ABCG5_RAT Loading...

ATP-binding cassette sub-family G member 5

ABCG5 and ABCG8 form an obligate heterodimer that mediates Mg(2+)- and ATP-dependent sterol transport across the cell membrane. Plays an essential role in the selective transport of dietary plant sterols and cholesterol in and out of the enterocytes and in the selective sterol excretion by the liver into bile. Required for normal sterol homeostasis. The heterodimer with ABCG8 has ATPase activity.

AlphaFold DB , UniProt , Accession Q99PE7, Species RAT (Rattus norvegicus, Rat), Gene Abcg5, Length 652 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	34.1	Very low	240 Å²	240	149.5 Å²	149.5	100%	1.182	84%	0.836	S	S	*	*				0	105.1	0	-77.9	166.1	141.1	0	0	106.4
2	S	34.9	Very low	34.1	Very low	102 Å²	102	146.1 Å²	146.1	71%	0.713	84%	0.841	S	S	*	*			cis	-159	124.7	8.5	-59.1	0	0	0	0	106
3	E	34.2	Very low	33.8	Very low	196 Å²	196	154.8 Å²	154.8	92%	0.916	85%	0.852	S	S	*	*				84.8	117.5	119.1	-68.2	-167.2	165.4	0	0	117.9
4	L	29.6	Very low	33.5	Very low	164 Å²	164	149 Å²	149	86%	0.859	85%	0.845	S	S	*	*			trans	-69.6	-166	164.2	-83.7	145.2	0	0	0	111.6
5	P	44.3	Very low	33.6	Very low	95 Å²	95	147.6 Å²	147.6	62%	0.617	84%	0.844	S	S	*	*			cis	-130.8	-172.3	-48.6	33.7	-15.6	0	0	0	110.9
6	F	32.7	Very low	33.2	Very low	188 Å²	188	149.3 Å²	149.3	83%	0.825	84%	0.842	S	S	*	*			trans	-174.6	129.6	135.9	-100.8	-60.7	0	0	0	115.3
7	L	34	Very low	33.2	Very low	148 Å²	148	150.4 Å²	150.4	78%	0.775	85%	0.845	S	S	*	*			trans	65.7	120	139.6	-80.3	151.1	0	0	0	123.7
8	S	31	Very low	32.8	Very low	103 Å²	103	150.1 Å²	150.1	72%	0.72	84%	0.841	S	S	*	*			trans	-75.8	166.4	148.5	-40.3	0	0	0	0	111.7
9	P	39.3	Very low	32.7	Very low	129 Å²	129	155.4 Å²	155.4	84%	0.838	85%	0.847	S	S	*	*				-138.5	155.5	126.7	33.7	-18.6	0	0	0	114.7
10	E	32.4	Very low	32.4	Very low	200 Å²	200	151.7 Å²	151.7	94%	0.935	85%	0.847	S	S	*	*			trans	-73.3	154.6	179.5	-63.3	177	127.8	0	0	114.3
11	G	29.2	Very low	32.2	Very low	79 Å²	79	149.8 Å²	149.8	81%	0.814	84%	0.844	S	S	*	*				116.8	97.5	129.8	0	0	0	0	0	118.6
12	A	34.2	Very low	31.8	Very low	109 Å²	109	148 Å²	148	90%	0.901	83%	0.832	S	S	*	*			trans	-154	117.9	142.1	0	0	0	0	0	110.7
13	R	30.5	Very low	31.4	Very low	260 Å²	260	148.2 Å²	148.2	98%	0.981	83%	0.834	S	S	*	*			trans	-87.9	141.1	176.7	-80.9	179	174.9	176.5	-1.1	111.5
14	G	29	Very low	31.2	Very low	73 Å²	73	143.5 Å²	143.5	75%	0.753	82%	0.822	S	S	*	*			trans	127.2	152.4	141.4	0	0	0	0	0	116.2
15	P	35.6	Very low	31	Very low	128 Å²	128	144.3 Å²	144.3	83%	0.831	83%	0.826	S	S	*	*			cis	-129.9	169.1	-24.9	36.6	-19.2	0	0	0	113.9
16	H	27.6	Very low	30.1	Very low	175 Å²	175	147.7 Å²	147.7	81%	0.81	83%	0.834	S	S	*	*			trans	-30	131.2	170.6	-75	-83.7	0	0	0	116.5
17	N	32.2	Very low	29.6	Very low	167 Å²	167	148 Å²	148	89%	0.893	84%	0.838	S	S	*	*			trans	-138.3	112.2	144.6	-128.6	-8.7	0	0	0	110.8
18	N	26.3	Very low	29.2	Very low	146 Å²	146	144.2 Å²	144.2	78%	0.781	84%	0.835	S	S	*	*			trans	-68.2	122	173.2	-91.6	-20.7	0	0	0	110.5
19	R	31.7	Very low	28.8	Very low	250 Å²	250	143.9 Å²	143.9	94%	0.943	83%	0.832	S	S	*	*			trans	-174.7	101.5	151.7	-99.2	167.4	-168.4	-163.7	3.4	104.1
20	G	25.3	Very low	28.2	Very low	82 Å²	82	145 Å²	145	85%	0.845	84%	0.836	S	S	*	*				96.7	65.6	59.6	0	0	0	0	0	109.4
21	S	29.7	Very low	27.8	Very low	112 Å²	112	141.3 Å²	141.3	78%	0.783	83%	0.828	S	S	*	*			trans	-166.2	91.5	153.8	58.2	0	0	0	0	108.9	S23	S21-S23 PolarHBondContact O-N 2.95Å
22	Q	24.4	Very low	27.8	Very low	203 Å²	203	140.8 Å²	140.8	95%	0.949	82%	0.822	S	S	*	*			trans	-62.5	120.1	160.1	-75.2	170.7	-30	0	0	108.2
23	S	27.3	Very low	28	Very low	106 Å²	106	141.3 Å²	141.3	74%	0.741	82%	0.819	S	S	*	*			trans	-144.2	98	148.7	62	0	0	0	0	107	S21 L25	S21-S23 PolarHBondContact O-N 2.95Å; S23-L25 PolarHBondContact O-N 3.4Å
24	S	28.1	Very low	29.2	Very low	96 Å²	96	135.5 Å²	135.5	67%	0.671	80%	0.803	S	S	*	*			trans	-45.4	122.8	165.1	32.6	0	0	0	0	110.6	E26	S24-E26 PolarHBondContact O-N 3.38Å
25	L	25.3	Very low	30.9	Very low	181 Å²	181	134.6 Å²	134.6	95%	0.948	79%	0.789	S	S	*	*			trans	-67.9	80.9	155.5	-82	142.1	0	0	0	106.8	S23	S23-L25 PolarHBondContact O-N 3.4Å
26	E	26.1	Very low	32.9	Very low	166 Å²	166	136.2 Å²	136.2	78%	0.776	78%	0.778	S	S	*	*			trans	-73	125.8	162.7	-83.7	-177.2	157.2	0	0	108.4	S24 G28	S24-E26 PolarHBondContact O-N 3.38Å; E26-G28 PolarHBondContact O-N 3.06Å
27	E	23	Very low	35.7	Very low	196 Å²	196	128.8 Å²	128.8	92%	0.916	74%	0.744	S	S	*	*			trans	-50.4	104.1	166.8	-69.3	172.1	143.7	0	0	109.3	S29	E27-S29 PolarHBondContact O-N 2.99Å
28	G	25	Very low	38.5	Very low	68 Å²	68	121 Å²	121	70%	0.701	70%	0.702	S	S	*	*			trans	-65.7	105.8	178.4	0	0	0	0	0	110.9	E26 V30	E26-G28 PolarHBondContact O-N 3.06Å; G28-V30 PolarHBondContact O-N 2.94Å
29	S	22.6	Very low	41.7	Very low	96 Å²	96	114 Å²	114	67%	0.671	67%	0.665	S	S	*	*			trans	-45.7	118.2	163.9	53.8	0	0	0	0	111.9	E27 T31	E27-S29 PolarHBondContact O-N 2.99Å; S29-T31 PolarHBondContact O-N 3.27Å
30	V	26.2	Very low	44.6	Very low	151 Å²	151	102.2 Å²	102.2	92%	0.915	62%	0.621	S	S	*	*			trans	-73.5	76.8	166	-178.2	0	0	0	0	108.2	G28	G28-V30 PolarHBondContact O-N 2.94Å
31	T	24.8	Very low	47.8	Very low	124 Å²	124	98.3 Å²	98.3	76%	0.761	58%	0.58	S	S	*	*			trans	-140.8	87.9	174.9	40.8	0	0	0	0	110.5	S29	S29-T31 PolarHBondContact O-N 3.27Å
32	G	28.5	Very low	50.9	Low	67 Å²	67	94.3 Å²	94.3	69%	0.691	55%	0.55	S	S	*	*			trans	-172.6	95.1	166.3	0	0	0	0	0	109	E34	G32-E34 PolarHBondContact O-N 3.31Å
33	S	38.9	Very low	54.1	Low	121 Å²	121	88.4 Å²	88.4	85%	0.846	53%	0.525	S	S	*	.			trans	-59.7	106.8	171.1	-179.7	0	0	0	0	107.6	A35	S33-A35 PolarHBondContact O-N 2.96Å
34	E	56.4	Low	57.2	Low	137 Å²	137	83.4 Å²	83.4	64%	0.64	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-52.3	131.3	176.5	-78.8	-168.1	161.8	0	0	109.6	G32 R36 N243	G32-E34 PolarHBondContact O-N 3.31Å; E34-R36 PolarHBondContact O-N 3.45Å; E34-R36 VanDerWaalsContact O-N 3.13Å; E34-N243 PolarHBondContact OE2-ND2 2.97Å
35	A	63.3	Low	60.3	Low	54 Å²	54	78.9 Å²	78.9	45%	0.446	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-59.2	118.2	-177.6	0	0	0	0	0	110.3	S33 H37 P353	S33-A35 PolarHBondContact O-N 2.96Å; A35-H37 PolarHBondContact O-N 3.3Å; A35-P353 HydrophobicContact CB-CB 3.92Å; A35-P353 HydrophobicContact CB-CG 3.78Å
36	R	77.9	Confident	63.5	Low	163 Å²	163	70.6 Å²	70.6	62%	0.615	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-71	126.2	177.3	-68.1	-175.2	179	178.1	-0.5	109.7	E34 E78	E34-R36 PolarHBondContact O-N 3.45Å; E34-R36 VanDerWaalsContact O-N 3.13Å; R36-E78 IonicContact NH1-OE2 3.95Å
37	H	87.3	Confident	66.5	Low	19 Å²	19	63.5 Å²	63.5	9%	0.088	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-73.5	153.6	169.4	-59	-65.4	0	0	0	110.7	A35 E78 S79 N117 I245	A35-H37 PolarHBondContact O-N 3.3Å; H37-E78 CarbonylContact O-C 3.55Å; H37-E78 WeakPolarHBondContact O-CA 3.49Å; H37-S79 PolarHBondContact O-N 3.13Å; H37-N117 WeakPolarHBondContact CA-OD1 3.26Å; H37-N117 WeakPolarHBondContact CB-OD1 3.47Å; H37-N117 PolarHBondContact ND1-ND2 3.4Å; H37-I245 HydrophobicContact CB-CD1 4.28Å
38	S	90.6	Very high	69.4	Low	3 Å²	3	55.5 Å²	55.5	2%	0.021	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	145.3	175.9	61.3	0	0	0	0	110.9	V116 N117 T346	S38-V116 WeakPolarHBondContact O-CA 3.38Å; S38-N117 PolarHBondContact N-OD1 2.87Å; S38-N117 PolarHBondContact O-N 3.24Å; S38-N117 PolarHBondContact O-OD1 3.43Å; S38-T346 WeakPolarHBondContact OG-CG2 3.16Å
39	L	92.7	Very high	71.8	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	117.6	172.7	171.9	72.3	0	0	0	108	Y76 I77 I100 V114 F115 V116 V214 M216 I245 I247	L39-Y76 WeakPolarHBondContact O-CA 3.17Å; L39-I77 HydrophobicContact CB-CG2 3.76Å; L39-I77 HydrophobicContact CD2-CG2 3.96Å; L39-I77 HydrophobicContact CG-CG2 4.21Å; L39-I77 PolarHBondContact N-O 2.99Å; L39-I77 PolarHBondContact O-N 3.14Å; L39-I100 HydrophobicContact CD1-CG2 4.33Å; L39-I100 HydrophobicContact CD2-CG2 4.39Å; L39-V114 HydrophobicContact CD1-CG1 3.77Å; L39-F115 CarbonylContact C-O 3.56Å; L39-F115 WeakPolarHBondContact CA-O 3.35Å; L39-V116 HydrophobicContact CD1-CG2 3.59Å; L39-V214 HydrophobicContact CD2-CG1 4.03Å; L39-M216 HydrophobicContact CD2-CE 4.18Å; L39-I245 HydrophobicContact CB-CD1 3.85Å; L39-I245 HydrophobicContact CD2-CG2 4.3Å; L39-I247 HydrophobicContact CD2-CD1 3.47Å; L39-I247 VanDerWaalsContact CD2-CD1 3.47Å
40	G	92.6	Very high	74	Confident	1 Å²	1	54 Å²	54	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	141.1	175.9	0	0	0	0	0	110.5	L75 F115	G40-L75 CarbonylContact C-O 3.51Å; G40-L75 WeakPolarHBondContact CA-O 3.03Å; G40-F115 PolarHBondContact N-O 2.86Å; G40-F115 PolarHBondContact O-N 3.14Å
41	V	93.8	Very high	75.9	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.2	176.5	175	0	0	0	0	106.4	V44 S74 L75 I100 V114 I343	V41-V44 HydrophobicContact CG1-CB 3.84Å; V41-V44 HydrophobicContact CG1-CG2 3.37Å; V41-S74 CarbonylContact O-C 3.54Å; V41-S74 WeakPolarHBondContact O-CA 3.4Å; V41-L75 HydrophobicContact CB-CD1 3.66Å; V41-L75 HydrophobicContact CB-CG 3.75Å; V41-L75 HydrophobicContact CG1-CG 4.28Å; V41-L75 HydrophobicContact CG2-CD1 3.39Å; V41-L75 HydrophobicContact CG2-CG 4.03Å; V41-L75 PolarHBondContact N-O 3.21Å; V41-L75 PolarHBondContact O-N 3.29Å; V41-I100 HydrophobicContact CG1-CG1 4.49Å; V41-I100 HydrophobicContact CG2-CD1 4.08Å; V41-I100 HydrophobicContact CG2-CG1 3.99Å; V41-I100 HydrophobicContact CG2-CG2 3.84Å; V41-V114 HydrophobicContact CG2-CG1 4.15Å; V41-V114 HydrophobicContact CG2-CG2 4.29Å; V41-I343 WeakPolarHBondContact O-CD1 3.31Å
42	L	93.5	Very high	77.5	Confident	28 Å²	28	52.7 Å²	52.7	15%	0.147	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	121.6	-175.4	-173.8	70.4	0	0	0	110.8	V44 G112 E113 F115 L340 I343	L42-V44 PolarHBondContact O-N 3.26Å; L42-V44 VanDerWaalsContact O-N 3.16Å; L42-G112 WeakPolarHBondContact O-CA 3.38Å; L42-E113 PolarHBondContact N-O 2.87Å; L42-E113 PolarHBondContact O-N 2.94Å; L42-F115 HydrophobicContact CB-CE2 4.22Å; L42-L340 HydrophobicContact CD1-CD2 3.59Å; L42-I343 HydrophobicContact CB-CG2 4.46Å
43	N	93	Very high	78.7	Confident	79 Å²	79	51.3 Å²	51.3	42%	0.422	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.5	42	172.5	-61.5	-22.2	0	0	0	113.3	S45 V73 S74 G112	N43-S45 PolarHBondContact O-N 2.89Å; N43-V73 PolarHBondContact N-O 3.49Å; N43-S74 PolarHBondContact N-OG 2.77Å; N43-S74 PolarHBondContact OD1-OG 3.08Å; N43-G112 WeakPolarHBondContact O-CA 3.35Å
44	V	92	Very high	79.5	Confident	2 Å²	2	48 Å²	48	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	120.7	-179.1	168.8	0	0	0	0	110.5	V41 L42 D72 V73 A99 L110 E111 V114	V41-V44 HydrophobicContact CG1-CB 3.84Å; V41-V44 HydrophobicContact CG1-CG2 3.37Å; L42-V44 PolarHBondContact O-N 3.26Å; L42-V44 VanDerWaalsContact O-N 3.16Å; V44-D72 PolarHBondContact O-N 3.41Å; V44-V73 PolarHBondContact N-O 3.48Å; V44-V73 PolarHBondContact O-N 3.15Å; V44-A99 HydrophobicContact CG1-CB 4.16Å; V44-L110 HydrophobicContact CG1-CD1 3.83Å; V44-E111 WeakPolarHBondContact CA-O 3.47Å; V44-V114 HydrophobicContact CG2-CG2 4.26Å
45	S	93.1	Very high	79.9	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.3	-176.6	-99.8	0	0	0	0	108.6	N43 K68 L70 D72 L110 E111	N43-S45 PolarHBondContact O-N 2.89Å; S45-K68 WeakPolarHBondContact OG-CE 3.22Å; S45-K68 PolarHBondContact OG-NZ 3.34Å; S45-L70 WeakPolarHBondContact CA-O 3.28Å; S45-D72 PolarHBondContact OG-N 3.43Å; S45-D72 PolarHBondContact OG-OD1 2.97Å; S45-L110 WeakPolarHBondContact O-CA 3.46Å; S45-E111 PolarHBondContact N-O 3.37Å; S45-E111 PolarHBondContact O-N 3.4Å
46	F	91.4	Very high	80.2	Confident	7 Å²	7	57.5 Å²	57.5	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	126.8	180	-177.6	-115.3	0	0	0	111.5	V48 K68 I69 L70 T95 L104 T109 L110	F46-V48 HydrophobicContact CD1-CG2 4.09Å; F46-V48 HydrophobicContact CE1-CG2 3.22Å; F46-V48 HydrophobicContact CZ-CG2 3.67Å; F46-K68 CarbonylContact O-C 3.57Å; F46-I69 HydrophobicContact CD1-CB 4.33Å; F46-I69 HydrophobicContact CE1-CD1 4.47Å; F46-I69 PolarHBondContact O-N 3.12Å; F46-L70 HydrophobicContact CB-CB 3.99Å; F46-L70 HydrophobicContact CB-CD1 4.01Å; F46-L70 HydrophobicContact CB-CG 4.33Å; F46-L70 PolarHBondContact N-O 3.33Å; F46-L70 PolarHBondContact O-N 3.06Å; F46-L70 VanDerWaalsContact O-N 3.12Å; F46-T95 HydrophobicContact CD1-CG2 3.7Å; F46-T95 HydrophobicContact CE1-CG2 4.18Å; F46-L104 HydrophobicContact CB-CD1 4.29Å; F46-L104 HydrophobicContact CD1-CD1 4.28Å; F46-L104 HydrophobicContact CD1-CD2 3.74Å; F46-L104 HydrophobicContact CD2-CD1 3.56Å; F46-L104 HydrophobicContact CD2-CD2 4.15Å; F46-L104 HydrophobicContact CD2-CG 4.42Å; F46-L104 HydrophobicContact CE1-CD2 3.42Å; F46-L104 VanDerWaalsContact CE1-CD2 3.42Å; F46-L104 HydrophobicContact CE2-CB 4.4Å; F46-L104 HydrophobicContact CE2-CD1 3.89Å; F46-L104 HydrophobicContact CE2-CD2 3.88Å; F46-L104 HydrophobicContact CE2-CG 4.31Å; F46-L104 HydrophobicContact CG-CD1 3.78Å; F46-L104 HydrophobicContact CG-CD2 4.09Å; F46-L104 HydrophobicContact CZ-CD1 4.38Å; F46-L104 HydrophobicContact CZ-CD2 3.53Å; F46-L104 HydrophobicContact CZ-CG 4.42Å; F46-T109 WeakPolarHBondContact CA-O 3.4Å; F46-T109 VanDerWaalsContact CD2-O 3.31Å; F46-T109 WeakPolarHBondContact CD2-O 3.43Å; F46-L110 HydrophobicContact CB-CD1 4.46Å; F46-L110 HydrophobicContact CD2-CB 4.39Å
47	S	89.2	Confident	79.7	Confident	17 Å²	17	53.4 Å²	53.4	12%	0.119	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.1	177.6	-61.8	0	0	0	0	110.6	R67 K68 G108 T109	S47-R67 WeakPolarHBondContact CA-O 3.41Å; S47-K68 WeakPolarHBondContact OG-CG 3.19Å; S47-G108 CarbonylContact O-C 3.27Å; S47-G108 WeakPolarHBondContact O-CA 3.22Å; S47-T109 PolarHBondContact N-O 2.97Å; S47-T109 PolarHBondContact O-N 2.72Å
48	V	84.6	Confident	78.6	Confident	28 Å²	28	58.8 Å²	58.8	17%	0.17	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	128.8	173.6	176.1	0	0	0	0	109.2	F46 D66 R67 I69	F46-V48 HydrophobicContact CD1-CG2 4.09Å; F46-V48 HydrophobicContact CE1-CG2 3.22Å; F46-V48 HydrophobicContact CZ-CG2 3.67Å; V48-D66 WeakPolarHBondContact O-CA 3.17Å; V48-R67 PolarHBondContact N-O 3.06Å; V48-R67 PolarHBondContact O-N 2.57Å; V48-I69 HydrophobicContact CB-CD1 4.03Å; V48-I69 HydrophobicContact CG2-CD1 3.32Å; V48-I69 HydrophobicContact CG2-CG1 4.15Å
49	S	76.3	Confident	77.4	Confident	26 Å²	26	67.1 Å²	67.1	18%	0.182	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	112.5	173.7	71.1	0	0	0	0	110.2	K64 D66 T107	S49-K64 VanDerWaalsContact CB-CE 3.43Å; S49-K64 VanDerWaalsContact OG-CE 3.26Å; S49-K64 WeakPolarHBondContact OG-CE 3.4Å; S49-K64 PolarHBondContact OG-NZ 3.45Å; S49-D66 VanDerWaalsContact CA-OD1 3.31Å; S49-D66 WeakPolarHBondContact CA-OD1 3.43Å; S49-D66 WeakPolarHBondContact CB-OD1 3.24Å; S49-T107 PolarHBondContact N-O 3.14Å; S49-T107 PolarHBondContact OG-O 3.05Å
50	N	68.6	Low	75.8	Confident	107 Å²	107	68.3 Å²	68.3	57%	0.572	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	138.8	174.9	-98.9	-25.8	0	0	0	110.6	W65	N50-W65 PolarHBondContact N-O 3.06Å; N50-W65 PolarHBondContact O-N 3.31Å
51	R	65	Low	74	Confident	172 Å²	172	69.7 Å²	69.7	65%	0.649	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	123.6	170.5	-70.1	180	-178.3	-164.8	2.3	108.4	C61 K64	R51-C61 VanDerWaalsContact CD-O 3.31Å; R51-C61 WeakPolarHBondContact CD-O 3.37Å; R51-K64 HydrophobicContact CG-CG 4.49Å
52	V	58.5	Low	72.2	Confident	76 Å²	76	77 Å²	77	46%	0.461	38%	0.377	S	S	.	.			trans	-95.1	105.3	-177.1	-174.3	0	0	0	0	109.2	S60 Q63 W65	V52-S60 CarbonylContact O-C 3.58Å; V52-S60 VanDerWaalsContact O-C 3.27Å; V52-Q63 PolarHBondContact N-O 2.7Å; V52-Q63 VanDerWaalsContact N-O 3.1Å; V52-W65 HydrophobicContact CG2-CB 4.26Å; V52-W65 HydrophobicContact CG2-CG 4.23Å
53	G	53.5	Low	70.5	Confident	37 Å²	37	81.6 Å²	81.6	38%	0.381	40%	0.398	S	S	.	.	S	Bend	trans	149.7	158.3	169.4	0	0	0	0	0	113.8
54	P	57.2	Low	69.1	Low	52 Å²	52	83.3 Å²	83.3	34%	0.338	40%	0.402	S	S	.	.			trans	-63.3	141.7	174	25.6	-31.7	0	0	0	110.6	W56 N57	P54-W56 HydrophobicContact CB-CD2 3.58Å; P54-W56 HydrophobicContact CB-CE3 3.71Å; P54-W56 HydrophobicContact CB-CG 4.38Å; P54-W56 HydrophobicContact CB-CH2 3.39Å; P54-W56 HydrophobicContact CB-CZ2 3.25Å; P54-W56 HydrophobicContact CB-CZ3 3.62Å; P54-W56 HydrophobicContact CG-CD2 4.29Å; P54-W56 HydrophobicContact CG-CH2 4.4Å; P54-W56 HydrophobicContact CG-CZ2 3.8Å; P54-W56 PolarHBondContact O-N 2.8Å; P54-N57 HydrophobicContact CG-CB 4.25Å; P54-N57 PolarHBondContact O-N 3.33Å
55	W	64.3	Low	68.1	Low	213 Å²	213	92 Å²	92	81%	0.807	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-20.5	-173.6	63.1	-93.4	0	0	0	114.2
56	W	70	Confident	67.3	Low	177 Å²	177	97.1 Å²	97.1	67%	0.67	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-11.8	179	59.7	86.1	0	0	0	114.7	P54	P54-W56 HydrophobicContact CB-CD2 3.58Å; P54-W56 HydrophobicContact CB-CE3 3.71Å; P54-W56 HydrophobicContact CB-CG 4.38Å; P54-W56 HydrophobicContact CB-CH2 3.39Å; P54-W56 HydrophobicContact CB-CZ2 3.25Å; P54-W56 HydrophobicContact CB-CZ3 3.62Å; P54-W56 HydrophobicContact CG-CD2 4.29Å; P54-W56 HydrophobicContact CG-CH2 4.4Å; P54-W56 HydrophobicContact CG-CZ2 3.8Å; P54-W56 PolarHBondContact O-N 2.8Å
57	N	66.4	Low	66.9	Low	77 Å²	77	105.5 Å²	105.5	41%	0.412	49%	0.493	S	S	.	.			trans	-103.5	96.7	178.8	-169.1	-10.3	0	0	0	110.3	P54 K59 S60 C61	P54-N57 HydrophobicContact CG-CB 4.25Å; P54-N57 PolarHBondContact O-N 3.33Å; N57-K59 PolarHBondContact O-N 3.44Å; N57-S60 WeakPolarHBondContact CB-OG 3.45Å; N57-S60 PolarHBondContact O-N 2.83Å; N57-S60 PolarHBondContact O-OG 2.79Å; N57-S60 VanDerWaalsContact O-OG 3.11Å; N57-C61 WeakPolarHBondContact O-CB 3.45Å; N57-C61 PolarHBondContact O-N 3.05Å
58	I	65.5	Low	66.8	Low	132 Å²	132	108.3 Å²	108.3	68%	0.677	50%	0.503	S	S	*	.	H	α-helix	trans	-56.4	-36.7	-173.2	-64.4	164.9	0	0	0	112	Q62	I58-Q62 PolarHBondContact O-N 2.71Å
59	K	64.2	Low	67.1	Low	179 Å²	179	109.3 Å²	109.3	78%	0.778	51%	0.507	S	S	*	.	H	α-helix	trans	-71	-41.1	-178.6	-73.8	-172.7	177.4	-177	0	112.8	N57	N57-K59 PolarHBondContact O-N 3.44Å
60	S	58.7	Low	67.8	Low	24 Å²	24	108.1 Å²	108.1	17%	0.168	50%	0.498	C	S	.	.	H	α-helix	trans	-75.3	-35.8	176.4	59.8	0	0	0	0	111.4	V52 N57 Q62 Q63	V52-S60 CarbonylContact O-C 3.58Å; V52-S60 VanDerWaalsContact O-C 3.27Å; N57-S60 WeakPolarHBondContact CB-OG 3.45Å; N57-S60 PolarHBondContact O-N 2.83Å; N57-S60 PolarHBondContact O-OG 2.79Å; N57-S60 VanDerWaalsContact O-OG 3.11Å; S60-Q62 PolarHBondContact O-N 3.4Å; S60-Q63 PolarHBondContact O-N 2.97Å
61	C	54.7	Low	69	Low	30 Å²	30	105.4 Å²	105.4	20%	0.203	48%	0.481	C	S	.	.	H	α-helix	trans	-61.2	-18.4	177.3	-150.2	0	0	0	0	113.6	R51 N57	R51-C61 VanDerWaalsContact CD-O 3.31Å; R51-C61 WeakPolarHBondContact CD-O 3.37Å; N57-C61 WeakPolarHBondContact O-CB 3.45Å; N57-C61 PolarHBondContact O-N 3.05Å
62	Q	57.5	Low	70.3	Confident	154 Å²	154	100.4 Å²	100.4	72%	0.72	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-19.8	173.4	-76.5	-178.1	-19.5	0	0	114.3	I58 S60 K64	I58-Q62 PolarHBondContact O-N 2.71Å; S60-Q62 PolarHBondContact O-N 3.4Å; Q62-K64 PolarHBondContact O-N 3.28Å
63	Q	57.2	Low	72.1	Confident	124 Å²	124	96.8 Å²	96.8	58%	0.579	45%	0.446	S	S	*	.			trans	-72.3	102.2	174.8	-98.5	-179.3	-20.7	0	0	109.6	V52 S60	V52-Q63 PolarHBondContact N-O 2.7Å; V52-Q63 VanDerWaalsContact N-O 3.1Å; S60-Q63 PolarHBondContact O-N 2.97Å
64	K	64.3	Low	74	Confident	116 Å²	116	95.6 Å²	95.6	50%	0.504	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.7	174.5	-139.8	-175.1	-178.8	-134.2	0	108	S49 R51 Q62	S49-K64 VanDerWaalsContact CB-CE 3.43Å; S49-K64 VanDerWaalsContact OG-CE 3.26Å; S49-K64 WeakPolarHBondContact OG-CE 3.4Å; S49-K64 PolarHBondContact OG-NZ 3.45Å; R51-K64 HydrophobicContact CG-CG 4.49Å; Q62-K64 PolarHBondContact O-N 3.28Å
65	W	69.2	Low	75.9	Confident	185 Å²	185	93.2 Å²	93.2	70%	0.701	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.9	170.6	-90.5	39	0	0	0	108.1	N50 V52	N50-W65 PolarHBondContact N-O 3.06Å; N50-W65 PolarHBondContact O-N 3.31Å; V52-W65 HydrophobicContact CG2-CB 4.26Å; V52-W65 HydrophobicContact CG2-CG 4.23Å
66	D	77.4	Confident	77.3	Confident	107 Å²	107	83.6 Å²	83.6	57%	0.572	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	117.4	176	-67.7	-14.2	0	0	0	108.2	V48 S49	V48-D66 WeakPolarHBondContact O-CA 3.17Å; S49-D66 VanDerWaalsContact CA-OD1 3.31Å; S49-D66 WeakPolarHBondContact CA-OD1 3.43Å; S49-D66 WeakPolarHBondContact CB-OD1 3.24Å
67	R	83.3	Confident	78.5	Confident	183 Å²	183	75.2 Å²	75.2	69%	0.691	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	115.4	175.8	-176.8	177.7	177.7	179.1	-0.5	108.5	S47 V48 I69	S47-R67 WeakPolarHBondContact CA-O 3.41Å; V48-R67 PolarHBondContact N-O 3.06Å; V48-R67 PolarHBondContact O-N 2.57Å; R67-I69 PolarHBondContact O-N 2.97Å
68	K	87	Confident	79.8	Confident	76 Å²	76	74 Å²	74	33%	0.33	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	114.7	172.7	-159.9	159.4	-177.2	175.6	0	108.7	S45 F46 S47 L70 K71 D72 E111	S45-K68 WeakPolarHBondContact OG-CE 3.22Å; S45-K68 PolarHBondContact OG-NZ 3.34Å; F46-K68 CarbonylContact O-C 3.57Å; S47-K68 WeakPolarHBondContact OG-CG 3.19Å; K68-L70 WeakPolarHBondContact CE-O 3.44Å; K68-L70 VanDerWaalsContact CG-O 3.3Å; K68-L70 WeakPolarHBondContact CG-O 3.45Å; K68-K71 HydrophobicContact CD-CG 4.01Å; K68-K71 HydrophobicContact CG-CG 3.86Å; K68-D72 IonicContact NZ-OD1 2.72Å; K68-E111 IonicContact NZ-OE2 2.72Å
69	I	89.7	Confident	81.1	Confident	49 Å²	49	68 Å²	68	25%	0.251	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-34.3	-178.2	-57	-173.6	0	0	0	111.1	F46 V48 R67 T95 G270	F46-I69 HydrophobicContact CD1-CB 4.33Å; F46-I69 HydrophobicContact CE1-CD1 4.47Å; F46-I69 PolarHBondContact O-N 3.12Å; V48-I69 HydrophobicContact CB-CD1 4.03Å; V48-I69 HydrophobicContact CG2-CD1 3.32Å; V48-I69 HydrophobicContact CG2-CG1 4.15Å; R67-I69 PolarHBondContact O-N 2.97Å; I69-T95 HydrophobicContact CG2-CG2 3.93Å; I69-G270 WeakPolarHBondContact O-CA 3.19Å
70	L	92.6	Very high	82.4	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	141.5	173.8	-68.4	167.1	0	0	0	109.4	S45 F46 K68 V73 T95 L96 A99 L267	S45-L70 WeakPolarHBondContact CA-O 3.28Å; F46-L70 HydrophobicContact CB-CB 3.99Å; F46-L70 HydrophobicContact CB-CD1 4.01Å; F46-L70 HydrophobicContact CB-CG 4.33Å; F46-L70 PolarHBondContact N-O 3.33Å; F46-L70 PolarHBondContact O-N 3.06Å; F46-L70 VanDerWaalsContact O-N 3.12Å; K68-L70 WeakPolarHBondContact CE-O 3.44Å; K68-L70 VanDerWaalsContact CG-O 3.3Å; K68-L70 WeakPolarHBondContact CG-O 3.45Å; L70-V73 HydrophobicContact CD2-CG2 4.42Å; L70-T95 HydrophobicContact CD1-CG2 3.89Å; L70-T95 HydrophobicContact CG-CG2 4.24Å; L70-L96 HydrophobicContact CD1-CB 4.17Å; L70-L96 HydrophobicContact CD1-CD1 4.31Å; L70-L96 HydrophobicContact CD2-CB 3.98Å; L70-A99 HydrophobicContact CD1-CB 4.27Å; L70-L267 HydrophobicContact CD2-CD2 4Å
71	K	93.6	Very high	84.1	Confident	50 Å²	50	62 Å²	62	22%	0.217	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	103.5	-174.5	-64.4	170.3	-177.5	168.8	0	110.8	K68 V73 G270 E271	K68-K71 HydrophobicContact CD-CG 4.01Å; K68-K71 HydrophobicContact CG-CG 3.86Å; K71-V73 VanDerWaalsContact C-N 3.34Å; K71-V73 PolarHBondContact O-N 3.42Å; K71-G270 PolarHBondContact N-O 3.11Å; K71-E271 HydrophobicContact CB-CG 3.93Å; K71-E271 HydrophobicContact CD-CG 3.56Å; K71-E271 WeakPolarHBondContact CD-OE1 3.23Å; K71-E271 WeakPolarHBondContact CE-OE1 3.27Å; K71-E271 HydrophobicContact CG-CG 4.36Å; K71-E271 IonicContact NZ-OE1 2.77Å; K71-E271 PolarHBondContact NZ-OE1 3.43Å
72	D	92.5	Very high	86.1	Confident	67 Å²	67	60.7 Å²	60.7	36%	0.358	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47.7	51.6	167.4	-49.6	-38.5	0	0	0	113.3	V44 S45 K68	V44-D72 PolarHBondContact O-N 3.41Å; S45-D72 PolarHBondContact OG-N 3.43Å; S45-D72 PolarHBondContact OG-OD1 2.97Å; K68-D72 IonicContact NZ-OD1 2.72Å
73	V	94.8	Very high	87.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	128.1	-179.1	179.7	0	0	0	0	109.8	N43 V44 L70 K71 L75 L96 L267 L272	N43-V73 PolarHBondContact N-O 3.49Å; V44-V73 PolarHBondContact N-O 3.48Å; V44-V73 PolarHBondContact O-N 3.15Å; L70-V73 HydrophobicContact CD2-CG2 4.42Å; K71-V73 VanDerWaalsContact C-N 3.34Å; K71-V73 PolarHBondContact O-N 3.42Å; V73-L75 HydrophobicContact CG1-CD2 4.05Å; V73-L96 HydrophobicContact CB-CD1 4.24Å; V73-L96 HydrophobicContact CG1-CD1 3.91Å; V73-L96 HydrophobicContact CG1-CD2 4Å; V73-L267 HydrophobicContact CG2-CD1 4.11Å; V73-L272 HydrophobicContact CG1-CB 4.28Å; V73-L272 HydrophobicContact CG1-CD2 4.34Å; V73-L272 HydrophobicContact CG2-CB 4.49Å
74	S	95.3	Very high	89.7	Confident	13 Å²	13	47.4 Å²	47.4	9%	0.091	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.2	176.5	-65.1	0	0	0	0	111	V41 N43 L272	V41-S74 CarbonylContact O-C 3.54Å; V41-S74 WeakPolarHBondContact O-CA 3.4Å; N43-S74 PolarHBondContact N-OG 2.77Å; N43-S74 PolarHBondContact OD1-OG 3.08Å; S74-L272 WeakPolarHBondContact O-CD2 3.46Å
75	L	95.3	Very high	91.2	Very high	1 Å²	1	42 Å²	42	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	153	-177.5	52.5	85.6	0	0	0	112.2	G40 V41 V73 M83 L96 I100	G40-L75 CarbonylContact C-O 3.51Å; G40-L75 WeakPolarHBondContact CA-O 3.03Å; V41-L75 HydrophobicContact CB-CD1 3.66Å; V41-L75 HydrophobicContact CB-CG 3.75Å; V41-L75 HydrophobicContact CG1-CG 4.28Å; V41-L75 HydrophobicContact CG2-CD1 3.39Å; V41-L75 HydrophobicContact CG2-CG 4.03Å; V41-L75 PolarHBondContact N-O 3.21Å; V41-L75 PolarHBondContact O-N 3.29Å; V73-L75 HydrophobicContact CG1-CD2 4.05Å; L75-M83 HydrophobicContact CB-CE 4.42Å; L75-M83 HydrophobicContact CD1-SD 4.4Å; L75-L96 HydrophobicContact CD2-CD2 4.12Å; L75-I100 HydrophobicContact CD1-CD1 4.29Å; L75-I100 HydrophobicContact CD2-CD1 4.22Å
76	Y	95	Very high	92.4	Very high	12 Å²	12	33.3 Å²	33.3	5%	0.047	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	131.1	-177.2	-179.6	-101.3	0	0	0	111.3	L39 E78 K263 N342 I343 T346	L39-Y76 WeakPolarHBondContact O-CA 3.17Å; Y76-E78 HydrophobicContact CE1-CG 3.6Å; Y76-E78 WeakPolarHBondContact CE1-OE1 3.47Å; Y76-E78 WeakPolarHBondContact OH-CG 3.23Å; Y76-E78 PolarHBondContact OH-OE1 3.29Å; Y76-K263 WeakPolarHBondContact O-CD 3.1Å; Y76-K263 PolarHBondContact O-NZ 3.38Å; Y76-N342 HydrophobicContact CD1-CB 3.78Å; Y76-N342 HydrophobicContact CD2-CB 4.33Å; Y76-N342 HydrophobicContact CE1-CB 3.87Å; Y76-N342 HydrophobicContact CE2-CB 4.4Å; Y76-N342 HydrophobicContact CG-CB 4.03Å; Y76-I343 HydrophobicContact CD2-CG1 3.93Å; Y76-I343 HydrophobicContact CG-CG1 4.32Å; Y76-T346 HydrophobicContact CE2-CG2 4.03Å
77	I	95	Very high	93	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	145.9	178.3	-168.5	172.6	0	0	0	111.4	L39 Q81 M83 I245 I247	L39-I77 HydrophobicContact CB-CG2 3.76Å; L39-I77 HydrophobicContact CD2-CG2 3.96Å; L39-I77 HydrophobicContact CG-CG2 4.21Å; L39-I77 PolarHBondContact N-O 2.99Å; L39-I77 PolarHBondContact O-N 3.14Å; I77-Q81 HydrophobicContact CD1-CB 4.2Å; I77-Q81 HydrophobicContact CG1-CB 3.8Å; I77-M83 HydrophobicContact CB-CE 4.07Å; I77-M83 HydrophobicContact CD1-CB 3.41Å; I77-M83 VanDerWaalsContact CD1-CB 3.41Å; I77-I245 HydrophobicContact CB-CG2 4.46Å; I77-I245 HydrophobicContact CD1-CG2 3.93Å; I77-I245 HydrophobicContact CG1-CG2 4.19Å; I77-I245 HydrophobicContact CG2-CG2 3.49Å; I77-I245 VanDerWaalsContact CG2-CG2 3.49Å; I77-I247 HydrophobicContact CD1-CG1 4.27Å; I77-I247 HydrophobicContact CG2-CD1 4.42Å
78	E	93.4	Very high	93.1	Very high	51 Å²	51	20.9 Å²	20.9	24%	0.238	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	158.8	177	-60.1	-172.2	170.8	0	0	112.2	R36 H37 Y76 Q81	R36-E78 IonicContact NH1-OE2 3.95Å; H37-E78 CarbonylContact O-C 3.55Å; H37-E78 WeakPolarHBondContact O-CA 3.49Å; Y76-E78 HydrophobicContact CE1-CG 3.6Å; Y76-E78 WeakPolarHBondContact CE1-OE1 3.47Å; Y76-E78 WeakPolarHBondContact OH-CG 3.23Å; Y76-E78 PolarHBondContact OH-OE1 3.29Å; E78-Q81 HydrophobicContact CB-CG 4.4Å; E78-Q81 VanDerWaalsContact O-CB 3.23Å; E78-Q81 WeakPolarHBondContact O-CB 3.47Å; E78-Q81 PolarHBondContact O-N 3.06Å
79	S	92.4	Very high	93	Very high	8 Å²	8	21.5 Å²	21.5	6%	0.056	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	137.8	174.1	-160.9	0	0	0	0	111.2	H37 Q81 N243 R244	H37-S79 PolarHBondContact O-N 3.13Å; S79-Q81 VanDerWaalsContact C-N 3.33Å; S79-N243 VanDerWaalsContact CB-OD1 3.24Å; S79-N243 WeakPolarHBondContact CB-OD1 3.29Å; S79-N243 WeakPolarHBondContact OG-CA 3.39Å; S79-N243 PolarHBondContact OG-O 3.31Å; S79-N243 VanDerWaalsContact OG-O 3.12Å; S79-N243 PolarHBondContact OG-OD1 3.46Å; S79-R244 PolarHBondContact OG-N 3.48Å
80	G	92.3	Very high	92.7	Very high	28 Å²	28	22.9 Å²	22.9	29%	0.289	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.9	-17.1	-169.1	0	0	0	0	0	113.3	A240 R244	G80-A240 VanDerWaalsContact CA-O 3.23Å; G80-A240 WeakPolarHBondContact CA-O 3.48Å; G80-R244 PolarHBondContact N-O 3.29Å
81	Q	94.1	Very high	92.5	Very high	48 Å²	48	22.9 Å²	22.9	22%	0.224	15%	0.152	C	C	.	.			trans	-100	148.7	-177.2	-57	-176.1	-41.7	0	0	112.8	I77 E78 S79 V246 D262	I77-Q81 HydrophobicContact CD1-CB 4.2Å; I77-Q81 HydrophobicContact CG1-CB 3.8Å; E78-Q81 HydrophobicContact CB-CG 4.4Å; E78-Q81 VanDerWaalsContact O-CB 3.23Å; E78-Q81 WeakPolarHBondContact O-CB 3.47Å; E78-Q81 PolarHBondContact O-N 3.06Å; S79-Q81 VanDerWaalsContact C-N 3.33Å; Q81-V246 PolarHBondContact O-N 2.92Å; Q81-D262 WeakPolarHBondContact CA-OD2 3.48Å; Q81-D262 HydrophobicContact CB-CB 4.03Å; Q81-D262 HydrophobicContact CG-CB 4.32Å
82	T	95.8	Very high	92.3	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132.7	170.1	55.9	0	0	0	0	110.6	V237 A240 V246 H260 F261 D262 K263	T82-V237 HydrophobicContact CG2-CB 4.36Å; T82-V237 HydrophobicContact CG2-CG2 3.97Å; T82-A240 HydrophobicContact CG2-CB 3.46Å; T82-A240 VanDerWaalsContact CG2-CB 3.46Å; T82-V246 CarbonylContact C-O 3.59Å; T82-V246 WeakPolarHBondContact CA-O 3.35Å; T82-V246 HydrophobicContact CG2-CB 4.31Å; T82-H260 PolarHBondContact OG1-O 3.05Å; T82-F261 WeakPolarHBondContact OG1-CA 3.43Å; T82-D262 PolarHBondContact N-OD2 3.27Å; T82-D262 PolarHBondContact O-N 2.71Å; T82-D262 PolarHBondContact OG1-N 2.98Å; T82-D262 PolarHBondContact OG1-OD2 3.19Å; T82-K263 PolarHBondContact O-N 3.45Å
83	M	96.2	Very high	92.3	Very high	0 Å²	0	18 Å²	18	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.1	174.1	175.3	176.6	-75.1	0	0	110.5	L75 I77 I85 V246 I247 V248 K263	L75-M83 HydrophobicContact CB-CE 4.42Å; L75-M83 HydrophobicContact CD1-SD 4.4Å; I77-M83 HydrophobicContact CB-CE 4.07Å; I77-M83 HydrophobicContact CD1-CB 3.41Å; I77-M83 VanDerWaalsContact CD1-CB 3.41Å; M83-I85 HydrophobicContact CG-CG1 4.34Å; M83-V246 PolarHBondContact N-O 2.97Å; M83-I247 HydrophobicContact CB-CG1 4.26Å; M83-I247 CarbonylContact O-C 3.57Å; M83-I247 WeakPolarHBondContact O-CA 3.48Å; M83-V248 PolarHBondContact O-N 2.9Å; M83-K263 CarbonylContact C-O 3.58Å; M83-K263 VanDerWaalsContact CA-O 3.28Å; M83-K263 WeakPolarHBondContact CA-O 3.37Å; M83-K263 HydrophobicContact CB-CB 4.31Å; M83-K263 HydrophobicContact CE-CB 4.03Å; M83-K263 HydrophobicContact CE-CD 3.9Å; M83-K263 HydrophobicContact CG-CB 4.35Å
84	C	95.7	Very high	92.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120.8	172.6	-176.8	0	0	0	0	110.3	V248 F261 K263 I264 A265	C84-V248 CarbonylContact C-O 3.57Å; C84-V248 WeakPolarHBondContact CA-O 3.34Å; C84-F261 HydrophobicContact CB-CB 4.22Å; C84-F261 HydrophobicContact CB-CD1 3.61Å; C84-F261 HydrophobicContact CB-CD2 3.75Å; C84-F261 HydrophobicContact CB-CE1 3.8Å; C84-F261 HydrophobicContact CB-CE2 3.93Å; C84-F261 HydrophobicContact CB-CG 3.58Å; C84-F261 HydrophobicContact CB-CZ 3.96Å; C84-K263 PolarHBondContact N-O 3.18Å; C84-I264 CarbonylContact O-C 3.5Å; C84-I264 WeakPolarHBondContact O-CA 3.4Å; C84-A265 PolarHBondContact O-N 3Å
85	I	95.7	Very high	92	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	116.3	173.4	-56.3	175.2	0	0	0	108.4	M83 K93 L96 L97 I247 V248 T249 I250 A265	M83-I85 HydrophobicContact CG-CG1 4.34Å; I85-K93 HydrophobicContact CG2-CG 4.19Å; I85-L96 HydrophobicContact CD1-CD2 4.14Å; I85-L97 HydrophobicContact CD1-CD1 3.87Å; I85-I247 HydrophobicContact CD1-CG2 3.57Å; I85-I247 HydrophobicContact CG1-CG2 4.13Å; I85-V248 PolarHBondContact N-O 2.73Å; I85-T249 HydrophobicContact CB-CG2 3.85Å; I85-T249 HydrophobicContact CG2-CG2 4.15Å; I85-T249 WeakPolarHBondContact O-CA 3.18Å; I85-I250 PolarHBondContact O-N 2.81Å; I85-I250 VanDerWaalsContact O-N 3.08Å; I85-A265 CarbonylContact C-O 3.53Å; I85-A265 WeakPolarHBondContact CA-O 3.46Å; I85-A265 HydrophobicContact CG1-CB 4.38Å
86	L	93.9	Very high	91.9	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.016	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	158	179.8	-61.7	169.1	0	0	0	110.6	I250 P253 I264 A265 I266 L267 F299 M303	L86-I250 HydrophobicContact CD2-CB 4.22Å; L86-P253 VanDerWaalsContact CD2-CD 3.48Å; L86-P253 HydrophobicContact CD2-CG 3.6Å; L86-I264 HydrophobicContact CD1-CG2 3.57Å; L86-I264 HydrophobicContact CG-CG2 4.4Å; L86-A265 PolarHBondContact N-O 2.91Å; L86-I266 HydrophobicContact CB-CG1 4.41Å; L86-L267 PolarHBondContact O-N 3Å; L86-F299 HydrophobicContact CD1-CD1 3.35Å; L86-F299 HydrophobicContact CD1-CE1 3.61Å; L86-F299 HydrophobicContact CD1-CG 4.45Å; L86-M303 HydrophobicContact CD2-CE 4.35Å
87	G	90.1	Very high	91.8	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.01	15%	0.147	C	C	.	.			trans	161.5	155.1	178.1	0	0	0	0	0	111.5	K93 L267	G87-K93 PolarHBondContact O-NZ 2.9Å; G87-L267 VanDerWaalsContact CA-O 3.26Å; G87-L267 WeakPolarHBondContact CA-O 3.25Å
88	S	84.6	Confident	91.5	Very high	27 Å²	27	22.6 Å²	22.6	19%	0.189	16%	0.157	C	C	.	.			trans	-62.5	169.2	177.5	61.6	0	0	0	0	112.4	G90 S91 K93	S88-G90 PolarHBondContact O-N 3.44Å; S88-S91 VanDerWaalsContact O-CB 3.29Å; S88-S91 WeakPolarHBondContact O-CB 3.35Å; S88-S91 PolarHBondContact O-N 3.25Å; S88-S91 PolarHBondContact O-OG 2.77Å; S88-K93 PolarHBondContact O-NZ 3.41Å
89	S	85	Confident	91.3	Very high	90 Å²	90	20.2 Å²	20.2	63%	0.629	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	129.5	170.4	-85.7	0	0	0	0	110.4	S91 H251	S89-S91 VanDerWaalsContact C-N 3.34Å; S89-H251 PolarHBondContact OG-NE2 2.88Å
90	G	83.7	Confident	91.2	Very high	77 Å²	77	19.9 Å²	19.9	79%	0.794	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.7	4.8	-177.6	0	0	0	0	0	116	S88 G92	S88-G90 PolarHBondContact O-N 3.44Å; G90-G92 PolarHBondContact O-N 3.34Å
91	S	88.4	Confident	91	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.007	13%	0.131	C	C	.	.	S	Bend	trans	-67.6	-13.1	176.9	50.6	0	0	0	0	115.5	S88 S89 K93 L267 G270	S88-S91 VanDerWaalsContact O-CB 3.29Å; S88-S91 WeakPolarHBondContact O-CB 3.35Å; S88-S91 PolarHBondContact O-N 3.25Å; S88-S91 PolarHBondContact O-OG 2.77Å; S89-S91 VanDerWaalsContact C-N 3.34Å; S91-K93 WeakPolarHBondContact OG-CG 3.25Å; S91-L267 WeakPolarHBondContact CB-O 3.44Å; S91-L267 WeakPolarHBondContact O-CD2 3.47Å; S91-G270 WeakPolarHBondContact O-CA 3.24Å; S91-G270 PolarHBondContact O-N 2.93Å
92	G	90	Very high	90.5	Very high	7 Å²	7	17.9 Å²	17.9	7%	0.072	14%	0.135	C	C	.	.	S	Bend	trans	101.4	6.2	-179.8	0	0	0	0	0	115.6	G90 T95 L96 L267	G90-G92 PolarHBondContact O-N 3.34Å; G92-T95 CarbonylContact O-C 3.33Å; G92-T95 WeakPolarHBondContact O-CB 3.45Å; G92-T95 PolarHBondContact O-N 3.34Å; G92-L96 WeakPolarHBondContact O-CB 3.44Å; G92-L96 PolarHBondContact O-N 3.29Å; G92-L267 VanDerWaalsContact C-CD2 3.46Å
93	K	92.5	Very high	89.8	Confident	8 Å²	8	19.8 Å²	19.8	4%	0.035	14%	0.142	C	C	.	.	H	α-helix	trans	-48	-61	178.3	-68.3	-169.9	-53	-71	0	114.3	I85 G87 S88 S91 T95 L96 L97 E219 T249	I85-K93 HydrophobicContact CG2-CG 4.19Å; G87-K93 PolarHBondContact O-NZ 2.9Å; S88-K93 PolarHBondContact O-NZ 3.41Å; S91-K93 WeakPolarHBondContact OG-CG 3.25Å; K93-T95 VanDerWaalsContact C-N 3.3Å; K93-T95 PolarHBondContact O-N 2.94Å; K93-L96 WeakPolarHBondContact O-CB 3.45Å; K93-L96 PolarHBondContact O-N 2.95Å; K93-L96 VanDerWaalsContact O-N 3.16Å; K93-L97 PolarHBondContact O-N 2.77Å; K93-E219 IonicContact NZ-OE1 3.54Å; K93-T249 HydrophobicContact CB-CG2 3.68Å; K93-T249 HydrophobicContact CD-CG2 4.32Å; K93-T249 HydrophobicContact CG-CG2 4.33Å
94	T	90.9	Very high	88.9	Confident	47 Å²	47	21.3 Å²	21.3	29%	0.288	15%	0.15	S	C	.	.	H	α-helix	trans	-61.5	-40.5	179	-52.8	0	0	0	0	111	L96 L97 D98 D218	T94-L96 VanDerWaalsContact C-N 3.3Å; T94-L96 PolarHBondContact O-N 3.04Å; T94-L97 PolarHBondContact O-N 3.49Å; T94-D98 WeakPolarHBondContact O-CB 3.42Å; T94-D98 VanDerWaalsContact O-CG 3.24Å; T94-D98 PolarHBondContact O-N 3.21Å; T94-D218 WeakPolarHBondContact CG2-OD2 3.38Å; T94-D218 PolarHBondContact OG1-OD1 2.88Å; T94-D218 PolarHBondContact OG1-OD2 3.22Å
95	T	91.3	Very high	87.6	Confident	33 Å²	33	28.6 Å²	28.6	20%	0.202	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-38.7	176.1	-45.4	0	0	0	0	112.1	F46 I69 L70 G92 K93 D98 A99 L104	F46-T95 HydrophobicContact CD1-CG2 3.7Å; F46-T95 HydrophobicContact CE1-CG2 4.18Å; I69-T95 HydrophobicContact CG2-CG2 3.93Å; L70-T95 HydrophobicContact CD1-CG2 3.89Å; L70-T95 HydrophobicContact CG-CG2 4.24Å; G92-T95 CarbonylContact O-C 3.33Å; G92-T95 WeakPolarHBondContact O-CB 3.45Å; G92-T95 PolarHBondContact O-N 3.34Å; K93-T95 VanDerWaalsContact C-N 3.3Å; K93-T95 PolarHBondContact O-N 2.94Å; T95-D98 PolarHBondContact O-N 3.23Å; T95-A99 WeakPolarHBondContact O-CB 3.39Å; T95-A99 PolarHBondContact O-N 3.33Å; T95-L104 HydrophobicContact CG2-CD2 3.9Å
96	L	93.5	Very high	86.2	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-67.5	-45.7	176.8	178.9	61.4	0	0	0	110.7	L70 V73 L75 I85 G92 K93 T94 D98 A99 I100 L267	L70-L96 HydrophobicContact CD1-CB 4.17Å; L70-L96 HydrophobicContact CD1-CD1 4.31Å; L70-L96 HydrophobicContact CD2-CB 3.98Å; V73-L96 HydrophobicContact CB-CD1 4.24Å; V73-L96 HydrophobicContact CG1-CD1 3.91Å; V73-L96 HydrophobicContact CG1-CD2 4Å; L75-L96 HydrophobicContact CD2-CD2 4.12Å; I85-L96 HydrophobicContact CD1-CD2 4.14Å; G92-L96 WeakPolarHBondContact O-CB 3.44Å; G92-L96 PolarHBondContact O-N 3.29Å; K93-L96 WeakPolarHBondContact O-CB 3.45Å; K93-L96 PolarHBondContact O-N 2.95Å; K93-L96 VanDerWaalsContact O-N 3.16Å; T94-L96 VanDerWaalsContact C-N 3.3Å; T94-L96 PolarHBondContact O-N 3.04Å; L96-D98 VanDerWaalsContact C-N 3.32Å; L96-D98 PolarHBondContact O-N 3.12Å; L96-A99 WeakPolarHBondContact O-CB 3.44Å; L96-A99 PolarHBondContact O-N 3.34Å; L96-A99 VanDerWaalsContact O-N 3.11Å; L96-I100 HydrophobicContact CD1-CD1 3.83Å; L96-I100 HydrophobicContact CD1-CG1 4.14Å; L96-I100 HydrophobicContact CG-CD1 3.84Å; L96-I100 VanDerWaalsContact O-CG1 3.25Å; L96-I100 WeakPolarHBondContact O-CG1 3.42Å; L96-I100 PolarHBondContact O-N 3.06Å; L96-L267 HydrophobicContact CB-CD2 4.37Å; L96-L267 HydrophobicContact CD2-CD1 4.14Å; L96-L267 HydrophobicContact CD2-CD2 4.19Å
97	L	93.5	Very high	85	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.4	-43.5	173.5	-108.5	88.1	0	0	0	112.1	I85 K93 T94 A99 I100 S101 Y132 M216 D218 I247 T249	I85-L97 HydrophobicContact CD1-CD1 3.87Å; K93-L97 PolarHBondContact O-N 2.77Å; T94-L97 PolarHBondContact O-N 3.49Å; L97-A99 PolarHBondContact O-N 3.03Å; L97-I100 PolarHBondContact O-N 3.41Å; L97-S101 VanDerWaalsContact O-CB 3.28Å; L97-S101 WeakPolarHBondContact O-CB 3.5Å; L97-S101 PolarHBondContact O-N 3.33Å; L97-S101 PolarHBondContact O-OG 2.92Å; L97-Y132 HydrophobicContact CB-CE2 3.87Å; L97-Y132 HydrophobicContact CD2-CE2 4.02Å; L97-Y132 HydrophobicContact CG-CE2 4.4Å; L97-M216 HydrophobicContact CD2-CB 3.76Å; L97-M216 HydrophobicContact CG-CB 4.24Å; L97-D218 HydrophobicContact CD2-CB 4.25Å; L97-I247 HydrophobicContact CD1-CG2 4.25Å; L97-T249 HydrophobicContact CD1-CG2 3.31Å
98	D	89.7	Confident	84.4	Confident	39 Å²	39	38.8 Å²	38.8	21%	0.209	23%	0.226	C	C	.	.	H	α-helix	trans	-64	-31.9	176.8	-71.9	-12.5	0	0	0	111.6	T94 T95 L96 S101 G102 R103 L104 Y132	T94-D98 WeakPolarHBondContact O-CB 3.42Å; T94-D98 VanDerWaalsContact O-CG 3.24Å; T94-D98 PolarHBondContact O-N 3.21Å; T95-D98 PolarHBondContact O-N 3.23Å; L96-D98 VanDerWaalsContact C-N 3.32Å; L96-D98 PolarHBondContact O-N 3.12Å; D98-S101 WeakPolarHBondContact CA-OG 3.41Å; D98-S101 PolarHBondContact O-OG 3.24Å; D98-G102 PolarHBondContact O-N 3.04Å; D98-R103 HydrophobicContact CB-CB 4.22Å; D98-R103 PolarHBondContact O-N 3.37Å; D98-L104 HydrophobicContact CB-CD2 4.38Å; D98-L104 HydrophobicContact CB-CG 4.25Å; D98-L104 PolarHBondContact O-N 3.1Å; D98-L104 VanDerWaalsContact O-N 3.12Å; D98-Y132 VanDerWaalsContact OD1-CZ 3.24Å; D98-Y132 PolarHBondContact OD1-OH 3.24Å
99	A	88.9	Confident	84.3	Confident	2 Å²	2	41.4 Å²	41.4	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-68	-51.8	175.2	0	0	0	0	0	111.6	V44 L70 T95 L96 L97 S101 G102 L104 L110	V44-A99 HydrophobicContact CG1-CB 4.16Å; L70-A99 HydrophobicContact CD1-CB 4.27Å; T95-A99 WeakPolarHBondContact O-CB 3.39Å; T95-A99 PolarHBondContact O-N 3.33Å; L96-A99 WeakPolarHBondContact O-CB 3.44Å; L96-A99 PolarHBondContact O-N 3.34Å; L96-A99 VanDerWaalsContact O-N 3.11Å; L97-A99 PolarHBondContact O-N 3.03Å; A99-S101 PolarHBondContact O-N 3.09Å; A99-G102 PolarHBondContact O-N 2.87Å; A99-G102 VanDerWaalsContact O-N 3.14Å; A99-L104 HydrophobicContact CB-CD1 3.33Å; A99-L104 HydrophobicContact CB-CG 4.07Å; A99-L110 HydrophobicContact CB-CD1 4.16Å
100	I	89.8	Confident	84.4	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-71.8	-23	-175.9	-50.5	161.8	0	0	0	111	L39 V41 L75 L96 L97 V114 F126 M216	L39-I100 HydrophobicContact CD1-CG2 4.33Å; L39-I100 HydrophobicContact CD2-CG2 4.39Å; V41-I100 HydrophobicContact CG1-CG1 4.49Å; V41-I100 HydrophobicContact CG2-CD1 4.08Å; V41-I100 HydrophobicContact CG2-CG1 3.99Å; V41-I100 HydrophobicContact CG2-CG2 3.84Å; L75-I100 HydrophobicContact CD1-CD1 4.29Å; L75-I100 HydrophobicContact CD2-CD1 4.22Å; L96-I100 HydrophobicContact CD1-CD1 3.83Å; L96-I100 HydrophobicContact CD1-CG1 4.14Å; L96-I100 HydrophobicContact CG-CD1 3.84Å; L96-I100 VanDerWaalsContact O-CG1 3.25Å; L96-I100 WeakPolarHBondContact O-CG1 3.42Å; L96-I100 PolarHBondContact O-N 3.06Å; L97-I100 PolarHBondContact O-N 3.41Å; I100-V114 HydrophobicContact CG2-CG1 3.96Å; I100-V114 HydrophobicContact CG2-CG2 4.46Å; I100-F126 WeakPolarHBondContact O-CD1 3.4Å; I100-F126 WeakPolarHBondContact O-CE1 3.39Å; I100-M216 HydrophobicContact CB-CE 3.77Å; I100-M216 HydrophobicContact CB-SD 4.18Å; I100-M216 HydrophobicContact CG2-CE 3.32Å; I100-M216 HydrophobicContact CG2-SD 4.38Å
101	S	88.2	Confident	84.7	Confident	4 Å²	4	40.6 Å²	40.6	3%	0.028	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-0.4	173.7	62.9	0	0	0	0	114.6	L97 D98 A99 R103 F126 Y132	L97-S101 VanDerWaalsContact O-CB 3.28Å; L97-S101 WeakPolarHBondContact O-CB 3.5Å; L97-S101 PolarHBondContact O-N 3.33Å; L97-S101 PolarHBondContact O-OG 2.92Å; D98-S101 WeakPolarHBondContact CA-OG 3.41Å; D98-S101 PolarHBondContact O-OG 3.24Å; A99-S101 PolarHBondContact O-N 3.09Å; S101-R103 VanDerWaalsContact C-N 3.26Å; S101-R103 PolarHBondContact O-N 3.25Å; S101-R103 WeakPolarHBondContact OG-CG 3.5Å; S101-F126 WeakPolarHBondContact O-CB 3.34Å; S101-Y132 WeakPolarHBondContact OG-CD2 3.38Å; S101-Y132 WeakPolarHBondContact OG-CE2 3.42Å
102	G	83.8	Confident	84.7	Confident	30 Å²	30	42.5 Å²	42.5	31%	0.309	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	20	-178.3	0	0	0	0	0	114.6	D98 A99	D98-G102 PolarHBondContact O-N 3.04Å; A99-G102 PolarHBondContact O-N 2.87Å; A99-G102 VanDerWaalsContact O-N 3.14Å
103	R	80.5	Confident	84.6	Confident	42 Å²	42	45.5 Å²	45.5	16%	0.158	24%	0.24	C	C	.	.			trans	-89.9	-11.5	179.6	-71.1	-174.2	164.7	-161.6	-7.6	114.5	D98 S101 R105 Y132 Q455 D456	D98-R103 HydrophobicContact CB-CB 4.22Å; D98-R103 PolarHBondContact O-N 3.37Å; S101-R103 VanDerWaalsContact C-N 3.26Å; S101-R103 PolarHBondContact O-N 3.25Å; S101-R103 WeakPolarHBondContact OG-CG 3.5Å; R103-R105 PolarHBondContact O-N 2.87Å; R103-Y132 VanDerWaalsContact CZ-CB 3.49Å; R103-Q455 VanDerWaalsContact NH2-C 3.27Å; R103-Q455 PolarHBondContact NH2-O 2.92Å; R103-D456 IonicContact CZ-OD1 2.7Å; R103-D456 IonicContact NH1-OD1 3.95Å; R103-D456 IonicContact NH2-OD1 2.95Å; R103-D456 PolarHBondContact NH2-OD1 3.29Å
104	L	77.2	Confident	84.6	Confident	32 Å²	32	45.5 Å²	45.5	17%	0.168	24%	0.241	C	C	.	.			trans	-51.9	133.1	178.2	-88.6	174.6	0	0	0	112.5	F46 T95 D98 A99 L110	F46-L104 HydrophobicContact CB-CD1 4.29Å; F46-L104 HydrophobicContact CD1-CD1 4.28Å; F46-L104 HydrophobicContact CD1-CD2 3.74Å; F46-L104 HydrophobicContact CD2-CD1 3.56Å; F46-L104 HydrophobicContact CD2-CD2 4.15Å; F46-L104 HydrophobicContact CD2-CG 4.42Å; F46-L104 HydrophobicContact CE1-CD2 3.42Å; F46-L104 VanDerWaalsContact CE1-CD2 3.42Å; F46-L104 HydrophobicContact CE2-CB 4.4Å; F46-L104 HydrophobicContact CE2-CD1 3.89Å; F46-L104 HydrophobicContact CE2-CD2 3.88Å; F46-L104 HydrophobicContact CE2-CG 4.31Å; F46-L104 HydrophobicContact CG-CD1 3.78Å; F46-L104 HydrophobicContact CG-CD2 4.09Å; F46-L104 HydrophobicContact CZ-CD1 4.38Å; F46-L104 HydrophobicContact CZ-CD2 3.53Å; F46-L104 HydrophobicContact CZ-CG 4.42Å; T95-L104 HydrophobicContact CG2-CD2 3.9Å; D98-L104 HydrophobicContact CB-CD2 4.38Å; D98-L104 HydrophobicContact CB-CG 4.25Å; D98-L104 PolarHBondContact O-N 3.1Å; D98-L104 VanDerWaalsContact O-N 3.12Å; A99-L104 HydrophobicContact CB-CD1 3.33Å; A99-L104 HydrophobicContact CB-CG 4.07Å; L104-L110 HydrophobicContact CD1-CD1 3.79Å
105	R	67.8	Low	84.5	Confident	153 Å²	153	43.8 Å²	43.8	58%	0.577	23%	0.229	S	C	*	.			trans	-62.4	138.3	176.2	-73.7	-169.1	-166	-177	6.6	110.9	R103 T107 R652	R103-R105 PolarHBondContact O-N 2.87Å; R105-T107 PolarHBondContact O-N 3.1Å; R105-T107 VanDerWaalsContact O-N 3.09Å; R105-R652 CarbonylContact C-O 3.5Å; R105-R652 VanDerWaalsContact CB-O 3.27Å; R105-R652 WeakPolarHBondContact CB-O 3.07Å; R105-R652 WeakPolarHBondContact CD-OXT 3.33Å
106	R	66.4	Low	84.4	Confident	149 Å²	149	42.2 Å²	42.2	56%	0.562	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-3.6	179.7	-58.1	177.8	176.4	-175.9	-1.8	114.9	G108 Y648 S651 R652	R106-G108 PolarHBondContact O-N 3.24Å; R106-Y648 VanDerWaalsContact NH1-CE2 3.27Å; R106-S651 PolarHBondContact N-O 2.83Å; R106-R652 CarbonylContact C-O 3.6Å; R106-R652 HydrophobicContact CB-CB 4.45Å; R106-R652 HydrophobicContact CB-CG 3.88Å; R106-R652 PolarHBondContact N-O 2.74Å
107	T	69.7	Low	84.1	Confident	56 Å²	56	42.4 Å²	42.4	34%	0.344	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-5.7	174.5	44.5	0	0	0	0	114.2	S49 R105 R652	S49-T107 PolarHBondContact N-O 3.14Å; S49-T107 PolarHBondContact OG-O 3.05Å; R105-T107 PolarHBondContact O-N 3.1Å; R105-T107 VanDerWaalsContact O-N 3.09Å; T107-R652 HydrophobicContact CG2-CG 4.5Å; T107-R652 WeakPolarHBondContact CG2-O 2.9Å; T107-R652 PolarHBondContact N-O 2.88Å; T107-R652 PolarHBondContact OG1-O 3.27Å
108	G	76.3	Confident	83.5	Confident	14 Å²	14	43.2 Å²	43.2	14%	0.144	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	173.2	175.7	0	0	0	0	0	115.5	S47 R106	S47-G108 CarbonylContact O-C 3.27Å; S47-G108 WeakPolarHBondContact O-CA 3.22Å; R106-G108 PolarHBondContact O-N 3.24Å
109	T	84.4	Confident	83.3	Confident	82 Å²	82	44.6 Å²	44.6	50%	0.503	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125	168.6	50.7	0	0	0	0	109.3	F46 S47	F46-T109 WeakPolarHBondContact CA-O 3.4Å; F46-T109 VanDerWaalsContact CD2-O 3.31Å; F46-T109 WeakPolarHBondContact CD2-O 3.43Å; S47-T109 PolarHBondContact N-O 2.97Å; S47-T109 PolarHBondContact O-N 2.72Å
110	L	86.1	Confident	83.2	Confident	55 Å²	55	49.6 Å²	49.6	29%	0.288	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.6	169.2	179.9	68.1	0	0	0	107.2	V44 S45 F46 A99 L104	V44-L110 HydrophobicContact CG1-CD1 3.83Å; S45-L110 WeakPolarHBondContact O-CA 3.46Å; F46-L110 HydrophobicContact CB-CD1 4.46Å; F46-L110 HydrophobicContact CD2-CB 4.39Å; A99-L110 HydrophobicContact CB-CD1 4.16Å; L104-L110 HydrophobicContact CD1-CD1 3.79Å
111	E	89.9	Confident	82.7	Confident	96 Å²	96	50 Å²	50	45%	0.449	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	158.1	172	-69.4	166.3	-172.8	0	0	108.5	V44 S45 K68	V44-E111 WeakPolarHBondContact CA-O 3.47Å; S45-E111 PolarHBondContact N-O 3.37Å; S45-E111 PolarHBondContact O-N 3.4Å; K68-E111 IonicContact NZ-OE2 2.72Å
112	G	88.3	Confident	82.3	Confident	40 Å²	40	56.9 Å²	56.9	41%	0.412	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	87.7	174.6	-176	0	0	0	0	0	113.5	L42 N43	L42-G112 WeakPolarHBondContact O-CA 3.38Å; N43-G112 WeakPolarHBondContact O-CA 3.35Å
113	E	88.9	Confident	81.8	Confident	71 Å²	71	64 Å²	64	33%	0.332	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.3	-167.6	-64.7	169.8	177.5	0	0	110.4	L42 F115 E120 R347	L42-E113 PolarHBondContact N-O 2.87Å; L42-E113 PolarHBondContact O-N 2.94Å; E113-F115 HydrophobicContact CB-CE2 3.46Å; E113-F115 VanDerWaalsContact CB-CE2 3.46Å; E113-F115 HydrophobicContact CB-CZ 3.44Å; E113-F115 VanDerWaalsContact CB-CZ 3.44Å; E113-F115 HydrophobicContact CG-CZ 4.32Å; E113-F115 VanDerWaalsContact OE2-CZ 3.29Å; E113-F115 WeakPolarHBondContact OE2-CZ 3.47Å; E113-E120 HydrophobicContact CB-CG 4.38Å; E113-R347 IonicContact OE2-CZ 2.76Å; E113-R347 IonicContact OE2-NH1 3.39Å; E113-R347 IonicContact OE2-NH2 2.75Å; E113-R347 PolarHBondContact OE2-NH2 3.17Å
114	V	91.1	Very high	81.6	Confident	8 Å²	8	66.4 Å²	66.4	5%	0.048	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.8	176.4	-178	0	0	0	0	109.2	L39 V41 V44 I100 E120 L121 F126	L39-V114 HydrophobicContact CD1-CG1 3.77Å; V41-V114 HydrophobicContact CG2-CG1 4.15Å; V41-V114 HydrophobicContact CG2-CG2 4.29Å; V44-V114 HydrophobicContact CG2-CG2 4.26Å; I100-V114 HydrophobicContact CG2-CG1 3.96Å; I100-V114 HydrophobicContact CG2-CG2 4.46Å; V114-E120 WeakPolarHBondContact O-CA 3.4Å; V114-L121 PolarHBondContact O-N 3.46Å; V114-F126 HydrophobicContact CB-CE1 3.86Å; V114-F126 HydrophobicContact CB-CZ 3.82Å; V114-F126 HydrophobicContact CG1-CE1 3.95Å; V114-F126 HydrophobicContact CG1-CZ 4.4Å; V114-F126 HydrophobicContact CG2-CE1 4.11Å; V114-F126 HydrophobicContact CG2-CZ 4.07Å
115	F	89.8	Confident	81.8	Confident	10 Å²	10	66.7 Å²	66.7	4%	0.044	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.8	-178.1	-60.7	-81.7	0	0	0	110.3	L39 G40 L42 E113 C119 E120 I343 R347	L39-F115 CarbonylContact C-O 3.56Å; L39-F115 WeakPolarHBondContact CA-O 3.35Å; G40-F115 PolarHBondContact N-O 2.86Å; G40-F115 PolarHBondContact O-N 3.14Å; L42-F115 HydrophobicContact CB-CE2 4.22Å; E113-F115 HydrophobicContact CB-CE2 3.46Å; E113-F115 VanDerWaalsContact CB-CE2 3.46Å; E113-F115 HydrophobicContact CB-CZ 3.44Å; E113-F115 VanDerWaalsContact CB-CZ 3.44Å; E113-F115 HydrophobicContact CG-CZ 4.32Å; E113-F115 VanDerWaalsContact OE2-CZ 3.29Å; E113-F115 WeakPolarHBondContact OE2-CZ 3.47Å; F115-C119 CarbonylContact C-O 3.54Å; F115-C119 WeakPolarHBondContact CA-O 3.49Å; F115-E120 HydrophobicContact CD1-CB 4.28Å; F115-E120 HydrophobicContact CE1-CB 3.77Å; F115-E120 HydrophobicContact CE1-CG 4.18Å; F115-E120 HydrophobicContact CZ-CB 4.38Å; F115-E120 HydrophobicContact CZ-CG 4.3Å; F115-I343 HydrophobicContact CD2-CG2 4.25Å; F115-R347 HydrophobicContact CD1-CG 3.97Å; F115-R347 HydrophobicContact CE1-CG 4.12Å; F115-R347 VanDerWaalsContact CE1-NE 3.33Å; F115-R347 HydrophobicContact CG-CG 4.41Å
116	V	88.5	Confident	82.5	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	121.5	164.8	176.8	0	0	0	0	108.5	S38 L39 G118 C119 L121 V355 P356	S38-V116 WeakPolarHBondContact O-CA 3.38Å; L39-V116 HydrophobicContact CD1-CG2 3.59Å; V116-G118 PolarHBondContact O-N 3.03Å; V116-C119 PolarHBondContact N-O 3.3Å; V116-C119 PolarHBondContact O-N 3.33Å; V116-L121 HydrophobicContact CB-CD1 4.26Å; V116-L121 HydrophobicContact CB-CG 4.24Å; V116-L121 HydrophobicContact CG2-CD1 3.44Å; V116-L121 VanDerWaalsContact CG2-CD1 3.44Å; V116-L121 HydrophobicContact CG2-CG 3.93Å; V116-V355 HydrophobicContact CB-CG1 4.48Å; V116-V355 HydrophobicContact CG1-CG1 4.26Å; V116-P356 HydrophobicContact CG1-CG 4.31Å
117	N	87	Confident	83.1	Confident	6 Å²	6	57.1 Å²	57.1	3%	0.032	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	41.1	-175.3	-57.3	-16.7	0	0	0	112.4	H37 S38 C119 L352 P353 M354 P356	H37-N117 WeakPolarHBondContact CA-OD1 3.26Å; H37-N117 WeakPolarHBondContact CB-OD1 3.47Å; H37-N117 PolarHBondContact ND1-ND2 3.4Å; S38-N117 PolarHBondContact N-OD1 2.87Å; S38-N117 PolarHBondContact O-N 3.24Å; S38-N117 PolarHBondContact O-OD1 3.43Å; N117-C119 PolarHBondContact O-N 2.97Å; N117-L352 HydrophobicContact CB-CB 4.15Å; N117-P353 WeakPolarHBondContact CB-O 3.23Å; N117-P353 PolarHBondContact ND2-O 3.05Å; N117-M354 PolarHBondContact ND2-O 3.16Å; N117-P356 WeakPolarHBondContact ND2-CD 3.31Å
118	G	81	Confident	83.5	Confident	18 Å²	18	58.6 Å²	58.6	19%	0.186	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	-8.2	179.8	0	0	0	0	0	115.6	V116 T346	V116-G118 PolarHBondContact O-N 3.03Å; G118-T346 VanDerWaalsContact CA-O 3.28Å; G118-T346 WeakPolarHBondContact CA-O 3.39Å
119	C	85.4	Confident	84	Confident	67 Å²	67	58 Å²	58	45%	0.453	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.3	174.8	-69.5	0	0	0	0	111	F115 V116 N117 L121 V355	F115-C119 CarbonylContact C-O 3.54Å; F115-C119 WeakPolarHBondContact CA-O 3.49Å; V116-C119 PolarHBondContact N-O 3.3Å; V116-C119 PolarHBondContact O-N 3.33Å; N117-C119 PolarHBondContact O-N 2.97Å; C119-L121 PolarHBondContact O-N 3.41Å; C119-V355 HydrophobicContact CB-CG2 3.67Å
120	E	86.2	Confident	84.2	Confident	108 Å²	108	54.3 Å²	54.3	51%	0.505	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	127.3	171.1	-166.1	-172.1	160.4	0	0	110	E113 V114 F115	E113-E120 HydrophobicContact CB-CG 4.38Å; V114-E120 WeakPolarHBondContact O-CA 3.4Å; F115-E120 HydrophobicContact CD1-CB 4.28Å; F115-E120 HydrophobicContact CE1-CB 3.77Å; F115-E120 HydrophobicContact CE1-CG 4.18Å; F115-E120 HydrophobicContact CZ-CB 4.38Å; F115-E120 HydrophobicContact CZ-CG 4.3Å
