A0A3Q0KQL4_SCHMA Loading...

DNTTIP1_dimer domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQL4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 326 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	52.7	Low	56.6	Low	232 Å²	232	137.3 Å²	137.3	100%	1.143	68%	0.681	S	S	*	*				0	-21.3	0	-91.4	-176.4	-95.9	0	0	113.5
2	E	51.3	Low	57.5	Low	167 Å²	167	136.9 Å²	136.9	78%	0.78	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-29.4	-179.3	-78.8	169.1	138.7	0	0	115.7	H4 Y5	E2-H4 VanDerWaalsContact C-N 3.27Å; E2-H4 PolarHBondContact O-N 3.15Å; E2-Y5 PolarHBondContact O-N 3.36Å; E2-Y5 VanDerWaalsContact O-N 3.13Å
3	N	53.8	Low	57.8	Low	147 Å²	147	134.9 Å²	134.9	79%	0.786	67%	0.665	S	S	*	*	H	α-helix	trans	-66.3	-22.3	-175.7	-80.1	-41.5	0	0	0	115
4	H	54.4	Low	57.9	Low	166 Å²	166	136.9 Å²	136.9	77%	0.769	66%	0.663	S	S	*	*	H	α-helix	trans	-77.5	-23.2	176.2	-102	-90.2	0	0	0	113.1	E2 S8	E2-H4 VanDerWaalsContact C-N 3.27Å; E2-H4 PolarHBondContact O-N 3.15Å; H4-S8 PolarHBondContact O-N 3.35Å
5	Y	54	Low	58.2	Low	183 Å²	183	136.1 Å²	136.1	72%	0.718	66%	0.663	S	S	*	*	H	α-helix	trans	-80.6	-37.2	-176.3	-126.3	-91.7	0	0	0	112.4	E2 K7 S8 N9	E2-Y5 PolarHBondContact O-N 3.36Å; E2-Y5 VanDerWaalsContact O-N 3.13Å; Y5-K7 VanDerWaalsContact C-N 3.34Å; Y5-K7 PolarHBondContact O-N 3.27Å; Y5-S8 PolarHBondContact O-N 3.05Å; Y5-N9 PolarHBondContact O-N 3.45Å
6	L	52.7	Low	58.5	Low	130 Å²	130	135 Å²	135	68%	0.681	66%	0.661	S	S	*	*	H	α-helix	trans	-62.7	-41.8	175	-99.2	84.4	0	0	0	111.7	S8 N9 E10	L6-S8 VanDerWaalsContact C-N 3.26Å; L6-S8 PolarHBondContact O-N 3.39Å; L6-N9 PolarHBondContact O-N 3.2Å; L6-E10 PolarHBondContact O-N 2.93Å; L6-E10 VanDerWaalsContact O-N 3.13Å
7	K	59.4	Low	58.7	Low	162 Å²	162	132.5 Å²	132.5	70%	0.704	65%	0.651	S	S	*	*	H	α-helix	trans	-64.6	-30.5	-179.6	-147.6	172.5	-173.4	-178.1	0	112.5	Y5 A11	Y5-K7 VanDerWaalsContact C-N 3.34Å; Y5-K7 PolarHBondContact O-N 3.27Å; K7-A11 WeakPolarHBondContact O-CB 3.33Å; K7-A11 PolarHBondContact O-N 3.42Å
8	S	59.8	Low	58.9	Low	58 Å²	58	128.8 Å²	128.8	41%	0.406	64%	0.641	S	S	.	*	H	α-helix	trans	-72.1	-39.4	176.3	-172.1	0	0	0	0	112.8	H4 Y5 L6 A11 K12	H4-S8 PolarHBondContact O-N 3.35Å; Y5-S8 PolarHBondContact O-N 3.05Å; L6-S8 VanDerWaalsContact C-N 3.26Å; L6-S8 PolarHBondContact O-N 3.39Å; S8-A11 PolarHBondContact O-N 2.91Å; S8-K12 WeakPolarHBondContact O-CG 3.49Å; S8-K12 PolarHBondContact O-N 3.39Å; S8-K12 VanDerWaalsContact O-N 3.13Å
9	N	60.4	Low	59	Low	97 Å²	97	125.5 Å²	125.5	52%	0.519	63%	0.628	S	S	.	*	H	α-helix	trans	-70.4	-37.3	177.7	-95.7	-7.1	0	0	0	112.4	Y5 L6 K12 L13	Y5-N9 PolarHBondContact O-N 3.45Å; L6-N9 PolarHBondContact O-N 3.2Å; N9-K12 PolarHBondContact O-N 3.11Å; N9-L13 PolarHBondContact O-N 3.2Å
10	E	62.5	Low	59.2	Low	112 Å²	112	125.6 Å²	125.6	52%	0.523	63%	0.63	S	S	.	*	H	α-helix	trans	-64.6	-42.7	175.4	-149.3	174.9	-174.3	0	0	110.9	L6 K12 L13 Y14	L6-E10 PolarHBondContact O-N 2.93Å; L6-E10 VanDerWaalsContact O-N 3.13Å; E10-K12 VanDerWaalsContact C-N 3.35Å; E10-K12 PolarHBondContact O-N 2.98Å; E10-L13 WeakPolarHBondContact O-CB 3.35Å; E10-L13 PolarHBondContact O-N 3.35Å; E10-L13 VanDerWaalsContact O-N 3.15Å; E10-Y14 HydrophobicContact CG-CD2 4.43Å; E10-Y14 HydrophobicContact CG-CE2 3.96Å; E10-Y14 WeakPolarHBondContact O-CD2 3.38Å; E10-Y14 PolarHBondContact O-N 3.36Å; E10-Y14 VanDerWaalsContact O-N 3.1Å
11	A	62.1	Low	58.9	Low	56 Å²	56	125.1 Å²	125.1	46%	0.463	63%	0.629	S	S	.	*	H	α-helix	trans	-60.2	-39.4	174.9	0	0	0	0	0	113.2	K7 S8 L13 Y14 L15	K7-A11 WeakPolarHBondContact O-CB 3.33Å; K7-A11 PolarHBondContact O-N 3.42Å; S8-A11 PolarHBondContact O-N 2.91Å; A11-L13 VanDerWaalsContact C-N 3.34Å; A11-L13 PolarHBondContact O-N 3.39Å; A11-Y14 PolarHBondContact O-N 3.34Å; A11-L15 PolarHBondContact O-N 3.26Å; A11-L15 VanDerWaalsContact O-N 3.08Å
12	K	66.5	Low	59.3	Low	133 Å²	133	117.6 Å²	117.6	58%	0.578	60%	0.596	S	S	*	*	H	α-helix	trans	-64.1	-37.4	175	-74.9	179	-178.9	178.6	0	112.7	S8 N9 E10 L15 N16	S8-K12 WeakPolarHBondContact O-CG 3.49Å; S8-K12 PolarHBondContact O-N 3.39Å; S8-K12 VanDerWaalsContact O-N 3.13Å; N9-K12 PolarHBondContact O-N 3.11Å; E10-K12 VanDerWaalsContact C-N 3.35Å; E10-K12 PolarHBondContact O-N 2.98Å; K12-L15 PolarHBondContact O-N 3.24Å; K12-N16 PolarHBondContact O-N 2.95Å; K12-N16 VanDerWaalsContact O-N 3.09Å
