobicContact CD1-CB 4.33Å; I397-L451 HydrophobicContact CD1-CD2 4.48Å; Y402-L451 HydrophobicContact CD2-CD1 3.58Å; Y402-L451 HydrophobicContact CD2-CD2 3.67Å; Y402-L451 HydrophobicContact CD2-CG 4.15Å; Y402-L451 HydrophobicContact CE2-CD1 3.75Å; Y402-L451 HydrophobicContact CE2-CD2 3.96Å; Y402-L451 HydrophobicContact CE2-CG 4.19Å; A447-L451 VanDerWaalsContact O-CB 3.3Å; A447-L451 WeakPolarHBondContact O-CB 3.33Å; A447-L451 PolarHBondContact O-N 2.7Å; L448-L451 WeakPolarHBondContact O-CB 3.33Å; L448-L451 PolarHBondContact O-N 2.94Å; L451-L453 VanDerWaalsContact C-N 3.28Å; L451-L453 PolarHBondContact O-N 2.94Å; L451-M454 WeakPolarHBondContact O-CB 3.49Å; L451-M454 PolarHBondContact O-N 3.25Å; L451-Q455 WeakPolarHBondContact O-CG 3.17Å; L451-Q455 PolarHBondContact O-N 3.22Å
452	R	89.1	Confident	85	Confident	8 Å²	8	26.1 Å²	26.1	3%	0.03	15%	0.145	C	C	.	.	H	α-helix	trans	-66.2	-34.2	179.5	-62.4	-81.8	-178.7	-96.5	-9.3	111.6	Y355 W405 N406 L408 L448 L449 L450 Q455 F456	Y355-R452 HydrophobicContact CD2-CB 3.9Å; Y355-R452 HydrophobicContact CD2-CG 4.11Å; Y355-R452 HydrophobicContact CE2-CB 3.92Å; Y355-R452 HydrophobicContact CE2-CG 3.69Å; W405-R452 PolarHBondContact O-NH2 3.4Å; W405-R452 VanDerWaalsContact O-NH2 3.15Å; N406-R452 VanDerWaalsContact C-NH2 3.31Å; N406-R452 PolarHBondContact O-NH1 3.22Å; N406-R452 PolarHBondContact O-NH2 2.85Å; N406-R452 PolarHBondContact OD1-NH1 3.37Å; L408-R452 PolarHBondContact O-NH2 3.12Å; L408-R452 VanDerWaalsContact O-NH2 3.07Å; L448-R452 WeakPolarHBondContact O-CG 3.18Å; L448-R452 PolarHBondContact O-N 2.73Å; L449-R452 PolarHBondContact O-N 3.3Å; L450-R452 VanDerWaalsContact C-N 3.32Å; L450-R452 PolarHBondContact O-N 3.49Å; R452-Q455 WeakPolarHBondContact O-CB 3.45Å; R452-Q455 PolarHBondContact O-N 2.77Å; R452-F456 PolarHBondContact O-N 3.36Å
453	L	91	Very high	86.2	Confident	10 Å²	10	20.4 Å²	20.4	5%	0.052	12%	0.115	C	C	.	.	H	α-helix	trans	-69.7	-39	174.3	-168.6	48.7	0	0	0	112.2	L354 L387 L388 L449 L450 L451 Q455 F456 G457	L354-L453 HydrophobicContact CD2-CD2 3.95Å; L387-L453 HydrophobicContact CD1-CD2 4.17Å; L387-L453 HydrophobicContact CD2-CD2 3.1Å; L387-L453 HydrophobicContact CD2-CG 4.03Å; L387-L453 HydrophobicContact CG-CD2 4.27Å; L388-L453 HydrophobicContact CD2-CG 4.09Å; L388-L453 VanDerWaalsContact CD2-O 3.31Å; L388-L453 WeakPolarHBondContact CD2-O 3.15Å; L449-L453 PolarHBondContact O-N 2.88Å; L450-L453 WeakPolarHBondContact O-CB 3.14Å; L450-L453 PolarHBondContact O-N 3.43Å; L451-L453 VanDerWaalsContact C-N 3.28Å; L451-L453 PolarHBondContact O-N 2.94Å; L453-Q455 VanDerWaalsContact C-N 3.3Å; L453-Q455 PolarHBondContact O-N 3.41Å; L453-F456 HydrophobicContact CD1-CD1 4.41Å; L453-F456 WeakPolarHBondContact O-CB 3.32Å; L453-F456 PolarHBondContact O-N 2.92Å; L453-G457 PolarHBondContact O-N 3.49Å
454	M	90.4	Very high	87.3	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.5	-40.7	171.3	-65	-51.5	126.3	0	0	112	L388 L395 L450 L451 F456 G457 A458 Y482 F484	L388-M454 HydrophobicContact CB-CE 4.27Å; L388-M454 HydrophobicContact CB-SD 4.23Å; L388-M454 HydrophobicContact CD2-CE 3.81Å; L388-M454 HydrophobicContact CD2-SD 3.79Å; L388-M454 WeakPolarHBondContact O-CE 3.32Å; L395-M454 HydrophobicContact CD2-CG 3.85Å; L450-M454 WeakPolarHBondContact O-CG 3.37Å; L450-M454 PolarHBondContact O-N 2.83Å; L451-M454 WeakPolarHBondContact O-CB 3.49Å; L451-M454 PolarHBondContact O-N 3.25Å; M454-F456 VanDerWaalsContact C-N 3.33Å; M454-F456 PolarHBondContact O-N 3.45Å; M454-G457 PolarHBondContact O-N 2.92Å; M454-A458 PolarHBondContact O-N 3.24Å; M454-Y482 HydrophobicContact CB-CD1 4.13Å; M454-Y482 HydrophobicContact CB-CE1 3.51Å; M454-Y482 HydrophobicContact CB-CE2 4.37Å; M454-Y482 HydrophobicContact CG-CD1 4.33Å; M454-Y482 HydrophobicContact CG-CE1 4.03Å; M454-Y482 HydrophobicContact CG-CE2 4.15Å; M454-Y482 HydrophobicContact SD-CD1 4.37Å; M454-Y482 HydrophobicContact SD-CG 4.42Å; M454-F484 HydrophobicContact SD-CZ 4.14Å
455	Q	90	Very high	87.6	Confident	31 Å²	31	19.1 Å²	19.1	15%	0.145	11%	0.106	C	C	.	.	H	α-helix	trans	-62.6	-38.9	175.4	-70.5	173.2	-24.7	0	0	112.5	Y402 N406 L451 R452 L453 A458 F459	Y402-Q455 PolarHBondContact OH-NE2 3.42Å; N406-Q455 PolarHBondContact OD1-NE2 3.42Å; L451-Q455 WeakPolarHBondContact O-CG 3.17Å; L451-Q455 PolarHBondContact O-N 3.22Å; R452-Q455 WeakPolarHBondContact O-CB 3.45Å; R452-Q455 PolarHBondContact O-N 2.77Å; L453-Q455 VanDerWaalsContact C-N 3.3Å; L453-Q455 PolarHBondContact O-N 3.41Å; Q455-A458 PolarHBondContact O-N 3.49Å; Q455-F459 WeakPolarHBondContact O-CB 3.27Å; Q455-F459 PolarHBondContact O-N 3.31Å
456	F	92.7	Very high	87.4	Confident	1 Å²	1	20.5 Å²	20.5	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-64	-42.4	172.6	178.9	-112.1	0	0	0	111.8	C358 A361 H362 L369 F380 L384 R452 L453 M454 A458 F459 V460	C358-F456 HydrophobicContact CB-CB 4.01Å; C358-F456 HydrophobicContact CB-CD1 3.94Å; C358-F456 HydrophobicContact CB-CD2 4.04Å; C358-F456 HydrophobicContact CB-CE1 4.42Å; C358-F456 HydrophobicContact CB-CG 3.72Å; C358-F456 VanDerWaalsContact O-CD2 3.29Å; C358-F456 WeakPolarHBondContact O-CD2 3.47Å; A361-F456 HydrophobicContact CB-CE2 3.9Å; A361-F456 HydrophobicContact CB-CZ 4.41Å; H362-F456 HydrophobicContact CB-CD2 4.19Å; L369-F456 HydrophobicContact CD2-CZ 4.35Å; F380-F456 HydrophobicContact CZ-CE1 4.33Å; F380-F456 HydrophobicContact CZ-CZ 4.31Å; L384-F456 HydrophobicContact CD1-CD1 4.1Å; L384-F456 HydrophobicContact CD1-CE1 4.17Å; L384-F456 HydrophobicContact CD2-CE1 4.37Å; R452-F456 PolarHBondContact O-N 3.36Å; L453-F456 HydrophobicContact CD1-CD1 4.41Å; L453-F456 WeakPolarHBondContact O-CB 3.32Å; L453-F456 PolarHBondContact O-N 2.92Å; M454-F456 VanDerWaalsContact C-N 3.33Å; M454-F456 PolarHBondContact O-N 3.45Å; F456-A458 PolarHBondContact O-N 2.95Å; F456-F459 HydrophobicContact CD2-CD1 4.35Å; F456-F459 HydrophobicContact CE2-CD1 4.45Å; F456-F459 WeakPolarHBondContact O-CB 3.09Å; F456-F459 PolarHBondContact O-N 2.85Å; F456-V460 HydrophobicContact CD1-CG2 4.35Å; F456-V460 HydrophobicContact CD2-CG2 4.42Å; F456-V460 HydrophobicContact CE1-CG2 3.99Å; F456-V460 HydrophobicContact CE2-CG2 4.07Å; F456-V460 HydrophobicContact CZ-CG2 3.85Å; F456-V460 VanDerWaalsContact O-CG2 3.25Å; F456-V460 WeakPolarHBondContact O-CG2 3.43Å; F456-V460 PolarHBondContact O-N 3.33Å
457	G	91.5	Very high	86.7	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.7	-43.7	174	0	0	0	0	0	113.1	L453 M454 F459 V460 S461	L453-G457 PolarHBondContact O-N 3.49Å; M454-G457 PolarHBondContact O-N 2.92Å; G457-F459 VanDerWaalsContact C-N 3.35Å; G457-V460 PolarHBondContact O-N 3.4Å; G457-S461 PolarHBondContact O-N 3.07Å
458	A	89.2	Confident	85.9	Confident	28 Å²	28	28.1 Å²	28.1	23%	0.231	15%	0.145	C	C	.	.	H	α-helix	trans	-62.6	-42.3	175.4	0	0	0	0	0	111.4	M454 Q455 F456 V460 S461 E462 L470	M454-A458 PolarHBondContact O-N 3.24Å; Q455-A458 PolarHBondContact O-N 3.49Å; F456-A458 PolarHBondContact O-N 2.95Å; A458-V460 PolarHBondContact O-N 3.12Å; A458-S461 WeakPolarHBondContact O-CB 3.48Å; A458-S461 PolarHBondContact O-N 3.48Å; A458-E462 WeakPolarHBondContact O-CG 3.35Å; A458-E462 PolarHBondContact O-N 3.11Å; A458-L470 HydrophobicContact CB-CD2 3.88Å
459	F	91.4	Very high	85.3	Confident	15 Å²	15	28.5 Å²	28.5	7%	0.066	15%	0.147	C	C	.	.	H	α-helix	trans	-61.3	-41.9	174.5	172	-109.1	0	0	0	112.7	H362 P366 L369 Q455 F456 G457 E462 C463	H362-F459 HydrophobicContact CB-CD1 4.12Å; H362-F459 HydrophobicContact CB-CE1 4.46Å; H362-F459 AromaticContact CD2-CD1 3.69Å; H362-F459 AromaticContact CD2-CD2 3.33Å; H362-F459 WeakPolarHBondContact CD2-CD2 3.36Å; H362-F459 AromaticContact CD2-CE2 3.81Å; H362-F459 AromaticContact CD2-CG 3.26Å; H362-F459 WeakPolarHBondContact CD2-CG 2.99Å; H362-F459 AromaticContact CG-CD1 3.93Å; H362-F459 AromaticContact CG-CG 3.82Å; H362-F459 AromaticContact NE2-CD2 3.52Å; H362-F459 AromaticContact NE2-CG 3.58Å; P366-F459 HydrophobicContact CB-CE1 4.22Å; P366-F459 HydrophobicContact CB-CZ 3.65Å; L369-F459 HydrophobicContact CD1-CD1 4.1Å; L369-F459 HydrophobicContact CD1-CE1 3.61Å; Q455-F459 WeakPolarHBondContact O-CB 3.27Å; Q455-F459 PolarHBondContact O-N 3.31Å; F456-F459 HydrophobicContact CD2-CD1 4.35Å; F456-F459 HydrophobicContact CE2-CD1 4.45Å; F456-F459 WeakPolarHBondContact O-CB 3.09Å; F456-F459 PolarHBondContact O-N 2.85Å; G457-F459 VanDerWaalsContact C-N 3.35Å; F459-E462 PolarHBondContact O-N 3.06Å; F459-C463 WeakPolarHBondContact CE2-SG 3.48Å; F459-C463 WeakPolarHBondContact CZ-SG 3.31Å; F459-C463 WeakPolarHBondContact O-CB 3.39Å; F459-C463 PolarHBondContact O-N 2.94Å; F459-C463 PolarHBondContact O-SG 3.44Å
460	V	90.9	Very high	84.7	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.1	-42.1	175.6	175.1	0	0	0	0	111.2	L369 I375 F380 L381 L384 F456 G457 A458 E462 C463 L464 L469	L369-V460 HydrophobicContact CD1-CG2 3.95Å; I375-V460 HydrophobicContact CG1-CG1 4.32Å; F380-V460 HydrophobicContact CE1-CG1 4.09Å; F380-V460 HydrophobicContact CZ-CG2 4.29Å; L381-V460 HydrophobicContact CD2-CG1 4.1Å; L384-V460 HydrophobicContact CD2-CB 4.26Å; L384-V460 HydrophobicContact CD2-CG1 4.12Å; L384-V460 HydrophobicContact CD2-CG2 4.05Å; F456-V460 HydrophobicContact CD1-CG2 4.35Å; F456-V460 HydrophobicContact CD2-CG2 4.42Å; F456-V460 HydrophobicContact CE1-CG2 3.99Å; F456-V460 HydrophobicContact CE2-CG2 4.07Å; F456-V460 HydrophobicContact CZ-CG2 3.85Å; F456-V460 VanDerWaalsContact O-CG2 3.25Å; F456-V460 WeakPolarHBondContact O-CG2 3.43Å; F456-V460 PolarHBondContact O-N 3.33Å; G457-V460 PolarHBondContact O-N 3.4Å; A458-V460 PolarHBondContact O-N 3.12Å; V460-E462 PolarHBondContact O-N 3.47Å; V460-C463 PolarHBondContact O-N 3.47Å; V460-L464 HydrophobicContact CG1-CD1 4.13Å; V460-L464 PolarHBondContact O-N 3Å; V460-L469 HydrophobicContact CG1-CD2 4.08Å
461	S	88.1	Confident	84.1	Confident	5 Å²	5	31.6 Å²	31.6	4%	0.035	16%	0.163	C	C	.	.	H	α-helix	trans	-57.6	-45.7	173.7	-178.4	0	0	0	0	111.5	G457 A458 L464 C465 D466 L470	G457-S461 PolarHBondContact O-N 3.07Å; A458-S461 WeakPolarHBondContact O-CB 3.48Å; A458-S461 PolarHBondContact O-N 3.48Å; S461-L464 PolarHBondContact O-N 3.37Å; S461-C465 WeakPolarHBondContact O-CA 3.38Å; S461-C465 PolarHBondContact O-N 3.27Å; S461-C465 VanDerWaalsContact O-N 3.14Å; S461-D466 PolarHBondContact O-N 2.97Å; S461-D466 PolarHBondContact OG-O 3.43Å; S461-L470 PolarHBondContact OG-N 3.26Å; S461-L470 PolarHBondContact OG-O 2.92Å; S461-L470 VanDerWaalsContact OG-O 3.12Å
462	E	86.8	Confident	83.7	Confident	85 Å²	85	34.5 Å²	34.5	40%	0.397	18%	0.181	S	C	.	.	H	α-helix	trans	-63.5	-40.3	174.6	-71.8	-169.3	151.4	0	0	112.6	A458 F459 V460 C465 K556	A458-E462 WeakPolarHBondContact O-CG 3.35Å; A458-E462 PolarHBondContact O-N 3.11Å; F459-E462 PolarHBondContact O-N 3.06Å; V460-E462 PolarHBondContact O-N 3.47Å; E462-C465 WeakPolarHBondContact O-CA 3.45Å; E462-C465 PolarHBondContact O-N 3.16Å; E462-K556 IonicContact OE1-NZ 3.86Å; E462-K556 PolarHBondContact OE1-NZ 2.76Å
463	C	84.6	Confident	83.4	Confident	11 Å²	11	38.2 Å²	38.2	7%	0.074	20%	0.198	C	C	.	.	H	α-helix	trans	-71.3	-30	179.5	-71	0	0	0	0	113.3	I375 F459 V460 C465	I375-C463 HydrophobicContact CD1-CB 3.31Å; F459-C463 WeakPolarHBondContact CE2-SG 3.48Å; F459-C463 WeakPolarHBondContact CZ-SG 3.31Å; F459-C463 WeakPolarHBondContact O-CB 3.39Å; F459-C463 PolarHBondContact O-N 2.94Å; F459-C463 PolarHBondContact O-SG 3.44Å; V460-C463 PolarHBondContact O-N 3.47Å; C463-C465 PolarHBondContact O-N 3.07Å
464	L	83.2	Confident	83	Confident	17 Å²	17	42 Å²	42	9%	0.089	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-7.6	168.7	-79	168.6	0	0	0	112.9	I375 R376 L381 V460 S461 D466 L469 F545	I375-L464 HydrophobicContact CB-CD2 4.35Å; I375-L464 HydrophobicContact CD1-CD2 4.08Å; I375-L464 HydrophobicContact CD1-CG 3.77Å; I375-L464 HydrophobicContact CG1-CD1 4.37Å; I375-L464 HydrophobicContact CG1-CD2 3.77Å; I375-L464 HydrophobicContact CG1-CG 3.71Å; I375-L464 HydrophobicContact CG2-CD2 4.01Å; R376-L464 HydrophobicContact CG-CD2 4.27Å; L381-L464 HydrophobicContact CD1-CD1 4.21Å; L381-L464 HydrophobicContact CD2-CD1 3.83Å; V460-L464 HydrophobicContact CG1-CD1 4.13Å; V460-L464 PolarHBondContact O-N 3Å; S461-L464 PolarHBondContact O-N 3.37Å; L464-D466 HydrophobicContact CB-CB 4.11Å; L464-D466 PolarHBondContact O-N 2.9Å; L464-L469 HydrophobicContact CD1-CD2 3.71Å; L464-F545 WeakPolarHBondContact O-CE2 3.25Å; L464-F545 WeakPolarHBondContact O-CZ 3.45Å