121	L	81.3	Confident	84.5	Confident	8 Å²	8	51.8 Å²	51.8	4%	0.042	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-78.6	126.5	176.9	-77.4	176.6	0	0	0	110.8	V114 V116 C119 Q125 F126 C129 V355	V114-L121 PolarHBondContact O-N 3.46Å; V116-L121 HydrophobicContact CB-CD1 4.26Å; V116-L121 HydrophobicContact CB-CG 4.24Å; V116-L121 HydrophobicContact CG2-CD1 3.44Å; V116-L121 VanDerWaalsContact CG2-CD1 3.44Å; V116-L121 HydrophobicContact CG2-CG 3.93Å; C119-L121 PolarHBondContact O-N 3.41Å; L121-Q125 HydrophobicContact CD2-CB 3.94Å; L121-F126 HydrophobicContact CB-CD1 4.32Å; L121-F126 HydrophobicContact CB-CD2 4.04Å; L121-F126 HydrophobicContact CB-CE1 3.99Å; L121-F126 HydrophobicContact CB-CE2 3.69Å; L121-F126 HydrophobicContact CB-CG 4.36Å; L121-F126 HydrophobicContact CB-CZ 3.68Å; L121-F126 HydrophobicContact CD1-CD1 3.7Å; L121-F126 HydrophobicContact CD1-CE1 3.73Å; L121-F126 HydrophobicContact CD1-CG 4.24Å; L121-F126 HydrophobicContact CD1-CZ 4.29Å; L121-F126 VanDerWaalsContact O-CE2 3.31Å; L121-F126 WeakPolarHBondContact O-CE2 3.19Å; L121-C129 HydrophobicContact CD1-CB 4.42Å; L121-C129 HydrophobicContact CD2-CB 4.18Å; L121-V355 HydrophobicContact CD2-CG1 3.96Å
122	R	78.9	Confident	84.6	Confident	150 Å²	150	47.4 Å²	47.4	57%	0.566	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-75.8	154.8	166.8	-56.4	-173.6	-49.4	-164.5	5	110.3	D124 Q125 F126	R122-D124 WeakPolarHBondContact CB-OD1 3.18Å; R122-D124 IonicContact CZ-OD2 3.18Å; R122-D124 IonicContact NE-OD1 3.77Å; R122-D124 PolarHBondContact NE-OD1 3.42Å; R122-D124 IonicContact NE-OD2 2.71Å; R122-D124 IonicContact NH2-OD2 3.31Å; R122-D124 PolarHBondContact NH2-OD2 3.29Å; R122-D124 PolarHBondContact O-N 3.42Å; R122-D124 VanDerWaalsContact O-N 3.12Å; R122-Q125 HydrophobicContact CB-CG 4.25Å; R122-Q125 VanDerWaalsContact N-OE1 3.11Å; R122-Q125 WeakPolarHBondContact O-CA 3.19Å; R122-Q125 WeakPolarHBondContact O-CB 3.49Å; R122-Q125 PolarHBondContact O-N 3.06Å; R122-F126 WeakPolarHBondContact O-CD2 3.48Å; R122-F126 PolarHBondContact O-N 2.66Å
123	R	74.2	Confident	84.8	Confident	178 Å²	178	45.7 Å²	45.7	67%	0.672	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-38.2	-179.1	-80.9	-173.6	177.1	157.2	0.1	114.4	Q125	R123-Q125 VanDerWaalsContact C-N 3.3Å
124	D	74.7	Confident	84.9	Confident	93 Å²	93	44 Å²	44	50%	0.497	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-28.5	176.7	53.9	-47.8	0	0	0	113	R122	R122-D124 WeakPolarHBondContact CB-OD1 3.18Å; R122-D124 IonicContact CZ-OD2 3.18Å; R122-D124 IonicContact NE-OD1 3.77Å; R122-D124 PolarHBondContact NE-OD1 3.42Å; R122-D124 IonicContact NE-OD2 2.71Å; R122-D124 IonicContact NH2-OD2 3.31Å; R122-D124 PolarHBondContact NH2-OD2 3.29Å; R122-D124 PolarHBondContact O-N 3.42Å; R122-D124 VanDerWaalsContact O-N 3.12Å
125	Q	81.7	Confident	84.8	Confident	39 Å²	39	48.3 Å²	48.3	18%	0.182	23%	0.231	C	C	.	.	H	α-helix	trans	-86.1	-18.7	-173.8	-69.6	175	-22	0	0	113.8	L121 R122 R123 D128 C129 F357	L121-Q125 HydrophobicContact CD2-CB 3.94Å; R122-Q125 HydrophobicContact CB-CG 4.25Å; R122-Q125 VanDerWaalsContact N-OE1 3.11Å; R122-Q125 WeakPolarHBondContact O-CA 3.19Å; R122-Q125 WeakPolarHBondContact O-CB 3.49Å; R122-Q125 PolarHBondContact O-N 3.06Å; R123-Q125 VanDerWaalsContact C-N 3.3Å; Q125-D128 PolarHBondContact O-N 3.5Å; Q125-C129 WeakPolarHBondContact O-CB 3.46Å; Q125-C129 PolarHBondContact O-N 2.82Å; Q125-F357 HydrophobicContact CB-CE1 3.92Å; Q125-F357 HydrophobicContact CG-CE1 3.91Å; Q125-F357 HydrophobicContact CG-CZ 4.26Å
126	F	82.9	Confident	84.5	Confident	13 Å²	13	51.5 Å²	51.5	6%	0.057	25%	0.254	C	S	.	.	H	α-helix	trans	-60.6	-47.9	-178.8	-82	-86.4	0	0	0	112.7	I100 S101 V114 L121 R122 D128 C129 V130	I100-F126 WeakPolarHBondContact O-CD1 3.4Å; I100-F126 WeakPolarHBondContact O-CE1 3.39Å; S101-F126 WeakPolarHBondContact O-CB 3.34Å; V114-F126 HydrophobicContact CB-CE1 3.86Å; V114-F126 HydrophobicContact CB-CZ 3.82Å; V114-F126 HydrophobicContact CG1-CE1 3.95Å; V114-F126 HydrophobicContact CG1-CZ 4.4Å; V114-F126 HydrophobicContact CG2-CE1 4.11Å; V114-F126 HydrophobicContact CG2-CZ 4.07Å; L121-F126 HydrophobicContact CB-CD1 4.32Å; L121-F126 HydrophobicContact CB-CD2 4.04Å; L121-F126 HydrophobicContact CB-CE1 3.99Å; L121-F126 HydrophobicContact CB-CE2 3.69Å; L121-F126 HydrophobicContact CB-CG 4.36Å; L121-F126 HydrophobicContact CB-CZ 3.68Å; L121-F126 HydrophobicContact CD1-CD1 3.7Å; L121-F126 HydrophobicContact CD1-CE1 3.73Å; L121-F126 HydrophobicContact CD1-CG 4.24Å; L121-F126 HydrophobicContact CD1-CZ 4.29Å; L121-F126 VanDerWaalsContact O-CE2 3.31Å; L121-F126 WeakPolarHBondContact O-CE2 3.19Å; R122-F126 WeakPolarHBondContact O-CD2 3.48Å; R122-F126 PolarHBondContact O-N 2.66Å; F126-D128 PolarHBondContact O-N 3.08Å; F126-C129 PolarHBondContact O-N 2.69Å; F126-V130 PolarHBondContact O-N 2.81Å
127	Q	77.8	Confident	84.4	Confident	87 Å²	87	52.7 Å²	52.7	41%	0.407	26%	0.261	S	S	.	.	H	α-helix	trans	-62.7	-34.2	-180	-71.4	-172.8	-6.6	0	0	112	K358	Q127-K358 WeakPolarHBondContact O-CD 3.42Å; Q127-K358 PolarHBondContact O-NZ 2.9Å
128	D	79.7	Confident	84.5	Confident	88 Å²	88	54.5 Å²	54.5	47%	0.471	27%	0.272	S	S	.	.	H	α-helix	trans	-75.2	-23.7	177	-67.8	-21.4	0	0	0	111.9	Q125 F126 F357 K358	Q125-D128 PolarHBondContact O-N 3.5Å; F126-D128 PolarHBondContact O-N 3.08Å; D128-F357 HydrophobicContact CB-CD1 3.82Å; D128-F357 CarbonylContact O-C 3.6Å; D128-F357 WeakPolarHBondContact O-CA 3.41Å; D128-K358 WeakPolarHBondContact O-CA 3.35Å; D128-K358 WeakPolarHBondContact O-CB 3.48Å; D128-K358 WeakPolarHBondContact O-CD 3.14Å; D128-K358 WeakPolarHBondContact O-CG 3.31Å; D128-K358 PolarHBondContact O-N 3.33Å
129	C	85.5	Confident	85.1	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-98.5	-33	-178.3	-167.5	0	0	0	0	113.7	L121 Q125 F126 V355	L121-C129 HydrophobicContact CD1-CB 4.42Å; L121-C129 HydrophobicContact CD2-CB 4.18Å; Q125-C129 WeakPolarHBondContact O-CB 3.46Å; Q125-C129 PolarHBondContact O-N 2.82Å; F126-C129 PolarHBondContact O-N 2.69Å; C129-V355 HydrophobicContact CB-CG1 4.44Å
130	V	89.3	Confident	85.4	Confident	6 Å²	6	51.3 Å²	51.3	4%	0.036	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.2	-165.8	179.5	0	0	0	0	111.5	F126 V214 M216 K358	F126-V130 PolarHBondContact O-N 2.81Å; V130-V214 HydrophobicContact CG1-CG1 4.32Å; V130-V214 HydrophobicContact CG2-CB 4.36Å; V130-V214 HydrophobicContact CG2-CG1 4.17Å; V130-M216 HydrophobicContact CG1-CB 4.45Å; V130-M216 HydrophobicContact CG1-CE 3.58Å; V130-M216 HydrophobicContact CG1-CG 3.79Å; V130-M216 HydrophobicContact CG1-SD 3.66Å; V130-M216 HydrophobicContact CG2-CE 4.16Å; V130-K358 VanDerWaalsContact C-NZ 3.29Å; V130-K358 WeakPolarHBondContact O-CE 3.49Å; V130-K358 PolarHBondContact O-NZ 3.45Å
131	S	91.4	Very high	85.7	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.014	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	142	166.1	-120.3	0	0	0	0	111	Q207 V214 M216	S131-Q207 PolarHBondContact OG-OE1 2.82Å; S131-V214 PolarHBondContact N-O 3.45Å; S131-M216 PolarHBondContact O-N 2.8Å
132	Y	92.1	Very high	86.2	Confident	3 Å²	3	47.3 Å²	47.3	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	126.3	-177.5	-167.1	-74.3	0	0	0	110.4	L97 D98 S101 R103 L134 M216 D218	L97-Y132 HydrophobicContact CB-CE2 3.87Å; L97-Y132 HydrophobicContact CD2-CE2 4.02Å; L97-Y132 HydrophobicContact CG-CE2 4.4Å; D98-Y132 VanDerWaalsContact OD1-CZ 3.24Å; D98-Y132 PolarHBondContact OD1-OH 3.24Å; S101-Y132 WeakPolarHBondContact OG-CD2 3.38Å; S101-Y132 WeakPolarHBondContact OG-CE2 3.42Å; R103-Y132 VanDerWaalsContact CZ-CB 3.49Å; Y132-L134 HydrophobicContact CD1-CD2 4.19Å; Y132-L134 HydrophobicContact CD1-CG 4.2Å; Y132-L134 HydrophobicContact CE1-CD2 3.77Å; Y132-L134 HydrophobicContact CE1-CG 4.17Å; Y132-M216 CarbonylContact C-O 3.51Å; Y132-M216 WeakPolarHBondContact CA-O 3.41Å; Y132-M216 HydrophobicContact CD2-CB 4.09Å; Y132-D218 HydrophobicContact CE1-CB 4.2Å
133	L	93.2	Very high	87	Confident	5 Å²	5	40.1 Å²	40.1	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	119.3	171.1	-165.7	75.3	0	0	0	109.4	R200 S203 I204 Q207 M216 L217 D218 P220	L133-R200 VanDerWaalsContact CD2-CZ 3.42Å; L133-S203 VanDerWaalsContact CD1-C 3.45Å; L133-S203 WeakPolarHBondContact CD1-O 3.24Å; L133-S203 WeakPolarHBondContact CD1-OG 3.43Å; L133-I204 HydrophobicContact CD2-CG1 3.69Å; L133-Q207 HydrophobicContact CD1-CG 4.07Å; L133-M216 PolarHBondContact N-O 3.07Å; L133-L217 HydrophobicContact CB-CB 4.19Å; L133-L217 HydrophobicContact CB-CD2 4.31Å; L133-L217 HydrophobicContact CB-CG 3.92Å; L133-L217 HydrophobicContact CD2-CB 4.41Å; L133-L217 HydrophobicContact CD2-CD2 3.6Å; L133-L217 HydrophobicContact CD2-CG 4.12Å; L133-D218 PolarHBondContact O-N 3.13Å; L133-P220 HydrophobicContact CD2-CB 4.5Å
134	L	90.6	Very high	88.1	Confident	36 Å²	36	32.1 Å²	32.1	19%	0.188	17%	0.174	C	C	.	.			trans	-71.7	159.9	176.4	-69.5	160.9	0	0	0	111.4	Y132 S136 R200 Q452	Y132-L134 HydrophobicContact CD1-CD2 4.19Å; Y132-L134 HydrophobicContact CD1-CG 4.2Å; Y132-L134 HydrophobicContact CE1-CD2 3.77Å; Y132-L134 HydrophobicContact CE1-CG 4.17Å; L134-S136 VanDerWaalsContact C-N 3.27Å; L134-S136 PolarHBondContact O-N 3.07Å; L134-R200 PolarHBondContact O-NH1 3.46Å; L134-R200 PolarHBondContact O-NH2 3.21Å; L134-Q452 HydrophobicContact CD1-CB 4.22Å; L134-Q452 HydrophobicContact CD1-CG 3.64Å
135	Q	88.8	Confident	89.1	Confident	98 Å²	98	27.7 Å²	27.7	46%	0.458	15%	0.15	S	C	.	.	S	Bend	trans	-59	-37.5	173.6	-172.7	-175.9	27.3	0	0	112.5	D218 E219	Q135-D218 WeakPolarHBondContact CA-O 3.44Å; Q135-E219 HydrophobicContact CG-CB 4.08Å; Q135-E219 PolarHBondContact NE2-OE2 3.1Å
136	S	85.2	Confident	89.9	Confident	76 Å²	76	29.1 Å²	29.1	53%	0.531	15%	0.153	S	C	.	.	S	Bend	trans	-106.7	137	-179.8	65	0	0	0	0	112.8	L134 Q452	L134-S136 VanDerWaalsContact C-N 3.27Å; L134-S136 PolarHBondContact O-N 3.07Å; S136-Q452 PolarHBondContact O-NE2 3.28Å
137	D	86.2	Confident	90.6	Very high	26 Å²	26	29.6 Å²	29.6	14%	0.139	16%	0.156	C	C	.	.			trans	-98.5	111.2	177.8	-59.8	-40.9	0	0	0	110	F139 R199 R200 S203	D137-F139 HydrophobicContact CB-CD2 4.4Å; D137-F139 HydrophobicContact CB-CE2 3.95Å; D137-R199 HydrophobicContact CB-CG 4.37Å; D137-R199 PolarHBondContact O-NE 3.31Å; D137-R199 PolarHBondContact O-NH2 3.29Å; D137-R200 IonicContact OD1-CZ 3.89Å; D137-R200 IonicContact OD1-NH1 2.84Å; D137-R200 PolarHBondContact OD1-NH1 3.31Å; D137-R200 WeakPolarHBondContact OD2-CD 3.31Å; D137-R200 IonicContact OD2-NH1 3.63Å; D137-R200 PolarHBondContact OD2-NH1 3.47Å; D137-S203 WeakPolarHBondContact OD1-CB 3.04Å; D137-S203 PolarHBondContact OD1-OG 2.81Å
138	V	89.3	Confident	91.5	Very high	43 Å²	43	25.4 Å²	25.4	26%	0.261	14%	0.136	S	C	.	.			trans	-110.8	114.8	175	-167.3	0	0	0	0	110	A448 V449 Q452	V138-A448 HydrophobicContact CG1-CB 4.19Å; V138-V449 HydrophobicContact CB-CG2 4.4Å; V138-V449 HydrophobicContact CG1-CG2 3.67Å; V138-Q452 VanDerWaalsContact CB-OE1 3.27Å; V138-Q452 VanDerWaalsContact N-OE1 3.15Å
139	F	92.6	Very high	92.3	Very high	18 Å²	18	21.2 Å²	21.2	8%	0.079	11%	0.114	C	C	.	.			trans	-122.7	159.8	176.5	-65.3	-65.7	0	0	0	111.8	D137 S141 T148 I186 R199 V202	D137-F139 HydrophobicContact CB-CD2 4.4Å; D137-F139 HydrophobicContact CB-CE2 3.95Å; F139-S141 PolarHBondContact O-N 3.41Å; F139-T148 HydrophobicContact CD1-CG2 3.85Å; F139-T148 HydrophobicContact CE1-CG2 4.23Å; F139-I186 HydrophobicContact CB-CD1 4.14Å; F139-I186 HydrophobicContact CB-CG2 4.01Å; F139-I186 HydrophobicContact CD2-CG2 4.26Å; F139-I186 HydrophobicContact CG-CD1 4.23Å; F139-I186 HydrophobicContact CG-CG2 4.42Å; F139-R199 HydrophobicContact CD2-CG 3.99Å; F139-R199 HydrophobicContact CE2-CG 3.98Å; F139-V202 HydrophobicContact CE1-CG1 4.29Å; F139-V202 HydrophobicContact CE2-CB 4.46Å; F139-V202 HydrophobicContact CE2-CG1 4.26Å; F139-V202 HydrophobicContact CZ-CB 4.41Å; F139-V202 HydrophobicContact CZ-CG1 3.92Å
140	L	92.4	Very high	92.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.			trans	-73.1	112.3	167.9	-63.7	-179.1	0	0	0	109.3	S142 L143 R375 N379 M445 L446 V449	L140-S142 VanDerWaalsContact C-N 3.28Å; L140-S142 PolarHBondContact O-N 3.4Å; L140-L143 HydrophobicContact CB-CD1 4Å; L140-L143 HydrophobicContact CB-CG 4.18Å; L140-L143 HydrophobicContact CD1-CD1 3.84Å; L140-L143 PolarHBondContact O-N 3.43Å; L140-R375 HydrophobicContact CD1-CG 3.93Å; L140-N379 HydrophobicContact CD1-CB 4.21Å; L140-M445 HydrophobicContact CD2-CG 4.42Å; L140-M445 HydrophobicContact CD2-SD 3.53Å; L140-M445 VanDerWaalsContact CD2-SD 3.53Å; L140-L446 HydrophobicContact CD2-CD1 4.09Å; L140-L446 HydrophobicContact CD2-CG 4.31Å; L140-V449 HydrophobicContact CD2-CG2 4.08Å; L140-V449 HydrophobicContact CG-CG2 4.48Å
141	S	91	Very high	93.1	Very high	20 Å²	20	24.8 Å²	24.8	14%	0.14	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-21.4	-168	56	0	0	0	0	115.4	F139 G187 M445	F139-S141 PolarHBondContact O-N 3.41Å; S141-G187 WeakPolarHBondContact CA-O 3.32Å; S141-G187 VanDerWaalsContact CB-O 3.23Å; S141-G187 WeakPolarHBondContact CB-O 3.33Å; S141-G187 WeakPolarHBondContact O-CA 3.47Å; S141-G187 PolarHBondContact O-N 2.88Å; S141-M445 WeakPolarHBondContact OG-CE 3.23Å
142	S	93.1	Very high	93.2	Very high	12 Å²	12	25 Å²	25	8%	0.084	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	3.4	-176.4	77	0	0	0	0	114.5	L140 N379 R382	L140-S142 VanDerWaalsContact C-N 3.28Å; L140-S142 PolarHBondContact O-N 3.4Å; S142-N379 WeakPolarHBondContact OG-CA 3.36Å; S142-N379 VanDerWaalsContact OG-CG 3.27Å; S142-N379 PolarHBondContact OG-O 2.82Å; S142-N379 PolarHBondContact OG-OD1 3.37Å; S142-R382 WeakPolarHBondContact O-CD 3.26Å; S142-R382 PolarHBondContact O-NH1 3.32Å
143	L	95.4	Very high	93.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-94.8	154.5	174.4	-61.3	-176.8	0	0	0	110.9	L140 T148 Y151 I186 R375 R378 N379	L140-L143 HydrophobicContact CB-CD1 4Å; L140-L143 HydrophobicContact CB-CG 4.18Å; L140-L143 HydrophobicContact CD1-CD1 3.84Å; L140-L143 PolarHBondContact O-N 3.43Å; L143-T148 WeakPolarHBondContact CB-OG1 3.31Å; L143-Y151 HydrophobicContact CD1-CD2 4.09Å; L143-Y151 HydrophobicContact CD1-CE2 4.22Å; L143-Y151 HydrophobicContact CD2-CE2 4.47Å; L143-I186 PolarHBondContact O-N 2.94Å; L143-R375 HydrophobicContact CD1-CG 3.79Å; L143-R378 HydrophobicContact CD2-CB 4.34Å; L143-R378 HydrophobicContact CD2-CG 4.15Å; L143-N379 HydrophobicContact CD2-CB 4.24Å; L143-N379 HydrophobicContact CG-CB 4.35Å
144	T	96.4	Very high	93.3	Very high	10 Å²	10	25.8 Å²	25.8	6%	0.061	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-77.9	164.8	170.4	60.6	0	0	0	0	111.2	E147 T148 D183 Q184	T144-E147 PolarHBondContact N-OE2 2.89Å; T144-E147 PolarHBondContact O-N 2.78Å; T144-E147 VanDerWaalsContact OG1-CB 3.25Å; T144-E147 WeakPolarHBondContact OG1-CB 3.28Å; T144-E147 WeakPolarHBondContact OG1-CG 3.33Å; T144-E147 PolarHBondContact OG1-N 2.77Å; T144-E147 PolarHBondContact OG1-OE2 3.14Å; T144-T148 WeakPolarHBondContact O-CB 3.4Å; T144-T148 PolarHBondContact O-N 3.29Å; T144-T148 PolarHBondContact O-OG1 3.26Å; T144-D183 WeakPolarHBondContact CG2-O 3.35Å; T144-Q184 WeakPolarHBondContact CA-O 3.16Å; T144-Q184 WeakPolarHBondContact CB-O 3.49Å
145	V	97.2	Very high	93.4	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.7	-52.9	174.7	178.2	0	0	0	0	110.5	E147 T148 L149 L173 A182 Q184 I186 I194 V202	V145-E147 VanDerWaalsContact C-N 3.34Å; V145-E147 PolarHBondContact O-N 2.89Å; V145-T148 PolarHBondContact O-N 2.84Å; V145-L149 HydrophobicContact CG1-CD1 4.09Å; V145-L149 WeakPolarHBondContact O-CG 3.34Å; V145-L149 PolarHBondContact O-N 3.28Å; V145-L173 HydrophobicContact CG1-CD2 3.83Å; V145-A182 PolarHBondContact N-O 2.66Å; V145-Q184 PolarHBondContact N-O 3.06Å; V145-I186 HydrophobicContact CG2-CG1 3.98Å; V145-I194 HydrophobicContact CG2-CD1 4.02Å; V145-I194 HydrophobicContact CG2-CG2 4.1Å; V145-V202 HydrophobicContact CB-CG2 4.34Å; V145-V202 HydrophobicContact CG1-CB 4.47Å; V145-V202 HydrophobicContact CG1-CG1 4.15Å; V145-V202 HydrophobicContact CG1-CG2 3.47Å; V145-V202 VanDerWaalsContact CG1-CG2 3.47Å; V145-V202 HydrophobicContact CG2-CG2 3.96Å
146	R	97.6	Very high	93.4	Very high	68 Å²	68	19.9 Å²	19.9	26%	0.257	11%	0.105	S	C	.	.	H	α-helix	trans	-58.9	-43.4	179.8	179.1	177.7	-79.3	154.5	-5.5	111.9	R150 V169 E170 L173 A182 D183	R146-R150 WeakPolarHBondContact O-CB 3.44Å; R146-R150 PolarHBondContact O-N 2.76Å; R146-V169 HydrophobicContact CG-CG1 4.19Å; R146-E170 IonicContact CZ-OE2 3.12Å; R146-E170 IonicContact NE-OE2 3.99Å; R146-E170 PolarHBondContact NE-OE2 3.23Å; R146-E170 VanDerWaalsContact NH2-CD 3.32Å; R146-E170 IonicContact NH2-OE1 3.49Å; R146-E170 PolarHBondContact NH2-OE1 3.36Å; R146-E170 IonicContact NH2-OE2 2.66Å; R146-E170 PolarHBondContact NH2-OE2 3.06Å; R146-L173 HydrophobicContact CB-CD1 4.37Å; R146-A182 HydrophobicContact CB-CB 4.44Å; R146-A182 VanDerWaalsContact CB-O 3.24Å; R146-A182 WeakPolarHBondContact CB-O 3.44Å; R146-A182 PolarHBondContact N-O 3.14Å; R146-D183 IonicContact CZ-OD1 3.85Å; R146-D183 IonicContact CZ-OD2 3.04Å; R146-D183 IonicContact NE-OD1 2.66Å; R146-D183 IonicContact NH1-OD1 3.07Å; R146-D183 PolarHBondContact NH1-OD1 3.39Å; R146-D183 IonicContact NH1-OD2 3.88Å; R146-D183 PolarHBondContact NH1-OD2 3.16Å
147	E	96.9	Very high	93.5	Very high	23 Å²	23	16.7 Å²	16.7	11%	0.107	8%	0.082	C	C	.	.	H	α-helix	trans	-64.6	-43	177.8	-74.3	162.5	161.6	0	0	112.2	T144 V145 R150 Y151 R378 R382	T144-E147 PolarHBondContact N-OE2 2.89Å; T144-E147 PolarHBondContact O-N 2.78Å; T144-E147 VanDerWaalsContact OG1-CB 3.25Å; T144-E147 WeakPolarHBondContact OG1-CB 3.28Å; T144-E147 WeakPolarHBondContact OG1-CG 3.33Å; T144-E147 PolarHBondContact OG1-N 2.77Å; T144-E147 PolarHBondContact OG1-OE2 3.14Å; V145-E147 VanDerWaalsContact C-N 3.34Å; V145-E147 PolarHBondContact O-N 2.89Å; E147-R150 PolarHBondContact O-N 3.39Å; E147-Y151 HydrophobicContact CB-CD2 4.37Å; E147-Y151 HydrophobicContact CB-CE2 4.19Å; E147-Y151 WeakPolarHBondContact O-CD2 3.5Å; E147-Y151 PolarHBondContact O-N 2.89Å; E147-R378 IonicContact OE1-CZ 2.86Å; E147-R378 IonicContact OE1-NE 3.78Å; E147-R378 PolarHBondContact OE1-NE 3.41Å; E147-R378 IonicContact OE1-NH2 2.83Å; E147-R378 PolarHBondContact OE1-NH2 2.87Å; E147-R378 IonicContact OE2-NE 3.88Å; E147-R382 IonicContact OE1-CZ 3.94Å; E147-R382 IonicContact OE1-NH1 2.72Å; E147-R382 PolarHBondContact OE1-NH1 3.38Å; E147-R382 IonicContact OE1-NH2 3.3Å; E147-R382 PolarHBondContact OE1-NH2 3.35Å; E147-R382 IonicContact OE2-CZ 2.61Å; E147-R382 IonicContact OE2-NH1 3.65Å; E147-R382 PolarHBondContact OE2-NH1 3.48Å; E147-R382 IonicContact OE2-NH2 3.84Å
148	T	96.7	Very high	93.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61	-48.6	179.2	-60.6	0	0	0	0	110.2	F139 L143 T144 V145 R150 Y151 T152 I186	F139-T148 HydrophobicContact CD1-CG2 3.85Å; F139-T148 HydrophobicContact CE1-CG2 4.23Å; L143-T148 WeakPolarHBondContact CB-OG1 3.31Å; T144-T148 WeakPolarHBondContact O-CB 3.4Å; T144-T148 PolarHBondContact O-N 3.29Å; T144-T148 PolarHBondContact O-OG1 3.26Å; V145-T148 PolarHBondContact O-N 2.84Å; T148-R150 PolarHBondContact O-N 3.18Å; T148-Y151 PolarHBondContact O-N 3.46Å; T148-T152 PolarHBondContact O-N 2.87Å; T148-T152 PolarHBondContact O-OG1 3.01Å; T148-I186 HydrophobicContact CG2-CD1 3.97Å; T148-I186 WeakPolarHBondContact OG1-CD1 3.43Å
149	L	96.8	Very high	93	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.1	-40.6	176	-64.6	179	0	0	0	112.4	V145 Y151 T152 A153 V169 L173 V202 A205 A206 L209	V145-L149 HydrophobicContact CG1-CD1 4.09Å; V145-L149 WeakPolarHBondContact O-CG 3.34Å; V145-L149 PolarHBondContact O-N 3.28Å; L149-Y151 PolarHBondContact O-N 2.76Å; L149-T152 PolarHBondContact O-N 3.01Å; L149-A153 VanDerWaalsContact O-CB 3.32Å; L149-A153 WeakPolarHBondContact O-CB 3.47Å; L149-A153 PolarHBondContact O-N 3.29Å; L149-V169 HydrophobicContact CB-CG1 3.85Å; L149-V169 HydrophobicContact CB-CG2 4.17Å; L149-V169 HydrophobicContact CD1-CG1 4.4Å; L149-L173 HydrophobicContact CD1-CD2 3.63Å; L149-L173 HydrophobicContact CD1-CG 3.95Å; L149-V202 HydrophobicContact CD2-CG1 4.36Å; L149-A205 HydrophobicContact CD1-CB 3.88Å; L149-A205 HydrophobicContact CD2-CB 3.64Å; L149-A205 HydrophobicContact CG-CB 4.42Å; L149-A206 HydrophobicContact CD2-CB 4.19Å; L149-L209 HydrophobicContact CB-CD1 4.17Å; L149-L209 HydrophobicContact CD2-CD1 4.08Å; L149-L209 VanDerWaalsContact O-CD1 3.27Å; L149-L209 WeakPolarHBondContact O-CD1 3.43Å
150	R	96.2	Very high	91.9	Very high	69 Å²	69	29.1 Å²	29.1	26%	0.26	15%	0.148	S	C	.	.	H	α-helix	trans	-61.6	-43.6	176	-175.1	176.6	-177.2	140.7	22.5	112	R146 E147 T148 A153 M154 A162 D166 V169	R146-R150 WeakPolarHBondContact O-CB 3.44Å; R146-R150 PolarHBondContact O-N 2.76Å; E147-R150 PolarHBondContact O-N 3.39Å; T148-R150 PolarHBondContact O-N 3.18Å; R150-A153 PolarHBondContact O-N 2.96Å; R150-M154 HydrophobicContact CG-CE 3.83Å; R150-M154 HydrophobicContact CG-SD 4.37Å; R150-M154 WeakPolarHBondContact O-CB 3.24Å; R150-M154 VanDerWaalsContact O-CG 3.28Å; R150-M154 WeakPolarHBondContact O-CG 3.43Å; R150-M154 PolarHBondContact O-N 2.97Å; R150-A162 PolarHBondContact NH2-O 3.04Å; R150-D166 WeakPolarHBondContact CD-OD1 3.47Å; R150-D166 IonicContact CZ-OD1 2.66Å; R150-D166 IonicContact CZ-OD2 2.9Å; R150-D166 IonicContact NE-OD1 3.33Å; R150-D166 PolarHBondContact NE-OD1 3.41Å; R150-D166 IonicContact NH1-OD1 2.8Å; R150-D166 PolarHBondContact NH1-OD1 3.48Å; R150-D166 IonicContact NH1-OD2 2.73Å; R150-D166 PolarHBondContact NH1-OD2 3.17Å; R150-D166 IonicContact NH2-OD1 3.61Å; R150-D166 PolarHBondContact NH2-OD1 3.44Å; R150-D166 IonicContact NH2-OD2 3.6Å; R150-D166 PolarHBondContact NH2-OD2 3.28Å; R150-V169 HydrophobicContact CB-CG2 4.34Å
151	Y	95.9	Very high	91.6	Very high	12 Å²	12	32 Å²	32	5%	0.047	17%	0.168	C	C	.	.	H	α-helix	trans	-65.8	-42.8	175.9	-73.2	-56.3	0	0	0	111.9	L143 E147 T148 L149 A153 M154 L155 V371 R374 R375 R378	L143-Y151 HydrophobicContact CD1-CD2 4.09Å; L143-Y151 HydrophobicContact CD1-CE2 4.22Å; L143-Y151 HydrophobicContact CD2-CE2 4.47Å; E147-Y151 HydrophobicContact CB-CD2 4.37Å; E147-Y151 HydrophobicContact CB-CE2 4.19Å; E147-Y151 WeakPolarHBondContact O-CD2 3.5Å; E147-Y151 PolarHBondContact O-N 2.89Å; T148-Y151 PolarHBondContact O-N 3.46Å; L149-Y151 PolarHBondContact O-N 2.76Å; Y151-A153 VanDerWaalsContact C-N 3.33Å; Y151-A153 PolarHBondContact O-N 3.35Å; Y151-M154 PolarHBondContact O-N 3.49Å; Y151-L155 VanDerWaalsContact O-CG 3.28Å; Y151-L155 WeakPolarHBondContact O-CG 3.4Å; Y151-L155 PolarHBondContact O-N 2.97Å; Y151-V371 HydrophobicContact CD1-CG1 3.85Å; Y151-R374 HydrophobicContact CE1-CG 4.36Å; Y151-R375 HydrophobicContact CD1-CB 3.91Å; Y151-R375 HydrophobicContact CD1-CG 4.35Å; Y151-R375 HydrophobicContact CD2-CB 4.03Å; Y151-R375 HydrophobicContact CD2-CG 3.65Å; Y151-R375 HydrophobicContact CE1-CB 3.99Å; Y151-R375 HydrophobicContact CE2-CB 4.12Å; Y151-R375 HydrophobicContact CE2-CG 4.01Å; Y151-R375 HydrophobicContact CG-CB 3.94Å; Y151-R375 HydrophobicContact CG-CG 3.86Å; Y151-R378 WeakPolarHBondContact OH-CD 3.32Å
152	T	94.3	Very high	91.4	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.043	18%	0.184	C	C	.	.	H	α-helix	trans	-60.8	-43.6	175	-55.9	0	0	0	0	111.2	T148 L149 M154 L155 A156 A206 L209 L458	T148-T152 PolarHBondContact O-N 2.87Å; T148-T152 PolarHBondContact O-OG1 3.01Å; L149-T152 PolarHBondContact O-N 3.01Å; T152-M154 PolarHBondContact O-N 2.84Å; T152-L155 PolarHBondContact O-N 2.79Å; T152-A156 WeakPolarHBondContact O-CB 3.39Å; T152-A156 PolarHBondContact O-N 2.91Å; T152-A206 HydrophobicContact CG2-CB 4.3Å; T152-L209 HydrophobicContact CG2-CD1 4.11Å; T152-L458 HydrophobicContact CG2-CD1 4.08Å; T152-L458 HydrophobicContact CG2-CD2 4.13Å
153	A	93.1	Very high	91.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.3	-43.6	176.6	0	0	0	0	0	111.9	L149 R150 Y151 L155 A156 L157 Y165 V169 L209	L149-A153 VanDerWaalsContact O-CB 3.32Å; L149-A153 WeakPolarHBondContact O-CB 3.47Å; L149-A153 PolarHBondContact O-N 3.29Å; R150-A153 PolarHBondContact O-N 2.96Å; Y151-A153 VanDerWaalsContact C-N 3.33Å; Y151-A153 PolarHBondContact O-N 3.35Å; A153-L155 VanDerWaalsContact C-N 3.28Å; A153-L155 PolarHBondContact O-N 3.29Å; A153-A156 PolarHBondContact O-N 3.09Å; A153-L157 WeakPolarHBondContact O-CB 3.41Å; A153-L157 PolarHBondContact O-N 3.43Å; A153-Y165 HydrophobicContact CB-CD1 4.04Å; A153-V169 HydrophobicContact CB-CG2 4.18Å; A153-L209 HydrophobicContact CB-CD1 4.1Å; A153-L209 HydrophobicContact CB-CD2 4.2Å
154	M	92.9	Very high	91.2	Very high	23 Å²	23	41.2 Å²	41.2	11%	0.113	22%	0.219	C	C	.	.	H	α-helix	trans	-66.4	-26.7	176.6	-73.7	177.6	177.2	0	0	113.6	R150 Y151 T152 Y165 V371	R150-M154 HydrophobicContact CG-CE 3.83Å; R150-M154 HydrophobicContact CG-SD 4.37Å; R150-M154 WeakPolarHBondContact O-CB 3.24Å; R150-M154 VanDerWaalsContact O-CG 3.28Å; R150-M154 WeakPolarHBondContact O-CG 3.43Å; R150-M154 PolarHBondContact O-N 2.97Å; Y151-M154 PolarHBondContact O-N 3.49Å; T152-M154 PolarHBondContact O-N 2.84Å; M154-Y165 HydrophobicContact CB-CE1 4.49Å; M154-Y165 HydrophobicContact CE-CD2 4.08Å; M154-Y165 HydrophobicContact CE-CG 4.4Å; M154-Y165 HydrophobicContact CG-CD1 4.02Å; M154-Y165 HydrophobicContact CG-CD2 4.14Å; M154-Y165 HydrophobicContact CG-CE1 4.11Å; M154-Y165 HydrophobicContact CG-CE2 4.24Å; M154-Y165 HydrophobicContact CG-CG 4.02Å; M154-V371 HydrophobicContact CB-CG1 3.93Å; M154-V371 HydrophobicContact CB-CG2 4.2Å
155	L	92.3	Very high	91	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-84.3	-32.3	177.1	-71.1	167.3	0	0	0	112.3	Y151 T152 A153 P363 K368 V371 L372 L458 Y459	Y151-L155 VanDerWaalsContact O-CG 3.28Å; Y151-L155 WeakPolarHBondContact O-CG 3.4Å; Y151-L155 PolarHBondContact O-N 2.97Å; T152-L155 PolarHBondContact O-N 2.79Å; A153-L155 VanDerWaalsContact C-N 3.28Å; A153-L155 PolarHBondContact O-N 3.29Å; L155-P363 WeakPolarHBondContact O-CD 3.01Å; L155-P363 WeakPolarHBondContact O-CG 3.45Å; L155-K368 HydrophobicContact CD2-CB 4.12Å; L155-K368 HydrophobicContact CD2-CG 4.29Å; L155-V371 HydrophobicContact CD2-CB 4.11Å; L155-V371 HydrophobicContact CD2-CG1 4.05Å; L155-V371 HydrophobicContact CG-CG1 3.98Å; L155-L372 HydrophobicContact CD2-CD1 4.25Å; L155-L372 HydrophobicContact CD2-CG 4.14Å; L155-L458 HydrophobicContact CB-CD2 4.22Å; L155-Y459 HydrophobicContact CD1-CD1 3.98Å; L155-Y459 HydrophobicContact CD1-CE1 3.96Å; L155-Y459 HydrophobicContact CD2-CD1 4.39Å
156	A	88.8	Confident	90.9	Very high	11 Å²	11	44 Å²	44	9%	0.091	23%	0.232	C	C	.	.	H	α-helix	trans	-81.5	-41.8	179.7	0	0	0	0	0	112.9	T152 A153 Q210 L458	T152-A156 WeakPolarHBondContact O-CB 3.39Å; T152-A156 PolarHBondContact O-N 2.91Å; A153-A156 PolarHBondContact O-N 3.09Å; A156-Q210 HydrophobicContact CB-CG 4.04Å; A156-L458 HydrophobicContact CB-CD2 3.66Å
157	L	88.1	Confident	90.8	Very high	8 Å²	8	47.1 Å²	47.1	4%	0.042	25%	0.248	C	C	.	.			trans	-113.4	139.8	-166.4	-54	174.8	0	0	0	111.2	A153 F164 Y165 K168 T359	A153-L157 WeakPolarHBondContact O-CB 3.41Å; A153-L157 PolarHBondContact O-N 3.43Å; L157-F164 HydrophobicContact CD1-CE1 4.15Å; L157-Y165 HydrophobicContact CB-CE1 4.14Å; L157-Y165 PolarHBondContact O-OH 2.86Å; L157-K168 HydrophobicContact CD1-CD 3.6Å; L157-T359 HydrophobicContact CD2-CG2 3.47Å; L157-T359 VanDerWaalsContact CD2-CG2 3.47Å; L157-T359 VanDerWaalsContact CD2-OG1 3.26Å; L157-T359 WeakPolarHBondContact CD2-OG1 3.46Å
158	R	83.6	Confident	90.6	Very high	177 Å²	177	47.5 Å²	47.5	67%	0.668	25%	0.249	S	C	*	.			trans	-95	113.2	166.2	-174.4	176.2	-179.6	155.5	-1.4	110	N361	R158-N361 HydrophobicContact CB-CB 4.29Å; R158-N361 WeakPolarHBondContact CB-O 3.42Å; R158-N361 PolarHBondContact N-O 2.88Å
159	S	80.9	Confident	90.6	Very high	36 Å²	36	47.6 Å²	47.6	25%	0.252	25%	0.249	S	C	.	.			trans	-141	148.5	169.3	-175.7	0	0	0	0	111.2	F164 Y165	S159-F164 WeakPolarHBondContact OG-CD1 3.47Å; S159-F164 WeakPolarHBondContact OG-CG 3.31Å; S159-Y165 PolarHBondContact N-OH 2.83Å; S159-Y165 PolarHBondContact O-OH 3.31Å
160	S	70	Confident	90.6	Very high	136 Å²	136	50.7 Å²	50.7	95%	0.951	26%	0.264	S	S	*	.	S	Bend	trans	-81.1	-25.3	-178.7	-51.8	0	0	0	0	113
161	S	85.4	Confident	90.6	Very high	59 Å²	59	50.1 Å²	50.1	41%	0.413	27%	0.274	S	S	.	.			trans	-103.8	132	-175	61.8	0	0	0	0	112.2	D163 F164 Y165	S161-D163 PolarHBondContact O-N 3.5Å; S161-F164 WeakPolarHBondContact O-CB 3.48Å; S161-F164 PolarHBondContact O-N 3.15Å; S161-F164 VanDerWaalsContact OG-CB 3.22Å; S161-F164 WeakPolarHBondContact OG-CB 3.32Å; S161-Y165 WeakPolarHBondContact O-CD2 3.25Å
162	A	87.6	Confident	90.6	Very high	58 Å²	58	49.8 Å²	49.8	48%	0.479	27%	0.274	S	S	.	.	H	α-helix	trans	-62.4	-35.4	174.9	0	0	0	0	0	112.1	R150 F164 Y165 D166	R150-A162 PolarHBondContact NH2-O 3.04Å; A162-F164 VanDerWaalsContact C-N 3.3Å; A162-F164 PolarHBondContact O-N 3.4Å; A162-Y165 PolarHBondContact O-N 2.84Å; A162-D166 PolarHBondContact O-N 3.29Å
163	D	91.7	Very high	90.7	Very high	84 Å²	84	49.5 Å²	49.5	45%	0.449	27%	0.272	S	S	.	.	H	α-helix	trans	-64.2	-30.5	179	-174.2	50.5	0	0	0	112.9	S161 Y165 D166 K167	S161-D163 PolarHBondContact O-N 3.5Å; D163-Y165 VanDerWaalsContact C-N 3.35Å; D163-Y165 PolarHBondContact O-N 3.43Å; D163-D166 PolarHBondContact O-N 3.38Å; D163-K167 WeakPolarHBondContact O-CG 3.46Å; D163-K167 PolarHBondContact O-N 2.98Å; D163-K167 WeakPolarHBondContact OD2-CE 3.4Å; D163-K167 IonicContact OD2-NZ 2.7Å; D163-K167 PolarHBondContact OD2-NZ 3.32Å
164	F	92.1	Very high	90.8	Very high	85 Å²	85	53.5 Å²	53.5	37%	0.373	30%	0.296	S	S	.	.	H	α-helix	trans	-61.3	-43.9	175	171.4	-94.5	0	0	0	111.9	L157 S159 S161 A162 D166 K168	L157-F164 HydrophobicContact CD1-CE1 4.15Å; S159-F164 WeakPolarHBondContact OG-CD1 3.47Å; S159-F164 WeakPolarHBondContact OG-CG 3.31Å; S161-F164 WeakPolarHBondContact O-CB 3.48Å; S161-F164 PolarHBondContact O-N 3.15Å; S161-F164 VanDerWaalsContact OG-CB 3.22Å; S161-F164 WeakPolarHBondContact OG-CB 3.32Å; A162-F164 VanDerWaalsContact C-N 3.3Å; A162-F164 PolarHBondContact O-N 3.4Å; F164-D166 VanDerWaalsContact C-N 3.32Å; F164-D166 PolarHBondContact O-N 2.99Å; F164-K168 HydrophobicContact CE1-CD 4.45Å; F164-K168 HydrophobicContact CZ-CD 4.32Å; F164-K168 WeakPolarHBondContact O-CB 3.5Å; F164-K168 PolarHBondContact O-N 3.4Å
165	Y	92.9	Very high	90.8	Very high	20 Å²	20	54.3 Å²	54.3	8%	0.078	30%	0.3	C	S	.	.	H	α-helix	trans	-65.3	-40.4	178.4	-59.2	-74.8	0	0	0	111.1	A153 M154 L157 S159 S161 A162 D163 K168 V169	A153-Y165 HydrophobicContact CB-CD1 4.04Å; M154-Y165 HydrophobicContact CB-CE1 4.49Å; M154-Y165 HydrophobicContact CE-CD2 4.08Å; M154-Y165 HydrophobicContact CE-CG 4.4Å; M154-Y165 HydrophobicContact CG-CD1 4.02Å; M154-Y165 HydrophobicContact CG-CD2 4.14Å; M154-Y165 HydrophobicContact CG-CE1 4.11Å; M154-Y165 HydrophobicContact CG-CE2 4.24Å; M154-Y165 HydrophobicContact CG-CG 4.02Å; L157-Y165 HydrophobicContact CB-CE1 4.14Å; L157-Y165 PolarHBondContact O-OH 2.86Å; S159-Y165 PolarHBondContact N-OH 2.83Å; S159-Y165 PolarHBondContact O-OH 3.31Å; S161-Y165 WeakPolarHBondContact O-CD2 3.25Å; A162-Y165 PolarHBondContact O-N 2.84Å; D163-Y165 VanDerWaalsContact C-N 3.35Å; D163-Y165 PolarHBondContact O-N 3.43Å; Y165-K168 PolarHBondContact O-N 3.26Å; Y165-V169 WeakPolarHBondContact O-CB 3.09Å; Y165-V169 WeakPolarHBondContact O-CG2 3.24Å; Y165-V169 PolarHBondContact O-N 3.34Å
166	D	94.7	Very high	90.8	Very high	47 Å²	47	54.3 Å²	54.3	25%	0.251	30%	0.3	S	S	.	.	H	α-helix	trans	-66.3	-46.1	-178.6	-70.1	-28.8	0	0	0	111.7	R150 A162 D163 F164 K168 V169 E170	R150-D166 WeakPolarHBondContact CD-OD1 3.47Å; R150-D166 IonicContact CZ-OD1 2.66Å; R150-D166 IonicContact CZ-OD2 2.9Å; R150-D166 IonicContact NE-OD1 3.33Å; R150-D166 PolarHBondContact NE-OD1 3.41Å; R150-D166 IonicContact NH1-OD1 2.8Å; R150-D166 PolarHBondContact NH1-OD1 3.48Å; R150-D166 IonicContact NH1-OD2 2.73Å; R150-D166 PolarHBondContact NH1-OD2 3.17Å; R150-D166 IonicContact NH2-OD1 3.61Å; R150-D166 PolarHBondContact NH2-OD1 3.44Å; R150-D166 IonicContact NH2-OD2 3.6Å; R150-D166 PolarHBondContact NH2-OD2 3.28Å; A162-D166 PolarHBondContact O-N 3.29Å; D163-D166 PolarHBondContact O-N 3.38Å; F164-D166 VanDerWaalsContact C-N 3.32Å; F164-D166 PolarHBondContact O-N 2.99Å; D166-K168 VanDerWaalsContact C-N 3.33Å; D166-K168 PolarHBondContact O-N 3Å; D166-V169 PolarHBondContact O-N 3.41Å; D166-E170 WeakPolarHBondContact O-CB 3.26Å; D166-E170 PolarHBondContact O-N 3.35Å
167	K	95.1	Very high	91	Very high	135 Å²	135	57.1 Å²	57.1	59%	0.587	32%	0.318	S	S	*	.	H	α-helix	trans	-60.4	-42	174.7	-75.1	173.2	173.7	163	0	112.5	D163 E170 A171	D163-K167 WeakPolarHBondContact O-CG 3.46Å; D163-K167 PolarHBondContact O-N 2.98Å; D163-K167 WeakPolarHBondContact OD2-CE 3.4Å; D163-K167 IonicContact OD2-NZ 2.7Å; D163-K167 PolarHBondContact OD2-NZ 3.32Å; K167-E170 PolarHBondContact O-N 3.12Å; K167-A171 WeakPolarHBondContact O-CB 3.13Å; K167-A171 PolarHBondContact O-N 2.82Å
168	K	93.7	Very high	91.4	Very high	31 Å²	31	56.7 Å²	56.7	14%	0.135	32%	0.317	C	S	.	.	H	α-helix	trans	-68.1	-42.1	179.3	-167.9	168.8	-168.3	178.8	0	112.1	L157 F164 Y165 D166 E170 A171 V172 L209 D211	L157-K168 HydrophobicContact CD1-CD 3.6Å; F164-K168 HydrophobicContact CE1-CD 4.45Å; F164-K168 HydrophobicContact CZ-CD 4.32Å; F164-K168 WeakPolarHBondContact O-CB 3.5Å; F164-K168 PolarHBondContact O-N 3.4Å; Y165-K168 PolarHBondContact O-N 3.26Å; D166-K168 VanDerWaalsContact C-N 3.33Å; D166-K168 PolarHBondContact O-N 3Å; K168-E170 VanDerWaalsContact C-N 3.33Å; K168-A171 PolarHBondContact O-N 3.48Å; K168-V172 WeakPolarHBondContact O-CG2 3.48Å; K168-V172 PolarHBondContact O-N 3.21Å; K168-V172 VanDerWaalsContact O-N 3.14Å; K168-L209 WeakPolarHBondContact CE-O 3.33Å; K168-L209 PolarHBondContact NZ-O 3.26Å; K168-D211 WeakPolarHBondContact CE-OD2 3.26Å; K168-D211 IonicContact NZ-OD2 3.87Å; K168-D211 PolarHBondContact NZ-OD2 3.42Å
169	V	96.7	Very high	91.9	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-62.5	-43.2	175.4	169.2	0	0	0	0	110.5	R146 L149 R150 A153 Y165 D166 A171 V172 L173 L209	R146-V169 HydrophobicContact CG-CG1 4.19Å; L149-V169 HydrophobicContact CB-CG1 3.85Å; L149-V169 HydrophobicContact CB-CG2 4.17Å; L149-V169 HydrophobicContact CD1-CG1 4.4Å; R150-V169 HydrophobicContact CB-CG2 4.34Å; A153-V169 HydrophobicContact CB-CG2 4.18Å; Y165-V169 WeakPolarHBondContact O-CB 3.09Å; Y165-V169 WeakPolarHBondContact O-CG2 3.24Å; Y165-V169 PolarHBondContact O-N 3.34Å; D166-V169 PolarHBondContact O-N 3.41Å; V169-A171 PolarHBondContact O-N 3.46Å; V169-V172 PolarHBondContact O-N 3.21Å; V169-L173 HydrophobicContact CG1-CD1 3.77Å; V169-L173 HydrophobicContact CG1-CG 4.24Å; V169-L173 WeakPolarHBondContact O-CB 3.21Å; V169-L173 VanDerWaalsContact O-CG 3.31Å; V169-L173 WeakPolarHBondContact O-CG 3.37Å; V169-L173 PolarHBondContact O-N 3.11Å; V169-L209 HydrophobicContact CG2-CD2 4.09Å
170	E	97.1	Very high	92.6	Very high	65 Å²	65	55.1 Å²	55.1	30%	0.304	32%	0.318	S	S	.	.	H	α-helix	trans	-66.1	-38.4	179.4	-157.6	64.9	-169.2	0	0	112.6	R146 D166 K167 K168 V172 L173 T174	R146-E170 IonicContact CZ-OE2 3.12Å; R146-E170 IonicContact NE-OE2 3.99Å; R146-E170 PolarHBondContact NE-OE2 3.23Å; R146-E170 VanDerWaalsContact NH2-CD 3.32Å; R146-E170 IonicContact NH2-OE1 3.49Å; R146-E170 PolarHBondContact NH2-OE1 3.36Å; R146-E170 IonicContact NH2-OE2 2.66Å; R146-E170 PolarHBondContact NH2-OE2 3.06Å; D166-E170 WeakPolarHBondContact O-CB 3.26Å; D166-E170 PolarHBondContact O-N 3.35Å; K167-E170 PolarHBondContact O-N 3.12Å; K168-E170 VanDerWaalsContact C-N 3.33Å; E170-V172 PolarHBondContact O-N 3.4Å; E170-L173 PolarHBondContact O-N 2.92Å; E170-T174 WeakPolarHBondContact O-CB 3.4Å; E170-T174 PolarHBondContact O-N 3.41Å; E170-T174 PolarHBondContact O-OG1 3.47Å
171	A	95.3	Very high	93.8	Very high	58 Å²	58	48.9 Å²	48.9	48%	0.479	27%	0.274	S	S	.	.	H	α-helix	trans	-58.8	-46.8	173.3	0	0	0	0	0	111.6	K167 K168 V169 T174 E175	K167-A171 WeakPolarHBondContact O-CB 3.13Å; K167-A171 PolarHBondContact O-N 2.82Å; K168-A171 PolarHBondContact O-N 3.48Å; V169-A171 PolarHBondContact O-N 3.46Å; A171-T174 PolarHBondContact O-N 2.99Å; A171-E175 WeakPolarHBondContact O-CB 3.33Å; A171-E175 PolarHBondContact O-N 3.1Å
172	V	95.6	Very high	94.3	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.03	26%	0.255	C	S	.	.	H	α-helix	trans	-68.3	-38.5	178.4	174.9	0	0	0	0	111.8	K168 V169 E170 T174 E175 L176 A205 L208 L209	K168-V172 WeakPolarHBondContact O-CG2 3.48Å; K168-V172 PolarHBondContact O-N 3.21Å; K168-V172 VanDerWaalsContact O-N 3.14Å; V169-V172 PolarHBondContact O-N 3.21Å; E170-V172 PolarHBondContact O-N 3.4Å; V172-T174 VanDerWaalsContact C-N 3.3Å; V172-T174 PolarHBondContact O-N 3.29Å; V172-E175 PolarHBondContact O-N 3.2Å; V172-L176 HydrophobicContact CG1-CD1 4.04Å; V172-L176 PolarHBondContact O-N 3.15Å; V172-A205 HydrophobicContact CG1-CB 3.69Å; V172-L208 HydrophobicContact CG1-CB 4.11Å; V172-L208 HydrophobicContact CG2-CB 4.41Å; V172-L209 HydrophobicContact CB-CD2 4.41Å; V172-L209 HydrophobicContact CG2-CD2 4.01Å
173	L	96.7	Very high	94.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-37.7	175	-77.8	170.7	0	0	0	112.2	V145 R146 L149 V169 E170 S177 L178 S179 A182	V145-L173 HydrophobicContact CG1-CD2 3.83Å; R146-L173 HydrophobicContact CB-CD1 4.37Å; L149-L173 HydrophobicContact CD1-CD2 3.63Å; L149-L173 HydrophobicContact CD1-CG 3.95Å; V169-L173 HydrophobicContact CG1-CD1 3.77Å; V169-L173 HydrophobicContact CG1-CG 4.24Å; V169-L173 WeakPolarHBondContact O-CB 3.21Å; V169-L173 VanDerWaalsContact O-CG 3.31Å; V169-L173 WeakPolarHBondContact O-CG 3.37Å; V169-L173 PolarHBondContact O-N 3.11Å; E170-L173 PolarHBondContact O-N 2.92Å; L173-S177 PolarHBondContact O-N 2.84Å; L173-L178 HydrophobicContact CD2-CB 3.63Å; L173-L178 HydrophobicContact CD2-CD1 4.44Å; L173-L178 PolarHBondContact O-N 3.28Å; L173-S179 PolarHBondContact O-N 2.88Å; L173-S179 PolarHBondContact O-OG 2.9Å; L173-A182 HydrophobicContact CD1-CB 3.79Å; L173-A182 HydrophobicContact CD2-CB 4.42Å
174	T	95.2	Very high	94.9	Very high	85 Å²	85	49 Å²	49	52%	0.521	26%	0.259	S	S	.	.	H	α-helix	trans	-71	-46.1	176.9	-53.3	0	0	0	0	110.2	E170 A171 V172 L176 S177	E170-T174 WeakPolarHBondContact O-CB 3.4Å; E170-T174 PolarHBondContact O-N 3.41Å; E170-T174 PolarHBondContact O-OG1 3.47Å; A171-T174 PolarHBondContact O-N 2.99Å; V172-T174 VanDerWaalsContact C-N 3.3Å; V172-T174 PolarHBondContact O-N 3.29Å; T174-L176 VanDerWaalsContact C-N 3.26Å; T174-L176 PolarHBondContact O-N 3.03Å; T174-S177 PolarHBondContact O-N 2.93Å; T174-S177 VanDerWaalsContact O-N 3.09Å
175	E	92.7	Very high	95	Very high	40 Å²	40	50.1 Å²	50.1	19%	0.187	27%	0.267	C	S	.	.	H	α-helix	trans	-58.1	-37.5	178.4	-178.4	166.8	-149.2	0	0	112.5	A171 V172 L239 R242	A171-E175 WeakPolarHBondContact O-CB 3.33Å; A171-E175 PolarHBondContact O-N 3.1Å; V172-E175 PolarHBondContact O-N 3.2Å; E175-L239 HydrophobicContact CG-CD2 4.3Å; E175-R242 WeakPolarHBondContact OE1-CD 3.39Å; E175-R242 IonicContact OE1-CZ 3.67Å; E175-R242 IonicContact OE1-NE 3.45Å; E175-R242 PolarHBondContact OE1-NE 3.09Å; E175-R242 IonicContact OE1-NH1 2.65Å; E175-R242 PolarHBondContact OE1-NH1 3Å
176	L	93.9	Very high	95.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	8.5	179.4	-65.2	175.4	0	0	0	114.5	V172 T174 L178 R201 I204 A205 L208 L235 L239	V172-L176 HydrophobicContact CG1-CD1 4.04Å; V172-L176 PolarHBondContact O-N 3.15Å; T174-L176 VanDerWaalsContact C-N 3.26Å; T174-L176 PolarHBondContact O-N 3.03Å; L176-L178 VanDerWaalsContact C-N 3.28Å; L176-L178 HydrophobicContact CB-CD1 4Å; L176-L178 HydrophobicContact CB-CG 4.18Å; L176-L178 HydrophobicContact CD1-CD1 4.46Å; L176-L178 PolarHBondContact O-N 3.05Å; L176-R201 WeakPolarHBondContact CD1-O 3.21Å; L176-R201 PolarHBondContact O-NH1 3.2Å; L176-I204 HydrophobicContact CD1-CB 4.45Å; L176-I204 HydrophobicContact CD1-CG2 4.32Å; L176-I204 HydrophobicContact CD2-CG2 4.12Å; L176-A205 HydrophobicContact CD1-CB 3.28Å; L176-A205 VanDerWaalsContact CD1-N 3.34Å; L176-L208 HydrophobicContact CD1-CD1 3.87Å; L176-L208 HydrophobicContact CD2-CD1 3.91Å; L176-L208 HydrophobicContact CG-CD1 4.01Å; L176-L235 HydrophobicContact CB-CD1 4.47Å; L176-L235 HydrophobicContact CD2-CD1 3.64Å; L176-L235 HydrophobicContact CD2-CD2 3.49Å; L176-L235 VanDerWaalsContact CD2-CD2 3.49Å; L176-L235 HydrophobicContact CD2-CG 3.87Å; L176-L239 HydrophobicContact CD2-CD1 4.38Å
177	S	92.8	Very high	94.9	Very high	69 Å²	69	47.5 Å²	47.5	48%	0.483	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	46.4	-178.1	-59.5	0	0	0	0	112.6	L173 T174 H180 R201	L173-S177 PolarHBondContact O-N 2.84Å; T174-S177 PolarHBondContact O-N 2.93Å; T174-S177 VanDerWaalsContact O-N 3.09Å; S177-H180 PolarHBondContact O-CE1 3.19Å; S177-H180 VanDerWaalsContact O-CE1 3.26Å; S177-H180 PolarHBondContact O-ND1 2.75Å; S177-R201 PolarHBondContact O-NH1 3.22Å
178	L	95.4	Very high	94.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.241	C	C	.	.			trans	-111.1	4.3	178.8	-74.2	173.7	0	0	0	112.9	L173 L176 H180 V181 A182 E198 R201 V202 A205	L173-L178 HydrophobicContact CD2-CB 3.63Å; L173-L178 HydrophobicContact CD2-CD1 4.44Å; L173-L178 PolarHBondContact O-N 3.28Å; L176-L178 VanDerWaalsContact C-N 3.28Å; L176-L178 HydrophobicContact CB-CD1 4Å; L176-L178 HydrophobicContact CB-CG 4.18Å; L176-L178 HydrophobicContact CD1-CD1 4.46Å; L176-L178 PolarHBondContact O-N 3.05Å; L178-H180 PolarHBondContact O-N 3.29Å; L178-V181 HydrophobicContact CB-CG2 4.39Å; L178-V181 HydrophobicContact CD2-CG2 3.81Å; L178-V181 WeakPolarHBondContact O-CG2 3.13Å; L178-V181 PolarHBondContact O-N 3.43Å; L178-V181 VanDerWaalsContact O-N 3.17Å; L178-A182 PolarHBondContact O-N 2.97Å; L178-A182 VanDerWaalsContact O-N 3.12Å; L178-E198 HydrophobicContact CD2-CB 4.14Å; L178-E198 HydrophobicContact CD2-CG 4.26Å; L178-R201 HydrophobicContact CD1-CB 3.83Å; L178-R201 HydrophobicContact CD2-CB 3.94Å; L178-R201 HydrophobicContact CG-CB 4.05Å; L178-V202 HydrophobicContact CD1-CG2 3.81Å; L178-V202 HydrophobicContact CD2-CG2 4.32Å; L178-A205 HydrophobicContact CD1-CB 4.37Å
179	S	94.9	Very high	93.3	Very high	51 Å²	51	50.3 Å²	50.3	36%	0.357	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-61.3	-33.2	-176	-58.5	0	0	0	0	112.4	L173 V181 A182	L173-S179 PolarHBondContact O-N 2.88Å; L173-S179 PolarHBondContact O-OG 2.9Å; S179-V181 VanDerWaalsContact C-N 3.31Å; S179-V181 PolarHBondContact O-N 2.75Å; S179-A182 WeakPolarHBondContact O-CB 3.09Å; S179-A182 PolarHBondContact O-N 2.95Å
180	H	95.6	Very high	92.2	Very high	129 Å²	129	57.1 Å²	57.1	60%	0.597	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-69.4	-25.1	179.1	66	-63.1	0	0	0	113.8	S177 L178 E198	S177-H180 PolarHBondContact O-CE1 3.19Å; S177-H180 VanDerWaalsContact O-CE1 3.26Å; S177-H180 PolarHBondContact O-ND1 2.75Å; L178-H180 PolarHBondContact O-N 3.29Å; H180-E198 IonicContact CD2-OE1 3.47Å; H180-E198 IonicContact CE1-OE1 2.77Å; H180-E198 IonicContact NE2-OE1 2.78Å; H180-E198 PolarHBondContact NE2-OE1 3.21Å
181	V	95.9	Very high	91	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.03	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-109	9	177.7	-70.3	0	0	0	0	113.2	L178 S179 D183 Q184 I194 E198	L178-V181 HydrophobicContact CB-CG2 4.39Å; L178-V181 HydrophobicContact CD2-CG2 3.81Å; L178-V181 WeakPolarHBondContact O-CG2 3.13Å; L178-V181 PolarHBondContact O-N 3.43Å; L178-V181 VanDerWaalsContact O-N 3.17Å; S179-V181 VanDerWaalsContact C-N 3.31Å; S179-V181 PolarHBondContact O-N 2.75Å; V181-D183 VanDerWaalsContact C-N 3.3Å; V181-D183 PolarHBondContact O-N 2.91Å; V181-Q184 HydrophobicContact CB-CB 4.43Å; V181-Q184 WeakPolarHBondContact O-CB 3.43Å; V181-Q184 PolarHBondContact O-N 2.88Å; V181-I194 HydrophobicContact CB-CG2 4.27Å; V181-E198 WeakPolarHBondContact CG1-OE1 3.47Å; V181-E198 HydrophobicContact CG2-CG 4.44Å
182	A	95.8	Very high	90.4	Very high	1 Å²	1	61 Å²	61	1%	0.008	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-43.6	-172.7	0	0	0	0	0	113	V145 R146 L173 L178 S179	V145-A182 PolarHBondContact N-O 2.66Å; R146-A182 HydrophobicContact CB-CB 4.44Å; R146-A182 VanDerWaalsContact CB-O 3.24Å; R146-A182 WeakPolarHBondContact CB-O 3.44Å; R146-A182 PolarHBondContact N-O 3.14Å; L173-A182 HydrophobicContact CD1-CB 3.79Å; L173-A182 HydrophobicContact CD2-CB 4.42Å; L178-A182 PolarHBondContact O-N 2.97Å; L178-A182 VanDerWaalsContact O-N 3.12Å; S179-A182 WeakPolarHBondContact O-CB 3.09Å; S179-A182 PolarHBondContact O-N 2.95Å
183	D	96.4	Very high	90.1	Very high	108 Å²	108	62.6 Å²	62.6	58%	0.578	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	7.8	-177.4	-60.5	-52.9	0	0	0	113.3	T144 R146 V181	T144-D183 WeakPolarHBondContact CG2-O 3.35Å; R146-D183 IonicContact CZ-OD1 3.85Å; R146-D183 IonicContact CZ-OD2 3.04Å; R146-D183 IonicContact NE-OD1 2.66Å; R146-D183 IonicContact NH1-OD1 3.07Å; R146-D183 PolarHBondContact NH1-OD1 3.39Å; R146-D183 IonicContact NH1-OD2 3.88Å; R146-D183 PolarHBondContact NH1-OD2 3.16Å; V181-D183 VanDerWaalsContact C-N 3.3Å; V181-D183 PolarHBondContact O-N 2.91Å
184	Q	95	Very high	90	Very high	93 Å²	93	63.5 Å²	63.5	44%	0.435	34%	0.343	S	S	.	.	S	Bend	trans	-84.1	146.4	175.2	-167.9	173.1	-3.5	0	0	111	T144 V145 V181 I186 I194	T144-Q184 WeakPolarHBondContact CA-O 3.16Å; T144-Q184 WeakPolarHBondContact CB-O 3.49Å; V145-Q184 PolarHBondContact N-O 3.06Å; V181-Q184 HydrophobicContact CB-CB 4.43Å; V181-Q184 WeakPolarHBondContact O-CB 3.43Å; V181-Q184 PolarHBondContact O-N 2.88Å; Q184-I186 PolarHBondContact O-N 2.8Å; Q184-I194 HydrophobicContact CB-CG2 4.42Å; Q184-I194 HydrophobicContact CG-CG2 4.4Å
185	M	94.1	Very high	89.8	Confident	109 Å²	109	62 Å²	62	54%	0.537	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-64.4	132.3	174.1	-69.7	-170.9	-71.8	0	0	110.6	G187	M185-G187 PolarHBondContact O-N 2.84Å
186	I	94.7	Very high	89.6	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.01	34%	0.342	C	S	.	.			trans	-59	-43.4	176.2	-65.9	175.7	0	0	0	109.9	F139 L143 V145 T148 Q184 G193 I194	F139-I186 HydrophobicContact CB-CD1 4.14Å; F139-I186 HydrophobicContact CB-CG2 4.01Å; F139-I186 HydrophobicContact CD2-CG2 4.26Å; F139-I186 HydrophobicContact CG-CD1 4.23Å; F139-I186 HydrophobicContact CG-CG2 4.42Å; L143-I186 PolarHBondContact O-N 2.94Å; V145-I186 HydrophobicContact CG2-CG1 3.98Å; T148-I186 HydrophobicContact CG2-CD1 3.97Å; T148-I186 WeakPolarHBondContact OG1-CD1 3.43Å; Q184-I186 PolarHBondContact O-N 2.8Å; I186-G193 WeakPolarHBondContact O-CA 3.42Å; I186-I194 HydrophobicContact CB-CD1 4.42Å; I186-I194 HydrophobicContact CG1-CD1 4.31Å; I186-I194 HydrophobicContact CG2-CD1 4.1Å; I186-I194 HydrophobicContact CG2-CG1 4.41Å; I186-I194 PolarHBondContact O-N 2.88Å
187	G	90.6	Very high	89.4	Confident	10 Å²	10	62.3 Å²	62.3	10%	0.103	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	67.9	-161.8	177.1	0	0	0	0	0	113.4	S141 M185 G192	S141-G187 WeakPolarHBondContact CA-O 3.32Å; S141-G187 VanDerWaalsContact CB-O 3.23Å; S141-G187 WeakPolarHBondContact CB-O 3.33Å; S141-G187 WeakPolarHBondContact O-CA 3.47Å; S141-G187 PolarHBondContact O-N 2.88Å; M185-G187 PolarHBondContact O-N 2.84Å; G187-G192 CarbonylContact C-O 3.55Å; G187-G192 WeakPolarHBondContact CA-O 3.4Å
188	N	81.9	Confident	89.4	Confident	47 Å²	47	60.3 Å²	60.3	25%	0.251	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	175.5	172.6	66.6	18.2	0	0	0	109.5	N190 F191 G192	N188-N190 PolarHBondContact O-N 3.39Å; N188-N190 VanDerWaalsContact O-N 3.13Å; N188-N190 PolarHBondContact OD1-N 3.29Å; N188-N190 VanDerWaalsContact OD1-N 3.09Å; N188-F191 WeakPolarHBondContact ND2-CD2 3.11Å; N188-F191 WeakPolarHBondContact OD1-CB 3.33Å; N188-F191 VanDerWaalsContact OD1-CD2 3.26Å; N188-F191 WeakPolarHBondContact OD1-CD2 3.1Å; N188-F191 PolarHBondContact OD1-N 3.26Å; N188-G192 PolarHBondContact N-O 2.8Å; N188-G192 CarbonylContact O-C 3.59Å; N188-G192 PolarHBondContact O-N 3.4Å
189	Y	72.3	Confident	89.3	Confident	178 Å²	178	62 Å²	62	70%	0.698	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.4	-178	-70.8	-81.1	0	0	0	113.9
190	N	74.7	Confident	89.3	Confident	145 Å²	145	59.9 Å²	59.9	78%	0.775	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-30.2	-173.2	-65.5	-0.5	0	0	0	113.8	N188	N188-N190 PolarHBondContact O-N 3.39Å; N188-N190 VanDerWaalsContact O-N 3.13Å; N188-N190 PolarHBondContact OD1-N 3.29Å; N188-N190 VanDerWaalsContact OD1-N 3.09Å
191	F	72.1	Confident	89.2	Confident	161 Å²	161	55.1 Å²	55.1	71%	0.706	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	10.2	-173.4	-67.4	-90.7	0	0	0	112.4	N188	N188-F191 WeakPolarHBondContact ND2-CD2 3.11Å; N188-F191 WeakPolarHBondContact OD1-CB 3.33Å; N188-F191 VanDerWaalsContact OD1-CD2 3.26Å; N188-F191 WeakPolarHBondContact OD1-CD2 3.1Å; N188-F191 PolarHBondContact OD1-N 3.26Å
192	G	82.3	Confident	89.2	Confident	43 Å²	43	54.9 Å²	54.9	44%	0.443	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	74.5	-179.3	-173.5	0	0	0	0	0	112.4	G187 N188	G187-G192 CarbonylContact C-O 3.55Å; G187-G192 WeakPolarHBondContact CA-O 3.4Å; N188-G192 PolarHBondContact N-O 2.8Å; N188-G192 CarbonylContact O-C 3.59Å; N188-G192 PolarHBondContact O-N 3.4Å
193	G	89.6	Confident	89.1	Confident	38 Å²	38	55 Å²	55	39%	0.392	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	150	-153.7	-175.5	0	0	0	0	0	112.1	I186	I186-G193 WeakPolarHBondContact O-CA 3.42Å
194	I	93.5	Very high	89	Confident	19 Å²	19	50 Å²	50	10%	0.097	27%	0.266	C	S	.	.	S	Bend	trans	-72.6	159.5	171.7	64.3	-179	0	0	0	111.1	V145 V181 Q184 I186 E198 R199 V202	V145-I194 HydrophobicContact CG2-CD1 4.02Å; V145-I194 HydrophobicContact CG2-CG2 4.1Å; V181-I194 HydrophobicContact CB-CG2 4.27Å; Q184-I194 HydrophobicContact CB-CG2 4.42Å; Q184-I194 HydrophobicContact CG-CG2 4.4Å; I186-I194 HydrophobicContact CB-CD1 4.42Å; I186-I194 HydrophobicContact CG1-CD1 4.31Å; I186-I194 HydrophobicContact CG2-CD1 4.1Å; I186-I194 HydrophobicContact CG2-CG1 4.41Å; I186-I194 PolarHBondContact O-N 2.88Å; I194-E198 HydrophobicContact CB-CB 4.13Å; I194-E198 HydrophobicContact CD1-CB 4.38Å; I194-E198 HydrophobicContact CG1-CB 4.47Å; I194-R199 HydrophobicContact CD1-CB 3.91Å; I194-R199 HydrophobicContact CG1-CB 4.08Å; I194-V202 HydrophobicContact CD1-CG2 3.97Å
195	S	91.5	Very high	89	Confident	55 Å²	55	45.5 Å²	45.5	39%	0.385	25%	0.245	S	C	.	.			trans	-64	159.8	176.1	65.2	0	0	0	0	112.2	G197 E198 R199	S195-G197 VanDerWaalsContact C-N 3.29Å; S195-G197 PolarHBondContact O-N 2.94Å; S195-E198 WeakPolarHBondContact CB-OE2 3.35Å; S195-E198 PolarHBondContact N-OE2 3.12Å; S195-E198 PolarHBondContact O-N 2.65Å; S195-E198 VanDerWaalsContact OG-CB 3.32Å; S195-E198 WeakPolarHBondContact OG-CB 3.18Å; S195-E198 WeakPolarHBondContact OG-CG 3.48Å; S195-E198 PolarHBondContact OG-N 2.99Å; S195-E198 PolarHBondContact OG-OE2 3.43Å; S195-R199 WeakPolarHBondContact O-CB 3.45Å; S195-R199 PolarHBondContact O-N 3.26Å
196	S	88.7	Confident	89	Confident	43 Å²	43	40.9 Å²	40.9	30%	0.301	22%	0.224	S	C	.	.	H	α-helix	trans	-59.3	-40.1	176.5	51.9	0	0	0	0	112.2	R199 R200	S196-R199 PolarHBondContact O-N 2.67Å; S196-R200 PolarHBondContact O-N 2.83Å
197	G	90.3	Very high	88.9	Confident	2 Å²	2	41.3 Å²	41.3	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-63.3	-45.5	174.7	0	0	0	0	0	113.8	S195 R199 R200 R201	S195-G197 VanDerWaalsContact C-N 3.29Å; S195-G197 PolarHBondContact O-N 2.94Å; G197-R199 VanDerWaalsContact C-N 3.34Å; G197-R200 PolarHBondContact O-N 3.37Å; G197-R201 PolarHBondContact O-N 3.01Å
198	E	92.9	Very high	89	Confident	27 Å²	27	40.9 Å²	40.9	13%	0.126	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-42.9	174.3	-72.9	161.9	156.5	0	0	111	L178 H180 V181 I194 S195 R200 R201 V202	L178-E198 HydrophobicContact CD2-CB 4.14Å; L178-E198 HydrophobicContact CD2-CG 4.26Å; H180-E198 IonicContact CD2-OE1 3.47Å; H180-E198 IonicContact CE1-OE1 2.77Å; H180-E198 IonicContact NE2-OE1 2.78Å; H180-E198 PolarHBondContact NE2-OE1 3.21Å; V181-E198 WeakPolarHBondContact CG1-OE1 3.47Å; V181-E198 HydrophobicContact CG2-CG 4.44Å; I194-E198 HydrophobicContact CB-CB 4.13Å; I194-E198 HydrophobicContact CD1-CB 4.38Å; I194-E198 HydrophobicContact CG1-CB 4.47Å; S195-E198 WeakPolarHBondContact CB-OE2 3.35Å; S195-E198 PolarHBondContact N-OE2 3.12Å; S195-E198 PolarHBondContact O-N 2.65Å; S195-E198 VanDerWaalsContact OG-CB 3.32Å; S195-E198 WeakPolarHBondContact OG-CB 3.18Å; S195-E198 WeakPolarHBondContact OG-CG 3.48Å; S195-E198 PolarHBondContact OG-N 2.99Å; S195-E198 PolarHBondContact OG-OE2 3.43Å; E198-R200 VanDerWaalsContact C-N 3.28Å; E198-R200 PolarHBondContact O-N 3.24Å; E198-R201 CarbonylContact O-C 3.59Å; E198-R201 WeakPolarHBondContact O-CA 3.27Å; E198-R201 WeakPolarHBondContact O-CB 3.46Å; E198-R201 PolarHBondContact O-N 3.1Å; E198-R201 VanDerWaalsContact O-N 3.1Å; E198-V202 WeakPolarHBondContact O-CG2 3.47Å; E198-V202 PolarHBondContact O-N 3.13Å
199	R	93.6	Very high	89.5	Confident	35 Å²	35	38.7 Å²	38.7	13%	0.132	21%	0.21	C	C	.	.	H	α-helix	trans	-58	-41.1	175.6	-175.7	176	174.5	164.7	-1.3	112.1	D137 F139 I194 S195 S196 G197 V202 S203	D137-R199 HydrophobicContact CB-CG 4.37Å; D137-R199 PolarHBondContact O-NE 3.31Å; D137-R199 PolarHBondContact O-NH2 3.29Å; F139-R199 HydrophobicContact CD2-CG 3.99Å; F139-R199 HydrophobicContact CE2-CG 3.98Å; I194-R199 HydrophobicContact CD1-CB 3.91Å; I194-R199 HydrophobicContact CG1-CB 4.08Å; S195-R199 WeakPolarHBondContact O-CB 3.45Å; S195-R199 PolarHBondContact O-N 3.26Å; S196-R199 PolarHBondContact O-N 2.67Å; G197-R199 VanDerWaalsContact C-N 3.34Å; R199-V202 WeakPolarHBondContact O-CB 3.21Å; R199-V202 PolarHBondContact O-N 2.98Å; R199-S203 PolarHBondContact O-N 3.37Å; R199-S203 VanDerWaalsContact O-N 3.13Å
200	R	92.9	Very high	90.1	Very high	8 Å²	8	31 Å²	31	3%	0.03	18%	0.18	C	C	.	.	H	α-helix	trans	-63.6	-42.8	175.5	-167.7	61.4	172.8	169.3	-1.9	111.5	L133 L134 D137 S196 G197 E198 V202 S203 I204 D218 P220 L224	L133-R200 VanDerWaalsContact CD2-CZ 3.42Å; L134-R200 PolarHBondContact O-NH1 3.46Å; L134-R200 PolarHBondContact O-NH2 3.21Å; D137-R200 IonicContact OD1-CZ 3.89Å; D137-R200 IonicContact OD1-NH1 2.84Å; D137-R200 PolarHBondContact OD1-NH1 3.31Å; D137-R200 WeakPolarHBondContact OD2-CD 3.31Å; D137-R200 IonicContact OD2-NH1 3.63Å; D137-R200 PolarHBondContact OD2-NH1 3.47Å; S196-R200 PolarHBondContact O-N 2.83Å; G197-R200 PolarHBondContact O-N 3.37Å; E198-R200 VanDerWaalsContact C-N 3.28Å; E198-R200 PolarHBondContact O-N 3.24Å; R200-V202 VanDerWaalsContact C-N 3.31Å; R200-V202 PolarHBondContact O-N 3.37Å; R200-S203 WeakPolarHBondContact O-CB 3.28Å; R200-S203 PolarHBondContact O-N 2.83Å; R200-S203 VanDerWaalsContact O-N 3.11Å; R200-I204 PolarHBondContact O-N 2.87Å; R200-I204 VanDerWaalsContact O-N 3.1Å; R200-D218 PolarHBondContact NH2-O 3.14Å; R200-P220 PolarHBondContact NE-O 3.06Å; R200-P220 VanDerWaalsContact NH2-CA 3.26Å; R200-L224 HydrophobicContact CB-CD1 4.49Å; R200-L224 HydrophobicContact CG-CD1 4.42Å