13	L	62.1	Low	59.8	Low	111 Å²	111	116.4 Å²	116.4	58%	0.581	59%	0.588	S	S	*	*	H	α-helix	trans	-64.4	-41.6	175.8	-105.4	146.8	0	0	0	111.6	N9 E10 A11 N16 N17	N9-L13 PolarHBondContact O-N 3.2Å; E10-L13 WeakPolarHBondContact O-CB 3.35Å; E10-L13 PolarHBondContact O-N 3.35Å; E10-L13 VanDerWaalsContact O-N 3.15Å; A11-L13 VanDerWaalsContact C-N 3.34Å; A11-L13 PolarHBondContact O-N 3.39Å; L13-N16 PolarHBondContact O-N 2.9Å; L13-N17 PolarHBondContact O-N 3.48Å; L13-N17 VanDerWaalsContact O-N 3.14Å; L13-N17 PolarHBondContact O-ND2 2.88Å
14	Y	58.5	Low	59.9	Low	162 Å²	162	111 Å²	111	64%	0.635	57%	0.568	S	S	*	*	H	α-helix	trans	-63.3	-41.2	174.2	-78.1	-72	0	0	0	112.6	E10 A11 N16 N17 S18	E10-Y14 HydrophobicContact CG-CD2 4.43Å; E10-Y14 HydrophobicContact CG-CE2 3.96Å; E10-Y14 WeakPolarHBondContact O-CD2 3.38Å; E10-Y14 PolarHBondContact O-N 3.36Å; E10-Y14 VanDerWaalsContact O-N 3.1Å; A11-Y14 PolarHBondContact O-N 3.34Å; Y14-N16 PolarHBondContact O-N 3.32Å; Y14-N17 PolarHBondContact O-N 2.93Å; Y14-S18 WeakPolarHBondContact O-CB 3.41Å; Y14-S18 PolarHBondContact O-N 2.86Å
15	L	62.2	Low	60.1	Low	126 Å²	126	107.2 Å²	107.2	66%	0.66	55%	0.552	S	S	*	*	H	α-helix	trans	-65.8	-38.4	179.1	-142.3	82.2	0	0	0	112.6	A11 K12 S18 T19	A11-L15 PolarHBondContact O-N 3.26Å; A11-L15 VanDerWaalsContact O-N 3.08Å; K12-L15 PolarHBondContact O-N 3.24Å; L15-S18 PolarHBondContact O-N 3.29Å; L15-T19 PolarHBondContact O-N 3.42Å; L15-T19 PolarHBondContact O-OG1 3.13Å
16	N	64	Low	60.3	Low	118 Å²	118	104.9 Å²	104.9	63%	0.631	55%	0.548	S	S	*	.	H	α-helix	trans	-67.5	-38.7	176.1	-105.6	-5.6	0	0	0	112.4	K12 L13 Y14 T19 L20	K12-N16 PolarHBondContact O-N 2.95Å; K12-N16 VanDerWaalsContact O-N 3.09Å; L13-N16 PolarHBondContact O-N 2.9Å; Y14-N16 PolarHBondContact O-N 3.32Å; N16-T19 WeakPolarHBondContact CA-OG1 3.43Å; N16-T19 PolarHBondContact O-OG1 3.33Å; N16-L20 PolarHBondContact O-N 3.48Å; N16-L20 VanDerWaalsContact O-N 3.11Å
17	N	61.4	Low	60.5	Low	93 Å²	93	102.5 Å²	102.5	50%	0.497	54%	0.539	S	S	.	.	H	α-helix	trans	-68.8	-37	176	-71.4	-25	0	0	0	111.9	L13 Y14 L20 L21	L13-N17 PolarHBondContact O-N 3.48Å; L13-N17 VanDerWaalsContact O-N 3.14Å; L13-N17 PolarHBondContact O-ND2 2.88Å; Y14-N17 PolarHBondContact O-N 2.93Å; N17-L20 PolarHBondContact O-N 3.5Å; N17-L21 PolarHBondContact O-N 3.31Å; N17-L21 VanDerWaalsContact O-N 3.1Å
18	S	62.3	Low	60.2	Low	66 Å²	66	99.5 Å²	99.5	46%	0.462	53%	0.529	S	S	.	.	H	α-helix	trans	-62.7	-48.9	175.2	-179.9	0	0	0	0	111.7	Y14 L15 L20 L21 T22	Y14-S18 WeakPolarHBondContact O-CB 3.41Å; Y14-S18 PolarHBondContact O-N 2.86Å; L15-S18 PolarHBondContact O-N 3.29Å; S18-L20 VanDerWaalsContact C-N 3.31Å; S18-L20 PolarHBondContact O-N 2.91Å; S18-L21 WeakPolarHBondContact O-CB 3.46Å; S18-L21 PolarHBondContact O-N 3Å; S18-L21 VanDerWaalsContact O-N 3.12Å; S18-T22 PolarHBondContact O-N 3.49Å; S18-T22 PolarHBondContact O-OG1 2.9Å
19	T	60.6	Low	60	Low	66 Å²	66	103.2 Å²	103.2	41%	0.405	54%	0.538	S	S	.	.	H	α-helix	trans	-64	-33.1	178.1	43.2	0	0	0	0	113.3	L15 N16 T22 K23	L15-T19 PolarHBondContact O-N 3.42Å; L15-T19 PolarHBondContact O-OG1 3.13Å; N16-T19 WeakPolarHBondContact CA-OG1 3.43Å; N16-T19 PolarHBondContact O-OG1 3.33Å; T19-T22 PolarHBondContact O-N 3Å; T19-K23 WeakPolarHBondContact O-CG 3.42Å; T19-K23 PolarHBondContact O-N 3.19Å; T19-K23 VanDerWaalsContact O-N 3.07Å
20	L	62.9	Low	59.6	Low	127 Å²	127	106.7 Å²	106.7	67%	0.665	55%	0.549	S	S	*	.	H	α-helix	trans	-65.7	-40.9	173.2	-151.3	82.7	0	0	0	111.6	N16 N17 S18 K23 G24	N16-L20 PolarHBondContact O-N 3.48Å; N16-L20 VanDerWaalsContact O-N 3.11Å; N17-L20 PolarHBondContact O-N 3.5Å; S18-L20 VanDerWaalsContact C-N 3.31Å; S18-L20 PolarHBondContact O-N 2.91Å; L20-K23 PolarHBondContact O-N 3.13Å; L20-G24 PolarHBondContact O-N 3.32Å
21	L	53.9	Low	59.1	Low	116 Å²	116	108 Å²	108	61%	0.607	56%	0.555	S	S	*	*	H	α-helix	trans	-63.3	-45.2	174.5	-107.3	145.2	0	0	0	111.9	N17 S18 K23 G24 I25	N17-L21 PolarHBondContact O-N 3.31Å; N17-L21 VanDerWaalsContact O-N 3.1Å; S18-L21 WeakPolarHBondContact O-CB 3.46Å; S18-L21 PolarHBondContact O-N 3Å; S18-L21 VanDerWaalsContact O-N 3.12Å; L21-K23 VanDerWaalsContact C-N 3.34Å; L21-K23 PolarHBondContact O-N 2.7Å; L21-G24 PolarHBondContact O-N 2.92Å; L21-I25 WeakPolarHBondContact O-CG1 3.43Å; L21-I25 PolarHBondContact O-N 3.37Å
22	T	60	Low	58.5	Low	73 Å²	73	112.3 Å²	112.3	45%	0.448	57%	0.565	S	S	.	*	H	α-helix	trans	-63.6	-40.1	178.6	-43.8	0	0	0	0	111.8	S18 T19 I25 Q26	S18-T22 PolarHBondContact O-N 3.49Å; S18-T22 PolarHBondContact O-OG1 2.9Å; T19-T22 PolarHBondContact O-N 3Å; T22-I25 PolarHBondContact O-N 3.45Å; T22-Q26 PolarHBondContact O-N 2.94Å