465	C	79.6	Confident	82.6	Confident	43 Å²	43	42.9 Å²	42.9	29%	0.291	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	30.8	39.6	-160.2	4.8	0	0	0	0	114.4	S461 E462 C463 F545	S461-C465 WeakPolarHBondContact O-CA 3.38Å; S461-C465 PolarHBondContact O-N 3.27Å; S461-C465 VanDerWaalsContact O-N 3.14Å; E462-C465 WeakPolarHBondContact O-CA 3.45Å; E462-C465 PolarHBondContact O-N 3.16Å; C463-C465 PolarHBondContact O-N 3.07Å; C465-F545 VanDerWaalsContact C-CZ 3.46Å; C465-F545 VanDerWaalsContact CA-CZ 3.5Å; C465-F545 HydrophobicContact CB-CD1 3.79Å; C465-F545 HydrophobicContact CB-CE1 3.09Å; C465-F545 HydrophobicContact CB-CE2 3.97Å; C465-F545 HydrophobicContact CB-CG 4.48Å; C465-F545 HydrophobicContact CB-CZ 3.19Å; C465-F545 VanDerWaalsContact O-CZ 3.25Å; C465-F545 WeakPolarHBondContact O-CZ 3.4Å; C465-F545 WeakPolarHBondContact SG-CD1 3.09Å; C465-F545 WeakPolarHBondContact SG-CE1 3.46Å; C465-F545 VanDerWaalsContact SG-CE2 3.59Å; C465-F545 WeakPolarHBondContact SG-CG 3.31Å; C465-F545 WeakPolarHBondContact SG-CZ 3.32Å
466	D	73.2	Confident	82.1	Confident	64 Å²	64	51.2 Å²	51.2	34%	0.342	27%	0.266	S	S	.	.			trans	-111.2	89.5	173.8	-176.5	8.1	0	0	0	107.4	S461 L464 N468 L469	S461-D466 PolarHBondContact O-N 2.97Å; S461-D466 PolarHBondContact OG-O 3.43Å; L464-D466 HydrophobicContact CB-CB 4.11Å; L464-D466 PolarHBondContact O-N 2.9Å; D466-N468 PolarHBondContact O-N 3.23Å; D466-N468 WeakPolarHBondContact OD1-CB 3.37Å; D466-N468 PolarHBondContact OD1-N 3.35Å; D466-N468 VanDerWaalsContact OD1-N 3.15Å; D466-N468 PolarHBondContact OD1-ND2 3.08Å; D466-L469 PolarHBondContact O-N 3.16Å; D466-L469 VanDerWaalsContact O-N 3.09Å
467	K	68.8	Low	81.6	Confident	172 Å²	172	59.3 Å²	59.3	75%	0.748	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-15.9	179	-62.1	-173.6	-178.6	-179.2	0	112.7	L470	K467-L470 CarbonylContact O-C 3.56Å
468	N	68.6	Low	81.2	Confident	84 Å²	84	65.5 Å²	65.5	45%	0.449	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-21.6	-178.9	-59.9	-53.6	0	0	0	113.7	D466 L470 Q485	D466-N468 PolarHBondContact O-N 3.23Å; D466-N468 WeakPolarHBondContact OD1-CB 3.37Å; D466-N468 PolarHBondContact OD1-N 3.35Å; D466-N468 VanDerWaalsContact OD1-N 3.15Å; D466-N468 PolarHBondContact OD1-ND2 3.08Å; N468-L470 VanDerWaalsContact C-N 3.33Å; N468-L470 PolarHBondContact O-N 3.49Å; N468-Q485 VanDerWaalsContact CB-CD 3.46Å; N468-Q485 HydrophobicContact CB-CG 4.16Å; N468-Q485 VanDerWaalsContact O-CB 3.28Å; N468-Q485 WeakPolarHBondContact O-CB 3.44Å; N468-Q485 VanDerWaalsContact O-CG 3.31Å; N468-Q485 WeakPolarHBondContact O-CG 3.33Å; N468-Q485 PolarHBondContact O-N 3.22Å; N468-Q485 PolarHBondContact OD1-NE2 3.46Å
469	L	73.4	Confident	80.9	Confident	10 Å²	10	68 Å²	68	5%	0.052	34%	0.336	C	S	.	.	S	Bend	trans	-64	-44.1	-179.4	-172.6	74.6	0	0	0	110.8	L381 V385 V460 L464 D466 C487	L381-L469 HydrophobicContact CD2-CD2 4.18Å; V385-L469 HydrophobicContact CG2-CD1 3.59Å; V385-L469 HydrophobicContact CG2-CG 4.16Å; V460-L469 HydrophobicContact CG1-CD2 4.08Å; L464-L469 HydrophobicContact CD1-CD2 3.71Å; D466-L469 PolarHBondContact O-N 3.16Å; D466-L469 VanDerWaalsContact O-N 3.09Å; L469-C487 WeakPolarHBondContact CD1-SG 3.11Å
470	L	76.5	Confident	80.4	Confident	8 Å²	8	68.3 Å²	68.3	4%	0.042	34%	0.338	C	S	.	.			trans	-151.4	120.3	176.5	-173.8	155.8	0	0	0	109.7	L388 A458 S461 K467 N468 V472 Y482 E483 F484	L388-L470 HydrophobicContact CD1-CD1 4.01Å; A458-L470 HydrophobicContact CB-CD2 3.88Å; S461-L470 PolarHBondContact OG-N 3.26Å; S461-L470 PolarHBondContact OG-O 2.92Å; S461-L470 VanDerWaalsContact OG-O 3.12Å; K467-L470 CarbonylContact O-C 3.56Å; N468-L470 VanDerWaalsContact C-N 3.33Å; N468-L470 PolarHBondContact O-N 3.49Å; L470-V472 HydrophobicContact CD2-CG2 3.65Å; L470-Y482 HydrophobicContact CD1-CD1 4.21Å; L470-Y482 HydrophobicContact CD2-CD1 3.77Å; L470-Y482 HydrophobicContact CD2-CE1 4.38Å; L470-Y482 HydrophobicContact CG-CD1 4.23Å; L470-E483 WeakPolarHBondContact CA-O 3.5Å; L470-F484 HydrophobicContact CB-CD1 4.46Å; L470-F484 HydrophobicContact CD1-CD1 4.16Å; L470-F484 HydrophobicContact CD1-CE1 3.55Å; L470-F484 HydrophobicContact CD1-CZ 4.47Å; L470-F484 HydrophobicContact CG-CD1 4.24Å; L470-F484 HydrophobicContact CG-CE1 3.98Å
471	D	78.7	Confident	80	Confident	71 Å²	71	72.9 Å²	72.9	38%	0.38	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	149.3	170.9	-173	32.9	0	0	0	110.1	K473 Y482 E483	D471-K473 WeakPolarHBondContact OD2-CE 3.39Å; D471-Y482 CarbonylContact O-C 3.54Å; D471-Y482 WeakPolarHBondContact O-CA 3.36Å; D471-E483 HydrophobicContact CB-CB 4.42Å; D471-E483 PolarHBondContact N-O 3.19Å; D471-E483 PolarHBondContact O-N 3.37Å
472	V	79.6	Confident	79.7	Confident	62 Å²	62	73.6 Å²	73.6	38%	0.376	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.5	-177.5	-172.7	0	0	0	0	109.6	L470 L480 Y482	L470-V472 HydrophobicContact CD2-CG2 3.65Å; V472-L480 HydrophobicContact CG1-CD2 4.31Å; V472-Y482 HydrophobicContact CB-CE1 4.5Å; V472-Y482 HydrophobicContact CG1-CD1 4.46Å; V472-Y482 HydrophobicContact CG1-CE1 4.17Å; V472-Y482 HydrophobicContact CG2-CD1 3.62Å; V472-Y482 HydrophobicContact CG2-CE1 3.56Å
473	K	84.1	Confident	79.3	Confident	86 Å²	86	74 Å²	74	37%	0.374	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	156.3	177.3	-62.3	-175.1	-171.7	167.4	0	110.9	D471 Q481 E483	D471-K473 WeakPolarHBondContact OD2-CE 3.39Å; K473-Q481 PolarHBondContact N-O 2.78Å; K473-Q481 PolarHBondContact O-N 2.8Å; K473-E483 WeakPolarHBondContact CD-OE1 3.45Å; K473-E483 VanDerWaalsContact CE-CD 3.47Å; K473-E483 WeakPolarHBondContact CE-OE1 3.24Å; K473-E483 WeakPolarHBondContact CE-OE2 3.49Å; K473-E483 IonicContact NZ-OE1 2.81Å; K473-E483 PolarHBondContact NZ-OE1 3.17Å; K473-E483 IonicContact NZ-OE2 3.83Å; K473-E483 PolarHBondContact NZ-OE2 3.33Å
474	V	81	Confident	79	Confident	89 Å²	89	75.1 Å²	75.1	54%	0.539	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	119.5	171.1	-178.6	0	0	0	0	107.4	V399 L480	V399-V474 HydrophobicContact CG2-CG1 3.82Å; V399-V474 HydrophobicContact CG2-CG2 3.98Å; V474-L480 HydrophobicContact CG2-CD2 4.34Å
475	S	82.1	Confident	78.5	Confident	19 Å²	19	79.6 Å²	79.6	13%	0.133	39%	0.387	C	S	.	.			trans	-66	162.5	174.3	63.3	0	0	0	0	111.5	K477 E478 K479	S475-K477 PolarHBondContact O-N 3.27Å; S475-E478 PolarHBondContact O-N 3.25Å; S475-K479 PolarHBondContact N-O 3.4Å; S475-K479 WeakPolarHBondContact OG-CA 3.47Å; S475-K479 WeakPolarHBondContact OG-CB 3.41Å; S475-K479 PolarHBondContact OG-N 3.43Å; S475-K479 PolarHBondContact OG-O 3.11Å
476	E	81.1	Confident	77.5	Confident	206 Å²	206	81.2 Å²	81.2	96%	0.963	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-23.6	174.3	-63.4	179.4	169.8	0	0	113.6	E478	E476-E478 VanDerWaalsContact C-N 3.31Å; E476-E478 PolarHBondContact O-N 2.93Å
477	K	81.8	Confident	76.7	Confident	171 Å²	171	80 Å²	80	74%	0.743	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	18.8	177.4	-61.4	-175.2	179.8	-180	0	113.5	S475 K479	S475-K477 PolarHBondContact O-N 3.27Å; K477-K479 HydrophobicContact CB-CG 4.41Å; K477-K479 PolarHBondContact O-N 3.36Å; K477-K479 VanDerWaalsContact O-N 3.15Å
478	E	83.1	Confident	75.6	Confident	130 Å²	130	76.2 Å²	76.2	61%	0.607	39%	0.387	S	S	*	.	S	Bend	trans	55.8	27.7	-175.7	-57.1	-171.8	159.1	0	0	114.2	S398 V399 S475 E476	S398-E478 CarbonylContact C-O 3.21Å; S398-E478 WeakPolarHBondContact CA-O 3.26Å; V399-E478 WeakPolarHBondContact CG2-O 3.29Å; V399-E478 PolarHBondContact N-O 3Å; S475-E478 PolarHBondContact O-N 3.25Å; E476-E478 VanDerWaalsContact C-N 3.31Å; E476-E478 PolarHBondContact O-N 2.93Å
479	K	82.5	Confident	74.6	Confident	80 Å²	80	76 Å²	76	35%	0.348	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-98.3	142.6	174	-57.4	-174.8	176.9	-173.9	0	111.2	N396 S475 K477 Q481	N396-K479 WeakPolarHBondContact OD1-CD 3.5Å; N396-K479 WeakPolarHBondContact OD1-CE 3.29Å; N396-K479 PolarHBondContact OD1-NZ 2.84Å; S475-K479 PolarHBondContact N-O 3.4Å; S475-K479 WeakPolarHBondContact OG-CA 3.47Å; S475-K479 WeakPolarHBondContact OG-CB 3.41Å; S475-K479 PolarHBondContact OG-N 3.43Å; S475-K479 PolarHBondContact OG-O 3.11Å; K477-K479 HydrophobicContact CB-CG 4.41Å; K477-K479 PolarHBondContact O-N 3.36Å; K477-K479 VanDerWaalsContact O-N 3.15Å; K479-Q481 PolarHBondContact O-N 3Å
480	L	81.4	Confident	72.9	Confident	21 Å²	21	81.9 Å²	81.9	11%	0.11	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	125.9	174.8	-64.8	175.3	0	0	0	110.5	Q392 I397 V399 Y402 V472 V474 Y482	Q392-L480 PolarHBondContact NE2-O 2.97Å; I397-L480 PolarHBondContact O-N 3.2Å; V399-L480 HydrophobicContact CG2-CD2 4.05Å; V399-L480 HydrophobicContact CG2-CG 4.48Å; Y402-L480 HydrophobicContact CD1-CD1 4.45Å; Y402-L480 HydrophobicContact CD2-CD1 3.79Å; Y402-L480 HydrophobicContact CE2-CD1 4.49Å; Y402-L480 HydrophobicContact CG-CD1 3.76Å; V472-L480 HydrophobicContact CG1-CD2 4.31Å; V474-L480 HydrophobicContact CG2-CD2 4.34Å; L480-Y482 HydrophobicContact CB-CE2 3.89Å
481	Q	81.2	Confident	70.6	Confident	96 Å²	96	85.6 Å²	85.6	45%	0.449	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.9	175.4	-74.4	-175.1	-18.9	0	0	109.9	K473 K479	K473-Q481 PolarHBondContact N-O 2.78Å; K473-Q481 PolarHBondContact O-N 2.8Å; K479-Q481 PolarHBondContact O-N 3Å
482	Y	82.1	Confident	68.2	Low	21 Å²	21	88.4 Å²	88.4	8%	0.082	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.6	-179.6	-64	-108.8	0	0	0	108.5	Q392 L395 M454 L470 D471 V472 L480 F484	Q392-Y482 VanDerWaalsContact CD-CD2 3.5Å; L395-Y482 HydrophobicContact CD2-CE2 4.01Å; M454-Y482 HydrophobicContact CB-CD1 4.13Å; M454-Y482 HydrophobicContact CB-CE1 3.51Å; M454-Y482 HydrophobicContact CB-CE2 4.37Å; M454-Y482 HydrophobicContact CG-CD1 4.33Å; M454-Y482 HydrophobicContact CG-CE1 4.03Å; M454-Y482 HydrophobicContact CG-CE2 4.15Å; M454-Y482 HydrophobicContact SD-CD1 4.37Å; M454-Y482 HydrophobicContact SD-CG 4.42Å; L470-Y482 HydrophobicContact CD1-CD1 4.21Å; L470-Y482 HydrophobicContact CD2-CD1 3.77Å; L470-Y482 HydrophobicContact CD2-CE1 4.38Å; L470-Y482 HydrophobicContact CG-CD1 4.23Å; D471-Y482 CarbonylContact O-C 3.54Å; D471-Y482 WeakPolarHBondContact O-CA 3.36Å; V472-Y482 HydrophobicContact CB-CE1 4.5Å; V472-Y482 HydrophobicContact CG1-CD1 4.46Å; V472-Y482 HydrophobicContact CG1-CE1 4.17Å; V472-Y482 HydrophobicContact CG2-CD1 3.62Å; V472-Y482 HydrophobicContact CG2-CE1 3.56Å; L480-Y482 HydrophobicContact CB-CE2 3.89Å; Y482-F484 WeakPolarHBondContact O-CD2 3.24Å; Y482-F484 WeakPolarHBondContact O-CE2 3.48Å
483	E	79.3	Confident	65.6	Low	93 Å²	93	90 Å²	90	44%	0.435	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	136.7	176.3	-71.2	-175.5	-173	0	0	109.6	L470 D471 K473	L470-E483 WeakPolarHBondContact CA-O 3.5Å; D471-E483 HydrophobicContact CB-CB 4.42Å; D471-E483 PolarHBondContact N-O 3.19Å; D471-E483 PolarHBondContact O-N 3.37Å; K473-E483 WeakPolarHBondContact CD-OE1 3.45Å; K473-E483 VanDerWaalsContact CE-CD 3.47Å; K473-E483 WeakPolarHBondContact CE-OE1 3.24Å; K473-E483 WeakPolarHBondContact CE-OE2 3.49Å; K473-E483 IonicContact NZ-OE1 2.81Å; K473-E483 PolarHBondContact NZ-OE1 3.17Å; K473-E483 IonicContact NZ-OE2 3.83Å; K473-E483 PolarHBondContact NZ-OE2 3.33Å
484	F	77.9	Confident	63	Low	35 Å²	35	92.7 Å²	92.7	15%	0.154	49%	0.485	C	S	.	.			trans	-132.1	124.4	-173.5	-53.1	-86.2	0	0	0	109.7	V385 L388 K389 Q392 M454 L470 Y482	V385-F484 HydrophobicContact CG1-CB 4.37Å; L388-F484 HydrophobicContact CB-CD1 4.11Å; L388-F484 HydrophobicContact CB-CE1 3.33Å; L388-F484 HydrophobicContact CB-CZ 3.79Å; L388-F484 HydrophobicContact CD1-CE1 4.27Å; L388-F484 HydrophobicContact CG-CE1 4.36Å; K389-F484 HydrophobicContact CB-CD2 4.44Å; K389-F484 HydrophobicContact CD-CB 4.22Å; K389-F484 HydrophobicContact CG-CB 3.85Å; K389-F484 HydrophobicContact CG-CD1 4.39Å; K389-F484 HydrophobicContact CG-CD2 3.52Å; K389-F484 HydrophobicContact CG-CE2 4.11Å; K389-F484 HydrophobicContact CG-CG 3.68Å; Q392-F484 HydrophobicContact CB-CE2 3.73Å; Q392-F484 HydrophobicContact CB-CZ 4.01Å; Q392-F484 HydrophobicContact CG-CE2 4.04Å; M454-F484 HydrophobicContact SD-CZ 4.14Å; L470-F484 HydrophobicContact CB-CD1 4.46Å; L470-F484 HydrophobicContact CD1-CD1 4.16Å; L470-F484 HydrophobicContact CD1-CE1 3.55Å; L470-F484 HydrophobicContact CD1-CZ 4.47Å; L470-F484 HydrophobicContact CG-CD1 4.24Å; L470-F484 HydrophobicContact CG-CE1 3.98Å; Y482-F484 WeakPolarHBondContact O-CD2 3.24Å; Y482-F484 WeakPolarHBondContact O-CE2 3.48Å
485	Q	71.6	Confident	60.5	Low	111 Å²	111	95.8 Å²	95.8	52%	0.519	50%	0.498	S	S	.	.			trans	-78.4	152.8	166.6	-69.8	-169.3	6.6	0	0	111.7	N468 C487	N468-Q485 VanDerWaalsContact CB-CD 3.46Å; N468-Q485 HydrophobicContact CB-CG 4.16Å; N468-Q485 VanDerWaalsContact O-CB 3.28Å; N468-Q485 WeakPolarHBondContact O-CB 3.44Å; N468-Q485 VanDerWaalsContact O-CG 3.31Å; N468-Q485 WeakPolarHBondContact O-CG 3.33Å; N468-Q485 PolarHBondContact O-N 3.22Å; N468-Q485 PolarHBondContact OD1-NE2 3.46Å; Q485-C487 PolarHBondContact O-N 2.92Å