201	R	94.2	Very high	90.7	Very high	29 Å²	29	27.7 Å²	27.7	11%	0.109	16%	0.163	C	C	.	.	H	α-helix	trans	-60.2	-38.3	173.3	-70.1	-175	-81.3	168.1	-6.8	112.2	L176 S177 L178 G197 E198 S203 I204 A205 I232	L176-R201 WeakPolarHBondContact CD1-O 3.21Å; L176-R201 PolarHBondContact O-NH1 3.2Å; S177-R201 PolarHBondContact O-NH1 3.22Å; L178-R201 HydrophobicContact CD1-CB 3.83Å; L178-R201 HydrophobicContact CD2-CB 3.94Å; L178-R201 HydrophobicContact CG-CB 4.05Å; G197-R201 PolarHBondContact O-N 3.01Å; E198-R201 CarbonylContact O-C 3.59Å; E198-R201 WeakPolarHBondContact O-CA 3.27Å; E198-R201 WeakPolarHBondContact O-CB 3.46Å; E198-R201 PolarHBondContact O-N 3.1Å; E198-R201 VanDerWaalsContact O-N 3.1Å; R201-S203 VanDerWaalsContact C-N 3.27Å; R201-S203 PolarHBondContact O-N 3.29Å; R201-I204 PolarHBondContact O-N 3.45Å; R201-A205 WeakPolarHBondContact O-CB 3.43Å; R201-A205 PolarHBondContact O-N 2.88Å; R201-I232 HydrophobicContact CG-CD1 3.38Å
202	V	95.7	Very high	91.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.3	-34.9	175.2	176.4	0	0	0	0	111.9	F139 V145 L149 L178 I194 E198 R199 R200 A205 A206	F139-V202 HydrophobicContact CE1-CG1 4.29Å; F139-V202 HydrophobicContact CE2-CB 4.46Å; F139-V202 HydrophobicContact CE2-CG1 4.26Å; F139-V202 HydrophobicContact CZ-CB 4.41Å; F139-V202 HydrophobicContact CZ-CG1 3.92Å; V145-V202 HydrophobicContact CB-CG2 4.34Å; V145-V202 HydrophobicContact CG1-CB 4.47Å; V145-V202 HydrophobicContact CG1-CG1 4.15Å; V145-V202 HydrophobicContact CG1-CG2 3.47Å; V145-V202 VanDerWaalsContact CG1-CG2 3.47Å; V145-V202 HydrophobicContact CG2-CG2 3.96Å; L149-V202 HydrophobicContact CD2-CG1 4.36Å; L178-V202 HydrophobicContact CD1-CG2 3.81Å; L178-V202 HydrophobicContact CD2-CG2 4.32Å; I194-V202 HydrophobicContact CD1-CG2 3.97Å; E198-V202 WeakPolarHBondContact O-CG2 3.47Å; E198-V202 PolarHBondContact O-N 3.13Å; R199-V202 WeakPolarHBondContact O-CB 3.21Å; R199-V202 PolarHBondContact O-N 2.98Å; R200-V202 VanDerWaalsContact C-N 3.31Å; R200-V202 PolarHBondContact O-N 3.37Å; V202-A205 VanDerWaalsContact O-CB 3.3Å; V202-A205 WeakPolarHBondContact O-CB 3.3Å; V202-A205 PolarHBondContact O-N 3.49Å; V202-A206 PolarHBondContact O-N 2.92Å
203	S	94.2	Very high	91.9	Very high	4 Å²	4	21 Å²	21	3%	0.028	12%	0.121	C	C	.	.	H	α-helix	trans	-66.9	-42.3	175.1	-155.4	0	0	0	0	112	L133 D137 R199 R200 R201 A205 A206 Q207	L133-S203 VanDerWaalsContact CD1-C 3.45Å; L133-S203 WeakPolarHBondContact CD1-O 3.24Å; L133-S203 WeakPolarHBondContact CD1-OG 3.43Å; D137-S203 WeakPolarHBondContact OD1-CB 3.04Å; D137-S203 PolarHBondContact OD1-OG 2.81Å; R199-S203 PolarHBondContact O-N 3.37Å; R199-S203 VanDerWaalsContact O-N 3.13Å; R200-S203 WeakPolarHBondContact O-CB 3.28Å; R200-S203 PolarHBondContact O-N 2.83Å; R200-S203 VanDerWaalsContact O-N 3.11Å; R201-S203 VanDerWaalsContact C-N 3.27Å; R201-S203 PolarHBondContact O-N 3.29Å; S203-A205 VanDerWaalsContact C-N 3.32Å; S203-A205 PolarHBondContact O-N 3.23Å; S203-A206 PolarHBondContact O-N 2.8Å; S203-Q207 PolarHBondContact O-N 3.29Å
204	I	94.7	Very high	92.1	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-61.6	-42.9	170.8	-61.1	165.7	0	0	0	110.3	L133 L176 R200 R201 A206 Q207 L208 M215 L217 I232 L235 L236 L239	L133-I204 HydrophobicContact CD2-CG1 3.69Å; L176-I204 HydrophobicContact CD1-CB 4.45Å; L176-I204 HydrophobicContact CD1-CG2 4.32Å; L176-I204 HydrophobicContact CD2-CG2 4.12Å; R200-I204 PolarHBondContact O-N 2.87Å; R200-I204 VanDerWaalsContact O-N 3.1Å; R201-I204 PolarHBondContact O-N 3.45Å; I204-A206 VanDerWaalsContact C-N 3.32Å; I204-A206 PolarHBondContact O-N 2.82Å; I204-Q207 WeakPolarHBondContact O-CB 3.45Å; I204-Q207 PolarHBondContact O-N 3.48Å; I204-Q207 VanDerWaalsContact O-N 3.13Å; I204-L208 HydrophobicContact CG2-CD1 4.14Å; I204-L208 HydrophobicContact CG2-CG 4.33Å; I204-L208 PolarHBondContact O-N 2.77Å; I204-M215 HydrophobicContact CG2-CE 4.21Å; I204-L217 HydrophobicContact CD1-CD2 4.4Å; I204-L217 HydrophobicContact CG1-CD2 4.21Å; I204-I232 HydrophobicContact CD1-CG2 4.31Å; I204-L235 HydrophobicContact CD1-CD2 4.21Å; I204-L236 HydrophobicContact CD1-CD2 4.13Å; I204-L239 HydrophobicContact CG2-CD1 3.93Å
205	A	95.5	Very high	92.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-57	-44.9	178.3	0	0	0	0	0	112	L149 V172 L176 L178 R201 V202 S203 Q207 L208 L209	L149-A205 HydrophobicContact CD1-CB 3.88Å; L149-A205 HydrophobicContact CD2-CB 3.64Å; L149-A205 HydrophobicContact CG-CB 4.42Å; V172-A205 HydrophobicContact CG1-CB 3.69Å; L176-A205 HydrophobicContact CD1-CB 3.28Å; L176-A205 VanDerWaalsContact CD1-N 3.34Å; L178-A205 HydrophobicContact CD1-CB 4.37Å; R201-A205 WeakPolarHBondContact O-CB 3.43Å; R201-A205 PolarHBondContact O-N 2.88Å; V202-A205 VanDerWaalsContact O-CB 3.3Å; V202-A205 WeakPolarHBondContact O-CB 3.3Å; V202-A205 PolarHBondContact O-N 3.49Å; S203-A205 VanDerWaalsContact C-N 3.32Å; S203-A205 PolarHBondContact O-N 3.23Å; A205-Q207 PolarHBondContact O-N 3.39Å; A205-L208 PolarHBondContact O-N 2.81Å; A205-L208 VanDerWaalsContact O-N 3.14Å; A205-L209 WeakPolarHBondContact O-CG 3.4Å; A205-L209 PolarHBondContact O-N 3.27Å
206	A	93.9	Very high	92.3	Very high	12 Å²	12	16 Å²	16	10%	0.099	8%	0.081	C	C	.	.	H	α-helix	trans	-58.5	-37.8	179.1	0	0	0	0	0	112.2	L149 T152 V202 S203 I204	L149-A206 HydrophobicContact CD2-CB 4.19Å; T152-A206 HydrophobicContact CG2-CB 4.3Å; V202-A206 PolarHBondContact O-N 2.92Å; S203-A206 PolarHBondContact O-N 2.8Å; I204-A206 VanDerWaalsContact C-N 3.32Å; I204-A206 PolarHBondContact O-N 2.82Å
207	Q	92	Very high	92.7	Very high	11 Å²	11	14 Å²	14	5%	0.051	7%	0.067	C	C	.	.	H	α-helix	trans	-72.4	-39.7	176.2	-62	-56.2	-42.8	0	0	112.1	S131 L133 S203 I204 A205 L209 Q210 P212 M215 D456	S131-Q207 PolarHBondContact OG-OE1 2.82Å; L133-Q207 HydrophobicContact CD1-CG 4.07Å; S203-Q207 PolarHBondContact O-N 3.29Å; I204-Q207 WeakPolarHBondContact O-CB 3.45Å; I204-Q207 PolarHBondContact O-N 3.48Å; I204-Q207 VanDerWaalsContact O-N 3.13Å; A205-Q207 PolarHBondContact O-N 3.39Å; Q207-L209 PolarHBondContact O-N 3.25Å; Q207-Q210 PolarHBondContact O-N 3.37Å; Q207-P212 WeakPolarHBondContact O-CD 3.33Å; Q207-M215 HydrophobicContact CB-CE 4.45Å; Q207-D456 PolarHBondContact NE2-OD2 3.1Å
208	L	92.8	Very high	92.8	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-64.4	-24.8	179.6	-72.6	178	0	0	0	113.8	V172 L176 I204 A205 Q210 D211 M215 L239	V172-L208 HydrophobicContact CG1-CB 4.11Å; V172-L208 HydrophobicContact CG2-CB 4.41Å; L176-L208 HydrophobicContact CD1-CD1 3.87Å; L176-L208 HydrophobicContact CD2-CD1 3.91Å; L176-L208 HydrophobicContact CG-CD1 4.01Å; I204-L208 HydrophobicContact CG2-CD1 4.14Å; I204-L208 HydrophobicContact CG2-CG 4.33Å; I204-L208 PolarHBondContact O-N 2.77Å; A205-L208 PolarHBondContact O-N 2.81Å; A205-L208 VanDerWaalsContact O-N 3.14Å; L208-Q210 PolarHBondContact O-N 2.78Å; L208-Q210 VanDerWaalsContact O-N 3.08Å; L208-D211 PolarHBondContact O-N 3.21Å; L208-M215 HydrophobicContact CD2-CE 3.81Å; L208-M215 HydrophobicContact CD2-SD 3.54Å; L208-M215 VanDerWaalsContact CD2-SD 3.54Å; L208-M215 HydrophobicContact CG-CE 4.21Å; L208-L239 HydrophobicContact CD1-CD1 4.04Å; L208-L239 HydrophobicContact CD1-CD2 3.69Å; L208-L239 HydrophobicContact CD2-CD1 4.4Å; L208-L239 HydrophobicContact CD2-CD2 4.06Å
209	L	91.5	Very high	92.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-24.9	177.2	-69.2	168.4	0	0	0	113.6	L149 T152 A153 K168 V169 V172 A205 Q207 D211	L149-L209 HydrophobicContact CB-CD1 4.17Å; L149-L209 HydrophobicContact CD2-CD1 4.08Å; L149-L209 VanDerWaalsContact O-CD1 3.27Å; L149-L209 WeakPolarHBondContact O-CD1 3.43Å; T152-L209 HydrophobicContact CG2-CD1 4.11Å; A153-L209 HydrophobicContact CB-CD1 4.1Å; A153-L209 HydrophobicContact CB-CD2 4.2Å; K168-L209 WeakPolarHBondContact CE-O 3.33Å; K168-L209 PolarHBondContact NZ-O 3.26Å; V169-L209 HydrophobicContact CG2-CD2 4.09Å; V172-L209 HydrophobicContact CB-CD2 4.41Å; V172-L209 HydrophobicContact CG2-CD2 4.01Å; A205-L209 WeakPolarHBondContact O-CG 3.4Å; A205-L209 PolarHBondContact O-N 3.27Å; Q207-L209 PolarHBondContact O-N 3.25Å; L209-D211 VanDerWaalsContact C-N 3.29Å
210	Q	85.9	Confident	92.8	Very high	16 Å²	16	12 Å²	12	8%	0.075	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-1.6	177	-63.3	-176.2	-4.9	0	0	113.4	A156 Q207 L208 K358	A156-Q210 HydrophobicContact CB-CG 4.04Å; Q207-Q210 PolarHBondContact O-N 3.37Å; L208-Q210 PolarHBondContact O-N 2.78Å; L208-Q210 VanDerWaalsContact O-N 3.08Å; Q210-K358 HydrophobicContact CB-CG 4.38Å; Q210-K358 VanDerWaalsContact OE1-CD 3.24Å; Q210-K358 VanDerWaalsContact OE1-CE 3.32Å
211	D	87.5	Confident	92.6	Very high	77 Å²	77	12.7 Å²	12.7	41%	0.412	6%	0.064	S	C	.	.			trans	48.9	52.9	-170.8	-68.2	-47.7	0	0	0	114.5	K168 L208 L209 R244	K168-D211 WeakPolarHBondContact CE-OD2 3.26Å; K168-D211 IonicContact NZ-OD2 3.87Å; K168-D211 PolarHBondContact NZ-OD2 3.42Å; L208-D211 PolarHBondContact O-N 3.21Å; L209-D211 VanDerWaalsContact C-N 3.29Å; D211-R244 IonicContact OD1-NH2 2.82Å
212	P	90.4	Very high	92.3	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.006	7%	0.074	C	C	.	.			trans	-71.2	134.4	-177.4	31.1	-36.4	0	0	0	112.3	Q207 M215 R244	Q207-P212 WeakPolarHBondContact O-CD 3.33Å; P212-M215 HydrophobicContact CB-CG 4.28Å; P212-M215 HydrophobicContact CG-CG 3.83Å; P212-M215 HydrophobicContact CG-SD 4.19Å; P212-R244 PolarHBondContact O-NH1 3.42Å
213	K	89.8	Confident	91.7	Very high	63 Å²	63	17.5 Å²	17.5	27%	0.274	11%	0.112	S	C	.	.	S	Bend	trans	-84.4	-20.4	172.3	-65.8	-64.2	-172.1	173.6	0	113.3	N243 R244 I245 P356	K213-N243 WeakPolarHBondContact CD-O 3Å; K213-R244 CarbonylContact O-C 3.59Å; K213-R244 WeakPolarHBondContact O-CA 3.42Å; K213-I245 PolarHBondContact O-N 2.68Å; K213-P356 HydrophobicContact CB-CB 3.82Å; K213-P356 HydrophobicContact CB-CG 3.87Å; K213-P356 HydrophobicContact CG-CB 3.74Å; K213-P356 HydrophobicContact CG-CG 4.34Å
214	V	93.1	Very high	91.4	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	120.6	174.7	-174.2	0	0	0	0	108.8	L39 V130 S131 M216 I245	L39-V214 HydrophobicContact CD2-CG1 4.03Å; V130-V214 HydrophobicContact CG1-CG1 4.32Å; V130-V214 HydrophobicContact CG2-CB 4.36Å; V130-V214 HydrophobicContact CG2-CG1 4.17Å; S131-V214 PolarHBondContact N-O 3.45Å; V214-M216 HydrophobicContact CG1-CE 4.16Å; V214-I245 HydrophobicContact CG1-CB 4.4Å; V214-I245 HydrophobicContact CG1-CG2 4.24Å; V214-I245 HydrophobicContact CG2-CB 4.33Å; V214-I245 HydrophobicContact CG2-CD1 4.26Å
215	M	94.6	Very high	91.1	Very high	5 Å²	5	22.5 Å²	22.5	3%	0.025	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.5	178.8	-65.3	-175.6	69.9	0	0	110.1	I204 Q207 L208 P212 L217 I245 V246 I247	I204-M215 HydrophobicContact CG2-CE 4.21Å; Q207-M215 HydrophobicContact CB-CE 4.45Å; L208-M215 HydrophobicContact CD2-CE 3.81Å; L208-M215 HydrophobicContact CD2-SD 3.54Å; L208-M215 VanDerWaalsContact CD2-SD 3.54Å; L208-M215 HydrophobicContact CG-CE 4.21Å; P212-M215 HydrophobicContact CB-CG 4.28Å; P212-M215 HydrophobicContact CG-CG 3.83Å; P212-M215 HydrophobicContact CG-SD 4.19Å; M215-L217 HydrophobicContact CB-CD1 4.11Å; M215-I245 PolarHBondContact N-O 2.84Å; M215-V246 WeakPolarHBondContact O-CA 3.47Å; M215-I247 PolarHBondContact O-N 3.38Å
216	M	95.2	Very high	90.6	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.8	174	-62.5	-175.6	-171.1	0	0	108.8	L39 L97 I100 V130 S131 Y132 L133 V214 I247	L39-M216 HydrophobicContact CD2-CE 4.18Å; L97-M216 HydrophobicContact CD2-CB 3.76Å; L97-M216 HydrophobicContact CG-CB 4.24Å; I100-M216 HydrophobicContact CB-CE 3.77Å; I100-M216 HydrophobicContact CB-SD 4.18Å; I100-M216 HydrophobicContact CG2-CE 3.32Å; I100-M216 HydrophobicContact CG2-SD 4.38Å; V130-M216 HydrophobicContact CG1-CB 4.45Å; V130-M216 HydrophobicContact CG1-CE 3.58Å; V130-M216 HydrophobicContact CG1-CG 3.79Å; V130-M216 HydrophobicContact CG1-SD 3.66Å; V130-M216 HydrophobicContact CG2-CE 4.16Å; S131-M216 PolarHBondContact O-N 2.8Å; Y132-M216 CarbonylContact C-O 3.51Å; Y132-M216 WeakPolarHBondContact CA-O 3.41Å; Y132-M216 HydrophobicContact CD2-CB 4.09Å; L133-M216 PolarHBondContact N-O 3.07Å; V214-M216 HydrophobicContact CG1-CE 4.16Å; M216-I247 CarbonylContact C-O 3.53Å; M216-I247 WeakPolarHBondContact CA-O 3.31Å; M216-I247 HydrophobicContact CE-CD1 4.2Å; M216-I247 HydrophobicContact CG-CB 4.35Å; M216-I247 HydrophobicContact CG-CD1 4.45Å
217	L	95.4	Very high	90.3	Very high	1 Å²	1	32 Å²	32	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	115.5	-177	-62	90.9	0	0	0	110.3	L133 I204 M215 E219 P220 L236 V246 I247 V248 T249	L133-L217 HydrophobicContact CB-CB 4.19Å; L133-L217 HydrophobicContact CB-CD2 4.31Å; L133-L217 HydrophobicContact CB-CG 3.92Å; L133-L217 HydrophobicContact CD2-CB 4.41Å; L133-L217 HydrophobicContact CD2-CD2 3.6Å; L133-L217 HydrophobicContact CD2-CG 4.12Å; I204-L217 HydrophobicContact CD1-CD2 4.4Å; I204-L217 HydrophobicContact CG1-CD2 4.21Å; M215-L217 HydrophobicContact CB-CD1 4.11Å; L217-E219 PolarHBondContact O-N 3.41Å; L217-P220 HydrophobicContact CB-CB 4.32Å; L217-P220 HydrophobicContact CB-CG 3.99Å; L217-P220 HydrophobicContact CD2-CB 4.26Å; L217-P220 HydrophobicContact CD2-CG 4.41Å; L217-L236 HydrophobicContact CD1-CD2 4.18Å; L217-L236 HydrophobicContact CD2-CD1 3.88Å; L217-L236 HydrophobicContact CD2-CD2 3.35Å; L217-L236 HydrophobicContact CD2-CG 4.26Å; L217-L236 HydrophobicContact CG-CD2 4.45Å; L217-V246 HydrophobicContact CD1-CG1 3.78Å; L217-I247 PolarHBondContact N-O 3.25Å; L217-V248 HydrophobicContact CB-CG2 4.41Å; L217-V248 HydrophobicContact CD1-CG2 4.31Å; L217-V248 WeakPolarHBondContact O-CA 3.2Å; L217-T249 PolarHBondContact O-N 2.85Å; L217-T249 PolarHBondContact O-OG1 3Å
218	D	93.9	Very high	90.2	Very high	5 Å²	5	33 Å²	33	3%	0.027	20%	0.196	C	C	.	.	S	Bend	trans	-84.8	113.7	176.7	-163.6	29	0	0	0	110.4	T94 L97 Y132 L133 Q135 R200 T249	T94-D218 WeakPolarHBondContact CG2-OD2 3.38Å; T94-D218 PolarHBondContact OG1-OD1 2.88Å; T94-D218 PolarHBondContact OG1-OD2 3.22Å; L97-D218 HydrophobicContact CD2-CB 4.25Å; Y132-D218 HydrophobicContact CE1-CB 4.2Å; L133-D218 PolarHBondContact O-N 3.13Å; Q135-D218 WeakPolarHBondContact CA-O 3.44Å; R200-D218 PolarHBondContact NH2-O 3.14Å; D218-T249 VanDerWaalsContact CA-OG1 3.27Å; D218-T249 WeakPolarHBondContact CA-OG1 3.04Å; D218-T249 PolarHBondContact OD1-OG1 2.94Å
219	E	92.3	Very high	90	Very high	17 Å²	17	33.6 Å²	33.6	8%	0.079	20%	0.2	C	C	.	.	S	Bend	trans	47.7	52.1	172.9	-72.8	-166.6	-178.3	0	0	115.6	K93 Q135 L217 T221 T222 T249	K93-E219 IonicContact NZ-OE1 3.54Å; Q135-E219 HydrophobicContact CG-CB 4.08Å; Q135-E219 PolarHBondContact NE2-OE2 3.1Å; L217-E219 PolarHBondContact O-N 3.41Å; E219-T221 VanDerWaalsContact C-N 3.25Å; E219-T221 PolarHBondContact O-N 3.31Å; E219-T222 HydrophobicContact CB-CG2 3.7Å; E219-T222 HydrophobicContact CG-CG2 4.27Å; E219-T222 PolarHBondContact O-N 2.9Å; E219-T222 PolarHBondContact O-OG1 3.34Å; E219-T222 WeakPolarHBondContact OE2-CG2 3.42Å; E219-T249 WeakPolarHBondContact CA-O 3.45Å; E219-T249 PolarHBondContact N-O 3.3Å; E219-T249 PolarHBondContact N-OG1 2.87Å
220	P	92.5	Very high	90	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-12.8	-172.2	32.5	-37.4	0	0	0	116.2	L133 R200 L217 L224 L236 V248 T249	L133-P220 HydrophobicContact CD2-CB 4.5Å; R200-P220 PolarHBondContact NE-O 3.06Å; R200-P220 VanDerWaalsContact NH2-CA 3.26Å; L217-P220 HydrophobicContact CB-CB 4.32Å; L217-P220 HydrophobicContact CB-CG 3.99Å; L217-P220 HydrophobicContact CD2-CB 4.26Å; L217-P220 HydrophobicContact CD2-CG 4.41Å; P220-L224 WeakPolarHBondContact O-CD1 3.49Å; P220-L236 HydrophobicContact CG-CD1 4.12Å; P220-V248 VanDerWaalsContact CD-CG1 3.4Å; P220-V248 HydrophobicContact CG-CG1 3.36Å; P220-T249 WeakPolarHBondContact CD-O 3.1Å
221	T	90.1	Very high	90.3	Very high	21 Å²	21	38.4 Å²	38.4	13%	0.129	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-6.3	176.3	53.7	0	0	0	0	113.2	E219 L224 A229 V233	E219-T221 VanDerWaalsContact C-N 3.25Å; E219-T221 PolarHBondContact O-N 3.31Å; T221-L224 PolarHBondContact O-N 3.29Å; T221-A229 HydrophobicContact CG2-CB 4.1Å; T221-V233 HydrophobicContact CG2-CG2 3.72Å
222	T	87.4	Confident	90.5	Very high	52 Å²	52	34.8 Å²	34.8	32%	0.319	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	138.3	-175.4	57.4	0	0	0	0	112.5	E219 L224	E219-T222 HydrophobicContact CB-CG2 3.7Å; E219-T222 HydrophobicContact CG-CG2 4.27Å; E219-T222 PolarHBondContact O-N 2.9Å; E219-T222 PolarHBondContact O-OG1 3.34Å; E219-T222 WeakPolarHBondContact OE2-CG2 3.42Å; T222-L224 PolarHBondContact O-N 2.7Å
223	G	83.9	Confident	90.7	Very high	78 Å²	78	34.8 Å²	34.8	80%	0.804	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.4	9.4	-178.3	0	0	0	0	0	115
224	L	87.5	Confident	90.8	Very high	30 Å²	30	35.6 Å²	35.6	16%	0.157	21%	0.211	C	C	.	.			trans	-100.3	151.2	174.2	-59.1	-179.5	0	0	0	110.9	R200 P220 T221 T222 T228 A229 I232	R200-L224 HydrophobicContact CB-CD1 4.49Å; R200-L224 HydrophobicContact CG-CD1 4.42Å; P220-L224 WeakPolarHBondContact O-CD1 3.49Å; T221-L224 PolarHBondContact O-N 3.29Å; T222-L224 PolarHBondContact O-N 2.7Å; L224-T228 HydrophobicContact CB-CG2 4.43Å; L224-T228 HydrophobicContact CD1-CG2 4.16Å; L224-T228 HydrophobicContact CD2-CG2 4.25Å; L224-A229 HydrophobicContact CB-CB 4.32Å; L224-I232 HydrophobicContact CD1-CG1 3.86Å
225	D	87.5	Confident	90.8	Very high	80 Å²	80	36.1 Å²	36.1	43%	0.428	21%	0.214	S	C	.	.			trans	-68.8	162.7	166	69	-78.7	0	0	0	110.4	M227 T228 A229	D225-M227 PolarHBondContact O-N 2.93Å; D225-M227 PolarHBondContact OD2-N 3.19Å; D225-T228 VanDerWaalsContact CG-OG1 3.23Å; D225-T228 PolarHBondContact O-N 3.28Å; D225-T228 WeakPolarHBondContact OD1-CB 3.36Å; D225-T228 PolarHBondContact OD1-OG1 3.35Å; D225-T228 PolarHBondContact OD2-N 3.43Å; D225-T228 PolarHBondContact OD2-OG1 3.2Å; D225-A229 WeakPolarHBondContact O-CB 3.49Å; D225-A229 PolarHBondContact O-N 3.48Å
226	C	85	Confident	90.8	Very high	57 Å²	57	36.1 Å²	36.1	39%	0.385	21%	0.214	S	C	.	.	H	α-helix	trans	-67.2	-36.3	-168.5	-52.5	0	0	0	0	113.9	N230 R254	C226-N230 PolarHBondContact O-N 3.44Å; C226-R254 PolarHBondContact SG-NH2 3.5Å
227	M	88.2	Confident	90.8	Very high	155 Å²	155	36.7 Å²	36.7	76%	0.764	22%	0.217	S	C	*	.	H	α-helix	trans	-66.2	-48.2	177.3	-179.6	-170.5	-73.9	0	0	109.8	D225 A229 N230 H231	D225-M227 PolarHBondContact O-N 2.93Å; D225-M227 PolarHBondContact OD2-N 3.19Å; M227-A229 PolarHBondContact O-N 2.87Å; M227-N230 PolarHBondContact O-N 3.39Å; M227-H231 PolarHBondContact O-N 3.16Å; M227-H231 VanDerWaalsContact O-N 3.09Å
228	T	89.1	Confident	90.7	Very high	33 Å²	33	40.9 Å²	40.9	20%	0.202	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-41.8	178.8	-59.2	0	0	0	0	111.8	L224 D225 N230 H231 I232	L224-T228 HydrophobicContact CB-CG2 4.43Å; L224-T228 HydrophobicContact CD1-CG2 4.16Å; L224-T228 HydrophobicContact CD2-CG2 4.25Å; D225-T228 VanDerWaalsContact CG-OG1 3.23Å; D225-T228 PolarHBondContact O-N 3.28Å; D225-T228 WeakPolarHBondContact OD1-CB 3.36Å; D225-T228 PolarHBondContact OD1-OG1 3.35Å; D225-T228 PolarHBondContact OD2-N 3.43Å; D225-T228 PolarHBondContact OD2-OG1 3.2Å; T228-N230 VanDerWaalsContact C-N 3.35Å; T228-N230 PolarHBondContact O-N 3.07Å; T228-H231 PolarHBondContact O-N 3.15Å; T228-I232 HydrophobicContact CG2-CG1 4.48Å; T228-I232 WeakPolarHBondContact O-CG1 3.36Å; T228-I232 PolarHBondContact O-N 3.41Å
229	A	90.3	Very high	90.6	Very high	12 Å²	12	40.9 Å²	40.9	10%	0.099	24%	0.237	C	C	.	.	H	α-helix	trans	-57.9	-46.2	177.3	0	0	0	0	0	111.9	T221 L224 D225 M227 H231 I232 V233	T221-A229 HydrophobicContact CG2-CB 4.1Å; L224-A229 HydrophobicContact CB-CB 4.32Å; D225-A229 WeakPolarHBondContact O-CB 3.49Å; D225-A229 PolarHBondContact O-N 3.48Å; M227-A229 PolarHBondContact O-N 2.87Å; A229-H231 VanDerWaalsContact C-N 3.35Å; A229-H231 PolarHBondContact O-N 3.21Å; A229-I232 PolarHBondContact O-N 2.78Å; A229-V233 PolarHBondContact O-N 3.46Å; A229-V233 VanDerWaalsContact O-N 3.1Å
230	N	91	Very high	90.7	Very high	31 Å²	31	40.1 Å²	40.1	17%	0.166	23%	0.233	C	C	.	.	H	α-helix	trans	-61.4	-43.8	176.1	-77.3	-7.1	0	0	0	111.8	C226 M227 T228 I232 V233 L234 E256 L257	C226-N230 PolarHBondContact O-N 3.44Å; M227-N230 PolarHBondContact O-N 3.39Å; T228-N230 VanDerWaalsContact C-N 3.35Å; T228-N230 PolarHBondContact O-N 3.07Å; N230-I232 VanDerWaalsContact C-N 3.32Å; N230-I232 PolarHBondContact O-N 2.99Å; N230-V233 PolarHBondContact O-N 2.95Å; N230-L234 WeakPolarHBondContact O-CG 3.46Å; N230-L234 PolarHBondContact O-N 2.6Å; N230-E256 PolarHBondContact ND2-OE2 3.03Å; N230-L257 HydrophobicContact CB-CD2 4.44Å; N230-L257 WeakPolarHBondContact OD1-CD2 3.25Å; N230-L257 WeakPolarHBondContact OD1-CG 3.28Å
231	H	91.4	Very high	90.7	Very high	87 Å²	87	49.2 Å²	49.2	40%	0.403	27%	0.268	S	S	.	.	H	α-helix	trans	-61.9	-39.3	178	-171	70.5	0	0	0	112.5	M227 T228 A229 L234 L235	M227-H231 PolarHBondContact O-N 3.16Å; M227-H231 VanDerWaalsContact O-N 3.09Å; T228-H231 PolarHBondContact O-N 3.15Å; A229-H231 VanDerWaalsContact C-N 3.35Å; A229-H231 PolarHBondContact O-N 3.21Å; H231-L234 PolarHBondContact O-N 3.17Å; H231-L235 WeakPolarHBondContact O-CB 3.01Å; H231-L235 PolarHBondContact O-N 3.31Å
232	I	92.5	Very high	90.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.4	-46.2	174	-66.6	-64.7	0	0	0	110.9	R201 I204 L224 T228 A229 N230 L234 L235 L236	R201-I232 HydrophobicContact CG-CD1 3.38Å; I204-I232 HydrophobicContact CD1-CG2 4.31Å; L224-I232 HydrophobicContact CD1-CG1 3.86Å; T228-I232 HydrophobicContact CG2-CG1 4.48Å; T228-I232 WeakPolarHBondContact O-CG1 3.36Å; T228-I232 PolarHBondContact O-N 3.41Å; A229-I232 PolarHBondContact O-N 2.78Å; N230-I232 VanDerWaalsContact C-N 3.32Å; N230-I232 PolarHBondContact O-N 2.99Å; I232-L234 PolarHBondContact O-N 3.04Å; I232-L235 WeakPolarHBondContact O-CB 3.49Å; I232-L235 PolarHBondContact O-N 3.24Å; I232-L236 HydrophobicContact CG2-CD1 4.25Å; I232-L236 HydrophobicContact CG2-CG 4.45Å; I232-L236 WeakPolarHBondContact O-CG 3.48Å; I232-L236 PolarHBondContact O-N 2.99Å
233	V	93.1	Very high	90.9	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-64.1	-42.2	-179.8	177.4	0	0	0	0	111.6	T221 A229 N230 L235 L236 V237 L257 F261	T221-V233 HydrophobicContact CG2-CG2 3.72Å; A229-V233 PolarHBondContact O-N 3.46Å; A229-V233 VanDerWaalsContact O-N 3.1Å; N230-V233 PolarHBondContact O-N 2.95Å; V233-L235 VanDerWaalsContact C-N 3.28Å; V233-L235 PolarHBondContact O-N 3.38Å; V233-L236 WeakPolarHBondContact O-CB 3.48Å; V233-L236 PolarHBondContact O-N 2.9Å; V233-L236 VanDerWaalsContact O-N 3.09Å; V233-V237 WeakPolarHBondContact O-CG2 3.38Å; V233-V237 PolarHBondContact O-N 3.45Å; V233-L257 HydrophobicContact CB-CD1 4.41Å; V233-L257 HydrophobicContact CB-CD2 3.92Å; V233-L257 HydrophobicContact CG1-CD2 3.92Å; V233-L257 HydrophobicContact CG2-CD1 3.96Å; V233-L257 HydrophobicContact CG2-CD2 4.38Å; V233-F261 HydrophobicContact CG1-CE1 3.98Å; V233-F261 HydrophobicContact CG1-CE2 4.42Å; V233-F261 HydrophobicContact CG1-CZ 3.66Å
234	L	92.4	Very high	91.3	Very high	81 Å²	81	49.5 Å²	49.5	42%	0.424	24%	0.238	S	C	.	.	H	α-helix	trans	-58.5	-41.4	175	-70.8	174.3	0	0	0	112.2	N230 H231 I232 L236 V237 E238 H260	N230-L234 WeakPolarHBondContact O-CG 3.46Å; N230-L234 PolarHBondContact O-N 2.6Å; H231-L234 PolarHBondContact O-N 3.17Å; I232-L234 PolarHBondContact O-N 3.04Å; L234-L236 VanDerWaalsContact C-N 3.35Å; L234-V237 PolarHBondContact O-N 2.65Å; L234-E238 PolarHBondContact O-N 3.4Å; L234-H260 VanDerWaalsContact CD2-CD2 3.44Å; L234-H260 WeakPolarHBondContact CD2-CD2 2.99Å; L234-H260 WeakPolarHBondContact CD2-NE2 3.33Å
235	L	93.4	Very high	91.7	Very high	12 Å²	12	48.1 Å²	48.1	6%	0.063	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-37.9	175.3	175.6	140.5	0	0	0	112.1	L176 I204 H231 I232 V233 E238 L239	L176-L235 HydrophobicContact CB-CD1 4.47Å; L176-L235 HydrophobicContact CD2-CD1 3.64Å; L176-L235 HydrophobicContact CD2-CD2 3.49Å; L176-L235 VanDerWaalsContact CD2-CD2 3.49Å; L176-L235 HydrophobicContact CD2-CG 3.87Å; I204-L235 HydrophobicContact CD1-CD2 4.21Å; H231-L235 WeakPolarHBondContact O-CB 3.01Å; H231-L235 PolarHBondContact O-N 3.31Å; I232-L235 WeakPolarHBondContact O-CB 3.49Å; I232-L235 PolarHBondContact O-N 3.24Å; V233-L235 VanDerWaalsContact C-N 3.28Å; V233-L235 PolarHBondContact O-N 3.38Å; L235-E238 PolarHBondContact O-N 2.99Å; L235-L239 HydrophobicContact CD2-CD1 4Å; L235-L239 WeakPolarHBondContact O-CG 3.32Å; L235-L239 PolarHBondContact O-N 3.29Å
236	L	94.7	Very high	92.1	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-65.4	-38.2	174.3	-65.6	176.5	0	0	0	112.4	I204 L217 P220 I232 V233 L234 L239 A240 V246 V248	I204-L236 HydrophobicContact CD1-CD2 4.13Å; L217-L236 HydrophobicContact CD1-CD2 4.18Å; L217-L236 HydrophobicContact CD2-CD1 3.88Å; L217-L236 HydrophobicContact CD2-CD2 3.35Å; L217-L236 HydrophobicContact CD2-CG 4.26Å; L217-L236 HydrophobicContact CG-CD2 4.45Å; P220-L236 HydrophobicContact CG-CD1 4.12Å; I232-L236 HydrophobicContact CG2-CD1 4.25Å; I232-L236 HydrophobicContact CG2-CG 4.45Å; I232-L236 WeakPolarHBondContact O-CG 3.48Å; I232-L236 PolarHBondContact O-N 2.99Å; V233-L236 WeakPolarHBondContact O-CB 3.48Å; V233-L236 PolarHBondContact O-N 2.9Å; V233-L236 VanDerWaalsContact O-N 3.09Å; L234-L236 VanDerWaalsContact C-N 3.35Å; L236-L239 HydrophobicContact CD2-CD1 4.25Å; L236-L239 PolarHBondContact O-N 2.84Å; L236-A240 PolarHBondContact O-N 2.91Å; L236-V246 HydrophobicContact CB-CG1 4.29Å; L236-V248 HydrophobicContact CD1-CG2 3.87Å
237	V	94.4	Very high	92.6	Very high	13 Å²	13	41.7 Å²	41.7	8%	0.079	19%	0.192	C	C	.	.	H	α-helix	trans	-64.6	-41.1	173.3	174.5	0	0	0	0	110.7	T82 V233 L234 L239 A240 R241 H260	T82-V237 HydrophobicContact CG2-CB 4.36Å; T82-V237 HydrophobicContact CG2-CG2 3.97Å; V233-V237 WeakPolarHBondContact O-CG2 3.38Å; V233-V237 PolarHBondContact O-N 3.45Å; L234-V237 PolarHBondContact O-N 2.65Å; V237-L239 VanDerWaalsContact C-N 3.34Å; V237-L239 PolarHBondContact O-N 3.12Å; V237-A240 WeakPolarHBondContact O-CB 3.38Å; V237-A240 PolarHBondContact O-N 3.04Å; V237-R241 WeakPolarHBondContact O-CG 3.45Å; V237-R241 PolarHBondContact O-N 3Å; V237-H260 HydrophobicContact CG2-CB 4.41Å
238	E	93.4	Very high	93	Very high	90 Å²	90	34.4 Å²	34.4	42%	0.421	16%	0.157	S	C	.	.	H	α-helix	trans	-62.8	-41.3	174.6	-167.8	-178.3	163.6	0	0	111.9	L234 L235 A240 R241 R242	L234-E238 PolarHBondContact O-N 3.4Å; L235-E238 PolarHBondContact O-N 2.99Å; E238-A240 VanDerWaalsContact C-N 3.31Å; E238-A240 PolarHBondContact O-N 3.31Å; E238-R241 WeakPolarHBondContact O-CB 3.42Å; E238-R241 PolarHBondContact O-N 2.88Å; E238-R242 PolarHBondContact O-N 3.16Å; E238-R242 IonicContact OE1-CZ 3.37Å; E238-R242 IonicContact OE1-NE 2.77Å; E238-R242 IonicContact OE1-NH2 3.48Å; E238-R242 PolarHBondContact OE1-NH2 3.02Å
239	L	93.1	Very high	93.3	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-38.3	174.9	-70.8	173.5	0	0	0	112.2	E175 L176 I204 L208 L235 L236 V237 R242 R244	E175-L239 HydrophobicContact CG-CD2 4.3Å; L176-L239 HydrophobicContact CD2-CD1 4.38Å; I204-L239 HydrophobicContact CG2-CD1 3.93Å; L208-L239 HydrophobicContact CD1-CD1 4.04Å; L208-L239 HydrophobicContact CD1-CD2 3.69Å; L208-L239 HydrophobicContact CD2-CD1 4.4Å; L208-L239 HydrophobicContact CD2-CD2 4.06Å; L235-L239 HydrophobicContact CD2-CD1 4Å; L235-L239 WeakPolarHBondContact O-CG 3.32Å; L235-L239 PolarHBondContact O-N 3.29Å; L236-L239 HydrophobicContact CD2-CD1 4.25Å; L236-L239 PolarHBondContact O-N 2.84Å; V237-L239 VanDerWaalsContact C-N 3.34Å; V237-L239 PolarHBondContact O-N 3.12Å; L239-R242 PolarHBondContact O-N 3.17Å; L239-R244 WeakPolarHBondContact O-CB 3.14Å; L239-R244 WeakPolarHBondContact O-CG 3.27Å
240	A	94.2	Very high	93.3	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-62.4	-46.9	174.9	0	0	0	0	0	111.2	G80 T82 L236 V237 E238 R242 N243 R244 V246	G80-A240 VanDerWaalsContact CA-O 3.23Å; G80-A240 WeakPolarHBondContact CA-O 3.48Å; T82-A240 HydrophobicContact CG2-CB 3.46Å; T82-A240 VanDerWaalsContact CG2-CB 3.46Å; L236-A240 PolarHBondContact O-N 2.91Å; V237-A240 WeakPolarHBondContact O-CB 3.38Å; V237-A240 PolarHBondContact O-N 3.04Å; E238-A240 VanDerWaalsContact C-N 3.31Å; E238-A240 PolarHBondContact O-N 3.31Å; A240-R242 PolarHBondContact O-N 2.92Å; A240-N243 PolarHBondContact O-N 3.18Å; A240-N243 VanDerWaalsContact O-N 3.08Å; A240-R244 WeakPolarHBondContact CA-O 3.09Å; A240-R244 PolarHBondContact O-N 2.9Å; A240-V246 HydrophobicContact CB-CB 4.26Å; A240-V246 HydrophobicContact CB-CG2 3.78Å
241	R	92.2	Very high	92.8	Very high	192 Å²	192	33.5 Å²	33.5	73%	0.725	15%	0.147	S	C	*	.	H	α-helix	trans	-55.5	-26.9	177	-71.8	178.4	-175.8	158.1	2.2	113.3	V237 E238 N243	V237-R241 WeakPolarHBondContact O-CG 3.45Å; V237-R241 PolarHBondContact O-N 3Å; E238-R241 WeakPolarHBondContact O-CB 3.42Å; E238-R241 PolarHBondContact O-N 2.88Å; R241-N243 PolarHBondContact O-N 3.3Å
242	R	90.6	Very high	92.1	Very high	116 Å²	116	35.6 Å²	35.6	44%	0.438	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	39.4	172.8	-62.6	179.7	-176	-147.5	0.3	112.9	E175 E238 L239 A240 R244	E175-R242 WeakPolarHBondContact OE1-CD 3.39Å; E175-R242 IonicContact OE1-CZ 3.67Å; E175-R242 IonicContact OE1-NE 3.45Å; E175-R242 PolarHBondContact OE1-NE 3.09Å; E175-R242 IonicContact OE1-NH1 2.65Å; E175-R242 PolarHBondContact OE1-NH1 3Å; E238-R242 PolarHBondContact O-N 3.16Å; E238-R242 IonicContact OE1-CZ 3.37Å; E238-R242 IonicContact OE1-NE 2.77Å; E238-R242 IonicContact OE1-NH2 3.48Å; E238-R242 PolarHBondContact OE1-NH2 3.02Å; L239-R242 PolarHBondContact O-N 3.17Å; A240-R242 PolarHBondContact O-N 2.92Å; R242-R244 PolarHBondContact O-N 2.81Å
243	N	91	Very high	91.6	Very high	22 Å²	22	35.8 Å²	35.8	12%	0.118	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	51.8	177.4	-166	14.9	0	0	0	112	E34 S79 K213 A240 R241	E34-N243 PolarHBondContact OE2-ND2 2.97Å; S79-N243 VanDerWaalsContact CB-OD1 3.24Å; S79-N243 WeakPolarHBondContact CB-OD1 3.29Å; S79-N243 WeakPolarHBondContact OG-CA 3.39Å; S79-N243 PolarHBondContact OG-O 3.31Å; S79-N243 VanDerWaalsContact OG-O 3.12Å; S79-N243 PolarHBondContact OG-OD1 3.46Å; K213-N243 WeakPolarHBondContact CD-O 3Å; A240-N243 PolarHBondContact O-N 3.18Å; A240-N243 VanDerWaalsContact O-N 3.08Å; R241-N243 PolarHBondContact O-N 3.3Å
244	R	92.6	Very high	91.1	Very high	19 Å²	19	41.2 Å²	41.2	7%	0.072	18%	0.178	C	C	.	.			trans	-125.7	152.9	171.3	-54.8	-176.7	-168.1	-95.6	4.3	110.5	S79 G80 D211 P212 K213 L239 A240 R242	S79-R244 PolarHBondContact OG-N 3.48Å; G80-R244 PolarHBondContact N-O 3.29Å; D211-R244 IonicContact OD1-NH2 2.82Å; P212-R244 PolarHBondContact O-NH1 3.42Å; K213-R244 CarbonylContact O-C 3.59Å; K213-R244 WeakPolarHBondContact O-CA 3.42Å; L239-R244 WeakPolarHBondContact O-CB 3.14Å; L239-R244 WeakPolarHBondContact O-CG 3.27Å; A240-R244 WeakPolarHBondContact CA-O 3.09Å; A240-R244 PolarHBondContact O-N 2.9Å; R242-R244 PolarHBondContact O-N 2.81Å
245	I	94.8	Very high	90.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.5	168.3	-65.1	179.6	0	0	0	107.4	H37 L39 I77 K213 V214 M215 I247	H37-I245 HydrophobicContact CB-CD1 4.28Å; L39-I245 HydrophobicContact CB-CD1 3.85Å; L39-I245 HydrophobicContact CD2-CG2 4.3Å; I77-I245 HydrophobicContact CB-CG2 4.46Å; I77-I245 HydrophobicContact CD1-CG2 3.93Å; I77-I245 HydrophobicContact CG1-CG2 4.19Å; I77-I245 HydrophobicContact CG2-CG2 3.49Å; I77-I245 VanDerWaalsContact CG2-CG2 3.49Å; K213-I245 PolarHBondContact O-N 2.68Å; V214-I245 HydrophobicContact CG1-CB 4.4Å; V214-I245 HydrophobicContact CG1-CG2 4.24Å; V214-I245 HydrophobicContact CG2-CB 4.33Å; V214-I245 HydrophobicContact CG2-CD1 4.26Å; M215-I245 PolarHBondContact N-O 2.84Å; I245-I247 HydrophobicContact CG2-CG1 4.47Å
246	V	96.5	Very high	90.5	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	117.7	179.6	-177.8	0	0	0	0	110	Q81 T82 M83 M215 L217 L236 A240 V248	Q81-V246 PolarHBondContact O-N 2.92Å; T82-V246 CarbonylContact C-O 3.59Å; T82-V246 WeakPolarHBondContact CA-O 3.35Å; T82-V246 HydrophobicContact CG2-CB 4.31Å; M83-V246 PolarHBondContact N-O 2.97Å; M215-V246 WeakPolarHBondContact O-CA 3.47Å; L217-V246 HydrophobicContact CD1-CG1 3.78Å; L236-V246 HydrophobicContact CB-CG1 4.29Å; A240-V246 HydrophobicContact CB-CB 4.26Å; A240-V246 HydrophobicContact CB-CG2 3.78Å; V246-V248 HydrophobicContact CG1-CG2 3.86Å
247	I	96.7	Very high	90.2	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.9	174	-61.1	166.5	0	0	0	108.4	L39 I77 M83 I85 L97 M215 M216 L217 I245	L39-I247 HydrophobicContact CD2-CD1 3.47Å; L39-I247 VanDerWaalsContact CD2-CD1 3.47Å; I77-I247 HydrophobicContact CD1-CG1 4.27Å; I77-I247 HydrophobicContact CG2-CD1 4.42Å; M83-I247 HydrophobicContact CB-CG1 4.26Å; M83-I247 CarbonylContact O-C 3.57Å; M83-I247 WeakPolarHBondContact O-CA 3.48Å; I85-I247 HydrophobicContact CD1-CG2 3.57Å; I85-I247 HydrophobicContact CG1-CG2 4.13Å; L97-I247 HydrophobicContact CD1-CG2 4.25Å; M215-I247 PolarHBondContact O-N 3.38Å; M216-I247 CarbonylContact C-O 3.53Å; M216-I247 WeakPolarHBondContact CA-O 3.31Å; M216-I247 HydrophobicContact CE-CD1 4.2Å; M216-I247 HydrophobicContact CG-CB 4.35Å; M216-I247 HydrophobicContact CG-CD1 4.45Å; L217-I247 PolarHBondContact N-O 3.25Å; I245-I247 HydrophobicContact CG2-CG1 4.47Å
248	V	95.7	Very high	89.8	Confident	2 Å²	2	44 Å²	44	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.5	-177.3	-172.7	0	0	0	0	109.8	M83 C84 I85 L217 P220 L236 V246 I250	M83-V248 PolarHBondContact O-N 2.9Å; C84-V248 CarbonylContact C-O 3.57Å; C84-V248 WeakPolarHBondContact CA-O 3.34Å; I85-V248 PolarHBondContact N-O 2.73Å; L217-V248 HydrophobicContact CB-CG2 4.41Å; L217-V248 HydrophobicContact CD1-CG2 4.31Å; L217-V248 WeakPolarHBondContact O-CA 3.2Å; P220-V248 VanDerWaalsContact CD-CG1 3.4Å; P220-V248 HydrophobicContact CG-CG1 3.36Å; L236-V248 HydrophobicContact CD1-CG2 3.87Å; V246-V248 HydrophobicContact CG1-CG2 3.86Å; V248-I250 HydrophobicContact CG1-CD1 4.22Å; V248-I250 HydrophobicContact CG1-CG1 3.8Å
249	T	94.7	Very high	89.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	137.1	162.8	44.4	0	0	0	0	110.8	I85 K93 L97 L217 D218 E219 P220	I85-T249 HydrophobicContact CB-CG2 3.85Å; I85-T249 HydrophobicContact CG2-CG2 4.15Å; I85-T249 WeakPolarHBondContact O-CA 3.18Å; K93-T249 HydrophobicContact CB-CG2 3.68Å; K93-T249 HydrophobicContact CD-CG2 4.32Å; K93-T249 HydrophobicContact CG-CG2 4.33Å; L97-T249 HydrophobicContact CD1-CG2 3.31Å; L217-T249 PolarHBondContact O-N 2.85Å; L217-T249 PolarHBondContact O-OG1 3Å; D218-T249 VanDerWaalsContact CA-OG1 3.27Å; D218-T249 WeakPolarHBondContact CA-OG1 3.04Å; D218-T249 PolarHBondContact OD1-OG1 2.94Å; E219-T249 WeakPolarHBondContact CA-O 3.45Å; E219-T249 PolarHBondContact N-O 3.3Å; E219-T249 PolarHBondContact N-OG1 2.87Å; P220-T249 WeakPolarHBondContact CD-O 3.1Å
250	I	90.3	Very high	89.3	Confident	0 Å²	0	50 Å²	50	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.2	174.9	-54.4	-177.6	0	0	0	108.8	I85 L86 V248 P253 F261	I85-I250 PolarHBondContact O-N 2.81Å; I85-I250 VanDerWaalsContact O-N 3.08Å; L86-I250 HydrophobicContact CD2-CB 4.22Å; V248-I250 HydrophobicContact CG1-CD1 4.22Å; V248-I250 HydrophobicContact CG1-CG1 3.8Å; I250-P253 HydrophobicContact CD1-CB 4.39Å; I250-P253 HydrophobicContact CG2-CB 3.91Å; I250-P253 HydrophobicContact CG2-CG 4.32Å; I250-F261 HydrophobicContact CD1-CE2 4.16Å; I250-F261 HydrophobicContact CD1-CZ 3.59Å
251	H	81	Confident	89.3	Confident	57 Å²	57	50.3 Å²	50.3	26%	0.264	22%	0.223	S	C	.	.	S	Bend	trans	-77	-40.7	178.3	-169.1	0.4	0	0	0	112	S89 M303	S89-H251 PolarHBondContact OG-NE2 2.88Å; H251-M303 VanDerWaalsContact O-CE 3.27Å; H251-M303 WeakPolarHBondContact O-CE 3.28Å
252	Q	77.8	Confident	89.4	Confident	131 Å²	131	44.3 Å²	44.3	61%	0.612	21%	0.206	S	C	*	.	S	Bend	trans	-155.1	94.3	177.8	-88.6	171.9	-12.1	0	0	110.2	M303	Q252-M303 HydrophobicContact CG-CE 4.16Å; Q252-M303 HydrophobicContact CG-SD 4.1Å
253	P	81.1	Confident	89.6	Confident	4 Å²	4	39.9 Å²	39.9	3%	0.026	19%	0.19	C	C	.	.			trans	-80	151.3	176.7	33.6	-37.5	0	0	0	112.2	L86 I250 L257 N297 F299	L86-P253 VanDerWaalsContact CD2-CD 3.48Å; L86-P253 HydrophobicContact CD2-CG 3.6Å; I250-P253 HydrophobicContact CD1-CB 4.39Å; I250-P253 HydrophobicContact CG2-CB 3.91Å; I250-P253 HydrophobicContact CG2-CG 4.32Å; P253-L257 HydrophobicContact CB-CD1 4.38Å; P253-N297 PolarHBondContact O-ND2 2.89Å; P253-F299 HydrophobicContact CB-CD2 3.91Å; P253-F299 HydrophobicContact CB-CE2 3.85Å; P253-F299 HydrophobicContact CB-CG 4.35Å; P253-F299 HydrophobicContact CB-CZ 4.31Å; P253-F299 HydrophobicContact CG-CB 3.67Å; P253-F299 HydrophobicContact CG-CD1 3.71Å; P253-F299 HydrophobicContact CG-CD2 3.42Å; P253-F299 VanDerWaalsContact CG-CD2 3.42Å; P253-F299 HydrophobicContact CG-CE1 3.99Å; P253-F299 HydrophobicContact CG-CE2 3.69Å; P253-F299 HydrophobicContact CG-CG 3.37Å; P253-F299 HydrophobicContact CG-CZ 3.95Å
254	R	83.7	Confident	89.9	Confident	115 Å²	115	38.9 Å²	38.9	43%	0.434	18%	0.184	S	C	.	.			trans	-71.4	152	170.4	-69.9	-171.9	161.5	-148.7	-8.7	111.5	C226 E256 L257 F299	C226-R254 PolarHBondContact SG-NH2 3.5Å; R254-E256 PolarHBondContact O-N 2.98Å; R254-L257 WeakPolarHBondContact O-CB 3.36Å; R254-L257 PolarHBondContact O-N 2.84Å; R254-F299 WeakPolarHBondContact O-CD2 3.49Å; R254-F299 WeakPolarHBondContact O-CE2 3.41Å
255	S	87.5	Confident	90	Very high	59 Å²	59	38 Å²	38	41%	0.413	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-54.7	-34.4	175.7	51.4	0	0	0	0	113.2	L257 F258 N297	S255-L257 PolarHBondContact O-N 3.06Å; S255-L257 VanDerWaalsContact O-N 3.15Å; S255-F258 WeakPolarHBondContact O-CB 3.33Å; S255-F258 PolarHBondContact O-N 2.66Å; S255-N297 VanDerWaalsContact CA-OD1 3.26Å; S255-N297 WeakPolarHBondContact CA-OD1 3.28Å; S255-N297 WeakPolarHBondContact CB-OD1 3.15Å; S255-N297 PolarHBondContact N-ND2 2.86Å; S255-N297 PolarHBondContact N-OD1 3.39Å
256	E	85.7	Confident	90	Very high	100 Å²	100	38.1 Å²	38.1	47%	0.467	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-56.7	-30.1	177.3	-64.1	151.7	-175.2	0	0	112.9	N230 R254 F258 H260	N230-E256 PolarHBondContact ND2-OE2 3.03Å; R254-E256 PolarHBondContact O-N 2.98Å; E256-F258 VanDerWaalsContact C-N 3.3Å; E256-H260 PolarHBondContact O-CE1 3.31Å; E256-H260 VanDerWaalsContact O-CE1 3.25Å; E256-H260 PolarHBondContact O-ND1 2.8Å
257	L	86.8	Confident	89.9	Confident	7 Å²	7	38.1 Å²	38.1	4%	0.037	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-83.5	-7.5	-178.9	-59.7	176.9	0	0	0	112.8	N230 V233 P253 R254 S255 H259 H260 F261 F299	N230-L257 HydrophobicContact CB-CD2 4.44Å; N230-L257 WeakPolarHBondContact OD1-CD2 3.25Å; N230-L257 WeakPolarHBondContact OD1-CG 3.28Å; V233-L257 HydrophobicContact CB-CD1 4.41Å; V233-L257 HydrophobicContact CB-CD2 3.92Å; V233-L257 HydrophobicContact CG1-CD2 3.92Å; V233-L257 HydrophobicContact CG2-CD1 3.96Å; V233-L257 HydrophobicContact CG2-CD2 4.38Å; P253-L257 HydrophobicContact CB-CD1 4.38Å; R254-L257 WeakPolarHBondContact O-CB 3.36Å; R254-L257 PolarHBondContact O-N 2.84Å; S255-L257 PolarHBondContact O-N 3.06Å; S255-L257 VanDerWaalsContact O-N 3.15Å; L257-H259 VanDerWaalsContact C-N 3.34Å; L257-H259 PolarHBondContact O-N 2.66Å; L257-H260 WeakPolarHBondContact O-CB 3.1Å; L257-H260 PolarHBondContact O-N 2.86Å; L257-F261 HydrophobicContact CB-CE2 4.04Å; L257-F261 VanDerWaalsContact O-CD2 3.31Å; L257-F261 WeakPolarHBondContact O-CD2 3.48Å; L257-F299 HydrophobicContact CB-CE2 4.34Å
258	F	86.3	Confident	89.7	Confident	3 Å²	3	38.1 Å²	38.1	1%	0.013	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-59.3	-45	-171.1	-172.4	-108.8	0	0	0	112.9	S255 E256 H260 I264 P278 M281 L282 P298 F299	S255-F258 WeakPolarHBondContact O-CB 3.33Å; S255-F258 PolarHBondContact O-N 2.66Å; E256-F258 VanDerWaalsContact C-N 3.3Å; F258-H260 VanDerWaalsContact C-N 3.28Å; F258-H260 PolarHBondContact O-N 2.9Å; F258-I264 HydrophobicContact CD2-CD1 3.95Å; F258-I264 HydrophobicContact CE2-CD1 3.6Å; F258-I264 HydrophobicContact CZ-CD1 4.31Å; F258-P278 HydrophobicContact CD1-CB 4.08Å; F258-P278 HydrophobicContact CE1-CB 3.54Å; F258-P278 HydrophobicContact CE2-CB 4.24Å; F258-P278 HydrophobicContact CZ-CB 3.62Å; F258-P278 WeakPolarHBondContact O-CG 3.17Å; F258-M281 HydrophobicContact CE2-CE 3.28Å; F258-M281 HydrophobicContact CZ-CE 3.51Å; F258-L282 HydrophobicContact CE1-CD1 3.96Å; F258-L282 HydrophobicContact CE1-CG 4.33Å; F258-L282 HydrophobicContact CZ-CD1 4.37Å; F258-L282 HydrophobicContact CZ-CG 4.23Å; F258-P298 HydrophobicContact CD1-CG 4.48Å; F258-P298 HydrophobicContact CD2-CB 4.17Å; F258-P298 HydrophobicContact CE1-CB 4.45Å; F258-P298 HydrophobicContact CE2-CB 3.94Å; F258-P298 HydrophobicContact CZ-CB 4.08Å; F258-F299 VanDerWaalsContact CA-CZ 3.45Å; F258-F299 HydrophobicContact CB-CD2 4.12Å; F258-F299 HydrophobicContact CB-CE2 3.61Å; F258-F299 HydrophobicContact CB-CZ 4.06Å; F258-F299 AromaticContact CD2-CD1 3.81Å; F258-F299 HydrophobicContact CD2-CD1 3.81Å; F258-F299 AromaticContact CD2-CD2 3.87Å; F258-F299 HydrophobicContact CD2-CD2 3.87Å; F258-F299 AromaticContact CD2-CE1 3.58Å; F258-F299 HydrophobicContact CD2-CE1 3.58Å; F258-F299 AromaticContact CD2-CE2 3.68Å; F258-F299 HydrophobicContact CD2-CE2 3.68Å; F258-F299 AromaticContact CD2-CG 3.98Å; F258-F299 HydrophobicContact CD2-CG 3.98Å; F258-F299 AromaticContact CD2-CZ 3.55Å; F258-F299 HydrophobicContact CD2-CZ 3.55Å; F258-F299 HydrophobicContact CE2-CD1 4.2Å; F258-F299 HydrophobicContact CE2-CE1 4.09Å; F258-F299 HydrophobicContact CE2-CZ 4.45Å; F258-F299 HydrophobicContact CG-CD2 4.49Å; F258-F299 HydrophobicContact CG-CE2 4.16Å; F258-F299 HydrophobicContact CG-CZ 4.28Å
259	H	86.5	Confident	89.3	Confident	147 Å²	147	42.1 Å²	42.1	68%	0.681	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-83.3	-1.3	-179.3	-58.4	-70.1	0	0	0	113.9	L257	L257-H259 VanDerWaalsContact C-N 3.34Å; L257-H259 PolarHBondContact O-N 2.66Å
260	H	90.6	Very high	89.1	Confident	72 Å²	72	42.1 Å²	42.1	33%	0.333	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-89.4	-17.6	-178.7	-69.7	88.2	0	0	0	113.2	T82 L234 V237 E256 L257 F258	T82-H260 PolarHBondContact OG1-O 3.05Å; L234-H260 VanDerWaalsContact CD2-CD2 3.44Å; L234-H260 WeakPolarHBondContact CD2-CD2 2.99Å; L234-H260 WeakPolarHBondContact CD2-NE2 3.33Å; V237-H260 HydrophobicContact CG2-CB 4.41Å; E256-H260 PolarHBondContact O-CE1 3.31Å; E256-H260 VanDerWaalsContact O-CE1 3.25Å; E256-H260 PolarHBondContact O-ND1 2.8Å; L257-H260 WeakPolarHBondContact O-CB 3.1Å; L257-H260 PolarHBondContact O-N 2.86Å; F258-H260 VanDerWaalsContact C-N 3.28Å; F258-H260 PolarHBondContact O-N 2.9Å
261	F	93.1	Very high	89.2	Confident	8 Å²	8	43.3 Å²	43.3	4%	0.035	20%	0.203	C	C	.	.			trans	-94.9	131.3	179.2	-63.8	-68.6	0	0	0	111.6	T82 C84 V233 I250 L257 I264 P278 F299	T82-F261 WeakPolarHBondContact OG1-CA 3.43Å; C84-F261 HydrophobicContact CB-CB 4.22Å; C84-F261 HydrophobicContact CB-CD1 3.61Å; C84-F261 HydrophobicContact CB-CD2 3.75Å; C84-F261 HydrophobicContact CB-CE1 3.8Å; C84-F261 HydrophobicContact CB-CE2 3.93Å; C84-F261 HydrophobicContact CB-CG 3.58Å; C84-F261 HydrophobicContact CB-CZ 3.96Å; V233-F261 HydrophobicContact CG1-CE1 3.98Å; V233-F261 HydrophobicContact CG1-CE2 4.42Å; V233-F261 HydrophobicContact CG1-CZ 3.66Å; I250-F261 HydrophobicContact CD1-CE2 4.16Å; I250-F261 HydrophobicContact CD1-CZ 3.59Å; L257-F261 HydrophobicContact CB-CE2 4.04Å; L257-F261 VanDerWaalsContact O-CD2 3.31Å; L257-F261 WeakPolarHBondContact O-CD2 3.48Å; F261-I264 HydrophobicContact CB-CG1 4.12Å; F261-P278 WeakPolarHBondContact O-CD 3.43Å; F261-P278 VanDerWaalsContact O-CG 3.24Å; F261-P278 WeakPolarHBondContact O-CG 3.49Å; F261-F299 AromaticContact CD2-CZ 3.97Å; F261-F299 HydrophobicContact CD2-CZ 3.97Å; F261-F299 HydrophobicContact CE2-CZ 4.22Å
262	D	94.7	Very high	89.8	Confident	66 Å²	66	41.4 Å²	41.4	35%	0.353	20%	0.195	S	C	.	.	S	Bend	trans	-71.8	-37.4	176.4	-55.8	-84.6	0	0	0	111.4	Q81 T82	Q81-D262 WeakPolarHBondContact CA-OD2 3.48Å; Q81-D262 HydrophobicContact CB-CB 4.03Å; Q81-D262 HydrophobicContact CG-CB 4.32Å; T82-D262 PolarHBondContact N-OD2 3.27Å; T82-D262 PolarHBondContact O-N 2.71Å; T82-D262 PolarHBondContact OG1-N 2.98Å; T82-D262 PolarHBondContact OG1-OD2 3.19Å
263	K	95.6	Very high	90.6	Very high	24 Å²	24	35.1 Å²	35.1	10%	0.104	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139	175.1	-66.8	-158	176.5	-169.2	0	112.1	Y76 T82 M83 C84 G276	Y76-K263 WeakPolarHBondContact O-CD 3.1Å; Y76-K263 PolarHBondContact O-NZ 3.38Å; T82-K263 PolarHBondContact O-N 3.45Å; M83-K263 CarbonylContact C-O 3.58Å; M83-K263 VanDerWaalsContact CA-O 3.28Å; M83-K263 WeakPolarHBondContact CA-O 3.37Å; M83-K263 HydrophobicContact CB-CB 4.31Å; M83-K263 HydrophobicContact CE-CB 4.03Å; M83-K263 HydrophobicContact CE-CD 3.9Å; M83-K263 HydrophobicContact CG-CB 4.35Å; C84-K263 PolarHBondContact N-O 3.18Å; K263-G276 CarbonylContact C-O 3.58Å; K263-G276 WeakPolarHBondContact CA-O 3.41Å
264	I	95.8	Very high	91.3	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.8	173	-61.7	167.1	0	0	0	107.6	C84 L86 F258 F261 C275 G276 P278 M281 F299	C84-I264 CarbonylContact O-C 3.5Å; C84-I264 WeakPolarHBondContact O-CA 3.4Å; L86-I264 HydrophobicContact CD1-CG2 3.57Å; L86-I264 HydrophobicContact CG-CG2 4.4Å; F258-I264 HydrophobicContact CD2-CD1 3.95Å; F258-I264 HydrophobicContact CE2-CD1 3.6Å; F258-I264 HydrophobicContact CZ-CD1 4.31Å; F261-I264 HydrophobicContact CB-CG1 4.12Å; I264-C275 VanDerWaalsContact O-CA 3.31Å; I264-C275 WeakPolarHBondContact O-CA 3.27Å; I264-G276 PolarHBondContact N-O 2.94Å; I264-G276 PolarHBondContact O-N 2.97Å; I264-P278 HydrophobicContact CD1-CB 4.01Å; I264-P278 HydrophobicContact CD1-CG 3.8Å; I264-P278 HydrophobicContact CG1-CG 4.48Å; I264-M281 HydrophobicContact CB-SD 4.5Å; I264-M281 HydrophobicContact CG2-SD 3.95Å; I264-F299 HydrophobicContact CD1-CE1 3.63Å; I264-F299 HydrophobicContact CD1-CZ 4.14Å; I264-F299 HydrophobicContact CG1-CE1 4.22Å; I264-F299 HydrophobicContact CG2-CE1 4.38Å
265	A	95.5	Very high	91.9	Very high	2 Å²	2	29.5 Å²	29.5	2%	0.017	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.1	174	0	0	0	0	0	109.8	C84 I85 L86 L272 F274 C275	C84-A265 PolarHBondContact O-N 3Å; I85-A265 CarbonylContact C-O 3.53Å; I85-A265 WeakPolarHBondContact CA-O 3.46Å; I85-A265 HydrophobicContact CG1-CB 4.38Å; L86-A265 PolarHBondContact N-O 2.91Å; A265-L272 HydrophobicContact CB-CD1 4.13Å; A265-F274 CarbonylContact C-O 3.58Å; A265-F274 WeakPolarHBondContact CA-O 3.02Å; A265-C275 HydrophobicContact CB-CB 4.26Å
266	I	95.1	Very high	92.3	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.8	178.2	-58.2	179.5	0	0	0	109.2	L86 V273 F274 M281 F285 T306	L86-I266 HydrophobicContact CB-CG1 4.41Å; I266-V273 HydrophobicContact CG2-CB 4.43Å; I266-V273 PolarHBondContact O-N 2.77Å; I266-F274 PolarHBondContact N-O 3.01Å; I266-M281 HydrophobicContact CD1-SD 3.95Å; I266-F285 HydrophobicContact CD1-CE2 3.97Å; I266-F285 HydrophobicContact CD1-CZ 4Å; I266-T306 HydrophobicContact CD1-CG2 4.49Å; I266-T306 HydrophobicContact CG2-CG2 4.07Å; I266-T306 WeakPolarHBondContact CG2-OG1 3.07Å
267	L	93.8	Very high	92.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.2	-179.9	-150.6	78.9	0	0	0	110.5	L70 V73 L86 G87 S91 G92 L96 E271 L272	L70-L267 HydrophobicContact CD2-CD2 4Å; V73-L267 HydrophobicContact CG2-CD1 4.11Å; L86-L267 PolarHBondContact O-N 3Å; G87-L267 VanDerWaalsContact CA-O 3.26Å; G87-L267 WeakPolarHBondContact CA-O 3.25Å; S91-L267 WeakPolarHBondContact CB-O 3.44Å; S91-L267 WeakPolarHBondContact O-CD2 3.47Å; G92-L267 VanDerWaalsContact C-CD2 3.46Å; L96-L267 HydrophobicContact CB-CD2 4.37Å; L96-L267 HydrophobicContact CD2-CD1 4.14Å; L96-L267 HydrophobicContact CD2-CD2 4.19Å; L267-E271 WeakPolarHBondContact CA-O 3.44Å; L267-E271 WeakPolarHBondContact CD1-O 3.16Å; L267-L272 HydrophobicContact CD1-CB 4.33Å; L267-L272 HydrophobicContact CD1-CD1 4.21Å
268	T	92.1	Very high	93	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.012	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	122	179.2	-65.7	0	0	0	0	109.8	G270 E271 T306 V308 V323	T268-G270 PolarHBondContact O-N 3.13Å; T268-E271 PolarHBondContact N-O 2.75Å; T268-E271 PolarHBondContact O-N 2.62Å; T268-T306 WeakPolarHBondContact CB-O 3.38Å; T268-T306 WeakPolarHBondContact CG2-O 3.01Å; T268-T306 PolarHBondContact OG1-O 2.77Å; T268-V308 HydrophobicContact CG2-CG2 4.31Å; T268-V323 HydrophobicContact CG2-CG1 3.68Å; T268-V323 HydrophobicContact CG2-CG2 4.26Å
269	Y	87.9	Confident	93.3	Very high	85 Å²	85	31.9 Å²	31.9	33%	0.333	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.4	35.5	-177.8	-71.7	-96	0	0	0	114.8	V308	Y269-V308 HydrophobicContact CD2-CB 4.3Å; Y269-V308 HydrophobicContact CD2-CG2 3.8Å; Y269-V308 HydrophobicContact CE2-CB 3.49Å; Y269-V308 VanDerWaalsContact CE2-CB 3.49Å; Y269-V308 HydrophobicContact CE2-CG1 4.46Å; Y269-V308 HydrophobicContact CE2-CG2 3.51Å
270	G	89.8	Confident	93.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	-3.2	179.7	0	0	0	0	0	116.2	I69 K71 S91 T268	I69-G270 WeakPolarHBondContact O-CA 3.19Å; K71-G270 PolarHBondContact N-O 3.11Å; S91-G270 WeakPolarHBondContact O-CA 3.24Å; S91-G270 PolarHBondContact O-N 2.93Å; T268-G270 PolarHBondContact O-N 3.13Å
271	E	92.3	Very high	93.9	Very high	26 Å²	26	24.2 Å²	24.2	12%	0.121	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	142	179.6	-65.3	173.3	168.2	0	0	109.8	K71 L267 T268 E327	K71-E271 HydrophobicContact CB-CG 3.93Å; K71-E271 HydrophobicContact CD-CG 3.56Å; K71-E271 WeakPolarHBondContact CD-OE1 3.23Å; K71-E271 WeakPolarHBondContact CE-OE1 3.27Å; K71-E271 HydrophobicContact CG-CG 4.36Å; K71-E271 IonicContact NZ-OE1 2.77Å; K71-E271 PolarHBondContact NZ-OE1 3.43Å; L267-E271 WeakPolarHBondContact CA-O 3.44Å; L267-E271 WeakPolarHBondContact CD1-O 3.16Å; T268-E271 PolarHBondContact N-O 2.75Å; T268-E271 PolarHBondContact O-N 2.62Å; E271-E327 HydrophobicContact CB-CG 4.36Å
272	L	94.2	Very high	93.9	Very high	16 Å²	16	26.8 Å²	26.8	8%	0.084	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	112.4	175.2	-175	69.7	0	0	0	109.2	V73 S74 A265 L267 F274 C275 F330	V73-L272 HydrophobicContact CG1-CB 4.28Å; V73-L272 HydrophobicContact CG1-CD2 4.34Å; V73-L272 HydrophobicContact CG2-CB 4.49Å; S74-L272 WeakPolarHBondContact O-CD2 3.46Å; A265-L272 HydrophobicContact CB-CD1 4.13Å; L267-L272 HydrophobicContact CD1-CB 4.33Å; L267-L272 HydrophobicContact CD1-CD1 4.21Å; L272-F274 WeakPolarHBondContact CD1-O 3.32Å; L272-C275 HydrophobicContact CD1-CB 4.38Å; L272-C275 HydrophobicContact CD2-CB 4.12Å; L272-F330 HydrophobicContact CD2-CE1 3.93Å; L272-F330 HydrophobicContact CG-CE1 4.15Å
273	V	94.2	Very high	93.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-33.6	-178.5	-177.4	0	0	0	0	111.5	I266 T306 V323 L326 F330	I266-V273 HydrophobicContact CG2-CB 4.43Å; I266-V273 PolarHBondContact O-N 2.77Å; V273-T306 HydrophobicContact CB-CG2 4.43Å; V273-T306 HydrophobicContact CG1-CG2 3.75Å; V273-V323 HydrophobicContact CG2-CG1 4.22Å; V273-L326 HydrophobicContact CG1-CB 3.86Å; V273-F330 WeakPolarHBondContact O-CB 3.4Å; V273-F330 WeakPolarHBondContact O-CG 3.16Å
274	F	95.6	Very high	93.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	148.2	178.4	177.1	-96.2	0	0	0	110.5	A265 I266 L272 G276 E280 M281 F284 F285 F330 I335	A265-F274 CarbonylContact C-O 3.58Å; A265-F274 WeakPolarHBondContact CA-O 3.02Å; I266-F274 PolarHBondContact N-O 3.01Å; L272-F274 WeakPolarHBondContact CD1-O 3.32Å; F274-G276 VanDerWaalsContact CE1-N 3.3Å; F274-E280 HydrophobicContact CZ-CB 4.24Å; F274-M281 HydrophobicContact CD1-CB 4.07Å; F274-M281 HydrophobicContact CD1-CG 3.62Å; F274-M281 HydrophobicContact CD1-SD 4.13Å; F274-M281 HydrophobicContact CE1-CB 3.37Å; F274-M281 HydrophobicContact CE1-CG 3.48Å; F274-M281 VanDerWaalsContact CE1-CG 3.48Å; F274-M281 HydrophobicContact CE1-SD 4.24Å; F274-M281 HydrophobicContact CE2-CB 4.37Å; F274-M281 HydrophobicContact CE2-CG 4.5Å; F274-M281 HydrophobicContact CG-CG 4.23Å; F274-M281 HydrophobicContact CZ-CB 3.56Å; F274-M281 HydrophobicContact CZ-CG 3.96Å; F274-F284 HydrophobicContact CD2-CB 4.09Å; F274-F284 AromaticContact CD2-CD1 3.55Å; F274-F284 HydrophobicContact CD2-CD1 3.55Å; F274-F284 HydrophobicContact CD2-CE1 4.15Å; F274-F284 AromaticContact CD2-CG 3.83Å; F274-F284 HydrophobicContact CD2-CG 3.83Å; F274-F284 HydrophobicContact CE2-CB 3.74Å; F274-F284 HydrophobicContact CE2-CD1 4.12Å; F274-F284 AromaticContact CE2-CG 3.96Å; F274-F284 HydrophobicContact CE2-CG 3.96Å; F274-F284 HydrophobicContact CG-CD1 4.45Å; F274-F285 HydrophobicContact CB-CE2 4.31Å; F274-F285 HydrophobicContact CB-CZ 4.34Å; F274-F285 HydrophobicContact CG-CE2 4.36Å; F274-F330 AromaticContact CD2-CD2 3.99Å; F274-F330 HydrophobicContact CD2-CD2 3.99Å; F274-F330 HydrophobicContact CD2-CE2 4.08Å; F274-I335 HydrophobicContact CE2-CD1 4.06Å
275	C	96.1	Very high	93.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	123.1	166.1	-174.3	0	0	0	0	109.8	I264 A265 L272 F330 I335 I339	I264-C275 VanDerWaalsContact O-CA 3.31Å; I264-C275 WeakPolarHBondContact O-CA 3.27Å; A265-C275 HydrophobicContact CB-CB 4.26Å; L272-C275 HydrophobicContact CD1-CB 4.38Å; L272-C275 HydrophobicContact CD2-CB 4.12Å; C275-F330 HydrophobicContact CB-CZ 3.95Å; C275-F330 VanDerWaalsContact N-CZ 3.28Å; C275-I335 WeakPolarHBondContact O-CG2 3.09Å; C275-I339 HydrophobicContact CB-CD1 3.88Å; C275-I339 WeakPolarHBondContact O-CD1 3.18Å
276	G	95.5	Very high	93.9	Very high	1 Å²	1	29 Å²	29	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175	-170.9	-177.3	0	0	0	0	0	112.6	K263 I264 F274 E280	K263-G276 CarbonylContact C-O 3.58Å; K263-G276 WeakPolarHBondContact CA-O 3.41Å; I264-G276 PolarHBondContact N-O 2.94Å; I264-G276 PolarHBondContact O-N 2.97Å; F274-G276 VanDerWaalsContact CE1-N 3.3Å; G276-E280 WeakPolarHBondContact CA-OE2 3.49Å