23	K	62.6	Low	57.5	Low	142 Å²	142	112.5 Å²	112.5	62%	0.617	57%	0.573	S	S	*	*	H	α-helix	trans	-63.8	-41.2	174.2	-74.3	178.1	-178.9	179.4	0	111.7	T19 L20 L21 I25 Q26 T27	T19-K23 WeakPolarHBondContact O-CG 3.42Å; T19-K23 PolarHBondContact O-N 3.19Å; T19-K23 VanDerWaalsContact O-N 3.07Å; L20-K23 PolarHBondContact O-N 3.13Å; L21-K23 VanDerWaalsContact C-N 3.34Å; L21-K23 PolarHBondContact O-N 2.7Å; K23-I25 PolarHBondContact O-N 2.92Å; K23-Q26 PolarHBondContact O-N 3.34Å; K23-T27 PolarHBondContact O-N 3.36Å; K23-T27 PolarHBondContact O-OG1 3.34Å
24	G	56.1	Low	56.6	Low	34 Å²	34	114.1 Å²	114.1	35%	0.351	58%	0.582	S	S	.	*	H	α-helix	trans	-59.8	-43.8	174.5	0	0	0	0	0	112.9	L20 L21 T27 I28	L20-G24 PolarHBondContact O-N 3.32Å; L21-G24 PolarHBondContact O-N 2.92Å; G24-T27 PolarHBondContact O-N 3.17Å; G24-I28 WeakPolarHBondContact O-CG1 3.43Å; G24-I28 PolarHBondContact O-N 3.24Å; G24-I28 VanDerWaalsContact O-N 3.15Å
25	I	57.8	Low	55.5	Low	86 Å²	86	112.2 Å²	112.2	44%	0.441	59%	0.591	S	S	.	*	H	α-helix	trans	-67.6	-37.8	178.8	-65.2	166.7	0	0	0	111.6	L21 T22 K23 I28 K29	L21-I25 WeakPolarHBondContact O-CG1 3.43Å; L21-I25 PolarHBondContact O-N 3.37Å; T22-I25 PolarHBondContact O-N 3.45Å; K23-I25 PolarHBondContact O-N 2.92Å; I25-I28 PolarHBondContact O-N 3.49Å; I25-K29 HydrophobicContact CG2-CD 4.46Å; I25-K29 PolarHBondContact O-N 3.13Å
26	Q	57.9	Low	54.2	Low	134 Å²	134	113.8 Å²	113.8	63%	0.626	60%	0.6	S	S	*	*	H	α-helix	trans	-67.4	-35.9	175	-95.9	176.2	0.1	0	0	112.9	T22 K23 K29 K30	T22-Q26 PolarHBondContact O-N 2.94Å; K23-Q26 PolarHBondContact O-N 3.34Å; Q26-K29 PolarHBondContact O-N 3.15Å; Q26-K30 WeakPolarHBondContact O-CB 3.42Å; Q26-K30 PolarHBondContact O-N 3.38Å
27	T	57	Low	52.7	Low	80 Å²	80	113.4 Å²	113.4	49%	0.491	60%	0.602	S	S	.	*	H	α-helix	trans	-64.4	-43.2	174.8	-52.8	0	0	0	0	111	K23 G24 K30 E31	K23-T27 PolarHBondContact O-N 3.36Å; K23-T27 PolarHBondContact O-OG1 3.34Å; G24-T27 PolarHBondContact O-N 3.17Å; T27-K30 PolarHBondContact O-N 3.39Å; T27-K30 VanDerWaalsContact O-N 3.14Å; T27-E31 PolarHBondContact O-N 3.36Å; T27-E31 VanDerWaalsContact O-N 3.12Å
28	I	54.5	Low	51.5	Low	100 Å²	100	116.2 Å²	116.2	51%	0.513	62%	0.617	S	S	.	*	H	α-helix	trans	-63.5	-44.9	177.6	-64	164.9	0	0	0	110.9	G24 I25 K30 E31 E32	G24-I28 WeakPolarHBondContact O-CG1 3.43Å; G24-I28 PolarHBondContact O-N 3.24Å; G24-I28 VanDerWaalsContact O-N 3.15Å; I25-I28 PolarHBondContact O-N 3.49Å; I28-K30 PolarHBondContact O-N 3.13Å; I28-E31 PolarHBondContact O-N 3.1Å; I28-E32 PolarHBondContact O-N 3.48Å
29	K	53.9	Low	50.1	Low	135 Å²	135	119.5 Å²	119.5	59%	0.587	63%	0.629	S	S	*	*	H	α-helix	trans	-66.4	-20.9	176.2	-73.4	-173.8	176.6	-173.6	0	113.9	I25 Q26 N33	I25-K29 HydrophobicContact CG2-CD 4.46Å; I25-K29 PolarHBondContact O-N 3.13Å; Q26-K29 PolarHBondContact O-N 3.15Å; K29-N33 PolarHBondContact O-ND2 3.09Å
30	K	53	Low	49	Very low	170 Å²	170	122.9 Å²	122.9	74%	0.739	65%	0.645	S	S	*	*	H	α-helix	trans	-86.4	-23.6	177.7	-154.9	174	-175.9	-177.8	0	112.3	Q26 T27 I28	Q26-K30 WeakPolarHBondContact O-CB 3.42Å; Q26-K30 PolarHBondContact O-N 3.38Å; T27-K30 PolarHBondContact O-N 3.39Å; T27-K30 VanDerWaalsContact O-N 3.14Å; I28-K30 PolarHBondContact O-N 3.13Å
31	E	52.1	Low	47.7	Very low	140 Å²	140	123.8 Å²	123.8	65%	0.654	65%	0.65	S	S	*	*	H	α-helix	trans	-81.6	-27.7	174.6	-74.4	178.6	171.5	0	0	112.7	T27 I28 N33	T27-E31 PolarHBondContact O-N 3.36Å; T27-E31 VanDerWaalsContact O-N 3.12Å; I28-E31 PolarHBondContact O-N 3.1Å; E31-N33 VanDerWaalsContact C-N 3.26Å; E31-N33 PolarHBondContact O-N 3.08Å
32	E	48.8	Very low	46.7	Very low	146 Å²	146	122.9 Å²	122.9	68%	0.682	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-14	177.4	-71.5	-177.1	162.9	0	0	114.6	I28	I28-E32 PolarHBondContact O-N 3.48Å
33	N	46.3	Very low	45.5	Very low	138 Å²	138	126.2 Å²	126.2	74%	0.738	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	10.3	-178.7	-74.7	-58.3	0	0	0	114.6	K29 E31	K29-N33 PolarHBondContact O-ND2 3.09Å; E31-N33 VanDerWaalsContact C-N 3.26Å; E31-N33 PolarHBondContact O-N 3.08Å
34	N	43.6	Very low	44.1	Very low	144 Å²	144	126.6 Å²	126.6	77%	0.77	68%	0.677	S	S	*	*			trans	-125.5	9.3	-175	-120.5	6.6	0	0	0	115.9	N36	N34-N36 PolarHBondContact O-N 3.42Å