486	S	59.6	Low	58	Low	76 Å²	76	104.2 Å²	104.2	53%	0.531	53%	0.532	S	S	.	.			trans	-67.6	128.9	165.6	46.8	0	0	0	0	108.7	T488	S486-T488 PolarHBondContact O-N 3.42Å
487	C	56.7	Low	55.4	Low	39 Å²	39	102.9 Å²	102.9	26%	0.264	53%	0.526	S	S	.	.			trans	-66.3	83.4	167	-63	0	0	0	0	109.6	L469 Q485 M489	L469-C487 WeakPolarHBondContact CD1-SG 3.11Å; Q485-C487 PolarHBondContact O-N 2.92Å; C487-M489 PolarHBondContact O-N 2.94Å
488	T	45.9	Very low	52.8	Low	93 Å²	93	100.1 Å²	100.1	57%	0.571	52%	0.523	S	S	*	.			trans	-92.8	78.1	162.5	49.9	0	0	0	0	107.2	S486 D490	S486-T488 PolarHBondContact O-N 3.42Å; T488-D490 PolarHBondContact O-N 3.11Å
489	M	47.2	Very low	50.2	Low	79 Å²	79	98.8 Å²	98.8	39%	0.389	52%	0.524	S	S	.	.			trans	-80.1	18.6	167.6	-73.6	-70.1	-82	0	0	111.8	V378 C487 S491	V378-M489 HydrophobicContact CG2-CB 4.04Å; C487-M489 PolarHBondContact O-N 2.94Å; M489-S491 PolarHBondContact O-N 3.31Å
490	D	36.8	Very low	47.6	Very low	133 Å²	133	102.4 Å²	102.4	71%	0.711	55%	0.546	S	S	*	.			trans	-76.3	9	177.6	-63.4	-28	0	0	0	113.5	T488 M492	T488-D490 PolarHBondContact O-N 3.11Å; D490-M492 PolarHBondContact O-N 3.18Å
491	S	30.1	Very low	45.1	Very low	86 Å²	86	107.5 Å²	107.5	60%	0.601	57%	0.573	S	S	*	*			trans	-85.7	42.1	166.9	61.2	0	0	0	0	112.1	M489 K542	M489-S491 PolarHBondContact O-N 3.31Å; S491-K542 WeakPolarHBondContact O-CE 3.46Å; S491-K542 PolarHBondContact O-NZ 2.98Å
492	M	26.6	Very low	42.5	Very low	130 Å²	130	107.8 Å²	107.8	64%	0.64	59%	0.586	S	S	*	*	S	Bend	trans	-90.4	143.1	150	-69.6	-78.1	-96.6	0	0	105.8	D490 N494 K542	D490-M492 PolarHBondContact O-N 3.18Å; M492-N494 PolarHBondContact O-N 3.13Å; M492-K542 PolarHBondContact SD-NZ 3.36Å; M492-K542 VanDerWaalsContact SD-NZ 3.41Å
493	P	26.6	Very low	40.1	Very low	95 Å²	95	113.9 Å²	113.9	62%	0.617	63%	0.625	S	S	*	*			trans	-59.1	107.6	-175.8	-15.5	29	0	0	0	107.9	D495 E540	P493-D495 PolarHBondContact O-N 2.9Å; P493-E540 WeakPolarHBondContact CG-OE2 3.48Å
494	N	27.7	Very low	37.5	Very low	144 Å²	144	117.6 Å²	117.6	77%	0.77	64%	0.642	S	S	*	*			trans	-56.2	133.2	166.7	-97.2	-22.1	0	0	0	106.4	M492 K496	M492-N494 PolarHBondContact O-N 3.13Å; N494-K496 PolarHBondContact O-N 3.38Å
495	D	29.1	Very low	35.2	Very low	154 Å²	154	123.3 Å²	123.3	82%	0.824	67%	0.67	S	S	*	*			trans	-32	127	167.3	-77.3	-47	0	0	0	109.8	P493 Q497	P493-D495 PolarHBondContact O-N 2.9Å; D495-Q497 PolarHBondContact O-N 3.35Å
496	K	28.8	Very low	33.1	Very low	195 Å²	195	126.4 Å²	126.4	85%	0.848	68%	0.681	S	S	*	*			trans	-45.7	108	170.1	-75.1	-179.7	176.7	179	0	107.4	N494 V498	N494-K496 PolarHBondContact O-N 3.38Å; K496-V498 PolarHBondContact O-N 3.22Å
497	Q	27.7	Very low	31.5	Very low	179 Å²	179	127.5 Å²	127.5	84%	0.836	69%	0.689	S	S	*	*			trans	-51.6	95.2	151.3	-93.2	170.4	-27.9	0	0	105.7	D495 V499	D495-Q497 PolarHBondContact O-N 3.35Å; Q497-V499 HydrophobicContact CB-CG2 4.49Å; Q497-V499 PolarHBondContact O-N 3.21Å
498	V	27.2	Very low	30.1	Very low	113 Å²	113	131.9 Å²	131.9	69%	0.685	72%	0.715	S	S	*	*			trans	-68.4	91.9	154.8	177.4	0	0	0	0	104.3	K496 L500	K496-V498 PolarHBondContact O-N 3.22Å; V498-L500 HydrophobicContact CG1-CD1 4.15Å; V498-L500 PolarHBondContact O-N 3.14Å; V498-L500 VanDerWaalsContact O-N 3.09Å
499	V	28.4	Very low	29.4	Very low	101 Å²	101	132.2 Å²	132.2	61%	0.612	73%	0.727	S	S	*	*			trans	-59.9	104.6	160.1	176.5	0	0	0	0	105.6	Q497 D501	Q497-V499 HydrophobicContact CB-CG2 4.49Å; Q497-V499 PolarHBondContact O-N 3.21Å; V499-D501 PolarHBondContact O-N 3.35Å
500	L	26.8	Very low	28.2	Very low	157 Å²	157	135.8 Å²	135.8	82%	0.822	75%	0.747	S	S	*	*			trans	-93.1	88.3	169.1	-122.1	140.6	0	0	0	106.2	V498 S502	V498-L500 HydrophobicContact CG1-CD1 4.15Å; V498-L500 PolarHBondContact O-N 3.14Å; V498-L500 VanDerWaalsContact O-N 3.09Å; L500-S502 PolarHBondContact O-N 2.82Å
501	D	30.8	Very low	28	Very low	127 Å²	127	135.3 Å²	135.3	68%	0.679	75%	0.751	S	S	*	*			trans	-70.1	114	167.3	-80	-26.4	0	0	0	108.9	V499	V499-D501 PolarHBondContact O-N 3.35Å
502	S	25.7	Very low	27.8	Very low	103 Å²	103	136.8 Å²	136.8	72%	0.72	76%	0.757	S	S	*	*			trans	39.2	101.3	141.9	42.6	0	0	0	0	118.8	L500	L500-S502 PolarHBondContact O-N 2.82Å
503	V	31.1	Very low	27.9	Very low	149 Å²	149	136.3 Å²	136.3	90%	0.903	76%	0.761	S	S	*	*			trans	-147.4	120.2	134.7	-177.4	0	0	0	0	108.8
504	E	24.9	Very low	27.9	Very low	170 Å²	170	140.2 Å²	140.2	79%	0.794	77%	0.768	S	S	*	*			trans	-61.1	141.1	170	-61.2	174.5	133.6	0	0	111.9
505	Q	29.4	Very low	27.9	Very low	155 Å²	155	139.8 Å²	139.8	72%	0.724	77%	0.765	S	S	*	*				155.2	118.6	119.2	-82	-177.9	9.6	0	0	113.3
506	K	28.9	Very low	27.7	Very low	176 Å²	176	138.5 Å²	138.5	77%	0.765	76%	0.757	S	S	*	*			trans	67	114.5	135.9	-67.7	179.2	176.8	174.5	0	121.1
507	S	24.1	Very low	27.5	Very low	100 Å²	100	137.1 Å²	137.1	70%	0.699	75%	0.752	S	S	*	*			trans	50.2	134.3	131.6	66.2	0	0	0	0	118.9
508	T	29.1	Very low	27.9	Very low	131 Å²	131	135.4 Å²	135.4	80%	0.804	74%	0.743	S	S	*	*			cis	177.7	147.4	40.1	0.7	0	0	0	0	109.1
509	A	29.7	Very low	28	Very low	100 Å²	100	136.9 Å²	136.9	83%	0.826	75%	0.747	S	S	*	*			trans	60.9	123	146.1	0	0	0	0	0	123.4
510	L	23.5	Very low	28.1	Very low	153 Å²	153	136 Å²	136	80%	0.801	75%	0.75	S	S	*	*			trans	-55.6	164.5	158.7	-105.9	94.8	0	0	0	113.3
511	P	31.9	Very low	28.2	Very low	124 Å²	124	135.8 Å²	135.8	81%	0.805	75%	0.745	S	S	*	*				-158.2	178.2	64.9	40.3	-16	0	0	0	120
512	T	25.8	Very low	28.2	Very low	117 Å²	117	137.2 Å²	137.2	72%	0.718	75%	0.745	S	S	*	*			trans	-61.5	159.6	-180	-32.4	0	0	0	0	116.6
513	V	28.7	Very low	28.5	Very low	119 Å²	119	139 Å²	139	72%	0.721	75%	0.747	S	S	*	*			trans	144.4	109.4	131	173.2	0	0	0	0	115.9
514	K	27.5	Very low	28.6	Very low	178 Å²	178	139.7 Å²	139.7	77%	0.774	74%	0.74	S	S	*	*				53.6	128.6	127.7	-61.4	-177	174.3	177.1	0	125.6
515	L	26.2	Very low	28.6	Very low	135 Å²	135	136.5 Å²	136.5	71%	0.707	74%	0.736	S	S	*	*				85.9	128.4	121.8	-95	85.6	0	0	0	124.6
516	L	25.2	Very low	28.5	Very low	126 Å²	126	135.8 Å²	135.8	66%	0.66	74%	0.743	S	S	*	*			trans	95.9	118.5	130.1	-68.6	166.1	0	0	0	124.3
517	K	26.1	Very low	28.5	Very low	167 Å²	167	136.6 Å²	136.6	73%	0.726	75%	0.75	S	S	*	*				82.9	149.8	120.3	-82.6	-178.6	178.1	-177.3	0	125.2
518	H	34.1	Very low	28.7	Very low	142 Å²	142	139 Å²	139	66%	0.657	75%	0.747	S	S	*	*			trans	90.3	111.4	158	-76.3	-72.5	0	0	0	117.4
519	D	30.1	Very low	28.6	Very low	145 Å²	145	137.5 Å²	137.5	78%	0.775	75%	0.748	S	S	*	*				100.1	150.7	84	-83.2	6.5	0	0	0	109.3
520	A	29.9	Very low	28.5	Very low	82 Å²	82	139.6 Å²	139.6	68%	0.678	75%	0.745	S	S	*	*			cis	-170.7	158.3	-11.6	0	0	0	0	0	107.8
521	E	29.1	Very low	28.6	Very low	153 Å²	153	139.5 Å²	139.5	72%	0.715	74%	0.738	S	S	*	*			trans	73.8	121.3	149.4	-71.5	-170.4	-171.1	0	0	125.2
522	K	30.8	Very low	28.6	Very low	156 Å²	156	138.5 Å²	138.5	68%	0.678	73%	0.732	S	S	*	*			trans	69.7	108.9	135.2	-68.3	173.5	-176.5	142.3	0	119.9
523	N	32.3	Very low	28.7	Very low	140 Å²	140	142.3 Å²	142.3	75%	0.749	74%	0.738	S	S	*	*				172.8	139.7	109.4	-87.3	-26.4	0	0	0	113.9
524	H	32.5	Very low	28.5	Very low	164 Å²	164	145.5 Å²	145.5	76%	0.759	74%	0.742	S	S	*	*			trans	62.8	97.6	155.8	-64.4	-60.3	0	0	0	121.5	T526	H524-T526 PolarHBondContact O-N 3.21Å
525	S	26.8	Very low	28.3	Very low	103 Å²	103	143.6 Å²	143.6	72%	0.72	74%	0.741	S	S	*	*	S	Bend	trans	20.3	89	131.5	58.5	0	0	0	0	118.9
526	T	26.2	Very low	28.3	Very low	141 Å²	141	144.8 Å²	144.8	87%	0.865	75%	0.747	S	S	*	*			trans	163.2	85.9	134.7	30.7	0	0	0	0	109.2	H524	H524-T526 PolarHBondContact O-N 3.21Å
527	Q	28.2	Very low	28.2	Very low	193 Å²	193	147.8 Å²	147.8	90%	0.902	76%	0.755	S	S	*	*			trans	-113.4	121.2	167.1	-77.2	-178.5	-11.3	0	0	106.5
528	K	29	Very low	28.2	Very low	150 Å²	150	146.5 Å²	146.5	65%	0.652	76%	0.755	S	S	*	*			cis	49.8	84.4	41.3	-97.4	-178.4	-178.9	175.3	0	111.9	F531	K528-F531 HydrophobicContact CD-CD2 4.49Å; K528-F531 HydrophobicContact CD-CE2 3.75Å; K528-F531 HydrophobicContact CG-CE2 4.43Å
529	A	27.1	Very low	27.8	Very low	99 Å²	99	148.8 Å²	148.8	82%	0.818	76%	0.763	S	S	*	*			trans	-89.7	94.4	133.9	0	0	0	0	0	105.6
530	L	28.4	Very low	27.7	Very low	144 Å²	144	149 Å²	149	75%	0.754	76%	0.76	S	S	*	*				61.5	87.9	98.5	-86.9	115.4	0	0	0	110.8
531	F	25.4	Very low	27.4	Very low	151 Å²	151	148.7 Å²	148.7	66%	0.662	77%	0.765	S	S	*	*				59.8	148.3	75.2	-75.2	-58.7	0	0	0	114.3	K528	K528-F531 HydrophobicContact CD-CD2 4.49Å; K528-F531 HydrophobicContact CD-CE2 3.75Å; K528-F531 HydrophobicContact CG-CE2 4.43Å
532	P	31.1	Very low	27.4	Very low	104 Å²	104	146.3 Å²	146.3	68%	0.675	75%	0.752	S	S	*	*				-136.7	-174.8	-78.3	33.4	-10.4	0	0	0	109.3
533	K	28.1	Very low	27.2	Very low	197 Å²	197	143.6 Å²	143.6	86%	0.857	76%	0.758	S	S	*	*			trans	158.7	100.4	146.7	-89.3	161.5	-176.2	-175.4	0	107.1
534	K	24.6	Very low	26.9	Very low	186 Å²	186	145.5 Å²	145.5	81%	0.809	76%	0.76	S	S	*	*				43.6	117.4	88.5	-88.8	-173	175.7	-179.5	0	112.7
535	N	23.3	Very low	27	Very low	138 Å²	138	140.6 Å²	140.6	74%	0.738	74%	0.737	S	S	*	*			trans	76.9	111.8	153.7	-48	-21.2	0	0	0	115.1
536	L	25.6	Very low	27.5	Very low	159 Å²	159	137.9 Å²	137.9	83%	0.832	72%	0.718	S	S	*	*				-173.1	132.1	90.7	-113.8	101.9	0	0	0	110.5
537	F	22.9	Very low	28	Very low	189 Å²	189	132.8 Å²	132.8	83%	0.829	69%	0.69	S	S	*	*			trans	-47.7	143.2	159.8	-79.2	-106.4	0	0	0	112.2
538	L	26.4	Very low	28.6	Very low	141 Å²	141	127 Å²	127	74%	0.738	67%	0.671	S	S	*	*			trans	-170.9	95.6	134.7	-112.4	118	0	0	0	106.1
539	K	25.5	Very low	29.2	Very low	189 Å²	189	123.5 Å²	123.5	82%	0.822	66%	0.66	S	S	*	*				31.1	106.4	97.8	-94.2	-170	177.2	-178	0	112.6
540	E	28.4	Very low	29.6	Very low	150 Å²	150	120.7 Å²	120.7	70%	0.701	63%	0.63	S	S	*	*			trans	164.8	111.4	149.1	-90.9	156.1	-155.5	0	0	106.2	P493	P493-E540 WeakPolarHBondContact CG-OE2 3.48Å
541	G	23.8	Very low	30.3	Very low	76 Å²	76	117.9 Å²	117.9	78%	0.784	61%	0.613	S	S	*	*			cis	107.1	63.5	36.1	0	0	0	0	0	109.7
542	K	29.2	Very low	31.3	Very low	103 Å²	103	113.5 Å²	113.5	45%	0.448	60%	0.604	S	S	.	*			trans	-138.1	120.5	162.5	-72.5	-168.6	177.3	177.3	0	109.8	S491 M492 F544	S491-K542 WeakPolarHBondContact O-CE 3.46Å; S491-K542 PolarHBondContact O-NZ 2.98Å; M492-K542 PolarHBondContact SD-NZ 3.36Å; M492-K542 VanDerWaalsContact SD-NZ 3.41Å; K542-F544 PolarHBondContact O-N 3.48Å
543	A	26.3	Very low	31.7	Very low	98 Å²	98	109.8 Å²	109.8	81%	0.81	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-56.6	122.1	-172.6	0	0	0	0	0	111.4
544	F	26	Very low	32.4	Very low	180 Å²	180	101.3 Å²	101.3	79%	0.789	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-74.6	138.7	169.5	-76.5	-96	0	0	0	108.7	K542 S546	K542-F544 PolarHBondContact O-N 3.48Å; F544-S546 PolarHBondContact O-N 3.25Å
545	F	35.4	Very low	33.6	Very low	61 Å²	61	94.4 Å²	94.4	27%	0.268	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-61	127	152.7	-77.2	-65.7	0	0	0	107.5	L464 C465 D549	L464-F545 WeakPolarHBondContact O-CE2 3.25Å; L464-F545 WeakPolarHBondContact O-CZ 3.45Å; C465-F545 VanDerWaalsContact C-CZ 3.46Å; C465-F545 VanDerWaalsContact CA-CZ 3.5Å; C465-F545 HydrophobicContact CB-CD1 3.79Å; C465-F545 HydrophobicContact CB-CE1 3.09Å; C465-F545 HydrophobicContact CB-CE2 3.97Å; C465-F545 HydrophobicContact CB-CG 4.48Å; C465-F545 HydrophobicContact CB-CZ 3.19Å; C465-F545 VanDerWaalsContact O-CZ 3.25Å; C465-F545 WeakPolarHBondContact O-CZ 3.4Å; C465-F545 WeakPolarHBondContact SG-CD1 3.09Å; C465-F545 WeakPolarHBondContact SG-CE1 3.46Å; C465-F545 VanDerWaalsContact SG-CE2 3.59Å; C465-F545 WeakPolarHBondContact SG-CG 3.31Å; C465-F545 WeakPolarHBondContact SG-CZ 3.32Å; F545-D549 HydrophobicContact CB-CB 4.24Å; F545-D549 HydrophobicContact CD1-CB 3.65Å; F545-D549 HydrophobicContact CG-CB 4.35Å
546	S	36.5	Very low	34.6	Very low	47 Å²	47	93 Å²	93	33%	0.329	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-57.4	145.7	165.3	68.7	0	0	0	0	107.6	F544 S548 D549 M550	F544-S546 PolarHBondContact O-N 3.25Å; S546-S548 VanDerWaalsContact CB-OG 3.31Å; S546-S548 WeakPolarHBondContact CB-OG 3.48Å; S546-S548 PolarHBondContact O-N 3.14Å; S546-S548 PolarHBondContact OG-OG 2.85Å; S546-D549 PolarHBondContact N-OD2 2.91Å; S546-D549 PolarHBondContact O-N 3.01Å; S546-D549 PolarHBondContact OG-N 2.88Å; S546-D549 PolarHBondContact OG-OD2 2.89Å; S546-M550 PolarHBondContact O-N 3.11Å