277	T	95.5	Very high	93.8	Very high	44 Å²	44	35.7 Å²	35.7	27%	0.27	19%	0.187	S	C	.	.			trans	-73.2	163.1	174	71.8	0	0	0	0	111.8	E279 E280 M281	T277-E279 PolarHBondContact O-N 3.45Å; T277-E280 PolarHBondContact N-OE2 3.07Å; T277-E280 PolarHBondContact O-N 3.48Å; T277-E280 WeakPolarHBondContact OG1-CB 3.35Å; T277-E280 VanDerWaalsContact OG1-CG 3.25Å; T277-E280 WeakPolarHBondContact OG1-CG 3.33Å; T277-E280 PolarHBondContact OG1-N 3.08Å; T277-E280 VanDerWaalsContact OG1-N 3.12Å; T277-M281 PolarHBondContact O-N 3.13Å
278	P	93.1	Very high	93.8	Very high	15 Å²	15	37.5 Å²	37.5	10%	0.097	20%	0.199	C	C	.	.	H	α-helix	trans	-56.8	-37.9	175.7	-23.8	32.6	0	0	0	113.4	F258 F261 I264 M281 L282	F258-P278 HydrophobicContact CD1-CB 4.08Å; F258-P278 HydrophobicContact CE1-CB 3.54Å; F258-P278 HydrophobicContact CE2-CB 4.24Å; F258-P278 HydrophobicContact CZ-CB 3.62Å; F258-P278 WeakPolarHBondContact O-CG 3.17Å; F261-P278 WeakPolarHBondContact O-CD 3.43Å; F261-P278 VanDerWaalsContact O-CG 3.24Å; F261-P278 WeakPolarHBondContact O-CG 3.49Å; I264-P278 HydrophobicContact CD1-CB 4.01Å; I264-P278 HydrophobicContact CD1-CG 3.8Å; I264-P278 HydrophobicContact CG1-CG 4.48Å; P278-M281 WeakPolarHBondContact O-CB 3.2Å; P278-M281 PolarHBondContact O-N 3.49Å; P278-L282 PolarHBondContact O-N 2.92Å
279	E	93.2	Very high	93.9	Very high	159 Å²	159	40 Å²	40	74%	0.743	23%	0.225	S	C	*	.	H	α-helix	trans	-70.6	-43.6	177.1	-63.8	177.6	-176.1	0	0	111.9	T277 M281 L282 G283	T277-E279 PolarHBondContact O-N 3.45Å; E279-M281 PolarHBondContact O-N 2.76Å; E279-L282 PolarHBondContact O-N 3.21Å; E279-G283 PolarHBondContact O-N 3.03Å
280	E	95.1	Very high	94.2	Very high	58 Å²	58	40 Å²	40	27%	0.271	23%	0.225	S	C	.	.	H	α-helix	trans	-60.1	-34.7	174	-75.8	172.8	169.6	0	0	111.2	F274 G276 T277 G283 F284 I335 K338	F274-E280 HydrophobicContact CZ-CB 4.24Å; G276-E280 WeakPolarHBondContact CA-OE2 3.49Å; T277-E280 PolarHBondContact N-OE2 3.07Å; T277-E280 PolarHBondContact O-N 3.48Å; T277-E280 WeakPolarHBondContact OG1-CB 3.35Å; T277-E280 VanDerWaalsContact OG1-CG 3.25Å; T277-E280 WeakPolarHBondContact OG1-CG 3.33Å; T277-E280 PolarHBondContact OG1-N 3.08Å; T277-E280 VanDerWaalsContact OG1-N 3.12Å; E280-G283 PolarHBondContact O-N 2.83Å; E280-F284 VanDerWaalsContact O-CB 3.24Å; E280-F284 WeakPolarHBondContact O-CB 3.47Å; E280-F284 PolarHBondContact O-N 3.18Å; E280-I335 HydrophobicContact CB-CD1 4.27Å; E280-K338 IonicContact OE1-NZ 3.91Å
281	M	94.3	Very high	94.4	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-65.9	-50	177.8	-165.2	-178.4	70.1	0	0	111.9	F258 I264 I266 F274 T277 P278 E279 G283 F284 F285 Y302	F258-M281 HydrophobicContact CE2-CE 3.28Å; F258-M281 HydrophobicContact CZ-CE 3.51Å; I264-M281 HydrophobicContact CB-SD 4.5Å; I264-M281 HydrophobicContact CG2-SD 3.95Å; I266-M281 HydrophobicContact CD1-SD 3.95Å; F274-M281 HydrophobicContact CD1-CB 4.07Å; F274-M281 HydrophobicContact CD1-CG 3.62Å; F274-M281 HydrophobicContact CD1-SD 4.13Å; F274-M281 HydrophobicContact CE1-CB 3.37Å; F274-M281 HydrophobicContact CE1-CG 3.48Å; F274-M281 VanDerWaalsContact CE1-CG 3.48Å; F274-M281 HydrophobicContact CE1-SD 4.24Å; F274-M281 HydrophobicContact CE2-CB 4.37Å; F274-M281 HydrophobicContact CE2-CG 4.5Å; F274-M281 HydrophobicContact CG-CG 4.23Å; F274-M281 HydrophobicContact CZ-CB 3.56Å; F274-M281 HydrophobicContact CZ-CG 3.96Å; T277-M281 PolarHBondContact O-N 3.13Å; P278-M281 WeakPolarHBondContact O-CB 3.2Å; P278-M281 PolarHBondContact O-N 3.49Å; E279-M281 PolarHBondContact O-N 2.76Å; M281-G283 VanDerWaalsContact C-N 3.28Å; M281-G283 PolarHBondContact O-N 2.86Å; M281-F284 PolarHBondContact O-N 3.18Å; M281-F285 HydrophobicContact CG-CD2 3.7Å; M281-F285 HydrophobicContact CG-CE2 3.61Å; M281-F285 WeakPolarHBondContact O-CD2 3.41Å; M281-F285 PolarHBondContact O-N 3.5Å; M281-F285 HydrophobicContact SD-CE2 4.25Å; M281-Y302 HydrophobicContact CE-CD2 3.35Å; M281-Y302 HydrophobicContact CE-CE2 3.72Å; M281-Y302 HydrophobicContact CE-CG 4.34Å; M281-Y302 HydrophobicContact SD-CD2 4.25Å
282	L	93.4	Very high	94.3	Very high	62 Å²	62	43.6 Å²	43.6	33%	0.325	25%	0.251	S	S	.	.	H	α-helix	trans	-58.2	-44	176.8	-70.6	167.7	0	0	0	110.8	F258 P278 E279 N286 C292 P298 Y302	F258-L282 HydrophobicContact CE1-CD1 3.96Å; F258-L282 HydrophobicContact CE1-CG 4.33Å; F258-L282 HydrophobicContact CZ-CD1 4.37Å; F258-L282 HydrophobicContact CZ-CG 4.23Å; P278-L282 PolarHBondContact O-N 2.92Å; E279-L282 PolarHBondContact O-N 3.21Å; L282-N286 VanDerWaalsContact O-CB 3.25Å; L282-N286 WeakPolarHBondContact O-CB 3.17Å; L282-N286 PolarHBondContact O-N 3.18Å; L282-N286 VanDerWaalsContact O-N 3.11Å; L282-C292 HydrophobicContact CD2-CB 4.4Å; L282-P298 HydrophobicContact CD2-CB 4.44Å; L282-Y302 HydrophobicContact CD2-CE2 3.84Å
283	G	94.4	Very high	94.3	Very high	32 Å²	32	46 Å²	46	33%	0.33	27%	0.267	S	S	.	.	H	α-helix	trans	-63	-46.6	176.3	0	0	0	0	0	113.2	E279 E280 M281 N286 N287	E279-G283 PolarHBondContact O-N 3.03Å; E280-G283 PolarHBondContact O-N 2.83Å; M281-G283 VanDerWaalsContact C-N 3.28Å; M281-G283 PolarHBondContact O-N 2.86Å; G283-N286 PolarHBondContact O-N 3.37Å; G283-N287 PolarHBondContact O-N 2.97Å; G283-N287 PolarHBondContact O-ND2 2.95Å
284	F	95.7	Very high	93.8	Very high	14 Å²	14	54.8 Å²	54.8	6%	0.061	31%	0.309	C	S	.	.	H	α-helix	trans	-60.9	-51.6	-179.6	173.8	-100	0	0	0	112	F274 E280 M281 N286 N287 C288 A329 F330 I335	F274-F284 HydrophobicContact CD2-CB 4.09Å; F274-F284 AromaticContact CD2-CD1 3.55Å; F274-F284 HydrophobicContact CD2-CD1 3.55Å; F274-F284 HydrophobicContact CD2-CE1 4.15Å; F274-F284 AromaticContact CD2-CG 3.83Å; F274-F284 HydrophobicContact CD2-CG 3.83Å; F274-F284 HydrophobicContact CE2-CB 3.74Å; F274-F284 HydrophobicContact CE2-CD1 4.12Å; F274-F284 AromaticContact CE2-CG 3.96Å; F274-F284 HydrophobicContact CE2-CG 3.96Å; F274-F284 HydrophobicContact CG-CD1 4.45Å; E280-F284 VanDerWaalsContact O-CB 3.24Å; E280-F284 WeakPolarHBondContact O-CB 3.47Å; E280-F284 PolarHBondContact O-N 3.18Å; M281-F284 PolarHBondContact O-N 3.18Å; F284-N286 VanDerWaalsContact C-N 3.3Å; F284-N286 PolarHBondContact O-N 3.47Å; F284-N287 WeakPolarHBondContact O-CB 3.12Å; F284-N287 PolarHBondContact O-N 2.75Å; F284-N287 VanDerWaalsContact O-N 3.15Å; F284-C288 PolarHBondContact O-N 2.65Å; F284-C288 PolarHBondContact O-SG 3.31Å; F284-C288 VanDerWaalsContact O-SG 3.38Å; F284-A329 HydrophobicContact CZ-CB 4.24Å; F284-F330 HydrophobicContact CE1-CB 4.35Å; F284-F330 HydrophobicContact CE2-CB 4.16Å; F284-F330 HydrophobicContact CE2-CD2 4.4Å; F284-F330 HydrophobicContact CZ-CB 3.65Å; F284-F330 HydrophobicContact CZ-CD2 4.38Å; F284-I335 HydrophobicContact CB-CD1 4.17Å; F284-I335 HydrophobicContact CD2-CD1 4.42Å
285	F	95.5	Very high	93.4	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-68.7	-30.4	-179.1	-77.3	-73.5	0	0	0	112.9	I266 F274 M281 C288 G289 Y290 Y302 L305 T306 L326	I266-F285 HydrophobicContact CD1-CE2 3.97Å; I266-F285 HydrophobicContact CD1-CZ 4Å; F274-F285 HydrophobicContact CB-CE2 4.31Å; F274-F285 HydrophobicContact CB-CZ 4.34Å; F274-F285 HydrophobicContact CG-CE2 4.36Å; M281-F285 HydrophobicContact CG-CD2 3.7Å; M281-F285 HydrophobicContact CG-CE2 3.61Å; M281-F285 WeakPolarHBondContact O-CD2 3.41Å; M281-F285 PolarHBondContact O-N 3.5Å; M281-F285 HydrophobicContact SD-CE2 4.25Å; F285-C288 CarbonylContact O-C 3.46Å; F285-C288 PolarHBondContact O-N 3.42Å; F285-G289 PolarHBondContact O-N 3.38Å; F285-Y290 CarbonylContact O-C 3.6Å; F285-Y290 PolarHBondContact O-N 3.17Å; F285-Y302 HydrophobicContact CB-CD1 3.88Å; F285-Y302 HydrophobicContact CB-CE1 3.21Å; F285-Y302 AromaticContact CD1-CD1 3.89Å; F285-Y302 HydrophobicContact CD1-CD1 3.89Å; F285-Y302 HydrophobicContact CD1-CE1 4.1Å; F285-Y302 AromaticContact CD2-CD1 3.51Å; F285-Y302 HydrophobicContact CD2-CD1 3.51Å; F285-Y302 HydrophobicContact CD2-CD2 4.28Å; F285-Y302 AromaticContact CD2-CE1 3.63Å; F285-Y302 HydrophobicContact CD2-CE1 3.63Å; F285-Y302 HydrophobicContact CD2-CE2 4.34Å; F285-Y302 AromaticContact CD2-CG 3.87Å; F285-Y302 HydrophobicContact CD2-CG 3.87Å; F285-Y302 HydrophobicContact CE1-CD1 4.3Å; F285-Y302 AromaticContact CE2-CD1 3.97Å; F285-Y302 HydrophobicContact CE2-CD1 3.97Å; F285-Y302 HydrophobicContact CE2-CG 4.03Å; F285-Y302 AromaticContact CG-CD1 3.48Å; F285-Y302 HydrophobicContact CG-CD1 3.48Å; F285-Y302 VanDerWaalsContact CG-CD1 3.48Å; F285-Y302 AromaticContact CG-CE1 3.39Å; F285-Y302 HydrophobicContact CG-CE1 3.39Å; F285-Y302 HydrophobicContact CG-CG 4.3Å; F285-Y302 HydrophobicContact CZ-CD1 4.35Å; F285-L305 HydrophobicContact CD1-CD2 3.81Å; F285-L305 HydrophobicContact CE1-CD2 4.1Å; F285-T306 HydrophobicContact CE1-CG2 3.9Å; F285-T306 HydrophobicContact CZ-CG2 3.81Å; F285-L326 HydrophobicContact CD1-CD2 4.24Å; F285-L326 HydrophobicContact CE1-CD1 4.29Å; F285-L326 HydrophobicContact CE1-CD2 4.19Å
286	N	94.5	Very high	93.1	Very high	91 Å²	91	66.1 Å²	66.1	49%	0.487	37%	0.366	S	S	.	.	H	α-helix	trans	-64.4	-41.8	171.6	-165	16.8	0	0	0	111.2	L282 G283 F284 C288 G289	L282-N286 VanDerWaalsContact O-CB 3.25Å; L282-N286 WeakPolarHBondContact O-CB 3.17Å; L282-N286 PolarHBondContact O-N 3.18Å; L282-N286 VanDerWaalsContact O-N 3.11Å; G283-N286 PolarHBondContact O-N 3.37Å; F284-N286 VanDerWaalsContact C-N 3.3Å; F284-N286 PolarHBondContact O-N 3.47Å; N286-C288 VanDerWaalsContact C-N 3.27Å; N286-C288 PolarHBondContact O-N 3.37Å; N286-G289 WeakPolarHBondContact O-CA 3.4Å; N286-G289 PolarHBondContact O-N 3.24Å
287	N	93.9	Very high	92.9	Very high	144 Å²	144	67.3 Å²	67.3	77%	0.77	37%	0.373	S	S	*	.	H	α-helix	trans	-64.3	-31.2	174.1	-67.9	-16.4	0	0	0	112.7	G283 F284 G289	G283-N287 PolarHBondContact O-N 2.97Å; G283-N287 PolarHBondContact O-ND2 2.95Å; F284-N287 WeakPolarHBondContact O-CB 3.12Å; F284-N287 PolarHBondContact O-N 2.75Å; F284-N287 VanDerWaalsContact O-N 3.15Å; N287-G289 PolarHBondContact O-N 2.98Å
288	C	93.1	Very high	92.7	Very high	38 Å²	38	66.3 Å²	66.3	26%	0.257	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-1.2	171	-63.8	0	0	0	0	113.9	F284 F285 N286 Y290 L326	F284-C288 PolarHBondContact O-N 2.65Å; F284-C288 PolarHBondContact O-SG 3.31Å; F284-C288 VanDerWaalsContact O-SG 3.38Å; F285-C288 CarbonylContact O-C 3.46Å; F285-C288 PolarHBondContact O-N 3.42Å; N286-C288 VanDerWaalsContact C-N 3.27Å; N286-C288 PolarHBondContact O-N 3.37Å; C288-Y290 HydrophobicContact CB-CD2 4.34Å; C288-Y290 WeakPolarHBondContact O-CD2 3.47Å; C288-L326 HydrophobicContact CB-CD2 3.79Å
289	G	93.6	Very high	92.5	Very high	54 Å²	54	65.7 Å²	65.7	56%	0.557	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	13.5	178.3	0	0	0	0	0	115.2	F285 N286 N287 P291	F285-G289 PolarHBondContact O-N 3.38Å; N286-G289 WeakPolarHBondContact O-CA 3.4Å; N286-G289 PolarHBondContact O-N 3.24Å; N287-G289 PolarHBondContact O-N 2.98Å; G289-P291 VanDerWaalsContact C-CD 3.47Å; G289-P291 WeakPolarHBondContact O-CD 3.27Å
290	Y	94.1	Very high	92.3	Very high	84 Å²	84	60.9 Å²	60.9	33%	0.329	34%	0.342	S	S	.	.			trans	-122.5	72	-178.9	-60.1	-71	0	0	0	112	F285 C288 L305 L326	F285-Y290 CarbonylContact O-C 3.6Å; F285-Y290 PolarHBondContact O-N 3.17Å; C288-Y290 HydrophobicContact CB-CD2 4.34Å; C288-Y290 WeakPolarHBondContact O-CD2 3.47Å; Y290-L305 HydrophobicContact CD1-CD1 3.79Å; Y290-L305 HydrophobicContact CD1-CD2 4.44Å; Y290-L305 HydrophobicContact CD2-CD1 4.26Å; Y290-L305 HydrophobicContact CD2-CD2 3.96Å; Y290-L305 HydrophobicContact CE1-CD1 4.06Å; Y290-L305 HydrophobicContact CE2-CD1 4.48Å; Y290-L305 HydrophobicContact CG-CD1 3.9Å; Y290-L305 HydrophobicContact CG-CD2 3.74Å; Y290-L305 HydrophobicContact CG-CG 4.46Å; Y290-L326 HydrophobicContact CD2-CD2 4.17Å; Y290-L326 HydrophobicContact CE2-CD2 4.27Å
291	P	94.4	Very high	92.2	Very high	73 Å²	73	60.8 Å²	60.8	47%	0.474	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-66	141.2	174.2	26.6	-32.7	0	0	0	111.6	G289	G289-P291 VanDerWaalsContact C-CD 3.47Å; G289-P291 WeakPolarHBondContact O-CD 3.27Å
292	C	91.4	Very high	92.1	Very high	29 Å²	29	60.9 Å²	60.9	20%	0.196	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-77.2	131.2	173	-174.8	0	0	0	0	110.2	L282 F301 Y302	L282-C292 HydrophobicContact CD2-CB 4.4Å; C292-F301 HydrophobicContact CB-CD1 3.94Å; C292-F301 HydrophobicContact CB-CE1 4.28Å; C292-Y302 HydrophobicContact CB-CE2 4.18Å; C292-Y302 WeakPolarHBondContact CB-OH 3.42Å
293	P	92.8	Very high	91.9	Very high	66 Å²	66	58.5 Å²	58.5	43%	0.429	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-63.3	149.6	171.5	-17	29	0	0	0	112.3	H295 S296 F301	P293-H295 VanDerWaalsContact C-N 3.29Å; P293-H295 PolarHBondContact O-N 3.38Å; P293-S296 PolarHBondContact O-N 3.45Å; P293-F301 HydrophobicContact CG-CE2 4.45Å
294	E	84.9	Confident	91.7	Very high	186 Å²	186	62 Å²	62	87%	0.869	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-27.7	-174.8	-71.1	-159.1	162.1	0	0	114.9
295	H	87.3	Confident	91.5	Very high	188 Å²	188	62 Å²	62	87%	0.87	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	19.4	-179.1	-58.7	-38.9	0	0	0	113.1	P293	P293-H295 VanDerWaalsContact C-N 3.29Å; P293-H295 PolarHBondContact O-N 3.38Å
296	S	89.7	Confident	91.3	Very high	49 Å²	49	62.1 Å²	62.1	34%	0.343	34%	0.341	S	S	.	.	S	Bend	trans	-107.6	143	176.4	-62.7	0	0	0	0	110.2	P293 P298	P293-S296 PolarHBondContact O-N 3.45Å; S296-P298 VanDerWaalsContact O-CD 3.24Å; S296-P298 WeakPolarHBondContact O-CD 3.24Å
297	N	90.3	Very high	91	Very high	27 Å²	27	59.2 Å²	59.2	14%	0.144	33%	0.328	C	S	.	.			trans	-67.3	117.4	169.9	178.3	4	0	0	0	108.1	P253 S255 F299 D300 F301	P253-N297 PolarHBondContact O-ND2 2.89Å; S255-N297 VanDerWaalsContact CA-OD1 3.26Å; S255-N297 WeakPolarHBondContact CA-OD1 3.28Å; S255-N297 WeakPolarHBondContact CB-OD1 3.15Å; S255-N297 PolarHBondContact N-ND2 2.86Å; S255-N297 PolarHBondContact N-OD1 3.39Å; N297-F299 PolarHBondContact O-N 2.99Å; N297-F299 PolarHBondContact OD1-N 3.04Å; N297-F299 VanDerWaalsContact OD1-N 3.15Å; N297-D300 HydrophobicContact CB-CB 4.09Å; N297-D300 WeakPolarHBondContact CB-OD2 3.31Å; N297-D300 PolarHBondContact ND2-OD1 3.4Å; N297-D300 PolarHBondContact ND2-OD2 2.87Å; N297-D300 PolarHBondContact O-N 3.25Å; N297-D300 VanDerWaalsContact O-N 3.16Å; N297-F301 WeakPolarHBondContact O-CB 3.49Å; N297-F301 PolarHBondContact O-N 3.29Å
298	P	91.9	Very high	90.7	Very high	22 Å²	22	53 Å²	53	14%	0.143	30%	0.295	C	S	.	.	H	α-helix	trans	-57.3	-37.2	-178.7	-24.6	34.4	0	0	0	112.1	F258 L282 S296 Y302	F258-P298 HydrophobicContact CD1-CG 4.48Å; F258-P298 HydrophobicContact CD2-CB 4.17Å; F258-P298 HydrophobicContact CE1-CB 4.45Å; F258-P298 HydrophobicContact CE2-CB 3.94Å; F258-P298 HydrophobicContact CZ-CB 4.08Å; L282-P298 HydrophobicContact CD2-CB 4.44Å; S296-P298 VanDerWaalsContact O-CD 3.24Å; S296-P298 WeakPolarHBondContact O-CD 3.24Å; P298-Y302 HydrophobicContact CB-CD2 4.28Å; P298-Y302 HydrophobicContact CB-CE2 4.16Å; P298-Y302 WeakPolarHBondContact O-CB 3.33Å; P298-Y302 WeakPolarHBondContact O-CD2 3.46Å; P298-Y302 PolarHBondContact O-N 3.43Å
299	F	88.6	Confident	90.3	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.009	30%	0.296	C	S	.	.	H	α-helix	trans	-62	-48.8	178.1	-71.7	-59.2	0	0	0	112.5	L86 P253 R254 L257 F258 F261 I264 N297 M303	L86-F299 HydrophobicContact CD1-CD1 3.35Å; L86-F299 HydrophobicContact CD1-CE1 3.61Å; L86-F299 HydrophobicContact CD1-CG 4.45Å; P253-F299 HydrophobicContact CB-CD2 3.91Å; P253-F299 HydrophobicContact CB-CE2 3.85Å; P253-F299 HydrophobicContact CB-CG 4.35Å; P253-F299 HydrophobicContact CB-CZ 4.31Å; P253-F299 HydrophobicContact CG-CB 3.67Å; P253-F299 HydrophobicContact CG-CD1 3.71Å; P253-F299 HydrophobicContact CG-CD2 3.42Å; P253-F299 VanDerWaalsContact CG-CD2 3.42Å; P253-F299 HydrophobicContact CG-CE1 3.99Å; P253-F299 HydrophobicContact CG-CE2 3.69Å; P253-F299 HydrophobicContact CG-CG 3.37Å; P253-F299 HydrophobicContact CG-CZ 3.95Å; R254-F299 WeakPolarHBondContact O-CD2 3.49Å; R254-F299 WeakPolarHBondContact O-CE2 3.41Å; L257-F299 HydrophobicContact CB-CE2 4.34Å; F258-F299 VanDerWaalsContact CA-CZ 3.45Å; F258-F299 HydrophobicContact CB-CD2 4.12Å; F258-F299 HydrophobicContact CB-CE2 3.61Å; F258-F299 HydrophobicContact CB-CZ 4.06Å; F258-F299 AromaticContact CD2-CD1 3.81Å; F258-F299 HydrophobicContact CD2-CD1 3.81Å; F258-F299 AromaticContact CD2-CD2 3.87Å; F258-F299 HydrophobicContact CD2-CD2 3.87Å; F258-F299 AromaticContact CD2-CE1 3.58Å; F258-F299 HydrophobicContact CD2-CE1 3.58Å; F258-F299 AromaticContact CD2-CE2 3.68Å; F258-F299 HydrophobicContact CD2-CE2 3.68Å; F258-F299 AromaticContact CD2-CG 3.98Å; F258-F299 HydrophobicContact CD2-CG 3.98Å; F258-F299 AromaticContact CD2-CZ 3.55Å; F258-F299 HydrophobicContact CD2-CZ 3.55Å; F258-F299 HydrophobicContact CE2-CD1 4.2Å; F258-F299 HydrophobicContact CE2-CE1 4.09Å; F258-F299 HydrophobicContact CE2-CZ 4.45Å; F258-F299 HydrophobicContact CG-CD2 4.49Å; F258-F299 HydrophobicContact CG-CE2 4.16Å; F258-F299 HydrophobicContact CG-CZ 4.28Å; F261-F299 AromaticContact CD2-CZ 3.97Å; F261-F299 HydrophobicContact CD2-CZ 3.97Å; F261-F299 HydrophobicContact CE2-CZ 4.22Å; I264-F299 HydrophobicContact CD1-CE1 3.63Å; I264-F299 HydrophobicContact CD1-CZ 4.14Å; I264-F299 HydrophobicContact CG1-CE1 4.22Å; I264-F299 HydrophobicContact CG2-CE1 4.38Å; N297-F299 PolarHBondContact O-N 2.99Å; N297-F299 PolarHBondContact OD1-N 3.04Å; N297-F299 VanDerWaalsContact OD1-N 3.15Å; F299-M303 WeakPolarHBondContact O-CB 3.35Å; F299-M303 PolarHBondContact O-N 2.98Å
300	D	89.2	Confident	89.9	Confident	58 Å²	58	55.3 Å²	55.3	31%	0.31	30%	0.295	S	S	.	.	H	α-helix	trans	-67.2	-44.3	-178.6	-62.1	-24	0	0	0	109.9	N297 Y302 M303 D304	N297-D300 HydrophobicContact CB-CB 4.09Å; N297-D300 WeakPolarHBondContact CB-OD2 3.31Å; N297-D300 PolarHBondContact ND2-OD1 3.4Å; N297-D300 PolarHBondContact ND2-OD2 2.87Å; N297-D300 PolarHBondContact O-N 3.25Å; N297-D300 VanDerWaalsContact O-N 3.16Å; D300-Y302 PolarHBondContact O-N 3Å; D300-M303 PolarHBondContact O-N 3.46Å; D300-D304 WeakPolarHBondContact O-CB 3.32Å; D300-D304 PolarHBondContact O-N 3.45Å
301	F	92.9	Very high	89.6	Confident	57 Å²	57	58.6 Å²	58.6	25%	0.25	31%	0.314	C	S	.	.	H	α-helix	trans	-59.1	-50.4	179.9	-179.6	-99.5	0	0	0	112.5	C292 P293 N297 M303 D304 L305	C292-F301 HydrophobicContact CB-CD1 3.94Å; C292-F301 HydrophobicContact CB-CE1 4.28Å; P293-F301 HydrophobicContact CG-CE2 4.45Å; N297-F301 WeakPolarHBondContact O-CB 3.49Å; N297-F301 PolarHBondContact O-N 3.29Å; F301-M303 VanDerWaalsContact C-N 3.33Å; F301-M303 PolarHBondContact O-N 3.19Å; F301-D304 PolarHBondContact O-N 3.39Å; F301-L305 WeakPolarHBondContact O-CB 3.48Å; F301-L305 PolarHBondContact O-N 3.06Å
302	Y	93	Very high	89.4	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-72.5	-28.2	179.7	-65.9	-53.4	0	0	0	112.5	M281 L282 F285 C292 P298 D300 L305 T306	M281-Y302 HydrophobicContact CE-CD2 3.35Å; M281-Y302 HydrophobicContact CE-CE2 3.72Å; M281-Y302 HydrophobicContact CE-CG 4.34Å; M281-Y302 HydrophobicContact SD-CD2 4.25Å; L282-Y302 HydrophobicContact CD2-CE2 3.84Å; F285-Y302 HydrophobicContact CB-CD1 3.88Å; F285-Y302 HydrophobicContact CB-CE1 3.21Å; F285-Y302 AromaticContact CD1-CD1 3.89Å; F285-Y302 HydrophobicContact CD1-CD1 3.89Å; F285-Y302 HydrophobicContact CD1-CE1 4.1Å; F285-Y302 AromaticContact CD2-CD1 3.51Å; F285-Y302 HydrophobicContact CD2-CD1 3.51Å; F285-Y302 HydrophobicContact CD2-CD2 4.28Å; F285-Y302 AromaticContact CD2-CE1 3.63Å; F285-Y302 HydrophobicContact CD2-CE1 3.63Å; F285-Y302 HydrophobicContact CD2-CE2 4.34Å; F285-Y302 AromaticContact CD2-CG 3.87Å; F285-Y302 HydrophobicContact CD2-CG 3.87Å; F285-Y302 HydrophobicContact CE1-CD1 4.3Å; F285-Y302 AromaticContact CE2-CD1 3.97Å; F285-Y302 HydrophobicContact CE2-CD1 3.97Å; F285-Y302 HydrophobicContact CE2-CG 4.03Å; F285-Y302 AromaticContact CG-CD1 3.48Å; F285-Y302 HydrophobicContact CG-CD1 3.48Å; F285-Y302 VanDerWaalsContact CG-CD1 3.48Å; F285-Y302 AromaticContact CG-CE1 3.39Å; F285-Y302 HydrophobicContact CG-CE1 3.39Å; F285-Y302 HydrophobicContact CG-CG 4.3Å; F285-Y302 HydrophobicContact CZ-CD1 4.35Å; C292-Y302 HydrophobicContact CB-CE2 4.18Å; C292-Y302 WeakPolarHBondContact CB-OH 3.42Å; P298-Y302 HydrophobicContact CB-CD2 4.28Å; P298-Y302 HydrophobicContact CB-CE2 4.16Å; P298-Y302 WeakPolarHBondContact O-CB 3.33Å; P298-Y302 WeakPolarHBondContact O-CD2 3.46Å; P298-Y302 PolarHBondContact O-N 3.43Å; D300-Y302 PolarHBondContact O-N 3Å; Y302-L305 HydrophobicContact CD1-CD2 4.18Å; Y302-T306 VanDerWaalsContact O-CB 3.31Å; Y302-T306 WeakPolarHBondContact O-CB 3.33Å; Y302-T306 VanDerWaalsContact O-CG2 3.24Å; Y302-T306 WeakPolarHBondContact O-CG2 3.33Å; Y302-T306 PolarHBondContact O-N 2.82Å; Y302-T306 PolarHBondContact O-OG1 3.32Å
303	M	89.2	Confident	89.3	Confident	13 Å²	13	65.5 Å²	65.5	6%	0.064	33%	0.333	C	S	.	.	H	α-helix	trans	-67.4	-42.6	172.8	-165	-179.5	-38.9	0	0	111.7	L86 H251 Q252 F299 D300 F301 T306 S307	L86-M303 HydrophobicContact CD2-CE 4.35Å; H251-M303 VanDerWaalsContact O-CE 3.27Å; H251-M303 WeakPolarHBondContact O-CE 3.28Å; Q252-M303 HydrophobicContact CG-CE 4.16Å; Q252-M303 HydrophobicContact CG-SD 4.1Å; F299-M303 WeakPolarHBondContact O-CB 3.35Å; F299-M303 PolarHBondContact O-N 2.98Å; D300-M303 PolarHBondContact O-N 3.46Å; F301-M303 VanDerWaalsContact C-N 3.33Å; F301-M303 PolarHBondContact O-N 3.19Å; M303-T306 PolarHBondContact O-N 3.31Å; M303-T306 PolarHBondContact O-OG1 3.47Å; M303-S307 VanDerWaalsContact O-CB 3.31Å; M303-S307 WeakPolarHBondContact O-CB 3.39Å; M303-S307 PolarHBondContact O-N 3.07Å
304	D	89.2	Confident	89.3	Confident	106 Å²	106	70 Å²	70	57%	0.567	35%	0.348	S	S	*	.	H	α-helix	trans	-63.2	-44.2	175.1	-72.6	-15.4	0	0	0	110.9	D300 F301 T306 S307 R322	D300-D304 WeakPolarHBondContact O-CB 3.32Å; D300-D304 PolarHBondContact O-N 3.45Å; F301-D304 PolarHBondContact O-N 3.39Å; D304-T306 VanDerWaalsContact C-N 3.33Å; D304-T306 PolarHBondContact O-N 2.98Å; D304-S307 PolarHBondContact O-N 3.37Å; D304-S307 PolarHBondContact O-OG 2.8Å; D304-R322 PolarHBondContact O-NH2 2.63Å
305	L	91.8	Very high	89.5	Confident	13 Å²	13	67.1 Å²	67.1	7%	0.068	33%	0.329	C	S	.	.	H	α-helix	trans	-61.1	-41.3	177.5	-175.7	69.1	0	0	0	112.4	F285 Y290 F301 Y302 R322 L326	F285-L305 HydrophobicContact CD1-CD2 3.81Å; F285-L305 HydrophobicContact CE1-CD2 4.1Å; Y290-L305 HydrophobicContact CD1-CD1 3.79Å; Y290-L305 HydrophobicContact CD1-CD2 4.44Å; Y290-L305 HydrophobicContact CD2-CD1 4.26Å; Y290-L305 HydrophobicContact CD2-CD2 3.96Å; Y290-L305 HydrophobicContact CE1-CD1 4.06Å; Y290-L305 HydrophobicContact CE2-CD1 4.48Å; Y290-L305 HydrophobicContact CG-CD1 3.9Å; Y290-L305 HydrophobicContact CG-CD2 3.74Å; Y290-L305 HydrophobicContact CG-CG 4.46Å; F301-L305 WeakPolarHBondContact O-CB 3.48Å; F301-L305 PolarHBondContact O-N 3.06Å; Y302-L305 HydrophobicContact CD1-CD2 4.18Å; L305-R322 PolarHBondContact O-NE 2.92Å; L305-R322 PolarHBondContact O-NH2 2.82Å; L305-L326 HydrophobicContact CD2-CD1 4.36Å; L305-L326 HydrophobicContact CG-CD1 4.19Å
306	T	91.1	Very high	89.7	Confident	2 Å²	2	62 Å²	62	1%	0.012	31%	0.306	C	S	.	.	H	α-helix	trans	-87.8	-2	-177.4	57.3	0	0	0	0	113.5	I266 T268 V273 F285 Y302 M303 D304 V323 L326	I266-T306 HydrophobicContact CD1-CG2 4.49Å; I266-T306 HydrophobicContact CG2-CG2 4.07Å; I266-T306 WeakPolarHBondContact CG2-OG1 3.07Å; T268-T306 WeakPolarHBondContact CB-O 3.38Å; T268-T306 WeakPolarHBondContact CG2-O 3.01Å; T268-T306 PolarHBondContact OG1-O 2.77Å; V273-T306 HydrophobicContact CB-CG2 4.43Å; V273-T306 HydrophobicContact CG1-CG2 3.75Å; F285-T306 HydrophobicContact CE1-CG2 3.9Å; F285-T306 HydrophobicContact CZ-CG2 3.81Å; Y302-T306 VanDerWaalsContact O-CB 3.31Å; Y302-T306 WeakPolarHBondContact O-CB 3.33Å; Y302-T306 VanDerWaalsContact O-CG2 3.24Å; Y302-T306 WeakPolarHBondContact O-CG2 3.33Å; Y302-T306 PolarHBondContact O-N 2.82Å; Y302-T306 PolarHBondContact O-OG1 3.32Å; M303-T306 PolarHBondContact O-N 3.31Å; M303-T306 PolarHBondContact O-OG1 3.47Å; D304-T306 VanDerWaalsContact C-N 3.33Å; D304-T306 PolarHBondContact O-N 2.98Å; T306-V323 VanDerWaalsContact O-CG2 3.29Å; T306-V323 WeakPolarHBondContact O-CG2 3.5Å; T306-L326 HydrophobicContact CG2-CD1 4.31Å
307	S	88.6	Confident	89.8	Confident	31 Å²	31	65 Å²	65	22%	0.217	32%	0.317	C	S	.	.	S	Bend	trans	-86.8	152.9	174.9	73.7	0	0	0	0	112.6	M303 D304 R322	M303-S307 VanDerWaalsContact O-CB 3.31Å; M303-S307 WeakPolarHBondContact O-CB 3.39Å; M303-S307 PolarHBondContact O-N 3.07Å; D304-S307 PolarHBondContact O-N 3.37Å; D304-S307 PolarHBondContact O-OG 2.8Å; S307-R322 PolarHBondContact O-NH2 3.43Å
308	V	87.4	Confident	89.9	Confident	14 Å²	14	70.2 Å²	70.2	9%	0.085	34%	0.34	C	S	.	.			trans	-101.6	126	171.8	-174.9	0	0	0	0	108.1	T268 Y269 E316 T319 Y320 V323	T268-V308 HydrophobicContact CG2-CG2 4.31Å; Y269-V308 HydrophobicContact CD2-CB 4.3Å; Y269-V308 HydrophobicContact CD2-CG2 3.8Å; Y269-V308 HydrophobicContact CE2-CB 3.49Å; Y269-V308 VanDerWaalsContact CE2-CB 3.49Å; Y269-V308 HydrophobicContact CE2-CG1 4.46Å; Y269-V308 HydrophobicContact CE2-CG2 3.51Å; V308-E316 HydrophobicContact CG1-CG 3.99Å; V308-T319 WeakPolarHBondContact CG1-OG1 3.16Å; V308-Y320 HydrophobicContact CG2-CD2 4.21Å; V308-V323 HydrophobicContact CG2-CG2 4.04Å
309	D	84.5	Confident	89.9	Confident	49 Å²	49	69.9 Å²	69.9	26%	0.262	34%	0.338	S	S	.	.			trans	-89.5	112.7	-179.5	-178.6	3.7	0	0	0	109.9	Q311 R315 E316 T319	D309-Q311 VanDerWaalsContact C-N 3.34Å; D309-Q311 WeakPolarHBondContact OD1-CB 3.09Å; D309-Q311 PolarHBondContact OD1-N 3.26Å; D309-R315 HydrophobicContact CB-CB 4.47Å; D309-R315 VanDerWaalsContact OD2-CD 3.3Å; D309-R315 WeakPolarHBondContact OD2-CD 3.5Å; D309-R315 IonicContact OD2-NH1 3.61Å; D309-R315 PolarHBondContact OD2-NH1 3.36Å; D309-E316 WeakPolarHBondContact O-CA 3.47Å; D309-E316 WeakPolarHBondContact O-CB 3.41Å; D309-E316 PolarHBondContact O-N 3.14Å; D309-E316 VanDerWaalsContact O-N 3.15Å; D309-T319 HydrophobicContact CB-CG2 4.22Å; D309-T319 PolarHBondContact N-OG1 2.61Å
310	T	86.2	Confident	90	Very high	90 Å²	90	74.2 Å²	74.2	55%	0.552	36%	0.355	S	S	*	.			trans	-91.2	10.1	178.9	62.3	0	0	0	0	113.4	S312 E316	T310-S312 VanDerWaalsContact C-N 3.35Å; T310-S312 PolarHBondContact O-N 2.95Å; T310-E316 HydrophobicContact CG2-CG 4.44Å
311	Q	88.1	Confident	90.2	Very high	154 Å²	154	78 Å²	78	72%	0.72	37%	0.369	S	S	*	.	S	Bend	trans	-67.1	-34.8	-177.1	-170.1	174.7	30.2	0	0	112.7	D309	D309-Q311 VanDerWaalsContact C-N 3.34Å; D309-Q311 WeakPolarHBondContact OD1-CB 3.09Å; D309-Q311 PolarHBondContact OD1-N 3.26Å
312	S	90.1	Very high	90.2	Very high	43 Å²	43	78.4 Å²	78.4	30%	0.301	37%	0.368	S	S	.	.	S	Bend	trans	-137.2	148.3	171.1	78.2	0	0	0	0	110.5	T310 E314 R315 E316	T310-S312 VanDerWaalsContact C-N 3.35Å; T310-S312 PolarHBondContact O-N 2.95Å; S312-E314 PolarHBondContact O-N 2.91Å; S312-R315 PolarHBondContact O-N 3.29Å; S312-R315 WeakPolarHBondContact OG-CB 3.4Å; S312-R315 WeakPolarHBondContact OG-CG 3.45Å; S312-R315 PolarHBondContact OG-N 3.2Å; S312-E316 WeakPolarHBondContact O-CB 3.44Å; S312-E316 PolarHBondContact O-N 2.6Å
313	R	89.5	Confident	90.2	Very high	204 Å²	204	78.5 Å²	78.5	77%	0.77	37%	0.369	S	S	*	.	H	α-helix	trans	-61.6	-33.2	-178.3	-166.6	174.8	-176.7	179.7	0.2	112.6	I317	R313-I317 HydrophobicContact CG-CD1 4.28Å; R313-I317 WeakPolarHBondContact O-CD1 3.4Å; R313-I317 VanDerWaalsContact O-CG1 3.25Å; R313-I317 WeakPolarHBondContact O-CG1 3.33Å; R313-I317 PolarHBondContact O-N 2.95Å; R313-I317 VanDerWaalsContact O-N 3.15Å
314	E	92.2	Very high	90.4	Very high	161 Å²	161	82.7 Å²	82.7	75%	0.752	39%	0.389	S	S	*	.	H	α-helix	trans	-67.7	-47.6	176.9	-70.1	164.8	-178.6	0	0	111.3	S312 E316 I317 E318	S312-E314 PolarHBondContact O-N 2.91Å; E314-E316 VanDerWaalsContact C-N 3.32Å; E314-E316 PolarHBondContact O-N 2.85Å; E314-I317 PolarHBondContact O-N 3.3Å; E314-E318 PolarHBondContact O-N 3.03Å
315	R	89.4	Confident	90.6	Very high	125 Å²	125	82.7 Å²	82.7	47%	0.472	39%	0.387	S	S	.	.	H	α-helix	trans	-65.1	-36.4	175.4	-74.8	-172.5	-175.9	-179.4	2.8	112.3	D309 S312 E318 T319	D309-R315 HydrophobicContact CB-CB 4.47Å; D309-R315 VanDerWaalsContact OD2-CD 3.3Å; D309-R315 WeakPolarHBondContact OD2-CD 3.5Å; D309-R315 IonicContact OD2-NH1 3.61Å; D309-R315 PolarHBondContact OD2-NH1 3.36Å; S312-R315 PolarHBondContact O-N 3.29Å; S312-R315 WeakPolarHBondContact OG-CB 3.4Å; S312-R315 WeakPolarHBondContact OG-CG 3.45Å; S312-R315 PolarHBondContact OG-N 3.2Å; R315-E318 PolarHBondContact O-N 3.47Å; R315-T319 VanDerWaalsContact O-CB 3.32Å; R315-T319 WeakPolarHBondContact O-CB 3.3Å; R315-T319 VanDerWaalsContact O-CG2 3.31Å; R315-T319 WeakPolarHBondContact O-CG2 3.2Å; R315-T319 PolarHBondContact O-N 3.31Å; R315-T319 PolarHBondContact O-OG1 3.46Å
316	E	90.9	Very high	90.7	Very high	81 Å²	81	82.3 Å²	82.3	38%	0.379	38%	0.384	S	S	.	.	H	α-helix	trans	-59.6	-48.7	176.2	-173.7	-176.9	-177.4	0	0	110.3	V308 D309 T310 S312 E314 E318 T319 Y320	V308-E316 HydrophobicContact CG1-CG 3.99Å; D309-E316 WeakPolarHBondContact O-CA 3.47Å; D309-E316 WeakPolarHBondContact O-CB 3.41Å; D309-E316 PolarHBondContact O-N 3.14Å; D309-E316 VanDerWaalsContact O-N 3.15Å; T310-E316 HydrophobicContact CG2-CG 4.44Å; S312-E316 WeakPolarHBondContact O-CB 3.44Å; S312-E316 PolarHBondContact O-N 2.6Å; E314-E316 VanDerWaalsContact C-N 3.32Å; E314-E316 PolarHBondContact O-N 2.85Å; E316-E318 PolarHBondContact O-N 2.88Å; E316-T319 PolarHBondContact O-OG1 2.93Å; E316-Y320 WeakPolarHBondContact O-CB 3.46Å; E316-Y320 PolarHBondContact O-N 3.04Å
317	I	92.2	Very high	90.8	Very high	111 Å²	111	82.9 Å²	82.9	57%	0.569	39%	0.387	S	S	*	.	H	α-helix	trans	-64.1	-43.3	178.9	-66.3	164.3	0	0	0	111.2	R313 E314 K321	R313-I317 HydrophobicContact CG-CD1 4.28Å; R313-I317 WeakPolarHBondContact O-CD1 3.4Å; R313-I317 VanDerWaalsContact O-CG1 3.25Å; R313-I317 WeakPolarHBondContact O-CG1 3.33Å; R313-I317 PolarHBondContact O-N 2.95Å; R313-I317 VanDerWaalsContact O-N 3.15Å; E314-I317 PolarHBondContact O-N 3.3Å; I317-K321 WeakPolarHBondContact O-CB 3.39Å; I317-K321 PolarHBondContact O-N 3.2Å
318	E	92.4	Very high	91.1	Very high	137 Å²	137	83.5 Å²	83.5	64%	0.64	39%	0.392	S	S	*	.	H	α-helix	trans	-64.1	-51.7	179.2	-175	-175.3	179.3	0	0	112	E314 R315 E316 K321 R322	E314-E318 PolarHBondContact O-N 3.03Å; R315-E318 PolarHBondContact O-N 3.47Å; E316-E318 PolarHBondContact O-N 2.88Å; E318-K321 PolarHBondContact O-N 3.35Å; E318-R322 PolarHBondContact O-N 3.37Å
319	T	91.2	Very high	91.5	Very high	14 Å²	14	84.5 Å²	84.5	9%	0.086	40%	0.401	C	S	.	.	H	α-helix	trans	-68	-36.5	-178.7	55.3	0	0	0	0	111.8	V308 D309 R315 E316 K321 R322 V323	V308-T319 WeakPolarHBondContact CG1-OG1 3.16Å; D309-T319 HydrophobicContact CB-CG2 4.22Å; D309-T319 PolarHBondContact N-OG1 2.61Å; R315-T319 VanDerWaalsContact O-CB 3.32Å; R315-T319 WeakPolarHBondContact O-CB 3.3Å; R315-T319 VanDerWaalsContact O-CG2 3.31Å; R315-T319 WeakPolarHBondContact O-CG2 3.2Å; R315-T319 PolarHBondContact O-N 3.31Å; R315-T319 PolarHBondContact O-OG1 3.46Å; E316-T319 PolarHBondContact O-OG1 2.93Å; T319-K321 PolarHBondContact O-N 2.75Å; T319-R322 WeakPolarHBondContact O-CB 3.45Å; T319-R322 PolarHBondContact O-N 3.11Å; T319-V323 WeakPolarHBondContact O-CG2 3.49Å; T319-V323 PolarHBondContact O-N 3.47Å
320	Y	91.1	Very high	92	Very high	93 Å²	93	82.3 Å²	82.3	37%	0.365	39%	0.389	S	S	.	.	H	α-helix	trans	-61.2	-44.8	173	-171.7	-89.2	0	0	0	111.4	V308 E316 R322 V323 Q324	V308-Y320 HydrophobicContact CG2-CD2 4.21Å; E316-Y320 WeakPolarHBondContact O-CB 3.46Å; E316-Y320 PolarHBondContact O-N 3.04Å; Y320-R322 VanDerWaalsContact C-N 3.31Å; Y320-R322 PolarHBondContact O-N 2.91Å; Y320-V323 PolarHBondContact O-N 2.9Å; Y320-Q324 PolarHBondContact O-N 2.98Å
321	K	93.2	Very high	92.3	Very high	139 Å²	139	83.4 Å²	83.4	60%	0.604	38%	0.383	S	S	*	.	H	α-helix	trans	-61.4	-40	176.1	-171.4	178.9	180	-177	0	111.7	I317 E318 T319 Q324 M325	I317-K321 WeakPolarHBondContact O-CB 3.39Å; I317-K321 PolarHBondContact O-N 3.2Å; E318-K321 PolarHBondContact O-N 3.35Å; T319-K321 PolarHBondContact O-N 2.75Å; K321-Q324 PolarHBondContact O-N 2.72Å; K321-M325 WeakPolarHBondContact O-CG 3.14Å; K321-M325 PolarHBondContact O-N 2.95Å; K321-M325 VanDerWaalsContact O-N 3.08Å
322	R	93.5	Very high	92.6	Very high	64 Å²	64	83.4 Å²	83.4	24%	0.242	38%	0.383	C	S	.	.	H	α-helix	trans	-60.1	-49.6	174.7	-178.5	-179.7	68.9	-163.6	-0.7	111.7	D304 L305 S307 E318 T319 Y320 Q324 M325 L326	D304-R322 PolarHBondContact O-NH2 2.63Å; L305-R322 PolarHBondContact O-NE 2.92Å; L305-R322 PolarHBondContact O-NH2 2.82Å; S307-R322 PolarHBondContact O-NH2 3.43Å; E318-R322 PolarHBondContact O-N 3.37Å; T319-R322 WeakPolarHBondContact O-CB 3.45Å; T319-R322 PolarHBondContact O-N 3.11Å; Y320-R322 VanDerWaalsContact C-N 3.31Å; Y320-R322 PolarHBondContact O-N 2.91Å; R322-Q324 VanDerWaalsContact C-N 3.31Å; R322-Q324 PolarHBondContact O-N 2.72Å; R322-M325 PolarHBondContact O-N 3.3Å; R322-L326 HydrophobicContact CG-CD1 4.33Å; R322-L326 WeakPolarHBondContact O-CG 3.38Å; R322-L326 PolarHBondContact O-N 3.24Å
323	V	92.2	Very high	92.8	Very high	4 Å²	4	82.2 Å²	82.2	2%	0.024	38%	0.375	C	S	.	.	H	α-helix	trans	-60	-42.5	178.6	171	0	0	0	0	111.1	T268 V273 T306 V308 T319 Y320 M325 L326 E327	T268-V323 HydrophobicContact CG2-CG1 3.68Å; T268-V323 HydrophobicContact CG2-CG2 4.26Å; V273-V323 HydrophobicContact CG2-CG1 4.22Å; T306-V323 VanDerWaalsContact O-CG2 3.29Å; T306-V323 WeakPolarHBondContact O-CG2 3.5Å; V308-V323 HydrophobicContact CG2-CG2 4.04Å; T319-V323 WeakPolarHBondContact O-CG2 3.49Å; T319-V323 PolarHBondContact O-N 3.47Å; Y320-V323 PolarHBondContact O-N 2.9Å; V323-M325 VanDerWaalsContact C-N 3.31Å; V323-M325 PolarHBondContact O-N 3.37Å; V323-L326 PolarHBondContact O-N 3.36Å; V323-L326 VanDerWaalsContact O-N 3.13Å; V323-E327 WeakPolarHBondContact O-CB 3.41Å; V323-E327 PolarHBondContact O-N 3.16Å
324	Q	92.8	Very high	93	Very high	102 Å²	102	79.1 Å²	79.1	48%	0.477	37%	0.373	S	S	.	.	H	α-helix	trans	-63.7	-35.6	178.4	-166.2	174.4	14.4	0	0	112.6	Y320 K321 R322 S328	Y320-Q324 PolarHBondContact O-N 2.98Å; K321-Q324 PolarHBondContact O-N 2.72Å; R322-Q324 VanDerWaalsContact C-N 3.31Å; R322-Q324 PolarHBondContact O-N 2.72Å; Q324-S328 WeakPolarHBondContact O-CB 3.44Å; Q324-S328 PolarHBondContact O-N 3.19Å; Q324-S328 PolarHBondContact O-OG 2.81Å
325	M	94.4	Very high	93.1	Very high	106 Å²	106	73 Å²	73	52%	0.522	35%	0.345	S	S	.	.	H	α-helix	trans	-66.3	-40.6	172.2	-70	-167.1	-60.3	0	0	112.1	K321 R322 V323 S328 A329	K321-M325 WeakPolarHBondContact O-CG 3.14Å; K321-M325 PolarHBondContact O-N 2.95Å; K321-M325 VanDerWaalsContact O-N 3.08Å; R322-M325 PolarHBondContact O-N 3.3Å; V323-M325 VanDerWaalsContact C-N 3.31Å; V323-M325 PolarHBondContact O-N 3.37Å; M325-S328 WeakPolarHBondContact CA-OG 3.39Å; M325-S328 PolarHBondContact O-OG 2.92Å; M325-A329 VanDerWaalsContact O-CB 3.28Å; M325-A329 WeakPolarHBondContact O-CB 3.03Å; M325-A329 PolarHBondContact O-N 2.88Å
326	L	94.3	Very high	93.3	Very high	4 Å²	4	67.8 Å²	67.8	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-66.7	-42.2	177.3	-67.8	169	0	0	0	112	V273 F285 C288 Y290 L305 T306 R322 V323 A329 F330	V273-L326 HydrophobicContact CG1-CB 3.86Å; F285-L326 HydrophobicContact CD1-CD2 4.24Å; F285-L326 HydrophobicContact CE1-CD1 4.29Å; F285-L326 HydrophobicContact CE1-CD2 4.19Å; C288-L326 HydrophobicContact CB-CD2 3.79Å; Y290-L326 HydrophobicContact CD2-CD2 4.17Å; Y290-L326 HydrophobicContact CE2-CD2 4.27Å; L305-L326 HydrophobicContact CD2-CD1 4.36Å; L305-L326 HydrophobicContact CG-CD1 4.19Å; T306-L326 HydrophobicContact CG2-CD1 4.31Å; R322-L326 HydrophobicContact CG-CD1 4.33Å; R322-L326 WeakPolarHBondContact O-CG 3.38Å; R322-L326 PolarHBondContact O-N 3.24Å; V323-L326 PolarHBondContact O-N 3.36Å; V323-L326 VanDerWaalsContact O-N 3.13Å; L326-A329 PolarHBondContact O-N 3.05Å; L326-F330 PolarHBondContact O-N 3Å
327	E	93.5	Very high	93.4	Very high	14 Å²	14	69.2 Å²	69.2	7%	0.065	34%	0.335	C	S	.	.	H	α-helix	trans	-61.9	-47.4	177.1	178	-86.8	164.5	0	0	111.8	E271 V323 A329 F330 R331	E271-E327 HydrophobicContact CB-CG 4.36Å; V323-E327 WeakPolarHBondContact O-CB 3.41Å; V323-E327 PolarHBondContact O-N 3.16Å; E327-A329 PolarHBondContact O-N 2.82Å; E327-F330 PolarHBondContact O-N 2.7Å; E327-R331 PolarHBondContact O-N 2.98Å; E327-R331 WeakPolarHBondContact OE1-CD 3.26Å; E327-R331 IonicContact OE1-CZ 3.6Å; E327-R331 IonicContact OE1-NE 3.86Å; E327-R331 PolarHBondContact OE1-NE 3.2Å; E327-R331 IonicContact OE1-NH1 3.89Å; E327-R331 PolarHBondContact OE1-NH1 3.42Å; E327-R331 IonicContact OE1-NH2 3.43Å
328	S	94.4	Very high	93.6	Very high	45 Å²	45	69.2 Å²	69.2	32%	0.315	33%	0.33	S	S	.	.	H	α-helix	trans	-65.8	-38.2	176.9	53.4	0	0	0	0	112.5	Q324 M325 F330 R331 Q332	Q324-S328 WeakPolarHBondContact O-CB 3.44Å; Q324-S328 PolarHBondContact O-N 3.19Å; Q324-S328 PolarHBondContact O-OG 2.81Å; M325-S328 WeakPolarHBondContact CA-OG 3.39Å; M325-S328 PolarHBondContact O-OG 2.92Å; S328-F330 VanDerWaalsContact C-N 3.33Å; S328-F330 PolarHBondContact O-N 3.37Å; S328-R331 PolarHBondContact O-N 2.59Å; S328-Q332 WeakPolarHBondContact O-CG 3.29Å; S328-Q332 PolarHBondContact O-N 3.34Å; S328-Q332 VanDerWaalsContact O-N 3.12Å
329	A	95.2	Very high	93.6	Very high	34 Å²	34	63.1 Å²	63.1	28%	0.281	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-40.8	172.9	0	0	0	0	0	111.8	F284 M325 L326 E327 Q332 S333	F284-A329 HydrophobicContact CZ-CB 4.24Å; M325-A329 VanDerWaalsContact O-CB 3.28Å; M325-A329 WeakPolarHBondContact O-CB 3.03Å; M325-A329 PolarHBondContact O-N 2.88Å; L326-A329 PolarHBondContact O-N 3.05Å; E327-A329 PolarHBondContact O-N 2.82Å; A329-Q332 PolarHBondContact O-N 2.7Å; A329-S333 PolarHBondContact O-N 3.39Å; A329-S333 VanDerWaalsContact O-N 3.1Å
330	F	95	Very high	93.7	Very high	4 Å²	4	64.5 Å²	64.5	2%	0.018	31%	0.309	C	S	.	.	H	α-helix	trans	-66.5	-44.6	176.2	176.6	-110.6	0	0	0	111.7	L272 V273 F274 C275 F284 L326 E327 S328 Q332 S333 I335 C336 I339	L272-F330 HydrophobicContact CD2-CE1 3.93Å; L272-F330 HydrophobicContact CG-CE1 4.15Å; V273-F330 WeakPolarHBondContact O-CB 3.4Å; V273-F330 WeakPolarHBondContact O-CG 3.16Å; F274-F330 AromaticContact CD2-CD2 3.99Å; F274-F330 HydrophobicContact CD2-CD2 3.99Å; F274-F330 HydrophobicContact CD2-CE2 4.08Å; C275-F330 HydrophobicContact CB-CZ 3.95Å; C275-F330 VanDerWaalsContact N-CZ 3.28Å; F284-F330 HydrophobicContact CE1-CB 4.35Å; F284-F330 HydrophobicContact CE2-CB 4.16Å; F284-F330 HydrophobicContact CE2-CD2 4.4Å; F284-F330 HydrophobicContact CZ-CB 3.65Å; F284-F330 HydrophobicContact CZ-CD2 4.38Å; L326-F330 PolarHBondContact O-N 3Å; E327-F330 PolarHBondContact O-N 2.7Å; S328-F330 VanDerWaalsContact C-N 3.33Å; S328-F330 PolarHBondContact O-N 3.37Å; F330-Q332 PolarHBondContact O-N 3.25Å; F330-S333 WeakPolarHBondContact O-CB 3.49Å; F330-S333 PolarHBondContact O-N 3.17Å; F330-S333 PolarHBondContact O-OG 2.75Å; F330-I335 HydrophobicContact CE2-CB 4.47Å; F330-I335 HydrophobicContact CE2-CG2 4.28Å; F330-C336 HydrophobicContact CE1-CB 4.21Å; F330-C336 HydrophobicContact CE2-CB 4.31Å; F330-C336 HydrophobicContact CZ-CB 4.09Å; F330-C336 WeakPolarHBondContact O-CB 3.44Å; F330-I339 HydrophobicContact CZ-CD1 4.38Å
331	R	92.9	Very high	93.8	Very high	112 Å²	112	65.9 Å²	65.9	42%	0.423	32%	0.319	S	S	.	.	H	α-helix	trans	-58.6	-33.2	177.2	-81	-173.1	167.6	164.5	-5.8	113.4	E327 S328	E327-R331 PolarHBondContact O-N 2.98Å; E327-R331 WeakPolarHBondContact OE1-CD 3.26Å; E327-R331 IonicContact OE1-CZ 3.6Å; E327-R331 IonicContact OE1-NE 3.86Å; E327-R331 PolarHBondContact OE1-NE 3.2Å; E327-R331 IonicContact OE1-NH1 3.89Å; E327-R331 PolarHBondContact OE1-NH1 3.42Å; E327-R331 IonicContact OE1-NH2 3.43Å; S328-R331 PolarHBondContact O-N 2.59Å
332	Q	93.7	Very high	93.7	Very high	155 Å²	155	61.3 Å²	61.3	72%	0.724	30%	0.301	S	S	*	.	H	α-helix	trans	-86.8	-8.6	177.2	-66.6	174.7	13.6	0	0	113.5	S328 A329 F330	S328-Q332 WeakPolarHBondContact O-CG 3.29Å; S328-Q332 PolarHBondContact O-N 3.34Å; S328-Q332 VanDerWaalsContact O-N 3.12Å; A329-Q332 PolarHBondContact O-N 2.7Å; F330-Q332 PolarHBondContact O-N 3.25Å
333	S	94.1	Very high	93.5	Very high	18 Å²	18	58.2 Å²	58.2	13%	0.126	29%	0.289	C	S	.	.	S	Bend	trans	-74.6	150.1	-177.2	75	0	0	0	0	112.5	A329 F330 I335 C336 H337	A329-S333 PolarHBondContact O-N 3.39Å; A329-S333 VanDerWaalsContact O-N 3.1Å; F330-S333 WeakPolarHBondContact O-CB 3.49Å; F330-S333 PolarHBondContact O-N 3.17Å; F330-S333 PolarHBondContact O-OG 2.75Å; S333-I335 PolarHBondContact O-N 3.2Å; S333-I335 VanDerWaalsContact O-N 3.16Å; S333-C336 PolarHBondContact O-N 3.41Å; S333-C336 VanDerWaalsContact O-N 3.14Å; S333-C336 PolarHBondContact OG-N 3.42Å; S333-H337 PolarHBondContact O-N 3.29Å
334	D	94.3	Very high	93.4	Very high	138 Å²	138	63.4 Å²	63.4	74%	0.738	31%	0.313	S	S	*	.	H	α-helix	trans	-58.5	-28.2	173.9	-60.8	-35.3	0	0	0	112.3	H337 K338	D334-H337 PolarHBondContact O-N 2.97Å; D334-K338 VanDerWaalsContact O-CB 3.27Å; D334-K338 WeakPolarHBondContact O-CB 3.29Å; D334-K338 PolarHBondContact O-N 3Å
335	I	93.9	Very high	93.2	Very high	32 Å²	32	66.3 Å²	66.3	16%	0.164	32%	0.32	C	S	.	.	H	α-helix	trans	-63.7	-46.4	178.4	-54.3	170.5	0	0	0	110.1	F274 C275 E280 F284 F330 S333 K338 I339	F274-I335 HydrophobicContact CE2-CD1 4.06Å; C275-I335 WeakPolarHBondContact O-CG2 3.09Å; E280-I335 HydrophobicContact CB-CD1 4.27Å; F284-I335 HydrophobicContact CB-CD1 4.17Å; F284-I335 HydrophobicContact CD2-CD1 4.42Å; F330-I335 HydrophobicContact CE2-CB 4.47Å; F330-I335 HydrophobicContact CE2-CG2 4.28Å; S333-I335 PolarHBondContact O-N 3.2Å; S333-I335 VanDerWaalsContact O-N 3.16Å; I335-K338 PolarHBondContact O-N 3.08Å; I335-I339 HydrophobicContact CG2-CD1 4.45Å; I335-I339 WeakPolarHBondContact O-CG1 3.43Å; I335-I339 PolarHBondContact O-N 3.42Å
336	C	93.3	Very high	92.7	Very high	16 Å²	16	61.7 Å²	61.7	11%	0.108	30%	0.298	C	S	.	.	H	α-helix	trans	-64.6	-45	177.4	-177	0	0	0	0	111.2	F330 S333 K338 I339 L340	F330-C336 HydrophobicContact CE1-CB 4.21Å; F330-C336 HydrophobicContact CE2-CB 4.31Å; F330-C336 HydrophobicContact CZ-CB 4.09Å; F330-C336 WeakPolarHBondContact O-CB 3.44Å; S333-C336 PolarHBondContact O-N 3.41Å; S333-C336 VanDerWaalsContact O-N 3.14Å; S333-C336 PolarHBondContact OG-N 3.42Å; C336-K338 VanDerWaalsContact C-N 3.34Å; C336-K338 PolarHBondContact O-N 2.98Å; C336-I339 WeakPolarHBondContact O-CB 3.41Å; C336-I339 PolarHBondContact O-N 3.36Å; C336-I339 VanDerWaalsContact O-N 3.13Å; C336-L340 WeakPolarHBondContact O-CG 3.17Å; C336-L340 PolarHBondContact O-N 2.9Å
337	H	94.6	Very high	92.1	Very high	111 Å²	111	66 Å²	66	51%	0.514	31%	0.314	S	S	.	.	H	α-helix	trans	-59.7	-42.4	176	-82.4	-48.6	0	0	0	112.6	S333 D334 I339 L340 E341	S333-H337 PolarHBondContact O-N 3.29Å; D334-H337 PolarHBondContact O-N 2.97Å; H337-I339 VanDerWaalsContact C-N 3.32Å; H337-I339 PolarHBondContact O-N 3.41Å; H337-L340 PolarHBondContact O-N 3.2Å; H337-E341 WeakPolarHBondContact O-CB 3.23Å; H337-E341 PolarHBondContact O-N 2.69Å
338	K	94.5	Very high	91.3	Very high	111 Å²	111	72.6 Å²	72.6	48%	0.483	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-36.7	175.1	-176.1	-178.5	177.6	-172.8	0	112.5	E280 D334 I335 C336 N342	E280-K338 IonicContact OE1-NZ 3.91Å; D334-K338 VanDerWaalsContact O-CB 3.27Å; D334-K338 WeakPolarHBondContact O-CB 3.29Å; D334-K338 PolarHBondContact O-N 3Å; I335-K338 PolarHBondContact O-N 3.08Å; C336-K338 VanDerWaalsContact C-N 3.34Å; C336-K338 PolarHBondContact O-N 2.98Å; K338-N342 WeakPolarHBondContact O-CB 3.45Å; K338-N342 PolarHBondContact O-N 2.93Å; K338-N342 PolarHBondContact O-ND2 3.24Å
339	I	92.7	Very high	90.4	Very high	9 Å²	9	73.8 Å²	73.8	5%	0.046	35%	0.347	C	S	.	.	H	α-helix	trans	-64.8	-48	174.7	-71.1	167.8	0	0	0	110.4	C275 F330 I335 C336 H337 N342 I343	C275-I339 HydrophobicContact CB-CD1 3.88Å; C275-I339 WeakPolarHBondContact O-CD1 3.18Å; F330-I339 HydrophobicContact CZ-CD1 4.38Å; I335-I339 HydrophobicContact CG2-CD1 4.45Å; I335-I339 WeakPolarHBondContact O-CG1 3.43Å; I335-I339 PolarHBondContact O-N 3.42Å; C336-I339 WeakPolarHBondContact O-CB 3.41Å; C336-I339 PolarHBondContact O-N 3.36Å; C336-I339 VanDerWaalsContact O-N 3.13Å; H337-I339 VanDerWaalsContact C-N 3.32Å; H337-I339 PolarHBondContact O-N 3.41Å; I339-N342 PolarHBondContact O-N 2.86Å; I339-I343 HydrophobicContact CG2-CD1 4.03Å; I339-I343 WeakPolarHBondContact O-CG1 3.44Å; I339-I343 PolarHBondContact O-N 3.31Å; I339-I343 VanDerWaalsContact O-N 3.14Å
340	L	93.2	Very high	88.9	Confident	43 Å²	43	82.3 Å²	82.3	23%	0.225	38%	0.377	C	S	.	.	H	α-helix	trans	-62	-44	178.7	-67.5	172.3	0	0	0	111.6	L42 C336 H337 N342 I343 E344	L42-L340 HydrophobicContact CD1-CD2 3.59Å; C336-L340 WeakPolarHBondContact O-CG 3.17Å; C336-L340 PolarHBondContact O-N 2.9Å; H337-L340 PolarHBondContact O-N 3.2Å; L340-N342 VanDerWaalsContact C-N 3.32Å; L340-N342 PolarHBondContact O-N 2.99Å; L340-I343 PolarHBondContact O-N 3.49Å; L340-E344 PolarHBondContact O-N 2.91Å
341	E	93.4	Very high	87.4	Confident	122 Å²	122	88 Å²	88	57%	0.57	41%	0.412	S	S	*	.	H	α-helix	trans	-60.3	-41	176.4	-169.9	-173.4	175.2	0	0	111.7	H337 I343 E344 R345	H337-E341 WeakPolarHBondContact O-CB 3.23Å; H337-E341 PolarHBondContact O-N 2.69Å; E341-I343 VanDerWaalsContact C-N 3.34Å; E341-I343 PolarHBondContact O-N 3.49Å; E341-E344 PolarHBondContact O-N 2.79Å; E341-R345 WeakPolarHBondContact O-CB 3.42Å; E341-R345 PolarHBondContact O-N 3.4Å
342	N	92.1	Very high	86.1	Confident	43 Å²	43	84.4 Å²	84.4	23%	0.23	40%	0.402	C	S	.	.	H	α-helix	trans	-64.7	-36.9	176.9	-74.5	-34.4	0	0	0	112.7	Y76 K338 I339 L340 T346	Y76-N342 HydrophobicContact CD1-CB 3.78Å; Y76-N342 HydrophobicContact CD2-CB 4.33Å; Y76-N342 HydrophobicContact CE1-CB 3.87Å; Y76-N342 HydrophobicContact CE2-CB 4.4Å; Y76-N342 HydrophobicContact CG-CB 4.03Å; K338-N342 WeakPolarHBondContact O-CB 3.45Å; K338-N342 PolarHBondContact O-N 2.93Å; K338-N342 PolarHBondContact O-ND2 3.24Å; I339-N342 PolarHBondContact O-N 2.86Å; L340-N342 VanDerWaalsContact C-N 3.32Å; L340-N342 PolarHBondContact O-N 2.99Å; N342-T346 PolarHBondContact O-N 2.97Å; N342-T346 PolarHBondContact O-OG1 3.38Å
343	I	89.8	Confident	84.9	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-66.4	-45.8	175.2	-63.6	162.8	0	0	0	110.2	V41 L42 Y76 F115 I339 L340 E341 T346 R347	V41-I343 WeakPolarHBondContact O-CD1 3.31Å; L42-I343 HydrophobicContact CB-CG2 4.46Å; Y76-I343 HydrophobicContact CD2-CG1 3.93Å; Y76-I343 HydrophobicContact CG-CG1 4.32Å; F115-I343 HydrophobicContact CD2-CG2 4.25Å; I339-I343 HydrophobicContact CG2-CD1 4.03Å; I339-I343 WeakPolarHBondContact O-CG1 3.44Å; I339-I343 PolarHBondContact O-N 3.31Å; I339-I343 VanDerWaalsContact O-N 3.14Å; L340-I343 PolarHBondContact O-N 3.49Å; E341-I343 VanDerWaalsContact C-N 3.34Å; E341-I343 PolarHBondContact O-N 3.49Å; I343-T346 WeakPolarHBondContact CA-OG1 3.47Å; I343-T346 PolarHBondContact O-N 3.03Å; I343-T346 PolarHBondContact O-OG1 2.93Å; I343-T346 VanDerWaalsContact O-OG1 3.05Å; I343-R347 PolarHBondContact O-N 3.18Å; I343-R347 VanDerWaalsContact O-N 3.14Å
344	E	89.3	Confident	83.7	Confident	113 Å²	113	83.9 Å²	83.9	53%	0.528	40%	0.401	S	S	.	.	H	α-helix	trans	-63.5	-43.2	177	-72.3	-176.2	179.1	0	0	111.7	L340 E341 T346 R347 H348	L340-E344 PolarHBondContact O-N 2.91Å; E341-E344 PolarHBondContact O-N 2.79Å; E344-T346 VanDerWaalsContact C-N 3.29Å; E344-T346 PolarHBondContact O-N 2.85Å; E344-R347 WeakPolarHBondContact O-CB 3.36Å; E344-R347 PolarHBondContact O-N 2.79Å; E344-R347 VanDerWaalsContact O-N 3.1Å; E344-H348 PolarHBondContact O-CD2 3.01Å; E344-H348 PolarHBondContact O-N 3.39Å
345	R	88	Confident	82.5	Confident	162 Å²	162	78 Å²	78	61%	0.611	37%	0.37	S	S	*	.	H	α-helix	trans	-58.4	-42	176.5	-174	175.4	-179.1	157.4	1.3	111.7	E341 H348 L349	E341-R345 WeakPolarHBondContact O-CB 3.42Å; E341-R345 PolarHBondContact O-N 3.4Å; R345-H348 PolarHBondContact O-N 3.37Å; R345-L349 HydrophobicContact CG-CD1 3.79Å; R345-L349 VanDerWaalsContact O-CD1 3.26Å; R345-L349 WeakPolarHBondContact O-CD1 3.47Å; R345-L349 PolarHBondContact O-N 2.97Å
346	T	84.7	Confident	81.4	Confident	10 Å²	10	77.5 Å²	77.5	6%	0.061	37%	0.369	C	S	.	.	H	α-helix	trans	-69.9	-28.9	177.3	28.8	0	0	0	0	113.2	S38 Y76 G118 N342 I343 E344 H348 L352	S38-T346 WeakPolarHBondContact OG-CG2 3.16Å; Y76-T346 HydrophobicContact CE2-CG2 4.03Å; G118-T346 VanDerWaalsContact CA-O 3.28Å; G118-T346 WeakPolarHBondContact CA-O 3.39Å; N342-T346 PolarHBondContact O-N 2.97Å; N342-T346 PolarHBondContact O-OG1 3.38Å; I343-T346 WeakPolarHBondContact CA-OG1 3.47Å; I343-T346 PolarHBondContact O-N 3.03Å; I343-T346 PolarHBondContact O-OG1 2.93Å; I343-T346 VanDerWaalsContact O-OG1 3.05Å; E344-T346 VanDerWaalsContact C-N 3.29Å; E344-T346 PolarHBondContact O-N 2.85Å; T346-H348 VanDerWaalsContact C-N 3.28Å; T346-H348 PolarHBondContact O-N 3.12Å; T346-L352 HydrophobicContact CG2-CD1 3.99Å; T346-L352 HydrophobicContact CG2-CD2 4.36Å; T346-L352 WeakPolarHBondContact O-CD1 3.26Å
347	R	81	Confident	80.3	Confident	94 Å²	94	79.8 Å²	79.8	36%	0.355	38%	0.377	S	S	.	.	H	α-helix	trans	-62.8	-34.7	170.8	-74.7	-175.8	179	-167.5	2.5	112.8	E113 F115 I343 E344	E113-R347 IonicContact OE2-CZ 2.76Å; E113-R347 IonicContact OE2-NH1 3.39Å; E113-R347 IonicContact OE2-NH2 2.75Å; E113-R347 PolarHBondContact OE2-NH2 3.17Å; F115-R347 HydrophobicContact CD1-CG 3.97Å; F115-R347 HydrophobicContact CE1-CG 4.12Å; F115-R347 VanDerWaalsContact CE1-NE 3.33Å; F115-R347 HydrophobicContact CG-CG 4.41Å; I343-R347 PolarHBondContact O-N 3.18Å; I343-R347 VanDerWaalsContact O-N 3.14Å; E344-R347 WeakPolarHBondContact O-CB 3.36Å; E344-R347 PolarHBondContact O-N 2.79Å; E344-R347 VanDerWaalsContact O-N 3.1Å
348	H	77.4	Confident	79.2	Confident	152 Å²	152	75.5 Å²	75.5	70%	0.704	36%	0.357	S	S	*	.	H	α-helix	trans	-87.8	-18.4	-175.6	-67.6	-60.3	0	0	0	114.3	E344 R345 T346 K350	E344-H348 PolarHBondContact O-CD2 3.01Å; E344-H348 PolarHBondContact O-N 3.39Å; R345-H348 PolarHBondContact O-N 3.37Å; T346-H348 VanDerWaalsContact C-N 3.28Å; T346-H348 PolarHBondContact O-N 3.12Å; H348-K350 PolarHBondContact O-N 2.86Å; H348-K350 VanDerWaalsContact O-N 3.14Å
349	L	76.2	Confident	77.9	Confident	71 Å²	71	72.9 Å²	72.9	37%	0.372	35%	0.351	S	S	.	.			trans	-74.9	101.8	178.2	-103.5	97.5	0	0	0	111.9	R345 T351 L352	R345-L349 HydrophobicContact CG-CD1 3.79Å; R345-L349 VanDerWaalsContact O-CD1 3.26Å; R345-L349 WeakPolarHBondContact O-CD1 3.47Å; R345-L349 PolarHBondContact O-N 2.97Å; L349-T351 PolarHBondContact O-N 3.23Å; L349-L352 HydrophobicContact CB-CD1 3.73Å; L349-L352 HydrophobicContact CB-CG 3.94Å; L349-L352 WeakPolarHBondContact O-CD1 3.44Å
350	K	62.1	Low	76.3	Confident	212 Å²	212	79.7 Å²	79.7	92%	0.922	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-13.1	173	-70.6	-175.1	179.2	179.6	0	114.5	H348 L352	H348-K350 PolarHBondContact O-N 2.86Å; H348-K350 VanDerWaalsContact O-N 3.14Å; K350-L352 VanDerWaalsContact C-N 3.28Å
351	T	64.2	Low	75.3	Confident	123 Å²	123	83 Å²	83	76%	0.755	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	4.9	-178	55.5	0	0	0	0	113.4	L349	L349-T351 PolarHBondContact O-N 3.23Å
352	L	66.4	Low	74.4	Confident	38 Å²	38	81.1 Å²	81.1	20%	0.199	40%	0.396	C	S	.	.	S	Bend	trans	-68.8	145.8	-180	-77.1	159.5	0	0	0	111.2	N117 T346 L349 K350	N117-L352 HydrophobicContact CB-CB 4.15Å; T346-L352 HydrophobicContact CG2-CD1 3.99Å; T346-L352 HydrophobicContact CG2-CD2 4.36Å; T346-L352 WeakPolarHBondContact O-CD1 3.26Å; L349-L352 HydrophobicContact CB-CD1 3.73Å; L349-L352 HydrophobicContact CB-CG 3.94Å; L349-L352 WeakPolarHBondContact O-CD1 3.44Å; K350-L352 VanDerWaalsContact C-N 3.28Å
353	P	67.4	Low	74	Confident	30 Å²	30	79.5 Å²	79.5	20%	0.195	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-60.9	145.7	177.8	22.6	-29.7	0	0	0	110.6	A35 N117	A35-P353 HydrophobicContact CB-CB 3.92Å; A35-P353 HydrophobicContact CB-CG 3.78Å; N117-P353 WeakPolarHBondContact CB-O 3.23Å; N117-P353 PolarHBondContact ND2-O 3.05Å
354	M	69.8	Low	73.9	Confident	131 Å²	131	81.2 Å²	81.2	65%	0.645	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-53.1	147.3	177.4	-160.4	178.1	98.6	0	0	110.8	N117 P356 F357	N117-M354 PolarHBondContact ND2-O 3.16Å; M354-P356 VanDerWaalsContact O-N 3.16Å; M354-F357 HydrophobicContact CE-CD2 4.48Å
355	V	69.3	Low	73.9	Confident	15 Å²	15	80.6 Å²	80.6	9%	0.091	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-49.5	123.6	178.9	-177.9	0	0	0	0	109.6	V116 C119 L121 C129 F357	V116-V355 HydrophobicContact CB-CG1 4.48Å; V116-V355 HydrophobicContact CG1-CG1 4.26Å; C119-V355 HydrophobicContact CB-CG2 3.67Å; L121-V355 HydrophobicContact CD2-CG1 3.96Å; C129-V355 HydrophobicContact CB-CG1 4.44Å; V355-F357 VanDerWaalsContact C-N 3.27Å; V355-F357 HydrophobicContact CB-CD2 4.47Å; V355-F357 HydrophobicContact CB-CE2 3.95Å; V355-F357 HydrophobicContact CB-CZ 3.99Å; V355-F357 HydrophobicContact CG1-CD1 4.37Å; V355-F357 HydrophobicContact CG1-CE1 3.96Å; V355-F357 HydrophobicContact CG1-CE2 4.23Å; V355-F357 HydrophobicContact CG1-CZ 3.88Å; V355-F357 WeakPolarHBondContact O-CD2 3.3Å; V355-F357 PolarHBondContact O-N 2.76Å
356	P	70.6	Confident	73.9	Confident	21 Å²	21	81 Å²	81	14%	0.136	41%	0.411	C	S	.	.			trans	-79.1	80.1	-174.4	31.9	-33.4	0	0	0	109.3	V116 N117 K213 M354 K358	V116-P356 HydrophobicContact CG1-CG 4.31Å; N117-P356 WeakPolarHBondContact ND2-CD 3.31Å; K213-P356 HydrophobicContact CB-CB 3.82Å; K213-P356 HydrophobicContact CB-CG 3.87Å; K213-P356 HydrophobicContact CG-CB 3.74Å; K213-P356 HydrophobicContact CG-CG 4.34Å; M354-P356 VanDerWaalsContact O-N 3.16Å; P356-K358 PolarHBondContact O-N 3.12Å
357	F	70.5	Confident	74.2	Confident	64 Å²	64	84 Å²	84	28%	0.281	43%	0.431	S	S	.	.			trans	-65.7	128.1	168.9	-61.3	-67	0	0	0	109.4	Q125 D128 M354 V355	Q125-F357 HydrophobicContact CB-CE1 3.92Å; Q125-F357 HydrophobicContact CG-CE1 3.91Å; Q125-F357 HydrophobicContact CG-CZ 4.26Å; D128-F357 HydrophobicContact CB-CD1 3.82Å; D128-F357 CarbonylContact O-C 3.6Å; D128-F357 WeakPolarHBondContact O-CA 3.41Å; M354-F357 HydrophobicContact CE-CD2 4.48Å; V355-F357 VanDerWaalsContact C-N 3.27Å; V355-F357 HydrophobicContact CB-CD2 4.47Å; V355-F357 HydrophobicContact CB-CE2 3.95Å; V355-F357 HydrophobicContact CB-CZ 3.99Å; V355-F357 HydrophobicContact CG1-CD1 4.37Å; V355-F357 HydrophobicContact CG1-CE1 3.96Å; V355-F357 HydrophobicContact CG1-CE2 4.23Å; V355-F357 HydrophobicContact CG1-CZ 3.88Å; V355-F357 WeakPolarHBondContact O-CD2 3.3Å; V355-F357 PolarHBondContact O-N 2.76Å