35	C	35.4	Very low	42.9	Very low	123 Å²	123	130 Å²	130	83%	0.831	70%	0.696	S	S	*	*			trans	-93.9	79.2	168.1	-76.7	0	0	0	0	109.6
36	N	33.6	Very low	42	Very low	159 Å²	159	135.2 Å²	135.2	85%	0.85	72%	0.718	S	S	*	*			trans	-78	128	169	-149.9	6.9	0	0	0	109.4	N34	N34-N36 PolarHBondContact O-N 3.42Å
37	V	32.6	Very low	40.7	Very low	109 Å²	109	136 Å²	136	66%	0.661	73%	0.725	S	S	*	*			trans	-53.9	132.8	-177.9	174.7	0	0	0	0	111.4
38	N	36.4	Very low	39.6	Very low	152 Å²	152	139.6 Å²	139.6	81%	0.813	74%	0.739	S	S	*	*			trans	-144.5	74.3	156.4	-144.2	17.4	0	0	0	109.6
39	D	32.7	Very low	38.2	Very low	135 Å²	135	140.1 Å²	140.1	72%	0.722	75%	0.752	S	S	*	*			trans	-70.6	120.7	157.2	-68.2	-43.6	0	0	0	107.5
40	N	37.5	Very low	37.3	Very low	138 Å²	138	139.5 Å²	139.5	74%	0.738	76%	0.759	S	S	*	*			trans	-171.5	131	151.1	-86.6	-38.2	0	0	0	111.9
41	N	37	Very low	36	Very low	146 Å²	146	137 Å²	137	78%	0.781	76%	0.764	S	S	*	*			trans	88.8	94.2	159.2	-53.3	-22.9	0	0	0	116.2
42	S	32	Very low	35.1	Very low	97 Å²	97	135.4 Å²	135.4	68%	0.678	77%	0.767	S	S	*	*				70.4	114.5	60.8	-164.9	0	0	0	0	113.7
43	L	35	Very low	34.3	Very low	142 Å²	142	135.8 Å²	135.8	74%	0.743	77%	0.774	S	S	*	*			trans	69.3	107.1	151.6	-63.1	164	0	0	0	117.6
44	N	34.2	Very low	33.6	Very low	150 Å²	150	137 Å²	137	80%	0.802	78%	0.779	S	S	*	*				175.8	133.5	95.9	-84	-41.7	0	0	0	112.2
45	S	30.9	Very low	33.1	Very low	107 Å²	107	137.4 Å²	137.4	75%	0.748	78%	0.781	S	S	*	*			trans	-61.4	135	169.2	46.6	0	0	0	0	112.8
46	E	37.7	Very low	32.9	Very low	194 Å²	194	137.2 Å²	137.2	91%	0.907	78%	0.781	S	S	*	*			trans	-158.7	137.7	138.5	-123.5	168.8	-174.7	0	0	112.9
47	I	30	Very low	32.8	Very low	152 Å²	152	134.7 Å²	134.7	78%	0.779	78%	0.776	S	S	*	*			trans	-81	124	-172.3	-66.4	159.9	0	0	0	108.8
48	I	35.1	Very low	32.8	Very low	154 Å²	154	134.3 Å²	134.3	79%	0.79	78%	0.777	S	S	*	*			trans	-138.4	110.3	156	-57.9	-177.8	0	0	0	109.5	V50	I48-V50 HydrophobicContact CG2-CG2 4.14Å
49	S	25.6	Very low	32.7	Very low	111 Å²	111	132.6 Å²	132.6	78%	0.776	77%	0.774	S	S	*	*			trans	-63.8	122.8	168.9	-48	0	0	0	0	110.5
50	V	33.1	Very low	32.8	Very low	123 Å²	123	130.9 Å²	130.9	75%	0.745	77%	0.769	S	S	*	*			trans	-137	116.7	162.8	-174.2	0	0	0	0	109.2	I48	I48-V50 HydrophobicContact CG2-CG2 4.14Å
51	S	26.4	Very low	32.7	Very low	118 Å²	118	130.2 Å²	130.2	83%	0.825	77%	0.765	S	S	*	*			trans	-42.7	136.5	170.3	-52.4	0	0	0	0	112.4
52	S	33.6	Very low	32.8	Very low	105 Å²	105	129.2 Å²	129.2	73%	0.734	75%	0.751	S	S	*	*			trans	-141.3	116.6	160.6	39.6	0	0	0	0	110	I54	S52-I54 PolarHBondContact O-N 2.95Å
53	D	31.2	Very low	33.2	Very low	154 Å²	154	127.4 Å²	127.4	82%	0.824	73%	0.731	S	S	*	*			trans	-53.8	122.6	169.8	-64.9	-57.6	0	0	0	109.9	N55	D53-N55 VanDerWaalsContact C-N 3.25Å; D53-N55 PolarHBondContact O-N 3.03Å
54	I	32.8	Very low	33.5	Very low	164 Å²	164	125 Å²	125	84%	0.841	72%	0.723	S	S	*	*			trans	-80.2	77.9	-179.6	-43.5	170.3	0	0	0	107.8	S52 S56	S52-I54 PolarHBondContact O-N 2.95Å; I54-S56 VanDerWaalsContact C-N 3.31Å; I54-S56 PolarHBondContact O-N 3Å
55	N	32.3	Very low	33.6	Very low	153 Å²	153	123.8 Å²	123.8	82%	0.818	72%	0.715	S	S	*	*			trans	-71.3	94.7	162.5	-91.6	-21.7	0	0	0	108.7	D53 S57	D53-N55 VanDerWaalsContact C-N 3.25Å; D53-N55 PolarHBondContact O-N 3.03Å; N55-S57 PolarHBondContact O-N 3.36Å
56	S	31	Very low	33.8	Very low	119 Å²	119	121.6 Å²	121.6	83%	0.832	70%	0.703	S	S	*	*			trans	-43.8	95.9	160.2	159.3	0	0	0	0	111.1	I54	I54-S56 VanDerWaalsContact C-N 3.31Å; I54-S56 PolarHBondContact O-N 3Å
57	S	31	Very low	33.5	Very low	105 Å²	105	121.5 Å²	121.5	73%	0.734	70%	0.703	S	S	*	*			trans	-147.5	85	164.3	-166.3	0	0	0	0	108.3	N55 P59	N55-S57 PolarHBondContact O-N 3.36Å; S57-P59 WeakPolarHBondContact O-CD 3.41Å
58	C	32.8	Very low	33.8	Very low	102 Å²	102	120.5 Å²	120.5	69%	0.689	70%	0.704	S	S	*	*			trans	-86.1	114.5	168	-115.8	0	0	0	0	108.1	V60	C58-V60 PolarHBondContact O-N 2.9Å
59	P	35.6	Very low	33.5	Very low	115 Å²	115	116.7 Å²	116.7	75%	0.747	70%	0.703	S	S	*	*			trans	-71.7	116.5	174	-9.2	26.2	0	0	0	108.7	S57 D61	S57-P59 WeakPolarHBondContact O-CD 3.41Å; P59-D61 PolarHBondContact O-N 3.35Å; P59-D61 VanDerWaalsContact O-N 3.08Å
60	V	34.7	Very low	33.9	Very low	100 Å²	100	120.2 Å²	120.2	61%	0.606	71%	0.707	S	S	*	*			trans	-74.9	92.4	175.6	-179.3	0	0	0	0	108.6	C58 A155	C58-V60 PolarHBondContact O-N 2.9Å; V60-A155 HydrophobicContact CG1-CB 4.46Å