547	A	37.3	Very low	35.1	Very low	33 Å²	33	87.1 Å²	87.1	27%	0.273	48%	0.478	S	S	.	.	H	α-helix	trans	-51.9	-30.1	175.3	0	0	0	0	0	111.4	E551	A547-E551 WeakPolarHBondContact O-CB 3.2Å; A547-E551 PolarHBondContact O-N 3.18Å
548	S	40.7	Very low	35.9	Very low	73 Å²	73	79.3 Å²	79.3	51%	0.51	45%	0.446	S	S	.	.	H	α-helix	trans	-63.4	-34.6	173.3	36.3	0	0	0	0	114.8	S546 A552	S546-S548 VanDerWaalsContact CB-OG 3.31Å; S546-S548 WeakPolarHBondContact CB-OG 3.48Å; S546-S548 PolarHBondContact O-N 3.14Å; S546-S548 PolarHBondContact OG-OG 2.85Å; S548-A552 VanDerWaalsContact O-CB 3.26Å; S548-A552 WeakPolarHBondContact O-CB 3.09Å; S548-A552 PolarHBondContact O-N 3.36Å
549	D	40.5	Very low	36.5	Very low	76 Å²	76	80.9 Å²	80.9	41%	0.406	44%	0.443	S	S	.	.	H	α-helix	trans	-73.4	-39.1	-179.9	-61.7	-44.8	0	0	0	111.3	F545 S546 A552 S553	F545-D549 HydrophobicContact CB-CB 4.24Å; F545-D549 HydrophobicContact CD1-CB 3.65Å; F545-D549 HydrophobicContact CG-CB 4.35Å; S546-D549 PolarHBondContact N-OD2 2.91Å; S546-D549 PolarHBondContact O-N 3.01Å; S546-D549 PolarHBondContact OG-N 2.88Å; S546-D549 PolarHBondContact OG-OD2 2.89Å; D549-A552 PolarHBondContact O-N 3.19Å; D549-S553 PolarHBondContact O-N 2.95Å
550	M	36.7	Very low	36.8	Very low	39 Å²	39	76.6 Å²	76.6	19%	0.192	43%	0.428	C	S	.	.	H	α-helix	trans	-71.7	-39.8	175	-161	172.1	-68.3	0	0	110.9	S546 A552 S553 L554 L602	S546-M550 PolarHBondContact O-N 3.11Å; M550-A552 VanDerWaalsContact C-N 3.3Å; M550-A552 PolarHBondContact O-N 3.07Å; M550-S553 PolarHBondContact O-N 3.43Å; M550-L554 HydrophobicContact CG-CD1 4.09Å; M550-L554 HydrophobicContact CG-CG 4.45Å; M550-L554 VanDerWaalsContact O-CB 3.31Å; M550-L554 WeakPolarHBondContact O-CB 3.2Å; M550-L554 WeakPolarHBondContact O-CG 3.43Å; M550-L554 PolarHBondContact O-N 2.99Å; M550-L602 HydrophobicContact CB-CD1 4.2Å; M550-L602 HydrophobicContact CE-CD2 4.22Å; M550-L602 HydrophobicContact CG-CD1 4.13Å; M550-L602 HydrophobicContact SD-CD1 3.81Å; M550-L602 HydrophobicContact SD-CD2 3.41Å; M550-L602 WeakPolarHBondContact SD-CD2 3.3Å; M550-L602 HydrophobicContact SD-CG 4.03Å
551	E	42.2	Very low	37.2	Very low	85 Å²	85	72.2 Å²	72.2	40%	0.397	41%	0.407	S	S	.	.	H	α-helix	trans	-59.3	-40.3	170.7	-173.5	172.9	-166.5	0	0	111.2	A547 T555 L599	A547-E551 WeakPolarHBondContact O-CB 3.2Å; A547-E551 PolarHBondContact O-N 3.18Å; E551-T555 WeakPolarHBondContact O-CA 2.99Å; E551-T555 WeakPolarHBondContact O-CB 3.49Å; E551-T555 PolarHBondContact O-N 3.12Å; E551-T555 PolarHBondContact O-OG1 3.13Å; E551-L599 HydrophobicContact CB-CD2 4.29Å; E551-L599 HydrophobicContact CG-CD2 4.1Å
552	A	46.9	Very low	37.7	Very low	59 Å²	59	73.7 Å²	73.7	49%	0.488	40%	0.396	S	S	.	.	H	α-helix	trans	-65.3	-43.1	176.2	0	0	0	0	0	112.5	S548 D549 M550 T555 K556	S548-A552 VanDerWaalsContact O-CB 3.26Å; S548-A552 WeakPolarHBondContact O-CB 3.09Å; S548-A552 PolarHBondContact O-N 3.36Å; D549-A552 PolarHBondContact O-N 3.19Å; M550-A552 VanDerWaalsContact C-N 3.3Å; M550-A552 PolarHBondContact O-N 3.07Å; A552-T555 PolarHBondContact O-N 2.97Å; A552-K556 WeakPolarHBondContact O-CB 3.26Å; A552-K556 PolarHBondContact O-N 3.3Å
553	S	39.9	Very low	37.9	Very low	26 Å²	26	71.6 Å²	71.6	18%	0.182	40%	0.398	C	S	.	.	H	α-helix	trans	-65.9	-43.7	177.4	-168.1	0	0	0	0	111.8	D549 M550 K556 S557	D549-S553 PolarHBondContact O-N 2.95Å; M550-S553 PolarHBondContact O-N 3.43Å; S553-K556 WeakPolarHBondContact O-CB 3.25Å; S553-K556 PolarHBondContact O-N 2.96Å; S553-S557 PolarHBondContact O-N 3.36Å
554	L	41.9	Very low	38.3	Very low	19 Å²	19	68.7 Å²	68.7	10%	0.099	37%	0.369	C	S	.	.	H	α-helix	trans	-68.5	-36.8	175.6	-68.7	173.3	0	0	0	112.4	M550 K556 S557 C558 L598	M550-L554 HydrophobicContact CG-CD1 4.09Å; M550-L554 HydrophobicContact CG-CG 4.45Å; M550-L554 VanDerWaalsContact O-CB 3.31Å; M550-L554 WeakPolarHBondContact O-CB 3.2Å; M550-L554 WeakPolarHBondContact O-CG 3.43Å; M550-L554 PolarHBondContact O-N 2.99Å; L554-K556 VanDerWaalsContact C-N 3.32Å; L554-S557 PolarHBondContact O-N 3.24Å; L554-C558 VanDerWaalsContact O-CB 3.32Å; L554-C558 WeakPolarHBondContact O-CB 3.23Å; L554-C558 PolarHBondContact O-N 3.46Å; L554-C558 PolarHBondContact O-SG 3.42Å; L554-L598 HydrophobicContact CD1-CB 3.66Å; L554-L598 HydrophobicContact CD1-CD1 3.84Å; L554-L598 HydrophobicContact CD1-CD2 4.23Å; L554-L598 HydrophobicContact CD1-CG 4.13Å; L554-L598 HydrophobicContact CD2-CD1 3.56Å; L554-L598 HydrophobicContact CD2-CD2 4.44Å; L554-L598 HydrophobicContact CG-CD1 4.2Å
555	T	49.3	Very low	38.7	Very low	42 Å²	42	61.7 Å²	61.7	26%	0.258	35%	0.347	S	S	.	.	H	α-helix	trans	-66.6	-35.9	172.8	-60.1	0	0	0	0	110.5	E551 A552 C558 R559	E551-T555 WeakPolarHBondContact O-CA 2.99Å; E551-T555 WeakPolarHBondContact O-CB 3.49Å; E551-T555 PolarHBondContact O-N 3.12Å; E551-T555 PolarHBondContact O-OG1 3.13Å; A552-T555 PolarHBondContact O-N 2.97Å; T555-C558 PolarHBondContact O-N 3.06Å; T555-R559 HydrophobicContact CG2-CG 4.25Å; T555-R559 WeakPolarHBondContact O-CB 3.47Å; T555-R559 WeakPolarHBondContact O-CG 3.04Å; T555-R559 PolarHBondContact O-N 3.27Å
556	K	45.9	Very low	38.8	Very low	109 Å²	109	65.4 Å²	65.4	47%	0.474	36%	0.363	S	S	.	.	H	α-helix	trans	-65.5	-44.1	173.4	-167.8	-175.4	176.8	-162.6	0	111	E462 A552 S553 L554 R559 L560	E462-K556 IonicContact OE1-NZ 3.86Å; E462-K556 PolarHBondContact OE1-NZ 2.76Å; A552-K556 WeakPolarHBondContact O-CB 3.26Å; A552-K556 PolarHBondContact O-N 3.3Å; S553-K556 WeakPolarHBondContact O-CB 3.25Å; S553-K556 PolarHBondContact O-N 2.96Å; L554-K556 VanDerWaalsContact C-N 3.32Å; K556-R559 PolarHBondContact O-N 3.17Å; K556-L560 WeakPolarHBondContact O-CB 2.98Å; K556-L560 PolarHBondContact O-N 3.45Å
557	S	36.4	Very low	38.6	Very low	34 Å²	34	69.1 Å²	69.1	24%	0.238	37%	0.374	C	S	.	.	H	α-helix	trans	-63.5	-42.1	173.9	-177	0	0	0	0	112.5	S553 L554 L560 K561	S553-S557 PolarHBondContact O-N 3.36Å; L554-S557 PolarHBondContact O-N 3.24Å; S557-L560 WeakPolarHBondContact O-CB 3.44Å; S557-L560 PolarHBondContact O-N 3.3Å; S557-K561 PolarHBondContact O-N 2.93Å
558	C	39.5	Very low	38.5	Very low	25 Å²	25	70.6 Å²	70.6	17%	0.169	38%	0.377	C	S	.	.	H	α-helix	trans	-70.7	-35.1	175.7	-68.6	0	0	0	0	112.5	L554 T555 L560 K561 L562 V595	L554-C558 VanDerWaalsContact O-CB 3.32Å; L554-C558 WeakPolarHBondContact O-CB 3.23Å; L554-C558 PolarHBondContact O-N 3.46Å; L554-C558 PolarHBondContact O-SG 3.42Å; T555-C558 PolarHBondContact O-N 3.06Å; C558-L560 VanDerWaalsContact C-N 3.32Å; C558-K561 CarbonylContact O-C 3.58Å; C558-K561 WeakPolarHBondContact O-CB 3.49Å; C558-K561 PolarHBondContact O-N 3.06Å; C558-L562 WeakPolarHBondContact O-CB 3.43Å; C558-L562 WeakPolarHBondContact O-CG 3.33Å; C558-L562 PolarHBondContact O-N 3.05Å; C558-V595 HydrophobicContact CB-CG2 4.16Å; C558-V595 WeakPolarHBondContact SG-CG2 3.28Å
559	R	37.4	Very low	38.1	Very low	175 Å²	175	73.2 Å²	73.2	66%	0.66	38%	0.381	S	S	*	.	H	α-helix	trans	-65.9	-35.8	170.7	-79.4	176.6	-177	-179.8	3.9	111	T555 K556 L562 A563	T555-R559 HydrophobicContact CG2-CG 4.25Å; T555-R559 WeakPolarHBondContact O-CB 3.47Å; T555-R559 WeakPolarHBondContact O-CG 3.04Å; T555-R559 PolarHBondContact O-N 3.27Å; K556-R559 PolarHBondContact O-N 3.17Å; R559-L562 PolarHBondContact O-N 3.42Å; R559-A563 WeakPolarHBondContact O-CA 3.33Å; R559-A563 WeakPolarHBondContact O-CB 3.37Å; R559-A563 PolarHBondContact O-N 2.76Å
560	L	33.1	Very low	37.7	Very low	99 Å²	99	74.4 Å²	74.4	52%	0.518	39%	0.387	S	S	.	.	H	α-helix	trans	-63.7	-46.3	169.3	-89	156.6	0	0	0	110.9	K556 S557 C558 L562 A563 L564	K556-L560 WeakPolarHBondContact O-CB 2.98Å; K556-L560 PolarHBondContact O-N 3.45Å; S557-L560 WeakPolarHBondContact O-CB 3.44Å; S557-L560 PolarHBondContact O-N 3.3Å; C558-L560 VanDerWaalsContact C-N 3.32Å; L560-L562 PolarHBondContact O-N 2.9Å; L560-A563 PolarHBondContact O-N 2.86Å; L560-L564 WeakPolarHBondContact O-CB 3.48Å; L560-L564 WeakPolarHBondContact O-CD1 3.35Å; L560-L564 WeakPolarHBondContact O-CG 3.48Å; L560-L564 PolarHBondContact O-N 3.47Å
561	K	35.5	Very low	37.4	Very low	57 Å²	57	76.2 Å²	76.2	25%	0.248	40%	0.397	C	S	.	.	H	α-helix	trans	-58.8	-42	172.6	-83.2	-170.1	175.3	-170.1	0	112.8	F363 S557 C558 G565 E594	F363-K561 WeakPolarHBondContact O-CE 3.31Å; S557-K561 PolarHBondContact O-N 2.93Å; C558-K561 CarbonylContact O-C 3.58Å; C558-K561 WeakPolarHBondContact O-CB 3.49Å; C558-K561 PolarHBondContact O-N 3.06Å; K561-G565 PolarHBondContact O-N 3.18Å; K561-E594 VanDerWaalsContact NZ-CD 3.29Å; K561-E594 IonicContact NZ-OE1 3.88Å; K561-E594 PolarHBondContact NZ-OE1 2.91Å; K561-E594 IonicContact NZ-OE2 3.05Å; K561-E594 PolarHBondContact NZ-OE2 2.74Å
562	L	35.9	Very low	36.9	Very low	108 Å²	108	76.3 Å²	76.3	57%	0.565	40%	0.404	S	S	*	.	H	α-helix	trans	-72.1	-37.6	177.5	-80.2	164.2	0	0	0	112.2	C558 R559 L560 G565 K566	C558-L562 WeakPolarHBondContact O-CB 3.43Å; C558-L562 WeakPolarHBondContact O-CG 3.33Å; C558-L562 PolarHBondContact O-N 3.05Å; R559-L562 PolarHBondContact O-N 3.42Å; L560-L562 PolarHBondContact O-N 2.9Å; L562-G565 PolarHBondContact O-N 3.11Å; L562-K566 WeakPolarHBondContact O-CB 3.34Å; L562-K566 WeakPolarHBondContact O-CG 3.44Å; L562-K566 PolarHBondContact O-N 3.48Å
563	A	33.4	Very low	36.1	Very low	59 Å²	59	79.3 Å²	79.3	49%	0.488	41%	0.408	S	S	.	.	H	α-helix	trans	-68	-39.7	175	0	0	0	0	0	110.8	R559 L560 K566 K567	R559-A563 WeakPolarHBondContact O-CA 3.33Å; R559-A563 WeakPolarHBondContact O-CB 3.37Å; R559-A563 PolarHBondContact O-N 2.76Å; L560-A563 PolarHBondContact O-N 2.86Å; A563-K566 PolarHBondContact O-N 2.96Å; A563-K567 VanDerWaalsContact O-CB 3.29Å; A563-K567 WeakPolarHBondContact O-CB 3.31Å; A563-K567 PolarHBondContact O-N 3.03Å
564	L	34.1	Very low	35.7	Very low	37 Å²	37	86.6 Å²	86.6	19%	0.194	44%	0.436	C	S	.	.	H	α-helix	trans	-68.5	-37.9	172.3	-70.9	166.8	0	0	0	111.3	L560 K567 N568	L560-L564 WeakPolarHBondContact O-CB 3.48Å; L560-L564 WeakPolarHBondContact O-CD1 3.35Å; L560-L564 WeakPolarHBondContact O-CG 3.48Å; L560-L564 PolarHBondContact O-N 3.47Å; L564-K567 CarbonylContact O-C 3.56Å; L564-K567 PolarHBondContact O-N 2.85Å; L564-N568 WeakPolarHBondContact O-CB 3.24Å; L564-N568 VanDerWaalsContact O-CG 3.26Å; L564-N568 PolarHBondContact O-N 3.27Å; L564-N568 PolarHBondContact O-ND2 2.95Å
565	G	34.9	Very low	35.2	Very low	33 Å²	33	91.2 Å²	91.2	34%	0.34	46%	0.459	S	S	.	.	H	α-helix	trans	-64.4	-39.6	172.4	0	0	0	0	0	113.1	K561 L562 N568 Q569	K561-G565 PolarHBondContact O-N 3.18Å; L562-G565 PolarHBondContact O-N 3.11Å; G565-N568 WeakPolarHBondContact O-CB 3.2Å; G565-N568 PolarHBondContact O-N 2.96Å; G565-Q569 PolarHBondContact O-N 2.86Å
566	K	36.1	Very low	34.2	Very low	138 Å²	138	96.3 Å²	96.3	60%	0.6	48%	0.479	S	S	*	.	H	α-helix	trans	-71.5	-35.8	172.6	-76.3	-177.2	178.1	-174.1	0	112.4	L562 A563 N568 Q569 L570	L562-K566 WeakPolarHBondContact O-CB 3.34Å; L562-K566 WeakPolarHBondContact O-CG 3.44Å; L562-K566 PolarHBondContact O-N 3.48Å; A563-K566 PolarHBondContact O-N 2.96Å; K566-N568 VanDerWaalsContact C-N 3.28Å; K566-Q569 PolarHBondContact O-N 3.39Å; K566-L570 PolarHBondContact O-N 3.25Å
567	K	33.8	Very low	33.5	Very low	126 Å²	126	98 Å²	98	55%	0.548	49%	0.494	S	S	.	.	H	α-helix	trans	-67.5	-32.8	171.8	-158.5	177.9	-178.3	-173.2	0	110.8	A563 L564 L570 N571	A563-K567 VanDerWaalsContact O-CB 3.29Å; A563-K567 WeakPolarHBondContact O-CB 3.31Å; A563-K567 PolarHBondContact O-N 3.03Å; L564-K567 CarbonylContact O-C 3.56Å; L564-K567 PolarHBondContact O-N 2.85Å; K567-L570 PolarHBondContact O-N 2.77Å; K567-N571 WeakPolarHBondContact O-CA 3.36Å; K567-N571 WeakPolarHBondContact O-CB 3.46Å; K567-N571 VanDerWaalsContact O-CG 3.27Å; K567-N571 PolarHBondContact O-N 3.43Å
568	N	34.4	Very low	33.3	Very low	64 Å²	64	99 Å²	99	34%	0.342	51%	0.509	S	S	.	.	H	α-helix	trans	-69.6	-36.5	169.8	-76.7	-19.4	0	0	0	111.8	L564 G565 K566 N571 T572	L564-N568 WeakPolarHBondContact O-CB 3.24Å; L564-N568 VanDerWaalsContact O-CG 3.26Å; L564-N568 PolarHBondContact O-N 3.27Å; L564-N568 PolarHBondContact O-ND2 2.95Å; G565-N568 WeakPolarHBondContact O-CB 3.2Å; G565-N568 PolarHBondContact O-N 2.96Å; K566-N568 VanDerWaalsContact C-N 3.28Å; N568-N571 PolarHBondContact O-N 3.44Å; N568-T572 WeakPolarHBondContact O-CA 3.32Å; N568-T572 WeakPolarHBondContact O-CB 3.27Å; N568-T572 WeakPolarHBondContact O-CG2 3.34Å; N568-T572 PolarHBondContact O-N 3.47Å; N568-T572 PolarHBondContact O-OG1 3.47Å
569	Q	32.6	Very low	33	Very low	127 Å²	127	99.6 Å²	99.6	59%	0.593	52%	0.519	S	S	*	.	H	α-helix	trans	-63.6	-45	170.4	-78.6	178.9	-11.2	0	0	112	G565 K566 T572 E573	G565-Q569 PolarHBondContact O-N 2.86Å; K566-Q569 PolarHBondContact O-N 3.39Å; Q569-T572 WeakPolarHBondContact CA-OG1 3.38Å; Q569-T572 PolarHBondContact O-N 2.92Å; Q569-T572 PolarHBondContact O-OG1 2.93Å; Q569-E573 WeakPolarHBondContact O-CB 3.26Å; Q569-E573 WeakPolarHBondContact O-CG 3.5Å; Q569-E573 PolarHBondContact O-N 3.17Å