358	K	70.8	Confident	74.8	Confident	22 Å²	22	80.8 Å²	80.8	10%	0.096	42%	0.419	C	S	.	.	S	Bend	trans	-46.5	151.3	159.9	-67.7	164	171.4	-176.5	0	109.4	Q127 D128 V130 Q210 P356 K360	Q127-K358 WeakPolarHBondContact O-CD 3.42Å; Q127-K358 PolarHBondContact O-NZ 2.9Å; D128-K358 WeakPolarHBondContact O-CA 3.35Å; D128-K358 WeakPolarHBondContact O-CB 3.48Å; D128-K358 WeakPolarHBondContact O-CD 3.14Å; D128-K358 WeakPolarHBondContact O-CG 3.31Å; D128-K358 PolarHBondContact O-N 3.33Å; V130-K358 VanDerWaalsContact C-NZ 3.29Å; V130-K358 WeakPolarHBondContact O-CE 3.49Å; V130-K358 PolarHBondContact O-NZ 3.45Å; Q210-K358 HydrophobicContact CB-CG 4.38Å; Q210-K358 VanDerWaalsContact OE1-CD 3.24Å; Q210-K358 VanDerWaalsContact OE1-CE 3.32Å; P356-K358 PolarHBondContact O-N 3.12Å; K358-K360 PolarHBondContact O-N 3.35Å
359	T	66.1	Low	75.7	Confident	56 Å²	56	74.8 Å²	74.8	34%	0.344	39%	0.392	S	S	.	.			trans	-32.5	120	-168.8	49.1	0	0	0	0	115.5	L157 N361	L157-T359 HydrophobicContact CD2-CG2 3.47Å; L157-T359 VanDerWaalsContact CD2-CG2 3.47Å; L157-T359 VanDerWaalsContact CD2-OG1 3.26Å; L157-T359 WeakPolarHBondContact CD2-OG1 3.46Å; T359-N361 PolarHBondContact O-N 2.96Å
360	K	61	Low	76.6	Confident	152 Å²	152	73.3 Å²	73.3	66%	0.661	40%	0.395	S	S	*	.	S	Bend	trans	-66.8	-7	-167.3	-64.6	-178.3	177.9	178.8	0	116.7	K358	K358-K360 PolarHBondContact O-N 3.35Å
361	N	70.6	Confident	78.2	Confident	113 Å²	113	64.1 Å²	64.1	60%	0.604	36%	0.356	S	S	*	.			trans	-130.4	83.8	-170.6	-70	-32.4	0	0	0	111.5	R158 T359	R158-N361 HydrophobicContact CB-CB 4.29Å; R158-N361 WeakPolarHBondContact CB-O 3.42Å; R158-N361 PolarHBondContact N-O 2.88Å; T359-N361 PolarHBondContact O-N 2.96Å
362	P	75.8	Confident	79.7	Confident	82 Å²	82	58.3 Å²	58.3	53%	0.532	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-63.6	147.1	171.3	26.1	-33	0	0	0	110.7
363	P	83.5	Confident	81.1	Confident	9 Å²	9	58.9 Å²	58.9	6%	0.058	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-66.6	153.9	176.5	23.8	-29.2	0	0	0	111.4	L155 K368	L155-P363 WeakPolarHBondContact O-CD 3.01Å; L155-P363 WeakPolarHBondContact O-CG 3.45Å; P363-K368 HydrophobicContact CB-CG 4.36Å; P363-K368 HydrophobicContact CG-CD 4.41Å; P363-K368 HydrophobicContact CG-CG 3.86Å; P363-K368 VanDerWaalsContact O-CE 3.27Å; P363-K368 WeakPolarHBondContact O-CE 3.2Å
364	G	86.6	Confident	82.5	Confident	36 Å²	36	64.8 Å²	64.8	37%	0.371	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-64.1	155.6	-179.6	0	0	0	0	0	113.1	F366 C367 K368	G364-F366 VanDerWaalsContact C-N 3.33Å; G364-F366 PolarHBondContact O-N 2.96Å; G364-C367 WeakPolarHBondContact O-CB 3.42Å; G364-C367 PolarHBondContact O-N 3.32Å; G364-K368 PolarHBondContact O-N 2.94Å
365	M	88.9	Confident	83.8	Confident	99 Å²	99	58.5 Å²	58.5	49%	0.488	31%	0.311	S	S	.	.	H	α-helix	trans	-54.4	-44	-174.5	-166.6	178.3	96.7	0	0	113.6	K368 L369 W462	M365-K368 PolarHBondContact O-N 3.31Å; M365-L369 PolarHBondContact O-N 3.34Å; M365-W462 HydrophobicContact CE-CH2 3.5Å; M365-W462 VanDerWaalsContact CE-CH2 3.5Å; M365-W462 HydrophobicContact CE-CZ2 4.05Å; M365-W462 HydrophobicContact CG-CH2 4.16Å; M365-W462 HydrophobicContact CG-CZ2 4.24Å; M365-W462 HydrophobicContact SD-CH2 3.63Å; M365-W462 HydrophobicContact SD-CZ2 3.56Å; M365-W462 VanDerWaalsContact SD-CZ2 3.56Å
366	F	89.8	Confident	85.1	Confident	172 Å²	172	57.9 Å²	57.9	75%	0.754	31%	0.307	S	S	*	.	H	α-helix	trans	-67.8	-36	178.9	-63.5	-72	0	0	0	112.7	G364 L369 G370	G364-F366 VanDerWaalsContact C-N 3.33Å; G364-F366 PolarHBondContact O-N 2.96Å; F366-L369 PolarHBondContact O-N 2.84Å; F366-G370 PolarHBondContact O-N 2.85Å
367	C	91	Very high	86.2	Confident	71 Å²	71	59.1 Å²	59.1	48%	0.48	31%	0.314	S	S	.	.	H	α-helix	trans	-66.2	-46	176.1	-173.2	0	0	0	0	110.4	G364 L369 G370 V371	G364-C367 WeakPolarHBondContact O-CB 3.42Å; G364-C367 PolarHBondContact O-N 3.32Å; C367-L369 VanDerWaalsContact C-N 3.34Å; C367-L369 PolarHBondContact O-N 2.81Å; C367-G370 PolarHBondContact O-N 3Å; C367-V371 WeakPolarHBondContact O-CG2 3.47Å; C367-V371 PolarHBondContact O-N 3.12Å
368	K	93.8	Very high	87.4	Confident	27 Å²	27	60.5 Å²	60.5	12%	0.117	32%	0.318	C	S	.	.	H	α-helix	trans	-55.2	-48.5	174.5	-69.8	-173.4	177.2	-167.7	0	111.6	L155 P363 G364 M365 G370 V371 L372 L458	L155-K368 HydrophobicContact CD2-CB 4.12Å; L155-K368 HydrophobicContact CD2-CG 4.29Å; P363-K368 HydrophobicContact CB-CG 4.36Å; P363-K368 HydrophobicContact CG-CD 4.41Å; P363-K368 HydrophobicContact CG-CG 3.86Å; P363-K368 VanDerWaalsContact O-CE 3.27Å; P363-K368 WeakPolarHBondContact O-CE 3.2Å; G364-K368 PolarHBondContact O-N 2.94Å; M365-K368 PolarHBondContact O-N 3.31Å; K368-G370 PolarHBondContact O-N 3.25Å; K368-V371 PolarHBondContact O-N 3.47Å; K368-L372 WeakPolarHBondContact O-CB 3.01Å; K368-L372 WeakPolarHBondContact O-CD1 3.3Å; K368-L372 PolarHBondContact O-N 3.18Å; K368-L458 WeakPolarHBondContact CD-O 3.45Å; K368-L458 VanDerWaalsContact CE-O 3.32Å; K368-L458 WeakPolarHBondContact CE-O 3.02Å; K368-L458 PolarHBondContact NZ-O 3.02Å
369	L	94.9	Very high	88.5	Confident	26 Å²	26	59.8 Å²	59.8	14%	0.136	32%	0.315	C	S	.	.	H	α-helix	trans	-61.7	-42.2	178.7	-176.2	66.3	0	0	0	112.4	M365 F366 C367 L372 L373 Q463 L466 A467 L470	M365-L369 PolarHBondContact O-N 3.34Å; F366-L369 PolarHBondContact O-N 2.84Å; C367-L369 VanDerWaalsContact C-N 3.34Å; C367-L369 PolarHBondContact O-N 2.81Å; L369-L372 PolarHBondContact O-N 3.41Å; L369-L373 WeakPolarHBondContact O-CB 3.39Å; L369-L373 PolarHBondContact O-N 3.23Å; L369-Q463 WeakPolarHBondContact CD1-O 3.44Å; L369-L466 HydrophobicContact CD1-CB 3.98Å; L369-L466 HydrophobicContact CD1-CD2 4.03Å; L369-L466 HydrophobicContact CD1-CG 4.02Å; L369-L466 HydrophobicContact CD2-CD2 3.58Å; L369-L466 HydrophobicContact CD2-CG 4.2Å; L369-L466 HydrophobicContact CG-CD2 4.48Å; L369-A467 HydrophobicContact CD1-CB 4.23Å; L369-L470 HydrophobicContact CD2-CD1 4.27Å
370	G	95.1	Very high	89.7	Confident	41 Å²	41	57.2 Å²	57.2	42%	0.423	30%	0.299	S	S	.	.	H	α-helix	trans	-63.3	-40.5	177.1	0	0	0	0	0	113	F366 C367 K368 R374	F366-G370 PolarHBondContact O-N 2.85Å; C367-G370 PolarHBondContact O-N 3Å; K368-G370 PolarHBondContact O-N 3.25Å; G370-R374 WeakPolarHBondContact O-CB 3.06Å; G370-R374 PolarHBondContact O-N 3.39Å
371	V	95.3	Very high	91.2	Very high	19 Å²	19	55.1 Å²	55.1	12%	0.115	29%	0.293	C	S	.	.	H	α-helix	trans	-66.4	-45	175.5	176.4	0	0	0	0	110.9	Y151 M154 L155 C367 K368 R374 R375	Y151-V371 HydrophobicContact CD1-CG1 3.85Å; M154-V371 HydrophobicContact CB-CG1 3.93Å; M154-V371 HydrophobicContact CB-CG2 4.2Å; L155-V371 HydrophobicContact CD2-CB 4.11Å; L155-V371 HydrophobicContact CD2-CG1 4.05Å; L155-V371 HydrophobicContact CG-CG1 3.98Å; C367-V371 WeakPolarHBondContact O-CG2 3.47Å; C367-V371 PolarHBondContact O-N 3.12Å; K368-V371 PolarHBondContact O-N 3.47Å; V371-R374 PolarHBondContact O-N 2.83Å; V371-R375 WeakPolarHBondContact O-CB 3.28Å; V371-R375 PolarHBondContact O-N 3.47Å
372	L	96.7	Very high	92.2	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.5	-46.8	174.8	-88.5	151.3	0	0	0	111.8	L155 K368 L369 R374 R375 V376 Y459 Q463 M464 A467	L155-L372 HydrophobicContact CD2-CD1 4.25Å; L155-L372 HydrophobicContact CD2-CG 4.14Å; K368-L372 WeakPolarHBondContact O-CB 3.01Å; K368-L372 WeakPolarHBondContact O-CD1 3.3Å; K368-L372 PolarHBondContact O-N 3.18Å; L369-L372 PolarHBondContact O-N 3.41Å; L372-R374 PolarHBondContact O-N 3.21Å; L372-R375 PolarHBondContact O-N 2.91Å; L372-V376 WeakPolarHBondContact O-CB 3.41Å; L372-V376 VanDerWaalsContact O-CG2 3.31Å; L372-V376 WeakPolarHBondContact O-CG2 3.21Å; L372-V376 PolarHBondContact O-N 3.34Å; L372-Y459 HydrophobicContact CD1-CD1 4.03Å; L372-Y459 HydrophobicContact CD1-CD2 4.28Å; L372-Y459 HydrophobicContact CD1-CE1 4.49Å; L372-Y459 HydrophobicContact CD1-CG 3.9Å; L372-Y459 HydrophobicContact CD2-CD1 4.24Å; L372-Y459 HydrophobicContact CD2-CE1 3.87Å; L372-Y459 HydrophobicContact CD2-CE2 4.28Å; L372-Y459 HydrophobicContact CG-CD1 4.44Å; L372-Q463 HydrophobicContact CD1-CB 3.92Å; L372-M464 HydrophobicContact CD2-CE 3.42Å; L372-M464 VanDerWaalsContact CD2-CE 3.42Å; L372-M464 HydrophobicContact CD2-SD 3.93Å; L372-A467 HydrophobicContact CB-CB 3.87Å
373	L	96.7	Very high	92.9	Very high	51 Å²	51	52.8 Å²	52.8	27%	0.267	27%	0.269	S	S	.	.	H	α-helix	trans	-58.1	-49.6	176.7	179.5	58.9	0	0	0	110.7	L369 R375 V376 T377 A467 L470 H471	L369-L373 WeakPolarHBondContact O-CB 3.39Å; L369-L373 PolarHBondContact O-N 3.23Å; L373-R375 VanDerWaalsContact C-N 3.32Å; L373-R375 PolarHBondContact O-N 3.33Å; L373-V376 PolarHBondContact O-N 3.26Å; L373-T377 WeakPolarHBondContact O-CB 3.46Å; L373-T377 PolarHBondContact O-N 3.04Å; L373-T377 PolarHBondContact O-OG1 3.21Å; L373-A467 WeakPolarHBondContact CD1-O 3.42Å; L373-L470 HydrophobicContact CD1-CB 3.83Å; L373-L470 HydrophobicContact CD2-CB 4.27Å; L373-L470 HydrophobicContact CD2-CD1 4.44Å; L373-H471 HydrophobicContact CD1-CB 3.72Å
374	R	96.8	Very high	93.1	Very high	153 Å²	153	60.1 Å²	60.1	58%	0.577	30%	0.3	S	S	*	.	H	α-helix	trans	-59.4	-42.6	177.4	-172.9	-179.5	177.6	-174.2	0.1	112.1	Y151 G370 V371 L372 R378	Y151-R374 HydrophobicContact CE1-CG 4.36Å; G370-R374 WeakPolarHBondContact O-CB 3.06Å; G370-R374 PolarHBondContact O-N 3.39Å; V371-R374 PolarHBondContact O-N 2.83Å; L372-R374 PolarHBondContact O-N 3.21Å; R374-R378 VanDerWaalsContact O-CB 3.3Å; R374-R378 WeakPolarHBondContact O-CB 3.39Å; R374-R378 PolarHBondContact O-N 2.57Å
375	R	96.9	Very high	93.2	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.9	-49.4	178.3	-177.2	-177.2	-177.1	-165.4	-3.6	111.3	L140 L143 Y151 V371 L372 L373 R378 N379 E453	L140-R375 HydrophobicContact CD1-CG 3.93Å; L143-R375 HydrophobicContact CD1-CG 3.79Å; Y151-R375 HydrophobicContact CD1-CB 3.91Å; Y151-R375 HydrophobicContact CD1-CG 4.35Å; Y151-R375 HydrophobicContact CD2-CB 4.03Å; Y151-R375 HydrophobicContact CD2-CG 3.65Å; Y151-R375 HydrophobicContact CE1-CB 3.99Å; Y151-R375 HydrophobicContact CE2-CB 4.12Å; Y151-R375 HydrophobicContact CE2-CG 4.01Å; Y151-R375 HydrophobicContact CG-CB 3.94Å; Y151-R375 HydrophobicContact CG-CG 3.86Å; V371-R375 WeakPolarHBondContact O-CB 3.28Å; V371-R375 PolarHBondContact O-N 3.47Å; L372-R375 PolarHBondContact O-N 2.91Å; L373-R375 VanDerWaalsContact C-N 3.32Å; L373-R375 PolarHBondContact O-N 3.33Å; R375-R378 PolarHBondContact O-N 3.06Å; R375-N379 WeakPolarHBondContact O-CB 3.19Å; R375-N379 PolarHBondContact O-N 3.06Å; R375-E453 IonicContact CZ-OE1 3.89Å; R375-E453 VanDerWaalsContact CZ-OE1 3.3Å; R375-E453 IonicContact CZ-OE2 3.65Å; R375-E453 VanDerWaalsContact NH1-CD 3.26Å; R375-E453 IonicContact NH1-OE1 3.69Å; R375-E453 PolarHBondContact NH1-OE1 3.16Å; R375-E453 IonicContact NH1-OE2 3.76Å; R375-E453 PolarHBondContact NH1-OE2 3.25Å; R375-E453 IonicContact NH2-OE1 3.19Å; R375-E453 PolarHBondContact NH2-OE1 3.07Å; R375-E453 IonicContact NH2-OE2 3.32Å
376	V	95.8	Very high	93.2	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.012	30%	0.297	C	S	.	.	H	α-helix	trans	-64.7	-45.7	-179.6	169.5	0	0	0	0	111.1	L372 L373 R378 N379 L380 L446 M464 A467 H471	L372-V376 WeakPolarHBondContact O-CB 3.41Å; L372-V376 VanDerWaalsContact O-CG2 3.31Å; L372-V376 WeakPolarHBondContact O-CG2 3.21Å; L372-V376 PolarHBondContact O-N 3.34Å; L373-V376 PolarHBondContact O-N 3.26Å; V376-R378 VanDerWaalsContact C-N 3.35Å; V376-R378 PolarHBondContact O-N 3.33Å; V376-N379 PolarHBondContact O-N 3.49Å; V376-L380 PolarHBondContact O-N 3.01Å; V376-L446 HydrophobicContact CB-CD2 4.41Å; V376-L446 HydrophobicContact CG1-CD2 3.74Å; V376-L446 HydrophobicContact CG2-CD2 3.78Å; V376-M464 HydrophobicContact CG2-SD 3.67Å; V376-A467 HydrophobicContact CG2-CB 4.48Å; V376-H471 HydrophobicContact CG1-CB 4.28Å; V376-H471 VanDerWaalsContact CG1-CD2 3.46Å; V376-H471 WeakPolarHBondContact CG1-CD2 3.46Å
377	T	94.7	Very high	93.3	Very high	46 Å²	46	54 Å²	54	28%	0.282	27%	0.267	S	S	.	.	H	α-helix	trans	-61.1	-42.6	175.8	-57.4	0	0	0	0	111.6	L373 L380 M381	L373-T377 WeakPolarHBondContact O-CB 3.46Å; L373-T377 PolarHBondContact O-N 3.04Å; L373-T377 PolarHBondContact O-OG1 3.21Å; T377-L380 PolarHBondContact O-N 3.02Å; T377-M381 HydrophobicContact CG2-CG 4.24Å; T377-M381 WeakPolarHBondContact O-CB 3.32Å; T377-M381 VanDerWaalsContact O-CG 3.28Å; T377-M381 WeakPolarHBondContact O-CG 3.34Å; T377-M381 PolarHBondContact O-N 2.77Å
378	R	95.6	Very high	93.4	Very high	94 Å²	94	55.1 Å²	55.1	36%	0.355	27%	0.267	S	S	.	.	H	α-helix	trans	-64.6	-41.9	178	-168.3	174.9	-172.8	105	-10.7	111.9	L143 E147 Y151 R374 R375 V376 M381 R382	L143-R378 HydrophobicContact CD2-CB 4.34Å; L143-R378 HydrophobicContact CD2-CG 4.15Å; E147-R378 IonicContact OE1-CZ 2.86Å; E147-R378 IonicContact OE1-NE 3.78Å; E147-R378 PolarHBondContact OE1-NE 3.41Å; E147-R378 IonicContact OE1-NH2 2.83Å; E147-R378 PolarHBondContact OE1-NH2 2.87Å; E147-R378 IonicContact OE2-NE 3.88Å; Y151-R378 WeakPolarHBondContact OH-CD 3.32Å; R374-R378 VanDerWaalsContact O-CB 3.3Å; R374-R378 WeakPolarHBondContact O-CB 3.39Å; R374-R378 PolarHBondContact O-N 2.57Å; R375-R378 PolarHBondContact O-N 3.06Å; V376-R378 VanDerWaalsContact C-N 3.35Å; V376-R378 PolarHBondContact O-N 3.33Å; R378-M381 PolarHBondContact O-N 3.09Å; R378-R382 PolarHBondContact O-N 2.68Å
379	N	93.5	Very high	93.2	Very high	7 Å²	7	58.9 Å²	58.9	4%	0.037	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-44.5	175.3	177.9	69	0	0	0	111.4	L140 S142 L143 R375 V376 N383	L140-N379 HydrophobicContact CD1-CB 4.21Å; S142-N379 WeakPolarHBondContact OG-CA 3.36Å; S142-N379 VanDerWaalsContact OG-CG 3.27Å; S142-N379 PolarHBondContact OG-O 2.82Å; S142-N379 PolarHBondContact OG-OD1 3.37Å; L143-N379 HydrophobicContact CD2-CB 4.24Å; L143-N379 HydrophobicContact CG-CB 4.35Å; R375-N379 WeakPolarHBondContact O-CB 3.19Å; R375-N379 PolarHBondContact O-N 3.06Å; V376-N379 PolarHBondContact O-N 3.49Å; N379-N383 PolarHBondContact O-N 3.49Å
380	L	91.7	Very high	93.1	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-64.3	-49.2	177.3	-177.7	60.6	0	0	0	111.7	V376 T377 R382 N383 V386 V387 L442 F475	V376-L380 PolarHBondContact O-N 3.01Å; T377-L380 PolarHBondContact O-N 3.02Å; L380-R382 PolarHBondContact O-N 3.29Å; L380-N383 CarbonylContact O-C 3.59Å; L380-N383 PolarHBondContact O-N 2.87Å; L380-V386 HydrophobicContact CD1-CB 4.11Å; L380-V386 HydrophobicContact CD1-CG1 3.54Å; L380-V387 HydrophobicContact CD1-CG2 4.2Å; L380-V387 HydrophobicContact CG-CG2 4.01Å; L380-V387 WeakPolarHBondContact O-CG2 3.31Å; L380-L442 HydrophobicContact CD1-CD1 4.36Å; L380-L442 HydrophobicContact CD1-CD2 3.74Å; L380-L442 HydrophobicContact CD2-CD2 4.45Å; L380-F475 HydrophobicContact CD2-CD2 4.01Å; L380-F475 HydrophobicContact CD2-CE2 3.73Å; L380-F475 HydrophobicContact CD2-CZ 4.02Å
381	M	91.8	Very high	92.9	Very high	108 Å²	108	57.9 Å²	57.9	53%	0.532	27%	0.271	S	S	.	.	H	α-helix	trans	-62.3	-28.5	-175.8	-74.2	-61.8	-69.4	0	0	114	T377 R378 F475	T377-M381 HydrophobicContact CG2-CG 4.24Å; T377-M381 WeakPolarHBondContact O-CB 3.32Å; T377-M381 VanDerWaalsContact O-CG 3.28Å; T377-M381 WeakPolarHBondContact O-CG 3.34Å; T377-M381 PolarHBondContact O-N 2.77Å; R378-M381 PolarHBondContact O-N 3.09Å; M381-F475 HydrophobicContact CG-CZ 4.39Å; M381-F475 HydrophobicContact SD-CE1 3.77Å; M381-F475 HydrophobicContact SD-CZ 3.54Å; M381-F475 VanDerWaalsContact SD-CZ 3.54Å
382	R	91.6	Very high	92.7	Very high	91 Å²	91	59.7 Å²	59.7	34%	0.343	28%	0.282	S	S	.	.	H	α-helix	trans	-78.5	-27.2	174.7	-77.8	-169.5	170.7	163.9	4.7	113.3	S142 E147 R378 L380 K384	S142-R382 WeakPolarHBondContact O-CD 3.26Å; S142-R382 PolarHBondContact O-NH1 3.32Å; E147-R382 IonicContact OE1-CZ 3.94Å; E147-R382 IonicContact OE1-NH1 2.72Å; E147-R382 PolarHBondContact OE1-NH1 3.38Å; E147-R382 IonicContact OE1-NH2 3.3Å; E147-R382 PolarHBondContact OE1-NH2 3.35Å; E147-R382 IonicContact OE2-CZ 2.61Å; E147-R382 IonicContact OE2-NH1 3.65Å; E147-R382 PolarHBondContact OE2-NH1 3.48Å; E147-R382 IonicContact OE2-NH2 3.84Å; R378-R382 PolarHBondContact O-N 2.68Å; L380-R382 PolarHBondContact O-N 3.29Å; R382-K384 VanDerWaalsContact C-N 3.34Å; R382-K384 PolarHBondContact O-N 3.13Å
383	N	89.8	Confident	92.5	Very high	55 Å²	55	60.9 Å²	60.9	29%	0.294	29%	0.288	S	S	.	.			trans	-82.5	81	173.9	-166.5	-22.8	0	0	0	110.8	N379 L380 Q385 V386 V387	N379-N383 PolarHBondContact O-N 3.49Å; L380-N383 CarbonylContact O-C 3.59Å; L380-N383 PolarHBondContact O-N 2.87Å; N383-Q385 PolarHBondContact O-N 3.41Å; N383-Q385 PolarHBondContact OD1-N 3.25Å; N383-V386 HydrophobicContact CB-CB 4.38Å; N383-V386 HydrophobicContact CB-CG2 4.36Å; N383-V386 VanDerWaalsContact CG-CG2 3.5Å; N383-V386 WeakPolarHBondContact ND2-CG2 3.3Å; N383-V386 PolarHBondContact O-N 3.45Å; N383-V386 VanDerWaalsContact O-N 3.13Å; N383-V386 PolarHBondContact OD1-N 3.44Å; N383-V387 PolarHBondContact O-N 2.97Å; N383-V387 VanDerWaalsContact O-N 3.15Å
384	K	88.5	Confident	92.1	Very high	163 Å²	163	58.6 Å²	58.6	71%	0.709	28%	0.275	S	S	*	.	H	α-helix	trans	-52.9	-39.9	-178.3	-64.9	-177.2	-178.7	179.8	0	112.8	R382 V386 V387 I388	R382-K384 VanDerWaalsContact C-N 3.34Å; R382-K384 PolarHBondContact O-N 3.13Å; K384-V386 PolarHBondContact O-N 2.9Å; K384-V387 PolarHBondContact O-N 3.24Å; K384-I388 WeakPolarHBondContact O-CB 3.42Å; K384-I388 WeakPolarHBondContact O-CD1 3.45Å; K384-I388 VanDerWaalsContact O-CG1 3.23Å; K384-I388 WeakPolarHBondContact O-CG1 3.41Å; K384-I388 PolarHBondContact O-N 3.34Å
385	Q	88.4	Confident	91.9	Very high	120 Å²	120	52.9 Å²	52.9	56%	0.561	26%	0.256	S	S	*	.	H	α-helix	trans	-60.8	-45.5	-179.1	-175.1	179.3	-3.1	0	0	111.4	N383 M389	N383-Q385 PolarHBondContact O-N 3.41Å; N383-Q385 PolarHBondContact OD1-N 3.25Å; Q385-M389 VanDerWaalsContact O-CG 3.31Å; Q385-M389 WeakPolarHBondContact O-CG 3.35Å; Q385-M389 PolarHBondContact O-N 2.97Å
386	V	88.9	Confident	91.7	Very high	38 Å²	38	57.5 Å²	57.5	23%	0.23	28%	0.28	C	S	.	.	H	α-helix	trans	-68.7	-42.5	179.8	179.2	0	0	0	0	110.9	L380 N383 K384 I388 M389 R390 L442	L380-V386 HydrophobicContact CD1-CB 4.11Å; L380-V386 HydrophobicContact CD1-CG1 3.54Å; N383-V386 HydrophobicContact CB-CB 4.38Å; N383-V386 HydrophobicContact CB-CG2 4.36Å; N383-V386 VanDerWaalsContact CG-CG2 3.5Å; N383-V386 WeakPolarHBondContact ND2-CG2 3.3Å; N383-V386 PolarHBondContact O-N 3.45Å; N383-V386 VanDerWaalsContact O-N 3.13Å; N383-V386 PolarHBondContact OD1-N 3.44Å; K384-V386 PolarHBondContact O-N 2.9Å; V386-I388 PolarHBondContact O-N 3.25Å; V386-M389 PolarHBondContact O-N 3.45Å; V386-R390 HydrophobicContact CG1-CG 4.37Å; V386-R390 WeakPolarHBondContact O-CG 3.34Å; V386-R390 PolarHBondContact O-N 3.5Å; V386-L442 HydrophobicContact CG1-CD1 4.29Å; V386-L442 HydrophobicContact CG1-CD2 4.42Å
387	V	92.7	Very high	91.3	Very high	20 Å²	20	59.6 Å²	59.6	12%	0.121	29%	0.29	C	S	.	.	H	α-helix	trans	-60.1	-45.9	177.7	175.9	0	0	0	0	111.3	L380 N383 K384 M389 R390 L391 F475	L380-V387 HydrophobicContact CD1-CG2 4.2Å; L380-V387 HydrophobicContact CG-CG2 4.01Å; L380-V387 WeakPolarHBondContact O-CG2 3.31Å; N383-V387 PolarHBondContact O-N 2.97Å; N383-V387 VanDerWaalsContact O-N 3.15Å; K384-V387 PolarHBondContact O-N 3.24Å; V387-M389 PolarHBondContact O-N 3.12Å; V387-R390 PolarHBondContact O-N 3.17Å; V387-L391 HydrophobicContact CG1-CD1 4.04Å; V387-L391 WeakPolarHBondContact O-CG 3.43Å; V387-L391 PolarHBondContact O-N 3.27Å; V387-L391 VanDerWaalsContact O-N 3.14Å; V387-F475 HydrophobicContact CG1-CE1 4.19Å
388	I	92.8	Very high	91.1	Very high	96 Å²	96	57.4 Å²	57.4	49%	0.492	28%	0.277	S	S	.	.	H	α-helix	trans	-60.6	-47.4	177.7	-69	166.4	0	0	0	110.2	K384 V386 R390 L391 V392	K384-I388 WeakPolarHBondContact O-CB 3.42Å; K384-I388 WeakPolarHBondContact O-CD1 3.45Å; K384-I388 VanDerWaalsContact O-CG1 3.23Å; K384-I388 WeakPolarHBondContact O-CG1 3.41Å; K384-I388 PolarHBondContact O-N 3.34Å; V386-I388 PolarHBondContact O-N 3.25Å; I388-R390 VanDerWaalsContact C-N 3.34Å; I388-R390 PolarHBondContact O-N 2.95Å; I388-L391 PolarHBondContact O-N 2.89Å; I388-V392 HydrophobicContact CG2-CG2 4.09Å; I388-V392 VanDerWaalsContact O-CB 3.31Å; I388-V392 WeakPolarHBondContact O-CB 3.07Å; I388-V392 WeakPolarHBondContact O-CG2 3.38Å; I388-V392 PolarHBondContact O-N 3.34Å
389	M	90.1	Very high	90.9	Very high	106 Å²	106	57 Å²	57	52%	0.522	28%	0.281	S	S	.	.	H	α-helix	trans	-60	-42.7	178.7	-73	-65.7	166.9	0	0	112.2	Q385 V386 V387 L391 Q393	Q385-M389 VanDerWaalsContact O-CG 3.31Å; Q385-M389 WeakPolarHBondContact O-CG 3.35Å; Q385-M389 PolarHBondContact O-N 2.97Å; V386-M389 PolarHBondContact O-N 3.45Å; V387-M389 PolarHBondContact O-N 3.12Å; M389-L391 VanDerWaalsContact C-N 3.33Å; M389-L391 PolarHBondContact O-N 2.84Å; M389-Q393 VanDerWaalsContact O-CB 3.26Å; M389-Q393 WeakPolarHBondContact O-CB 2.86Å; M389-Q393 VanDerWaalsContact O-CG 3.25Å; M389-Q393 WeakPolarHBondContact O-CG 3.25Å; M389-Q393 PolarHBondContact O-N 3.45Å
390	R	91.4	Very high	90.9	Very high	3 Å²	3	62 Å²	62	1%	0.011	30%	0.303	C	S	.	.	H	α-helix	trans	-60.1	-40.4	177.3	-71.7	-171.7	71.1	94.3	8.1	112.8	V386 V387 I388 N438 Y468 S476 A479 E515	V386-R390 HydrophobicContact CG1-CG 4.37Å; V386-R390 WeakPolarHBondContact O-CG 3.34Å; V386-R390 PolarHBondContact O-N 3.5Å; V387-R390 PolarHBondContact O-N 3.17Å; I388-R390 VanDerWaalsContact C-N 3.34Å; I388-R390 PolarHBondContact O-N 2.95Å; R390-N438 WeakPolarHBondContact CG-OD1 3.47Å; R390-Y468 PolarHBondContact NH1-OH 3.31Å; R390-Y468 VanDerWaalsContact NH1-OH 3.16Å; R390-S476 PolarHBondContact NH2-OG 3.45Å; R390-A479 WeakPolarHBondContact O-CB 3.26Å; R390-E515 IonicContact CZ-OE1 3.89Å; R390-E515 VanDerWaalsContact CZ-OE1 3.24Å; R390-E515 IonicContact NH1-OE1 3.95Å; R390-E515 PolarHBondContact NH1-OE1 3.01Å; R390-E515 VanDerWaalsContact NH2-CD 3.28Å; R390-E515 IonicContact NH2-OE1 3.96Å; R390-E515 PolarHBondContact NH2-OE1 3.48Å; R390-E515 IonicContact NH2-OE2 3.26Å; R390-E515 PolarHBondContact NH2-OE2 3.47Å
391	L	91.6	Very high	90.8	Very high	42 Å²	42	62.8 Å²	62.8	22%	0.22	31%	0.307	C	S	.	.	H	α-helix	trans	-81	-35.6	-176.8	-66.1	175.6	0	0	0	112.9	V387 I388 M389 F475 V478 A479	V387-L391 HydrophobicContact CG1-CD1 4.04Å; V387-L391 WeakPolarHBondContact O-CG 3.43Å; V387-L391 PolarHBondContact O-N 3.27Å; V387-L391 VanDerWaalsContact O-N 3.14Å; I388-L391 PolarHBondContact O-N 2.89Å; M389-L391 VanDerWaalsContact C-N 3.33Å; M389-L391 PolarHBondContact O-N 2.84Å; L391-F475 HydrophobicContact CD2-CD1 4.46Å; L391-V478 HydrophobicContact CD2-CB 4.21Å; L391-V478 HydrophobicContact CD2-CG1 3.92Å; L391-A479 HydrophobicContact CD2-CB 4.32Å
392	V	91.7	Very high	90.9	Very high	57 Å²	57	58.8 Å²	58.8	35%	0.345	29%	0.287	S	S	.	.	H	α-helix	trans	-95.3	-26.2	-169.2	178.2	0	0	0	0	113	I388 N394 L395 I396	I388-V392 HydrophobicContact CG2-CG2 4.09Å; I388-V392 VanDerWaalsContact O-CB 3.31Å; I388-V392 WeakPolarHBondContact O-CB 3.07Å; I388-V392 WeakPolarHBondContact O-CG2 3.38Å; I388-V392 PolarHBondContact O-N 3.34Å; V392-N394 VanDerWaalsContact C-N 3.32Å; V392-N394 PolarHBondContact O-N 2.78Å; V392-L395 CarbonylContact O-C 3.53Å; V392-L395 WeakPolarHBondContact O-CA 3.47Å; V392-L395 WeakPolarHBondContact O-CB 2.89Å; V392-L395 PolarHBondContact O-N 3.38Å; V392-I396 HydrophobicContact CG1-CD1 3.76Å; V392-I396 HydrophobicContact CG1-CG1 3.8Å; V392-I396 WeakPolarHBondContact O-CG1 2.79Å; V392-I396 PolarHBondContact O-N 3.3Å
393	Q	91.3	Very high	90.9	Very high	26 Å²	26	61.8 Å²	61.8	12%	0.121	30%	0.303	C	S	.	.	H	α-helix	trans	-58.6	-38.7	-175.2	67.6	177.8	-6.9	0	0	114.1	M389 L395 I396 M397 T434 N438	M389-Q393 VanDerWaalsContact O-CB 3.26Å; M389-Q393 WeakPolarHBondContact O-CB 2.86Å; M389-Q393 VanDerWaalsContact O-CG 3.25Å; M389-Q393 WeakPolarHBondContact O-CG 3.25Å; M389-Q393 PolarHBondContact O-N 3.45Å; Q393-L395 VanDerWaalsContact C-N 3.33Å; Q393-I396 PolarHBondContact O-N 3.29Å; Q393-M397 PolarHBondContact O-N 3.45Å; Q393-M397 VanDerWaalsContact O-N 3.15Å; Q393-T434 HydrophobicContact CG-CG2 4.16Å; Q393-T434 PolarHBondContact NE2-O 3.39Å; Q393-N438 PolarHBondContact NE2-ND2 2.82Å; Q393-N438 VanDerWaalsContact NE2-ND2 3.16Å; Q393-N438 PolarHBondContact NE2-OD1 2.61Å
394	N	89.1	Confident	90.9	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.011	32%	0.318	C	S	.	.	H	α-helix	trans	-65.8	-43.5	178	-76.2	-7	0	0	0	109.2	V392 I396 M397 G398 T434 F483	V392-N394 VanDerWaalsContact C-N 3.32Å; V392-N394 PolarHBondContact O-N 2.78Å; N394-I396 VanDerWaalsContact C-N 3.34Å; N394-I396 PolarHBondContact O-N 2.9Å; N394-M397 PolarHBondContact O-N 3.2Å; N394-G398 PolarHBondContact O-N 2.79Å; N394-T434 WeakPolarHBondContact OD1-CB 3.44Å; N394-T434 VanDerWaalsContact OD1-CG2 3.32Å; N394-T434 WeakPolarHBondContact OD1-CG2 3.47Å; N394-T434 PolarHBondContact OD1-OG1 2.85Å; N394-F483 VanDerWaalsContact C-CD2 3.49Å; N394-F483 HydrophobicContact CB-CB 3.71Å; N394-F483 HydrophobicContact CB-CD1 4.3Å; N394-F483 HydrophobicContact CB-CD2 4.36Å; N394-F483 HydrophobicContact CB-CG 3.9Å; N394-F483 WeakPolarHBondContact O-CD2 3.28Å; N394-F483 VanDerWaalsContact O-CE2 3.24Å; N394-F483 WeakPolarHBondContact O-CE2 3.46Å
395	L	92.2	Very high	90.9	Very high	33 Å²	33	60.8 Å²	60.8	17%	0.173	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-40.4	176	-178.6	64.1	0	0	0	112.1	V392 Q393 M397 G398 L399 I482 V486	V392-L395 CarbonylContact O-C 3.53Å; V392-L395 WeakPolarHBondContact O-CA 3.47Å; V392-L395 WeakPolarHBondContact O-CB 2.89Å; V392-L395 PolarHBondContact O-N 3.38Å; Q393-L395 VanDerWaalsContact C-N 3.33Å; L395-M397 VanDerWaalsContact C-N 3.34Å; L395-M397 PolarHBondContact O-N 3.09Å; L395-G398 CarbonylContact O-C 3.58Å; L395-G398 WeakPolarHBondContact O-CA 3.42Å; L395-G398 PolarHBondContact O-N 2.94Å; L395-G398 VanDerWaalsContact O-N 3.08Å; L395-L399 HydrophobicContact CD1-CG 4.28Å; L395-L399 HydrophobicContact CG-CD1 4.08Å; L395-L399 HydrophobicContact CG-CG 4.3Å; L395-L399 WeakPolarHBondContact O-CG 3.29Å; L395-L399 PolarHBondContact O-N 2.83Å; L395-I482 HydrophobicContact CD2-CG2 4.16Å; L395-V486 HydrophobicContact CD1-CB 3.65Å; L395-V486 HydrophobicContact CD1-CG1 3.87Å; L395-V486 HydrophobicContact CD1-CG2 3.73Å
396	I	92.3	Very high	90.8	Very high	97 Å²	97	61 Å²	61	50%	0.497	30%	0.299	S	S	.	.	H	α-helix	trans	-59.2	-46.1	176.1	-69.3	167	0	0	0	110.7	V392 Q393 N394 G398 L399 F400	V392-I396 HydrophobicContact CG1-CD1 3.76Å; V392-I396 HydrophobicContact CG1-CG1 3.8Å; V392-I396 WeakPolarHBondContact O-CG1 2.79Å; V392-I396 PolarHBondContact O-N 3.3Å; Q393-I396 PolarHBondContact O-N 3.29Å; N394-I396 VanDerWaalsContact C-N 3.34Å; N394-I396 PolarHBondContact O-N 2.9Å; I396-G398 PolarHBondContact O-N 2.95Å; I396-L399 PolarHBondContact O-N 3.12Å; I396-F400 WeakPolarHBondContact O-CB 3.21Å; I396-F400 PolarHBondContact O-N 3.34Å
397	M	88.1	Confident	90.7	Very high	46 Å²	46	67.9 Å²	67.9	23%	0.227	32%	0.321	C	S	.	.	H	α-helix	trans	-60.3	-39.1	175.2	179.1	61.6	83.1	0	0	111.4	Q393 N394 L395 F400 L401 A430	Q393-M397 PolarHBondContact O-N 3.45Å; Q393-M397 VanDerWaalsContact O-N 3.15Å; N394-M397 PolarHBondContact O-N 3.2Å; L395-M397 VanDerWaalsContact C-N 3.34Å; L395-M397 PolarHBondContact O-N 3.09Å; M397-F400 WeakPolarHBondContact O-CB 3.5Å; M397-F400 PolarHBondContact O-N 2.99Å; M397-L401 WeakPolarHBondContact O-CG 3.46Å; M397-L401 PolarHBondContact O-N 3.5Å; M397-A430 HydrophobicContact CE-CB 3.46Å; M397-A430 VanDerWaalsContact CE-CB 3.46Å; M397-A430 HydrophobicContact CG-CB 3.67Å; M397-A430 HydrophobicContact SD-CB 3.93Å
398	G	89.2	Confident	90.4	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.3	-49.4	175.2	0	0	0	0	0	114.4	N394 L395 I396 F400 L401 I402 F483 C487	N394-G398 PolarHBondContact O-N 2.79Å; L395-G398 CarbonylContact O-C 3.58Å; L395-G398 WeakPolarHBondContact O-CA 3.42Å; L395-G398 PolarHBondContact O-N 2.94Å; L395-G398 VanDerWaalsContact O-N 3.08Å; I396-G398 PolarHBondContact O-N 2.95Å; G398-F400 VanDerWaalsContact C-N 3.29Å; G398-F400 PolarHBondContact O-N 3.43Å; G398-L401 PolarHBondContact O-N 3.15Å; G398-L401 VanDerWaalsContact O-N 3.14Å; G398-I402 WeakPolarHBondContact O-CD1 2.9Å; G398-I402 VanDerWaalsContact O-CG1 3.23Å; G398-I402 WeakPolarHBondContact O-CG1 3.14Å; G398-I402 PolarHBondContact O-N 3.41Å; G398-F483 VanDerWaalsContact CA-CE2 3.45Å; G398-C487 WeakPolarHBondContact CA-SG 3.45Å
399	L	92.9	Very high	90	Very high	87 Å²	87	67.2 Å²	67.2	46%	0.455	32%	0.315	S	S	.	.	H	α-helix	trans	-62.1	-38.7	176.4	-69.8	172.3	0	0	0	111.5	L395 I396 L401 I402 F403 V486	L395-L399 HydrophobicContact CD1-CG 4.28Å; L395-L399 HydrophobicContact CG-CD1 4.08Å; L395-L399 HydrophobicContact CG-CG 4.3Å; L395-L399 WeakPolarHBondContact O-CG 3.29Å; L395-L399 PolarHBondContact O-N 2.83Å; I396-L399 PolarHBondContact O-N 3.12Å; L399-L401 VanDerWaalsContact C-N 3.34Å; L399-L401 PolarHBondContact O-N 2.87Å; L399-I402 HydrophobicContact CD2-CD1 4.28Å; L399-I402 PolarHBondContact O-N 2.93Å; L399-F403 WeakPolarHBondContact O-CB 3.49Å; L399-F403 PolarHBondContact O-N 3.49Å; L399-V486 HydrophobicContact CD2-CG1 4.31Å
400	F	92.6	Very high	89.5	Confident	111 Å²	111	65.9 Å²	65.9	49%	0.487	31%	0.31	S	S	.	.	H	α-helix	trans	-58.7	-46.2	173	-177.3	-98.1	0	0	0	111	I396 M397 G398 F403 Y404	I396-F400 WeakPolarHBondContact O-CB 3.21Å; I396-F400 PolarHBondContact O-N 3.34Å; M397-F400 WeakPolarHBondContact O-CB 3.5Å; M397-F400 PolarHBondContact O-N 2.99Å; G398-F400 VanDerWaalsContact C-N 3.29Å; G398-F400 PolarHBondContact O-N 3.43Å; F400-F403 PolarHBondContact O-N 3.23Å; F400-Y404 HydrophobicContact CD2-CE2 4.05Å; F400-Y404 HydrophobicContact CE1-CD2 4.26Å; F400-Y404 HydrophobicContact CE1-CE2 4.1Å; F400-Y404 HydrophobicContact CE2-CD2 4.3Å; F400-Y404 AromaticContact CE2-CE2 3.49Å; F400-Y404 HydrophobicContact CE2-CE2 3.49Å; F400-Y404 VanDerWaalsContact CE2-CE2 3.49Å; F400-Y404 HydrophobicContact CZ-CD2 4.13Å; F400-Y404 AromaticContact CZ-CE2 3.51Å; F400-Y404 HydrophobicContact CZ-CE2 3.51Å; F400-Y404 WeakPolarHBondContact O-CD2 3.27Å; F400-Y404 PolarHBondContact O-N 2.77Å
401	L	90.8	Very high	88.9	Confident	17 Å²	17	67.5 Å²	67.5	9%	0.089	32%	0.319	C	S	.	.	H	α-helix	trans	-65.8	-43.5	176.7	-74.4	170.1	0	0	0	113.3	M397 G398 L399 F403 Y404 L405 L423 Q426 L427	M397-L401 WeakPolarHBondContact O-CG 3.46Å; M397-L401 PolarHBondContact O-N 3.5Å; G398-L401 PolarHBondContact O-N 3.15Å; G398-L401 VanDerWaalsContact O-N 3.14Å; L399-L401 VanDerWaalsContact C-N 3.34Å; L399-L401 PolarHBondContact O-N 2.87Å; L401-F403 VanDerWaalsContact C-N 3.26Å; L401-F403 PolarHBondContact O-N 3.19Å; L401-Y404 PolarHBondContact O-N 2.81Å; L401-L405 WeakPolarHBondContact O-CB 3.44Å; L401-L405 PolarHBondContact O-N 3.36Å; L401-L423 HydrophobicContact CB-CD1 4.4Å; L401-L423 HydrophobicContact CD1-CD1 4.18Å; L401-Q426 HydrophobicContact CD1-CB 4.16Å; L401-Q426 HydrophobicContact CD1-CG 3.87Å; L401-Q426 HydrophobicContact CD2-CB 3.91Å; L401-Q426 HydrophobicContact CD2-CG 3.55Å; L401-Q426 HydrophobicContact CG-CG 4.15Å; L401-L427 HydrophobicContact CD1-CD2 3.86Å; L401-L427 HydrophobicContact CD1-CG 4.3Å
402	I	92.4	Very high	88	Confident	24 Å²	24	66.3 Å²	66.3	12%	0.123	31%	0.313	C	S	.	.	H	α-helix	trans	-58.5	-41.5	177	-69.3	161.2	0	0	0	110.7	G398 L399 Y404 L406 V486 T490 L491	G398-I402 WeakPolarHBondContact O-CD1 2.9Å; G398-I402 VanDerWaalsContact O-CG1 3.23Å; G398-I402 WeakPolarHBondContact O-CG1 3.14Å; G398-I402 PolarHBondContact O-N 3.41Å; L399-I402 HydrophobicContact CD2-CD1 4.28Å; L399-I402 PolarHBondContact O-N 2.93Å; I402-Y404 VanDerWaalsContact C-N 3.32Å; I402-Y404 PolarHBondContact O-N 3.31Å; I402-L406 WeakPolarHBondContact O-CA 3.41Å; I402-L406 PolarHBondContact O-N 3.48Å; I402-V486 HydrophobicContact CD1-CG1 4.16Å; I402-T490 HydrophobicContact CD1-CG2 4.23Å; I402-T490 HydrophobicContact CG1-CG2 4.39Å; I402-T490 HydrophobicContact CG2-CG2 3.66Å; I402-L491 HydrophobicContact CB-CD2 4.49Å; I402-L491 HydrophobicContact CG1-CD1 4.41Å; I402-L491 HydrophobicContact CG1-CD2 3.94Å; I402-L491 HydrophobicContact CG1-CG 3.99Å
403	F	92.9	Very high	86.9	Confident	154 Å²	154	67.5 Å²	67.5	68%	0.675	32%	0.317	S	S	*	.	H	α-helix	trans	-60.4	-40.5	-178.7	178.5	-100.6	0	0	0	112.5	L399 F400 L401	L399-F403 WeakPolarHBondContact O-CB 3.49Å; L399-F403 PolarHBondContact O-N 3.49Å; F400-F403 PolarHBondContact O-N 3.23Å; L401-F403 VanDerWaalsContact C-N 3.26Å; L401-F403 PolarHBondContact O-N 3.19Å
404	Y	89.4	Confident	86.1	Confident	156 Å²	156	72.4 Å²	72.4	61%	0.612	34%	0.338	S	S	*	.	H	α-helix	trans	-83.9	-41.8	-179.6	-76.6	-82.6	0	0	0	113.7	F400 L401 I402	F400-Y404 HydrophobicContact CD2-CE2 4.05Å; F400-Y404 HydrophobicContact CE1-CD2 4.26Å; F400-Y404 HydrophobicContact CE1-CE2 4.1Å; F400-Y404 HydrophobicContact CE2-CD2 4.3Å; F400-Y404 AromaticContact CE2-CE2 3.49Å; F400-Y404 HydrophobicContact CE2-CE2 3.49Å; F400-Y404 VanDerWaalsContact CE2-CE2 3.49Å; F400-Y404 HydrophobicContact CZ-CD2 4.13Å; F400-Y404 AromaticContact CZ-CE2 3.51Å; F400-Y404 HydrophobicContact CZ-CE2 3.51Å; F400-Y404 WeakPolarHBondContact O-CD2 3.27Å; F400-Y404 PolarHBondContact O-N 2.77Å; L401-Y404 PolarHBondContact O-N 2.81Å; I402-Y404 VanDerWaalsContact C-N 3.32Å; I402-Y404 PolarHBondContact O-N 3.31Å
405	L	87.5	Confident	85.6	Confident	42 Å²	42	73.2 Å²	73.2	22%	0.22	35%	0.347	C	S	.	.	H	α-helix	trans	-84.8	-20.7	-174.2	-72.5	166.9	0	0	0	113.3	L401 D419 L423 L491	L401-L405 WeakPolarHBondContact O-CB 3.44Å; L401-L405 PolarHBondContact O-N 3.36Å; L405-D419 HydrophobicContact CD2-CB 4.17Å; L405-L423 HydrophobicContact CD1-CB 3.85Å; L405-L423 HydrophobicContact CD1-CD1 3.88Å; L405-L423 HydrophobicContact CD1-CG 4.41Å; L405-L491 HydrophobicContact CB-CD2 4.35Å
406	L	86.9	Confident	85.2	Confident	125 Å²	125	71.7 Å²	71.7	65%	0.654	34%	0.338	S	S	*	.			trans	50.2	-155	-168.9	-69.6	143.3	0	0	0	110.2	I402 L491	I402-L406 WeakPolarHBondContact O-CA 3.41Å; I402-L406 PolarHBondContact O-N 3.48Å; L406-L491 VanDerWaalsContact O-CD2 3.31Å; L406-L491 WeakPolarHBondContact O-CD2 3.27Å
407	R	87.2	Confident	84.9	Confident	182 Å²	182	67.9 Å²	67.9	69%	0.687	32%	0.319	S	S	*	.	S	Bend	trans	-75.6	127.3	174.3	-167	175.9	-174.2	179.4	3.1	109.9	Q409	R407-Q409 PolarHBondContact O-N 3.15Å
408	V	87.1	Confident	84.9	Confident	11 Å²	11	72.1 Å²	72.1	7%	0.067	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-63.6	133.3	-179.4	-177.9	0	0	0	0	110	D419 R420 L491	V408-D419 HydrophobicContact CG1-CB 4.46Å; V408-R420 HydrophobicContact CG1-CG 3.65Å; V408-R420 VanDerWaalsContact CG1-NH1 3.26Å; V408-L491 WeakPolarHBondContact CB-O 3.38Å; V408-L491 HydrophobicContact CG2-CB 4.29Å; V408-L491 WeakPolarHBondContact CG2-O 3.46Å; V408-L491 PolarHBondContact N-O 2.61Å
409	Q	83.8	Confident	85	Confident	90 Å²	90	74.3 Å²	74.3	42%	0.421	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-94.3	157.7	-179.6	-57.4	-169.2	16.2	0	0	111.5	R407 A416 R420	R407-Q409 PolarHBondContact O-N 3.15Å; Q409-A416 WeakPolarHBondContact O-CA 3.5Å; Q409-A416 WeakPolarHBondContact O-CB 3.43Å; Q409-R420 PolarHBondContact O-NH1 3.15Å
410	N	80.3	Confident	84.9	Confident	79 Å²	79	70.2 Å²	70.2	42%	0.422	33%	0.329	S	S	.	.			trans	-99.5	-0.8	178.1	-67.1	-15.6	0	0	0	113.4	R420 T587	N410-R420 PolarHBondContact OD1-NH2 2.88Å; N410-T587 PolarHBondContact O-N 3.24Å; N410-T587 VanDerWaalsContact O-N 3.13Å
411	N	78.1	Confident	84.8	Confident	36 Å²	36	66.1 Å²	66.1	19%	0.193	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-86.5	119.3	179.4	-169.6	-15.4	0	0	0	110.4	L413 K414 A416 T587 G589	N411-L413 VanDerWaalsContact C-N 3.27Å; N411-L413 PolarHBondContact O-N 2.98Å; N411-L413 PolarHBondContact OD1-N 3.21Å; N411-K414 HydrophobicContact CB-CB 4.36Å; N411-K414 HydrophobicContact CB-CD 4.46Å; N411-K414 HydrophobicContact CB-CG 4.37Å; N411-K414 PolarHBondContact O-N 3.15Å; N411-A416 WeakPolarHBondContact O-CB 3.37Å; N411-A416 PolarHBondContact O-N 3.13Å; N411-T587 CarbonylContact C-O 3.55Å; N411-T587 WeakPolarHBondContact CA-O 3.26Å; N411-T587 PolarHBondContact OD1-O 3.09Å; N411-G589 PolarHBondContact OD1-N 2.72Å
412	M	72.8	Confident	84.8	Confident	18 Å²	18	67.2 Å²	67.2	9%	0.089	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-55.7	-40.1	-179.8	-94.6	-65.7	-152.1	0	0	112.8	K414 G415 V417 F586 T587 M603	M412-K414 PolarHBondContact O-N 3.37Å; M412-K414 VanDerWaalsContact O-N 3.14Å; M412-G415 PolarHBondContact O-N 3.37Å; M412-G415 VanDerWaalsContact O-N 3.16Å; M412-V417 HydrophobicContact CE-CG2 3.53Å; M412-V417 HydrophobicContact SD-CB 4.4Å; M412-V417 HydrophobicContact SD-CG2 3.71Å; M412-F586 HydrophobicContact CE-CD2 4.35Å; M412-F586 HydrophobicContact CG-CB 3.87Å; M412-T587 PolarHBondContact N-O 3.37Å; M412-M603 HydrophobicContact CE-CB 3.68Å; M412-M603 WeakPolarHBondContact CE-O 3.25Å
413	L	68.9	Low	84.8	Confident	82 Å²	82	66 Å²	66	43%	0.429	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-65.9	-16.7	179.7	-74.4	160.8	0	0	0	113.4	N411	N411-L413 VanDerWaalsContact C-N 3.27Å; N411-L413 PolarHBondContact O-N 2.98Å; N411-L413 PolarHBondContact OD1-N 3.21Å
414	K	73.4	Confident	84.9	Confident	129 Å²	129	58.8 Å²	58.8	56%	0.561	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-105	13.1	179.6	-64.3	-172	176.1	-174.8	0	113.2	N411 M412	N411-K414 HydrophobicContact CB-CB 4.36Å; N411-K414 HydrophobicContact CB-CD 4.46Å; N411-K414 HydrophobicContact CB-CG 4.37Å; N411-K414 PolarHBondContact O-N 3.15Å; M412-K414 PolarHBondContact O-N 3.37Å; M412-K414 VanDerWaalsContact O-N 3.14Å
415	G	79.4	Confident	85	Confident	19 Å²	19	53.6 Å²	53.6	20%	0.196	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	16.9	174.6	0	0	0	0	0	115.6	M412 V417 Q418 D419	M412-G415 PolarHBondContact O-N 3.37Å; M412-G415 VanDerWaalsContact O-N 3.16Å; G415-V417 VanDerWaalsContact C-N 3.29Å; G415-V417 PolarHBondContact O-N 3.46Å; G415-Q418 PolarHBondContact O-N 3.49Å; G415-D419 VanDerWaalsContact O-CG 3.32Å; G415-D419 PolarHBondContact O-N 3.2Å
416	A	84.3	Confident	85.3	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-46.8	-42.4	-173.1	0	0	0	0	0	116.3	Q409 N411 R420 F586	Q409-A416 WeakPolarHBondContact O-CA 3.5Å; Q409-A416 WeakPolarHBondContact O-CB 3.43Å; N411-A416 WeakPolarHBondContact O-CB 3.37Å; N411-A416 PolarHBondContact O-N 3.13Å; A416-R420 WeakPolarHBondContact O-CG 3.46Å; A416-R420 PolarHBondContact O-NH1 3.47Å; A416-F586 HydrophobicContact CB-CD1 4.04Å; A416-F586 HydrophobicContact CB-CE1 4.37Å
417	V	86.1	Confident	85.6	Confident	17 Å²	17	49.1 Å²	49.1	10%	0.103	25%	0.245	C	C	.	.	H	α-helix	trans	-81.3	-42.9	178	176.3	0	0	0	0	111	M412 G415 D419 R420 V421 F581 F586 F609	M412-V417 HydrophobicContact CE-CG2 3.53Å; M412-V417 HydrophobicContact SD-CB 4.4Å; M412-V417 HydrophobicContact SD-CG2 3.71Å; G415-V417 VanDerWaalsContact C-N 3.29Å; G415-V417 PolarHBondContact O-N 3.46Å; V417-D419 PolarHBondContact O-N 3.15Å; V417-R420 PolarHBondContact O-N 3.34Å; V417-V421 HydrophobicContact CG1-CG2 4.14Å; V417-V421 WeakPolarHBondContact O-CB 3.21Å; V417-V421 VanDerWaalsContact O-CG2 3.27Å; V417-V421 WeakPolarHBondContact O-CG2 3.25Å; V417-V421 PolarHBondContact O-N 3.27Å; V417-F581 HydrophobicContact CG1-CE1 4.09Å; V417-F581 HydrophobicContact CG1-CZ 4.26Å; V417-F581 HydrophobicContact CG2-CE1 4.25Å; V417-F586 HydrophobicContact CG2-CD2 4.11Å; V417-F586 HydrophobicContact CG2-CE1 4.38Å; V417-F586 HydrophobicContact CG2-CE2 3.77Å; V417-F586 HydrophobicContact CG2-CZ 3.93Å; V417-F609 HydrophobicContact CG1-CD2 3.55Å; V417-F609 HydrophobicContact CG1-CE1 4.5Å; V417-F609 HydrophobicContact CG1-CE2 3.45Å; V417-F609 VanDerWaalsContact CG1-CE2 3.45Å; V417-F609 HydrophobicContact CG1-CG 4.14Å; V417-F609 HydrophobicContact CG1-CZ 3.97Å
418	Q	87.5	Confident	85.9	Confident	135 Å²	135	40.5 Å²	40.5	63%	0.631	21%	0.212	S	C	*	.	H	α-helix	trans	-63.3	-41.3	-177.5	-176.2	171.1	-21.9	0	0	112	G415 V421 G422	G415-Q418 PolarHBondContact O-N 3.49Å; Q418-V421 PolarHBondContact O-N 3.23Å; Q418-G422 PolarHBondContact O-N 3.25Å
419	D	90.2	Very high	86.1	Confident	46 Å²	46	40.5 Å²	40.5	25%	0.246	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-42.5	177.2	-65.7	-17.8	0	0	0	111.3	L405 V408 G415 V417 L423	L405-D419 HydrophobicContact CD2-CB 4.17Å; V408-D419 HydrophobicContact CG1-CB 4.46Å; G415-D419 VanDerWaalsContact O-CG 3.32Å; G415-D419 PolarHBondContact O-N 3.2Å; V417-D419 PolarHBondContact O-N 3.15Å; D419-L423 VanDerWaalsContact O-CB 3.25Å; D419-L423 WeakPolarHBondContact O-CB 3.2Å; D419-L423 PolarHBondContact O-N 3Å
420	R	91.2	Very high	86.5	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-65.1	-44	175.4	-72.9	-179.5	171.9	82.3	0.4	111.8	V408 Q409 N410 A416 V417 L423 L424 E580 F581	V408-R420 HydrophobicContact CG1-CG 3.65Å; V408-R420 VanDerWaalsContact CG1-NH1 3.26Å; Q409-R420 PolarHBondContact O-NH1 3.15Å; N410-R420 PolarHBondContact OD1-NH2 2.88Å; A416-R420 WeakPolarHBondContact O-CG 3.46Å; A416-R420 PolarHBondContact O-NH1 3.47Å; V417-R420 PolarHBondContact O-N 3.34Å; R420-L423 WeakPolarHBondContact O-CB 3.43Å; R420-L423 PolarHBondContact O-N 3.23Å; R420-L424 WeakPolarHBondContact O-CB 3.47Å; R420-L424 VanDerWaalsContact O-CG 3.29Å; R420-L424 WeakPolarHBondContact O-CG 3.18Å; R420-L424 PolarHBondContact O-N 3.41Å; R420-E580 IonicContact CZ-OE1 3.83Å; R420-E580 IonicContact NE-OE1 2.87Å; R420-E580 PolarHBondContact NE-OE1 3.2Å; R420-E580 IonicContact NH2-OE1 3.88Å; R420-F581 HydrophobicContact CB-CE2 4.36Å; R420-F581 HydrophobicContact CB-CZ 3.81Å
421	V	90.6	Very high	87.1	Confident	25 Å²	25	33 Å²	33	15%	0.152	18%	0.178	C	C	.	.	H	α-helix	trans	-63.2	-46.5	178.3	170	0	0	0	0	110.6	V417 Q418 L423 L424 Y425 F549 F581 F609	V417-V421 HydrophobicContact CG1-CG2 4.14Å; V417-V421 WeakPolarHBondContact O-CB 3.21Å; V417-V421 VanDerWaalsContact O-CG2 3.27Å; V417-V421 WeakPolarHBondContact O-CG2 3.25Å; V417-V421 PolarHBondContact O-N 3.27Å; Q418-V421 PolarHBondContact O-N 3.23Å; V421-L423 VanDerWaalsContact C-N 3.33Å; V421-L423 PolarHBondContact O-N 3.34Å; V421-L424 PolarHBondContact O-N 3.01Å; V421-Y425 WeakPolarHBondContact O-CB 3.46Å; V421-Y425 PolarHBondContact O-N 3.49Å; V421-F549 HydrophobicContact CG1-CB 3.77Å; V421-F549 HydrophobicContact CG1-CD1 3.71Å; V421-F549 HydrophobicContact CG1-CD2 4.29Å; V421-F549 HydrophobicContact CG1-CE1 4.31Å; V421-F549 HydrophobicContact CG1-CG 3.69Å; V421-F549 HydrophobicContact CG2-CD1 4.42Å; V421-F549 HydrophobicContact CG2-CE1 4.46Å; V421-F581 HydrophobicContact CG2-CZ 4.41Å; V421-F609 HydrophobicContact CG2-CE1 3.97Å; V421-F609 HydrophobicContact CG2-CE2 4.09Å; V421-F609 HydrophobicContact CG2-CZ 3.33Å
422	G	91.4	Very high	87.9	Confident	39 Å²	39	31.2 Å²	31.2	40%	0.402	17%	0.169	S	C	.	.	H	α-helix	trans	-60.6	-41.9	176	0	0	0	0	0	112.4	Q418 Q426	Q418-G422 PolarHBondContact O-N 3.25Å; G422-Q426 WeakPolarHBondContact O-CB 3.17Å; G422-Q426 PolarHBondContact O-N 2.91Å
423	L	92.9	Very high	88.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-56.5	173.7	175.2	66.4	0	0	0	111.6	L401 L405 D419 R420 V421 Y425 Q426 L427 L491 L493	L401-L423 HydrophobicContact CB-CD1 4.4Å; L401-L423 HydrophobicContact CD1-CD1 4.18Å; L405-L423 HydrophobicContact CD1-CB 3.85Å; L405-L423 HydrophobicContact CD1-CD1 3.88Å; L405-L423 HydrophobicContact CD1-CG 4.41Å; D419-L423 VanDerWaalsContact O-CB 3.25Å; D419-L423 WeakPolarHBondContact O-CB 3.2Å; D419-L423 PolarHBondContact O-N 3Å; R420-L423 WeakPolarHBondContact O-CB 3.43Å; R420-L423 PolarHBondContact O-N 3.23Å; V421-L423 VanDerWaalsContact C-N 3.33Å; V421-L423 PolarHBondContact O-N 3.34Å; L423-Y425 VanDerWaalsContact C-N 3.3Å; L423-Y425 PolarHBondContact O-N 2.82Å; L423-Q426 PolarHBondContact O-N 3.31Å; L423-L427 HydrophobicContact CD1-CD1 3.93Å; L423-L427 HydrophobicContact CD1-CD2 4.48Å; L423-L427 HydrophobicContact CD1-CG 4.09Å; L423-L427 HydrophobicContact CG-CD1 3.82Å; L423-L427 HydrophobicContact CG-CG 4.35Å; L423-L427 WeakPolarHBondContact O-CG 3.46Å; L423-L427 PolarHBondContact O-N 3.22Å; L423-L491 HydrophobicContact CD1-CD1 3.53Å; L423-L491 HydrophobicContact CD2-CD1 3.63Å; L423-L491 HydrophobicContact CG-CD1 4.2Å; L423-L493 HydrophobicContact CD2-CD1 4.21Å; L423-L493 HydrophobicContact CD2-CD2 4.15Å
424	L	93.1	Very high	89.9	Confident	1 Å²	1	31 Å²	31	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-61	-40.4	-178.5	-66.6	-176.4	0	0	0	111.5	R420 V421 L427 V428 F503 F549 L576 V577 F581	R420-L424 WeakPolarHBondContact O-CB 3.47Å; R420-L424 VanDerWaalsContact O-CG 3.29Å; R420-L424 WeakPolarHBondContact O-CG 3.18Å; R420-L424 PolarHBondContact O-N 3.41Å; V421-L424 PolarHBondContact O-N 3.01Å; L424-L427 HydrophobicContact CD2-CD1 4.3Å; L424-L427 PolarHBondContact O-N 3.26Å; L424-V428 WeakPolarHBondContact O-CG2 3.34Å; L424-V428 PolarHBondContact O-N 3.48Å; L424-F503 HydrophobicContact CD2-CE2 4.3Å; L424-F549 HydrophobicContact CB-CE2 3.97Å; L424-F549 HydrophobicContact CB-CZ 3.99Å; L424-F549 HydrophobicContact CD1-CZ 4.28Å; L424-L576 HydrophobicContact CD1-CB 4.06Å; L424-L576 HydrophobicContact CD2-CB 3.92Å; L424-L576 HydrophobicContact CD2-CD1 4.26Å; L424-L576 HydrophobicContact CD2-CD2 4.47Å; L424-L576 HydrophobicContact CD2-CG 4.46Å; L424-L576 HydrophobicContact CG-CB 4.47Å; L424-V577 HydrophobicContact CD1-CG2 4.21Å; L424-F581 HydrophobicContact CD1-CE2 4.29Å
425	Y	93.1	Very high	90.9	Very high	47 Å²	47	24.9 Å²	24.9	18%	0.184	14%	0.136	C	C	.	.	H	α-helix	trans	-56.8	-50.6	174.4	-176.1	-88.6	0	0	0	110.8	V421 L423 L427 V428 G429 L543 F549 I550	V421-Y425 WeakPolarHBondContact O-CB 3.46Å; V421-Y425 PolarHBondContact O-N 3.49Å; L423-Y425 VanDerWaalsContact C-N 3.3Å; L423-Y425 PolarHBondContact O-N 2.82Å; Y425-L427 PolarHBondContact O-N 2.95Å; Y425-V428 PolarHBondContact O-N 3.5Å; Y425-G429 PolarHBondContact O-N 2.88Å; Y425-L543 HydrophobicContact CD1-CD2 3.75Å; Y425-L543 HydrophobicContact CD2-CD1 4.2Å; Y425-L543 HydrophobicContact CD2-CD2 3.87Å; Y425-L543 HydrophobicContact CD2-CG 3.88Å; Y425-L543 HydrophobicContact CE1-CD2 3.42Å; Y425-L543 VanDerWaalsContact CE1-CD2 3.42Å; Y425-L543 HydrophobicContact CE1-CG 4.29Å; Y425-L543 HydrophobicContact CE2-CD1 4.26Å; Y425-L543 HydrophobicContact CE2-CD2 3.55Å; Y425-L543 HydrophobicContact CE2-CG 3.47Å; Y425-L543 VanDerWaalsContact CE2-CG 3.47Å; Y425-L543 HydrophobicContact CG-CD2 3.95Å; Y425-L543 HydrophobicContact CG-CG 4.43Å; Y425-L543 WeakPolarHBondContact O-CD2 3.36Å; Y425-F549 HydrophobicContact CD2-CB 4.22Å; Y425-F549 AromaticContact CD2-CD2 3.96Å; Y425-F549 HydrophobicContact CD2-CD2 3.96Å; Y425-F549 HydrophobicContact CG-CD2 4.45Å; Y425-I550 HydrophobicContact CD2-CD1 4.37Å; Y425-I550 HydrophobicContact CD2-CG1 4.44Å; Y425-I550 HydrophobicContact CE1-CD1 4.39Å; Y425-I550 HydrophobicContact CE2-CD1 3.42Å; Y425-I550 VanDerWaalsContact CE2-CD1 3.42Å; Y425-I550 HydrophobicContact CE2-CG1 3.87Å; Y425-I550 VanDerWaalsContact CZ-CD1 3.45Å; Y425-I550 VanDerWaalsContact OH-CD1 3.27Å; Y425-I550 WeakPolarHBondContact OH-CD1 3.46Å
426	Q	93.2	Very high	91.6	Very high	73 Å²	73	24 Å²	24	34%	0.341	13%	0.127	S	C	.	.	H	α-helix	trans	-66.9	-38.4	-179.4	-168.8	64.7	16	0	0	112.4	L401 G422 L423 G429 A430	L401-Q426 HydrophobicContact CD1-CB 4.16Å; L401-Q426 HydrophobicContact CD1-CG 3.87Å; L401-Q426 HydrophobicContact CD2-CB 3.91Å; L401-Q426 HydrophobicContact CD2-CG 3.55Å; L401-Q426 HydrophobicContact CG-CG 4.15Å; G422-Q426 WeakPolarHBondContact O-CB 3.17Å; G422-Q426 PolarHBondContact O-N 2.91Å; L423-Q426 PolarHBondContact O-N 3.31Å; Q426-G429 PolarHBondContact O-N 3.18Å; Q426-A430 WeakPolarHBondContact O-CB 3.47Å; Q426-A430 PolarHBondContact O-N 2.77Å
427	L	93.1	Very high	92	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-62.5	-45	178	-68	171.2	0	0	0	111.9	L401 L423 L424 Y425 T431 F483 F503 L507	L401-L427 HydrophobicContact CD1-CD2 3.86Å; L401-L427 HydrophobicContact CD1-CG 4.3Å; L423-L427 HydrophobicContact CD1-CD1 3.93Å; L423-L427 HydrophobicContact CD1-CD2 4.48Å; L423-L427 HydrophobicContact CD1-CG 4.09Å; L423-L427 HydrophobicContact CG-CD1 3.82Å; L423-L427 HydrophobicContact CG-CG 4.35Å; L423-L427 WeakPolarHBondContact O-CG 3.46Å; L423-L427 PolarHBondContact O-N 3.22Å; L424-L427 HydrophobicContact CD2-CD1 4.3Å; L424-L427 PolarHBondContact O-N 3.26Å; Y425-L427 PolarHBondContact O-N 2.95Å; L427-T431 WeakPolarHBondContact O-CB 3.25Å; L427-T431 VanDerWaalsContact O-CG2 3.26Å; L427-T431 WeakPolarHBondContact O-CG2 3.36Å; L427-T431 PolarHBondContact O-N 2.84Å; L427-T431 PolarHBondContact O-OG1 3.09Å; L427-F483 HydrophobicContact CD2-CE1 4.16Å; L427-F483 HydrophobicContact CD2-CE2 4.13Å; L427-F483 HydrophobicContact CD2-CZ 3.35Å; L427-F503 HydrophobicContact CD1-CE2 3.79Å; L427-F503 HydrophobicContact CD1-CZ 3.59Å; L427-L507 HydrophobicContact CB-CD1 4.48Å; L427-L507 HydrophobicContact CB-CD2 3.95Å; L427-L507 HydrophobicContact CD1-CD1 4.37Å; L427-L507 HydrophobicContact CD2-CD1 4.48Å
428	V	93.3	Very high	92.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-70.7	-32.1	178.7	179.4	0	0	0	0	112	L424 Y425 P432 L543 Q569 C572 L576	L424-V428 WeakPolarHBondContact O-CG2 3.34Å; L424-V428 PolarHBondContact O-N 3.48Å; Y425-V428 PolarHBondContact O-N 3.5Å; V428-P432 WeakPolarHBondContact O-CD 3.11Å; V428-P432 WeakPolarHBondContact O-CG 3.42Å; V428-L543 HydrophobicContact CB-CD1 3.91Å; V428-L543 HydrophobicContact CG1-CD1 3.77Å; V428-Q569 HydrophobicContact CG1-CB 4.12Å; V428-Q569 HydrophobicContact CG1-CG 4.04Å; V428-C572 HydrophobicContact CG1-CB 4.21Å; V428-C572 HydrophobicContact CG2-CB 4.43Å; V428-L576 HydrophobicContact CG2-CD1 3.36Å
429	G	91.3	Very high	92.6	Very high	12 Å²	12	19.4 Å²	19.4	12%	0.124	11%	0.106	C	C	.	.	H	α-helix	trans	-75.1	-37.5	175.5	0	0	0	0	0	114.4	Y425 Q426 P432	Y425-G429 PolarHBondContact O-N 2.88Å; Q426-G429 PolarHBondContact O-N 3.18Å; G429-P432 WeakPolarHBondContact O-CD 3.4Å; G429-P432 WeakPolarHBondContact O-CG 3.44Å
430	A	91.6	Very high	92.8	Very high	5 Å²	5	17.9 Å²	17.9	4%	0.041	10%	0.098	C	C	.	.	H	α-helix	trans	-83.6	-36.1	-172.8	0	0	0	0	0	113.9	M397 Q426 Y433 T434	M397-A430 HydrophobicContact CE-CB 3.46Å; M397-A430 VanDerWaalsContact CE-CB 3.46Å; M397-A430 HydrophobicContact CG-CB 3.67Å; M397-A430 HydrophobicContact SD-CB 3.93Å; Q426-A430 WeakPolarHBondContact O-CB 3.47Å; Q426-A430 PolarHBondContact O-N 2.77Å; A430-Y433 WeakPolarHBondContact O-CA 3.49Å; A430-Y433 VanDerWaalsContact O-CB 3.28Å; A430-Y433 WeakPolarHBondContact O-CB 3.23Å; A430-Y433 PolarHBondContact O-N 3.15Å; A430-Y433 VanDerWaalsContact O-N 3.08Å; A430-T434 PolarHBondContact O-N 3.03Å
431	T	93.2	Very high	92.7	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.031	13%	0.13	C	C	.	.	H	α-helix	trans	-59.1	-42.5	-179.3	44.2	0	0	0	0	114.6	L427 Y433 T434 G435 F483 L507 P510 H511	L427-T431 WeakPolarHBondContact O-CB 3.25Å; L427-T431 VanDerWaalsContact O-CG2 3.26Å; L427-T431 WeakPolarHBondContact O-CG2 3.36Å; L427-T431 PolarHBondContact O-N 2.84Å; L427-T431 PolarHBondContact O-OG1 3.09Å; T431-Y433 VanDerWaalsContact C-N 3.29Å; T431-Y433 PolarHBondContact O-N 2.82Å; T431-T434 PolarHBondContact O-N 2.96Å; T431-T434 PolarHBondContact O-OG1 3.34Å; T431-G435 PolarHBondContact O-N 3.22Å; T431-F483 HydrophobicContact CG2-CE1 4.13Å; T431-L507 HydrophobicContact CG2-CB 4.3Å; T431-L507 HydrophobicContact CG2-CD2 4.34Å; T431-P510 WeakPolarHBondContact OG1-CB 3.08Å; T431-H511 VanDerWaalsContact O-CA 3.3Å; T431-H511 WeakPolarHBondContact O-CA 2.94Å; T431-H511 PolarHBondContact O-ND1 3.45Å; T431-H511 VanDerWaalsContact O-ND1 3.11Å
432	P	94.6	Very high	92.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.8	-30.4	172.7	26.6	-34	0	0	0	112.4	V428 G429 G435 M436 P510 G514 F568	V428-P432 WeakPolarHBondContact O-CD 3.11Å; V428-P432 WeakPolarHBondContact O-CG 3.42Å; G429-P432 WeakPolarHBondContact O-CD 3.4Å; G429-P432 WeakPolarHBondContact O-CG 3.44Å; P432-G435 PolarHBondContact O-N 2.57Å; P432-M436 PolarHBondContact O-N 2.85Å; P432-P510 VanDerWaalsContact CA-O 3.25Å; P432-P510 WeakPolarHBondContact CA-O 3.39Å; P432-P510 WeakPolarHBondContact CB-O 3.46Å; P432-G514 WeakPolarHBondContact O-CA 3.04Å; P432-F568 HydrophobicContact CB-CE2 4.34Å; P432-F568 HydrophobicContact CB-CZ 4.06Å; P432-F568 HydrophobicContact CG-CE2 4.28Å; P432-F568 HydrophobicContact CG-CZ 4.22Å
433	Y	92.8	Very high	92.8	Very high	88 Å²	88	21.6 Å²	21.6	35%	0.345	11%	0.108	S	C	.	.	H	α-helix	trans	-64.6	-41	177	-172.3	-91.2	0	0	0	111.9	A430 T431 G435 M436 L437 A536	A430-Y433 WeakPolarHBondContact O-CA 3.49Å; A430-Y433 VanDerWaalsContact O-CB 3.28Å; A430-Y433 WeakPolarHBondContact O-CB 3.23Å; A430-Y433 PolarHBondContact O-N 3.15Å; A430-Y433 VanDerWaalsContact O-N 3.08Å; T431-Y433 VanDerWaalsContact C-N 3.29Å; T431-Y433 PolarHBondContact O-N 2.82Å; Y433-G435 VanDerWaalsContact C-N 3.33Å; Y433-M436 HydrophobicContact CD1-CE 4.31Å; Y433-M436 HydrophobicContact CD2-CE 3.33Å; Y433-M436 HydrophobicContact CE1-CE 4.25Å; Y433-M436 HydrophobicContact CE2-CE 3.24Å; Y433-M436 HydrophobicContact CG-CE 3.87Å; Y433-M436 WeakPolarHBondContact O-CB 3.46Å; Y433-M436 PolarHBondContact O-N 2.91Å; Y433-L437 HydrophobicContact CD1-CD1 3.88Å; Y433-L437 HydrophobicContact CD1-CG 4.13Å; Y433-L437 HydrophobicContact CE1-CD1 3.59Å; Y433-L437 HydrophobicContact CE1-CD2 4.23Å; Y433-L437 HydrophobicContact CE1-CG 3.87Å; Y433-L437 WeakPolarHBondContact O-CG 3.31Å; Y433-L437 PolarHBondContact O-N 2.92Å; Y433-A536 HydrophobicContact CD2-CB 4.12Å; Y433-A536 HydrophobicContact CE2-CB 3.88Å
434	T	92.6	Very high	92.8	Very high	7 Å²	7	22.9 Å²	22.9	4%	0.043	12%	0.117	C	C	.	.	H	α-helix	trans	-68.4	-33.5	174.8	56.2	0	0	0	0	112.2	Q393 N394 A430 T431 L437 N438 H511	Q393-T434 HydrophobicContact CG-CG2 4.16Å; Q393-T434 PolarHBondContact NE2-O 3.39Å; N394-T434 WeakPolarHBondContact OD1-CB 3.44Å; N394-T434 VanDerWaalsContact OD1-CG2 3.32Å; N394-T434 WeakPolarHBondContact OD1-CG2 3.47Å; N394-T434 PolarHBondContact OD1-OG1 2.85Å; A430-T434 PolarHBondContact O-N 3.03Å; T431-T434 PolarHBondContact O-N 2.96Å; T431-T434 PolarHBondContact O-OG1 3.34Å; T434-L437 PolarHBondContact O-N 3.48Å; T434-N438 PolarHBondContact O-N 3.3Å; T434-N438 VanDerWaalsContact O-N 3.08Å; T434-H511 PolarHBondContact OG1-CE1 3.39Å; T434-H511 VanDerWaalsContact OG1-CE1 3.27Å; T434-H511 PolarHBondContact OG1-ND1 2.85Å