61	D	34	Very low	33.8	Very low	123 Å²	123	124.7 Å²	124.7	66%	0.658	72%	0.717	S	S	*	*			trans	-138.1	162.6	161.2	-88	-39	0	0	0	111.4	P59	P59-D61 PolarHBondContact O-N 3.35Å; P59-D61 VanDerWaalsContact O-N 3.08Å
62	Y	40.2	Very low	34.3	Very low	126 Å²	126	124.3 Å²	124.3	49%	0.494	72%	0.715	S	S	.	*			trans	93.6	68.3	175.3	-54.5	-79.1	0	0	0	117.5	I92	Y62-I92 WeakPolarHBondContact OH-CG2 3.46Å
63	F	40.9	Very low	34.4	Very low	59 Å²	59	128 Å²	128	26%	0.259	72%	0.72	S	S	.	*	S	Bend		-96.1	108.3	119.6	-77.5	-76.5	0	0	0	106.4	L65 Y156 A159 V173	F63-L65 PolarHBondContact O-N 3.23Å; F63-Y156 AromaticContact CE1-CD2 3.96Å; F63-Y156 HydrophobicContact CE1-CD2 3.96Å; F63-Y156 HydrophobicContact CE1-CE2 4.4Å; F63-Y156 HydrophobicContact CE2-CD2 4.13Å; F63-Y156 AromaticContact CZ-CD2 3.46Å; F63-Y156 HydrophobicContact CZ-CD2 3.46Å; F63-Y156 VanDerWaalsContact CZ-CD2 3.46Å; F63-Y156 HydrophobicContact CZ-CE2 4.32Å; F63-Y156 HydrophobicContact CZ-CG 4.32Å; F63-A159 HydrophobicContact CB-CB 4.44Å; F63-A159 HydrophobicContact CD2-CB 3.46Å; F63-A159 VanDerWaalsContact CD2-CB 3.46Å; F63-A159 HydrophobicContact CE2-CB 3.91Å; F63-A159 HydrophobicContact CG-CB 3.97Å; F63-V173 HydrophobicContact CB-CG1 4.41Å; F63-V173 HydrophobicContact CD1-CG1 3.27Å; F63-V173 HydrophobicContact CE1-CG1 3.62Å; F63-V173 HydrophobicContact CG-CG1 3.83Å; F63-V173 HydrophobicContact CZ-CG1 4.43Å
64	T	41.5	Very low	34.6	Very low	92 Å²	92	128 Å²	128	56%	0.564	72%	0.718	S	S	*	*			trans	-48.7	112.5	179.3	-50.1	0	0	0	0	109.9	A66	T64-A66 PolarHBondContact O-N 2.9Å; T64-A66 VanDerWaalsContact O-N 3.16Å
65	L	35.3	Very low	35	Very low	123 Å²	123	129.1 Å²	129.1	64%	0.644	72%	0.722	S	S	*	*			trans	-58.7	114.2	160.6	-81.5	155.7	0	0	0	105.8	F63 E67	F63-L65 PolarHBondContact O-N 3.23Å; L65-E67 PolarHBondContact O-N 3.45Å; L65-E67 VanDerWaalsContact O-N 3.1Å
66	A	35.9	Very low	35.6	Very low	61 Å²	61	130.3 Å²	130.3	50%	0.504	72%	0.72	S	S	.	*			trans	-58.4	116.3	166.8	0	0	0	0	0	107.7	T64 T68	T64-A66 PolarHBondContact O-N 2.9Å; T64-A66 VanDerWaalsContact O-N 3.16Å; A66-T68 PolarHBondContact O-N 3.29Å
67	E	30.2	Very low	36.1	Very low	192 Å²	192	133.4 Å²	133.4	90%	0.897	72%	0.722	S	S	*	*			trans	-58.9	111.2	162.2	-72.9	170	149.1	0	0	108.2	L65	L65-E67 PolarHBondContact O-N 3.45Å; L65-E67 VanDerWaalsContact O-N 3.1Å
68	T	36.2	Very low	36.5	Very low	131 Å²	131	136 Å²	136	80%	0.804	73%	0.727	S	S	*	*			trans	-142	126.5	151.4	49.8	0	0	0	0	106.6	A66	A66-T68 PolarHBondContact O-N 3.29Å
69	G	29.5	Very low	37.4	Very low	74 Å²	74	138 Å²	138	76%	0.763	73%	0.73	S	S	*	*			trans	-66.6	148.8	-158	0	0	0	0	0	116.3
70	E	32.8	Very low	37.7	Very low	185 Å²	185	141.6 Å²	141.6	86%	0.864	74%	0.739	S	S	*	*			trans	-175.5	89.2	136.7	-106.5	177.6	168	0	0	107.5
71	F	32.6	Very low	38.3	Very low	217 Å²	217	143.8 Å²	143.8	95%	0.952	75%	0.746	S	S	*	*			trans	-127.8	67.2	158.3	-83.4	-77	0	0	0	107.4
72	S	35.8	Very low	38.9	Very low	111 Å²	111	141.4 Å²	141.4	78%	0.776	74%	0.738	S	S	*	*			trans	-86	131	135.4	-90.1	0	0	0	0	103.9
73	E	36.5	Very low	39.1	Very low	183 Å²	183	140.7 Å²	140.7	86%	0.855	75%	0.751	S	S	*	*			cis	-165.3	133.2	49.8	-156	147.2	-171.4	0	0	108.2	M75	E73-M75 PolarHBondContact O-N 2.93Å
74	I	36.1	Very low	39.5	Very low	153 Å²	153	144.8 Å²	144.8	79%	0.785	77%	0.771	S	S	*	*			trans	-78.6	108.6	-174.3	-61	159.1	0	0	0	108	K76	I74-K76 HydrophobicContact CG2-CG 4.22Å; I74-K76 PolarHBondContact O-N 2.98Å
75	M	40.1	Very low	39.8	Very low	187 Å²	187	147 Å²	147	92%	0.921	78%	0.778	S	S	*	*			trans	-87.1	105.5	161.6	-159.3	169.4	-170.3	0	0	108.4	E73	E73-M75 PolarHBondContact O-N 2.93Å
76	K	44	Very low	40.2	Very low	178 Å²	178	148.4 Å²	148.4	77%	0.774	79%	0.785	S	S	*	*			trans	-64.9	126.9	179.1	-60.3	172.2	179.6	178.8	0	110.3	I74	I74-K76 HydrophobicContact CG2-CG 4.22Å; I74-K76 PolarHBondContact O-N 2.98Å
77	Q	42.5	Very low	40.2	Very low	185 Å²	185	150.1 Å²	150.1	86%	0.864	79%	0.793	S	S	*	*			trans	-148.9	120.1	150.7	-117.4	159.2	2.5	0	0	110.3	I79	Q77-I79 PolarHBondContact O-N 3.42Å
78	D	38.8	Very low	40.4	Very low	158 Å²	158	148.5 Å²	148.5	85%	0.845	79%	0.791	S	S	*	*			trans	-59.9	119.6	-172.6	-65.8	-58.2	0	0	0	113
79	I	52.5	Low	40.5	Very low	145 Å²	145	150.4 Å²	150.4	74%	0.744	79%	0.791	S	S	*	*			trans	-135.5	100.1	153.6	-57.8	-179.2	0	0	0	106.6	Q77 L81	Q77-I79 PolarHBondContact O-N 3.42Å; I79-L81 HydrophobicContact CG2-CD1 4.26Å; I79-L81 HydrophobicContact CG2-CG 4.33Å; I79-L81 PolarHBondContact O-N 2.94Å; I79-L81 VanDerWaalsContact O-N 3.08Å