570	L	31.9	Very low	33.1	Very low	101 Å²	101	97.4 Å²	97.4	53%	0.529	52%	0.52	S	S	.	.	H	α-helix	trans	-70.1	-32.1	176	-96.1	115.6	0	0	0	114	K566 K567 E573 K574	K566-L570 PolarHBondContact O-N 3.25Å; K567-L570 PolarHBondContact O-N 2.77Å; L570-E573 PolarHBondContact O-N 2.94Å; L570-K574 PolarHBondContact O-N 2.93Å
571	N	31.2	Very low	33.2	Very low	78 Å²	78	93.8 Å²	93.8	42%	0.417	50%	0.503	S	S	.	.	H	α-helix	trans	-79.8	-28.8	173.6	-77.3	-7.5	0	0	0	111.3	K567 N568 E573 K574 M575	K567-N571 WeakPolarHBondContact O-CA 3.36Å; K567-N571 WeakPolarHBondContact O-CB 3.46Å; K567-N571 VanDerWaalsContact O-CG 3.27Å; K567-N571 PolarHBondContact O-N 3.43Å; N568-N571 PolarHBondContact O-N 3.44Å; N571-E573 VanDerWaalsContact C-N 3.31Å; N571-K574 CarbonylContact O-C 3.58Å; N571-K574 PolarHBondContact O-N 3.49Å; N571-M575 WeakPolarHBondContact O-CA 3.26Å; N571-M575 WeakPolarHBondContact O-CB 3.23Å; N571-M575 WeakPolarHBondContact O-CG 3.26Å; N571-M575 PolarHBondContact O-N 3.49Å
572	T	31.1	Very low	33.2	Very low	87 Å²	87	95.8 Å²	95.8	53%	0.534	52%	0.519	S	S	.	.	H	α-helix	trans	-72.5	-25.9	167.9	52.7	0	0	0	0	112	N568 Q569 Q576	N568-T572 WeakPolarHBondContact O-CA 3.32Å; N568-T572 WeakPolarHBondContact O-CB 3.27Å; N568-T572 WeakPolarHBondContact O-CG2 3.34Å; N568-T572 PolarHBondContact O-N 3.47Å; N568-T572 PolarHBondContact O-OG1 3.47Å; Q569-T572 WeakPolarHBondContact CA-OG1 3.38Å; Q569-T572 PolarHBondContact O-N 2.92Å; Q569-T572 PolarHBondContact O-OG1 2.93Å; T572-Q576 WeakPolarHBondContact O-CG 3.33Å; T572-Q576 PolarHBondContact O-N 2.9Å
573	E	30.1	Very low	33.1	Very low	122 Å²	122	95 Å²	95	57%	0.57	52%	0.519	S	S	*	.	H	α-helix	trans	-77.2	-27.1	170.4	-77.5	176	176.2	0	0	112.7	Q569 L570 N571	Q569-E573 WeakPolarHBondContact O-CB 3.26Å; Q569-E573 WeakPolarHBondContact O-CG 3.5Å; Q569-E573 PolarHBondContact O-N 3.17Å; L570-E573 PolarHBondContact O-N 2.94Å; N571-E573 VanDerWaalsContact C-N 3.31Å
574	K	31.5	Very low	33.1	Very low	179 Å²	179	98.9 Å²	98.9	78%	0.778	53%	0.527	S	S	*	.	H	α-helix	trans	-94.5	-11.1	173	-72.7	-176	177.1	-178.6	0	114.9	L570 N571	L570-K574 PolarHBondContact O-N 2.93Å; N571-K574 CarbonylContact O-C 3.58Å; N571-K574 PolarHBondContact O-N 3.49Å
575	M	30.4	Very low	32.7	Very low	116 Å²	116	103 Å²	103	57%	0.571	56%	0.556	S	S	*	*			trans	-109.2	31.6	169.6	-64.9	-164.6	100.1	0	0	112.3	N571 N577 G578	N571-M575 WeakPolarHBondContact O-CA 3.26Å; N571-M575 WeakPolarHBondContact O-CB 3.23Å; N571-M575 WeakPolarHBondContact O-CG 3.26Å; N571-M575 PolarHBondContact O-N 3.49Å; M575-N577 PolarHBondContact O-N 3.22Å; M575-G578 PolarHBondContact O-N 3.46Å
576	Q	28.3	Very low	32.5	Very low	148 Å²	148	106.3 Å²	106.3	69%	0.692	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	23.3	176.4	-77.5	-170.8	-7.7	0	0	115.8	T572	T572-Q576 WeakPolarHBondContact O-CG 3.33Å; T572-Q576 PolarHBondContact O-N 2.9Å
577	N	32	Very low	32	Very low	146 Å²	146	105 Å²	105	78%	0.781	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	3.7	159.7	-76.4	-21.8	0	0	0	113.5	M575	M575-N577 PolarHBondContact O-N 3.22Å
578	G	31.7	Very low	31.8	Very low	54 Å²	54	104.5 Å²	104.5	56%	0.557	59%	0.585	S	S	*	*			trans	-116.5	59.6	-179.6	0	0	0	0	0	113.9	M575	M575-G578 PolarHBondContact O-N 3.46Å
579	G	32.9	Very low	31.8	Very low	37 Å²	37	106 Å²	106	38%	0.381	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-68.5	132	173.1	0	0	0	0	0	111.3	S150	S150-G579 WeakPolarHBondContact CB-O 3.5Å; S150-G579 PolarHBondContact OG-O 3.13Å
580	L	41	Very low	31.9	Very low	130 Å²	130	107.1 Å²	107.1	68%	0.681	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-52.5	145.7	165.4	-91	96	0	0	0	109.7	T221	T221-L580 HydrophobicContact CG2-CD2 3.95Å
581	P	34.6	Very low	32	Very low	23 Å²	23	107.8 Å²	107.8	15%	0.149	62%	0.621	C	S	.	*	P	Polyproline II helix	trans	-59	143.6	177.2	25.9	-31.7	0	0	0	109.7	Y190 V222 V583	Y190-P581 HydrophobicContact CE1-CG 4.12Å; V222-P581 HydrophobicContact CG2-CG 4.2Å; P581-V583 VanDerWaalsContact C-N 3.26Å; P581-V583 PolarHBondContact O-N 3.1Å
582	V	34.7	Very low	32.6	Very low	98 Å²	98	108.2 Å²	108.2	59%	0.594	63%	0.63	S	S	*	*	S	Bend	trans	-66.6	88.7	172.8	177.9	0	0	0	0	108.1
583	V	35.1	Very low	33.5	Very low	93 Å²	93	106.6 Å²	106.6	56%	0.564	62%	0.62	S	S	*	*			trans	-140.8	134.6	167.9	-175.1	0	0	0	0	107	P581	P581-V583 VanDerWaalsContact C-N 3.26Å; P581-V583 PolarHBondContact O-N 3.1Å
584	H	32.7	Very low	34.1	Very low	139 Å²	139	103.9 Å²	103.9	64%	0.644	61%	0.608	S	S	*	*			trans	-26.7	137.7	-167.8	-64	-61.5	0	0	0	117.4	R57 T586	R57-H584 PolarHBondContact NH2-CD2 3.09Å; R57-H584 PolarHBondContact NH2-NE2 2.91Å; H584-T586 PolarHBondContact O-N 3.2Å
585	P	26.7	Very low	34.8	Very low	125 Å²	125	97.6 Å²	97.6	81%	0.812	58%	0.584	S	S	*	*			trans	-62.8	112.7	-177.9	27.1	-32.7	0	0	0	110.1
586	T	29.9	Very low	35.7	Very low	102 Å²	102	94.9 Å²	94.9	63%	0.626	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-66.3	136.1	150.9	11	0	0	0	0	107.3	H584	H584-T586 PolarHBondContact O-N 3.2Å
587	P	26	Very low	36.8	Very low	109 Å²	109	89.1 Å²	89.1	71%	0.708	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-56.3	136.5	179.9	-10.4	18.6	0	0	0	109.2	A589	P587-A589 PolarHBondContact O-N 3.41Å
588	P	29.8	Very low	37.6	Very low	117 Å²	117	82.8 Å²	82.8	76%	0.76	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-57.9	131.3	172.1	24.3	-31.1	0	0	0	108.3	Q590	P588-Q590 PolarHBondContact O-N 2.91Å
589	A	34.6	Very low	38.5	Very low	94 Å²	94	83.2 Å²	83.2	78%	0.777	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-53.7	118.6	172.9	0	0	0	0	0	108.5	P587 P591	P587-A589 PolarHBondContact O-N 3.41Å; A589-P591 WeakPolarHBondContact O-CD 3.34Å
590	Q	33.4	Very low	39.6	Very low	152 Å²	152	84.4 Å²	84.4	71%	0.71	50%	0.502	S	S	*	.			trans	-60.7	115.6	-176.6	-79.2	-169.4	-23.9	0	0	110.6	P588 S592 V593	P588-Q590 PolarHBondContact O-N 2.91Å; Q590-S592 PolarHBondContact O-N 3.24Å; Q590-V593 HydrophobicContact CB-CG2 4.32Å
591	P	34	Very low	40.1	Very low	115 Å²	115	80.3 Å²	80.3	75%	0.747	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	89.6	176.7	31.1	-21.1	0	0	0	108.9	A589	A589-P591 WeakPolarHBondContact O-CD 3.34Å
592	S	44.7	Very low	41	Very low	86 Å²	86	81.1 Å²	81.1	60%	0.601	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-178.6	-18.5	161	54.8	0	0	0	0	112.8	Q590 E594 V595	Q590-S592 PolarHBondContact O-N 3.24Å; S592-E594 PolarHBondContact O-N 3.47Å; S592-V595 PolarHBondContact O-N 3.04Å
593	V	49	Very low	41.8	Very low	54 Å²	54	79.2 Å²	79.2	33%	0.327	47%	0.47	S	S	.	.	H	α-helix	trans	-60.4	-32	178.9	-176	0	0	0	0	111.9	Q590 V595 A596 E597	Q590-V593 HydrophobicContact CB-CG2 4.32Å; V593-V595 PolarHBondContact O-N 2.82Å; V593-A596 PolarHBondContact O-N 3.19Å; V593-E597 HydrophobicContact CG1-CG 3.96Å; V593-E597 WeakPolarHBondContact CG1-OE1 3.26Å; V593-E597 WeakPolarHBondContact O-CB 3.23Å; V593-E597 VanDerWaalsContact O-CG 3.25Å; V593-E597 WeakPolarHBondContact O-CG 3.37Å; V593-E597 PolarHBondContact O-N 2.87Å
594	E	42.7	Very low	42.7	Very low	65 Å²	65	76 Å²	76	30%	0.304	45%	0.449	S	S	.	.	H	α-helix	trans	-67.2	-37	-174.7	-59.2	-177.9	150.3	0	0	114.2	K561 S592 L598	K561-E594 VanDerWaalsContact NZ-CD 3.29Å; K561-E594 IonicContact NZ-OE1 3.88Å; K561-E594 PolarHBondContact NZ-OE1 2.91Å; K561-E594 IonicContact NZ-OE2 3.05Å; K561-E594 PolarHBondContact NZ-OE2 2.74Å; S592-E594 PolarHBondContact O-N 3.47Å; E594-L598 WeakPolarHBondContact O-CD1 3.35Å; E594-L598 WeakPolarHBondContact O-CG 3.45Å; E594-L598 PolarHBondContact O-N 3.28Å
595	V	47.2	Very low	43.5	Very low	46 Å²	46	73.8 Å²	73.8	28%	0.279	44%	0.435	S	S	.	.	H	α-helix	trans	-73.1	-42.4	176.6	176.9	0	0	0	0	109.7	C558 S592 V593 E597 L598 L599	C558-V595 HydrophobicContact CB-CG2 4.16Å; C558-V595 WeakPolarHBondContact SG-CG2 3.28Å; S592-V595 PolarHBondContact O-N 3.04Å; V593-V595 PolarHBondContact O-N 2.82Å; V595-E597 VanDerWaalsContact C-N 3.32Å; V595-E597 PolarHBondContact O-N 3.24Å; V595-L598 PolarHBondContact O-N 3.18Å; V595-L599 HydrophobicContact CG1-CD1 3.93Å; V595-L599 HydrophobicContact CG1-CG 4.3Å; V595-L599 WeakPolarHBondContact O-CB 3.49Å; V595-L599 WeakPolarHBondContact O-CG 3.36Å; V595-L599 PolarHBondContact O-N 3.32Å
596	A	48.2	Very low	44.6	Very low	60 Å²	60	75 Å²	75	50%	0.496	42%	0.424	S	S	.	.	H	α-helix	trans	-60	-42.7	174.7	0	0	0	0	0	111.2	V593 L598 Y600	V593-A596 PolarHBondContact O-N 3.19Å; A596-L598 PolarHBondContact O-N 3Å; A596-Y600 WeakPolarHBondContact O-CB 3.42Å; A596-Y600 PolarHBondContact O-N 3.35Å
597	E	52	Low	45.6	Very low	26 Å²	26	77.4 Å²	77.4	12%	0.121	43%	0.425	C	S	.	.	H	α-helix	trans	-61.7	-40.3	176.7	-79.8	176.3	168.3	0	0	112.8	W319 V593 V595 L601	W319-E597 HydrophobicContact CZ2-CB 4.31Å; W319-E597 HydrophobicContact CZ2-CG 4.41Å; V593-E597 HydrophobicContact CG1-CG 3.96Å; V593-E597 WeakPolarHBondContact CG1-OE1 3.26Å; V593-E597 WeakPolarHBondContact O-CB 3.23Å; V593-E597 VanDerWaalsContact O-CG 3.25Å; V593-E597 WeakPolarHBondContact O-CG 3.37Å; V593-E597 PolarHBondContact O-N 2.87Å; V595-E597 VanDerWaalsContact C-N 3.32Å; V595-E597 PolarHBondContact O-N 3.24Å; E597-L601 WeakPolarHBondContact O-CG 3.32Å; E597-L601 PolarHBondContact O-N 3.22Å
598	L	49.9	Very low	46.9	Very low	14 Å²	14	78.4 Å²	78.4	7%	0.073	42%	0.421	C	S	.	.	H	α-helix	trans	-75.6	-42.8	179.8	-77.8	160	0	0	0	112.9	K367 L554 E594 V595 A596 Y600 L601 L602	K367-L598 HydrophobicContact CG-CD2 4.21Å; L554-L598 HydrophobicContact CD1-CB 3.66Å; L554-L598 HydrophobicContact CD1-CD1 3.84Å; L554-L598 HydrophobicContact CD1-CD2 4.23Å; L554-L598 HydrophobicContact CD1-CG 4.13Å; L554-L598 HydrophobicContact CD2-CD1 3.56Å; L554-L598 HydrophobicContact CD2-CD2 4.44Å; L554-L598 HydrophobicContact CG-CD1 4.2Å; E594-L598 WeakPolarHBondContact O-CD1 3.35Å; E594-L598 WeakPolarHBondContact O-CG 3.45Å; E594-L598 PolarHBondContact O-N 3.28Å; V595-L598 PolarHBondContact O-N 3.18Å; A596-L598 PolarHBondContact O-N 3Å; L598-Y600 PolarHBondContact O-N 3.35Å; L598-L601 PolarHBondContact O-N 3.16Å; L598-L602 WeakPolarHBondContact O-CG 3.39Å; L598-L602 PolarHBondContact O-N 3.06Å
599	L	50.1	Low	47.4	Very low	63 Å²	63	78.4 Å²	78.4	33%	0.33	41%	0.414	S	S	.	.	H	α-helix	trans	-60.3	-36.2	171.4	-71.2	175.5	0	0	0	110.9	E551 V595 L602 D603	E551-L599 HydrophobicContact CB-CD2 4.29Å; E551-L599 HydrophobicContact CG-CD2 4.1Å; V595-L599 HydrophobicContact CG1-CD1 3.93Å; V595-L599 HydrophobicContact CG1-CG 4.3Å; V595-L599 WeakPolarHBondContact O-CB 3.49Å; V595-L599 WeakPolarHBondContact O-CG 3.36Å; V595-L599 PolarHBondContact O-N 3.32Å; L599-L602 WeakPolarHBondContact O-CB 3.07Å; L599-L602 PolarHBondContact O-N 3.17Å; L599-D603 PolarHBondContact O-N 2.88Å
600	Y	55.3	Low	47.3	Very low	62 Å²	62	77.1 Å²	77.1	24%	0.243	41%	0.41	C	S	.	.	H	α-helix	trans	-67.8	-43.2	176.5	-177.6	-102	0	0	0	112.8	I316 A596 L598 L602 D603 I604	I316-Y600 HydrophobicContact CB-CE1 4.25Å; I316-Y600 HydrophobicContact CD1-CE2 4.4Å; I316-Y600 WeakPolarHBondContact CD1-OH 3.13Å; I316-Y600 HydrophobicContact CG1-CE1 3.82Å; I316-Y600 HydrophobicContact CG1-CE2 4.38Å; I316-Y600 VanDerWaalsContact CG1-CZ 3.47Å; I316-Y600 WeakPolarHBondContact CG1-OH 3.45Å; I316-Y600 HydrophobicContact CG2-CE1 4.36Å; I316-Y600 VanDerWaalsContact CG2-OH 3.26Å; I316-Y600 WeakPolarHBondContact CG2-OH 3.47Å; A596-Y600 WeakPolarHBondContact O-CB 3.42Å; A596-Y600 PolarHBondContact O-N 3.35Å; L598-Y600 PolarHBondContact O-N 3.35Å; Y600-L602 PolarHBondContact O-N 3.32Å; Y600-D603 PolarHBondContact O-N 3.31Å; Y600-I604 HydrophobicContact CD1-CD1 3.83Å; Y600-I604 HydrophobicContact CE1-CD1 3.15Å; Y600-I604 HydrophobicContact CE1-CG1 3.91Å; Y600-I604 HydrophobicContact CE2-CG1 4.43Å; Y600-I604 VanDerWaalsContact CZ-CD1 3.5Å; Y600-I604 PolarHBondContact O-N 3.08Å; Y600-I604 WeakPolarHBondContact OH-CD1 3.49Å
601	L	52.5	Low	47.5	Very low	43 Å²	43	73.7 Å²	73.7	23%	0.225	41%	0.408	C	S	.	.	H	α-helix	trans	-60.9	-34.7	172.4	-74.9	170.9	0	0	0	112.1	W319 E597 L598 R605	W319-L601 HydrophobicContact CB-CD2 4.1Å; W319-L601 HydrophobicContact CD2-CD1 4.23Å; W319-L601 HydrophobicContact CD2-CD2 4.01Å; W319-L601 HydrophobicContact CD2-CG 4.43Å; W319-L601 HydrophobicContact CE3-CD1 4.13Å; W319-L601 HydrophobicContact CE3-CD2 4.2Å; W319-L601 HydrophobicContact CG-CD2 3.95Å; W319-L601 HydrophobicContact CH2-CD1 4.33Å; W319-L601 HydrophobicContact CZ2-CD1 4.4Å; W319-L601 HydrophobicContact CZ3-CD1 4.19Å; E597-L601 WeakPolarHBondContact O-CG 3.32Å; E597-L601 PolarHBondContact O-N 3.22Å; L598-L601 PolarHBondContact O-N 3.16Å; L601-R605 PolarHBondContact O-N 3.1Å; L601-R605 VanDerWaalsContact O-N 3.16Å