435	G	93.7	Very high	92.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.7	-43.9	170.4	0	0	0	0	0	112.5	T431 P432 Y433 N438 A439 H511 E515	T431-G435 PolarHBondContact O-N 3.22Å; P432-G435 PolarHBondContact O-N 2.57Å; Y433-G435 VanDerWaalsContact C-N 3.33Å; G435-N438 WeakPolarHBondContact O-CB 3.26Å; G435-N438 PolarHBondContact O-N 2.98Å; G435-A439 PolarHBondContact O-N 3.38Å; G435-H511 WeakPolarHBondContact CA-O 3.27Å; G435-H511 PolarHBondContact N-CE1 3.18Å; G435-H511 PolarHBondContact N-ND1 2.95Å; G435-E515 VanDerWaalsContact O-CA 3.26Å; G435-E515 WeakPolarHBondContact O-CA 3.43Å; G435-E515 WeakPolarHBondContact O-CB 3.46Å; G435-E515 WeakPolarHBondContact O-CG 3.42Å
436	M	94.3	Very high	92.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.7	-48.2	174.1	172.3	-162.5	70.5	0	0	111.8	P432 Y433 N438 A439 V440 T518 N532 V535 A536	P432-M436 PolarHBondContact O-N 2.85Å; Y433-M436 HydrophobicContact CD1-CE 4.31Å; Y433-M436 HydrophobicContact CD2-CE 3.33Å; Y433-M436 HydrophobicContact CE1-CE 4.25Å; Y433-M436 HydrophobicContact CE2-CE 3.24Å; Y433-M436 HydrophobicContact CG-CE 3.87Å; Y433-M436 WeakPolarHBondContact O-CB 3.46Å; Y433-M436 PolarHBondContact O-N 2.91Å; M436-N438 PolarHBondContact O-N 2.74Å; M436-A439 PolarHBondContact O-N 3.01Å; M436-A439 VanDerWaalsContact O-N 3.12Å; M436-V440 HydrophobicContact CG-CG2 4.02Å; M436-V440 WeakPolarHBondContact O-CG2 3.48Å; M436-V440 PolarHBondContact O-N 3.3Å; M436-T518 WeakPolarHBondContact CA-OG1 3.39Å; M436-T518 WeakPolarHBondContact CB-OG1 3.4Å; M436-T518 HydrophobicContact CG-CG2 4.32Å; M436-T518 VanDerWaalsContact CG-OG1 3.31Å; M436-T518 WeakPolarHBondContact CG-OG1 3.38Å; M436-N532 WeakPolarHBondContact CE-OD1 3.28Å; M436-N532 PolarHBondContact SD-OD1 3.24Å; M436-V535 HydrophobicContact CB-CG1 3.78Å; M436-V535 HydrophobicContact CG-CB 3.9Å; M436-V535 HydrophobicContact CG-CG1 3.73Å; M436-V535 HydrophobicContact SD-CB 3.55Å; M436-V535 VanDerWaalsContact SD-CB 3.55Å; M436-V535 HydrophobicContact SD-CG1 3.67Å; M436-A536 HydrophobicContact CE-CB 4.42Å; M436-A536 HydrophobicContact SD-CB 4.26Å
437	L	92.9	Very high	92.7	Very high	48 Å²	48	21.3 Å²	21.3	25%	0.251	11%	0.11	S	C	.	.	H	α-helix	trans	-57	-37.5	177.9	-74.6	178.4	0	0	0	112.2	Y433 T434 N441	Y433-L437 HydrophobicContact CD1-CD1 3.88Å; Y433-L437 HydrophobicContact CD1-CG 4.13Å; Y433-L437 HydrophobicContact CE1-CD1 3.59Å; Y433-L437 HydrophobicContact CE1-CD2 4.23Å; Y433-L437 HydrophobicContact CE1-CG 3.87Å; Y433-L437 WeakPolarHBondContact O-CG 3.31Å; Y433-L437 PolarHBondContact O-N 2.92Å; T434-L437 PolarHBondContact O-N 3.48Å; L437-N441 WeakPolarHBondContact O-CB 3.3Å; L437-N441 PolarHBondContact O-N 3.16Å; L437-N441 PolarHBondContact O-ND2 3.16Å
438	N	92.7	Very high	92.5	Very high	9 Å²	9	23.1 Å²	23.1	5%	0.048	13%	0.125	C	C	.	.	H	α-helix	trans	-60.7	-50.9	174.4	-82.8	-8.9	0	0	0	112.2	R390 Q393 T434 G435 M436 L442 H511 E515	R390-N438 WeakPolarHBondContact CG-OD1 3.47Å; Q393-N438 PolarHBondContact NE2-ND2 2.82Å; Q393-N438 VanDerWaalsContact NE2-ND2 3.16Å; Q393-N438 PolarHBondContact NE2-OD1 2.61Å; T434-N438 PolarHBondContact O-N 3.3Å; T434-N438 VanDerWaalsContact O-N 3.08Å; G435-N438 WeakPolarHBondContact O-CB 3.26Å; G435-N438 PolarHBondContact O-N 2.98Å; M436-N438 PolarHBondContact O-N 2.74Å; N438-L442 WeakPolarHBondContact O-CB 3.47Å; N438-L442 PolarHBondContact O-N 2.74Å; N438-H511 PolarHBondContact ND2-NE2 3.21Å; N438-E515 HydrophobicContact CB-CG 4.43Å
439	A	94.1	Very high	92.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-69.9	-44.8	-178.4	0	0	0	0	0	113.2	G435 M436 N441 L442 F443 Y468 E515 T518 L519	G435-A439 PolarHBondContact O-N 3.38Å; M436-A439 PolarHBondContact O-N 3.01Å; M436-A439 VanDerWaalsContact O-N 3.12Å; A439-N441 VanDerWaalsContact C-N 3.31Å; A439-N441 PolarHBondContact O-N 2.73Å; A439-L442 PolarHBondContact O-N 3.05Å; A439-F443 WeakPolarHBondContact O-CB 2.86Å; A439-F443 PolarHBondContact O-N 3.28Å; A439-Y468 WeakPolarHBondContact CA-OH 3.38Å; A439-E515 HydrophobicContact CB-CG 3.88Å; A439-T518 HydrophobicContact CB-CG2 3.53Å; A439-L519 HydrophobicContact CB-CD2 4.05Å; A439-L519 HydrophobicContact CB-CG 4.25Å
440	V	93	Very high	92.6	Very high	13 Å²	13	22.6 Å²	22.6	8%	0.079	12%	0.12	C	C	.	.	H	α-helix	trans	-62.3	-37.4	-177.5	172.9	0	0	0	0	111.9	M436 P444 T518 P528 N532	M436-V440 HydrophobicContact CG-CG2 4.02Å; M436-V440 WeakPolarHBondContact O-CG2 3.48Å; M436-V440 PolarHBondContact O-N 3.3Å; V440-P444 WeakPolarHBondContact O-CD 3.47Å; V440-P444 WeakPolarHBondContact O-CG 3.43Å; V440-T518 HydrophobicContact CG2-CG2 3.41Å; V440-T518 VanDerWaalsContact CG2-CG2 3.41Å; V440-P528 HydrophobicContact CG1-CB 4.05Å; V440-N532 HydrophobicContact CG1-CB 4.41Å; V440-N532 HydrophobicContact CG2-CB 4.22Å
441	N	89.6	Confident	92.5	Very high	127 Å²	127	23.7 Å²	23.7	68%	0.679	13%	0.125	S	C	*	.	H	α-helix	trans	-81	-30.8	-176.7	-72.4	-53.6	0	0	0	113.4	L437 A439	L437-N441 WeakPolarHBondContact O-CB 3.3Å; L437-N441 PolarHBondContact O-N 3.16Å; L437-N441 PolarHBondContact O-ND2 3.16Å; A439-N441 VanDerWaalsContact C-N 3.31Å; A439-N441 PolarHBondContact O-N 2.73Å
442	L	90.3	Very high	92.2	Very high	16 Å²	16	24.5 Å²	24.5	8%	0.084	13%	0.129	C	C	.	.	H	α-helix	trans	-99.3	-42.3	-173.1	-174.9	58.2	0	0	0	113.1	L380 V386 N438 A439 L446 Y468	L380-L442 HydrophobicContact CD1-CD1 4.36Å; L380-L442 HydrophobicContact CD1-CD2 3.74Å; L380-L442 HydrophobicContact CD2-CD2 4.45Å; V386-L442 HydrophobicContact CG1-CD1 4.29Å; V386-L442 HydrophobicContact CG1-CD2 4.42Å; N438-L442 WeakPolarHBondContact O-CB 3.47Å; N438-L442 PolarHBondContact O-N 2.74Å; A439-L442 PolarHBondContact O-N 3.05Å; L442-L446 HydrophobicContact CD1-CD1 4.43Å; L442-Y468 HydrophobicContact CB-CE2 4.25Å; L442-Y468 HydrophobicContact CD2-CE2 3.79Å; L442-Y468 HydrophobicContact CG-CE2 4Å
443	F	93.6	Very high	92	Very high	1 Å²	1	25 Å²	25	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-71.8	-30.6	-168.8	-167.4	-100.3	0	0	0	115.5	A439 M445 L446 R447 L465 Y468 L519 L522 F643	A439-F443 WeakPolarHBondContact O-CB 2.86Å; A439-F443 PolarHBondContact O-N 3.28Å; F443-M445 VanDerWaalsContact C-N 3.29Å; F443-M445 PolarHBondContact O-N 2.83Å; F443-L446 PolarHBondContact O-N 2.93Å; F443-L446 VanDerWaalsContact O-N 3.15Å; F443-R447 HydrophobicContact CD1-CB 4.02Å; F443-R447 HydrophobicContact CE1-CB 3.74Å; F443-R447 HydrophobicContact CE1-CG 4.09Å; F443-R447 HydrophobicContact CZ-CB 4.41Å; F443-R447 WeakPolarHBondContact O-CB 3.31Å; F443-R447 PolarHBondContact O-N 3.45Å; F443-L465 HydrophobicContact CE2-CD1 4.13Å; F443-L465 HydrophobicContact CZ-CD1 3.9Å; F443-Y468 HydrophobicContact CB-CE2 4.22Å; F443-Y468 HydrophobicContact CD2-CD1 4.27Å; F443-Y468 AromaticContact CD2-CD2 3.61Å; F443-Y468 HydrophobicContact CD2-CD2 3.61Å; F443-Y468 HydrophobicContact CD2-CE2 4.11Å; F443-Y468 AromaticContact CD2-CG 3.69Å; F443-Y468 HydrophobicContact CD2-CG 3.69Å; F443-Y468 HydrophobicContact CE2-CD2 4.38Å; F443-Y468 HydrophobicContact CE2-CG 4.1Å; F443-L519 HydrophobicContact CB-CD2 3.68Å; F443-L519 HydrophobicContact CD1-CD2 3.73Å; F443-L519 HydrophobicContact CD2-CD2 3.36Å; F443-L519 HydrophobicContact CE1-CD2 4.2Å; F443-L519 HydrophobicContact CE2-CD2 3.85Å; F443-L519 HydrophobicContact CG-CD2 3.27Å; F443-L519 HydrophobicContact CZ-CD2 4.24Å; F443-L522 HydrophobicContact CB-CD1 4.04Å; F443-L522 HydrophobicContact CD1-CB 4.13Å; F443-L522 HydrophobicContact CD1-CD1 3.91Å; F443-L522 HydrophobicContact CE1-CB 4.5Å; F443-L522 HydrophobicContact CG-CD1 4.41Å; F443-F643 AromaticContact CE1-CE1 3.88Å; F443-F643 HydrophobicContact CE1-CE1 3.88Å; F443-F643 HydrophobicContact CE1-CE2 4.47Å; F443-F643 AromaticContact CE1-CZ 3.45Å; F443-F643 HydrophobicContact CE1-CZ 3.45Å; F443-F643 VanDerWaalsContact CE1-CZ 3.45Å; F443-F643 AromaticContact CZ-CE1 3.83Å; F443-F643 HydrophobicContact CZ-CE1 3.83Å; F443-F643 HydrophobicContact CZ-CE2 4.48Å; F443-F643 AromaticContact CZ-CZ 3.62Å; F443-F643 HydrophobicContact CZ-CZ 3.62Å
444	P	92.7	Very high	91.8	Very high	28 Å²	28	21.8 Å²	21.8	18%	0.182	12%	0.121	C	C	.	.	H	α-helix	trans	-57.1	-38.3	-179.3	-29	36.7	0	0	0	114.4	V440 R447 A448 P528	V440-P444 WeakPolarHBondContact O-CD 3.47Å; V440-P444 WeakPolarHBondContact O-CG 3.43Å; P444-R447 PolarHBondContact O-N 3.39Å; P444-A448 WeakPolarHBondContact O-CB 3.3Å; P444-A448 PolarHBondContact O-N 3.38Å; P444-P528 HydrophobicContact CB-CG 4.02Å; P444-P528 HydrophobicContact CG-CB 4Å; P444-P528 HydrophobicContact CG-CG 3.69Å
445	M	90.6	Very high	91.4	Very high	63 Å²	63	24.6 Å²	24.6	31%	0.31	13%	0.134	S	C	.	.	H	α-helix	trans	-65	-49.3	175.7	-176.6	-143.5	-79.1	0	0	110.8	L140 S141 F443 R447 A448 V449	L140-M445 HydrophobicContact CD2-CG 4.42Å; L140-M445 HydrophobicContact CD2-SD 3.53Å; L140-M445 VanDerWaalsContact CD2-SD 3.53Å; S141-M445 WeakPolarHBondContact OG-CE 3.23Å; F443-M445 VanDerWaalsContact C-N 3.29Å; F443-M445 PolarHBondContact O-N 2.83Å; M445-R447 VanDerWaalsContact C-N 3.27Å; M445-R447 PolarHBondContact O-N 3.36Å; M445-A448 PolarHBondContact O-N 3.4Å; M445-V449 WeakPolarHBondContact O-CG2 3.39Å; M445-V449 PolarHBondContact O-N 3.33Å
446	L	93.7	Very high	90.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.1	-37.2	178.6	-84.4	70	0	0	0	111.7	L140 V376 L442 F443 S450 M464 Y468	L140-L446 HydrophobicContact CD2-CD1 4.09Å; L140-L446 HydrophobicContact CD2-CG 4.31Å; V376-L446 HydrophobicContact CB-CD2 4.41Å; V376-L446 HydrophobicContact CG1-CD2 3.74Å; V376-L446 HydrophobicContact CG2-CD2 3.78Å; L442-L446 HydrophobicContact CD1-CD1 4.43Å; F443-L446 PolarHBondContact O-N 2.93Å; F443-L446 VanDerWaalsContact O-N 3.15Å; L446-S450 WeakPolarHBondContact O-CB 3.5Å; L446-S450 PolarHBondContact O-N 2.94Å; L446-M464 HydrophobicContact CB-CG 4.31Å; L446-M464 HydrophobicContact CB-SD 4.19Å; L446-M464 HydrophobicContact CD2-SD 4Å; L446-M464 HydrophobicContact CG-SD 4.22Å; L446-Y468 HydrophobicContact CD2-CD2 4.07Å
447	R	92.6	Very high	90.3	Very high	24 Å²	24	27.3 Å²	27.3	9%	0.091	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-46	175.3	-173.7	-175.5	70.4	171.9	-3.4	111.4	F443 P444 M445 S450 D451 L522 V525 Q526 F643	F443-R447 HydrophobicContact CD1-CB 4.02Å; F443-R447 HydrophobicContact CE1-CB 3.74Å; F443-R447 HydrophobicContact CE1-CG 4.09Å; F443-R447 HydrophobicContact CZ-CB 4.41Å; F443-R447 WeakPolarHBondContact O-CB 3.31Å; F443-R447 PolarHBondContact O-N 3.45Å; P444-R447 PolarHBondContact O-N 3.39Å; M445-R447 VanDerWaalsContact C-N 3.27Å; M445-R447 PolarHBondContact O-N 3.36Å; R447-S450 CarbonylContact O-C 3.41Å; R447-S450 WeakPolarHBondContact O-CB 3.38Å; R447-S450 PolarHBondContact O-N 3.5Å; R447-D451 PolarHBondContact O-N 3.29Å; R447-L522 WeakPolarHBondContact CD-O 3.31Å; R447-L522 PolarHBondContact NH1-O 2.92Å; R447-V525 PolarHBondContact NH1-O 3.33Å; R447-Q526 PolarHBondContact NH1-O 3.23Å; R447-Q526 PolarHBondContact NH2-O 3.14Å; R447-F643 HydrophobicContact CG-CE1 4.28Å
448	A	90.4	Very high	90.1	Very high	39 Å²	39	25.3 Å²	25.3	32%	0.322	15%	0.148	S	C	.	.	H	α-helix	trans	-63.3	-45.9	178.6	0	0	0	0	0	111.7	V138 P444 M445 S450 D451 Q452	V138-A448 HydrophobicContact CG1-CB 4.19Å; P444-A448 WeakPolarHBondContact O-CB 3.3Å; P444-A448 PolarHBondContact O-N 3.38Å; M445-A448 PolarHBondContact O-N 3.4Å; A448-S450 VanDerWaalsContact C-N 3.3Å; A448-S450 PolarHBondContact O-N 3.05Å; A448-D451 PolarHBondContact O-N 2.9Å; A448-Q452 PolarHBondContact O-N 3.33Å; A448-Q452 VanDerWaalsContact O-N 3.12Å
449	V	92.9	Very high	90	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.6	-42.6	173.2	174.4	0	0	0	0	110.7	V138 L140 M445 D451 Q452 E453	V138-V449 HydrophobicContact CB-CG2 4.4Å; V138-V449 HydrophobicContact CG1-CG2 3.67Å; L140-V449 HydrophobicContact CD2-CG2 4.08Å; L140-V449 HydrophobicContact CG-CG2 4.48Å; M445-V449 WeakPolarHBondContact O-CG2 3.39Å; M445-V449 PolarHBondContact O-N 3.33Å; V449-D451 VanDerWaalsContact C-N 3.35Å; V449-D451 PolarHBondContact O-N 2.96Å; V449-Q452 PolarHBondContact O-N 3.43Å; V449-E453 HydrophobicContact CG1-CG 4.04Å; V449-E453 WeakPolarHBondContact CG1-OE1 3.42Å; V449-E453 WeakPolarHBondContact O-CB 3.15Å; V449-E453 WeakPolarHBondContact O-CG 3.36Å; V449-E453 PolarHBondContact O-N 3.49Å
450	S	93.1	Very high	89.8	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.014	17%	0.168	C	C	.	.	H	α-helix	trans	-65.5	-34.7	176.5	-174.4	0	0	0	0	113.6	L446 R447 A448 Q452 S454 M464	L446-S450 WeakPolarHBondContact O-CB 3.5Å; L446-S450 PolarHBondContact O-N 2.94Å; R447-S450 CarbonylContact O-C 3.41Å; R447-S450 WeakPolarHBondContact O-CB 3.38Å; R447-S450 PolarHBondContact O-N 3.5Å; A448-S450 VanDerWaalsContact C-N 3.3Å; A448-S450 PolarHBondContact O-N 3.05Å; S450-Q452 VanDerWaalsContact C-N 3.33Å; S450-S454 WeakPolarHBondContact O-CB 3.22Å; S450-S454 PolarHBondContact O-N 2.82Å; S450-S454 VanDerWaalsContact O-N 3.16Å; S450-M464 WeakPolarHBondContact OG-CB 3.29Å
451	D	89.2	Confident	89.8	Confident	28 Å²	28	29.4 Å²	29.4	15%	0.15	17%	0.165	C	C	.	.	H	α-helix	trans	-65.6	-40.7	176.3	-77.8	-42.2	0	0	0	110.3	R447 A448 V449 Q455 K461 R646 I650	R447-D451 PolarHBondContact O-N 3.29Å; A448-D451 PolarHBondContact O-N 2.9Å; V449-D451 VanDerWaalsContact C-N 3.35Å; V449-D451 PolarHBondContact O-N 2.96Å; D451-Q455 WeakPolarHBondContact O-CG 3.43Å; D451-K461 WeakPolarHBondContact OD1-CD 3.31Å; D451-K461 VanDerWaalsContact OD1-CE 3.25Å; D451-K461 WeakPolarHBondContact OD1-CE 3.33Å; D451-K461 IonicContact OD1-NZ 3.01Å; D451-K461 PolarHBondContact OD1-NZ 3.45Å; D451-R646 IonicContact OD1-CZ 2.74Å; D451-R646 IonicContact OD1-NE 3.24Å; D451-R646 PolarHBondContact OD1-NE 3.42Å; D451-R646 IonicContact OD1-NH2 2.82Å; D451-R646 IonicContact OD2-CZ 3.82Å; D451-R646 IonicContact OD2-NE 2.83Å; D451-R646 IonicContact OD2-NH2 3.29Å; D451-R646 PolarHBondContact OD2-NH2 3.44Å; D451-I650 WeakPolarHBondContact OD1-CD1 3.44Å
452	Q	88	Confident	90	Very high	22 Å²	22	24.6 Å²	24.6	10%	0.103	14%	0.138	C	C	.	.	H	α-helix	trans	-70.9	-58.7	176.7	169.7	160.3	21.8	0	0	112.6	L134 S136 V138 A448 V449 S450 S454 Q455 D456	L134-Q452 HydrophobicContact CD1-CB 4.22Å; L134-Q452 HydrophobicContact CD1-CG 3.64Å; S136-Q452 PolarHBondContact O-NE2 3.28Å; V138-Q452 VanDerWaalsContact CB-OE1 3.27Å; V138-Q452 VanDerWaalsContact N-OE1 3.15Å; A448-Q452 PolarHBondContact O-N 3.33Å; A448-Q452 VanDerWaalsContact O-N 3.12Å; V449-Q452 PolarHBondContact O-N 3.43Å; S450-Q452 VanDerWaalsContact C-N 3.33Å; Q452-S454 PolarHBondContact O-N 2.9Å; Q452-Q455 WeakPolarHBondContact O-CB 3.4Å; Q452-Q455 PolarHBondContact O-N 2.89Å; Q452-D456 PolarHBondContact O-N 3.1Å
453	E	90.4	Very high	90.2	Very high	11 Å²	11	24.2 Å²	24.2	5%	0.051	14%	0.136	C	C	.	.	H	α-helix	trans	-64.9	-26.6	-174.5	-70.7	-173.6	-164.7	0	0	112.8	R375 V449 D456 L458 Y459	R375-E453 IonicContact CZ-OE1 3.89Å; R375-E453 VanDerWaalsContact CZ-OE1 3.3Å; R375-E453 IonicContact CZ-OE2 3.65Å; R375-E453 VanDerWaalsContact NH1-CD 3.26Å; R375-E453 IonicContact NH1-OE1 3.69Å; R375-E453 PolarHBondContact NH1-OE1 3.16Å; R375-E453 IonicContact NH1-OE2 3.76Å; R375-E453 PolarHBondContact NH1-OE2 3.25Å; R375-E453 IonicContact NH2-OE1 3.19Å; R375-E453 PolarHBondContact NH2-OE1 3.07Å; R375-E453 IonicContact NH2-OE2 3.32Å; V449-E453 HydrophobicContact CG1-CG 4.04Å; V449-E453 WeakPolarHBondContact CG1-OE1 3.42Å; V449-E453 WeakPolarHBondContact O-CB 3.15Å; V449-E453 WeakPolarHBondContact O-CG 3.36Å; V449-E453 PolarHBondContact O-N 3.49Å; E453-D456 PolarHBondContact O-N 3.38Å; E453-L458 HydrophobicContact CB-CD1 3.82Å; E453-L458 HydrophobicContact CG-CD1 4.02Å; E453-L458 WeakPolarHBondContact O-CB 3.35Å; E453-L458 PolarHBondContact O-N 3.5Å; E453-Y459 HydrophobicContact CB-CE1 3.92Å; E453-Y459 WeakPolarHBondContact OE2-CE1 3.31Å; E453-Y459 PolarHBondContact OE2-OH 3.44Å; E453-Y459 VanDerWaalsContact OE2-OH 3.05Å
454	S	88.3	Confident	90.2	Very high	20 Å²	20	24.2 Å²	24.2	14%	0.14	14%	0.136	C	C	.	.	H	α-helix	trans	-71.1	-32.4	175.2	-170.9	0	0	0	0	112.6	S450 Q452 D456 G457 Y459	S450-S454 WeakPolarHBondContact O-CB 3.22Å; S450-S454 PolarHBondContact O-N 2.82Å; S450-S454 VanDerWaalsContact O-N 3.16Å; Q452-S454 PolarHBondContact O-N 2.9Å; S454-D456 PolarHBondContact O-N 2.91Å; S454-G457 PolarHBondContact O-N 2.87Å; S454-G457 VanDerWaalsContact O-N 3.07Å; S454-Y459 VanDerWaalsContact CA-O 3.3Å; S454-Y459 WeakPolarHBondContact CA-O 3.06Å; S454-Y459 VanDerWaalsContact CB-O 3.23Å; S454-Y459 WeakPolarHBondContact CB-O 3.32Å; S454-Y459 PolarHBondContact OG-O 3.43Å
455	Q	82.9	Confident	90.3	Very high	65 Å²	65	23 Å²	23	30%	0.304	13%	0.128	S	C	.	.	H	α-helix	trans	-69	-22.2	173.3	-71	178.5	-11.5	0	0	112.7	R103 D451 Q452 G457	R103-Q455 VanDerWaalsContact NH2-C 3.27Å; R103-Q455 PolarHBondContact NH2-O 2.92Å; D451-Q455 WeakPolarHBondContact O-CG 3.43Å; Q452-Q455 WeakPolarHBondContact O-CB 3.4Å; Q452-Q455 PolarHBondContact O-N 2.89Å; Q455-G457 VanDerWaalsContact C-N 3.25Å
456	D	82.6	Confident	90.6	Very high	16 Å²	16	21.5 Å²	21.5	9%	0.086	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-1.1	172.1	-63.9	-15.1	0	0	0	112.7	R103 Q207 Q452 E453 S454 L458	R103-D456 IonicContact CZ-OD1 2.7Å; R103-D456 IonicContact NH1-OD1 3.95Å; R103-D456 IonicContact NH2-OD1 2.95Å; R103-D456 PolarHBondContact NH2-OD1 3.29Å; Q207-D456 PolarHBondContact NE2-OD2 3.1Å; Q452-D456 PolarHBondContact O-N 3.1Å; E453-D456 PolarHBondContact O-N 3.38Å; S454-D456 PolarHBondContact O-N 2.91Å; D456-L458 VanDerWaalsContact C-N 3.34Å; D456-L458 HydrophobicContact CB-CD1 4.34Å; D456-L458 HydrophobicContact CB-CG 4.4Å; D456-L458 PolarHBondContact O-N 3.19Å
457	G	82.8	Confident	90.7	Very high	41 Å²	41	21.5 Å²	21.5	42%	0.423	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	9.4	178.1	0	0	0	0	0	115.1	S454 Q455	S454-G457 PolarHBondContact O-N 2.87Å; S454-G457 VanDerWaalsContact O-N 3.07Å; Q455-G457 VanDerWaalsContact C-N 3.25Å
458	L	88	Confident	90.8	Very high	6 Å²	6	20.4 Å²	20.4	3%	0.031	12%	0.116	C	C	.	.	S	Bend	trans	-65.9	-46.8	-177.5	-69.7	163	0	0	0	111.9	T152 L155 A156 K368 E453 D456	T152-L458 HydrophobicContact CG2-CD1 4.08Å; T152-L458 HydrophobicContact CG2-CD2 4.13Å; L155-L458 HydrophobicContact CB-CD2 4.22Å; A156-L458 HydrophobicContact CB-CD2 3.66Å; K368-L458 WeakPolarHBondContact CD-O 3.45Å; K368-L458 VanDerWaalsContact CE-O 3.32Å; K368-L458 WeakPolarHBondContact CE-O 3.02Å; K368-L458 PolarHBondContact NZ-O 3.02Å; E453-L458 HydrophobicContact CB-CD1 3.82Å; E453-L458 HydrophobicContact CG-CD1 4.02Å; E453-L458 WeakPolarHBondContact O-CB 3.35Å; E453-L458 PolarHBondContact O-N 3.5Å; D456-L458 VanDerWaalsContact C-N 3.34Å; D456-L458 HydrophobicContact CB-CD1 4.34Å; D456-L458 HydrophobicContact CB-CG 4.4Å; D456-L458 PolarHBondContact O-N 3.19Å
459	Y	91.5	Very high	91.1	Very high	7 Å²	7	19 Å²	19	3%	0.027	10%	0.104	C	C	.	.			trans	-157.8	166.1	179.2	54.5	-101.4	0	0	0	111.8	L155 L372 E453 S454 M464	L155-Y459 HydrophobicContact CD1-CD1 3.98Å; L155-Y459 HydrophobicContact CD1-CE1 3.96Å; L155-Y459 HydrophobicContact CD2-CD1 4.39Å; L372-Y459 HydrophobicContact CD1-CD1 4.03Å; L372-Y459 HydrophobicContact CD1-CD2 4.28Å; L372-Y459 HydrophobicContact CD1-CE1 4.49Å; L372-Y459 HydrophobicContact CD1-CG 3.9Å; L372-Y459 HydrophobicContact CD2-CD1 4.24Å; L372-Y459 HydrophobicContact CD2-CE1 3.87Å; L372-Y459 HydrophobicContact CD2-CE2 4.28Å; L372-Y459 HydrophobicContact CG-CD1 4.44Å; E453-Y459 HydrophobicContact CB-CE1 3.92Å; E453-Y459 WeakPolarHBondContact OE2-CE1 3.31Å; E453-Y459 PolarHBondContact OE2-OH 3.44Å; E453-Y459 VanDerWaalsContact OE2-OH 3.05Å; S454-Y459 VanDerWaalsContact CA-O 3.3Å; S454-Y459 WeakPolarHBondContact CA-O 3.06Å; S454-Y459 VanDerWaalsContact CB-O 3.23Å; S454-Y459 WeakPolarHBondContact CB-O 3.32Å; S454-Y459 PolarHBondContact OG-O 3.43Å; Y459-M464 HydrophobicContact CE2-CB 4.15Å; Y459-M464 HydrophobicContact CE2-CE 4.26Å; Y459-M464 WeakPolarHBondContact OH-CE 3.34Å
460	Q	90.2	Very high	91.3	Very high	96 Å²	96	22.3 Å²	22.3	45%	0.449	12%	0.121	S	C	.	.			trans	-86	147.7	173.7	-67.9	-178.4	-12.9	0	0	110.7	W462 Q463	Q460-W462 VanDerWaalsContact C-N 3.27Å; Q460-W462 PolarHBondContact O-N 3.06Å; Q460-Q463 HydrophobicContact CB-CG 4.31Å; Q460-Q463 VanDerWaalsContact O-CB 3.26Å; Q460-Q463 WeakPolarHBondContact O-CB 3.44Å; Q460-Q463 WeakPolarHBondContact O-CG 3.48Å; Q460-Q463 PolarHBondContact O-N 3.33Å
461	K	92	Very high	91.3	Very high	5 Å²	5	22.4 Å²	22.4	2%	0.022	12%	0.122	C	C	.	.	H	α-helix	trans	-63.4	-30.5	-170.3	-68.8	-179.8	-156.1	-177.6	0	114.4	D451 Q463 M464 L465 F643 D647	D451-K461 WeakPolarHBondContact OD1-CD 3.31Å; D451-K461 VanDerWaalsContact OD1-CE 3.25Å; D451-K461 WeakPolarHBondContact OD1-CE 3.33Å; D451-K461 IonicContact OD1-NZ 3.01Å; D451-K461 PolarHBondContact OD1-NZ 3.45Å; K461-Q463 PolarHBondContact O-N 3.02Å; K461-M464 PolarHBondContact O-N 3.28Å; K461-L465 PolarHBondContact O-N 2.99Å; K461-F643 HydrophobicContact CB-CB 4.43Å; K461-F643 HydrophobicContact CB-CD1 4.1Å; K461-D647 VanDerWaalsContact CB-OD1 3.25Å; K461-D647 WeakPolarHBondContact CB-OD1 3.32Å; K461-D647 WeakPolarHBondContact CD-OD1 3.1Å; K461-D647 WeakPolarHBondContact CE-OD1 3.44Å; K461-D647 WeakPolarHBondContact CG-OD1 3.5Å; K461-D647 PolarHBondContact N-OD2 3.46Å; K461-D647 IonicContact NZ-OD1 3.68Å
462	W	93.3	Very high	91.4	Very high	27 Å²	27	21.1 Å²	21.1	10%	0.102	11%	0.114	C	C	.	.	H	α-helix	trans	-63.8	-23.6	175.5	72.2	-94.7	0	0	0	112.6	M365 Q460 L465 L466 M640 F643	M365-W462 HydrophobicContact CE-CH2 3.5Å; M365-W462 VanDerWaalsContact CE-CH2 3.5Å; M365-W462 HydrophobicContact CE-CZ2 4.05Å; M365-W462 HydrophobicContact CG-CH2 4.16Å; M365-W462 HydrophobicContact CG-CZ2 4.24Å; M365-W462 HydrophobicContact SD-CH2 3.63Å; M365-W462 HydrophobicContact SD-CZ2 3.56Å; M365-W462 VanDerWaalsContact SD-CZ2 3.56Å; Q460-W462 VanDerWaalsContact C-N 3.27Å; Q460-W462 PolarHBondContact O-N 3.06Å; W462-L465 WeakPolarHBondContact O-CB 3.03Å; W462-L465 PolarHBondContact O-N 3.26Å; W462-L466 HydrophobicContact CE3-CB 4.38Å; W462-L466 HydrophobicContact CE3-CD2 4.38Å; W462-L466 HydrophobicContact CZ3-CB 4.48Å; W462-L466 HydrophobicContact CZ3-CD2 3.77Å; W462-L466 WeakPolarHBondContact O-CB 3.45Å; W462-L466 PolarHBondContact O-N 3.11Å; W462-M640 HydrophobicContact CB-CB 4.31Å; W462-M640 HydrophobicContact CB-CG 4.43Å; W462-M640 HydrophobicContact CE3-CG 4.3Å; W462-M640 HydrophobicContact CE3-SD 3.97Å; W462-M640 HydrophobicContact CZ3-SD 4.37Å; W462-F643 HydrophobicContact CB-CB 4.09Å
463	Q	94.5	Very high	91.8	Very high	8 Å²	8	22.7 Å²	22.7	4%	0.037	12%	0.123	C	C	.	.	H	α-helix	trans	-68.8	-37.4	177.6	-57.9	-175.6	-73.9	0	0	111.2	L369 L372 Q460 K461 L466 A467	L369-Q463 WeakPolarHBondContact CD1-O 3.44Å; L372-Q463 HydrophobicContact CD1-CB 3.92Å; Q460-Q463 HydrophobicContact CB-CG 4.31Å; Q460-Q463 VanDerWaalsContact O-CB 3.26Å; Q460-Q463 WeakPolarHBondContact O-CB 3.44Å; Q460-Q463 WeakPolarHBondContact O-CG 3.48Å; Q460-Q463 PolarHBondContact O-N 3.33Å; K461-Q463 PolarHBondContact O-N 3.02Å; Q463-L466 PolarHBondContact O-N 3.33Å; Q463-A467 WeakPolarHBondContact O-CB 3.24Å; Q463-A467 PolarHBondContact O-N 3.32Å
464	M	94.7	Very high	92	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-65.9	-43.6	172.2	-179.8	63.9	75	0	0	111.2	L372 V376 L446 S450 Y459 K461 L466 A467 Y468	L372-M464 HydrophobicContact CD2-CE 3.42Å; L372-M464 VanDerWaalsContact CD2-CE 3.42Å; L372-M464 HydrophobicContact CD2-SD 3.93Å; V376-M464 HydrophobicContact CG2-SD 3.67Å; L446-M464 HydrophobicContact CB-CG 4.31Å; L446-M464 HydrophobicContact CB-SD 4.19Å; L446-M464 HydrophobicContact CD2-SD 4Å; L446-M464 HydrophobicContact CG-SD 4.22Å; S450-M464 WeakPolarHBondContact OG-CB 3.29Å; Y459-M464 HydrophobicContact CE2-CB 4.15Å; Y459-M464 HydrophobicContact CE2-CE 4.26Å; Y459-M464 WeakPolarHBondContact OH-CE 3.34Å; K461-M464 PolarHBondContact O-N 3.28Å; M464-L466 VanDerWaalsContact C-N 3.32Å; M464-L466 PolarHBondContact O-N 2.95Å; M464-A467 PolarHBondContact O-N 3.25Å; M464-Y468 PolarHBondContact O-N 3.1Å
465	L	95.1	Very high	92.2	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.016	14%	0.143	C	C	.	.	H	α-helix	trans	-56.8	-48.1	174.8	177.2	76.3	0	0	0	110.9	F443 K461 W462 A467 Y468 V469 L519 G639 M640 F643	F443-L465 HydrophobicContact CE2-CD1 4.13Å; F443-L465 HydrophobicContact CZ-CD1 3.9Å; K461-L465 PolarHBondContact O-N 2.99Å; W462-L465 WeakPolarHBondContact O-CB 3.03Å; W462-L465 PolarHBondContact O-N 3.26Å; L465-A467 PolarHBondContact O-N 3.43Å; L465-Y468 CarbonylContact O-C 3.56Å; L465-Y468 WeakPolarHBondContact O-CA 3.38Å; L465-Y468 WeakPolarHBondContact O-CB 3.43Å; L465-Y468 PolarHBondContact O-N 3.44Å; L465-Y468 VanDerWaalsContact O-N 3.12Å; L465-V469 WeakPolarHBondContact O-CG2 3.29Å; L465-V469 PolarHBondContact O-N 2.73Å; L465-L519 HydrophobicContact CD1-CB 3.74Å; L465-L519 HydrophobicContact CD1-CD1 3.88Å; L465-L519 HydrophobicContact CD1-CD2 4.37Å; L465-L519 HydrophobicContact CD1-CG 4.22Å; L465-G639 WeakPolarHBondContact CD2-O 3.42Å; L465-M640 HydrophobicContact CD2-CG 4.49Å; L465-F643 HydrophobicContact CB-CD2 4.36Å; L465-F643 HydrophobicContact CB-CG 4.34Å; L465-F643 HydrophobicContact CD1-CD2 4.23Å; L465-F643 HydrophobicContact CD1-CE2 3.85Å; L465-F643 HydrophobicContact CD1-CZ 4.3Å; L465-F643 HydrophobicContact CD2-CD2 3.7Å; L465-F643 HydrophobicContact CD2-CE2 4.15Å; L465-F643 HydrophobicContact CD2-CG 4.3Å; L465-F643 HydrophobicContact CG-CD2 4.31Å; L465-F643 HydrophobicContact CG-CE2 4.42Å
466	L	95.6	Very high	92.7	Very high	31 Å²	31	23 Å²	23	16%	0.162	13%	0.129	C	C	.	.	H	α-helix	trans	-66.4	-38.9	-178.5	-174.5	61.1	0	0	0	112	L369 W462 Q463 M464 Y468 V469 L470 V636	L369-L466 HydrophobicContact CD1-CB 3.98Å; L369-L466 HydrophobicContact CD1-CD2 4.03Å; L369-L466 HydrophobicContact CD1-CG 4.02Å; L369-L466 HydrophobicContact CD2-CD2 3.58Å; L369-L466 HydrophobicContact CD2-CG 4.2Å; L369-L466 HydrophobicContact CG-CD2 4.48Å; W462-L466 HydrophobicContact CE3-CB 4.38Å; W462-L466 HydrophobicContact CE3-CD2 4.38Å; W462-L466 HydrophobicContact CZ3-CB 4.48Å; W462-L466 HydrophobicContact CZ3-CD2 3.77Å; W462-L466 WeakPolarHBondContact O-CB 3.45Å; W462-L466 PolarHBondContact O-N 3.11Å; Q463-L466 PolarHBondContact O-N 3.33Å; M464-L466 VanDerWaalsContact C-N 3.32Å; M464-L466 PolarHBondContact O-N 2.95Å; L466-Y468 VanDerWaalsContact C-N 3.27Å; L466-Y468 PolarHBondContact O-N 3.26Å; L466-V469 PolarHBondContact O-N 2.75Å; L466-V469 VanDerWaalsContact O-N 3.15Å; L466-L470 HydrophobicContact CD1-CG 4.45Å; L466-L470 HydrophobicContact CG-CD1 4.25Å; L466-L470 WeakPolarHBondContact O-CG 3.31Å; L466-L470 PolarHBondContact O-N 3.11Å; L466-V636 HydrophobicContact CD1-CG1 4.28Å
467	A	96.3	Very high	93.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.4	-39.7	171.5	0	0	0	0	0	111.5	L369 L372 L373 V376 Q463 M464 L465 L470 H471	L369-A467 HydrophobicContact CD1-CB 4.23Å; L372-A467 HydrophobicContact CB-CB 3.87Å; L373-A467 WeakPolarHBondContact CD1-O 3.42Å; V376-A467 HydrophobicContact CG2-CB 4.48Å; Q463-A467 WeakPolarHBondContact O-CB 3.24Å; Q463-A467 PolarHBondContact O-N 3.32Å; M464-A467 PolarHBondContact O-N 3.25Å; L465-A467 PolarHBondContact O-N 3.43Å; A467-L470 PolarHBondContact O-N 2.82Å; A467-H471 PolarHBondContact O-N 2.93Å
468	Y	96	Very high	94	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65	-41.3	172.4	-177.8	-78.4	0	0	0	112.2	R390 A439 L442 F443 L446 M464 L465 L466 L470 H471 A472 E515 L519	R390-Y468 PolarHBondContact NH1-OH 3.31Å; R390-Y468 VanDerWaalsContact NH1-OH 3.16Å; A439-Y468 WeakPolarHBondContact CA-OH 3.38Å; L442-Y468 HydrophobicContact CB-CE2 4.25Å; L442-Y468 HydrophobicContact CD2-CE2 3.79Å; L442-Y468 HydrophobicContact CG-CE2 4Å; F443-Y468 HydrophobicContact CB-CE2 4.22Å; F443-Y468 HydrophobicContact CD2-CD1 4.27Å; F443-Y468 AromaticContact CD2-CD2 3.61Å; F443-Y468 HydrophobicContact CD2-CD2 3.61Å; F443-Y468 HydrophobicContact CD2-CE2 4.11Å; F443-Y468 AromaticContact CD2-CG 3.69Å; F443-Y468 HydrophobicContact CD2-CG 3.69Å; F443-Y468 HydrophobicContact CE2-CD2 4.38Å; F443-Y468 HydrophobicContact CE2-CG 4.1Å; L446-Y468 HydrophobicContact CD2-CD2 4.07Å; M464-Y468 PolarHBondContact O-N 3.1Å; L465-Y468 CarbonylContact O-C 3.56Å; L465-Y468 WeakPolarHBondContact O-CA 3.38Å; L465-Y468 WeakPolarHBondContact O-CB 3.43Å; L465-Y468 PolarHBondContact O-N 3.44Å; L465-Y468 VanDerWaalsContact O-N 3.12Å; L466-Y468 VanDerWaalsContact C-N 3.27Å; L466-Y468 PolarHBondContact O-N 3.26Å; Y468-L470 VanDerWaalsContact C-N 3.34Å; Y468-L470 PolarHBondContact O-N 3.08Å; Y468-H471 WeakPolarHBondContact CA-ND1 3.31Å; Y468-H471 AromaticContact CD1-CE1 3.98Å; Y468-H471 AromaticContact CD2-CE1 3.17Å; Y468-H471 WeakPolarHBondContact CD2-CE1 3.28Å; Y468-H471 AromaticContact CD2-NE2 3.89Å; Y468-H471 AromaticContact CE2-CE1 3.46Å; Y468-H471 VanDerWaalsContact CE2-CE1 3.46Å; Y468-H471 WeakPolarHBondContact CE2-CE1 3.28Å; Y468-H471 AromaticContact CE2-NE2 3.99Å; Y468-H471 AromaticContact CG-CE1 3.47Å; Y468-H471 VanDerWaalsContact CG-CE1 3.47Å; Y468-H471 AromaticContact CG-ND1 3.99Å; Y468-H471 AromaticContact CZ-CE1 3.92Å; Y468-H471 PolarHBondContact O-CE1 3.18Å; Y468-H471 PolarHBondContact O-ND1 3.13Å; Y468-A472 HydrophobicContact CE1-CB 4.2Å; Y468-A472 VanDerWaalsContact O-CB 3.3Å; Y468-A472 WeakPolarHBondContact O-CB 3.36Å; Y468-A472 PolarHBondContact O-N 3.18Å; Y468-E515 HydrophobicContact CE1-CG 4.22Å; Y468-E515 PolarHBondContact OH-OE1 3.46Å; Y468-L519 HydrophobicContact CD1-CD1 3.34Å; Y468-L519 HydrophobicContact CD1-CD2 3.76Å; Y468-L519 HydrophobicContact CD1-CG 4.12Å; Y468-L519 HydrophobicContact CE1-CD1 3.57Å; Y468-L519 HydrophobicContact CE1-CD2 3.72Å; Y468-L519 HydrophobicContact CE1-CG 4.05Å; Y468-L519 HydrophobicContact CG-CD1 4.42Å; Y468-L519 HydrophobicContact CG-CD2 4.35Å
469	V	96.1	Very high	94.2	Very high	9 Å²	9	27.2 Å²	27.2	6%	0.055	14%	0.143	C	C	.	.	H	α-helix	trans	-62.5	-46.1	178.1	169.3	0	0	0	0	110.4	L465 L466 A472 F516 L519 V636	L465-V469 WeakPolarHBondContact O-CG2 3.29Å; L465-V469 PolarHBondContact O-N 2.73Å; L466-V469 PolarHBondContact O-N 2.75Å; L466-V469 VanDerWaalsContact O-N 3.15Å; V469-A472 PolarHBondContact O-N 3.41Å; V469-F516 HydrophobicContact CB-CE1 4.17Å; V469-F516 HydrophobicContact CG1-CE1 3.88Å; V469-F516 HydrophobicContact CG1-CE2 4.35Å; V469-F516 HydrophobicContact CG1-CZ 3.75Å; V469-F516 HydrophobicContact CG2-CD1 4.02Å; V469-F516 HydrophobicContact CG2-CE1 3.92Å; V469-L519 HydrophobicContact CG2-CD1 4.02Å; V469-V636 HydrophobicContact CG1-CG1 4.24Å; V469-V636 HydrophobicContact CG1-CG2 3.71Å; V469-V636 HydrophobicContact CG2-CG1 4.38Å; V469-V636 HydrophobicContact CG2-CG2 4.12Å
470	L	95.7	Very high	94.3	Very high	71 Å²	71	27 Å²	27	37%	0.372	14%	0.143	S	C	.	.	H	α-helix	trans	-67.2	-40.3	-177.6	-67.6	174.3	0	0	0	113.1	L369 L373 L466 A467 Y468 A472 P474	L369-L470 HydrophobicContact CD2-CD1 4.27Å; L373-L470 HydrophobicContact CD1-CB 3.83Å; L373-L470 HydrophobicContact CD2-CB 4.27Å; L373-L470 HydrophobicContact CD2-CD1 4.44Å; L466-L470 HydrophobicContact CD1-CG 4.45Å; L466-L470 HydrophobicContact CG-CD1 4.25Å; L466-L470 WeakPolarHBondContact O-CG 3.31Å; L466-L470 PolarHBondContact O-N 3.11Å; A467-L470 PolarHBondContact O-N 2.82Å; Y468-L470 VanDerWaalsContact C-N 3.34Å; Y468-L470 PolarHBondContact O-N 3.08Å; L470-A472 VanDerWaalsContact C-N 3.3Å; L470-A472 PolarHBondContact O-N 2.82Å; L470-P474 WeakPolarHBondContact O-CD 3.45Å
471	H	93.5	Very high	94.5	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.019	14%	0.142	C	C	.	.	H	α-helix	trans	-71.4	-25.2	178.6	89.9	-47.7	0	0	0	112.8	L373 V376 A467 Y468 P474 F475	L373-H471 HydrophobicContact CD1-CB 3.72Å; V376-H471 HydrophobicContact CG1-CB 4.28Å; V376-H471 VanDerWaalsContact CG1-CD2 3.46Å; V376-H471 WeakPolarHBondContact CG1-CD2 3.46Å; A467-H471 PolarHBondContact O-N 2.93Å; Y468-H471 WeakPolarHBondContact CA-ND1 3.31Å; Y468-H471 AromaticContact CD1-CE1 3.98Å; Y468-H471 AromaticContact CD2-CE1 3.17Å; Y468-H471 WeakPolarHBondContact CD2-CE1 3.28Å; Y468-H471 AromaticContact CD2-NE2 3.89Å; Y468-H471 AromaticContact CE2-CE1 3.46Å; Y468-H471 VanDerWaalsContact CE2-CE1 3.46Å; Y468-H471 WeakPolarHBondContact CE2-CE1 3.28Å; Y468-H471 AromaticContact CE2-NE2 3.99Å; Y468-H471 AromaticContact CG-CE1 3.47Å; Y468-H471 VanDerWaalsContact CG-CE1 3.47Å; Y468-H471 AromaticContact CG-ND1 3.99Å; Y468-H471 AromaticContact CZ-CE1 3.92Å; Y468-H471 PolarHBondContact O-CE1 3.18Å; Y468-H471 PolarHBondContact O-ND1 3.13Å; H471-P474 WeakPolarHBondContact O-CD 3.36Å; H471-F475 WeakPolarHBondContact O-CD2 3.49Å; H471-F475 WeakPolarHBondContact O-CE2 3.39Å
472	A	92.8	Very high	94.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-78	-33.4	-173.4	0	0	0	0	0	111.8	Y468 V469 L470 F475 S476	Y468-A472 HydrophobicContact CE1-CB 4.2Å; Y468-A472 VanDerWaalsContact O-CB 3.3Å; Y468-A472 WeakPolarHBondContact O-CB 3.36Å; Y468-A472 PolarHBondContact O-N 3.18Å; V469-A472 PolarHBondContact O-N 3.41Å; L470-A472 VanDerWaalsContact C-N 3.3Å; L470-A472 PolarHBondContact O-N 2.82Å; A472-F475 PolarHBondContact O-N 3.39Å; A472-S476 WeakPolarHBondContact O-CB 3.45Å; A472-S476 PolarHBondContact O-N 3.16Å; A472-S476 PolarHBondContact O-OG 2.91Å
473	L	94.5	Very high	94.7	Very high	55 Å²	55	27.5 Å²	27.5	29%	0.288	15%	0.152	S	C	.	.	H	α-helix	trans	-52.7	-50.9	-175.3	-71.2	168.8	0	0	0	113.8	F475 S476 I477 L512 F516	L473-F475 PolarHBondContact O-N 3.27Å; L473-S476 PolarHBondContact O-N 2.9Å; L473-I477 WeakPolarHBondContact O-CD1 3.37Å; L473-I477 VanDerWaalsContact O-CG1 3.23Å; L473-I477 WeakPolarHBondContact O-CG1 3.44Å; L473-I477 PolarHBondContact O-N 3.41Å; L473-L512 HydrophobicContact CD2-CD1 3.72Å; L473-L512 HydrophobicContact CD2-CD2 3.85Å; L473-L512 HydrophobicContact CD2-CG 4.45Å; L473-F516 HydrophobicContact CD2-CZ 4.12Å
474	P	94.6	Very high	94.7	Very high	74 Å²	74	27.1 Å²	27.1	48%	0.481	15%	0.15	S	C	.	.	H	α-helix	trans	-60.6	-42.7	-179.1	-23.1	34.6	0	0	0	112.9	L470 H471 I477 V478	L470-P474 WeakPolarHBondContact O-CD 3.45Å; H471-P474 WeakPolarHBondContact O-CD 3.36Å; P474-I477 PolarHBondContact O-N 3.03Å; P474-V478 VanDerWaalsContact O-CG2 3.29Å; P474-V478 WeakPolarHBondContact O-CG2 3.34Å; P474-V478 PolarHBondContact O-N 3.26Å
475	F	93.7	Very high	94.6	Very high	30 Å²	30	29.2 Å²	29.2	13%	0.132	17%	0.165	C	C	.	.	H	α-helix	trans	-67.7	-41.3	179.5	-63	-86.5	0	0	0	111.5	L380 M381 V387 L391 H471 A472 L473 V478 A479	L380-F475 HydrophobicContact CD2-CD2 4.01Å; L380-F475 HydrophobicContact CD2-CE2 3.73Å; L380-F475 HydrophobicContact CD2-CZ 4.02Å; M381-F475 HydrophobicContact CG-CZ 4.39Å; M381-F475 HydrophobicContact SD-CE1 3.77Å; M381-F475 HydrophobicContact SD-CZ 3.54Å; M381-F475 VanDerWaalsContact SD-CZ 3.54Å; V387-F475 HydrophobicContact CG1-CE1 4.19Å; L391-F475 HydrophobicContact CD2-CD1 4.46Å; H471-F475 WeakPolarHBondContact O-CD2 3.49Å; H471-F475 WeakPolarHBondContact O-CE2 3.39Å; A472-F475 PolarHBondContact O-N 3.39Å; L473-F475 PolarHBondContact O-N 3.27Å; F475-V478 PolarHBondContact O-N 2.83Å; F475-A479 VanDerWaalsContact O-CB 3.22Å; F475-A479 WeakPolarHBondContact O-CB 3.37Å; F475-A479 PolarHBondContact O-N 2.79Å
476	S	94.3	Very high	94.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-68.4	-33.9	179.8	-65	0	0	0	0	112.2	R390 A472 L473 T480 L508 E515	R390-S476 PolarHBondContact NH2-OG 3.45Å; A472-S476 WeakPolarHBondContact O-CB 3.45Å; A472-S476 PolarHBondContact O-N 3.16Å; A472-S476 PolarHBondContact O-OG 2.91Å; L473-S476 PolarHBondContact O-N 2.9Å; S476-T480 WeakPolarHBondContact O-CB 3.46Å; S476-T480 PolarHBondContact O-N 3.08Å; S476-T480 VanDerWaalsContact O-N 3.1Å; S476-T480 PolarHBondContact O-OG1 3.33Å; S476-L508 WeakPolarHBondContact O-CD1 3.31Å; S476-E515 PolarHBondContact OG-OE2 3.42Å; S476-E515 VanDerWaalsContact OG-OE2 3.13Å
477	I	95.4	Very high	94.4	Very high	79 Å²	79	30 Å²	30	41%	0.405	17%	0.172	S	C	.	.	H	α-helix	trans	-65.1	-52.5	171.1	-68.2	163.4	0	0	0	110.2	L473 P474 A479 T480 V481 L508	L473-I477 WeakPolarHBondContact O-CD1 3.37Å; L473-I477 VanDerWaalsContact O-CG1 3.23Å; L473-I477 WeakPolarHBondContact O-CG1 3.44Å; L473-I477 PolarHBondContact O-N 3.41Å; P474-I477 PolarHBondContact O-N 3.03Å; I477-A479 PolarHBondContact O-N 2.87Å; I477-T480 PolarHBondContact O-N 3.12Å; I477-V481 HydrophobicContact CG2-CG2 4.47Å; I477-V481 WeakPolarHBondContact O-CG2 3.43Å; I477-V481 PolarHBondContact O-N 3.23Å; I477-L508 HydrophobicContact CG1-CD1 4.1Å; I477-L508 HydrophobicContact CG1-CD2 3.82Å
478	V	95.3	Very high	94.2	Very high	71 Å²	71	30.1 Å²	30.1	43%	0.43	17%	0.172	S	C	.	.	H	α-helix	trans	-61.3	-44.7	-179.2	173.4	0	0	0	0	111.2	L391 P474 F475 T480 V481 I482	L391-V478 HydrophobicContact CD2-CB 4.21Å; L391-V478 HydrophobicContact CD2-CG1 3.92Å; P474-V478 VanDerWaalsContact O-CG2 3.29Å; P474-V478 WeakPolarHBondContact O-CG2 3.34Å; P474-V478 PolarHBondContact O-N 3.26Å; F475-V478 PolarHBondContact O-N 2.83Å; V478-T480 VanDerWaalsContact C-N 3.33Å; V478-T480 PolarHBondContact O-N 3.05Å; V478-V481 PolarHBondContact O-N 3.48Å; V478-I482 HydrophobicContact CG1-CD1 3.69Å; V478-I482 HydrophobicContact CG1-CG1 4.32Å; V478-I482 VanDerWaalsContact O-CG1 3.3Å; V478-I482 WeakPolarHBondContact O-CG1 3.3Å; V478-I482 PolarHBondContact O-N 3.37Å
479	A	93.7	Very high	94.1	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-59.2	-44	177.5	0	0	0	0	0	111.9	R390 L391 F475 I477 F483	R390-A479 WeakPolarHBondContact O-CB 3.26Å; L391-A479 HydrophobicContact CD2-CB 4.32Å; F475-A479 VanDerWaalsContact O-CB 3.22Å; F475-A479 WeakPolarHBondContact O-CB 3.37Å; F475-A479 PolarHBondContact O-N 2.79Å; I477-A479 PolarHBondContact O-N 2.87Å; A479-F483 VanDerWaalsContact O-CB 3.28Å; A479-F483 WeakPolarHBondContact O-CB 3.34Å; A479-F483 PolarHBondContact O-N 2.95Å
480	T	94.1	Very high	94	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-66.4	-40.7	177.8	-55	0	0	0	0	111.9	S476 I477 V478 F483 S484 S504 L507 L508	S476-T480 WeakPolarHBondContact O-CB 3.46Å; S476-T480 PolarHBondContact O-N 3.08Å; S476-T480 VanDerWaalsContact O-N 3.1Å; S476-T480 PolarHBondContact O-OG1 3.33Å; I477-T480 PolarHBondContact O-N 3.12Å; V478-T480 VanDerWaalsContact C-N 3.33Å; V478-T480 PolarHBondContact O-N 3.05Å; T480-F483 PolarHBondContact O-N 3.05Å; T480-S484 VanDerWaalsContact O-CB 3.26Å; T480-S484 WeakPolarHBondContact O-CB 3.5Å; T480-S484 PolarHBondContact O-N 2.99Å; T480-S484 PolarHBondContact O-OG 3.4Å; T480-S504 WeakPolarHBondContact CG2-O 3.42Å; T480-L507 HydrophobicContact CG2-CB 4.24Å; T480-L508 HydrophobicContact CG2-CB 4Å
481	V	94.4	Very high	93.8	Very high	71 Å²	71	35.3 Å²	35.3	43%	0.43	19%	0.193	S	C	.	.	H	α-helix	trans	-66.1	-43.6	178	172.4	0	0	0	0	111.3	I477 V478 S484 S485	I477-V481 HydrophobicContact CG2-CG2 4.47Å; I477-V481 WeakPolarHBondContact O-CG2 3.43Å; I477-V481 PolarHBondContact O-N 3.23Å; V478-V481 PolarHBondContact O-N 3.48Å; V481-S484 WeakPolarHBondContact CA-OG 3.43Å; V481-S484 PolarHBondContact O-OG 3Å; V481-S484 VanDerWaalsContact O-OG 3.08Å; V481-S485 VanDerWaalsContact O-CB 3.25Å; V481-S485 WeakPolarHBondContact O-CB 3.33Å; V481-S485 PolarHBondContact O-N 2.97Å; V481-S485 PolarHBondContact O-OG 3Å; V481-S485 VanDerWaalsContact O-OG 3.08Å
482	I	94.1	Very high	93.6	Very high	64 Å²	64	36.1 Å²	36.1	33%	0.328	20%	0.202	S	C	.	.	H	α-helix	trans	-59.4	-52	175.8	-69.1	168.9	0	0	0	110.1	L395 V478 S485 V486	L395-I482 HydrophobicContact CD2-CG2 4.16Å; V478-I482 HydrophobicContact CG1-CD1 3.69Å; V478-I482 HydrophobicContact CG1-CG1 4.32Å; V478-I482 VanDerWaalsContact O-CG1 3.3Å; V478-I482 WeakPolarHBondContact O-CG1 3.3Å; V478-I482 PolarHBondContact O-N 3.37Å; I482-S485 PolarHBondContact O-N 3.26Å; I482-S485 PolarHBondContact O-OG 2.92Å; I482-V486 PolarHBondContact O-N 3.33Å
483	F	94.4	Very high	93.5	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.013	21%	0.205	C	C	.	.	H	α-helix	trans	-59	-51.2	179.3	159.4	-115.5	0	0	0	113.2	N394 G398 L427 T431 A479 T480 S485 V486 C487 L507	N394-F483 VanDerWaalsContact C-CD2 3.49Å; N394-F483 HydrophobicContact CB-CB 3.71Å; N394-F483 HydrophobicContact CB-CD1 4.3Å; N394-F483 HydrophobicContact CB-CD2 4.36Å; N394-F483 HydrophobicContact CB-CG 3.9Å; N394-F483 WeakPolarHBondContact O-CD2 3.28Å; N394-F483 VanDerWaalsContact O-CE2 3.24Å; N394-F483 WeakPolarHBondContact O-CE2 3.46Å; G398-F483 VanDerWaalsContact CA-CE2 3.45Å; L427-F483 HydrophobicContact CD2-CE1 4.16Å; L427-F483 HydrophobicContact CD2-CE2 4.13Å; L427-F483 HydrophobicContact CD2-CZ 3.35Å; T431-F483 HydrophobicContact CG2-CE1 4.13Å; A479-F483 VanDerWaalsContact O-CB 3.28Å; A479-F483 WeakPolarHBondContact O-CB 3.34Å; A479-F483 PolarHBondContact O-N 2.95Å; T480-F483 PolarHBondContact O-N 3.05Å; F483-S485 PolarHBondContact O-N 3.32Å; F483-V486 PolarHBondContact O-N 3.23Å; F483-C487 WeakPolarHBondContact CD2-SG 3.46Å; F483-C487 WeakPolarHBondContact CE2-SG 3.43Å; F483-C487 WeakPolarHBondContact O-CB 3.25Å; F483-C487 PolarHBondContact O-N 2.86Å; F483-C487 PolarHBondContact O-SG 3.03Å; F483-L507 HydrophobicContact CE1-CD1 3.78Å
484	S	93.5	Very high	93.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64	-40.9	-178.8	53.3	0	0	0	0	111.3	T480 V481 V486 C487 Y488 S504	T480-S484 VanDerWaalsContact O-CB 3.26Å; T480-S484 WeakPolarHBondContact O-CB 3.5Å; T480-S484 PolarHBondContact O-N 2.99Å; T480-S484 PolarHBondContact O-OG 3.4Å; V481-S484 WeakPolarHBondContact CA-OG 3.43Å; V481-S484 PolarHBondContact O-OG 3Å; V481-S484 VanDerWaalsContact O-OG 3.08Å; S484-V486 PolarHBondContact O-N 3.09Å; S484-C487 PolarHBondContact O-N 3.47Å; S484-Y488 WeakPolarHBondContact O-CB 3.25Å; S484-Y488 PolarHBondContact O-N 2.77Å; S484-S504 WeakPolarHBondContact CB-OG 3.3Å; S484-S504 PolarHBondContact OG-OG 3.45Å
485	S	93.4	Very high	92.9	Very high	46 Å²	46	38 Å²	38	32%	0.322	21%	0.211	S	C	.	.	H	α-helix	trans	-60.8	-43.9	178.5	67.3	0	0	0	0	112	V481 I482 F483	V481-S485 VanDerWaalsContact O-CB 3.25Å; V481-S485 WeakPolarHBondContact O-CB 3.33Å; V481-S485 PolarHBondContact O-N 2.97Å; V481-S485 PolarHBondContact O-OG 3Å; V481-S485 VanDerWaalsContact O-OG 3.08Å; I482-S485 PolarHBondContact O-N 3.26Å; I482-S485 PolarHBondContact O-OG 2.92Å; F483-S485 PolarHBondContact O-N 3.32Å
486	V	93.4	Very high	92.8	Very high	50 Å²	50	40.9 Å²	40.9	30%	0.303	22%	0.224	S	C	.	.	H	α-helix	trans	-69.7	-46.3	177.5	177.2	0	0	0	0	110.7	L395 L399 I402 I482 F483 S484 T490	L395-V486 HydrophobicContact CD1-CB 3.65Å; L395-V486 HydrophobicContact CD1-CG1 3.87Å; L395-V486 HydrophobicContact CD1-CG2 3.73Å; L399-V486 HydrophobicContact CD2-CG1 4.31Å; I402-V486 HydrophobicContact CD1-CG1 4.16Å; I482-V486 PolarHBondContact O-N 3.33Å; F483-V486 PolarHBondContact O-N 3.23Å; S484-V486 PolarHBondContact O-N 3.09Å; V486-T490 WeakPolarHBondContact O-CB 3.45Å; V486-T490 PolarHBondContact O-N 2.96Å; V486-T490 PolarHBondContact O-OG1 3.35Å
487	C	92.4	Very high	92.7	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.007	26%	0.255	C	S	.	.	H	α-helix	trans	-70.3	-46.5	-174.3	-63.1	0	0	0	0	113.5	G398 F483 S484 W489 T490 L491	G398-C487 WeakPolarHBondContact CA-SG 3.45Å; F483-C487 WeakPolarHBondContact CD2-SG 3.46Å; F483-C487 WeakPolarHBondContact CE2-SG 3.43Å; F483-C487 WeakPolarHBondContact O-CB 3.25Å; F483-C487 PolarHBondContact O-N 2.86Å; F483-C487 PolarHBondContact O-SG 3.03Å; S484-C487 PolarHBondContact O-N 3.47Å; C487-W489 PolarHBondContact O-N 3.42Å; C487-T490 PolarHBondContact O-N 3.39Å; C487-L491 HydrophobicContact CB-CD1 4.2Å; C487-L491 VanDerWaalsContact O-CB 3.27Å; C487-L491 WeakPolarHBondContact O-CB 3.26Å; C487-L491 WeakPolarHBondContact O-CD1 3.36Å; C487-L491 WeakPolarHBondContact O-CG 3.48Å; C487-L491 PolarHBondContact O-N 3.02Å
488	Y	93.7	Very high	92.7	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-60.9	-48.5	-171	-169.6	-97.5	0	0	0	112	S484 G492 L493 Y494 R499 F500 F503	S484-Y488 WeakPolarHBondContact O-CB 3.25Å; S484-Y488 PolarHBondContact O-N 2.77Å; Y488-G492 PolarHBondContact O-N 2.95Å; Y488-L493 HydrophobicContact CD2-CB 3.84Å; Y488-L493 HydrophobicContact CD2-CD1 3.65Å; Y488-L493 HydrophobicContact CD2-CG 4.33Å; Y488-L493 HydrophobicContact CE1-CB 4.36Å; Y488-L493 HydrophobicContact CE2-CB 3.59Å; Y488-L493 HydrophobicContact CE2-CD1 4.16Å; Y488-L493 HydrophobicContact CE2-CG 4.38Å; Y488-L493 HydrophobicContact CG-CB 4.32Å; Y488-L493 HydrophobicContact CG-CD1 4.22Å; Y488-L493 PolarHBondContact O-N 3.06Å; Y488-Y494 VanDerWaalsContact CE1-O 3.3Å; Y488-Y494 WeakPolarHBondContact CE1-O 3.39Å; Y488-Y494 PolarHBondContact OH-O 3.12Å; Y488-R499 WeakPolarHBondContact OH-CB 3.44Å; Y488-F500 HydrophobicContact CD1-CB 3.87Å; Y488-F500 AromaticContact CD1-CD2 3.77Å; Y488-F500 HydrophobicContact CD1-CD2 3.77Å; Y488-F500 HydrophobicContact CD1-CG 4.26Å; Y488-F500 HydrophobicContact CD2-CD2 4.41Å; Y488-F500 HydrophobicContact CE1-CB 3.73Å; Y488-F500 HydrophobicContact CE1-CD2 4.46Å; Y488-F500 HydrophobicContact CG-CB 4.45Å; Y488-F500 AromaticContact CG-CD2 3.73Å; Y488-F500 HydrophobicContact CG-CD2 3.73Å; Y488-F503 HydrophobicContact CD2-CB 4.01Å; Y488-F503 AromaticContact CD2-CD1 3.66Å; Y488-F503 HydrophobicContact CD2-CD1 3.66Å; Y488-F503 HydrophobicContact CD2-CD2 4.01Å; Y488-F503 HydrophobicContact CD2-CE1 4.02Å; Y488-F503 HydrophobicContact CD2-CE2 4.35Å; Y488-F503 AromaticContact CD2-CG 3.64Å; Y488-F503 HydrophobicContact CD2-CG 3.64Å; Y488-F503 HydrophobicContact CD2-CZ 4.33Å; Y488-F503 HydrophobicContact CE2-CB 3.91Å; Y488-F503 HydrophobicContact CE2-CD1 4.39Å; Y488-F503 HydrophobicContact CE2-CD2 4.16Å; Y488-F503 AromaticContact CE2-CG 3.92Å; Y488-F503 HydrophobicContact CE2-CG 3.92Å; Y488-F503 HydrophobicContact CG-CD1 4.42Å
489	W	94	Very high	92.6	Very high	121 Å²	121	42.4 Å²	42.4	46%	0.458	24%	0.24	S	C	.	.	H	α-helix	trans	-75.9	-37.6	-178.1	-62.7	113.6	0	0	0	112.6	C487 G492 F500	C487-W489 PolarHBondContact O-N 3.42Å; W489-G492 PolarHBondContact O-N 3.34Å; W489-F500 HydrophobicContact CZ2-CB 4.4Å
490	T	93.2	Very high	92.7	Very high	68 Å²	68	44 Å²	44	42%	0.417	25%	0.247	S	C	.	.	H	α-helix	trans	-68.9	-38.4	-179.7	-52	0	0	0	0	111.9	I402 V486 C487 G492	I402-T490 HydrophobicContact CD1-CG2 4.23Å; I402-T490 HydrophobicContact CG1-CG2 4.39Å; I402-T490 HydrophobicContact CG2-CG2 3.66Å; V486-T490 WeakPolarHBondContact O-CB 3.45Å; V486-T490 PolarHBondContact O-N 2.96Å; V486-T490 PolarHBondContact O-OG1 3.35Å; C487-T490 PolarHBondContact O-N 3.39Å; T490-G492 VanDerWaalsContact C-N 3.28Å; T490-G492 PolarHBondContact O-N 3.48Å
491	L	91.3	Very high	92.7	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-75.1	-18.8	178	-66	167.1	0	0	0	112.4	I402 L405 L406 V408 L423 C487 L493	I402-L491 HydrophobicContact CB-CD2 4.49Å; I402-L491 HydrophobicContact CG1-CD1 4.41Å; I402-L491 HydrophobicContact CG1-CD2 3.94Å; I402-L491 HydrophobicContact CG1-CG 3.99Å; L405-L491 HydrophobicContact CB-CD2 4.35Å; L406-L491 VanDerWaalsContact O-CD2 3.31Å; L406-L491 WeakPolarHBondContact O-CD2 3.27Å; V408-L491 WeakPolarHBondContact CB-O 3.38Å; V408-L491 HydrophobicContact CG2-CB 4.29Å; V408-L491 WeakPolarHBondContact CG2-O 3.46Å; V408-L491 PolarHBondContact N-O 2.61Å; L423-L491 HydrophobicContact CD1-CD1 3.53Å; L423-L491 HydrophobicContact CD2-CD1 3.63Å; L423-L491 HydrophobicContact CG-CD1 4.2Å; C487-L491 HydrophobicContact CB-CD1 4.2Å; C487-L491 VanDerWaalsContact O-CB 3.27Å; C487-L491 WeakPolarHBondContact O-CB 3.26Å; C487-L491 WeakPolarHBondContact O-CD1 3.36Å; C487-L491 WeakPolarHBondContact O-CG 3.48Å; C487-L491 PolarHBondContact O-N 3.02Å; L491-L493 HydrophobicContact CB-CD1 4.08Å; L491-L493 HydrophobicContact CD1-CD1 4.43Å
492	G	89.7	Confident	92.8	Very high	20 Å²	20	47.7 Å²	47.7	21%	0.206	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	40.2	178	0	0	0	0	0	113.7	Y488 W489 T490	Y488-G492 PolarHBondContact O-N 2.95Å; W489-G492 PolarHBondContact O-N 3.34Å; T490-G492 VanDerWaalsContact C-N 3.28Å; T490-G492 PolarHBondContact O-N 3.48Å
493	L	89.5	Confident	92.8	Very high	9 Å²	9	44.8 Å²	44.8	5%	0.047	25%	0.249	C	C	.	.			trans	-65.7	177.1	170	-70.3	137.7	0	0	0	110.7	L423 Y488 L491 F503 E580	L423-L493 HydrophobicContact CD2-CD1 4.21Å; L423-L493 HydrophobicContact CD2-CD2 4.15Å; Y488-L493 HydrophobicContact CD2-CB 3.84Å; Y488-L493 HydrophobicContact CD2-CD1 3.65Å; Y488-L493 HydrophobicContact CD2-CG 4.33Å; Y488-L493 HydrophobicContact CE1-CB 4.36Å; Y488-L493 HydrophobicContact CE2-CB 3.59Å; Y488-L493 HydrophobicContact CE2-CD1 4.16Å; Y488-L493 HydrophobicContact CE2-CG 4.38Å; Y488-L493 HydrophobicContact CG-CB 4.32Å; Y488-L493 HydrophobicContact CG-CD1 4.22Å; Y488-L493 PolarHBondContact O-N 3.06Å; L491-L493 HydrophobicContact CB-CD1 4.08Å; L491-L493 HydrophobicContact CD1-CD1 4.43Å; L493-F503 HydrophobicContact CD1-CE2 4.46Å; L493-F503 HydrophobicContact CD1-CZ 4.47Å; L493-E580 WeakPolarHBondContact CB-OE2 3.38Å; L493-E580 HydrophobicContact CD2-CG 3.9Å; L493-E580 VanDerWaalsContact CD2-OE2 3.26Å; L493-E580 WeakPolarHBondContact CD2-OE2 3.39Å
494	Y	90	Very high	92.9	Very high	57 Å²	57	45.3 Å²	45.3	22%	0.224	25%	0.253	C	S	.	.			trans	-50.5	127.2	-172.6	-166	-87.1	0	0	0	113.2	Y488 E496 R499 E580 L584	Y488-Y494 VanDerWaalsContact CE1-O 3.3Å; Y488-Y494 WeakPolarHBondContact CE1-O 3.39Å; Y488-Y494 PolarHBondContact OH-O 3.12Å; Y494-E496 HydrophobicContact CD1-CB 3.73Å; Y494-E496 HydrophobicContact CE1-CB 3.74Å; Y494-E496 WeakPolarHBondContact CE1-OE2 3.38Å; Y494-E496 PolarHBondContact O-N 3.5Å; Y494-R499 VanDerWaalsContact CD1-CD 3.43Å; Y494-R499 HydrophobicContact CD1-CG 4.29Å; Y494-R499 VanDerWaalsContact CD1-NE 3.35Å; Y494-E580 PolarHBondContact N-OE2 3.37Å; Y494-L584 HydrophobicContact CD2-CD2 3.84Å; Y494-L584 HydrophobicContact CD2-CG 3.98Å; Y494-L584 HydrophobicContact CE2-CD2 4.39Å
495	P	86.6	Confident	93.1	Very high	103 Å²	103	46.8 Å²	46.8	67%	0.669	27%	0.265	S	S	*	.			trans	-78.6	25.7	-160.5	31.1	-37.1	0	0	0	116.4
496	E	92	Very high	93.2	Very high	90 Å²	90	44.6 Å²	44.6	42%	0.421	25%	0.25	S	C	.	.			trans	-107.3	130.4	-173.7	-174.3	171	-159.5	0	0	112.8	Y494 A498 R499 F500	Y494-E496 HydrophobicContact CD1-CB 3.73Å; Y494-E496 HydrophobicContact CE1-CB 3.74Å; Y494-E496 WeakPolarHBondContact CE1-OE2 3.38Å; Y494-E496 PolarHBondContact O-N 3.5Å; E496-A498 VanDerWaalsContact C-N 3.31Å; E496-A498 HydrophobicContact CG-CB 4.4Å; E496-A498 PolarHBondContact O-N 3.02Å; E496-R499 HydrophobicContact CB-CB 4.44Å; E496-R499 HydrophobicContact CB-CG 4.09Å; E496-R499 HydrophobicContact CG-CG 4.4Å; E496-R499 WeakPolarHBondContact O-CB 3.49Å; E496-R499 PolarHBondContact O-N 2.84Å; E496-R499 IonicContact OE2-NE 3.98Å; E496-R499 PolarHBondContact OE2-NE 3.19Å; E496-F500 PolarHBondContact O-N 3.31Å; E496-F500 VanDerWaalsContact O-N 3.09Å
497	V	93	Very high	93.3	Very high	105 Å²	105	42.2 Å²	42.2	64%	0.636	24%	0.236	S	C	*	.	H	α-helix	trans	-62.6	-35.3	-174.2	-178.3	0	0	0	0	112.5	R499 F500 G501	V497-R499 VanDerWaalsContact C-N 3.3Å; V497-R499 PolarHBondContact O-N 2.81Å; V497-F500 WeakPolarHBondContact O-CB 3.45Å; V497-F500 PolarHBondContact O-N 3.3Å; V497-G501 PolarHBondContact O-N 3.08Å
498	A	94.4	Very high	93.5	Very high	53 Å²	53	43.3 Å²	43.3	44%	0.438	24%	0.241	S	C	.	.	H	α-helix	trans	-62	-40	176	0	0	0	0	0	111.6	E496 G501 Y502	E496-A498 VanDerWaalsContact C-N 3.31Å; E496-A498 HydrophobicContact CG-CB 4.4Å; E496-A498 PolarHBondContact O-N 3.02Å; A498-G501 WeakPolarHBondContact O-CA 3.37Å; A498-G501 PolarHBondContact O-N 2.68Å; A498-G501 VanDerWaalsContact O-N 3.12Å; A498-Y502 VanDerWaalsContact O-CD2 3.28Å; A498-Y502 WeakPolarHBondContact O-CD2 3.45Å; A498-Y502 PolarHBondContact O-N 3.32Å
499	R	93.1	Very high	93.6	Very high	25 Å²	25	43.2 Å²	43.2	9%	0.094	24%	0.241	C	C	.	.	H	α-helix	trans	-72.1	-32.3	179	-59.3	-155.5	-164.4	-170.7	1.6	113	Y488 Y494 E496 V497 G501 Y502 F503 N579 Y582	Y488-R499 WeakPolarHBondContact OH-CB 3.44Å; Y494-R499 VanDerWaalsContact CD1-CD 3.43Å; Y494-R499 HydrophobicContact CD1-CG 4.29Å; Y494-R499 VanDerWaalsContact CD1-NE 3.35Å; E496-R499 HydrophobicContact CB-CB 4.44Å; E496-R499 HydrophobicContact CB-CG 4.09Å; E496-R499 HydrophobicContact CG-CG 4.4Å; E496-R499 WeakPolarHBondContact O-CB 3.49Å; E496-R499 PolarHBondContact O-N 2.84Å; E496-R499 IonicContact OE2-NE 3.98Å; E496-R499 PolarHBondContact OE2-NE 3.19Å; V497-R499 VanDerWaalsContact C-N 3.3Å; V497-R499 PolarHBondContact O-N 2.81Å; R499-G501 VanDerWaalsContact C-N 3.31Å; R499-Y502 PolarHBondContact O-N 3.45Å; R499-F503 VanDerWaalsContact O-CB 3.31Å; R499-F503 WeakPolarHBondContact O-CB 3.4Å; R499-F503 PolarHBondContact O-N 3.44Å; R499-N579 WeakPolarHBondContact CA-OD1 3.41Å; R499-N579 WeakPolarHBondContact CB-OD1 3.18Å; R499-N579 VanDerWaalsContact CD-O 3.23Å; R499-N579 WeakPolarHBondContact CD-O 3.34Å; R499-N579 PolarHBondContact NH1-O 3.46Å; R499-N579 PolarHBondContact O-ND2 2.82Å; R499-Y582 VanDerWaalsContact CZ-O 3.22Å; R499-Y582 PolarHBondContact NH1-O 3Å; R499-Y582 PolarHBondContact NH2-O 2.93Å
500	F	95.4	Very high	93.7	Very high	35 Å²	35	37.5 Å²	37.5	15%	0.154	22%	0.219	C	C	.	.	H	α-helix	trans	-59.4	-43.4	166.1	166.8	-105.7	0	0	0	111.6	Y488 W489 E496 V497 F503 S504	Y488-F500 HydrophobicContact CD1-CB 3.87Å; Y488-F500 AromaticContact CD1-CD2 3.77Å; Y488-F500 HydrophobicContact CD1-CD2 3.77Å; Y488-F500 HydrophobicContact CD1-CG 4.26Å; Y488-F500 HydrophobicContact CD2-CD2 4.41Å; Y488-F500 HydrophobicContact CE1-CB 3.73Å; Y488-F500 HydrophobicContact CE1-CD2 4.46Å; Y488-F500 HydrophobicContact CG-CB 4.45Å; Y488-F500 AromaticContact CG-CD2 3.73Å; Y488-F500 HydrophobicContact CG-CD2 3.73Å; W489-F500 HydrophobicContact CZ2-CB 4.4Å; E496-F500 PolarHBondContact O-N 3.31Å; E496-F500 VanDerWaalsContact O-N 3.09Å; V497-F500 WeakPolarHBondContact O-CB 3.45Å; V497-F500 PolarHBondContact O-N 3.3Å; F500-F503 PolarHBondContact O-N 2.87Å; F500-S504 WeakPolarHBondContact CE2-OG 3.1Å; F500-S504 WeakPolarHBondContact CZ-OG 3.42Å; F500-S504 WeakPolarHBondContact O-CB 3.26Å; F500-S504 PolarHBondContact O-N 3.11Å; F500-S504 PolarHBondContact O-OG 2.87Å