80	M	42.6	Very low	40.9	Very low	191 Å²	191	154.7 Å²	154.7	94%	0.941	79%	0.791	S	S	*	*			trans	-62.9	104.6	169.8	-77.7	-162.6	77.7	0	0	109.3
81	L	45.9	Very low	41.3	Very low	145 Å²	145	151 Å²	151	76%	0.759	78%	0.781	S	S	*	*			trans	-111.6	140.7	165.7	-91	159.8	0	0	0	109.9	I79	I79-L81 HydrophobicContact CG2-CD1 4.26Å; I79-L81 HydrophobicContact CG2-CG 4.33Å; I79-L81 PolarHBondContact O-N 2.94Å; I79-L81 VanDerWaalsContact O-N 3.08Å
82	P	47.1	Very low	42.3	Very low	74 Å²	74	144.5 Å²	144.5	48%	0.481	76%	0.755	S	S	.	*			trans	-62.5	136.3	-166.9	-22.7	33.5	0	0	0	114.6	H84	P82-H84 VanDerWaalsContact CB-CE1 3.41Å; P82-H84 WeakPolarHBondContact CB-CE1 3.49Å; P82-H84 WeakPolarHBondContact CB-ND1 3.3Å; P82-H84 PolarHBondContact O-N 3.41Å
83	S	45.6	Very low	42.7	Very low	111 Å²	111	147.7 Å²	147.7	78%	0.776	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	10.6	-174.4	38	0	0	0	0	117.3
84	H	48.6	Very low	43.9	Very low	145 Å²	145	148.7 Å²	148.7	67%	0.671	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	1.7	-178.3	64.6	-86.7	0	0	0	114.6	P82	P82-H84 VanDerWaalsContact CB-CE1 3.41Å; P82-H84 WeakPolarHBondContact CB-CE1 3.49Å; P82-H84 WeakPolarHBondContact CB-ND1 3.3Å; P82-H84 PolarHBondContact O-N 3.41Å
85	L	48.3	Very low	45.4	Very low	137 Å²	137	147.9 Å²	147.9	72%	0.717	75%	0.745	S	S	*	*	S	Bend	trans	-107.1	5.7	175.6	-81.9	148.3	0	0	0	113.3	S87	L85-S87 VanDerWaalsContact C-N 3.31Å; L85-S87 PolarHBondContact O-N 3.46Å
86	I	43.2	Very low	47.1	Very low	153 Å²	153	146.5 Å²	146.5	79%	0.785	74%	0.736	S	S	*	*			trans	-95	65.1	175	-51.1	171.8	0	0	0	107.7
87	S	36.3	Very low	49	Very low	98 Å²	98	139.8 Å²	139.8	69%	0.685	71%	0.706	S	S	*	*			trans	-133.7	18.6	176.3	180	0	0	0	0	112.3	L85 Q89	L85-S87 VanDerWaalsContact C-N 3.31Å; L85-S87 PolarHBondContact O-N 3.46Å; S87-Q89 PolarHBondContact O-N 3.05Å
88	N	33.5	Very low	51.2	Low	158 Å²	158	133.6 Å²	133.6	85%	0.845	68%	0.683	S	S	*	*			trans	-92.4	70.7	158.7	-66.1	-23.7	0	0	0	106.7	E90	N88-E90 PolarHBondContact O-N 2.89Å
89	Q	39.4	Very low	53.7	Low	171 Å²	171	130.6 Å²	130.6	80%	0.799	66%	0.664	S	S	*	*			trans	-61.8	98.4	164.4	-171.1	143.3	4.5	0	0	105.7	S87 T91	S87-Q89 PolarHBondContact O-N 3.05Å; Q89-T91 PolarHBondContact O-N 2.8Å
90	E	36.5	Very low	55.7	Low	163 Å²	163	128 Å²	128	76%	0.762	65%	0.645	S	S	*	*			trans	-65.5	72.9	175.9	-154.9	-175.7	174.7	0	0	107.9	N88 I92	N88-E90 PolarHBondContact O-N 2.89Å; E90-I92 HydrophobicContact CG-CD1 4.37Å; E90-I92 HydrophobicContact CG-CG1 3.69Å; E90-I92 PolarHBondContact O-N 3.37Å
91	T	41.2	Very low	58.1	Low	109 Å²	109	120.3 Å²	120.3	67%	0.669	61%	0.607	S	S	*	*			trans	-66	85.1	153.6	49.3	0	0	0	0	105	Q89 E93	Q89-T91 PolarHBondContact O-N 2.8Å; T91-E93 PolarHBondContact O-N 3.14Å
92	I	53.6	Low	60.4	Low	80 Å²	80	113.9 Å²	113.9	41%	0.41	57%	0.573	S	S	.	*			trans	-59.5	88.7	164.6	-57.6	174	0	0	0	104.8	Y62 E90 R94	Y62-I92 WeakPolarHBondContact OH-CG2 3.46Å; E90-I92 HydrophobicContact CG-CD1 4.37Å; E90-I92 HydrophobicContact CG-CG1 3.69Å; E90-I92 PolarHBondContact O-N 3.37Å; I92-R94 VanDerWaalsContact C-N 3.26Å; I92-R94 PolarHBondContact O-N 3.47Å
93	E	45.4	Very low	62.7	Low	177 Å²	177	110.3 Å²	110.3	83%	0.827	55%	0.55	S	S	*	*			trans	-55.9	101	165.4	-78	-173	170.1	0	0	105.3	T91 K95	T91-E93 PolarHBondContact O-N 3.14Å; E93-K95 VanDerWaalsContact C-N 3.3Å; E93-K95 PolarHBondContact O-N 3.11Å
94	R	59.9	Low	65.1	Low	204 Å²	204	105 Å²	105	77%	0.77	51%	0.513	S	S	*	.			trans	-66.3	97.5	-179.5	-65.2	-173.7	-175.5	92	-1.1	106	I92 E96	I92-R94 VanDerWaalsContact C-N 3.26Å; I92-R94 PolarHBondContact O-N 3.47Å; R94-E96 PolarHBondContact O-N 3.5Å
95	K	69.6	Low	67.3	Low	137 Å²	137	98.3 Å²	98.3	60%	0.596	48%	0.482	S	S	*	.			trans	-44	117.5	178.5	-178.7	174.5	-179.7	174.5	0	109.3	E93 Y97	E93-K95 VanDerWaalsContact C-N 3.3Å; E93-K95 PolarHBondContact O-N 3.11Å; K95-Y97 PolarHBondContact O-N 3.03Å
96	E	75.4	Confident	69.5	Low	158 Å²	158	93 Å²	93	74%	0.738	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-76.6	116.2	176.5	-64	-161.4	143.9	0	0	109.3	R94 R178	R94-E96 PolarHBondContact O-N 3.5Å; E96-R178 VanDerWaalsContact CA-NH1 3.31Å
97	Y	82.4	Confident	72.1	Confident	36 Å²	36	85.9 Å²	85.9	14%	0.141	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-74.6	133.8	171.4	-65.2	-67.3	0	0	0	109.8	K95 E101	K95-Y97 PolarHBondContact O-N 3.03Å; Y97-E101 WeakPolarHBondContact CA-OE2 3.47Å; Y97-E101 HydrophobicContact CD1-CB 4.32Å