602	L	51.8	Low	47.5	Very low	40 Å²	40	71.3 Å²	71.3	21%	0.209	40%	0.404	C	S	.	.	H	α-helix	trans	-69.6	-39.8	174.5	-73.8	165	0	0	0	112.4	M550 L598 L599 Y600 R605 R606	M550-L602 HydrophobicContact CB-CD1 4.2Å; M550-L602 HydrophobicContact CE-CD2 4.22Å; M550-L602 HydrophobicContact CG-CD1 4.13Å; M550-L602 HydrophobicContact SD-CD1 3.81Å; M550-L602 HydrophobicContact SD-CD2 3.41Å; M550-L602 WeakPolarHBondContact SD-CD2 3.3Å; M550-L602 HydrophobicContact SD-CG 4.03Å; L598-L602 WeakPolarHBondContact O-CG 3.39Å; L598-L602 PolarHBondContact O-N 3.06Å; L599-L602 WeakPolarHBondContact O-CB 3.07Å; L599-L602 PolarHBondContact O-N 3.17Å; Y600-L602 PolarHBondContact O-N 3.32Å; L602-R605 PolarHBondContact O-N 3.5Å; L602-R606 WeakPolarHBondContact O-CB 3.46Å; L602-R606 PolarHBondContact O-N 3.18Å
603	D	51.9	Low	46.6	Very low	58 Å²	58	77.2 Å²	77.2	31%	0.31	42%	0.422	S	S	.	.	H	α-helix	trans	-66.3	-41.4	176.7	-169.4	50.1	0	0	0	112.1	L599 Y600 R605 R606 K607	L599-D603 PolarHBondContact O-N 2.88Å; Y600-D603 PolarHBondContact O-N 3.31Å; D603-R605 PolarHBondContact O-N 2.84Å; D603-R606 WeakPolarHBondContact O-CB 3.48Å; D603-R606 PolarHBondContact O-N 3.23Å; D603-R606 VanDerWaalsContact O-N 3.13Å; D603-K607 WeakPolarHBondContact O-CG 3.38Å; D603-K607 PolarHBondContact O-N 2.83Å; D603-K607 VanDerWaalsContact OD2-CE 3.23Å; D603-K607 WeakPolarHBondContact OD2-CE 3.46Å; D603-K607 IonicContact OD2-NZ 2.71Å; D603-K607 PolarHBondContact OD2-NZ 3.43Å
604	I	54.8	Low	45.9	Very low	25 Å²	25	79 Å²	79	13%	0.128	44%	0.442	C	S	.	.	H	α-helix	trans	-57.2	-50.1	171.9	-68.8	166.5	0	0	0	110.1	I316 Y600 R606 K607 E608	I316-I604 HydrophobicContact CG2-CD1 4.49Å; Y600-I604 HydrophobicContact CD1-CD1 3.83Å; Y600-I604 HydrophobicContact CE1-CD1 3.15Å; Y600-I604 HydrophobicContact CE1-CG1 3.91Å; Y600-I604 HydrophobicContact CE2-CG1 4.43Å; Y600-I604 VanDerWaalsContact CZ-CD1 3.5Å; Y600-I604 PolarHBondContact O-N 3.08Å; Y600-I604 WeakPolarHBondContact OH-CD1 3.49Å; I604-R606 PolarHBondContact O-N 3.03Å; I604-K607 PolarHBondContact O-N 3.22Å; I604-K607 VanDerWaalsContact O-N 3.14Å; I604-E608 VanDerWaalsContact CG2-CD 3.48Å; I604-E608 HydrophobicContact CG2-CG 4.07Å; I604-E608 VanDerWaalsContact CG2-OE1 3.31Å; I604-E608 WeakPolarHBondContact CG2-OE1 3.35Å; I604-E608 WeakPolarHBondContact O-CB 3.33Å; I604-E608 WeakPolarHBondContact O-CG 3.46Å; I604-E608 PolarHBondContact O-N 3.14Å
605	R	49.9	Very low	45	Very low	93 Å²	93	81.4 Å²	81.4	35%	0.351	47%	0.467	S	S	.	.	H	α-helix	trans	-61.8	-32.1	177.6	-83.4	-167.9	-180	-177.4	5.3	112.8	H370 D373 L601 L602 D603 N609	H370-R605 PolarHBondContact O-NH2 2.94Å; D373-R605 IonicContact OD1-NH1 3.84Å; L601-R605 PolarHBondContact O-N 3.1Å; L601-R605 VanDerWaalsContact O-N 3.16Å; L602-R605 PolarHBondContact O-N 3.5Å; D603-R605 PolarHBondContact O-N 2.84Å; R605-N609 VanDerWaalsContact O-CB 3.31Å; R605-N609 WeakPolarHBondContact O-CB 3.39Å; R605-N609 VanDerWaalsContact O-CG 3.3Å; R605-N609 PolarHBondContact O-N 3.44Å; R605-N609 VanDerWaalsContact O-N 3.15Å; R605-N609 PolarHBondContact O-ND2 3.4Å
606	R	49.1	Very low	44.2	Very low	151 Å²	151	87.3 Å²	87.3	57%	0.57	49%	0.493	S	S	*	.	H	α-helix	trans	-68.8	-39.4	177.1	-162	-177.8	-108.6	179	-5.8	111.1	L602 D603 I604	L602-R606 WeakPolarHBondContact O-CB 3.46Å; L602-R606 PolarHBondContact O-N 3.18Å; D603-R606 WeakPolarHBondContact O-CB 3.48Å; D603-R606 PolarHBondContact O-N 3.23Å; D603-R606 VanDerWaalsContact O-N 3.13Å; I604-R606 PolarHBondContact O-N 3.03Å
607	K	51.8	Low	43.1	Very low	153 Å²	153	94 Å²	94	67%	0.665	51%	0.514	S	S	*	.	H	α-helix	trans	-71.9	-39.7	176.2	-70.1	173.6	-179.5	161.1	0	112.8	D603 I604 N609	D603-K607 WeakPolarHBondContact O-CG 3.38Å; D603-K607 PolarHBondContact O-N 2.83Å; D603-K607 VanDerWaalsContact OD2-CE 3.23Å; D603-K607 WeakPolarHBondContact OD2-CE 3.46Å; D603-K607 IonicContact OD2-NZ 2.71Å; D603-K607 PolarHBondContact OD2-NZ 3.43Å; I604-K607 PolarHBondContact O-N 3.22Å; I604-K607 VanDerWaalsContact O-N 3.14Å; K607-N609 VanDerWaalsContact C-N 3.31Å; K607-N609 PolarHBondContact O-N 2.94Å
608	E	51.5	Low	42	Very low	130 Å²	130	96.5 Å²	96.5	61%	0.607	54%	0.535	S	S	*	.	H	α-helix	trans	-68.9	-27.5	177.7	-73	175.9	170.3	0	0	112.9	I604 G610	I604-E608 VanDerWaalsContact CG2-CD 3.48Å; I604-E608 HydrophobicContact CG2-CG 4.07Å; I604-E608 VanDerWaalsContact CG2-OE1 3.31Å; I604-E608 WeakPolarHBondContact CG2-OE1 3.35Å; I604-E608 WeakPolarHBondContact O-CB 3.33Å; I604-E608 WeakPolarHBondContact O-CG 3.46Å; I604-E608 PolarHBondContact O-N 3.14Å; E608-G610 PolarHBondContact O-N 3.25Å
609	N	40.8	Very low	40.9	Very low	116 Å²	116	100.8 Å²	100.8	62%	0.62	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	14.8	-179.1	-71.4	-48.3	0	0	0	114.9	R605 K607 A611	R605-N609 VanDerWaalsContact O-CB 3.31Å; R605-N609 WeakPolarHBondContact O-CB 3.39Å; R605-N609 VanDerWaalsContact O-CG 3.3Å; R605-N609 PolarHBondContact O-N 3.44Å; R605-N609 VanDerWaalsContact O-N 3.15Å; R605-N609 PolarHBondContact O-ND2 3.4Å; K607-N609 VanDerWaalsContact C-N 3.31Å; K607-N609 PolarHBondContact O-N 2.94Å; N609-A611 PolarHBondContact O-N 3.33Å
610	G	33.6	Very low	39.8	Very low	67 Å²	67	107.5 Å²	107.5	69%	0.691	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.7	29.1	163.3	0	0	0	0	0	116.4	E608 G612	E608-G610 PolarHBondContact O-N 3.25Å; G610-G612 PolarHBondContact O-N 3.03Å; G610-G612 VanDerWaalsContact O-N 3.09Å
611	A	37.4	Very low	38.5	Very low	81 Å²	81	107.5 Å²	107.5	67%	0.669	61%	0.612	S	S	*	*			trans	-74.4	99.5	167.7	0	0	0	0	0	108.9	N609	N609-A611 PolarHBondContact O-N 3.33Å
612	G	33.1	Very low	37.2	Very low	65 Å²	65	112.3 Å²	112.3	67%	0.67	64%	0.637	S	S	*	*			trans	-55	157	-179.8	0	0	0	0	0	114.3	G610 A614	G610-G612 PolarHBondContact O-N 3.03Å; G610-G612 VanDerWaalsContact O-N 3.09Å; G612-A614 PolarHBondContact O-N 3.42Å
613	E	26.9	Very low	36	Very low	209 Å²	209	117.1 Å²	117.1	98%	0.977	66%	0.662	S	S	*	*			trans	-38.6	105.8	171.5	-64.8	169.4	160	0	0	111.8
614	A	32.7	Very low	34.8	Very low	91 Å²	91	118.4 Å²	118.4	75%	0.752	68%	0.676	S	S	*	*			trans	-118.3	105.4	160.2	0	0	0	0	0	107	G612 M616	G612-A614 PolarHBondContact O-N 3.42Å; A614-M616 PolarHBondContact O-N 3.19Å; A614-M616 VanDerWaalsContact O-N 3.16Å
615	S	25.6	Very low	33.4	Very low	116 Å²	116	122.6 Å²	122.6	81%	0.811	71%	0.707	S	S	*	*			trans	-43.3	111.5	168.1	51.3	0	0	0	0	111.9
616	M	29.7	Very low	32.4	Very low	171 Å²	171	125.4 Å²	125.4	84%	0.842	73%	0.728	S	S	*	*			trans	-125.6	84.7	149.4	-83.5	-157.1	-163.6	0	0	107.9	A614 S618	A614-M616 PolarHBondContact O-N 3.19Å; A614-M616 VanDerWaalsContact O-N 3.16Å; M616-S618 PolarHBondContact O-N 3.38Å; M616-S618 VanDerWaalsContact O-N 3.08Å
617	E	25.7	Very low	31.3	Very low	200 Å²	200	124.9 Å²	124.9	94%	0.935	74%	0.737	S	S	*	*			trans	-64.3	92.1	148.3	-73.8	-178.3	153.1	0	0	107.6
618	S	28.7	Very low	30	Very low	79 Å²	79	123.9 Å²	123.9	55%	0.552	75%	0.748	S	S	*	*			trans	-163.7	111.7	156.1	58.2	0	0	0	0	110.5	M616	M616-S618 PolarHBondContact O-N 3.38Å; M616-S618 VanDerWaalsContact O-N 3.08Å
619	S	25.6	Very low	28.9	Very low	104 Å²	104	122.2 Å²	122.2	73%	0.727	75%	0.751	S	S	*	*			trans	57.8	73.1	152.8	61.1	0	0	0	0	118.6
620	F	28.5	Very low	28.1	Very low	204 Å²	204	126.1 Å²	126.1	90%	0.895	77%	0.765	S	S	*	*			trans	-132	72.9	136	-91.5	-81.4	0	0	0	108.1
621	G	26.8	Very low	27.7	Very low	62 Å²	62	128.4 Å²	128.4	64%	0.639	77%	0.771	S	S	*	*			trans	-74	134.9	166.2	0	0	0	0	0	110
622	N	24.7	Very low	27.2	Very low	143 Å²	143	130.7 Å²	130.7	77%	0.765	78%	0.782	S	S	*	*			trans	52	80.2	156.5	-60.7	-13.5	0	0	0	117.1
623	I	27.2	Very low	26.8	Very low	141 Å²	141	130.8 Å²	130.8	72%	0.723	78%	0.782	S	S	*	*			trans	-116.5	53.5	144.1	-51.7	173.1	0	0	0	107.8
624	S	26.5	Very low	26.6	Very low	86 Å²	86	132.3 Å²	132.3	60%	0.601	78%	0.781	S	S	*	*	S	Bend	trans	-108.7	134.3	144.6	49.3	0	0	0	0	104.6
625	S	26.7	Very low	26.2	Very low	113 Å²	113	133.2 Å²	133.2	79%	0.79	79%	0.789	S	S	*	*			trans	69.7	78.8	-171	80	0	0	0	0	116.5
626	L	27.9	Very low	26.2	Very low	151 Å²	151	130.8 Å²	130.8	79%	0.791	78%	0.782	S	S	*	*			trans	-117.2	100.1	147	-103.8	155.7	0	0	0	107.3	C628	L626-C628 PolarHBondContact O-N 3.19Å
627	N	25.9	Very low	25.9	Very low	141 Å²	141	131.9 Å²	131.9	75%	0.754	79%	0.785	S	S	*	*			trans	-54.4	116.4	169.4	-79.1	-31.8	0	0	0	109.9
628	C	25.5	Very low	25.9	Very low	132 Å²	132	129.5 Å²	129.5	89%	0.892	78%	0.783	S	S	*	*			trans	-106.1	69.4	147	-110.6	0	0	0	0	107.5	L626 Q630	L626-C628 PolarHBondContact O-N 3.19Å; C628-Q630 PolarHBondContact O-N 2.92Å
629	S	26.5	Very low	25.8	Very low	95 Å²	95	130.5 Å²	130.5	66%	0.664	80%	0.796	S	S	*	*			trans	-72.6	101.1	157.6	50.2	0	0	0	0	107.6
630	Q	25.1	Very low	25.8	Very low	197 Å²	197	134.2 Å²	134.2	92%	0.921	80%	0.802	S	S	*	*			trans	154.4	77.2	151	-85	179.2	14.7	0	0	109.8	C628	C628-Q630 PolarHBondContact O-N 2.92Å
631	S	25.4	Very low	25.6	Very low	116 Å²	116	134.7 Å²	134.7	81%	0.811	80%	0.804	S	S	*	*			trans	-152.2	87.4	151.6	62.5	0	0	0	0	107.7
632	S	26.3	Very low	25.4	Very low	129 Å²	129	136 Å²	136	90%	0.902	81%	0.809	S	S	*	*			trans	-68.8	125.7	170.9	53.1	0	0	0	0	109.9
633	G	24.1	Very low	25.4	Very low	66 Å²	66	134.6 Å²	134.6	68%	0.68	81%	0.811	S	S	*	*	S	Bend	trans	137.4	93.5	163.1	0	0	0	0	0	114.6
634	Y	23.7	Very low	25.4	Very low	241 Å²	241	137 Å²	137	95%	0.945	82%	0.816	S	S	*	*			trans	62.1	77.6	154	-78.3	-91.6	0	0	0	118.4
635	A	24.5	Very low	25.5	Very low	111 Å²	111	141.3 Å²	141.3	92%	0.917	83%	0.827	S	S	*	*			trans	-146	87.9	152.2	0	0	0	0	0	108.9
636	G	24.5	Very low	25.6	Very low	65 Å²	65	142.9 Å²	142.9	67%	0.67	83%	0.825	S	S	*	*			trans	-163.1	139	172.3	0	0	0	0	0	107
637	E	24.7	Very low	25.6	Very low	194 Å²	194	143.3 Å²	143.3	91%	0.907	83%	0.828	S	S	*	*	S	Bend	trans	88.6	54.8	178.3	-51.3	-178.2	171.3	0	0	118.6
638	V	25.3	Very low	25.8	Very low	149 Å²	149	140 Å²	140	90%	0.903	83%	0.827	S	S	*	*	S	Bend	trans	-152.8	67.8	143.5	-165.6	0	0	0	0	110.4
639	A	25.6	Very low	25.8	Very low	100 Å²	100	142 Å²	142	83%	0.826	82%	0.823	S	S	*	*	S	Bend	trans	-162.2	41.4	167	0	0	0	0	0	113
640	E	25.5	Very low	25.8	Very low	182 Å²	182	143.3 Å²	143.3	85%	0.85	83%	0.83	S	S	*	*			trans	-160.4	56.8	173.2	-142.1	170.5	-161	0	0	112.5
641	F	24.5	Very low	25.8	Very low	214 Å²	214	141.5 Å²	141.5	94%	0.939	82%	0.819	S	S	*	*			trans	-143.3	59.9	165.5	-96.6	-78	0	0	0	110.4
642	A	24.1	Very low	25.9	Very low	90 Å²	90	148.6 Å²	148.6	74%	0.744	83%	0.828	S	S	*	*	S	Bend	trans	-134.7	115.4	151.5	0	0	0	0	0	106.3
643	S	24.2	Very low	25.8	Very low	114 Å²	114	149.8 Å²	149.8	80%	0.797	82%	0.819	S	S	*	*	S	Bend	trans	89.7	118.4	176.2	-47.8	0	0	0	0	117.2
644	K	26.5	Very low	26.1	Very low	190 Å²	190	151.8 Å²	151.8	83%	0.826	82%	0.823	S	S	*	*			trans	81.4	132.9	175.4	-50	171.8	178.4	178	0	111.8
645	E	29.2	Very low	26.3	Very low	177 Å²	177	147.6 Å²	147.6	83%	0.827	82%	0.816	S	S	*	*			cis	-148.8	138.4	25.8	-65.1	172.4	133.4	0	0	107
646	I	29.1	Very low	26.7	Very low	146 Å²	146	147.3 Å²	147.3	75%	0.749	81%	0.805	S	S	*	*				48	105.3	78.1	-56.1	179.6	0	0	0	113.1
647	N	28.3	Very low	27	Very low	161 Å²	161	149.2 Å²	149.2	86%	0.861	81%	0.808	S	S	*	*			trans	71.2	125.5	157	-60.1	-19.7	0	0	0	120
648	G	28.3	Very low	27.1	Very low	72 Å²	72	145.4 Å²	145.4	74%	0.742	80%	0.802	S	S	*	*			trans	118.5	92.6	140.1	0	0	0	0	0	118
649	E	26.6	Very low	27.4	Very low	173 Å²	173	142.8 Å²	142.8	81%	0.808	79%	0.789	S	S	*	*			trans	57.2	131.4	144.8	-60.2	-129.9	143.8	0	0	122.8
650	P	27	Very low	27.6	Very low	123 Å²	123	148.4 Å²	148.4	80%	0.799	80%	0.795	S	S	*	*			trans	-97.5	136.1	168	36.3	-26.8	0	0	0	112.2
651	K	25.2	Very low	27.7	Very low	158 Å²	158	147.1 Å²	147.1	69%	0.687	79%	0.794	S	S	*	*			trans	-142.6	114.9	164.8	-90.6	-178.4	179.4	171.9	0	110.7
652	W	26.7	Very low	28.1	Very low	265 Å²	265	140.8 Å²	140.8	100%	1.004	78%	0.781	S	S	*	*			trans	-146.1	112.8	131.3	-85.1	105.1	0	0	0	108.8
653	Q	23.9	Very low	28.5	Very low	154 Å²	154	143 Å²	143	72%	0.72	78%	0.78	S	S	*	*			trans	-93.5	146	173.1	-70	174	-36.1	0	0	109.7
654	S	30.9	Very low	28.7	Very low	108 Å²	108	144.3 Å²	144.3	76%	0.755	78%	0.778	S	S	*	*			trans	179.5	91.7	133.4	52.5	0	0	0	0	108.3
655	L	27.9	Very low	28.8	Very low	153 Å²	153	142 Å²	142	80%	0.801	78%	0.78	S	S	*	*				83.3	157.4	83	-80	162.6	0	0	0	113.3
656	P	32	Very low	28.7	Very low	105 Å²	105	140 Å²	140	68%	0.682	78%	0.78	S	S	*	*			cis	-134.9	165	-38	30.6	-11	0	0	0	112.4