501	G	95.3	Very high	93.8	Very high	34 Å²	34	34.2 Å²	34.2	35%	0.351	20%	0.199	S	C	.	.	H	α-helix	trans	-59	-48	175.1	0	0	0	0	0	112.6	V497 A498 R499 S504 A505	V497-G501 PolarHBondContact O-N 3.08Å; A498-G501 WeakPolarHBondContact O-CA 3.37Å; A498-G501 PolarHBondContact O-N 2.68Å; A498-G501 VanDerWaalsContact O-N 3.12Å; R499-G501 VanDerWaalsContact C-N 3.31Å; G501-S504 PolarHBondContact O-N 3.06Å; G501-A505 WeakPolarHBondContact O-CB 3.42Å; G501-A505 PolarHBondContact O-N 3.25Å
502	Y	95.6	Very high	94.1	Very high	115 Å²	115	34.5 Å²	34.5	45%	0.451	20%	0.201	S	C	.	.	H	α-helix	trans	-63.5	-40.7	176	-64.4	-48	0	0	0	112.8	A498 R499 A505 A506 F621 F625	A498-Y502 VanDerWaalsContact O-CD2 3.28Å; A498-Y502 WeakPolarHBondContact O-CD2 3.45Å; A498-Y502 PolarHBondContact O-N 3.32Å; R499-Y502 PolarHBondContact O-N 3.45Å; Y502-A505 PolarHBondContact O-N 2.91Å; Y502-A506 VanDerWaalsContact O-CB 3.25Å; Y502-A506 WeakPolarHBondContact O-CB 3.34Å; Y502-A506 PolarHBondContact O-N 3.28Å; Y502-F621 HydrophobicContact CD1-CE1 4.45Å; Y502-F621 HydrophobicContact CD2-CE1 4.39Å; Y502-F621 HydrophobicContact CD2-CZ 4.26Å; Y502-F621 HydrophobicContact CG-CE1 4.38Å; Y502-F621 HydrophobicContact CG-CZ 4.17Å; Y502-F625 HydrophobicContact CD1-CE2 4.09Å; Y502-F625 HydrophobicContact CD1-CZ 4.07Å; Y502-F625 HydrophobicContact CG-CZ 4.47Å
503	F	95.6	Very high	94.4	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.018	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-46.6	175.3	177.9	-93.4	0	0	0	111.6	L424 L427 Y488 L493 R499 F500 A506 L507 L576	L424-F503 HydrophobicContact CD2-CE2 4.3Å; L427-F503 HydrophobicContact CD1-CE2 3.79Å; L427-F503 HydrophobicContact CD1-CZ 3.59Å; Y488-F503 HydrophobicContact CD2-CB 4.01Å; Y488-F503 AromaticContact CD2-CD1 3.66Å; Y488-F503 HydrophobicContact CD2-CD1 3.66Å; Y488-F503 HydrophobicContact CD2-CD2 4.01Å; Y488-F503 HydrophobicContact CD2-CE1 4.02Å; Y488-F503 HydrophobicContact CD2-CE2 4.35Å; Y488-F503 AromaticContact CD2-CG 3.64Å; Y488-F503 HydrophobicContact CD2-CG 3.64Å; Y488-F503 HydrophobicContact CD2-CZ 4.33Å; Y488-F503 HydrophobicContact CE2-CB 3.91Å; Y488-F503 HydrophobicContact CE2-CD1 4.39Å; Y488-F503 HydrophobicContact CE2-CD2 4.16Å; Y488-F503 AromaticContact CE2-CG 3.92Å; Y488-F503 HydrophobicContact CE2-CG 3.92Å; Y488-F503 HydrophobicContact CG-CD1 4.42Å; L493-F503 HydrophobicContact CD1-CE2 4.46Å; L493-F503 HydrophobicContact CD1-CZ 4.47Å; R499-F503 VanDerWaalsContact O-CB 3.31Å; R499-F503 WeakPolarHBondContact O-CB 3.4Å; R499-F503 PolarHBondContact O-N 3.44Å; F500-F503 PolarHBondContact O-N 2.87Å; F503-A506 PolarHBondContact O-N 3.45Å; F503-L507 HydrophobicContact CD1-CD1 3.96Å; F503-L507 HydrophobicContact CD2-CD1 4.49Å; F503-L507 HydrophobicContact CE1-CD1 3.4Å; F503-L507 VanDerWaalsContact CE1-CD1 3.4Å; F503-L507 HydrophobicContact CE2-CD1 4Å; F503-L507 HydrophobicContact CG-CD1 4.48Å; F503-L507 HydrophobicContact CZ-CD1 3.44Å; F503-L507 VanDerWaalsContact CZ-CD1 3.44Å; F503-L507 WeakPolarHBondContact O-CG 3.41Å; F503-L507 PolarHBondContact O-N 2.9Å; F503-L507 VanDerWaalsContact O-N 3.09Å; F503-L576 HydrophobicContact CD2-CD2 3.56Å; F503-L576 HydrophobicContact CE2-CD2 4.07Å; F503-L576 HydrophobicContact CG-CD2 4.35Å
504	S	96.1	Very high	94.7	Very high	13 Å²	13	33.2 Å²	33.2	9%	0.091	19%	0.189	C	C	.	.	H	α-helix	trans	-62.9	-44.2	178.3	-54.6	0	0	0	0	111.7	T480 S484 F500 G501 L507 L508	T480-S504 WeakPolarHBondContact CG2-O 3.42Å; S484-S504 WeakPolarHBondContact CB-OG 3.3Å; S484-S504 PolarHBondContact OG-OG 3.45Å; F500-S504 WeakPolarHBondContact CE2-OG 3.1Å; F500-S504 WeakPolarHBondContact CZ-OG 3.42Å; F500-S504 WeakPolarHBondContact O-CB 3.26Å; F500-S504 PolarHBondContact O-N 3.11Å; F500-S504 PolarHBondContact O-OG 2.87Å; G501-S504 PolarHBondContact O-N 3.06Å; S504-L507 PolarHBondContact O-N 3.12Å; S504-L508 PolarHBondContact O-N 2.91Å
505	A	96.4	Very high	95	Very high	31 Å²	31	30.5 Å²	30.5	26%	0.256	18%	0.179	S	C	.	.	H	α-helix	trans	-66.6	-36.9	176.4	0	0	0	0	0	112.3	G501 Y502 L507 L508 F625 Y629	G501-A505 WeakPolarHBondContact O-CB 3.42Å; G501-A505 PolarHBondContact O-N 3.25Å; Y502-A505 PolarHBondContact O-N 2.91Å; A505-L507 VanDerWaalsContact C-N 3.33Å; A505-L507 PolarHBondContact O-N 3.24Å; A505-L508 PolarHBondContact O-N 2.8Å; A505-F625 HydrophobicContact CB-CE1 3.96Å; A505-Y629 PolarHBondContact O-OH 3.41Å
506	A	96.2	Very high	95.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.8	-35.8	177.6	0	0	0	0	0	111.9	Y502 F503 P510 C572 I575 L576 F625	Y502-A506 VanDerWaalsContact O-CB 3.25Å; Y502-A506 WeakPolarHBondContact O-CB 3.34Å; Y502-A506 PolarHBondContact O-N 3.28Å; F503-A506 PolarHBondContact O-N 3.45Å; A506-P510 WeakPolarHBondContact O-CD 3.25Å; A506-C572 PolarHBondContact O-SG 3.45Å; A506-C572 VanDerWaalsContact O-SG 3.34Å; A506-I575 HydrophobicContact CB-CG2 3.81Å; A506-L576 HydrophobicContact CB-CD2 3.76Å; A506-L576 HydrophobicContact CB-CG 4.11Å; A506-F625 HydrophobicContact CB-CE1 4.45Å; A506-F625 HydrophobicContact CB-CZ 4.4Å
507	L	95.4	Very high	95.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-83.3	-23.2	179.5	-64.2	-178.9	0	0	0	114.1	L427 T431 T480 F483 F503 S504 A505 A509 H511 L576	L427-L507 HydrophobicContact CB-CD1 4.48Å; L427-L507 HydrophobicContact CB-CD2 3.95Å; L427-L507 HydrophobicContact CD1-CD1 4.37Å; L427-L507 HydrophobicContact CD2-CD1 4.48Å; T431-L507 HydrophobicContact CG2-CB 4.3Å; T431-L507 HydrophobicContact CG2-CD2 4.34Å; T480-L507 HydrophobicContact CG2-CB 4.24Å; F483-L507 HydrophobicContact CE1-CD1 3.78Å; F503-L507 HydrophobicContact CD1-CD1 3.96Å; F503-L507 HydrophobicContact CD2-CD1 4.49Å; F503-L507 HydrophobicContact CE1-CD1 3.4Å; F503-L507 VanDerWaalsContact CE1-CD1 3.4Å; F503-L507 HydrophobicContact CE2-CD1 4Å; F503-L507 HydrophobicContact CG-CD1 4.48Å; F503-L507 HydrophobicContact CZ-CD1 3.44Å; F503-L507 VanDerWaalsContact CZ-CD1 3.44Å; F503-L507 WeakPolarHBondContact O-CG 3.41Å; F503-L507 PolarHBondContact O-N 2.9Å; F503-L507 VanDerWaalsContact O-N 3.09Å; S504-L507 PolarHBondContact O-N 3.12Å; A505-L507 VanDerWaalsContact C-N 3.33Å; A505-L507 PolarHBondContact O-N 3.24Å; L507-A509 VanDerWaalsContact C-N 3.34Å; L507-H511 PolarHBondContact O-N 3.38Å; L507-L576 HydrophobicContact CD2-CD1 3.89Å
508	L	96.5	Very high	95.9	Very high	24 Å²	24	18.2 Å²	18.2	13%	0.126	11%	0.107	C	C	.	.	H	α-helix	trans	-63.5	-41.4	174.8	176.9	61.7	0	0	0	111.4	S476 I477 T480 S504 A505 H511 L512	S476-L508 WeakPolarHBondContact O-CD1 3.31Å; I477-L508 HydrophobicContact CG1-CD1 4.1Å; I477-L508 HydrophobicContact CG1-CD2 3.82Å; T480-L508 HydrophobicContact CG2-CB 4Å; S504-L508 PolarHBondContact O-N 2.91Å; A505-L508 PolarHBondContact O-N 2.8Å; L508-H511 PolarHBondContact O-N 3.25Å; L508-L512 HydrophobicContact CD1-CD1 4.02Å; L508-L512 HydrophobicContact CD1-CG 4.07Å; L508-L512 HydrophobicContact CG-CD1 3.97Å; L508-L512 HydrophobicContact CG-CG 4.39Å; L508-L512 WeakPolarHBondContact O-CG 3.32Å; L508-L512 PolarHBondContact O-N 3.44Å
509	A	96.6	Very high	95.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.9	-51.4	-175.2	0	0	0	0	0	113.1	L507 H511 L512 I513 L628 Y629 I632	L507-A509 VanDerWaalsContact C-N 3.34Å; A509-H511 VanDerWaalsContact C-N 3.27Å; A509-H511 PolarHBondContact O-N 3.48Å; A509-L512 PolarHBondContact O-N 3.45Å; A509-I513 WeakPolarHBondContact O-CB 3.35Å; A509-I513 WeakPolarHBondContact O-CD1 3.37Å; A509-I513 WeakPolarHBondContact O-CG1 3.33Å; A509-I513 PolarHBondContact O-N 2.82Å; A509-L628 HydrophobicContact CB-CD1 4.1Å; A509-L628 HydrophobicContact CB-CD2 3.89Å; A509-L628 HydrophobicContact CB-CG 3.65Å; A509-Y629 HydrophobicContact CB-CD2 4.2Å; A509-Y629 HydrophobicContact CB-CE1 4.25Å; A509-Y629 HydrophobicContact CB-CE2 3.9Å; A509-I632 HydrophobicContact CB-CD1 4.2Å
510	P	95.8	Very high	96.1	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-55.8	-39.1	172.8	-26.3	33.5	0	0	0	113.4	T431 P432 A506 I513 G514 F568 C572	T431-P510 WeakPolarHBondContact OG1-CB 3.08Å; P432-P510 VanDerWaalsContact CA-O 3.25Å; P432-P510 WeakPolarHBondContact CA-O 3.39Å; P432-P510 WeakPolarHBondContact CB-O 3.46Å; A506-P510 WeakPolarHBondContact O-CD 3.25Å; P510-I513 PolarHBondContact O-N 3.05Å; P510-G514 PolarHBondContact O-N 3.08Å; P510-F568 HydrophobicContact CB-CD2 4.39Å; P510-F568 HydrophobicContact CB-CE2 4.05Å; P510-C572 HydrophobicContact CG-CB 4.23Å; P510-C572 VanDerWaalsContact CG-SG 3.58Å
511	H	95.8	Very high	96.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.3	-45.9	176.9	-172.4	67.6	0	0	0	112.2	T431 T434 G435 N438 L507 L508 A509 E515	T431-H511 VanDerWaalsContact O-CA 3.3Å; T431-H511 WeakPolarHBondContact O-CA 2.94Å; T431-H511 PolarHBondContact O-ND1 3.45Å; T431-H511 VanDerWaalsContact O-ND1 3.11Å; T434-H511 PolarHBondContact OG1-CE1 3.39Å; T434-H511 VanDerWaalsContact OG1-CE1 3.27Å; T434-H511 PolarHBondContact OG1-ND1 2.85Å; G435-H511 WeakPolarHBondContact CA-O 3.27Å; G435-H511 PolarHBondContact N-CE1 3.18Å; G435-H511 PolarHBondContact N-ND1 2.95Å; N438-H511 PolarHBondContact ND2-NE2 3.21Å; L507-H511 PolarHBondContact O-N 3.38Å; L508-H511 PolarHBondContact O-N 3.25Å; A509-H511 VanDerWaalsContact C-N 3.27Å; A509-H511 PolarHBondContact O-N 3.48Å; H511-E515 PolarHBondContact O-N 3.28Å
512	L	96.8	Very high	96	Very high	6 Å²	6	13 Å²	13	3%	0.031	7%	0.067	C	C	.	.	H	α-helix	trans	-68.4	-38.3	174.9	-67.8	177.3	0	0	0	112.7	L473 L508 A509 E515 F516 I632	L473-L512 HydrophobicContact CD2-CD1 3.72Å; L473-L512 HydrophobicContact CD2-CD2 3.85Å; L473-L512 HydrophobicContact CD2-CG 4.45Å; L508-L512 HydrophobicContact CD1-CD1 4.02Å; L508-L512 HydrophobicContact CD1-CG 4.07Å; L508-L512 HydrophobicContact CG-CD1 3.97Å; L508-L512 HydrophobicContact CG-CG 4.39Å; L508-L512 WeakPolarHBondContact O-CG 3.32Å; L508-L512 PolarHBondContact O-N 3.44Å; A509-L512 PolarHBondContact O-N 3.45Å; L512-E515 PolarHBondContact O-N 3.49Å; L512-F516 HydrophobicContact CB-CD2 4.34Å; L512-F516 HydrophobicContact CB-CE2 3.94Å; L512-F516 HydrophobicContact CB-CZ 4.49Å; L512-F516 HydrophobicContact CD2-CE2 4.25Å; L512-F516 HydrophobicContact CD2-CZ 4Å; L512-F516 VanDerWaalsContact O-CD2 3.28Å; L512-F516 WeakPolarHBondContact O-CD2 2.94Å; L512-F516 VanDerWaalsContact O-CG 3.28Å; L512-F516 WeakPolarHBondContact O-CG 3.49Å; L512-F516 PolarHBondContact O-N 2.6Å; L512-I632 HydrophobicContact CB-CD1 4Å; L512-I632 HydrophobicContact CB-CG1 4.23Å; L512-I632 HydrophobicContact CD1-CD1 3.94Å
513	I	96.7	Very high	95.7	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.01	5%	0.047	C	C	.	.	H	α-helix	trans	-61.9	-46.4	177.6	-72.1	165.2	0	0	0	110.4	A509 P510 E515 F516 L517 F568 L628 F631 I632 L635	A509-I513 WeakPolarHBondContact O-CB 3.35Å; A509-I513 WeakPolarHBondContact O-CD1 3.37Å; A509-I513 WeakPolarHBondContact O-CG1 3.33Å; A509-I513 PolarHBondContact O-N 2.82Å; P510-I513 PolarHBondContact O-N 3.05Å; I513-E515 VanDerWaalsContact C-N 3.31Å; I513-E515 PolarHBondContact O-N 3.29Å; I513-F516 PolarHBondContact O-N 3.32Å; I513-L517 WeakPolarHBondContact O-CB 3.3Å; I513-L517 PolarHBondContact O-N 3.45Å; I513-F568 HydrophobicContact CD1-CB 3.71Å; I513-F568 HydrophobicContact CD1-CD1 4.41Å; I513-F568 HydrophobicContact CD1-CD2 4.01Å; I513-F568 HydrophobicContact CD1-CG 3.79Å; I513-F568 HydrophobicContact CG2-CD1 3.57Å; I513-F568 HydrophobicContact CG2-CD2 4.36Å; I513-F568 HydrophobicContact CG2-CE1 3.52Å; I513-F568 HydrophobicContact CG2-CE2 4.34Å; I513-F568 HydrophobicContact CG2-CG 4Å; I513-F568 HydrophobicContact CG2-CZ 3.93Å; I513-L628 HydrophobicContact CD1-CD1 4.13Å; I513-F631 HydrophobicContact CD1-CB 3.79Å; I513-F631 HydrophobicContact CD1-CG 4.43Å; I513-F631 HydrophobicContact CG1-CB 4.03Å; I513-I632 HydrophobicContact CG1-CG1 3.92Å; I513-L635 HydrophobicContact CB-CD1 4.34Å; I513-L635 HydrophobicContact CG1-CD1 4.4Å; I513-L635 HydrophobicContact CG2-CD1 3.88Å
514	G	95.6	Very high	95.5	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.01	8%	0.076	C	C	.	.	H	α-helix	trans	-58.2	-45.5	175.3	0	0	0	0	0	111.6	P432 P510 T518	P432-G514 WeakPolarHBondContact O-CA 3.04Å; P510-G514 PolarHBondContact O-N 3.08Å; G514-T518 WeakPolarHBondContact O-CB 3.43Å; G514-T518 PolarHBondContact O-N 2.81Å; G514-T518 VanDerWaalsContact O-N 3.12Å; G514-T518 PolarHBondContact O-OG1 3.08Å
515	E	96	Very high	95.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63	-49.2	178.5	-165.5	162.5	-167.9	0	0	112.4	R390 G435 N438 A439 Y468 S476 H511 L512 I513 T518 L519	R390-E515 IonicContact CZ-OE1 3.89Å; R390-E515 VanDerWaalsContact CZ-OE1 3.24Å; R390-E515 IonicContact NH1-OE1 3.95Å; R390-E515 PolarHBondContact NH1-OE1 3.01Å; R390-E515 VanDerWaalsContact NH2-CD 3.28Å; R390-E515 IonicContact NH2-OE1 3.96Å; R390-E515 PolarHBondContact NH2-OE1 3.48Å; R390-E515 IonicContact NH2-OE2 3.26Å; R390-E515 PolarHBondContact NH2-OE2 3.47Å; G435-E515 VanDerWaalsContact O-CA 3.26Å; G435-E515 WeakPolarHBondContact O-CA 3.43Å; G435-E515 WeakPolarHBondContact O-CB 3.46Å; G435-E515 WeakPolarHBondContact O-CG 3.42Å; N438-E515 HydrophobicContact CB-CG 4.43Å; A439-E515 HydrophobicContact CB-CG 3.88Å; Y468-E515 HydrophobicContact CE1-CG 4.22Å; Y468-E515 PolarHBondContact OH-OE1 3.46Å; S476-E515 PolarHBondContact OG-OE2 3.42Å; S476-E515 VanDerWaalsContact OG-OE2 3.13Å; H511-E515 PolarHBondContact O-N 3.28Å; L512-E515 PolarHBondContact O-N 3.49Å; I513-E515 VanDerWaalsContact C-N 3.31Å; I513-E515 PolarHBondContact O-N 3.29Å; E515-T518 WeakPolarHBondContact O-CB 3.41Å; E515-T518 PolarHBondContact O-N 3.31Å; E515-L519 WeakPolarHBondContact O-CG 3.28Å; E515-L519 PolarHBondContact O-N 3.15Å; E515-L519 VanDerWaalsContact O-N 3.11Å
516	F	96.6	Very high	94.8	Very high	3 Å²	3	20 Å²	20	1%	0.013	10%	0.102	C	C	.	.	H	α-helix	trans	-75.3	-33.1	-177	-57.6	-28.4	0	0	0	113.5	V469 L473 L512 I513 T518 L519 V520 I632 L635 V636	V469-F516 HydrophobicContact CB-CE1 4.17Å; V469-F516 HydrophobicContact CG1-CE1 3.88Å; V469-F516 HydrophobicContact CG1-CE2 4.35Å; V469-F516 HydrophobicContact CG1-CZ 3.75Å; V469-F516 HydrophobicContact CG2-CD1 4.02Å; V469-F516 HydrophobicContact CG2-CE1 3.92Å; L473-F516 HydrophobicContact CD2-CZ 4.12Å; L512-F516 HydrophobicContact CB-CD2 4.34Å; L512-F516 HydrophobicContact CB-CE2 3.94Å; L512-F516 HydrophobicContact CB-CZ 4.49Å; L512-F516 HydrophobicContact CD2-CE2 4.25Å; L512-F516 HydrophobicContact CD2-CZ 4Å; L512-F516 VanDerWaalsContact O-CD2 3.28Å; L512-F516 WeakPolarHBondContact O-CD2 2.94Å; L512-F516 VanDerWaalsContact O-CG 3.28Å; L512-F516 WeakPolarHBondContact O-CG 3.49Å; L512-F516 PolarHBondContact O-N 2.6Å; I513-F516 PolarHBondContact O-N 3.32Å; F516-T518 VanDerWaalsContact C-N 3.32Å; F516-T518 PolarHBondContact O-N 3.5Å; F516-L519 HydrophobicContact CD1-CD1 3.78Å; F516-L519 HydrophobicContact CE1-CD1 4.48Å; F516-L519 WeakPolarHBondContact O-CB 3.26Å; F516-L519 PolarHBondContact O-N 3.01Å; F516-V520 WeakPolarHBondContact O-CG2 3.27Å; F516-V520 PolarHBondContact O-N 3.32Å; F516-I632 HydrophobicContact CD2-CG2 3.84Å; F516-I632 HydrophobicContact CE2-CG2 3.59Å; F516-L635 HydrophobicContact CB-CB 4.07Å; F516-L635 HydrophobicContact CB-CD1 4.49Å; F516-V636 HydrophobicContact CD2-CG2 3.95Å; F516-V636 HydrophobicContact CE2-CG2 4.23Å; F516-V636 HydrophobicContact CG-CG2 4.25Å
517	L	96.2	Very high	94.6	Very high	37 Å²	37	23.6 Å²	23.6	19%	0.194	12%	0.121	C	C	.	.	H	α-helix	trans	-60.9	-43.7	171.3	177.7	62.3	0	0	0	110.9	I513 L519 V520 L521 V535 L538 L635	I513-L517 WeakPolarHBondContact O-CB 3.3Å; I513-L517 PolarHBondContact O-N 3.45Å; L517-L519 VanDerWaalsContact C-N 3.31Å; L517-L519 PolarHBondContact O-N 3.32Å; L517-V520 PolarHBondContact O-N 3.27Å; L517-L521 HydrophobicContact CD1-CD1 4.34Å; L517-L521 HydrophobicContact CG-CD1 4.27Å; L517-L521 PolarHBondContact O-N 3.25Å; L517-V535 HydrophobicContact CD2-CG1 4.41Å; L517-V535 HydrophobicContact CG-CG2 4.5Å; L517-L538 HydrophobicContact CD2-CD1 4.47Å; L517-L635 HydrophobicContact CB-CD1 4.35Å; L517-L635 HydrophobicContact CB-CD2 4.38Å; L517-L635 HydrophobicContact CD1-CD2 4.06Å
518	T	96.8	Very high	94.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.9	-41.1	173.5	-62.9	0	0	0	0	111.9	M436 A439 V440 G514 E515 F516 L521 L522 V531	M436-T518 WeakPolarHBondContact CA-OG1 3.39Å; M436-T518 WeakPolarHBondContact CB-OG1 3.4Å; M436-T518 HydrophobicContact CG-CG2 4.32Å; M436-T518 VanDerWaalsContact CG-OG1 3.31Å; M436-T518 WeakPolarHBondContact CG-OG1 3.38Å; A439-T518 HydrophobicContact CB-CG2 3.53Å; V440-T518 HydrophobicContact CG2-CG2 3.41Å; V440-T518 VanDerWaalsContact CG2-CG2 3.41Å; G514-T518 WeakPolarHBondContact O-CB 3.43Å; G514-T518 PolarHBondContact O-N 2.81Å; G514-T518 VanDerWaalsContact O-N 3.12Å; G514-T518 PolarHBondContact O-OG1 3.08Å; E515-T518 WeakPolarHBondContact O-CB 3.41Å; E515-T518 PolarHBondContact O-N 3.31Å; F516-T518 VanDerWaalsContact C-N 3.32Å; F516-T518 PolarHBondContact O-N 3.5Å; T518-L521 PolarHBondContact O-N 3.47Å; T518-L522 HydrophobicContact CG2-CD1 3.89Å; T518-L522 HydrophobicContact CG2-CG 4.3Å; T518-L522 WeakPolarHBondContact O-CB 3.39Å; T518-L522 WeakPolarHBondContact O-CG 3.42Å; T518-L522 PolarHBondContact O-N 3.31Å; T518-V531 HydrophobicContact CG2-CG1 3.98Å
519	L	95.9	Very high	94.3	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-62.5	-44.2	176.7	-66.6	174.9	0	0	0	112.7	A439 F443 L465 Y468 V469 E515 F516 L517 L521 L522 G523 F643	A439-L519 HydrophobicContact CB-CD2 4.05Å; A439-L519 HydrophobicContact CB-CG 4.25Å; F443-L519 HydrophobicContact CB-CD2 3.68Å; F443-L519 HydrophobicContact CD1-CD2 3.73Å; F443-L519 HydrophobicContact CD2-CD2 3.36Å; F443-L519 HydrophobicContact CE1-CD2 4.2Å; F443-L519 HydrophobicContact CE2-CD2 3.85Å; F443-L519 HydrophobicContact CG-CD2 3.27Å; F443-L519 HydrophobicContact CZ-CD2 4.24Å; L465-L519 HydrophobicContact CD1-CB 3.74Å; L465-L519 HydrophobicContact CD1-CD1 3.88Å; L465-L519 HydrophobicContact CD1-CD2 4.37Å; L465-L519 HydrophobicContact CD1-CG 4.22Å; Y468-L519 HydrophobicContact CD1-CD1 3.34Å; Y468-L519 HydrophobicContact CD1-CD2 3.76Å; Y468-L519 HydrophobicContact CD1-CG 4.12Å; Y468-L519 HydrophobicContact CE1-CD1 3.57Å; Y468-L519 HydrophobicContact CE1-CD2 3.72Å; Y468-L519 HydrophobicContact CE1-CG 4.05Å; Y468-L519 HydrophobicContact CG-CD1 4.42Å; Y468-L519 HydrophobicContact CG-CD2 4.35Å; V469-L519 HydrophobicContact CG2-CD1 4.02Å; E515-L519 WeakPolarHBondContact O-CG 3.28Å; E515-L519 PolarHBondContact O-N 3.15Å; E515-L519 VanDerWaalsContact O-N 3.11Å; F516-L519 HydrophobicContact CD1-CD1 3.78Å; F516-L519 HydrophobicContact CE1-CD1 4.48Å; F516-L519 WeakPolarHBondContact O-CB 3.26Å; F516-L519 PolarHBondContact O-N 3.01Å; L517-L519 VanDerWaalsContact C-N 3.31Å; L517-L519 PolarHBondContact O-N 3.32Å; L519-L521 VanDerWaalsContact C-N 3.31Å; L519-L521 PolarHBondContact O-N 3.28Å; L519-L522 PolarHBondContact O-N 3.46Å; L519-G523 PolarHBondContact O-N 3.01Å; L519-F643 WeakPolarHBondContact O-CE2 3.41Å
520	V	96	Very high	94.3	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.042	18%	0.176	C	C	.	.	H	α-helix	trans	-56.8	-48.6	175.9	174	0	0	0	0	109.8	F516 L517 G523 M524 L635 L638 V642	F516-V520 WeakPolarHBondContact O-CG2 3.27Å; F516-V520 PolarHBondContact O-N 3.32Å; L517-V520 PolarHBondContact O-N 3.27Å; V520-G523 WeakPolarHBondContact O-CA 3.48Å; V520-G523 PolarHBondContact O-N 3.15Å; V520-M524 PolarHBondContact O-N 3.19Å; V520-L635 HydrophobicContact CG2-CD2 4.44Å; V520-L635 VanDerWaalsContact CG2-O 3.31Å; V520-L635 WeakPolarHBondContact CG2-O 3.18Å; V520-L638 HydrophobicContact CG1-CD2 3.96Å; V520-L638 HydrophobicContact CG1-CG 4.02Å; V520-V642 HydrophobicContact CG1-CG2 4.12Å
521	L	95.5	Very high	94.2	Very high	28 Å²	28	33.7 Å²	33.7	15%	0.147	18%	0.176	C	C	.	.	H	α-helix	trans	-67.8	-35.1	179.5	-74.6	166	0	0	0	112.9	L517 T518 L519 G523 M524 V525 V531 I534 V535 L538	L517-L521 HydrophobicContact CD1-CD1 4.34Å; L517-L521 HydrophobicContact CG-CD1 4.27Å; L517-L521 PolarHBondContact O-N 3.25Å; T518-L521 PolarHBondContact O-N 3.47Å; L519-L521 VanDerWaalsContact C-N 3.31Å; L519-L521 PolarHBondContact O-N 3.28Å; L521-G523 PolarHBondContact O-N 3.16Å; L521-M524 PolarHBondContact O-N 3.41Å; L521-M524 VanDerWaalsContact O-N 3.11Å; L521-V525 WeakPolarHBondContact O-CB 3.21Å; L521-V525 PolarHBondContact O-N 3.38Å; L521-V531 HydrophobicContact CB-CG1 3.64Å; L521-V531 HydrophobicContact CB-CG2 4.21Å; L521-V531 HydrophobicContact CD1-CG1 4.47Å; L521-I534 HydrophobicContact CD1-CG2 4.06Å; L521-V535 HydrophobicContact CD1-CG2 3.33Å; L521-L538 HydrophobicContact CD1-CD1 4.44Å
522	L	93.9	Very high	94.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.1	-22.1	170.6	-75.3	169.8	0	0	0	112.4	F443 R447 T518 L519 P528 V531 R646	F443-L522 HydrophobicContact CB-CD1 4.04Å; F443-L522 HydrophobicContact CD1-CB 4.13Å; F443-L522 HydrophobicContact CD1-CD1 3.91Å; F443-L522 HydrophobicContact CE1-CB 4.5Å; F443-L522 HydrophobicContact CG-CD1 4.41Å; R447-L522 WeakPolarHBondContact CD-O 3.31Å; R447-L522 PolarHBondContact NH1-O 2.92Å; T518-L522 HydrophobicContact CG2-CD1 3.89Å; T518-L522 HydrophobicContact CG2-CG 4.3Å; T518-L522 WeakPolarHBondContact O-CB 3.39Å; T518-L522 WeakPolarHBondContact O-CG 3.42Å; T518-L522 PolarHBondContact O-N 3.31Å; L519-L522 PolarHBondContact O-N 3.46Å; L522-P528 HydrophobicContact CD2-CB 4.02Å; L522-P528 HydrophobicContact CD2-CG 4.29Å; L522-V531 HydrophobicContact CD2-CB 4.23Å; L522-V531 HydrophobicContact CD2-CG1 4.44Å; L522-V531 HydrophobicContact CD2-CG2 4Å; L522-V531 HydrophobicContact CG-CG1 4.19Å; L522-V531 HydrophobicContact CG-CG2 4.37Å; L522-R646 PolarHBondContact O-NH1 2.87Å; L522-R646 VanDerWaalsContact O-NH1 3.15Å
523	G	90.5	Very high	94.1	Very high	4 Å²	4	39 Å²	39	4%	0.041	21%	0.211	C	C	.	.	H	α-helix	trans	-68.7	-40.5	169	0	0	0	0	0	112.5	L519 V520 L521 F643 R646	L519-G523 PolarHBondContact O-N 3.01Å; V520-G523 WeakPolarHBondContact O-CA 3.48Å; V520-G523 PolarHBondContact O-N 3.15Å; L521-G523 PolarHBondContact O-N 3.16Å; G523-F643 VanDerWaalsContact CA-CZ 3.42Å; G523-R646 PolarHBondContact O-NH1 2.85Å
524	M	90.7	Very high	94	Very high	128 Å²	128	42 Å²	42	63%	0.631	23%	0.226	S	C	*	.	H	α-helix	trans	-86.5	-45.2	-176.9	-60.6	177.4	67	0	0	113.4	V520 L521 V642	V520-M524 PolarHBondContact O-N 3.19Å; L521-M524 PolarHBondContact O-N 3.41Å; L521-M524 VanDerWaalsContact O-N 3.11Å; M524-V642 HydrophobicContact CG-CG1 3.63Å; M524-V642 HydrophobicContact CG-CG2 4.18Å; M524-V642 HydrophobicContact SD-CG2 4.39Å
525	V	92	Very high	94	Very high	40 Å²	40	41.9 Å²	41.9	24%	0.242	23%	0.226	C	C	.	.			trans	-105	126.6	-174.7	-179.6	0	0	0	0	109.2	R447 L521 I530 V531	R447-V525 PolarHBondContact NH1-O 3.33Å; L521-V525 WeakPolarHBondContact O-CB 3.21Å; L521-V525 PolarHBondContact O-N 3.38Å; V525-I530 HydrophobicContact CG1-CB 4.24Å; V525-I530 HydrophobicContact CG1-CG2 4.19Å; V525-V531 HydrophobicContact CB-CG2 3.67Å; V525-V531 HydrophobicContact CG1-CG2 3.87Å
526	Q	85.7	Confident	93.9	Very high	137 Å²	137	42.8 Å²	42.8	64%	0.64	23%	0.233	S	C	*	.	S	Bend	trans	-78.9	-31.6	-174.7	-67.4	-179	-3.7	0	0	113	R447 P528	R447-Q526 PolarHBondContact NH1-O 3.23Å; R447-Q526 PolarHBondContact NH2-O 3.14Å; Q526-P528 VanDerWaalsContact O-CD 3.32Å; Q526-P528 WeakPolarHBondContact O-CD 3.33Å
527	N	92.4	Very high	93.8	Very high	76 Å²	76	48.1 Å²	48.1	41%	0.406	26%	0.261	S	S	.	.			trans	-85.4	114.4	-178.7	-169.7	-31.7	0	0	0	111.4	N529 I530 V531	N527-N529 VanDerWaalsContact C-N 3.3Å; N527-N529 PolarHBondContact O-N 2.84Å; N527-N529 WeakPolarHBondContact OD1-CB 3.38Å; N527-N529 PolarHBondContact OD1-N 2.96Å; N527-I530 HydrophobicContact CB-CB 4.39Å; N527-I530 HydrophobicContact CB-CD1 3.89Å; N527-I530 HydrophobicContact CB-CG1 4.01Å; N527-I530 PolarHBondContact O-N 2.61Å; N527-V531 PolarHBondContact O-N 3.42Å
528	P	92.4	Very high	93.6	Very high	32 Å²	32	50.6 Å²	50.6	21%	0.208	27%	0.274	C	S	.	.	H	α-helix	trans	-63	-31.8	-177.8	-21.7	34.4	0	0	0	114	V440 P444 L522 Q526 I530 V531 N532	V440-P528 HydrophobicContact CG1-CB 4.05Å; P444-P528 HydrophobicContact CB-CG 4.02Å; P444-P528 HydrophobicContact CG-CB 4Å; P444-P528 HydrophobicContact CG-CG 3.69Å; L522-P528 HydrophobicContact CD2-CB 4.02Å; L522-P528 HydrophobicContact CD2-CG 4.29Å; Q526-P528 VanDerWaalsContact O-CD 3.32Å; Q526-P528 WeakPolarHBondContact O-CD 3.33Å; P528-I530 VanDerWaalsContact C-N 3.35Å; P528-I530 PolarHBondContact O-N 3.5Å; P528-V531 PolarHBondContact O-N 3.41Å; P528-N532 PolarHBondContact O-N 3.41Å
529	N	93.4	Very high	93.4	Very high	118 Å²	118	50.7 Å²	50.7	63%	0.631	28%	0.275	S	S	*	.	H	α-helix	trans	-66.8	-38.8	-179.2	-69.8	-25	0	0	0	111.7	N527 V531 N532 S533	N527-N529 VanDerWaalsContact C-N 3.3Å; N527-N529 PolarHBondContact O-N 2.84Å; N527-N529 WeakPolarHBondContact OD1-CB 3.38Å; N527-N529 PolarHBondContact OD1-N 2.96Å; N529-V531 VanDerWaalsContact C-N 3.32Å; N529-V531 PolarHBondContact O-N 3.2Å; N529-N532 WeakPolarHBondContact O-CB 3.25Å; N529-N532 PolarHBondContact O-N 2.89Å; N529-S533 PolarHBondContact O-N 3.34Å; N529-S533 VanDerWaalsContact O-N 3.15Å; N529-S533 PolarHBondContact O-OG 3.11Å
530	I	95	Very high	93.2	Very high	86 Å²	86	55.3 Å²	55.3	44%	0.441	30%	0.298	S	S	.	.	H	α-helix	trans	-64.1	-41.7	175.3	-61	-179.6	0	0	0	110	V525 N527 P528 N532 S533 I534	V525-I530 HydrophobicContact CG1-CB 4.24Å; V525-I530 HydrophobicContact CG1-CG2 4.19Å; N527-I530 HydrophobicContact CB-CB 4.39Å; N527-I530 HydrophobicContact CB-CD1 3.89Å; N527-I530 HydrophobicContact CB-CG1 4.01Å; N527-I530 PolarHBondContact O-N 2.61Å; P528-I530 VanDerWaalsContact C-N 3.35Å; P528-I530 PolarHBondContact O-N 3.5Å; I530-N532 VanDerWaalsContact C-N 3.33Å; I530-N532 PolarHBondContact O-N 3.42Å; I530-S533 PolarHBondContact O-N 2.82Å; I530-I534 HydrophobicContact CG2-CD1 3.75Å; I530-I534 HydrophobicContact CG2-CG1 4.38Å; I530-I534 WeakPolarHBondContact O-CG1 3.3Å; I530-I534 PolarHBondContact O-N 3.23Å
531	V	95.3	Very high	93	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.4	-43.4	176.9	177.2	0	0	0	0	111.2	T518 L521 L522 V525 N527 P528 N529 S533 I534 V535	T518-V531 HydrophobicContact CG2-CG1 3.98Å; L521-V531 HydrophobicContact CB-CG1 3.64Å; L521-V531 HydrophobicContact CB-CG2 4.21Å; L521-V531 HydrophobicContact CD1-CG1 4.47Å; L522-V531 HydrophobicContact CD2-CB 4.23Å; L522-V531 HydrophobicContact CD2-CG1 4.44Å; L522-V531 HydrophobicContact CD2-CG2 4Å; L522-V531 HydrophobicContact CG-CG1 4.19Å; L522-V531 HydrophobicContact CG-CG2 4.37Å; V525-V531 HydrophobicContact CB-CG2 3.67Å; V525-V531 HydrophobicContact CG1-CG2 3.87Å; N527-V531 PolarHBondContact O-N 3.42Å; P528-V531 PolarHBondContact O-N 3.41Å; N529-V531 VanDerWaalsContact C-N 3.32Å; N529-V531 PolarHBondContact O-N 3.2Å; V531-S533 VanDerWaalsContact C-N 3.35Å; V531-S533 PolarHBondContact O-N 3Å; V531-I534 PolarHBondContact O-N 3.29Å; V531-V535 HydrophobicContact CG1-CG2 4.04Å; V531-V535 WeakPolarHBondContact O-CG2 3.41Å; V531-V535 PolarHBondContact O-N 2.89Å
532	N	94.1	Very high	92.8	Very high	39 Å²	39	56.5 Å²	56.5	21%	0.209	31%	0.31	C	S	.	.	H	α-helix	trans	-56.4	-48.2	176.7	-169.4	61.9	0	0	0	111.7	M436 V440 P528 N529 I530 I534 V535 A536	M436-N532 WeakPolarHBondContact CE-OD1 3.28Å; M436-N532 PolarHBondContact SD-OD1 3.24Å; V440-N532 HydrophobicContact CG1-CB 4.41Å; V440-N532 HydrophobicContact CG2-CB 4.22Å; P528-N532 PolarHBondContact O-N 3.41Å; N529-N532 WeakPolarHBondContact O-CB 3.25Å; N529-N532 PolarHBondContact O-N 2.89Å; I530-N532 VanDerWaalsContact C-N 3.33Å; I530-N532 PolarHBondContact O-N 3.42Å; N532-I534 PolarHBondContact O-N 3.06Å; N532-V535 PolarHBondContact O-N 3.41Å; N532-A536 VanDerWaalsContact O-CB 3.3Å; N532-A536 WeakPolarHBondContact O-CB 2.86Å; N532-A536 PolarHBondContact O-N 3.01Å
533	S	95.4	Very high	92.7	Very high	80 Å²	80	56.7 Å²	56.7	56%	0.559	31%	0.311	S	S	*	.	H	α-helix	trans	-62.6	-42.4	177.5	-59	0	0	0	0	112.8	N529 I530 V531 L537	N529-S533 PolarHBondContact O-N 3.34Å; N529-S533 VanDerWaalsContact O-N 3.15Å; N529-S533 PolarHBondContact O-OG 3.11Å; I530-S533 PolarHBondContact O-N 2.82Å; V531-S533 VanDerWaalsContact C-N 3.35Å; V531-S533 PolarHBondContact O-N 3Å; S533-L537 WeakPolarHBondContact O-CB 3.26Å; S533-L537 PolarHBondContact O-N 3.29Å; S533-L537 VanDerWaalsContact O-N 3.09Å
534	I	95.2	Very high	92.7	Very high	63 Å²	63	60.5 Å²	60.5	32%	0.323	33%	0.331	S	S	.	.	H	α-helix	trans	-65.2	-46.9	179.7	-69.9	170.1	0	0	0	111.1	L521 I530 V531 N532 L537 L538	L521-I534 HydrophobicContact CD1-CG2 4.06Å; I530-I534 HydrophobicContact CG2-CD1 3.75Å; I530-I534 HydrophobicContact CG2-CG1 4.38Å; I530-I534 WeakPolarHBondContact O-CG1 3.3Å; I530-I534 PolarHBondContact O-N 3.23Å; V531-I534 PolarHBondContact O-N 3.29Å; N532-I534 PolarHBondContact O-N 3.06Å; I534-L537 PolarHBondContact O-N 3.09Å; I534-L538 HydrophobicContact CG2-CD1 3.68Å; I534-L538 HydrophobicContact CG2-CG 4.4Å; I534-L538 WeakPolarHBondContact O-CB 3.43Å; I534-L538 WeakPolarHBondContact O-CG 3.03Å; I534-L538 PolarHBondContact O-N 3.09Å
535	V	94.5	Very high	92.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-69.7	-38.3	-177.2	176.1	0	0	0	0	111.5	M436 L517 L521 V531 N532 L537 L538 S539	M436-V535 HydrophobicContact CB-CG1 3.78Å; M436-V535 HydrophobicContact CG-CB 3.9Å; M436-V535 HydrophobicContact CG-CG1 3.73Å; M436-V535 HydrophobicContact SD-CB 3.55Å; M436-V535 VanDerWaalsContact SD-CB 3.55Å; M436-V535 HydrophobicContact SD-CG1 3.67Å; L517-V535 HydrophobicContact CD2-CG1 4.41Å; L517-V535 HydrophobicContact CG-CG2 4.5Å; L521-V535 HydrophobicContact CD1-CG2 3.33Å; V531-V535 HydrophobicContact CG1-CG2 4.04Å; V531-V535 WeakPolarHBondContact O-CG2 3.41Å; V531-V535 PolarHBondContact O-N 2.89Å; N532-V535 PolarHBondContact O-N 3.41Å; V535-L537 VanDerWaalsContact C-N 3.35Å; V535-L538 PolarHBondContact O-N 3.34Å; V535-S539 WeakPolarHBondContact O-CB 3.5Å; V535-S539 PolarHBondContact O-N 2.85Å; V535-S539 PolarHBondContact O-OG 2.75Å
536	A	94.1	Very high	92.4	Very high	18 Å²	18	54.2 Å²	54.2	15%	0.149	30%	0.298	C	S	.	.	H	α-helix	trans	-59.9	-46.3	173.5	0	0	0	0	0	111.2	Y433 M436 N532 S539 I540	Y433-A536 HydrophobicContact CD2-CB 4.12Å; Y433-A536 HydrophobicContact CE2-CB 3.88Å; M436-A536 HydrophobicContact CE-CB 4.42Å; M436-A536 HydrophobicContact SD-CB 4.26Å; N532-A536 VanDerWaalsContact O-CB 3.3Å; N532-A536 WeakPolarHBondContact O-CB 2.86Å; N532-A536 PolarHBondContact O-N 3.01Å; A536-S539 PolarHBondContact O-N 2.74Å; A536-I540 WeakPolarHBondContact O-CG1 3.4Å; A536-I540 PolarHBondContact O-N 2.91Å; A536-I540 VanDerWaalsContact O-N 3.09Å
537	L	94.9	Very high	92.5	Very high	116 Å²	116	47.8 Å²	47.8	61%	0.607	27%	0.268	S	S	*	.	H	α-helix	trans	-62.7	-48	177.4	-174	64.5	0	0	0	111.7	S533 I534 V535 S539 I540 S541	S533-L537 WeakPolarHBondContact O-CB 3.26Å; S533-L537 PolarHBondContact O-N 3.29Å; S533-L537 VanDerWaalsContact O-N 3.09Å; I534-L537 PolarHBondContact O-N 3.09Å; V535-L537 VanDerWaalsContact C-N 3.35Å; L537-S539 VanDerWaalsContact C-N 3.3Å; L537-S539 PolarHBondContact O-N 2.71Å; L537-I540 PolarHBondContact O-N 3.36Å; L537-S541 VanDerWaalsContact O-CB 3.26Å; L537-S541 WeakPolarHBondContact O-CB 3.42Å; L537-S541 PolarHBondContact O-N 3.42Å; L537-S541 PolarHBondContact O-OG 2.91Å
538	L	93	Very high	92	Very high	89 Å²	89	44.3 Å²	44.3	47%	0.466	25%	0.25	S	C	.	.	H	α-helix	trans	-58.2	-41.7	177	-78	164.8	0	0	0	112.2	L517 L521 I534 V535 G542	L517-L538 HydrophobicContact CD2-CD1 4.47Å; L521-L538 HydrophobicContact CD1-CD1 4.44Å; I534-L538 HydrophobicContact CG2-CD1 3.68Å; I534-L538 HydrophobicContact CG2-CG 4.4Å; I534-L538 WeakPolarHBondContact O-CB 3.43Å; I534-L538 WeakPolarHBondContact O-CG 3.03Å; I534-L538 PolarHBondContact O-N 3.09Å; V535-L538 PolarHBondContact O-N 3.34Å; L538-G542 PolarHBondContact O-N 3.5Å
539	S	92	Very high	91.6	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.014	25%	0.246	C	C	.	.	H	α-helix	trans	-66.4	-44.6	-178.3	-58.4	0	0	0	0	111.7	V535 A536 L537 L543 Q569	V535-S539 WeakPolarHBondContact O-CB 3.5Å; V535-S539 PolarHBondContact O-N 2.85Å; V535-S539 PolarHBondContact O-OG 2.75Å; A536-S539 PolarHBondContact O-N 2.74Å; L537-S539 VanDerWaalsContact C-N 3.3Å; L537-S539 PolarHBondContact O-N 2.71Å; S539-L543 PolarHBondContact O-N 3.37Å; S539-Q569 PolarHBondContact O-NE2 2.83Å
540	I	91.3	Very high	91.1	Very high	99 Å²	99	43.5 Å²	43.5	51%	0.508	24%	0.241	S	C	.	.	H	α-helix	trans	-73.4	-46.2	-179.8	-65	168.5	0	0	0	111.2	A536 L537 G542 L543 L544	A536-I540 WeakPolarHBondContact O-CG1 3.4Å; A536-I540 PolarHBondContact O-N 2.91Å; A536-I540 VanDerWaalsContact O-N 3.09Å; L537-I540 PolarHBondContact O-N 3.36Å; I540-G542 VanDerWaalsContact C-N 3.31Å; I540-G542 PolarHBondContact O-N 3.36Å; I540-L543 WeakPolarHBondContact O-CB 3.33Å; I540-L543 PolarHBondContact O-N 3.33Å; I540-L543 VanDerWaalsContact O-N 3.17Å; I540-L544 PolarHBondContact O-N 3.36Å
541	S	92	Very high	90.4	Very high	50 Å²	50	45.2 Å²	45.2	35%	0.35	24%	0.242	S	C	.	.	H	α-helix	trans	-63.4	-39.1	178	-61.9	0	0	0	0	111.7	L537 L543 L544 I545	L537-S541 VanDerWaalsContact O-CB 3.26Å; L537-S541 WeakPolarHBondContact O-CB 3.42Å; L537-S541 PolarHBondContact O-N 3.42Å; L537-S541 PolarHBondContact O-OG 2.91Å; S541-L543 VanDerWaalsContact C-N 3.31Å; S541-L543 PolarHBondContact O-N 3.18Å; S541-L544 PolarHBondContact O-N 2.85Å; S541-I545 WeakPolarHBondContact O-CG1 3.33Å; S541-I545 PolarHBondContact O-N 3.09Å
542	G	91.9	Very high	89.7	Confident	9 Å²	9	46.5 Å²	46.5	9%	0.093	25%	0.249	C	C	.	.	H	α-helix	trans	-63	-36.2	174.5	0	0	0	0	0	112.7	L538 I540 G546	L538-G542 PolarHBondContact O-N 3.5Å; I540-G542 VanDerWaalsContact C-N 3.31Å; I540-G542 PolarHBondContact O-N 3.36Å; G542-G546 WeakPolarHBondContact O-CA 3.44Å; G542-G546 PolarHBondContact O-N 3.42Å
543	L	91.7	Very high	88.7	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-67.8	-42.4	175.8	-177.2	70.5	0	0	0	112.4	Y425 V428 S539 I540 S541 I545 S547 Q569	Y425-L543 HydrophobicContact CD1-CD2 3.75Å; Y425-L543 HydrophobicContact CD2-CD1 4.2Å; Y425-L543 HydrophobicContact CD2-CD2 3.87Å; Y425-L543 HydrophobicContact CD2-CG 3.88Å; Y425-L543 HydrophobicContact CE1-CD2 3.42Å; Y425-L543 VanDerWaalsContact CE1-CD2 3.42Å; Y425-L543 HydrophobicContact CE1-CG 4.29Å; Y425-L543 HydrophobicContact CE2-CD1 4.26Å; Y425-L543 HydrophobicContact CE2-CD2 3.55Å; Y425-L543 HydrophobicContact CE2-CG 3.47Å; Y425-L543 VanDerWaalsContact CE2-CG 3.47Å; Y425-L543 HydrophobicContact CG-CD2 3.95Å; Y425-L543 HydrophobicContact CG-CG 4.43Å; Y425-L543 WeakPolarHBondContact O-CD2 3.36Å; V428-L543 HydrophobicContact CB-CD1 3.91Å; V428-L543 HydrophobicContact CG1-CD1 3.77Å; S539-L543 PolarHBondContact O-N 3.37Å; I540-L543 WeakPolarHBondContact O-CB 3.33Å; I540-L543 PolarHBondContact O-N 3.33Å; I540-L543 VanDerWaalsContact O-N 3.17Å; S541-L543 VanDerWaalsContact C-N 3.31Å; S541-L543 PolarHBondContact O-N 3.18Å; L543-I545 VanDerWaalsContact C-N 3.29Å; L543-I545 PolarHBondContact O-N 2.61Å; L543-S547 WeakPolarHBondContact O-CB 3.47Å; L543-S547 PolarHBondContact O-N 3.44Å; L543-S547 PolarHBondContact O-OG 3.31Å; L543-Q569 HydrophobicContact CB-CG 4.18Å; L543-Q569 HydrophobicContact CD1-CB 4.38Å; L543-Q569 HydrophobicContact CD1-CG 4.37Å
544	L	90.5	Very high	87.9	Confident	85 Å²	85	47.4 Å²	47.4	45%	0.445	24%	0.243	S	C	.	.	H	α-helix	trans	-59.4	-40.6	179.4	-177.3	66	0	0	0	112	I540 S541 I550	I540-L544 PolarHBondContact O-N 3.36Å; S541-L544 PolarHBondContact O-N 2.85Å; L544-I550 HydrophobicContact CD1-CB 4.19Å; L544-I550 HydrophobicContact CD1-CD1 3.49Å; L544-I550 VanDerWaalsContact CD1-CD1 3.49Å; L544-I550 HydrophobicContact CD1-CG1 4.42Å; L544-I550 HydrophobicContact CD1-CG2 3.93Å
545	I	90	Very high	87.3	Confident	36 Å²	36	50.9 Å²	50.9	19%	0.185	26%	0.258	C	S	.	.	H	α-helix	trans	-88	-37.6	-177.2	-56.7	168.8	0	0	0	111.3	S541 L543 M556 L560 L563	S541-I545 WeakPolarHBondContact O-CG1 3.33Å; S541-I545 PolarHBondContact O-N 3.09Å; L543-I545 VanDerWaalsContact C-N 3.29Å; L543-I545 PolarHBondContact O-N 2.61Å; I545-M556 HydrophobicContact CG2-SD 4.27Å; I545-M556 WeakPolarHBondContact O-CE 3.45Å; I545-L560 HydrophobicContact CD1-CD2 4.1Å; I545-L560 HydrophobicContact CG2-CB 4.32Å; I545-L560 WeakPolarHBondContact CG2-O 3.18Å; I545-L563 HydrophobicContact CG2-CB 4.38Å
546	G	86.3	Confident	86.8	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-86.7	-31.5	-170.4	0	0	0	0	0	115.4	G542 G548 T567 K570	G542-G546 WeakPolarHBondContact O-CA 3.44Å; G542-G546 PolarHBondContact O-N 3.42Å; G546-G548 PolarHBondContact O-N 3.35Å; G546-T567 WeakPolarHBondContact CA-OG1 3.48Å; G546-K570 WeakPolarHBondContact O-CA 3.38Å; G546-K570 VanDerWaalsContact O-CB 3.26Å; G546-K570 WeakPolarHBondContact O-CB 3.4Å
547	S	86.4	Confident	86.5	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.007	27%	0.273	C	S	.	.	S	Bend	trans	-68.3	-28.9	-167.4	59.1	0	0	0	0	115.3	L543 F549 C573	L543-S547 WeakPolarHBondContact O-CB 3.47Å; L543-S547 PolarHBondContact O-N 3.44Å; L543-S547 PolarHBondContact O-OG 3.31Å; S547-F549 PolarHBondContact O-N 3.27Å; S547-F549 PolarHBondContact OG-N 2.99Å; S547-C573 VanDerWaalsContact CB-SG 3.51Å
548	G	82.4	Confident	86.3	Confident	3 Å²	3	54 Å²	54	3%	0.031	28%	0.275	C	S	.	.	S	Bend	trans	73.3	-3.4	-170.3	0	0	0	0	0	115	G546 R551	G546-G548 PolarHBondContact O-N 3.35Å; G548-R551 CarbonylContact C-O 3.56Å; G548-R551 WeakPolarHBondContact CA-O 3.24Å
549	F	83.5	Confident	86.1	Confident	31 Å²	31	53.8 Å²	53.8	14%	0.136	28%	0.279	C	S	.	.	S	Bend	trans	-79.3	-47.9	-175.5	-66.2	-37.9	0	0	0	113.7	V421 L424 Y425 S547 C573 V577	V421-F549 HydrophobicContact CG1-CB 3.77Å; V421-F549 HydrophobicContact CG1-CD1 3.71Å; V421-F549 HydrophobicContact CG1-CD2 4.29Å; V421-F549 HydrophobicContact CG1-CE1 4.31Å; V421-F549 HydrophobicContact CG1-CG 3.69Å; V421-F549 HydrophobicContact CG2-CD1 4.42Å; V421-F549 HydrophobicContact CG2-CE1 4.46Å; L424-F549 HydrophobicContact CB-CE2 3.97Å; L424-F549 HydrophobicContact CB-CZ 3.99Å; L424-F549 HydrophobicContact CD1-CZ 4.28Å; Y425-F549 HydrophobicContact CD2-CB 4.22Å; Y425-F549 AromaticContact CD2-CD2 3.96Å; Y425-F549 HydrophobicContact CD2-CD2 3.96Å; Y425-F549 HydrophobicContact CG-CD2 4.45Å; S547-F549 PolarHBondContact O-N 3.27Å; S547-F549 PolarHBondContact OG-N 2.99Å; F549-C573 HydrophobicContact CE2-CB 4.14Å; F549-C573 HydrophobicContact CZ-CB 4.25Å; F549-V577 HydrophobicContact CE1-CG2 3.28Å; F549-V577 HydrophobicContact CZ-CG2 3.35Å
550	I	83.3	Confident	86	Confident	102 Å²	102	56.6 Å²	56.6	52%	0.523	29%	0.293	S	S	.	.	S	Bend	trans	-77.6	-36.5	-178.7	-68.3	176.1	0	0	0	110.7	Y425 L544	Y425-I550 HydrophobicContact CD2-CD1 4.37Å; Y425-I550 HydrophobicContact CD2-CG1 4.44Å; Y425-I550 HydrophobicContact CE1-CD1 4.39Å; Y425-I550 HydrophobicContact CE2-CD1 3.42Å; Y425-I550 VanDerWaalsContact CE2-CD1 3.42Å; Y425-I550 HydrophobicContact CE2-CG1 3.87Å; Y425-I550 VanDerWaalsContact CZ-CD1 3.45Å; Y425-I550 VanDerWaalsContact OH-CD1 3.27Å; Y425-I550 WeakPolarHBondContact OH-CD1 3.46Å; L544-I550 HydrophobicContact CD1-CB 4.19Å; L544-I550 HydrophobicContact CD1-CD1 3.49Å; L544-I550 VanDerWaalsContact CD1-CD1 3.49Å; L544-I550 HydrophobicContact CD1-CG1 4.42Å; L544-I550 HydrophobicContact CD1-CG2 3.93Å
551	R	81.2	Confident	85.8	Confident	122 Å²	122	55 Å²	55	46%	0.46	28%	0.283	S	S	.	.	S	Bend	trans	-141.3	131.5	178.8	-176.3	170.8	-173.6	164.1	7.9	108.8	G548 I553 M556	G548-R551 CarbonylContact C-O 3.56Å; G548-R551 WeakPolarHBondContact CA-O 3.24Å; R551-I553 PolarHBondContact O-N 2.87Å; R551-M556 HydrophobicContact CB-CE 3.65Å; R551-M556 HydrophobicContact CB-CG 4.43Å; R551-M556 HydrophobicContact CG-CE 4.06Å; R551-M556 HydrophobicContact CG-CG 3.79Å; R551-M556 WeakPolarHBondContact O-CE 3.28Å
552	N	79.6	Confident	85.7	Confident	27 Å²	27	57.1 Å²	57.1	14%	0.144	29%	0.289	C	S	.	.			trans	-65.1	132.2	-175.7	-148.1	6.7	0	0	0	109.8	E554 E555 M556 K612 T613	N552-E554 PolarHBondContact O-N 3.37Å; N552-E555 HydrophobicContact CB-CB 4.26Å; N552-E555 HydrophobicContact CB-CG 4.17Å; N552-E555 PolarHBondContact O-N 3.05Å; N552-M556 PolarHBondContact O-N 3.45Å; N552-K612 PolarHBondContact ND2-O 3.33Å; N552-K612 PolarHBondContact OD1-O 3.13Å; N552-K612 VanDerWaalsContact OD1-O 3.13Å; N552-T613 WeakPolarHBondContact OD1-CA 3.36Å; N552-T613 PolarHBondContact OD1-O 3.05Å
553	I	74.9	Confident	85.6	Confident	13 Å²	13	61 Å²	61	7%	0.067	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-61.5	-35.7	-170.4	-62.1	-178.5	0	0	0	110.6	R551 E555 M556 K561 K570	R551-I553 PolarHBondContact O-N 2.87Å; I553-E555 VanDerWaalsContact C-N 3.34Å; I553-E555 PolarHBondContact O-N 3.14Å; I553-M556 PolarHBondContact O-N 3.44Å; I553-K561 WeakPolarHBondContact O-CE 3.37Å; I553-K570 HydrophobicContact CD1-CD 4.49Å; I553-K570 HydrophobicContact CD1-CG 4.3Å; I553-K570 VanDerWaalsContact CD1-NZ 3.32Å
554	E	77.1	Confident	85.3	Confident	125 Å²	125	61 Å²	61	58%	0.584	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-69.4	-31.5	179.6	-59.8	-160.6	150.6	0	0	113.2	N552 M556 K561 P615	N552-E554 PolarHBondContact O-N 3.37Å; E554-M556 VanDerWaalsContact C-N 3.33Å; E554-K561 WeakPolarHBondContact O-CE 3.2Å; E554-K561 PolarHBondContact O-NZ 3.26Å; E554-P615 HydrophobicContact CG-CG 4.34Å; E554-P615 WeakPolarHBondContact OE1-CG 3.11Å
555	E	82.5	Confident	85.3	Confident	136 Å²	136	61.9 Å²	61.9	64%	0.636	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-87.5	-2.1	179.9	-63.4	174.6	-172.7	0	0	112.9	N552 I553	N552-E555 HydrophobicContact CB-CB 4.26Å; N552-E555 HydrophobicContact CB-CG 4.17Å; N552-E555 PolarHBondContact O-N 3.05Å; I553-E555 VanDerWaalsContact C-N 3.34Å; I553-E555 PolarHBondContact O-N 3.14Å
556	M	84.5	Confident	85.4	Confident	13 Å²	13	67.5 Å²	67.5	6%	0.064	33%	0.329	C	S	.	.	S	Bend	trans	-73.2	143.2	175.7	-77.9	-168.2	-177.7	0	0	112	I545 R551 N552 I553 E554 L560 K561	I545-M556 HydrophobicContact CG2-SD 4.27Å; I545-M556 WeakPolarHBondContact O-CE 3.45Å; R551-M556 HydrophobicContact CB-CE 3.65Å; R551-M556 HydrophobicContact CB-CG 4.43Å; R551-M556 HydrophobicContact CG-CE 4.06Å; R551-M556 HydrophobicContact CG-CG 3.79Å; R551-M556 WeakPolarHBondContact O-CE 3.28Å; N552-M556 PolarHBondContact O-N 3.45Å; I553-M556 PolarHBondContact O-N 3.44Å; E554-M556 VanDerWaalsContact C-N 3.33Å; M556-L560 HydrophobicContact SD-CB 4.41Å; M556-K561 HydrophobicContact CB-CB 4.37Å
557	P	88.6	Confident	85.8	Confident	59 Å²	59	68.5 Å²	68.5	38%	0.383	34%	0.335	S	S	.	.			trans	-54	144.1	169.1	-21.9	31.7	0	0	0	111.3	P559 L560 K561	P557-P559 VanDerWaalsContact C-CD 3.44Å; P557-L560 HydrophobicContact CG-CD1 4.42Å; P557-L560 PolarHBondContact O-N 3.49Å; P557-K561 PolarHBondContact O-N 3.38Å
558	I	89.2	Confident	86.2	Confident	127 Å²	127	69.2 Å²	69.2	65%	0.651	34%	0.339	S	S	*	.	H	α-helix	trans	-45.2	-49.1	-174.3	-57	166.4	0	0	0	114.2	L560 K561 I562	I558-L560 PolarHBondContact O-N 2.9Å; I558-K561 WeakPolarHBondContact O-CB 3.38Å; I558-K561 PolarHBondContact O-N 2.92Å; I558-I562 HydrophobicContact CG2-CD1 4.07Å; I558-I562 WeakPolarHBondContact O-CG1 3.27Å; I558-I562 PolarHBondContact O-N 3.07Å
559	P	90.5	Very high	86.8	Confident	86 Å²	86	69.3 Å²	69.3	56%	0.558	34%	0.338	S	S	*	.	H	α-helix	trans	-66.1	-39.5	-177.2	25.1	-34.4	0	0	0	112.8	P557 I562 L563	P557-P559 VanDerWaalsContact C-CD 3.44Å; P559-I562 PolarHBondContact O-N 3.44Å; P559-L563 WeakPolarHBondContact O-CG 3.47Å; P559-L563 PolarHBondContact O-N 3.37Å
560	L	88.3	Confident	87.2	Confident	60 Å²	60	68 Å²	68	31%	0.314	33%	0.332	S	S	.	.	H	α-helix	trans	-69.8	-36.3	177.6	-65	178.1	0	0	0	111.1	I545 M556 P557 I558 I562 L563 G564	I545-L560 HydrophobicContact CD1-CD2 4.1Å; I545-L560 HydrophobicContact CG2-CB 4.32Å; I545-L560 WeakPolarHBondContact CG2-O 3.18Å; M556-L560 HydrophobicContact SD-CB 4.41Å; P557-L560 HydrophobicContact CG-CD1 4.42Å; P557-L560 PolarHBondContact O-N 3.49Å; I558-L560 PolarHBondContact O-N 2.9Å; L560-I562 PolarHBondContact O-N 2.79Å; L560-L563 HydrophobicContact CD2-CD1 4.32Å; L560-L563 PolarHBondContact O-N 3.32Å; L560-G564 PolarHBondContact O-N 3.16Å
561	K	87	Confident	87.8	Confident	66 Å²	66	64.5 Å²	64.5	29%	0.287	31%	0.313	S	S	.	.	H	α-helix	trans	-58.8	-46.6	173.7	-177.4	178.8	-73.5	178	0	111.1	I553 E554 M556 P557 I558 G564 Y565	I553-K561 WeakPolarHBondContact O-CE 3.37Å; E554-K561 WeakPolarHBondContact O-CE 3.2Å; E554-K561 PolarHBondContact O-NZ 3.26Å; M556-K561 HydrophobicContact CB-CB 4.37Å; P557-K561 PolarHBondContact O-N 3.38Å; I558-K561 WeakPolarHBondContact O-CB 3.38Å; I558-K561 PolarHBondContact O-N 2.92Å; K561-G564 PolarHBondContact O-N 3.37Å; K561-Y565 HydrophobicContact CG-CE2 4.09Å; K561-Y565 WeakPolarHBondContact O-CD2 3.26Å; K561-Y565 PolarHBondContact O-N 3.28Å
562	I	90.3	Very high	88.5	Confident	95 Å²	95	58.7 Å²	58.7	49%	0.487	29%	0.291	S	S	.	.	H	α-helix	trans	-62.2	-46.4	176.5	-65.5	166.5	0	0	0	110.9	I558 P559 L560 G564 Y565 F566	I558-I562 HydrophobicContact CG2-CD1 4.07Å; I558-I562 WeakPolarHBondContact O-CG1 3.27Å; I558-I562 PolarHBondContact O-N 3.07Å; P559-I562 PolarHBondContact O-N 3.44Å; L560-I562 PolarHBondContact O-N 2.79Å; I562-G564 VanDerWaalsContact C-N 3.26Å; I562-G564 PolarHBondContact O-N 2.7Å; I562-Y565 PolarHBondContact O-N 2.82Å; I562-Y565 VanDerWaalsContact O-N 3.13Å; I562-F566 HydrophobicContact CG2-CD2 4.37Å; I562-F566 HydrophobicContact CG2-CE2 3.88Å; I562-F566 WeakPolarHBondContact O-CD2 3.49Å
563	L	89.3	Confident	89.2	Confident	91 Å²	91	57.4 Å²	57.4	48%	0.476	28%	0.284	S	S	.	.	H	α-helix	trans	-58.7	-38.8	177	-76.5	168	0	0	0	112	I545 P559 L560 Y565 F566	I545-L563 HydrophobicContact CG2-CB 4.38Å; P559-L563 WeakPolarHBondContact O-CG 3.47Å; P559-L563 PolarHBondContact O-N 3.37Å; L560-L563 HydrophobicContact CD2-CD1 4.32Å; L560-L563 PolarHBondContact O-N 3.32Å; L563-Y565 VanDerWaalsContact C-N 3.27Å; L563-Y565 PolarHBondContact O-N 3.37Å; L563-F566 PolarHBondContact O-N 2.94Å
564	G	86.7	Confident	90	Very high	2 Å²	2	56.8 Å²	56.8	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-55.9	-38.3	175.9	0	0	0	0	0	113.2	L560 K561 I562 F566 T567 K570	L560-G564 PolarHBondContact O-N 3.16Å; K561-G564 PolarHBondContact O-N 3.37Å; I562-G564 VanDerWaalsContact C-N 3.26Å; I562-G564 PolarHBondContact O-N 2.7Å; G564-F566 VanDerWaalsContact C-N 3.26Å; G564-F566 PolarHBondContact O-N 2.73Å; G564-T567 PolarHBondContact O-N 3.48Å; G564-T567 PolarHBondContact O-OG1 3.21Å; G564-K570 WeakPolarHBondContact O-CD 3.44Å
565	Y	90.6	Very high	90.9	Very high	105 Å²	105	50.9 Å²	50.9	41%	0.412	25%	0.253	S	S	.	.	H	α-helix	trans	-67.1	-22.2	177	-76	-80.4	0	0	0	114.1	K561 I562 L563 K570 Y571	K561-Y565 HydrophobicContact CG-CE2 4.09Å; K561-Y565 WeakPolarHBondContact O-CD2 3.26Å; K561-Y565 PolarHBondContact O-N 3.28Å; I562-Y565 PolarHBondContact O-N 2.82Å; I562-Y565 VanDerWaalsContact O-N 3.13Å; L563-Y565 VanDerWaalsContact C-N 3.27Å; L563-Y565 PolarHBondContact O-N 3.37Å; Y565-K570 HydrophobicContact CD1-CD 4.13Å; Y565-K570 VanDerWaalsContact CD1-CE 3.47Å; Y565-K570 HydrophobicContact CE1-CD 4.5Å; Y565-K570 VanDerWaalsContact CE1-CE 3.41Å; Y565-K570 HydrophobicContact CG-CD 4.49Å; Y565-Y571 VanDerWaalsContact O-CE2 3.31Å; Y565-Y571 WeakPolarHBondContact O-CE2 3.23Å; Y565-Y571 PolarHBondContact O-OH 3.4Å
566	F	92.4	Very high	91.5	Very high	153 Å²	153	44.4 Å²	44.4	67%	0.671	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-6.1	176.5	-71.1	-65.7	0	0	0	113.7	I562 L563 G564	I562-F566 HydrophobicContact CG2-CD2 4.37Å; I562-F566 HydrophobicContact CG2-CE2 3.88Å; I562-F566 WeakPolarHBondContact O-CD2 3.49Å; L563-F566 PolarHBondContact O-N 2.94Å; G564-F566 VanDerWaalsContact C-N 3.26Å; G564-F566 PolarHBondContact O-N 2.73Å
567	T	93.7	Very high	91.9	Very high	21 Å²	21	43.8 Å²	43.8	13%	0.129	22%	0.22	C	C	.	.			trans	-89.8	136.9	-178	66.6	0	0	0	0	111.8	G546 G564 Q569 K570 Y571	G546-T567 WeakPolarHBondContact CA-OG1 3.48Å; G564-T567 PolarHBondContact O-N 3.48Å; G564-T567 PolarHBondContact O-OG1 3.21Å; T567-Q569 PolarHBondContact O-N 3.39Å; T567-K570 PolarHBondContact OG1-N 3.03Å; T567-Y571 WeakPolarHBondContact O-CD2 3.48Å; T567-Y571 WeakPolarHBondContact O-CE2 3.41Å
568	F	95	Very high	92.1	Very high	17 Å²	17	41.4 Å²	41.4	8%	0.075	20%	0.204	C	C	.	.	H	α-helix	trans	-67.4	-25.6	171.6	64.7	-93.9	0	0	0	111.6	P432 P510 I513 K570 Y571 C572 L628 F631	P432-F568 HydrophobicContact CB-CE2 4.34Å; P432-F568 HydrophobicContact CB-CZ 4.06Å; P432-F568 HydrophobicContact CG-CE2 4.28Å; P432-F568 HydrophobicContact CG-CZ 4.22Å; P510-F568 HydrophobicContact CB-CD2 4.39Å; P510-F568 HydrophobicContact CB-CE2 4.05Å; I513-F568 HydrophobicContact CD1-CB 3.71Å; I513-F568 HydrophobicContact CD1-CD1 4.41Å; I513-F568 HydrophobicContact CD1-CD2 4.01Å; I513-F568 HydrophobicContact CD1-CG 3.79Å; I513-F568 HydrophobicContact CG2-CD1 3.57Å; I513-F568 HydrophobicContact CG2-CD2 4.36Å; I513-F568 HydrophobicContact CG2-CE1 3.52Å; I513-F568 HydrophobicContact CG2-CE2 4.34Å; I513-F568 HydrophobicContact CG2-CG 4Å; I513-F568 HydrophobicContact CG2-CZ 3.93Å; F568-K570 VanDerWaalsContact C-N 3.31Å; F568-K570 PolarHBondContact O-N 3.33Å; F568-Y571 PolarHBondContact O-N 2.97Å; F568-C572 WeakPolarHBondContact O-CB 3.18Å; F568-C572 PolarHBondContact O-N 3.43Å; F568-L628 HydrophobicContact CB-CD1 4.07Å; F568-F631 HydrophobicContact CB-CD1 4.46Å; F568-F631 HydrophobicContact CB-CD2 3.97Å; F568-F631 HydrophobicContact CB-CE2 4.06Å; F568-F631 HydrophobicContact CB-CG 4.18Å; F568-F631 HydrophobicContact CB-CZ 4.34Å
569	Q	94.8	Very high	92.4	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.019	18%	0.175	C	C	.	.	H	α-helix	trans	-59.3	-40.5	179.1	-67.5	89.9	-27.4	0	0	111.7	V428 S539 L543 T567 C572 C573	V428-Q569 HydrophobicContact CG1-CB 4.12Å; V428-Q569 HydrophobicContact CG1-CG 4.04Å; S539-Q569 PolarHBondContact O-NE2 2.83Å; L543-Q569 HydrophobicContact CB-CG 4.18Å; L543-Q569 HydrophobicContact CD1-CB 4.38Å; L543-Q569 HydrophobicContact CD1-CG 4.37Å; T567-Q569 PolarHBondContact O-N 3.39Å; Q569-C572 PolarHBondContact O-N 2.85Å; Q569-C573 WeakPolarHBondContact O-CB 3.37Å; Q569-C573 PolarHBondContact O-N 3.45Å; Q569-C573 PolarHBondContact O-SG 3.39Å
570	K	92.7	Very high	92.5	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.017	15%	0.149	C	C	.	.	H	α-helix	trans	-55.6	-56.7	176.1	176.9	-179.5	171.6	58.4	0	112.1	G546 I553 G564 Y565 T567 F568 C572 C573 E574	G546-K570 WeakPolarHBondContact O-CA 3.38Å; G546-K570 VanDerWaalsContact O-CB 3.26Å; G546-K570 WeakPolarHBondContact O-CB 3.4Å; I553-K570 HydrophobicContact CD1-CD 4.49Å; I553-K570 HydrophobicContact CD1-CG 4.3Å; I553-K570 VanDerWaalsContact CD1-NZ 3.32Å; G564-K570 WeakPolarHBondContact O-CD 3.44Å; Y565-K570 HydrophobicContact CD1-CD 4.13Å; Y565-K570 VanDerWaalsContact CD1-CE 3.47Å; Y565-K570 HydrophobicContact CE1-CD 4.5Å; Y565-K570 VanDerWaalsContact CE1-CE 3.41Å; Y565-K570 HydrophobicContact CG-CD 4.49Å; T567-K570 PolarHBondContact OG1-N 3.03Å; F568-K570 VanDerWaalsContact C-N 3.31Å; F568-K570 PolarHBondContact O-N 3.33Å; K570-C572 VanDerWaalsContact C-N 3.28Å; K570-C572 PolarHBondContact O-N 3.29Å; K570-C573 PolarHBondContact O-N 2.88Å; K570-E574 WeakPolarHBondContact CE-OE1 3.41Å; K570-E574 IonicContact NZ-OE1 2.66Å; K570-E574 PolarHBondContact NZ-OE1 2.98Å; K570-E574 WeakPolarHBondContact O-CG 3.31Å; K570-E574 PolarHBondContact O-N 2.72Å
571	Y	94.5	Very high	92.6	Very high	28 Å²	28	28.9 Å²	28.9	11%	0.11	13%	0.134	C	C	.	.	H	α-helix	trans	-64	-36.6	-176.8	-55	-76.6	0	0	0	111.5	Y565 T567 F568 I575 I627 F631	Y565-Y571 VanDerWaalsContact O-CE2 3.31Å; Y565-Y571 WeakPolarHBondContact O-CE2 3.23Å; Y565-Y571 PolarHBondContact O-OH 3.4Å; T567-Y571 WeakPolarHBondContact O-CD2 3.48Å; T567-Y571 WeakPolarHBondContact O-CE2 3.41Å; F568-Y571 PolarHBondContact O-N 2.97Å; Y571-I575 VanDerWaalsContact O-CD1 3.27Å; Y571-I575 WeakPolarHBondContact O-CD1 3.37Å; Y571-I575 WeakPolarHBondContact O-CG1 3.16Å; Y571-I575 PolarHBondContact O-N 3.2Å; Y571-I575 VanDerWaalsContact O-N 3.16Å; Y571-I627 HydrophobicContact CD1-CB 4.1Å; Y571-I627 HydrophobicContact CD1-CD1 4.13Å; Y571-I627 HydrophobicContact CD1-CG2 3.83Å; Y571-I627 HydrophobicContact CD2-CG2 3.71Å; Y571-I627 HydrophobicContact CE1-CB 4.28Å; Y571-I627 HydrophobicContact CE1-CD1 3.73Å; Y571-I627 HydrophobicContact CE1-CG2 3.74Å; Y571-I627 HydrophobicContact CE2-CG2 3.64Å; Y571-I627 HydrophobicContact CG-CB 4.3Å; Y571-I627 HydrophobicContact CG-CG2 3.81Å; Y571-F631 HydrophobicContact CD2-CE2 4.18Å; Y571-F631 HydrophobicContact CE2-CE2 4.31Å
572	C	95.7	Very high	92.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66.4	-47	174.9	-170.8	0	0	0	0	112.6	V428 A506 P510 F568 Q569 K570 I575 L576 L628	V428-C572 HydrophobicContact CG1-CB 4.21Å; V428-C572 HydrophobicContact CG2-CB 4.43Å; A506-C572 PolarHBondContact O-SG 3.45Å; A506-C572 VanDerWaalsContact O-SG 3.34Å; P510-C572 HydrophobicContact CG-CB 4.23Å; P510-C572 VanDerWaalsContact CG-SG 3.58Å; F568-C572 WeakPolarHBondContact O-CB 3.18Å; F568-C572 PolarHBondContact O-N 3.43Å; Q569-C572 PolarHBondContact O-N 2.85Å; K570-C572 VanDerWaalsContact C-N 3.28Å; K570-C572 PolarHBondContact O-N 3.29Å; C572-I575 PolarHBondContact O-N 3.29Å; C572-L576 WeakPolarHBondContact O-CG 3.38Å; C572-L576 PolarHBondContact O-N 3.4Å; C572-L628 HydrophobicContact CB-CD1 4.01Å; C572-L628 HydrophobicContact CB-CD2 4.03Å
573	C	93.9	Very high	92.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.7	-45.7	177.5	-73.2	0	0	0	0	111.6	S547 F549 Q569 K570 I575 L576 V577	S547-C573 VanDerWaalsContact CB-SG 3.51Å; F549-C573 HydrophobicContact CE2-CB 4.14Å; F549-C573 HydrophobicContact CZ-CB 4.25Å; Q569-C573 WeakPolarHBondContact O-CB 3.37Å; Q569-C573 PolarHBondContact O-N 3.45Å; Q569-C573 PolarHBondContact O-SG 3.39Å; K570-C573 PolarHBondContact O-N 2.88Å; C573-I575 VanDerWaalsContact C-N 3.31Å; C573-I575 PolarHBondContact O-N 2.85Å; C573-L576 PolarHBondContact O-N 2.97Å; C573-V577 WeakPolarHBondContact O-CB 3.49Å; C573-V577 WeakPolarHBondContact O-CG2 3.18Å; C573-V577 PolarHBondContact O-N 2.82Å