98	S	90.1	Very high	74.9	Confident	56 Å²	56	81.4 Å²	81.4	39%	0.392	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-64	156.9	169.9	63.2	0	0	0	0	111.5	R100 E101 I102	S98-R100 PolarHBondContact O-N 2.99Å; S98-E101 PolarHBondContact N-OE2 3.48Å; S98-E101 PolarHBondContact O-N 3.36Å; S98-E101 VanDerWaalsContact O-N 3.08Å; S98-E101 WeakPolarHBondContact OG-CB 3.5Å; S98-E101 VanDerWaalsContact OG-CG 3.28Å; S98-E101 WeakPolarHBondContact OG-CG 3.43Å; S98-E101 PolarHBondContact OG-N 3.07Å; S98-E101 PolarHBondContact OG-OE2 3.44Å; S98-I102 WeakPolarHBondContact O-CG1 3.34Å; S98-I102 PolarHBondContact O-N 3Å
99	E	90.4	Very high	77.8	Confident	95 Å²	95	74.6 Å²	74.6	44%	0.444	35%	0.348	S	S	.	.	H	α-helix	trans	-57	-33.2	176.4	-173.2	150.2	-116.2	0	0	112.1	I102 T103 S182 K184 A185	E99-I102 PolarHBondContact O-N 3.1Å; E99-T103 WeakPolarHBondContact O-CB 3.31Å; E99-T103 PolarHBondContact O-N 2.98Å; E99-T103 PolarHBondContact O-OG1 3.45Å; E99-S182 PolarHBondContact OE1-OG 3.43Å; E99-K184 WeakPolarHBondContact OE1-CB 3.48Å; E99-A185 HydrophobicContact CG-CB 4.13Å
100	R	94.2	Very high	80.5	Confident	91 Å²	91	72.6 Å²	72.6	34%	0.343	33%	0.334	S	S	.	.	H	α-helix	trans	-69.8	-41.7	176.2	-166.8	63	174.8	-69	-10.6	112.6	S98 I102 T103 Y104 N140 F141 E143	S98-R100 PolarHBondContact O-N 2.99Å; R100-I102 VanDerWaalsContact C-N 3.33Å; R100-I102 PolarHBondContact O-N 3.36Å; R100-T103 WeakPolarHBondContact O-CB 3.39Å; R100-T103 PolarHBondContact O-N 2.74Å; R100-Y104 WeakPolarHBondContact O-CB 3.48Å; R100-Y104 PolarHBondContact O-N 3.23Å; R100-N140 PolarHBondContact NH2-O 3.39Å; R100-F141 HydrophobicContact CG-CD1 4.03Å; R100-F141 HydrophobicContact CG-CE1 4.16Å; R100-F141 VanDerWaalsContact NE-CE1 3.3Å; R100-E143 WeakPolarHBondContact CG-OE1 3.16Å; R100-E143 VanDerWaalsContact CZ-CD 3.48Å; R100-E143 IonicContact CZ-OE1 3.84Å; R100-E143 IonicContact CZ-OE2 3.3Å; R100-E143 IonicContact NE-OE1 4Å; R100-E143 PolarHBondContact NE-OE1 3.5Å; R100-E143 VanDerWaalsContact NE-OE1 3.16Å; R100-E143 IonicContact NH1-OE1 2.65Å; R100-E143 PolarHBondContact NH1-OE1 3.13Å; R100-E143 VanDerWaalsContact NH1-OE1 3.13Å; R100-E143 IonicContact NH1-OE2 3.36Å; R100-E143 PolarHBondContact NH1-OE2 2.93Å; R100-E143 IonicContact NH2-OE1 3.6Å; R100-E143 PolarHBondContact NH2-OE1 3.42Å; R100-E143 IonicContact NH2-OE2 2.84Å; R100-E143 PolarHBondContact NH2-OE2 3.12Å
101	E	93.5	Very high	83.4	Confident	28 Å²	28	64.9 Å²	64.9	13%	0.131	30%	0.298	C	S	.	.	H	α-helix	trans	-65.1	-36.8	173.1	-74.8	171.1	117.2	0	0	112	Y97 S98 Y104 N105 F144	Y97-E101 WeakPolarHBondContact CA-OE2 3.47Å; Y97-E101 HydrophobicContact CD1-CB 4.32Å; S98-E101 PolarHBondContact N-OE2 3.48Å; S98-E101 PolarHBondContact O-N 3.36Å; S98-E101 VanDerWaalsContact O-N 3.08Å; S98-E101 WeakPolarHBondContact OG-CB 3.5Å; S98-E101 VanDerWaalsContact OG-CG 3.28Å; S98-E101 WeakPolarHBondContact OG-CG 3.43Å; S98-E101 PolarHBondContact OG-N 3.07Å; S98-E101 PolarHBondContact OG-OE2 3.44Å; E101-Y104 PolarHBondContact O-N 3.04Å; E101-N105 PolarHBondContact O-N 3.2Å; E101-N105 PolarHBondContact O-ND2 3.35Å; E101-F144 HydrophobicContact CG-CE1 4.18Å; E101-F144 HydrophobicContact CG-CZ 3.77Å
102	I	93.6	Very high	86	Confident	10 Å²	10	59.7 Å²	59.7	5%	0.051	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-48.9	174.1	-66.7	173.4	0	0	0	109.7	S98 E99 R100 Y104 N105 L106 R178 Y179 A185	S98-I102 WeakPolarHBondContact O-CG1 3.34Å; S98-I102 PolarHBondContact O-N 3Å; E99-I102 PolarHBondContact O-N 3.1Å; R100-I102 VanDerWaalsContact C-N 3.33Å; R100-I102 PolarHBondContact O-N 3.36Å; I102-Y104 VanDerWaalsContact C-N 3.34Å; I102-Y104 PolarHBondContact O-N 2.87Å; I102-N105 PolarHBondContact O-N 3.41Å; I102-L106 HydrophobicContact CG2-CD1 4.17Å; I102-L106 WeakPolarHBondContact O-CG 3.38Å; I102-L106 PolarHBondContact O-N 3.48Å; I102-R178 HydrophobicContact CD1-CG 3.96Å; I102-Y179 HydrophobicContact CB-CD1 4.18Å; I102-Y179 HydrophobicContact CB-CE1 4.49Å; I102-Y179 HydrophobicContact CG1-CD1 4.3Å; I102-Y179 HydrophobicContact CG1-CE1 4.37Å; I102-Y179 HydrophobicContact CG2-CD1 3.67Å; I102-Y179 HydrophobicContact CG2-CE1 4.44Å; I102-Y179 HydrophobicContact CG2-CG 4.46Å; I102-A185 HydrophobicContact CB-CB 4.03Å; I102-A185 HydrophobicContact CG2-CB 3.52Å