657	S	31	Very low	28.7	Very low	105 Å²	105	142.1 Å²	142.1	73%	0.734	79%	0.786	S	S	*	*				167.6	113.6	83.2	-45.7	0	0	0	0	107.7
658	S	27.7	Very low	28.5	Very low	114 Å²	114	144.8 Å²	144.8	80%	0.797	79%	0.79	S	S	*	*				80.1	152.9	92.2	-160.5	0	0	0	0	115.8
659	P	31.6	Very low	28.3	Very low	94 Å²	94	145.6 Å²	145.6	61%	0.61	79%	0.79	S	S	*	*				-140.6	161.9	-56	41.3	-25.5	0	0	0	113.3
660	F	30.2	Very low	28.2	Very low	218 Å²	218	148.9 Å²	148.9	96%	0.956	80%	0.795	S	S	*	*			trans	-152.5	108.3	147.5	-99.1	-73.5	0	0	0	109.9
661	D	27.2	Very low	28	Very low	155 Å²	155	150.2 Å²	150.2	83%	0.829	80%	0.801	S	S	*	*			trans	-67.8	149.5	170.7	-84.7	-47.8	0	0	0	112.4
662	A	32.3	Very low	28	Very low	81 Å²	81	147.9 Å²	147.9	67%	0.669	81%	0.805	S	S	*	*				160.4	120.4	109	0	0	0	0	0	113.3
663	N	32.1	Very low	27.9	Very low	137 Å²	137	139.3 Å²	139.3	73%	0.733	79%	0.785	S	S	*	*			trans	80.1	109.8	137	-63.2	-21.5	0	0	0	121.9
664	N	29.4	Very low	27.8	Very low	141 Å²	141	141 Å²	141	75%	0.754	80%	0.796	S	S	*	*				66.8	113.7	125.3	-61.9	-23.2	0	0	0	118.7
665	V	29.5	Very low	27.5	Very low	141 Å²	141	142.6 Å²	142.6	86%	0.855	79%	0.791	S	S	*	*				-179.5	134.3	93.1	161	0	0	0	0	109
666	V	26	Very low	27.3	Very low	137 Å²	137	144 Å²	144	83%	0.83	80%	0.798	S	S	*	*			trans	-62.2	120.2	-178.9	173.2	0	0	0	0	112.4
667	Q	29.4	Very low	26.8	Very low	189 Å²	189	143.9 Å²	143.9	88%	0.883	80%	0.796	S	S	*	*			trans	-146.3	125.7	149.8	-93.4	-168.7	-11	0	0	110.7	A669	Q667-A669 PolarHBondContact O-N 3.4Å
668	K	23.7	Very low	26.5	Very low	217 Å²	217	146.2 Å²	146.2	94%	0.943	80%	0.8	S	S	*	*			trans	-50	119.2	177.3	-84.4	169.1	167	171.2	0	112.3
669	A	24.1	Very low	26.3	Very low	90 Å²	90	145.8 Å²	145.8	74%	0.744	79%	0.792	S	S	*	*			trans	-154.5	122.8	159.5	0	0	0	0	0	112	Q667	Q667-A669 PolarHBondContact O-N 3.4Å
670	R	24.1	Very low	26.1	Very low	241 Å²	241	147.9 Å²	147.9	91%	0.909	79%	0.794	S	S	*	*			trans	44.4	108.2	149.4	-67.5	179.1	173.1	172.2	-1.9	118.4	S672	R670-S672 PolarHBondContact O-N 2.99Å
671	T	24	Very low	26.1	Very low	152 Å²	152	142.3 Å²	142.3	93%	0.933	77%	0.771	S	S	*	*			trans	-54.1	100.7	157.8	48.1	0	0	0	0	111
672	S	23.7	Very low	26.1	Very low	108 Å²	108	140.4 Å²	140.4	76%	0.755	77%	0.767	S	S	*	*			trans	-98.8	98	159	60.3	0	0	0	0	108.4	R670 M674	R670-S672 PolarHBondContact O-N 2.99Å; S672-M674 PolarHBondContact O-N 2.76Å
673	S	24.6	Very low	25.9	Very low	85 Å²	85	140.2 Å²	140.2	59%	0.594	76%	0.759	S	S	*	*			trans	-67.5	115.3	162.4	179.5	0	0	0	0	107.6	H675	S673-H675 PolarHBondContact O-N 3.13Å; S673-H675 PolarHBondContact OG-CD2 3.43Å; S673-H675 PolarHBondContact OG-NE2 3.26Å
674	M	22.9	Very low	25.6	Very low	191 Å²	191	142 Å²	142	94%	0.941	76%	0.761	S	S	*	*			trans	-65.9	82.9	162.4	-82.4	-177.7	76.5	0	0	107.8	S672	S672-M674 PolarHBondContact O-N 2.76Å
675	H	24.5	Very low	25.5	Very low	141 Å²	141	144.6 Å²	144.6	65%	0.653	77%	0.766	S	S	*	*			trans	-72.7	127.8	157.6	-81.4	-63.4	0	0	0	108	S673 T677	S673-H675 PolarHBondContact O-N 3.13Å; S673-H675 PolarHBondContact OG-CD2 3.43Å; S673-H675 PolarHBondContact OG-NE2 3.26Å; H675-T677 HydrophobicContact CB-CG2 4.31Å; H675-T677 PolarHBondContact O-N 2.87Å
676	L	22.5	Very low	25.3	Very low	182 Å²	182	143 Å²	143	95%	0.953	77%	0.768	S	S	*	*			trans	-53.2	85.8	150.2	-92.5	146.8	0	0	0	107.2	N678	L676-N678 PolarHBondContact O-N 2.88Å
677	T	22.7	Very low	25.3	Very low	103 Å²	103	139.6 Å²	139.6	63%	0.632	76%	0.76	S	S	*	*			trans	-70.1	105.6	176.9	44.7	0	0	0	0	107.4	H675 V679	H675-T677 HydrophobicContact CB-CG2 4.31Å; H675-T677 PolarHBondContact O-N 2.87Å; T677-V679 PolarHBondContact O-N 3.44Å
678	N	24.6	Very low	25	Very low	154 Å²	154	140 Å²	140	82%	0.824	76%	0.762	S	S	*	*			trans	-47.2	93.8	141.9	-97.1	-27.1	0	0	0	107.2	L676 Q680	L676-N678 PolarHBondContact O-N 2.88Å; N678-Q680 PolarHBondContact O-N 3.3Å
679	V	24.1	Very low	25	Very low	104 Å²	104	138.4 Å²	138.4	63%	0.63	76%	0.758	S	S	*	*			trans	-74.1	91.5	173.5	-179.4	0	0	0	0	106.5	T677 E681	T677-V679 PolarHBondContact O-N 3.44Å; V679-E681 PolarHBondContact O-N 3.4Å
680	Q	27.4	Very low	25	Very low	138 Å²	138	139.6 Å²	139.6	65%	0.645	76%	0.758	S	S	*	*			trans	-47.9	126.4	156.2	-68.7	174.7	-25.9	0	0	108.1	N678 P682	N678-Q680 PolarHBondContact O-N 3.3Å; Q680-P682 WeakPolarHBondContact O-CD 3.31Å
681	E	30.2	Very low	25.2	Very low	102 Å²	102	133.8 Å²	133.8	48%	0.477	75%	0.749	S	S	.	*			trans	-57.7	125.9	166.5	-74.2	-174.5	158.8	0	0	107.7	R168 H169 V679 C683	R168-E681 IonicContact NH2-OE1 2.77Å; R168-E681 PolarHBondContact NH2-OE1 2.97Å; H169-E681 IonicContact CE1-OE1 3.49Å; V679-E681 PolarHBondContact O-N 3.4Å; E681-C683 PolarHBondContact O-N 3.03Å
682	P	26.9	Very low	25.1	Very low	114 Å²	114	133.5 Å²	133.5	74%	0.74	74%	0.742	S	S	*	*			trans	-66.8	109.3	172.1	25.5	-28.2	0	0	0	107.4	Q680 F684	Q680-P682 WeakPolarHBondContact O-CD 3.31Å; P682-F684 PolarHBondContact O-N 3.06Å; P682-F684 VanDerWaalsContact O-N 3.08Å
683	C	26.7	Very low	25.2	Very low	77 Å²	77	133.1 Å²	133.1	52%	0.52	74%	0.739	S	S	.	*			trans	-46.4	119.3	158.9	-101.9	0	0	0	0	107.3	E681 K685	E681-C683 PolarHBondContact O-N 3.03Å; C683-K685 PolarHBondContact O-N 2.88Å
684	F	27.4	Very low	25.3	Very low	174 Å²	174	139.6 Å²	139.6	76%	0.763	76%	0.757	S	S	*	*			trans	-54.1	107.7	165.8	-94.8	-93.7	0	0	0	107.1	P682 A686	P682-F684 PolarHBondContact O-N 3.06Å; P682-F684 VanDerWaalsContact O-N 3.08Å; F684-A686 PolarHBondContact O-N 3.22Å
685	K	26.2	Very low	25.4	Very low	196 Å²	196	137.7 Å²	137.7	85%	0.852	75%	0.75	S	S	*	*			trans	-59.5	118.8	161.6	-76.2	-174.7	175	-175.9	0	105.8	C683 G687	C683-K685 PolarHBondContact O-N 2.88Å; K685-G687 PolarHBondContact O-N 2.91Å
686	A	25.3	Very low	25.4	Very low	109 Å²	109	138.5 Å²	138.5	90%	0.901	76%	0.759	S	S	*	*			trans	-62.5	84.3	163.1	0	0	0	0	0	107.7	F684	F684-A686 PolarHBondContact O-N 3.22Å
687	G	25.7	Very low	25.5	Very low	65 Å²	65	133 Å²	133	67%	0.67	75%	0.746	S	S	*	*			trans	-89.1	114.1	169.8	0	0	0	0	0	108	K685 Q689	K685-G687 PolarHBondContact O-N 2.91Å; G687-Q689 PolarHBondContact O-N 3.22Å
688	Q	23.2	Very low	25.6	Very low	196 Å²	196	138.8 Å²	138.8	92%	0.916	76%	0.758	S	S	*	*			trans	-49.1	117.9	167.6	-68.9	169.5	-28.6	0	0	110.1
689	Q	24.9	Very low	25.6	Very low	185 Å²	185	136.4 Å²	136.4	86%	0.864	75%	0.754	S	S	*	*			trans	-135.2	131.7	146.3	-82.4	-158.2	-35.5	0	0	108.3	G687	G687-Q689 PolarHBondContact O-N 3.22Å
690	P	23.5	Very low	25.6	Very low	114 Å²	114	140.4 Å²	140.4	74%	0.74	77%	0.765	S	S	*	*			trans	-83.1	179.1	-179.3	36.3	-32.6	0	0	0	110.5
691	T	27.4	Very low	25.5	Very low	119 Å²	119	141.6 Å²	141.6	73%	0.73	77%	0.771	S	S	*	*			trans	104.9	87.1	168.2	77.5	0	0	0	0	116.8
692	D	23.8	Very low	25.3	Very low	147 Å²	147	144.1 Å²	144.1	79%	0.786	78%	0.777	S	S	*	*				70	129.4	113.9	-60.8	-29.1	0	0	0	122.1
693	S	25.4	Very low	25.2	Very low	99 Å²	99	141.6 Å²	141.6	69%	0.692	76%	0.762	S	S	*	*			trans	76.6	77.4	157	69.7	0	0	0	0	117.8
694	F	27.1	Very low	25.2	Very low	222 Å²	222	145.9 Å²	145.9	97%	0.974	77%	0.772	S	S	*	*				-162.8	80.7	121.5	-100.3	-74.6	0	0	0	107.4
695	L	24.1	Very low	25.4	Very low	150 Å²	150	138.3 Å²	138.3	79%	0.785	74%	0.74	S	S	*	*			trans	-78.2	153.9	178.5	-86.2	163.5	0	0	0	111.6
696	N	23.8	Very low	25.8	Very low	159 Å²	159	129.6 Å²	129.6	85%	0.85	70%	0.704	S	S	*	*			trans	94.4	101	157.5	-59.6	-18.3	0	0	0	117.4
697	G	25.3	Very low	26	Very low	66 Å²	66	125.8 Å²	125.8	68%	0.68	67%	0.666	S	S	*	*	S	Bend	trans	164.8	-22.2	152.1	0	0	0	0	0	118.5
698	Y	25.5	Very low	26.2	Very low	224 Å²	224	125.2 Å²	125.2	88%	0.878	65%	0.652	S	S	*	*			trans	-119.4	57.1	-166.1	-70.4	-78.5	0	0	0	114.4
699	S	23.3	Very low	26.6	Very low	105 Å²	105	118.6 Å²	118.6	73%	0.734	63%	0.625	S	S	*	*			trans	-117.3	111.9	158.3	62.8	0	0	0	0	107.7
700	Q	24.8	Very low	26.9	Very low	187 Å²	187	111.3 Å²	111.3	87%	0.874	59%	0.59	S	S	*	*	S	Bend	trans	122.5	91.6	176.5	-71.9	177.3	16.3	0	0	111.7
701	Q	24.9	Very low	27.1	Very low	163 Å²	163	113.8 Å²	113.8	76%	0.762	59%	0.592	S	S	*	*			trans	175.2	5	148.8	-101.8	176.4	4.4	0	0	114.2	S703	Q701-S703 VanDerWaalsContact C-N 3.27Å; Q701-S703 PolarHBondContact O-N 3.15Å
702	Y	25.6	Very low	27	Very low	156 Å²	156	114.4 Å²	114.4	61%	0.612	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	59.4	178.8	-76.1	-77.8	0	0	0	113.6	K206	K206-Y702 PolarHBondContact NZ-O 3.04Å
703	S	25.6	Very low	27.1	Very low	61 Å²	61	112.1 Å²	112.1	43%	0.427	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-142.6	21.7	170.8	84.2	0	0	0	0	115.6	Q701 T705	Q701-S703 VanDerWaalsContact C-N 3.27Å; Q701-S703 PolarHBondContact O-N 3.15Å; S703-T705 VanDerWaalsContact C-N 3.33Å; S703-T705 PolarHBondContact O-N 3.08Å
704	K	27.4	Very low	27.1	Very low	166 Å²	166	113.1 Å²	113.1	72%	0.722	59%	0.586	S	S	*	*			trans	-95.1	68.2	167.8	-69.6	-171.2	177.4	-172.6	0	109.4	S708	K704-S708 VanDerWaalsContact CA-OG 3.24Å; K704-S708 WeakPolarHBondContact CA-OG 3.18Å; K704-S708 WeakPolarHBondContact CB-OG 3.19Å
705	T	30.4	Very low	27	Very low	15 Å²	15	107.1 Å²	107.1	9%	0.092	57%	0.567	C	S	.	*			trans	-71.4	157.4	167.3	42.1	0	0	0	0	108.7	H291 S703 W707 S708	H291-T705 PolarHBondContact CD2-OG1 2.91Å; H291-T705 PolarHBondContact CE1-OG1 2.04Å; H291-T705 VanDerWaalsContact CE1-OG1 3.32Å; H291-T705 PolarHBondContact NE2-OG1 2.88Å; S703-T705 VanDerWaalsContact C-N 3.33Å; S703-T705 PolarHBondContact O-N 3.08Å; T705-W707 PolarHBondContact O-N 2.93Å; T705-S708 PolarHBondContact O-N 3.45Å; T705-S708 PolarHBondContact O-OG 3.27Å
706	C	34.1	Very low	27.1	Very low	13 Å²	13	106.5 Å²	106.5	9%	0.088	56%	0.564	C	S	.	*	T	Hydrogen-bonded Turn	trans	-28.5	-26.7	176.7	-139.6	0	0	0	0	116.6	F710	C706-F710 VanDerWaalsContact O-CD2 3.27Å; C706-F710 WeakPolarHBondContact O-CD2 3.35Å; C706-F710 WeakPolarHBondContact O-CE2 3.46Å
707	W	30.7	Very low	27.4	Very low	29 Å²	29	108.1 Å²	108.1	11%	0.11	56%	0.559	C	S	.	*	T	Hydrogen-bonded Turn	trans	-86.1	-23.9	-178.6	-63.1	93.2	0	0	0	116.2	H291 M294 T412 L415 T705 T709 F710	H291-W707 HydrophobicContact CB-CB 3.78Å; H291-W707 HydrophobicContact CB-CD2 4.07Å; H291-W707 HydrophobicContact CB-CG 3.36Å; H291-W707 AromaticContact CG-CD1 3.98Å; M294-W707 HydrophobicContact CG-CZ2 4.09Å; T412-W707 HydrophobicContact CG2-CH2 4.18Å; L415-W707 HydrophobicContact CD2-CD2 4.11Å; L415-W707 HydrophobicContact CD2-CE3 4.13Å; L415-W707 HydrophobicContact CD2-CH2 3.31Å; L415-W707 HydrophobicContact CD2-CZ2 3.22Å; L415-W707 HydrophobicContact CD2-CZ3 3.74Å; T705-W707 PolarHBondContact O-N 2.93Å; W707-T709 PolarHBondContact O-N 2.91Å; W707-F710 HydrophobicContact CD2-CE2 4.41Å; W707-F710 HydrophobicContact CE3-CD2 4.07Å; W707-F710 HydrophobicContact CE3-CE2 4.01Å; W707-F710 WeakPolarHBondContact O-CB 3.49Å; W707-F710 WeakPolarHBondContact O-CD2 3.2Å; W707-F710 PolarHBondContact O-N 2.84Å; W707-F710 VanDerWaalsContact O-N 3.15Å
708	S	29.1	Very low	27.3	Very low	53 Å²	53	115.2 Å²	115.2	37%	0.371	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	-71.2	-14.8	-179.4	60.4	0	0	0	0	113.8	K704 T705 F710	K704-S708 VanDerWaalsContact CA-OG 3.24Å; K704-S708 WeakPolarHBondContact CA-OG 3.18Å; K704-S708 WeakPolarHBondContact CB-OG 3.19Å; T705-S708 PolarHBondContact O-N 3.45Å; T705-S708 PolarHBondContact O-OG 3.27Å; S708-F710 VanDerWaalsContact C-N 3.27Å
709	T	31.7	Very low	27.3	Very low	57 Å²	57	112.8 Å²	112.8	35%	0.35	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-81.8	-5.7	174.7	-14.9	0	0	0	0	112.6	W707 H711	W707-T709 PolarHBondContact O-N 2.91Å; T709-H711 VanDerWaalsContact C-N 3.33Å
710	F	30.9	Very low	27.4	Very low	32 Å²	32	110.6 Å²	110.6	14%	0.14	56%	0.561	C	S	.	*	G	3₁₀ helix	trans	-83.1	-6.8	179.6	-73.1	-94.5	0	0	0	113.7	Y133 P411 L415 C706 W707 S708	Y133-F710 AromaticContact CD1-CD1 3.91Å; Y133-F710 HydrophobicContact CD1-CD1 3.91Å; Y133-F710 HydrophobicContact CD1-CE1 4.35Å; Y133-F710 HydrophobicContact CD1-CG 4.39Å; P411-F710 HydrophobicContact CB-CE1 4.37Å; L415-F710 HydrophobicContact CB-CZ 4.44Å; L415-F710 HydrophobicContact CD1-CZ 4.2Å; L415-F710 HydrophobicContact CD2-CE2 4.18Å; L415-F710 HydrophobicContact CD2-CZ 3.91Å; L415-F710 HydrophobicContact CG-CZ 4.4Å; C706-F710 VanDerWaalsContact O-CD2 3.27Å; C706-F710 WeakPolarHBondContact O-CD2 3.35Å; C706-F710 WeakPolarHBondContact O-CE2 3.46Å; W707-F710 HydrophobicContact CD2-CE2 4.41Å; W707-F710 HydrophobicContact CE3-CD2 4.07Å; W707-F710 HydrophobicContact CE3-CE2 4.01Å; W707-F710 WeakPolarHBondContact O-CB 3.49Å; W707-F710 WeakPolarHBondContact O-CD2 3.2Å; W707-F710 PolarHBondContact O-N 2.84Å; W707-F710 VanDerWaalsContact O-N 3.15Å; S708-F710 VanDerWaalsContact C-N 3.27Å