574	E	93.2	Very high	92.3	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-58.9	-41.4	177.2	-73.2	-177.4	-173.1	0	0	112.1	K570 V578 C614 A617 R620 N624	K570-E574 WeakPolarHBondContact CE-OE1 3.41Å; K570-E574 IonicContact NZ-OE1 2.66Å; K570-E574 PolarHBondContact NZ-OE1 2.98Å; K570-E574 WeakPolarHBondContact O-CG 3.31Å; K570-E574 PolarHBondContact O-N 2.72Å; E574-V578 WeakPolarHBondContact O-CB 3.4Å; E574-V578 VanDerWaalsContact O-CG2 3.28Å; E574-V578 WeakPolarHBondContact O-CG2 3.39Å; E574-V578 PolarHBondContact O-N 3.42Å; E574-C614 HydrophobicContact CG-CB 3.98Å; E574-A617 HydrophobicContact CB-CB 4.19Å; E574-A617 HydrophobicContact CG-CB 4.35Å; E574-R620 IonicContact OE1-NH2 3.65Å; E574-R620 IonicContact OE2-CZ 2.67Å; E574-R620 IonicContact OE2-NH1 2.9Å; E574-R620 IonicContact OE2-NH2 3.31Å; E574-N624 WeakPolarHBondContact CB-ND2 3.35Å; E574-N624 PolarHBondContact OE2-ND2 2.76Å
575	I	95.2	Very high	92.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.4	-51	174.2	-70.3	161.8	0	0	0	110.7	A506 Y571 C572 C573 V577 V578 N579 F621 N624 F625 L628	A506-I575 HydrophobicContact CB-CG2 3.81Å; Y571-I575 VanDerWaalsContact O-CD1 3.27Å; Y571-I575 WeakPolarHBondContact O-CD1 3.37Å; Y571-I575 WeakPolarHBondContact O-CG1 3.16Å; Y571-I575 PolarHBondContact O-N 3.2Å; Y571-I575 VanDerWaalsContact O-N 3.16Å; C572-I575 PolarHBondContact O-N 3.29Å; C573-I575 VanDerWaalsContact C-N 3.31Å; C573-I575 PolarHBondContact O-N 2.85Å; I575-V577 VanDerWaalsContact C-N 3.32Å; I575-V577 PolarHBondContact O-N 3.38Å; I575-V578 PolarHBondContact O-N 3.05Å; I575-N579 WeakPolarHBondContact O-CB 3.46Å; I575-N579 PolarHBondContact O-N 3.04Å; I575-F621 HydrophobicContact CB-CE2 4.42Å; I575-F621 HydrophobicContact CG2-CE2 3.89Å; I575-F621 HydrophobicContact CG2-CZ 4.28Å; I575-F621 WeakPolarHBondContact O-CE2 3.5Å; I575-N624 HydrophobicContact CD1-CB 3.98Å; I575-N624 HydrophobicContact CG1-CB 3.7Å; I575-F625 HydrophobicContact CB-CE2 4.45Å; I575-F625 HydrophobicContact CD1-CB 4.46Å; I575-F625 HydrophobicContact CD1-CD1 4.12Å; I575-F625 HydrophobicContact CD1-CD2 3.95Å; I575-F625 HydrophobicContact CD1-CE1 4.34Å; I575-F625 HydrophobicContact CD1-CE2 4.2Å; I575-F625 HydrophobicContact CD1-CG 3.92Å; I575-F625 HydrophobicContact CD1-CZ 4.39Å; I575-F625 HydrophobicContact CG1-CD2 4.12Å; I575-F625 HydrophobicContact CG1-CE2 4.19Å; I575-F625 HydrophobicContact CG2-CD2 4.19Å; I575-F625 HydrophobicContact CG2-CE1 4.29Å; I575-F625 HydrophobicContact CG2-CE2 3.41Å; I575-F625 VanDerWaalsContact CG2-CE2 3.41Å; I575-F625 HydrophobicContact CG2-CZ 3.47Å; I575-F625 VanDerWaalsContact CG2-CZ 3.47Å; I575-L628 HydrophobicContact CD1-CB 4.33Å; I575-L628 HydrophobicContact CD1-CD2 3.76Å
576	L	94.6	Very high	91.9	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-65.3	-37.3	-176	-71.5	172	0	0	0	112.2	L424 V428 F503 A506 L507 C572 C573 E580	L424-L576 HydrophobicContact CD1-CB 4.06Å; L424-L576 HydrophobicContact CD2-CB 3.92Å; L424-L576 HydrophobicContact CD2-CD1 4.26Å; L424-L576 HydrophobicContact CD2-CD2 4.47Å; L424-L576 HydrophobicContact CD2-CG 4.46Å; L424-L576 HydrophobicContact CG-CB 4.47Å; V428-L576 HydrophobicContact CG2-CD1 3.36Å; F503-L576 HydrophobicContact CD2-CD2 3.56Å; F503-L576 HydrophobicContact CE2-CD2 4.07Å; F503-L576 HydrophobicContact CG-CD2 4.35Å; A506-L576 HydrophobicContact CB-CD2 3.76Å; A506-L576 HydrophobicContact CB-CG 4.11Å; L507-L576 HydrophobicContact CD2-CD1 3.89Å; C572-L576 WeakPolarHBondContact O-CG 3.38Å; C572-L576 PolarHBondContact O-N 3.4Å; C573-L576 PolarHBondContact O-N 2.97Å; L576-E580 WeakPolarHBondContact O-CB 3.2Å; L576-E580 PolarHBondContact O-N 3.38Å
577	V	93.5	Very high	91.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.3	-49.8	176.3	170.7	0	0	0	0	110.7	L424 F549 C573 I575 N579 E580 F581 F609 I610	L424-V577 HydrophobicContact CD1-CG2 4.21Å; F549-V577 HydrophobicContact CE1-CG2 3.28Å; F549-V577 HydrophobicContact CZ-CG2 3.35Å; C573-V577 WeakPolarHBondContact O-CB 3.49Å; C573-V577 WeakPolarHBondContact O-CG2 3.18Å; C573-V577 PolarHBondContact O-N 2.82Å; I575-V577 VanDerWaalsContact C-N 3.32Å; I575-V577 PolarHBondContact O-N 3.38Å; V577-N579 VanDerWaalsContact C-N 3.33Å; V577-N579 PolarHBondContact O-N 3.06Å; V577-E580 PolarHBondContact O-N 3.45Å; V577-F581 HydrophobicContact CB-CD2 4.47Å; V577-F581 HydrophobicContact CG1-CD2 4Å; V577-F581 VanDerWaalsContact O-CB 3.32Å; V577-F581 WeakPolarHBondContact O-CB 3.26Å; V577-F581 VanDerWaalsContact O-CD2 3.3Å; V577-F581 WeakPolarHBondContact O-CD2 3.23Å; V577-F581 PolarHBondContact O-N 3.05Å; V577-F609 HydrophobicContact CG1-CD1 4.3Å; V577-F609 HydrophobicContact CG1-CE1 4.15Å; V577-I610 HydrophobicContact CG1-CG1 4.01Å
578	V	93.6	Very high	90.4	Very high	9 Å²	9	24.6 Å²	24.6	6%	0.055	14%	0.137	C	C	.	.	H	α-helix	trans	-62.7	-43.9	177.6	173.4	0	0	0	0	110.4	E574 I575 E580 Y582 I610 A617 T618 F621	E574-V578 WeakPolarHBondContact O-CB 3.4Å; E574-V578 VanDerWaalsContact O-CG2 3.28Å; E574-V578 WeakPolarHBondContact O-CG2 3.39Å; E574-V578 PolarHBondContact O-N 3.42Å; I575-V578 PolarHBondContact O-N 3.05Å; V578-E580 PolarHBondContact O-N 3.17Å; V578-Y582 WeakPolarHBondContact O-CB 3.38Å; V578-Y582 PolarHBondContact O-N 3.43Å; V578-Y582 VanDerWaalsContact O-N 3.11Å; V578-I610 HydrophobicContact CG2-CG2 4.05Å; V578-A617 HydrophobicContact CG2-CB 3.56Å; V578-T618 HydrophobicContact CG1-CG2 4.49Å; V578-T618 HydrophobicContact CG2-CG2 4.45Å; V578-F621 HydrophobicContact CB-CD2 3.78Å; V578-F621 HydrophobicContact CB-CE2 4.14Å; V578-F621 HydrophobicContact CG1-CD2 3.56Å; V578-F621 HydrophobicContact CG1-CE2 4.05Å; V578-F621 HydrophobicContact CG1-CG 4.29Å
579	N	94.6	Very high	89	Confident	7 Å²	7	24.7 Å²	24.7	4%	0.037	14%	0.143	C	C	.	.	H	α-helix	trans	-61.2	-41.6	-179.3	-172.8	56.1	0	0	0	112.7	R499 I575 V577 F621	R499-N579 WeakPolarHBondContact CA-OD1 3.41Å; R499-N579 WeakPolarHBondContact CB-OD1 3.18Å; R499-N579 VanDerWaalsContact CD-O 3.23Å; R499-N579 WeakPolarHBondContact CD-O 3.34Å; R499-N579 PolarHBondContact NH1-O 3.46Å; R499-N579 PolarHBondContact O-ND2 2.82Å; I575-N579 WeakPolarHBondContact O-CB 3.46Å; I575-N579 PolarHBondContact O-N 3.04Å; V577-N579 VanDerWaalsContact C-N 3.33Å; V577-N579 PolarHBondContact O-N 3.06Å; N579-F621 HydrophobicContact CB-CE2 4.2Å; N579-F621 HydrophobicContact CB-CZ 4.43Å
580	E	92.2	Very high	87.1	Confident	3 Å²	3	27 Å²	27	1%	0.014	17%	0.168	C	C	.	.	H	α-helix	trans	-80.4	-49.8	-179.8	178.3	58.7	-172.2	0	0	112.2	R420 L493 Y494 L576 V577 V578 L584	R420-E580 IonicContact CZ-OE1 3.83Å; R420-E580 IonicContact NE-OE1 2.87Å; R420-E580 PolarHBondContact NE-OE1 3.2Å; R420-E580 IonicContact NH2-OE1 3.88Å; L493-E580 WeakPolarHBondContact CB-OE2 3.38Å; L493-E580 HydrophobicContact CD2-CG 3.9Å; L493-E580 VanDerWaalsContact CD2-OE2 3.26Å; L493-E580 WeakPolarHBondContact CD2-OE2 3.39Å; Y494-E580 PolarHBondContact N-OE2 3.37Å; L576-E580 WeakPolarHBondContact O-CB 3.2Å; L576-E580 PolarHBondContact O-N 3.38Å; V577-E580 PolarHBondContact O-N 3.45Å; V578-E580 PolarHBondContact O-N 3.17Å; E580-L584 HydrophobicContact CG-CD1 4.18Å; E580-L584 WeakPolarHBondContact O-CD1 3.45Å; E580-L584 WeakPolarHBondContact O-CG 3.34Å
581	F	91.3	Very high	85.1	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-82.6	-16.5	-168.3	-70.3	-91.1	0	0	0	114.5	V417 R420 V421 L424 V577 G583 L584 F586 G606 F609 I610	V417-F581 HydrophobicContact CG1-CE1 4.09Å; V417-F581 HydrophobicContact CG1-CZ 4.26Å; V417-F581 HydrophobicContact CG2-CE1 4.25Å; R420-F581 HydrophobicContact CB-CE2 4.36Å; R420-F581 HydrophobicContact CB-CZ 3.81Å; V421-F581 HydrophobicContact CG2-CZ 4.41Å; L424-F581 HydrophobicContact CD1-CE2 4.29Å; V577-F581 HydrophobicContact CB-CD2 4.47Å; V577-F581 HydrophobicContact CG1-CD2 4Å; V577-F581 VanDerWaalsContact O-CB 3.32Å; V577-F581 WeakPolarHBondContact O-CB 3.26Å; V577-F581 VanDerWaalsContact O-CD2 3.3Å; V577-F581 WeakPolarHBondContact O-CD2 3.23Å; V577-F581 PolarHBondContact O-N 3.05Å; F581-G583 PolarHBondContact O-N 2.92Å; F581-G583 VanDerWaalsContact O-N 3.12Å; F581-L584 PolarHBondContact O-N 2.85Å; F581-F586 HydrophobicContact CD1-CE2 4.05Å; F581-F586 AromaticContact CD1-CZ 3.71Å; F581-F586 HydrophobicContact CD1-CZ 3.71Å; F581-F586 HydrophobicContact CE1-CE2 4.21Å; F581-F586 AromaticContact CE1-CZ 3.71Å; F581-F586 HydrophobicContact CE1-CZ 3.71Å; F581-G606 WeakPolarHBondContact O-CA 3.29Å; F581-F609 HydrophobicContact CD1-CB 4.34Å; F581-F609 AromaticContact CD1-CD1 3.73Å; F581-F609 HydrophobicContact CD1-CD1 3.73Å; F581-F609 HydrophobicContact CD1-CE1 4.47Å; F581-F609 HydrophobicContact CD1-CG 4.25Å; F581-F609 AromaticContact CD2-CD1 3.95Å; F581-F609 HydrophobicContact CD2-CD1 3.95Å; F581-F609 HydrophobicContact CD2-CE1 4.14Å; F581-F609 AromaticContact CE1-CD1 3.7Å; F581-F609 HydrophobicContact CE1-CD1 3.7Å; F581-F609 HydrophobicContact CE1-CE1 4.1Å; F581-F609 HydrophobicContact CE1-CG 4.17Å; F581-F609 AromaticContact CE2-CD1 3.91Å; F581-F609 HydrophobicContact CE2-CD1 3.91Å; F581-F609 AromaticContact CE2-CE1 3.73Å; F581-F609 HydrophobicContact CE2-CE1 3.73Å; F581-F609 AromaticContact CG-CD1 3.86Å; F581-F609 HydrophobicContact CG-CD1 3.86Å; F581-F609 HydrophobicContact CG-CE1 4.49Å; F581-F609 AromaticContact CZ-CD1 3.78Å; F581-F609 HydrophobicContact CZ-CD1 3.78Å; F581-F609 AromaticContact CZ-CE1 3.71Å; F581-F609 HydrophobicContact CZ-CE1 3.71Å; F581-F609 HydrophobicContact CZ-CZ 4.45Å; F581-I610 HydrophobicContact CB-CD1 3.87Å; F581-I610 HydrophobicContact CB-CG1 3.77Å
582	Y	88.8	Confident	83	Confident	122 Å²	122	38.5 Å²	38.5	48%	0.478	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	115.1	-177.6	-166.4	-95.8	0	0	0	111.5	R499 V578 I607 T618	R499-Y582 VanDerWaalsContact CZ-O 3.22Å; R499-Y582 PolarHBondContact NH1-O 3Å; R499-Y582 PolarHBondContact NH2-O 2.93Å; V578-Y582 WeakPolarHBondContact O-CB 3.38Å; V578-Y582 PolarHBondContact O-N 3.43Å; V578-Y582 VanDerWaalsContact O-N 3.11Å; Y582-I607 HydrophobicContact CD2-CG1 4.45Å; Y582-I607 HydrophobicContact CE2-CD1 4.44Å; Y582-T618 HydrophobicContact CD2-CG2 4.22Å; Y582-T618 HydrophobicContact CE2-CG2 4.33Å
583	G	84.3	Confident	80.7	Confident	47 Å²	47	43 Å²	43	49%	0.485	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	13.8	-178.8	0	0	0	0	0	115.5	F581	F581-G583 PolarHBondContact O-N 2.92Å; F581-G583 VanDerWaalsContact O-N 3.12Å
584	L	87.1	Confident	78.3	Confident	19 Å²	19	48.6 Å²	48.6	10%	0.099	31%	0.308	C	S	.	.			trans	-83.1	137.8	168	-81	176.5	0	0	0	111.3	Y494 E580 F581 F586 G606	Y494-L584 HydrophobicContact CD2-CD2 3.84Å; Y494-L584 HydrophobicContact CD2-CG 3.98Å; Y494-L584 HydrophobicContact CE2-CD2 4.39Å; E580-L584 HydrophobicContact CG-CD1 4.18Å; E580-L584 WeakPolarHBondContact O-CD1 3.45Å; E580-L584 WeakPolarHBondContact O-CG 3.34Å; F581-L584 PolarHBondContact O-N 2.85Å; L584-F586 HydrophobicContact CB-CE1 4.49Å; L584-F586 HydrophobicContact CB-CZ 4.17Å; L584-F586 HydrophobicContact CD1-CE1 4.4Å; L584-F586 HydrophobicContact CD1-CZ 4.23Å; L584-G606 PolarHBondContact O-N 3.4Å
585	N	85.6	Confident	76.2	Confident	115 Å²	115	52 Å²	52	62%	0.615	33%	0.328	S	S	*	.	B	Isolated β-bridge	trans	-116	128	169.9	-71.8	-22.5	0	0	0	109.3
586	F	84.3	Confident	74.1	Confident	11 Å²	11	57.4 Å²	57.4	5%	0.048	36%	0.364	C	S	.	.			trans	-99.8	139.6	178.8	-57.1	-66.5	0	0	0	110.8	M412 A416 V417 F581 L584 T604	M412-F586 HydrophobicContact CE-CD2 4.35Å; M412-F586 HydrophobicContact CG-CB 3.87Å; A416-F586 HydrophobicContact CB-CD1 4.04Å; A416-F586 HydrophobicContact CB-CE1 4.37Å; V417-F586 HydrophobicContact CG2-CD2 4.11Å; V417-F586 HydrophobicContact CG2-CE1 4.38Å; V417-F586 HydrophobicContact CG2-CE2 3.77Å; V417-F586 HydrophobicContact CG2-CZ 3.93Å; F581-F586 HydrophobicContact CD1-CE2 4.05Å; F581-F586 AromaticContact CD1-CZ 3.71Å; F581-F586 HydrophobicContact CD1-CZ 3.71Å; F581-F586 HydrophobicContact CE1-CE2 4.21Å; F581-F586 AromaticContact CE1-CZ 3.71Å; F581-F586 HydrophobicContact CE1-CZ 3.71Å; L584-F586 HydrophobicContact CB-CE1 4.49Å; L584-F586 HydrophobicContact CB-CZ 4.17Å; L584-F586 HydrophobicContact CD1-CE1 4.4Å; L584-F586 HydrophobicContact CD1-CZ 4.23Å; F586-T604 PolarHBondContact N-O 3.06Å
587	T	79.9	Confident	72.1	Confident	82 Å²	82	64.4 Å²	64.4	50%	0.503	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-87.7	131.7	172.5	51.1	0	0	0	0	109.2	N410 N411 M412	N410-T587 PolarHBondContact O-N 3.24Å; N410-T587 VanDerWaalsContact O-N 3.13Å; N411-T587 CarbonylContact C-O 3.55Å; N411-T587 WeakPolarHBondContact CA-O 3.26Å; N411-T587 PolarHBondContact OD1-O 3.09Å; M412-T587 PolarHBondContact N-O 3.37Å
588	C	72.8	Confident	70.3	Confident	47 Å²	47	67.5 Å²	67.5	32%	0.318	42%	0.418	S	S	.	.			trans	-104.5	100.4	168.7	169	0	0	0	0	108.4	C601	C588-C601 HydrophobicContact CB-CB 3.67Å; C588-C601 WeakPolarHBondContact CB-SG 3.46Å; C588-C601 WeakPolarHBondContact SG-CB 3.21Å; C588-C601 CovalentContact SG-SG 2.01Å; C588-C601 PolarHBondContact SG-SG 3.46Å
589	G	65.9	Low	68.8	Low	18 Å²	18	72.2 Å²	72.2	19%	0.186	45%	0.448	C	S	.	.	S	Bend	trans	74.4	169	178.3	0	0	0	0	0	114.5	N411	N411-G589 PolarHBondContact OD1-N 2.72Å
590	G	56.3	Low	66.9	Low	53 Å²	53	77.3 Å²	77.3	55%	0.546	47%	0.473	S	S	.	.			trans	-82.7	158.1	170	0	0	0	0	0	110.3	N592 T593	G590-N592 PolarHBondContact O-N 3.03Å; G590-T593 PolarHBondContact O-N 3.37Å
591	S	49.1	Very low	65.6	Low	124 Å²	124	78 Å²	78	87%	0.867	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-1.6	-174	54.7	0	0	0	0	117.3
592	N	51	Low	64.3	Low	150 Å²	150	82 Å²	82	80%	0.802	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	8	-171.7	-65.9	8.4	0	0	0	114.5	G590	G590-N592 PolarHBondContact O-N 3.03Å
593	T	48	Very low	63.4	Low	95 Å²	95	77.5 Å²	77.5	58%	0.583	49%	0.49	S	S	*	.			trans	-126.8	99.6	173.2	30.8	0	0	0	0	110.5	G590 V595	G590-T593 PolarHBondContact O-N 3.37Å; T593-V595 VanDerWaalsContact C-N 3.28Å; T593-V595 PolarHBondContact O-N 2.88Å
594	S	42.3	Very low	63	Low	117 Å²	117	78.6 Å²	78.6	82%	0.818	49%	0.487	S	S	*	.			trans	-64.5	89.1	165.4	54.9	0	0	0	0	109.1	P596	S594-P596 VanDerWaalsContact C-CD 3.49Å
595	V	50.1	Low	62.9	Low	72 Å²	72	82.2 Å²	82.2	44%	0.436	50%	0.504	S	S	.	.			trans	-121.4	79.8	165.6	-168.6	0	0	0	0	108.4	T593 N597 N598	T593-V595 VanDerWaalsContact C-N 3.28Å; T593-V595 PolarHBondContact O-N 2.88Å; V595-N597 PolarHBondContact O-N 3.38Å; V595-N598 HydrophobicContact CG1-CB 3.91Å
596	P	51.4	Low	62.8	Low	114 Å²	114	76.8 Å²	76.8	74%	0.74	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.3	172.1	-11.1	27.1	0	0	0	112.3	S594	S594-P596 VanDerWaalsContact C-CD 3.49Å
597	N	52.9	Low	62.9	Low	147 Å²	147	79.7 Å²	79.7	79%	0.786	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	14	-167.7	-75.5	1.1	0	0	0	115	V595 P599	V595-N597 PolarHBondContact O-N 3.38Å; N597-P599 WeakPolarHBondContact O-CD 3.4Å
598	N	56	Low	63.2	Low	66 Å²	66	79.6 Å²	79.6	35%	0.353	48%	0.484	S	S	.	.			trans	-79.8	116.7	171.5	-139.3	-16.7	0	0	0	108	V595 M600 C601	V595-N598 HydrophobicContact CG1-CB 3.91Å; N598-M600 PolarHBondContact O-N 3.17Å; N598-C601 PolarHBondContact O-N 3.48Å
599	P	60.3	Low	63.9	Low	107 Å²	107	78.3 Å²	78.3	70%	0.695	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-58	-24.3	-174.3	20.1	-32.3	0	0	0	113.2	N597 C601 S602	N597-P599 WeakPolarHBondContact O-CD 3.4Å; P599-C601 VanDerWaalsContact C-N 3.27Å; P599-C601 PolarHBondContact O-N 2.91Å; P599-S602 PolarHBondContact O-OG 2.89Å
600	M	56	Low	64.9	Low	114 Å²	114	77.4 Å²	77.4	56%	0.562	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-67.5	-19.4	173.2	-80.6	-168.9	157.5	0	0	114.6	N598	N598-M600 PolarHBondContact O-N 3.17Å
601	C	63.7	Low	66.3	Low	18 Å²	18	79 Å²	79	12%	0.122	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-95.7	14.1	-179.5	-70.8	0	0	0	0	114.3	C588 N598 P599 M603	C588-C601 HydrophobicContact CB-CB 3.67Å; C588-C601 WeakPolarHBondContact CB-SG 3.46Å; C588-C601 WeakPolarHBondContact SG-CB 3.21Å; C588-C601 CovalentContact SG-SG 2.01Å; C588-C601 PolarHBondContact SG-SG 3.46Å; N598-C601 PolarHBondContact O-N 3.48Å; P599-C601 VanDerWaalsContact C-N 3.27Å; P599-C601 PolarHBondContact O-N 2.91Å; C601-M603 PolarHBondContact O-N 2.99Å
602	S	65.3	Low	67.9	Low	84 Å²	84	78.8 Å²	78.8	59%	0.587	44%	0.441	S	S	*	.	S	Bend	trans	-68.3	-15.1	-179.8	54	0	0	0	0	114.4	P599	P599-S602 PolarHBondContact O-OG 2.89Å
603	M	69.4	Low	69.4	Low	28 Å²	28	72.3 Å²	72.3	14%	0.138	41%	0.406	C	S	.	.			trans	-122.6	95.1	-177.7	-64.7	174	-164.6	0	0	111.5	M412 C601 Q608 F609 K612	M412-M603 HydrophobicContact CE-CB 3.68Å; M412-M603 WeakPolarHBondContact CE-O 3.25Å; C601-M603 PolarHBondContact O-N 2.99Å; M603-Q608 HydrophobicContact CG-CB 4.29Å; M603-F609 HydrophobicContact SD-CB 4.32Å; M603-F609 HydrophobicContact SD-CD2 4.18Å; M603-K612 HydrophobicContact CE-CB 4.42Å; M603-K612 HydrophobicContact CE-CD 3.15Å; M603-K612 HydrophobicContact CE-CG 4.39Å; M603-K612 HydrophobicContact SD-CD 4.4Å
604	T	76.4	Confident	71.1	Confident	69 Å²	69	67.9 Å²	67.9	42%	0.423	38%	0.379	S	S	.	.			trans	-86.4	-22.3	178.1	52	0	0	0	0	112.3	F586	F586-T604 PolarHBondContact N-O 3.06Å
605	Q	84.4	Confident	73	Confident	96 Å²	96	64.2 Å²	64.2	45%	0.449	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-114.3	138.8	-177.5	-64.9	178.7	-12.1	0	0	111.5	I607 Q608	Q605-I607 PolarHBondContact O-N 3.49Å; Q605-Q608 HydrophobicContact CB-CG 4.26Å; Q605-Q608 WeakPolarHBondContact O-CB 3.47Å; Q605-Q608 PolarHBondContact O-N 2.93Å; Q605-Q608 VanDerWaalsContact O-N 3.09Å
606	G	84.1	Confident	74.5	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.01	34%	0.343	C	S	.	.	H	α-helix	trans	-60.8	-30.1	178.6	0	0	0	0	0	114.1	F581 L584 Q608 F609 I610	F581-G606 WeakPolarHBondContact O-CA 3.29Å; L584-G606 PolarHBondContact O-N 3.4Å; G606-Q608 VanDerWaalsContact C-N 3.29Å; G606-Q608 PolarHBondContact O-N 2.98Å; G606-F609 WeakPolarHBondContact O-CB 3.41Å; G606-F609 PolarHBondContact O-N 3.31Å; G606-F609 VanDerWaalsContact O-N 3.12Å; G606-I610 WeakPolarHBondContact O-CG1 3.31Å; G606-I610 PolarHBondContact O-N 3.48Å; G606-I610 VanDerWaalsContact O-N 3.07Å
607	I	86.7	Confident	76.2	Confident	72 Å²	72	56.5 Å²	56.5	37%	0.369	31%	0.308	S	S	.	.	H	α-helix	trans	-61.3	-36.8	174.9	-75.5	164.7	0	0	0	112	Y582 Q605 F609 I610 E611	Y582-I607 HydrophobicContact CD2-CG1 4.45Å; Y582-I607 HydrophobicContact CE2-CD1 4.44Å; Q605-I607 PolarHBondContact O-N 3.49Å; I607-F609 PolarHBondContact O-N 3.38Å; I607-I610 PolarHBondContact O-N 3.41Å; I607-E611 HydrophobicContact CG2-CG 4.38Å; I607-E611 PolarHBondContact O-N 3.24Å
608	Q	86.2	Confident	77.7	Confident	79 Å²	79	51.8 Å²	51.8	37%	0.369	29%	0.285	S	S	.	.	H	α-helix	trans	-63.7	-34.6	177.3	-64.8	173.7	-30.8	0	0	111.4	M603 Q605 G606 K612	M603-Q608 HydrophobicContact CG-CB 4.29Å; Q605-Q608 HydrophobicContact CB-CG 4.26Å; Q605-Q608 WeakPolarHBondContact O-CB 3.47Å; Q605-Q608 PolarHBondContact O-N 2.93Å; Q605-Q608 VanDerWaalsContact O-N 3.09Å; G606-Q608 VanDerWaalsContact C-N 3.29Å; G606-Q608 PolarHBondContact O-N 2.98Å; Q608-K612 WeakPolarHBondContact O-CB 3.47Å; Q608-K612 PolarHBondContact O-N 3.07Å
609	F	85.8	Confident	79.4	Confident	20 Å²	20	53 Å²	53	9%	0.088	30%	0.299	C	S	.	.	H	α-helix	trans	-69.9	-42.6	174.4	-179.1	-99.4	0	0	0	111.9	V417 V421 V577 F581 M603 G606 I607 K612 T613	V417-F609 HydrophobicContact CG1-CD2 3.55Å; V417-F609 HydrophobicContact CG1-CE1 4.5Å; V417-F609 HydrophobicContact CG1-CE2 3.45Å; V417-F609 VanDerWaalsContact CG1-CE2 3.45Å; V417-F609 HydrophobicContact CG1-CG 4.14Å; V417-F609 HydrophobicContact CG1-CZ 3.97Å; V421-F609 HydrophobicContact CG2-CE1 3.97Å; V421-F609 HydrophobicContact CG2-CE2 4.09Å; V421-F609 HydrophobicContact CG2-CZ 3.33Å; V577-F609 HydrophobicContact CG1-CD1 4.3Å; V577-F609 HydrophobicContact CG1-CE1 4.15Å; F581-F609 HydrophobicContact CD1-CB 4.34Å; F581-F609 AromaticContact CD1-CD1 3.73Å; F581-F609 HydrophobicContact CD1-CD1 3.73Å; F581-F609 HydrophobicContact CD1-CE1 4.47Å; F581-F609 HydrophobicContact CD1-CG 4.25Å; F581-F609 AromaticContact CD2-CD1 3.95Å; F581-F609 HydrophobicContact CD2-CD1 3.95Å; F581-F609 HydrophobicContact CD2-CE1 4.14Å; F581-F609 AromaticContact CE1-CD1 3.7Å; F581-F609 HydrophobicContact CE1-CD1 3.7Å; F581-F609 HydrophobicContact CE1-CE1 4.1Å; F581-F609 HydrophobicContact CE1-CG 4.17Å; F581-F609 AromaticContact CE2-CD1 3.91Å; F581-F609 HydrophobicContact CE2-CD1 3.91Å; F581-F609 AromaticContact CE2-CE1 3.73Å; F581-F609 HydrophobicContact CE2-CE1 3.73Å; F581-F609 AromaticContact CG-CD1 3.86Å; F581-F609 HydrophobicContact CG-CD1 3.86Å; F581-F609 HydrophobicContact CG-CE1 4.49Å; F581-F609 AromaticContact CZ-CD1 3.78Å; F581-F609 HydrophobicContact CZ-CD1 3.78Å; F581-F609 AromaticContact CZ-CE1 3.71Å; F581-F609 HydrophobicContact CZ-CE1 3.71Å; F581-F609 HydrophobicContact CZ-CZ 4.45Å; M603-F609 HydrophobicContact SD-CB 4.32Å; M603-F609 HydrophobicContact SD-CD2 4.18Å; G606-F609 WeakPolarHBondContact O-CB 3.41Å; G606-F609 PolarHBondContact O-N 3.31Å; G606-F609 VanDerWaalsContact O-N 3.12Å; I607-F609 PolarHBondContact O-N 3.38Å; F609-K612 PolarHBondContact O-N 2.82Å; F609-T613 HydrophobicContact CD2-CG2 4.39Å; F609-T613 HydrophobicContact CE1-CG2 4.16Å; F609-T613 HydrophobicContact CE2-CG2 3.77Å; F609-T613 HydrophobicContact CZ-CG2 3.61Å; F609-T613 PolarHBondContact O-N 3.11Å; F609-T613 VanDerWaalsContact O-N 3.09Å; F609-T613 PolarHBondContact O-OG1 2.66Å
610	I	87.4	Confident	80.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.8	-50.8	177.6	-61.6	167.8	0	0	0	110.3	V577 V578 F581 G606 I607 K612 T613 C614 A617 T618	V577-I610 HydrophobicContact CG1-CG1 4.01Å; V578-I610 HydrophobicContact CG2-CG2 4.05Å; F581-I610 HydrophobicContact CB-CD1 3.87Å; F581-I610 HydrophobicContact CB-CG1 3.77Å; G606-I610 WeakPolarHBondContact O-CG1 3.31Å; G606-I610 PolarHBondContact O-N 3.48Å; G606-I610 VanDerWaalsContact O-N 3.07Å; I607-I610 PolarHBondContact O-N 3.41Å; I610-K612 VanDerWaalsContact C-N 3.28Å; I610-K612 PolarHBondContact O-N 2.94Å; I610-T613 PolarHBondContact O-N 3.3Å; I610-T613 PolarHBondContact O-OG1 3.38Å; I610-C614 CarbonylContact O-C 3.44Å; I610-C614 WeakPolarHBondContact O-CA 3.32Å; I610-C614 PolarHBondContact O-N 3.29Å; I610-A617 HydrophobicContact CG2-CB 4.44Å; I610-T618 HydrophobicContact CD1-CG2 4.44Å; I610-T618 HydrophobicContact CG2-CG2 3.98Å
611	E	85.3	Confident	82.6	Confident	86 Å²	86	48 Å²	48	40%	0.402	26%	0.261	S	S	.	.	H	α-helix	trans	-64.6	-33.2	-178.5	-70.9	-59	151.3	0	0	112.5	I607 P615	I607-E611 HydrophobicContact CG2-CG 4.38Å; I607-E611 PolarHBondContact O-N 3.24Å; E611-P615 WeakPolarHBondContact O-CD 3.33Å
612	K	83.3	Confident	83.9	Confident	120 Å²	120	52.1 Å²	52.1	52%	0.522	29%	0.286	S	S	.	.	H	α-helix	trans	-69.9	-41.1	177.4	-176.7	174.3	-179.5	175.2	0	113.1	N552 M603 Q608 F609 I610	N552-K612 PolarHBondContact ND2-O 3.33Å; N552-K612 PolarHBondContact OD1-O 3.13Å; N552-K612 VanDerWaalsContact OD1-O 3.13Å; M603-K612 HydrophobicContact CE-CB 4.42Å; M603-K612 HydrophobicContact CE-CD 3.15Å; M603-K612 HydrophobicContact CE-CG 4.39Å; M603-K612 HydrophobicContact SD-CD 4.4Å; Q608-K612 WeakPolarHBondContact O-CB 3.47Å; Q608-K612 PolarHBondContact O-N 3.07Å; F609-K612 PolarHBondContact O-N 2.82Å; I610-K612 VanDerWaalsContact C-N 3.28Å; I610-K612 PolarHBondContact O-N 2.94Å
613	T	82.1	Confident	85.3	Confident	13 Å²	13	51.5 Å²	51.5	8%	0.08	28%	0.278	C	S	.	.	H	α-helix	trans	-89.2	-42.6	-173.3	45.5	0	0	0	0	112.5	N552 F609 I610	N552-T613 WeakPolarHBondContact OD1-CA 3.36Å; N552-T613 PolarHBondContact OD1-O 3.05Å; F609-T613 HydrophobicContact CD2-CG2 4.39Å; F609-T613 HydrophobicContact CE1-CG2 4.16Å; F609-T613 HydrophobicContact CE2-CG2 3.77Å; F609-T613 HydrophobicContact CZ-CG2 3.61Å; F609-T613 PolarHBondContact O-N 3.11Å; F609-T613 VanDerWaalsContact O-N 3.09Å; F609-T613 PolarHBondContact O-OG1 2.66Å; I610-T613 PolarHBondContact O-N 3.3Å; I610-T613 PolarHBondContact O-OG1 3.38Å
614	C	84.4	Confident	86.6	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.02	27%	0.272	C	S	.	.	S	Bend	trans	-142.2	71.3	-171.1	-59.4	0	0	0	0	110	E574 I610 G616 A617	E574-C614 HydrophobicContact CG-CB 3.98Å; I610-C614 CarbonylContact O-C 3.44Å; I610-C614 WeakPolarHBondContact O-CA 3.32Å; I610-C614 PolarHBondContact O-N 3.29Å; C614-G616 PolarHBondContact O-N 3.45Å; C614-A617 HydrophobicContact CB-CB 3.82Å; C614-A617 WeakPolarHBondContact O-CB 3.17Å; C614-A617 PolarHBondContact O-N 3.28Å
615	P	82	Confident	87.5	Confident	39 Å²	39	48.6 Å²	48.6	25%	0.253	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	137.2	-177.9	19.8	-28.9	0	0	0	111.4	E554 E611 A617 R620	E554-P615 HydrophobicContact CG-CG 4.34Å; E554-P615 WeakPolarHBondContact OE1-CG 3.11Å; E611-P615 WeakPolarHBondContact O-CD 3.33Å; P615-A617 PolarHBondContact O-N 2.89Å; P615-R620 PolarHBondContact O-NH2 2.87Å
616	G	82.4	Confident	88.1	Confident	23 Å²	23	50.2 Å²	50.2	24%	0.237	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	14.3	-176.8	0	0	0	0	0	115.4	C614 T618 S619 R620	C614-G616 PolarHBondContact O-N 3.45Å; G616-T618 VanDerWaalsContact C-N 3.25Å; G616-T618 PolarHBondContact O-N 3.3Å; G616-S619 PolarHBondContact O-OG 3.05Å; G616-S619 VanDerWaalsContact O-OG 3.11Å; G616-R620 WeakPolarHBondContact O-CG 3.28Å; G616-R620 PolarHBondContact O-N 3.21Å; G616-R620 PolarHBondContact O-NE 3.11Å
617	A	85.5	Confident	88.6	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.008	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-27.9	172.8	0	0	0	0	0	112.4	E574 V578 I610 C614 P615 R620 F621	E574-A617 HydrophobicContact CB-CB 4.19Å; E574-A617 HydrophobicContact CG-CB 4.35Å; V578-A617 HydrophobicContact CG2-CB 3.56Å; I610-A617 HydrophobicContact CG2-CB 4.44Å; C614-A617 HydrophobicContact CB-CB 3.82Å; C614-A617 WeakPolarHBondContact O-CB 3.17Å; C614-A617 PolarHBondContact O-N 3.28Å; P615-A617 PolarHBondContact O-N 2.89Å; A617-R620 CarbonylContact O-C 3.22Å; A617-R620 PolarHBondContact O-N 3.12Å; A617-F621 PolarHBondContact O-N 2.87Å
618	T	85.9	Confident	89.1	Confident	49 Å²	49	49 Å²	49	30%	0.301	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-46.7	178.1	50.3	0	0	0	0	112.4	V578 Y582 I610 G616	V578-T618 HydrophobicContact CG1-CG2 4.49Å; V578-T618 HydrophobicContact CG2-CG2 4.45Å; Y582-T618 HydrophobicContact CD2-CG2 4.22Å; Y582-T618 HydrophobicContact CE2-CG2 4.33Å; I610-T618 HydrophobicContact CD1-CG2 4.44Å; I610-T618 HydrophobicContact CG2-CG2 3.98Å; G616-T618 VanDerWaalsContact C-N 3.25Å; G616-T618 PolarHBondContact O-N 3.3Å
619	S	90.7	Very high	89.7	Confident	92 Å²	92	48.7 Å²	48.7	64%	0.643	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-28.7	177.4	58.8	0	0	0	0	112.8	G616	G616-S619 PolarHBondContact O-OG 3.05Å; G616-S619 VanDerWaalsContact O-OG 3.11Å
620	R	90.9	Very high	90.2	Very high	79 Å²	79	50.2 Å²	50.2	30%	0.298	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	2.7	-179	-66.3	-177.9	-68.9	154.6	0.7	114.1	E574 P615 G616 A617 T622 T623 N624	E574-R620 IonicContact OE1-NH2 3.65Å; E574-R620 IonicContact OE2-CZ 2.67Å; E574-R620 IonicContact OE2-NH1 2.9Å; E574-R620 IonicContact OE2-NH2 3.31Å; P615-R620 PolarHBondContact O-NH2 2.87Å; G616-R620 WeakPolarHBondContact O-CG 3.28Å; G616-R620 PolarHBondContact O-N 3.21Å; G616-R620 PolarHBondContact O-NE 3.11Å; A617-R620 CarbonylContact O-C 3.22Å; A617-R620 PolarHBondContact O-N 3.12Å; R620-T622 PolarHBondContact O-N 3.33Å; R620-T623 PolarHBondContact O-N 3.05Å; R620-T623 VanDerWaalsContact O-N 3.16Å; R620-N624 WeakPolarHBondContact O-CB 3.06Å; R620-N624 VanDerWaalsContact O-CG 3.27Å; R620-N624 PolarHBondContact O-N 3.37Å
621	F	92.5	Very high	90.6	Very high	35 Å²	35	52.7 Å²	52.7	15%	0.154	28%	0.284	C	S	.	.	H	α-helix	trans	-53.1	-47	-173.5	-174	-100.3	0	0	0	113.7	Y502 I575 V578 N579 A617 N624 F625	Y502-F621 HydrophobicContact CD1-CE1 4.45Å; Y502-F621 HydrophobicContact CD2-CE1 4.39Å; Y502-F621 HydrophobicContact CD2-CZ 4.26Å; Y502-F621 HydrophobicContact CG-CE1 4.38Å; Y502-F621 HydrophobicContact CG-CZ 4.17Å; I575-F621 HydrophobicContact CB-CE2 4.42Å; I575-F621 HydrophobicContact CG2-CE2 3.89Å; I575-F621 HydrophobicContact CG2-CZ 4.28Å; I575-F621 WeakPolarHBondContact O-CE2 3.5Å; V578-F621 HydrophobicContact CB-CD2 3.78Å; V578-F621 HydrophobicContact CB-CE2 4.14Å; V578-F621 HydrophobicContact CG1-CD2 3.56Å; V578-F621 HydrophobicContact CG1-CE2 4.05Å; V578-F621 HydrophobicContact CG1-CG 4.29Å; N579-F621 HydrophobicContact CB-CE2 4.2Å; N579-F621 HydrophobicContact CB-CZ 4.43Å; A617-F621 PolarHBondContact O-N 2.87Å; F621-N624 PolarHBondContact O-N 2.87Å; F621-F625 HydrophobicContact CD1-CD2 4.43Å; F621-F625 HydrophobicContact CD1-CE2 4.42Å; F621-F625 HydrophobicContact CE1-CD2 4.12Å; F621-F625 AromaticContact CE1-CE2 3.71Å; F621-F625 HydrophobicContact CE1-CE2 3.71Å; F621-F625 HydrophobicContact CE2-CE2 4.23Å; F621-F625 HydrophobicContact CZ-CD2 4.37Å; F621-F625 AromaticContact CZ-CE2 3.62Å; F621-F625 HydrophobicContact CZ-CE2 3.62Å; F621-F625 PolarHBondContact O-N 3.38Å
622	T	92.1	Very high	91.2	Very high	106 Å²	106	49.6 Å²	49.6	65%	0.65	27%	0.27	S	S	*	.	H	α-helix	trans	-68.6	-43.6	178.8	50.3	0	0	0	0	112.2	R620 N624 F625 L626	R620-T622 PolarHBondContact O-N 3.33Å; T622-N624 VanDerWaalsContact C-N 3.28Å; T622-N624 PolarHBondContact O-N 3.26Å; T622-F625 PolarHBondContact O-N 3.36Å; T622-L626 PolarHBondContact O-N 2.92Å
623	T	94.8	Very high	91.8	Very high	70 Å²	70	47 Å²	47	43%	0.429	27%	0.265	S	S	.	.	H	α-helix	trans	-62.2	-37.3	175.9	-51.2	0	0	0	0	111.6	R620 F625 L626 I627	R620-T623 PolarHBondContact O-N 3.05Å; R620-T623 VanDerWaalsContact O-N 3.16Å; T623-F625 PolarHBondContact O-N 2.78Å; T623-L626 WeakPolarHBondContact O-CB 3.47Å; T623-L626 PolarHBondContact O-N 3.28Å; T623-I627 HydrophobicContact CG2-CD1 3.96Å; T623-I627 HydrophobicContact CG2-CG1 4.42Å; T623-I627 WeakPolarHBondContact O-CG1 3.18Å; T623-I627 PolarHBondContact O-N 3.27Å
624	N	95	Very high	92.5	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.016	29%	0.287	C	S	.	.	H	α-helix	trans	-64.6	-39	178.4	-76.5	-7.3	0	0	0	111.6	E574 I575 R620 F621 T622 I627 L628	E574-N624 WeakPolarHBondContact CB-ND2 3.35Å; E574-N624 PolarHBondContact OE2-ND2 2.76Å; I575-N624 HydrophobicContact CD1-CB 3.98Å; I575-N624 HydrophobicContact CG1-CB 3.7Å; R620-N624 WeakPolarHBondContact O-CB 3.06Å; R620-N624 VanDerWaalsContact O-CG 3.27Å; R620-N624 PolarHBondContact O-N 3.37Å; F621-N624 PolarHBondContact O-N 2.87Å; T622-N624 VanDerWaalsContact C-N 3.28Å; T622-N624 PolarHBondContact O-N 3.26Å; N624-I627 PolarHBondContact O-N 3.45Å; N624-L628 WeakPolarHBondContact O-CB 3.39Å; N624-L628 PolarHBondContact O-N 2.86Å
625	F	96	Very high	93.1	Very high	34 Å²	34	51.3 Å²	51.3	15%	0.149	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-44.1	172.4	-94.2	-75	0	0	0	111.9	Y502 A505 A506 I575 F621 T622 T623 I627 L628 Y629	Y502-F625 HydrophobicContact CD1-CE2 4.09Å; Y502-F625 HydrophobicContact CD1-CZ 4.07Å; Y502-F625 HydrophobicContact CG-CZ 4.47Å; A505-F625 HydrophobicContact CB-CE1 3.96Å; A506-F625 HydrophobicContact CB-CE1 4.45Å; A506-F625 HydrophobicContact CB-CZ 4.4Å; I575-F625 HydrophobicContact CB-CE2 4.45Å; I575-F625 HydrophobicContact CD1-CB 4.46Å; I575-F625 HydrophobicContact CD1-CD1 4.12Å; I575-F625 HydrophobicContact CD1-CD2 3.95Å; I575-F625 HydrophobicContact CD1-CE1 4.34Å; I575-F625 HydrophobicContact CD1-CE2 4.2Å; I575-F625 HydrophobicContact CD1-CG 3.92Å; I575-F625 HydrophobicContact CD1-CZ 4.39Å; I575-F625 HydrophobicContact CG1-CD2 4.12Å; I575-F625 HydrophobicContact CG1-CE2 4.19Å; I575-F625 HydrophobicContact CG2-CD2 4.19Å; I575-F625 HydrophobicContact CG2-CE1 4.29Å; I575-F625 HydrophobicContact CG2-CE2 3.41Å; I575-F625 VanDerWaalsContact CG2-CE2 3.41Å; I575-F625 HydrophobicContact CG2-CZ 3.47Å; I575-F625 VanDerWaalsContact CG2-CZ 3.47Å; F621-F625 HydrophobicContact CD1-CD2 4.43Å; F621-F625 HydrophobicContact CD1-CE2 4.42Å; F621-F625 HydrophobicContact CE1-CD2 4.12Å; F621-F625 AromaticContact CE1-CE2 3.71Å; F621-F625 HydrophobicContact CE1-CE2 3.71Å; F621-F625 HydrophobicContact CE2-CE2 4.23Å; F621-F625 HydrophobicContact CZ-CD2 4.37Å; F621-F625 AromaticContact CZ-CE2 3.62Å; F621-F625 HydrophobicContact CZ-CE2 3.62Å; F621-F625 PolarHBondContact O-N 3.38Å; T622-F625 PolarHBondContact O-N 3.36Å; T623-F625 PolarHBondContact O-N 2.78Å; F625-I627 PolarHBondContact O-N 3.36Å; F625-L628 PolarHBondContact O-N 2.94Å; F625-Y629 HydrophobicContact CD1-CD2 4.22Å; F625-Y629 AromaticContact CD1-CE2 3.98Å; F625-Y629 HydrophobicContact CD1-CE2 3.98Å; F625-Y629 HydrophobicContact CE1-CE2 4.35Å; F625-Y629 WeakPolarHBondContact O-CD2 3.32Å; F625-Y629 PolarHBondContact O-N 3.34Å
626	L	96.6	Very high	93.8	Very high	130 Å²	130	50.4 Å²	50.4	68%	0.681	28%	0.284	S	S	*	.	H	α-helix	trans	-59.7	-47.7	177.4	-172.2	107.3	0	0	0	111.1	T622 T623 S630	T622-L626 PolarHBondContact O-N 2.92Å; T623-L626 WeakPolarHBondContact O-CB 3.47Å; T623-L626 PolarHBondContact O-N 3.28Å; L626-S630 WeakPolarHBondContact O-CB 3.26Å; L626-S630 PolarHBondContact O-N 3.06Å
627	I	96.1	Very high	94.5	Very high	47 Å²	47	53.9 Å²	53.9	24%	0.241	30%	0.297	C	S	.	.	H	α-helix	trans	-65.7	-45.8	179.2	-64.4	168.9	0	0	0	110.6	Y571 T623 N624 F625 Y629 S630 F631	Y571-I627 HydrophobicContact CD1-CB 4.1Å; Y571-I627 HydrophobicContact CD1-CD1 4.13Å; Y571-I627 HydrophobicContact CD1-CG2 3.83Å; Y571-I627 HydrophobicContact CD2-CG2 3.71Å; Y571-I627 HydrophobicContact CE1-CB 4.28Å; Y571-I627 HydrophobicContact CE1-CD1 3.73Å; Y571-I627 HydrophobicContact CE1-CG2 3.74Å; Y571-I627 HydrophobicContact CE2-CG2 3.64Å; Y571-I627 HydrophobicContact CG-CB 4.3Å; Y571-I627 HydrophobicContact CG-CG2 3.81Å; T623-I627 HydrophobicContact CG2-CD1 3.96Å; T623-I627 HydrophobicContact CG2-CG1 4.42Å; T623-I627 WeakPolarHBondContact O-CG1 3.18Å; T623-I627 PolarHBondContact O-N 3.27Å; N624-I627 PolarHBondContact O-N 3.45Å; F625-I627 PolarHBondContact O-N 3.36Å; I627-Y629 VanDerWaalsContact C-N 3.34Å; I627-Y629 PolarHBondContact O-N 2.9Å; I627-S630 WeakPolarHBondContact O-CB 3.3Å; I627-S630 PolarHBondContact O-N 3.49Å; I627-S630 VanDerWaalsContact O-N 3.09Å; I627-S630 PolarHBondContact O-OG 2.86Å; I627-F631 HydrophobicContact CG2-CE2 4.1Å; I627-F631 VanDerWaalsContact O-CD2 3.26Å; I627-F631 WeakPolarHBondContact O-CD2 3.46Å
628	L	96.8	Very high	95	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-57.8	-46.9	179.8	177.6	60.2	0	0	0	111.7	A509 I513 F568 C572 I575 N624 F625 S630	A509-L628 HydrophobicContact CB-CD1 4.1Å; A509-L628 HydrophobicContact CB-CD2 3.89Å; A509-L628 HydrophobicContact CB-CG 3.65Å; I513-L628 HydrophobicContact CD1-CD1 4.13Å; F568-L628 HydrophobicContact CB-CD1 4.07Å; C572-L628 HydrophobicContact CB-CD1 4.01Å; C572-L628 HydrophobicContact CB-CD2 4.03Å; I575-L628 HydrophobicContact CD1-CB 4.33Å; I575-L628 HydrophobicContact CD1-CD2 3.76Å; N624-L628 WeakPolarHBondContact O-CB 3.39Å; N624-L628 PolarHBondContact O-N 2.86Å; F625-L628 PolarHBondContact O-N 2.94Å; L628-S630 VanDerWaalsContact C-N 3.32Å; L628-S630 PolarHBondContact O-N 3.4Å
629	Y	97.2	Very high	95.4	Very high	73 Å²	73	55.6 Å²	55.6	29%	0.286	30%	0.304	S	S	.	.	H	α-helix	trans	-74.3	-19.8	178.4	-85	-94.1	0	0	0	113.4	A505 A509 F625 I627 F631 I632 P633	A505-Y629 PolarHBondContact O-OH 3.41Å; A509-Y629 HydrophobicContact CB-CD2 4.2Å; A509-Y629 HydrophobicContact CB-CE1 4.25Å; A509-Y629 HydrophobicContact CB-CE2 3.9Å; F625-Y629 HydrophobicContact CD1-CD2 4.22Å; F625-Y629 AromaticContact CD1-CE2 3.98Å; F625-Y629 HydrophobicContact CD1-CE2 3.98Å; F625-Y629 HydrophobicContact CE1-CE2 4.35Å; F625-Y629 WeakPolarHBondContact O-CD2 3.32Å; F625-Y629 PolarHBondContact O-N 3.34Å; I627-Y629 VanDerWaalsContact C-N 3.34Å; I627-Y629 PolarHBondContact O-N 2.9Å; Y629-F631 PolarHBondContact O-N 2.89Å; Y629-I632 HydrophobicContact CD1-CD1 3.8Å; Y629-I632 HydrophobicContact CE1-CD1 4.16Å; Y629-I632 PolarHBondContact O-N 3.47Å; Y629-P633 WeakPolarHBondContact O-CD 3.47Å
630	S	96.9	Very high	95.6	Very high	52 Å²	52	53.7 Å²	53.7	36%	0.364	29%	0.285	S	S	.	.	H	α-helix	trans	-65.2	-24.7	176.3	78.7	0	0	0	0	113.9	L626 I627 L628 I632 P633 T634	L626-S630 WeakPolarHBondContact O-CB 3.26Å; L626-S630 PolarHBondContact O-N 3.06Å; I627-S630 WeakPolarHBondContact O-CB 3.3Å; I627-S630 PolarHBondContact O-N 3.49Å; I627-S630 VanDerWaalsContact O-N 3.09Å; I627-S630 PolarHBondContact O-OG 2.86Å; L628-S630 VanDerWaalsContact C-N 3.32Å; L628-S630 PolarHBondContact O-N 3.4Å; S630-I632 VanDerWaalsContact C-N 3.29Å; S630-I632 PolarHBondContact O-N 3.3Å; S630-P633 WeakPolarHBondContact O-CD 3.01Å; S630-P633 WeakPolarHBondContact O-CG 3.39Å; S630-T634 WeakPolarHBondContact O-CB 3.2Å; S630-T634 PolarHBondContact O-N 2.82Å; S630-T634 PolarHBondContact O-OG1 3.2Å
631	F	96.5	Very high	95.9	Very high	52 Å²	52	53.6 Å²	53.6	23%	0.228	29%	0.293	C	S	.	.	H	α-helix	trans	-63.7	-34.9	175.8	-77.2	-89.9	0	0	0	112.1	I513 F568 Y571 I627 Y629 T634 L635	I513-F631 HydrophobicContact CD1-CB 3.79Å; I513-F631 HydrophobicContact CD1-CG 4.43Å; I513-F631 HydrophobicContact CG1-CB 4.03Å; F568-F631 HydrophobicContact CB-CD1 4.46Å; F568-F631 HydrophobicContact CB-CD2 3.97Å; F568-F631 HydrophobicContact CB-CE2 4.06Å; F568-F631 HydrophobicContact CB-CG 4.18Å; F568-F631 HydrophobicContact CB-CZ 4.34Å; Y571-F631 HydrophobicContact CD2-CE2 4.18Å; Y571-F631 HydrophobicContact CE2-CE2 4.31Å; I627-F631 HydrophobicContact CG2-CE2 4.1Å; I627-F631 VanDerWaalsContact O-CD2 3.26Å; I627-F631 WeakPolarHBondContact O-CD2 3.46Å; Y629-F631 PolarHBondContact O-N 2.89Å; F631-T634 PolarHBondContact O-N 3.35Å; F631-L635 WeakPolarHBondContact O-CB 3.49Å; F631-L635 VanDerWaalsContact O-CG 3.27Å; F631-L635 WeakPolarHBondContact O-CG 3.41Å; F631-L635 PolarHBondContact O-N 3.38Å
632	I	96.6	Very high	96	Very high	21 Å²	21	53 Å²	53	11%	0.108	29%	0.292	C	S	.	.	H	α-helix	trans	-62	-59.6	-176.7	-66.7	166.7	0	0	0	112.5	A509 L512 I513 F516 Y629 S630 T634 L635 V636	A509-I632 HydrophobicContact CB-CD1 4.2Å; L512-I632 HydrophobicContact CB-CD1 4Å; L512-I632 HydrophobicContact CB-CG1 4.23Å; L512-I632 HydrophobicContact CD1-CD1 3.94Å; I513-I632 HydrophobicContact CG1-CG1 3.92Å; F516-I632 HydrophobicContact CD2-CG2 3.84Å; F516-I632 HydrophobicContact CE2-CG2 3.59Å; Y629-I632 HydrophobicContact CD1-CD1 3.8Å; Y629-I632 HydrophobicContact CE1-CD1 4.16Å; Y629-I632 PolarHBondContact O-N 3.47Å; S630-I632 VanDerWaalsContact C-N 3.29Å; S630-I632 PolarHBondContact O-N 3.3Å; I632-T634 PolarHBondContact O-N 3.32Å; I632-L635 PolarHBondContact O-N 3.45Å; I632-V636 WeakPolarHBondContact O-CG2 3.38Å; I632-V636 PolarHBondContact O-N 2.95Å; I632-V636 VanDerWaalsContact O-N 3.07Å
633	P	96.9	Very high	96	Very high	66 Å²	66	48 Å²	48	43%	0.429	26%	0.262	S	S	.	.	H	α-helix	trans	-62.8	-34.3	178.6	25.6	-33.3	0	0	0	111.6	Y629 S630 L635 V636 I637	Y629-P633 WeakPolarHBondContact O-CD 3.47Å; S630-P633 WeakPolarHBondContact O-CD 3.01Å; S630-P633 WeakPolarHBondContact O-CG 3.39Å; P633-L635 PolarHBondContact O-N 3.35Å; P633-V636 PolarHBondContact O-N 3.19Å; P633-I637 WeakPolarHBondContact O-CB 3.22Å; P633-I637 VanDerWaalsContact O-CG1 3.24Å; P633-I637 WeakPolarHBondContact O-CG1 3.27Å; P633-I637 PolarHBondContact O-N 3.25Å
634	T	96.7	Very high	95.9	Very high	86 Å²	86	51.1 Å²	51.1	53%	0.528	27%	0.269	S	S	.	.	H	α-helix	trans	-60.8	-45.9	176.4	-56	0	0	0	0	111.6	S630 F631 I632 I637 L638	S630-T634 WeakPolarHBondContact O-CB 3.2Å; S630-T634 PolarHBondContact O-N 2.82Å; S630-T634 PolarHBondContact O-OG1 3.2Å; F631-T634 PolarHBondContact O-N 3.35Å; I632-T634 PolarHBondContact O-N 3.32Å; T634-I637 PolarHBondContact O-N 2.85Å; T634-L638 VanDerWaalsContact O-CB 3.29Å; T634-L638 WeakPolarHBondContact O-CB 3.39Å; T634-L638 PolarHBondContact O-N 3.48Å
635	L	96.9	Very high	95.6	Very high	20 Å²	20	54.5 Å²	54.5	11%	0.105	29%	0.29	C	S	.	.	H	α-helix	trans	-65.7	-38.1	176.7	-74.5	168.2	0	0	0	112.3	I513 F516 L517 V520 F631 I632 P633 G639	I513-L635 HydrophobicContact CB-CD1 4.34Å; I513-L635 HydrophobicContact CG1-CD1 4.4Å; I513-L635 HydrophobicContact CG2-CD1 3.88Å; F516-L635 HydrophobicContact CB-CB 4.07Å; F516-L635 HydrophobicContact CB-CD1 4.49Å; L517-L635 HydrophobicContact CB-CD1 4.35Å; L517-L635 HydrophobicContact CB-CD2 4.38Å; L517-L635 HydrophobicContact CD1-CD2 4.06Å; V520-L635 HydrophobicContact CG2-CD2 4.44Å; V520-L635 VanDerWaalsContact CG2-O 3.31Å; V520-L635 WeakPolarHBondContact CG2-O 3.18Å; F631-L635 WeakPolarHBondContact O-CB 3.49Å; F631-L635 VanDerWaalsContact O-CG 3.27Å; F631-L635 WeakPolarHBondContact O-CG 3.41Å; F631-L635 PolarHBondContact O-N 3.38Å; I632-L635 PolarHBondContact O-N 3.45Å; P633-L635 PolarHBondContact O-N 3.35Å; L635-G639 PolarHBondContact O-N 3.49Å
636	V	96.3	Very high	95.2	Very high	19 Å²	19	53.6 Å²	53.6	12%	0.115	29%	0.285	C	S	.	.	H	α-helix	trans	-65.8	-44.8	176.7	175.1	0	0	0	0	110.9	L466 V469 F516 I632 P633 G639 M640	L466-V636 HydrophobicContact CD1-CG1 4.28Å; V469-V636 HydrophobicContact CG1-CG1 4.24Å; V469-V636 HydrophobicContact CG1-CG2 3.71Å; V469-V636 HydrophobicContact CG2-CG1 4.38Å; V469-V636 HydrophobicContact CG2-CG2 4.12Å; F516-V636 HydrophobicContact CD2-CG2 3.95Å; F516-V636 HydrophobicContact CE2-CG2 4.23Å; F516-V636 HydrophobicContact CG-CG2 4.25Å; I632-V636 WeakPolarHBondContact O-CG2 3.38Å; I632-V636 PolarHBondContact O-N 2.95Å; I632-V636 VanDerWaalsContact O-N 3.07Å; P633-V636 PolarHBondContact O-N 3.19Å; V636-G639 PolarHBondContact O-N 2.96Å; V636-M640 WeakPolarHBondContact O-CG 3.49Å; V636-M640 PolarHBondContact O-N 3.06Å
637	I	96.9	Very high	94.4	Very high	97 Å²	97	48.8 Å²	48.8	50%	0.497	26%	0.261	S	S	.	.	H	α-helix	trans	-63.3	-46.6	176.7	-66.8	164.3	0	0	0	110.6	P633 T634 G639 M640 V641	P633-I637 WeakPolarHBondContact O-CB 3.22Å; P633-I637 VanDerWaalsContact O-CG1 3.24Å; P633-I637 WeakPolarHBondContact O-CG1 3.27Å; P633-I637 PolarHBondContact O-N 3.25Å; T634-I637 PolarHBondContact O-N 2.85Å; I637-G639 VanDerWaalsContact C-N 3.27Å; I637-G639 PolarHBondContact O-N 3.07Å; I637-M640 HydrophobicContact CB-CE 4.34Å; I637-M640 HydrophobicContact CG1-CE 3.98Å; I637-M640 PolarHBondContact O-N 3.12Å; I637-M640 VanDerWaalsContact O-N 3.16Å; I637-V641 WeakPolarHBondContact O-CG2 3.45Å; I637-V641 PolarHBondContact O-N 3.13Å
638	L	96.6	Very high	93.5	Very high	85 Å²	85	51.6 Å²	51.6	45%	0.445	27%	0.269	S	S	.	.	H	α-helix	trans	-58	-43	175	179.8	61.6	0	0	0	111	V520 T634 M640 V641 V642	V520-L638 HydrophobicContact CG1-CD2 3.96Å; V520-L638 HydrophobicContact CG1-CG 4.02Å; T634-L638 VanDerWaalsContact O-CB 3.29Å; T634-L638 WeakPolarHBondContact O-CB 3.39Å; T634-L638 PolarHBondContact O-N 3.48Å; L638-M640 PolarHBondContact O-N 3.09Å; L638-V641 PolarHBondContact O-N 3.04Å; L638-V642 HydrophobicContact CD1-CG2 4.4Å; L638-V642 HydrophobicContact CG-CG2 4.49Å; L638-V642 WeakPolarHBondContact O-CG2 3.47Å; L638-V642 PolarHBondContact O-N 2.98Å
639	G	95	Very high	92.5	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-58.8	-47.4	174.9	0	0	0	0	0	111.9	L465 L635 V636 I637 V641 V642 F643	L465-G639 WeakPolarHBondContact CD2-O 3.42Å; L635-G639 PolarHBondContact O-N 3.49Å; V636-G639 PolarHBondContact O-N 2.96Å; I637-G639 VanDerWaalsContact C-N 3.27Å; I637-G639 PolarHBondContact O-N 3.07Å; G639-V641 VanDerWaalsContact C-N 3.29Å; G639-V641 PolarHBondContact O-N 3.41Å; G639-V642 PolarHBondContact O-N 3.37Å; G639-F643 VanDerWaalsContact O-CD2 3.28Å; G639-F643 WeakPolarHBondContact O-CD2 3.48Å; G639-F643 PolarHBondContact O-N 2.75Å
640	M	95.1	Very high	91.2	Very high	51 Å²	51	54.9 Å²	54.9	25%	0.251	29%	0.29	S	S	.	.	H	α-helix	trans	-58.7	-42.2	176.5	-69.6	-172.2	-67.4	0	0	112	W462 L465 V636 I637 L638 F643 K644	W462-M640 HydrophobicContact CB-CB 4.31Å; W462-M640 HydrophobicContact CB-CG 4.43Å; W462-M640 HydrophobicContact CE3-CG 4.3Å; W462-M640 HydrophobicContact CE3-SD 3.97Å; W462-M640 HydrophobicContact CZ3-SD 4.37Å; L465-M640 HydrophobicContact CD2-CG 4.49Å; V636-M640 WeakPolarHBondContact O-CG 3.49Å; V636-M640 PolarHBondContact O-N 3.06Å; I637-M640 HydrophobicContact CB-CE 4.34Å; I637-M640 HydrophobicContact CG1-CE 3.98Å; I637-M640 PolarHBondContact O-N 3.12Å; I637-M640 VanDerWaalsContact O-N 3.16Å; L638-M640 PolarHBondContact O-N 3.09Å; M640-F643 PolarHBondContact O-N 3.4Å; M640-K644 VanDerWaalsContact O-CB 3.27Å; M640-K644 WeakPolarHBondContact O-CB 3.41Å; M640-K644 PolarHBondContact O-N 2.89Å
641	V	95.6	Very high	89.4	Confident	78 Å²	78	54.8 Å²	54.8	47%	0.473	29%	0.29	S	S	.	.	H	α-helix	trans	-63.1	-47.4	175.5	175.2	0	0	0	0	110.7	I637 L638 G639 F643 K644 V645	I637-V641 WeakPolarHBondContact O-CG2 3.45Å; I637-V641 PolarHBondContact O-N 3.13Å; L638-V641 PolarHBondContact O-N 3.04Å; G639-V641 VanDerWaalsContact C-N 3.29Å; G639-V641 PolarHBondContact O-N 3.41Å; V641-F643 PolarHBondContact O-N 3.45Å; V641-K644 PolarHBondContact O-N 2.85Å; V641-V645 HydrophobicContact CG1-CG2 4.3Å; V641-V645 VanDerWaalsContact O-CG2 3.31Å; V641-V645 WeakPolarHBondContact O-CG2 3.39Å; V641-V645 PolarHBondContact O-N 3.07Å
642	V	95	Very high	87	Confident	22 Å²	22	58.8 Å²	58.8	13%	0.133	30%	0.303	C	S	.	.	H	α-helix	trans	-58.9	-45.2	178.3	166.9	0	0	0	0	111.4	V520 M524 L638 G639 V645 R646	V520-V642 HydrophobicContact CG1-CG2 4.12Å; M524-V642 HydrophobicContact CG-CG1 3.63Å; M524-V642 HydrophobicContact CG-CG2 4.18Å; M524-V642 HydrophobicContact SD-CG2 4.39Å; L638-V642 HydrophobicContact CD1-CG2 4.4Å; L638-V642 HydrophobicContact CG-CG2 4.49Å; L638-V642 WeakPolarHBondContact O-CG2 3.47Å; L638-V642 PolarHBondContact O-N 2.98Å; G639-V642 PolarHBondContact O-N 3.37Å; V642-V645 PolarHBondContact O-N 3.22Å; V642-R646 VanDerWaalsContact O-CB 3.3Å; V642-R646 WeakPolarHBondContact O-CB 3.46Å; V642-R646 PolarHBondContact O-N 2.78Å
643	F	93.1	Very high	86.5	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.009	31%	0.313	C	S	.	.	H	α-helix	trans	-70.5	-32.5	179.4	-83.3	-99.5	0	0	0	112.5	F443 R447 K461 W462 L465 L519 G523 G639 M640 V641 R646 D647	F443-F643 AromaticContact CE1-CE1 3.88Å; F443-F643 HydrophobicContact CE1-CE1 3.88Å; F443-F643 HydrophobicContact CE1-CE2 4.47Å; F443-F643 AromaticContact CE1-CZ 3.45Å; F443-F643 HydrophobicContact CE1-CZ 3.45Å; F443-F643 VanDerWaalsContact CE1-CZ 3.45Å; F443-F643 AromaticContact CZ-CE1 3.83Å; F443-F643 HydrophobicContact CZ-CE1 3.83Å; F443-F643 HydrophobicContact CZ-CE2 4.48Å; F443-F643 AromaticContact CZ-CZ 3.62Å; F443-F643 HydrophobicContact CZ-CZ 3.62Å; R447-F643 HydrophobicContact CG-CE1 4.28Å; K461-F643 HydrophobicContact CB-CB 4.43Å; K461-F643 HydrophobicContact CB-CD1 4.1Å; W462-F643 HydrophobicContact CB-CB 4.09Å; L465-F643 HydrophobicContact CB-CD2 4.36Å; L465-F643 HydrophobicContact CB-CG 4.34Å; L465-F643 HydrophobicContact CD1-CD2 4.23Å; L465-F643 HydrophobicContact CD1-CE2 3.85Å; L465-F643 HydrophobicContact CD1-CZ 4.3Å; L465-F643 HydrophobicContact CD2-CD2 3.7Å; L465-F643 HydrophobicContact CD2-CE2 4.15Å; L465-F643 HydrophobicContact CD2-CG 4.3Å; L465-F643 HydrophobicContact CG-CD2 4.31Å; L465-F643 HydrophobicContact CG-CE2 4.42Å; L519-F643 WeakPolarHBondContact O-CE2 3.41Å; G523-F643 VanDerWaalsContact CA-CZ 3.42Å; G639-F643 VanDerWaalsContact O-CD2 3.28Å; G639-F643 WeakPolarHBondContact O-CD2 3.48Å; G639-F643 PolarHBondContact O-N 2.75Å; M640-F643 PolarHBondContact O-N 3.4Å; V641-F643 PolarHBondContact O-N 3.45Å; F643-R646 WeakPolarHBondContact O-CB 3.16Å; F643-R646 PolarHBondContact O-N 3.36Å; F643-D647 PolarHBondContact O-N 3.2Å
644	K	91.4	Very high	85.9	Confident	134 Å²	134	60.4 Å²	60.4	58%	0.583	31%	0.307	S	S	*	.	H	α-helix	trans	-68.8	-36.6	172.1	-169.1	172.6	-176.3	174.2	0	112.3	M640 V641 D647 Y648	M640-K644 VanDerWaalsContact O-CB 3.27Å; M640-K644 WeakPolarHBondContact O-CB 3.41Å; M640-K644 PolarHBondContact O-N 2.89Å; V641-K644 PolarHBondContact O-N 2.85Å; K644-D647 WeakPolarHBondContact O-CB 3.46Å; K644-Y648 PolarHBondContact O-N 3.22Å
645	V	90	Very high	85.3	Confident	75 Å²	75	59 Å²	59	46%	0.455	30%	0.295	S	S	.	.	H	α-helix	trans	-70.7	-35.9	172	173	0	0	0	0	110.8	V641 V642 D647 Y648 L649	V641-V645 HydrophobicContact CG1-CG2 4.3Å; V641-V645 VanDerWaalsContact O-CG2 3.31Å; V641-V645 WeakPolarHBondContact O-CG2 3.39Å; V641-V645 PolarHBondContact O-N 3.07Å; V642-V645 PolarHBondContact O-N 3.22Å; V645-D647 VanDerWaalsContact C-N 3.33Å; V645-D647 PolarHBondContact O-N 3.21Å; V645-Y648 CarbonylContact O-C 3.56Å; V645-Y648 WeakPolarHBondContact O-CA 2.96Å; V645-Y648 WeakPolarHBondContact O-CB 3.43Å; V645-Y648 PolarHBondContact O-N 3.16Å; V645-Y648 VanDerWaalsContact O-N 3.12Å; V645-L649 HydrophobicContact CG1-CD1 4Å; V645-L649 HydrophobicContact CG1-CG 4.26Å; V645-L649 WeakPolarHBondContact O-CG 2.85Å; V645-L649 PolarHBondContact O-N 3.01Å
646	R	86.3	Confident	84.6	Confident	14 Å²	14	61.3 Å²	61.3	5%	0.053	31%	0.306	C	S	.	.	H	α-helix	trans	-62.4	-38.7	174.4	-176.8	-169.4	177.6	113.4	-5	111.7	D451 L522 G523 V642 F643 Y648 L649 I650	D451-R646 IonicContact OD1-CZ 2.74Å; D451-R646 IonicContact OD1-NE 3.24Å; D451-R646 PolarHBondContact OD1-NE 3.42Å; D451-R646 IonicContact OD1-NH2 2.82Å; D451-R646 IonicContact OD2-CZ 3.82Å; D451-R646 IonicContact OD2-NE 2.83Å; D451-R646 IonicContact OD2-NH2 3.29Å; D451-R646 PolarHBondContact OD2-NH2 3.44Å; L522-R646 PolarHBondContact O-NH1 2.87Å; L522-R646 VanDerWaalsContact O-NH1 3.15Å; G523-R646 PolarHBondContact O-NH1 2.85Å; V642-R646 VanDerWaalsContact O-CB 3.3Å; V642-R646 WeakPolarHBondContact O-CB 3.46Å; V642-R646 PolarHBondContact O-N 2.78Å; F643-R646 WeakPolarHBondContact O-CB 3.16Å; F643-R646 PolarHBondContact O-N 3.36Å; R646-Y648 VanDerWaalsContact C-N 3.28Å; R646-Y648 PolarHBondContact O-N 3.26Å; R646-L649 PolarHBondContact O-N 3.09Å; R646-I650 HydrophobicContact CG-CD1 3.78Å; R646-I650 HydrophobicContact CG-CG1 4.35Å; R646-I650 WeakPolarHBondContact O-CB 3.27Å; R646-I650 WeakPolarHBondContact O-CG1 3.08Å; R646-I650 PolarHBondContact O-N 3.13Å
647	D	80.9	Confident	83.9	Confident	30 Å²	30	63.9 Å²	63.9	16%	0.16	32%	0.318	C	S	.	.	H	α-helix	trans	-54	-50.1	170.6	-76.4	-20.9	0	0	0	110.3	K461 F643 K644 V645 L649 I650 S651	K461-D647 VanDerWaalsContact CB-OD1 3.25Å; K461-D647 WeakPolarHBondContact CB-OD1 3.32Å; K461-D647 WeakPolarHBondContact CD-OD1 3.1Å; K461-D647 WeakPolarHBondContact CE-OD1 3.44Å; K461-D647 WeakPolarHBondContact CG-OD1 3.5Å; K461-D647 PolarHBondContact N-OD2 3.46Å; K461-D647 IonicContact NZ-OD1 3.68Å; F643-D647 PolarHBondContact O-N 3.2Å; K644-D647 WeakPolarHBondContact O-CB 3.46Å; V645-D647 VanDerWaalsContact C-N 3.33Å; V645-D647 PolarHBondContact O-N 3.21Å; D647-L649 PolarHBondContact O-N 3.01Å; D647-I650 PolarHBondContact O-N 3.14Å; D647-S651 VanDerWaalsContact O-CB 3.29Å; D647-S651 WeakPolarHBondContact O-CB 3.38Å; D647-S651 PolarHBondContact O-N 3.23Å; D647-S651 PolarHBondContact O-OG 3.29Å
648	Y	77.6	Confident	83.1	Confident	106 Å²	106	61.7 Å²	61.7	42%	0.416	31%	0.306	S	S	.	.	H	α-helix	trans	-61.6	-46.6	177.4	-171.7	-97.5	0	0	0	112.1	R106 K644 V645 R646 I650 S651 R652	R106-Y648 VanDerWaalsContact NH1-CE2 3.27Å; K644-Y648 PolarHBondContact O-N 3.22Å; V645-Y648 CarbonylContact O-C 3.56Å; V645-Y648 WeakPolarHBondContact O-CA 2.96Å; V645-Y648 WeakPolarHBondContact O-CB 3.43Å; V645-Y648 PolarHBondContact O-N 3.16Å; V645-Y648 VanDerWaalsContact O-N 3.12Å; R646-Y648 VanDerWaalsContact C-N 3.28Å; R646-Y648 PolarHBondContact O-N 3.26Å; Y648-I650 PolarHBondContact O-N 3.39Å; Y648-S651 WeakPolarHBondContact CA-OG 3.4Å; Y648-S651 CarbonylContact O-C 3.57Å; Y648-S651 PolarHBondContact O-N 2.01Å; Y648-S651 PolarHBondContact O-OG 3Å; Y648-R652 HydrophobicContact CE1-CB 4.48Å; Y648-R652 HydrophobicContact CE1-CG 4.49Å; Y648-R652 WeakPolarHBondContact O-CB 3.35Å; Y648-R652 PolarHBondContact O-N 3.35Å
649	L	74.4	Confident	82.1	Confident	109 Å²	109	60.1 Å²	60.1	57%	0.571	30%	0.296	S	S	*	.	H	α-helix	trans	-65.4	-34.3	-179.1	-75.5	170.1	0	0	0	113.8	V645 R646 D647 R652	V645-L649 HydrophobicContact CG1-CD1 4Å; V645-L649 HydrophobicContact CG1-CG 4.26Å; V645-L649 WeakPolarHBondContact O-CG 2.85Å; V645-L649 PolarHBondContact O-N 3.01Å; R646-L649 PolarHBondContact O-N 3.09Å; D647-L649 PolarHBondContact O-N 3.01Å; L649-R652 VanDerWaalsContact O-OXT 3.09Å
650	I	70.1	Confident	81.1	Confident	32 Å²	32	64.6 Å²	64.6	16%	0.164	32%	0.318	C	S	.	.	H	α-helix	trans	-80	-31.1	177.3	-70.5	175.6	0	0	0	110.7	D451 R646 D647 Y648 R652	D451-I650 WeakPolarHBondContact OD1-CD1 3.44Å; R646-I650 HydrophobicContact CG-CD1 3.78Å; R646-I650 HydrophobicContact CG-CG1 4.35Å; R646-I650 WeakPolarHBondContact O-CB 3.27Å; R646-I650 WeakPolarHBondContact O-CG1 3.08Å; R646-I650 PolarHBondContact O-N 3.13Å; D647-I650 PolarHBondContact O-N 3.14Å; Y648-I650 PolarHBondContact O-N 3.39Å; I650-R652 VanDerWaalsContact C-N 3.33Å
651	S	59.4	Low	79.9	Confident	51 Å²	51	65.8 Å²	65.8	36%	0.357	32%	0.324	S	S	.	.	H	α-helix	trans	-74.8	-21.6	172.1	75.3	0	0	0	0	113.6	R106 D647 Y648	R106-S651 PolarHBondContact N-O 2.83Å; D647-S651 VanDerWaalsContact O-CB 3.29Å; D647-S651 WeakPolarHBondContact O-CB 3.38Å; D647-S651 PolarHBondContact O-N 3.23Å; D647-S651 PolarHBondContact O-OG 3.29Å; Y648-S651 WeakPolarHBondContact CA-OG 3.4Å; Y648-S651 CarbonylContact O-C 3.57Å; Y648-S651 PolarHBondContact O-N 2.01Å; Y648-S651 PolarHBondContact O-OG 3Å
652	R	45.5	Very low	78.5	Confident	136 Å²	136	64.6 Å²	64.6	51%	0.513	31%	0.31	S	S	.	.			trans	-89.4	0	179.4	-161.5	-169.7	-176.6	165.4	1.2	110.7	R105 R106 T107 Y648 L649 I650	R105-R652 CarbonylContact C-O 3.5Å; R105-R652 VanDerWaalsContact CB-O 3.27Å; R105-R652 WeakPolarHBondContact CB-O 3.07Å; R105-R652 WeakPolarHBondContact CD-OXT 3.33Å; R106-R652 CarbonylContact C-O 3.6Å; R106-R652 HydrophobicContact CB-CB 4.45Å; R106-R652 HydrophobicContact CB-CG 3.88Å; R106-R652 PolarHBondContact N-O 2.74Å; T107-R652 HydrophobicContact CG2-CG 4.5Å; T107-R652 WeakPolarHBondContact CG2-O 2.9Å; T107-R652 PolarHBondContact N-O 2.88Å; T107-R652 PolarHBondContact OG1-O 3.27Å; Y648-R652 HydrophobicContact CE1-CB 4.48Å; Y648-R652 HydrophobicContact CE1-CG 4.49Å; Y648-R652 WeakPolarHBondContact O-CB 3.35Å; Y648-R652 PolarHBondContact O-N 3.35Å; L649-R652 VanDerWaalsContact O-OXT 3.09Å; I650-R652 VanDerWaalsContact C-N 3.33Å

Retrieved 652 of 652 residues in 485.4 ms (Link to these results)

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