711	H	28.2	Very low	27.4	Very low	166 Å²	166	108 Å²	108	77%	0.769	56%	0.561	S	S	*	*	S	Bend	trans	-125.3	2.9	-176.5	-84.3	-62.4	0	0	0	116.3	T709	T709-H711 VanDerWaalsContact C-N 3.33Å
712	D	26	Very low	27.6	Very low	133 Å²	133	108 Å²	108	71%	0.711	56%	0.564	S	S	*	*			trans	-142.7	116.2	172.5	-91	-41.5	0	0	0	111
713	P	25.5	Very low	27.6	Very low	99 Å²	99	111.6 Å²	111.6	64%	0.643	58%	0.576	S	S	*	*			trans	-74.4	160.2	162	34.1	-28.8	0	0	0	108.1
714	V	25.1	Very low	27.5	Very low	120 Å²	120	117.7 Å²	117.7	73%	0.727	60%	0.598	S	S	*	*			trans	91.5	72.6	-180	-161.2	0	0	0	0	114.4	N716	V714-N716 HydrophobicContact CG1-CB 4.3Å
715	V	26.1	Very low	27.5	Very low	96 Å²	96	121.3 Å²	121.3	58%	0.582	61%	0.608	S	S	*	*			trans	-92.5	104.9	137.8	-176.7	0	0	0	0	106.9	W717	V715-W717 HydrophobicContact CB-CZ2 4.49Å; V715-W717 HydrophobicContact CG1-CD2 3.96Å; V715-W717 VanDerWaalsContact CG1-CE2 3.42Å; V715-W717 HydrophobicContact CG1-CG 4.33Å; V715-W717 HydrophobicContact CG1-CH2 4.38Å; V715-W717 HydrophobicContact CG1-CZ2 3.67Å; V715-W717 PolarHBondContact O-N 2.83Å
716	N	25.1	Very low	27.2	Very low	136 Å²	136	126.1 Å²	126.1	73%	0.727	64%	0.639	S	S	*	*			trans	-70.1	94.8	176.8	-125.6	-18.3	0	0	0	108.9	V714 R718	V714-N716 HydrophobicContact CG1-CB 4.3Å; N716-R718 VanDerWaalsContact C-N 3.27Å; N716-R718 PolarHBondContact O-N 2.93Å
717	W	29.6	Very low	26.8	Very low	194 Å²	194	133.2 Å²	133.2	74%	0.735	68%	0.676	S	S	*	*			trans	-82.9	72.5	175.6	-63.6	101	0	0	0	110.7	V715	V715-W717 HydrophobicContact CB-CZ2 4.49Å; V715-W717 HydrophobicContact CG1-CD2 3.96Å; V715-W717 VanDerWaalsContact CG1-CE2 3.42Å; V715-W717 HydrophobicContact CG1-CG 4.33Å; V715-W717 HydrophobicContact CG1-CH2 4.38Å; V715-W717 HydrophobicContact CG1-CZ2 3.67Å; V715-W717 PolarHBondContact O-N 2.83Å
718	R	23.1	Very low	26.7	Very low	215 Å²	215	135.8 Å²	135.8	81%	0.811	70%	0.704	S	S	*	*			trans	-119.1	124.8	149.7	-72.8	-170.6	-171.4	-149.3	3.7	105.9	N716	N716-R718 VanDerWaalsContact C-N 3.27Å; N716-R718 PolarHBondContact O-N 2.93Å
719	N	25.7	Very low	26.5	Very low	172 Å²	172	140.7 Å²	140.7	92%	0.92	73%	0.725	S	S	*	*			trans	120.8	89.8	168	-56.1	-19.6	0	0	0	114.2
720	G	25.6	Very low	26.2	Very low	59 Å²	59	143.8 Å²	143.8	61%	0.608	75%	0.748	S	S	*	*	S	Bend	trans	172.9	123.7	166.6	0	0	0	0	0	107.2	I722	G720-I722 PolarHBondContact O-N 3.12Å
721	P	26.1	Very low	26.1	Very low	134 Å²	134	146.6 Å²	146.6	87%	0.87	78%	0.778	S	S	*	*			trans	-75.8	100.5	-155.1	30.8	-33.4	0	0	0	110.9	R723	P721-R723 PolarHBondContact O-N 2.88Å
722	I	27.6	Very low	25.9	Very low	161 Å²	161	148.8 Å²	148.8	83%	0.826	78%	0.781	S	S	*	*			trans	-76.4	104.4	152.9	-62.1	175.3	0	0	0	104.7	G720 E724	G720-I722 PolarHBondContact O-N 3.12Å; I722-E724 PolarHBondContact O-N 3.32Å
723	R	25.4	Very low	26	Very low	232 Å²	232	154.5 Å²	154.5	88%	0.875	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-48.7	128.3	171.4	-92.7	-175.7	178.3	-168	-0.2	109.4	P721	P721-R723 PolarHBondContact O-N 2.88Å
724	E	24.6	Very low	26	Very low	189 Å²	189	160.1 Å²	160.1	88%	0.883	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-46.4	133	178.3	-65.4	163.5	163.2	0	0	112.2	I722	I722-E724 PolarHBondContact O-N 3.32Å
725	W	26.2	Very low	26.1	Very low	243 Å²	243	159.6 Å²	159.6	92%	0.92	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-63.3	131.6	156.2	-76.3	-1.4	0	0	0	108.4	N727	W725-N727 PolarHBondContact O-N 2.94Å
726	P	24.9	Very low	26.5	Very low	115 Å²	115	160 Å²	160	75%	0.747	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-77.4	121.8	173.4	31	-27.8	0	0	0	107.8
727	N	26.9	Very low	26.6	Very low	162 Å²	162	160.8 Å²	160.8	87%	0.866	81%	0.809	S	S	*	*			trans	-171.8	127	135.5	-91.5	-20	0	0	0	112.1	W725	W725-N727 PolarHBondContact O-N 2.94Å
728	A	27.1	Very low	26.7	Very low	84 Å²	84	160.6 Å²	160.6	69%	0.694	82%	0.816	S	S	*	*			trans	73.3	101	154.3	0	0	0	0	0	119.8
729	D	25.4	Very low	26.9	Very low	155 Å²	155	157.7 Å²	157.7	83%	0.829	82%	0.817	S	S	*	*				76.6	130.1	129.2	-63.2	-28.5	0	0	0	123.1
730	C	25.9	Very low	27.2	Very low	122 Å²	122	154.5 Å²	154.5	82%	0.824	81%	0.808	S	S	*	*			trans	89.3	89.3	150.8	-70.4	0	0	0	0	120.8
731	A	27.8	Very low	27.5	Very low	92 Å²	92	158.1 Å²	158.1	76%	0.76	82%	0.819	S	S	*	*				65	103.8	116.2	0	0	0	0	0	121.5
732	Y	25	Very low	27.9	Very low	212 Å²	212	159 Å²	159	83%	0.831	82%	0.816	S	S	*	*				34.2	115.3	127.5	-90.1	-96	0	0	0	120.6
733	R	27.8	Very low	28.4	Very low	252 Å²	252	155.9 Å²	155.9	95%	0.951	81%	0.806	S	S	*	*				-174.3	152	110	-102.6	-178.1	-149.6	-152.1	6.1	113.2
734	R	25.7	Very low	28.9	Very low	218 Å²	218	154.5 Å²	154.5	82%	0.823	81%	0.807	S	S	*	*			trans	-91.6	148.3	-167.8	-67	177.6	178.8	172.3	-0.7	114.5
735	S	27.4	Very low	29.1	Very low	109 Å²	109	148.5 Å²	148.5	76%	0.762	80%	0.796	S	S	*	*			trans	68.8	168.2	133.1	64.4	0	0	0	0	120.9
736	P	33	Very low	29.4	Very low	105 Å²	105	144.4 Å²	144.4	68%	0.682	79%	0.792	S	S	*	*				-138.3	173.9	-56.2	40.7	-24.3	0	0	0	113.7
737	I	28.4	Very low	29.5	Very low	151 Å²	151	143.8 Å²	143.8	77%	0.774	79%	0.79	S	S	*	*			trans	54.5	123.4	156.3	-59.3	155.8	0	0	0	119
738	E	31.6	Very low	29.6	Very low	190 Å²	190	141.5 Å²	141.5	89%	0.888	79%	0.787	S	S	*	*			trans	-169.2	147.2	130.8	-108.9	171.8	-161.6	0	0	113.7
739	N	27.6	Very low	29.9	Very low	155 Å²	155	142.8 Å²	142.8	83%	0.829	79%	0.788	S	S	*	*			trans	-77.9	153.8	-176.5	-66.5	-43.4	0	0	0	113.2
740	S	31.4	Very low	29.9	Very low	105 Å²	105	143.2 Å²	143.2	73%	0.734	79%	0.789	S	S	*	*			trans	-167.6	110.7	136.3	71.5	0	0	0	0	109.8
741	T	32.5	Very low	30	Very low	135 Å²	135	142.5 Å²	142.5	83%	0.828	79%	0.786	S	S	*	*				90.1	108.4	94.8	54.6	0	0	0	0	115.4
742	D	34.7	Very low	30.1	Very low	153 Å²	153	143.7 Å²	143.7	82%	0.818	79%	0.786	S	S	*	*			trans	-42.5	177.7	148.3	-121.7	-10.5	0	0	0	113.5
743	P	36.7	Very low	30.3	Very low	94 Å²	94	141.4 Å²	141.4	61%	0.61	79%	0.787	S	S	*	*			cis	-153.8	178.4	37.4	35.7	-10.5	0	0	0	117.9
744	F	35.9	Very low	30.2	Very low	204 Å²	204	135.6 Å²	135.6	90%	0.895	78%	0.775	S	S	*	*			trans	147.8	115.7	141.3	-79	-65.3	0	0	0	108.5
745	G	28.8	Very low	30.4	Very low	62 Å²	62	134.6 Å²	134.6	64%	0.639	78%	0.779	S	S	*	*			cis	121.4	114.2	14.9	0	0	0	0	0	110.5
746	N	32	Very low	30.5	Very low	158 Å²	158	140.1 Å²	140.1	85%	0.845	78%	0.783	S	S	*	*			trans	80.9	109.5	155.1	-60.2	-12.2	0	0	0	117.9
747	S	27.9	Very low	30.3	Very low	101 Å²	101	141 Å²	141	71%	0.706	79%	0.789	S	S	*	*				100.1	114.4	70.1	69.3	0	0	0	0	110.6
748	S	28.9	Very low	30.3	Very low	115 Å²	115	145.1 Å²	145.1	80%	0.804	80%	0.795	S	S	*	*				148	166.2	96.8	-84.8	0	0	0	0	110.3
749	P	34.1	Very low	30.2	Very low	110 Å²	110	141 Å²	141	71%	0.714	79%	0.793	S	S	*	*			trans	-113.5	-178.9	-141.7	39.4	-28.6	0	0	0	116.9
750	L	25.5	Very low	30.2	Very low	164 Å²	164	136.5 Å²	136.5	86%	0.859	78%	0.784	S	S	*	*			trans	80.8	125.9	169.7	-56.3	158.7	0	0	0	114.8
751	S	27.8	Very low	30	Very low	108 Å²	108	140.4 Å²	140.4	76%	0.755	79%	0.79	S	S	*	*				-172.8	163	60.9	38.3	0	0	0	0	111.6
752	P	29.4	Very low	29.7	Very low	117 Å²	117	141 Å²	141	76%	0.76	79%	0.788	S	S	*	*			trans	-99	132.8	-171.7	35.9	-26.6	0	0	0	112.4
753	L	29.4	Very low	29.4	Very low	164 Å²	164	143.6 Å²	143.6	86%	0.859	79%	0.786	S	S	*	*			trans	-145.1	93.5	167.8	-86.7	161.2	0	0	0	107.9
754	D	26.2	Very low	28.8	Very low	129 Å²	129	145.3 Å²	145.3	69%	0.69	80%	0.797	S	S	*	*				61.9	95.2	94.3	-96.7	-19.2	0	0	0	114.3
755	H	30	Very low	28.5	Very low	198 Å²	198	141.5 Å²	141.5	92%	0.917	79%	0.785	S	S	*	*			trans	-159.2	70.4	135.6	-80.4	-44.9	0	0	0	108.4
756	R	28.2	Very low	28.4	Very low	224 Å²	224	141.3 Å²	141.3	85%	0.845	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-72.1	128.1	160	-72.6	-171.3	-167.5	-163.7	3.9	107.9	R758	R756-R758 PolarHBondContact O-N 3.27Å
757	P	29.3	Very low	28.3	Very low	123 Å²	123	142.6 Å²	142.6	80%	0.799	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-64.4	121.4	159.4	27.4	-26.4	0	0	0	106.3	A759	P757-A759 PolarHBondContact O-N 3.08Å; P757-A759 VanDerWaalsContact O-N 3.12Å
758	R	28.4	Very low	28.4	Very low	239 Å²	239	146.4 Å²	146.4	90%	0.902	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-49.5	123	170.8	-78.9	-178.9	-178.1	-176.7	0.5	107.6	R756 G760	R756-R758 PolarHBondContact O-N 3.27Å; R758-G760 VanDerWaalsContact C-N 3.26Å; R758-G760 PolarHBondContact O-N 3.43Å
759	A	28.5	Very low	28.7	Very low	102 Å²	102	145.6 Å²	145.6	84%	0.843	77%	0.767	S	S	*	*			trans	-53.6	97	162.8	0	0	0	0	0	107.4	P757 Q761	P757-A759 PolarHBondContact O-N 3.08Å; P757-A759 VanDerWaalsContact O-N 3.12Å; A759-Q761 PolarHBondContact O-N 3.18Å
760	G	28	Very low	28.6	Very low	62 Å²	62	147.3 Å²	147.3	64%	0.639	77%	0.77	S	S	*	*			trans	-64.3	122.8	167.5	0	0	0	0	0	106.4	R758 L762	R758-G760 VanDerWaalsContact C-N 3.26Å; R758-G760 PolarHBondContact O-N 3.43Å; G760-L762 PolarHBondContact O-N 3.08Å
761	Q	27	Very low	29	Very low	186 Å²	186	150.7 Å²	150.7	87%	0.869	77%	0.772	S	S	*	*			trans	-41.5	104.3	173.5	-71.3	170.4	-24.5	0	0	110.1	A759 R763	A759-Q761 PolarHBondContact O-N 3.18Å; Q761-R763 VanDerWaalsContact C-N 3.31Å; Q761-R763 PolarHBondContact O-N 2.76Å
762	L	27.8	Very low	29.2	Very low	149 Å²	149	156.4 Å²	156.4	78%	0.78	78%	0.777	S	S	*	*			trans	-64.1	100.8	160.9	-79	165.1	0	0	0	105.4	G760	G760-L762 PolarHBondContact O-N 3.08Å
763	R	27.2	Very low	29.5	Very low	207 Å²	207	158.9 Å²	158.9	78%	0.781	78%	0.776	S	S	*	*			trans	-57.3	132.7	171.7	-75.1	-168.6	-174.9	-171.3	3.3	107.5	Q761 I765	Q761-R763 VanDerWaalsContact C-N 3.31Å; Q761-R763 PolarHBondContact O-N 2.76Å; R763-I765 HydrophobicContact CB-CD1 4.4Å; R763-I765 HydrophobicContact CB-CG1 4.11Å; R763-I765 PolarHBondContact O-N 3.37Å
764	P	25.6	Very low	29.5	Very low	129 Å²	129	160.2 Å²	160.2	84%	0.838	78%	0.775	S	S	*	*			trans	-66.5	108.4	169.9	27.4	-29.6	0	0	0	107.2
765	I	28.4	Very low	29.6	Very low	125 Å²	125	159.7 Å²	159.7	64%	0.641	78%	0.781	S	S	*	*			trans	-118.8	69.5	170.4	-50.9	178	0	0	0	107.8	R763	R763-I765 HydrophobicContact CB-CD1 4.4Å; R763-I765 HydrophobicContact CB-CG1 4.11Å; R763-I765 PolarHBondContact O-N 3.37Å
766	G	26.7	Very low	29.6	Very low	58 Å²	58	155.3 Å²	155.3	60%	0.598	78%	0.78	S	S	*	*			trans	-78.5	117	139.2	0	0	0	0	0	106.6
767	F	30.2	Very low	29.6	Very low	184 Å²	184	148.6 Å²	148.6	81%	0.807	77%	0.772	S	S	*	*	S	Bend	trans	178.8	-5	142.6	-110.4	-79.2	0	0	0	115.6
768	E	30.9	Very low	29.6	Very low	182 Å²	182	152.4 Å²	152.4	85%	0.85	80%	0.797	S	S	*	*	S	Bend	trans	-103.7	-9.6	-174.2	-73.2	-164.8	158	0	0	117.6
769	R	34.9	Very low	29.7	Very low	97 Å²	97	148.1 Å²	148.1	37%	0.366	79%	0.792	S	S	.	*	S	Bend	trans	-94	-16.6	171.2	-84.8	-176.1	165	166.3	-4.9	115	E377 R771	E377-R769 IonicContact OE1-CZ 3.01Å; E377-R769 IonicContact OE1-NH1 3.42Å; E377-R769 IonicContact OE1-NH2 2.69Å; E377-R769 PolarHBondContact OE1-NH2 3.09Å; E377-R769 IonicContact OE2-CZ 2.73Å; E377-R769 IonicContact OE2-NH1 3.58Å; E377-R769 IonicContact OE2-NH2 3.26Å; E377-R769 PolarHBondContact OE2-NH2 3.39Å; R769-R771 VanDerWaalsContact C-N 3.25Å; R769-R771 PolarHBondContact O-N 3.31Å; R769-R771 VanDerWaalsContact O-N 3.13Å
770	N	32.4	Very low	29.8	Very low	146 Å²	146	150.5 Å²	150.5	78%	0.781	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	15	-176.1	-93.5	-27.5	0	0	0	115.9
771	R	32	Very low	29.9	Very low	236 Å²	236	155.4 Å²	155.4	89%	0.891	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	4.4	173.6	-89.3	-169.1	-172.7	-177.3	4.6	115.5	R769	R769-R771 VanDerWaalsContact C-N 3.25Å; R769-R771 PolarHBondContact O-N 3.31Å; R769-R771 VanDerWaalsContact O-N 3.13Å
772	R	33.2	Very low	30	Very low	227 Å²	227	153.6 Å²	153.6	86%	0.857	79%	0.793	S	S	*	*	S	Bend	trans	-110.3	4.9	-177.5	-76.8	-169.7	-177.8	-176.8	1.9	117.2
773	F	36.3	Very low	30.2	Very low	169 Å²	169	153.9 Å²	153.9	74%	0.741	79%	0.794	S	S	*	*	S	Bend	trans	-127	31.8	176.3	-83.8	-79.7	0	0	0	114.2
774	K	29	Very low	30.4	Very low	192 Å²	192	150.4 Å²	150.4	84%	0.835	80%	0.795	S	S	*	*	S	Bend	trans	-128.4	70.2	171.1	-73.8	-169.9	178	-177	0	111.3
775	S	28.6	Very low	30.7	Very low	118 Å²	118	151.9 Å²	151.9	83%	0.825	79%	0.791	S	S	*	*	S	Bend	trans	166.9	99.4	150.9	55	0	0	0	0	109.9
776	A	29.5	Very low	30.9	Very low	107 Å²	107	154 Å²	154	88%	0.884	80%	0.803	S	S	*	*			trans	161.7	64	146.3	0	0	0	0	0	109.8
777	A	27.4	Very low	31.3	Very low	83 Å²	83	162 Å²	162	69%	0.686	82%	0.82	S	S	*	*			trans	-121.7	155.5	144.7	0	0	0	0	0	105.4
778	P	30.8	Very low	31.3	Very low	203 Å²	203	160 Å²	160	100%	1.318	82%	0.821	S	S	*	*			trans	-54.4	0	134.9	-7.9	25.2	0	0	0	109.2

Retrieved 778 of 778 residues in 197.3 ms (Link to these results)

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