103	T	95.7	Very high	87.9	Confident	0 Å²	0	59 Å²	59	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-55.4	-48.8	175.7	-54.7	0	0	0	0	111	E99 R100 N105 L106 L107 F141 A185 L188 A189 I192	E99-T103 WeakPolarHBondContact O-CB 3.31Å; E99-T103 PolarHBondContact O-N 2.98Å; E99-T103 PolarHBondContact O-OG1 3.45Å; R100-T103 WeakPolarHBondContact O-CB 3.39Å; R100-T103 PolarHBondContact O-N 2.74Å; T103-N105 PolarHBondContact O-N 3.03Å; T103-L106 PolarHBondContact O-N 3.03Å; T103-L107 PolarHBondContact O-N 3.03Å; T103-F141 HydrophobicContact CG2-CE1 4.26Å; T103-F141 HydrophobicContact CG2-CZ 4.01Å; T103-A185 VanDerWaalsContact OG1-CA 3.3Å; T103-A185 WeakPolarHBondContact OG1-CA 3.3Å; T103-A185 VanDerWaalsContact OG1-CB 3.3Å; T103-A185 WeakPolarHBondContact OG1-CB 3.25Å; T103-L188 HydrophobicContact CG2-CB 3.94Å; T103-L188 HydrophobicContact CG2-CD2 3.86Å; T103-L188 HydrophobicContact CG2-CG 3.74Å; T103-A189 HydrophobicContact CG2-CB 3.96Å; T103-I192 HydrophobicContact CG2-CD1 4.2Å
104	Y	96.6	Very high	90.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-56.2	-48.8	177.7	174.3	-91.1	0	0	0	111.9	R100 E101 I102 L106 L107 L108 L137 F141 F144 F148 H149 R152	R100-Y104 WeakPolarHBondContact O-CB 3.48Å; R100-Y104 PolarHBondContact O-N 3.23Å; E101-Y104 PolarHBondContact O-N 3.04Å; I102-Y104 VanDerWaalsContact C-N 3.34Å; I102-Y104 PolarHBondContact O-N 2.87Å; Y104-L106 PolarHBondContact O-N 3.34Å; Y104-L107 PolarHBondContact O-N 3.44Å; Y104-L108 HydrophobicContact CE1-CB 4.35Å; Y104-L108 HydrophobicContact CE1-CD2 3.94Å; Y104-L108 WeakPolarHBondContact O-CB 3.43Å; Y104-L108 PolarHBondContact O-N 3.15Å; Y104-L137 HydrophobicContact CD2-CD2 4.28Å; Y104-L137 HydrophobicContact CE2-CB 4.36Å; Y104-L137 HydrophobicContact CE2-CD1 4.37Å; Y104-L137 HydrophobicContact CE2-CD2 3.8Å; Y104-L137 HydrophobicContact CE2-CG 4.4Å; Y104-F141 HydrophobicContact CD2-CB 4.25Å; Y104-F141 HydrophobicContact CD2-CD1 4.06Å; Y104-F141 AromaticContact CD2-CD2 3.76Å; Y104-F141 HydrophobicContact CD2-CD2 3.76Å; Y104-F141 HydrophobicContact CD2-CE1 4.36Å; Y104-F141 HydrophobicContact CD2-CE2 4.11Å; Y104-F141 AromaticContact CD2-CG 3.75Å; Y104-F141 HydrophobicContact CD2-CG 3.75Å; Y104-F141 HydrophobicContact CD2-CZ 4.39Å; Y104-F141 HydrophobicContact CE2-CD2 4.46Å; Y104-F144 AromaticContact CD2-CD2 3.8Å; Y104-F144 HydrophobicContact CD2-CD2 3.8Å; Y104-F144 AromaticContact CD2-CE2 3.84Å; Y104-F144 HydrophobicContact CD2-CE2 3.84Å; Y104-F144 HydrophobicContact CE2-CD2 4.14Å; Y104-F144 HydrophobicContact CG-CD2 4.23Å; Y104-F144 AromaticContact CG-CE2 3.86Å; Y104-F144 HydrophobicContact CG-CE2 3.86Å; Y104-F148 HydrophobicContact CD1-CE1 4.1Å; Y104-F148 HydrophobicContact CE1-CD1 4.48Å; Y104-F148 AromaticContact CE1-CE1 3.66Å; Y104-F148 HydrophobicContact CE1-CE1 3.66Å; Y104-F148 HydrophobicContact CE1-CZ 4.38Å; Y104-F148 HydrophobicContact CE2-CE1 4.32Å; Y104-F148 AromaticContact CZ-CE1 3.78Å; Y104-H149 AromaticContact CE2-CE1 3.66Å; Y104-H149 AromaticContact CE2-ND1 3.33Å; Y104-H149 VanDerWaalsContact CE2-ND1 3.33Å; Y104-H149 WeakPolarHBondContact CE2-ND1 3.36Å; Y104-H149 AromaticContact CZ-ND1 3.61Å; Y104-H149 WeakPolarHBondContact OH-CA 3.39Å; Y104-H149 PolarHBondContact OH-ND1 3Å; Y104-H149 VanDerWaalsContact OH-ND1 3.12Å; Y104-R152 HydrophobicContact CE1-CB 3.95Å; Y104-R152 HydrophobicContact CE1-CG 3.84Å
105	N	94.3	Very high	92	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.016	21%	0.209	C	C	.	.	H	α-helix	trans	-67.2	-37.8	-178.8	-77.2	-71.6	0	0	0	111.6	E101 I102 T103 R109 Y179	E101-N105 PolarHBondContact O-N 3.2Å; E101-N105 PolarHBondContact O-ND2 3.35Å; I102-N105 PolarHBondContact O-N 3.41Å; T103-N105 PolarHBondContact O-N 3.03Å; N105-R109 WeakPolarHBondContact O-CB 3.43Å; N105-R109 WeakPolarHBondContact O-CD 3.38Å; N105-R109 WeakPolarHBondContact O-CG 3.43Å; N105-R109 PolarHBondContact O-N 3.04Å; N105-R109 VanDerWaalsContact O-N 3.16Å; N105-Y179 HydrophobicContact CB-CD1 4.22Å; N105-Y179 HydrophobicContact CB-CE1 3.5Å; N105-Y179 VanDerWaalsContact CB-CE1 3.5Å
106	L	95	Very high	93.3	Very high	26 Å²	26	39.9 Å²	39.9	14%	0.136	18%	0.184	C	C	.	.	H	α-helix	trans	-61.2	-48.7	174.7	-73.3	173.7	0	0	0	111.3	I102 T103 Y104 R109 R110 M175 Y179 A185 A189	I102-L106 HydrophobicContact CG2-CD1 4.17Å; I102-L106 WeakPolarHBondContact O-CG 3.38Å; I102-L106 PolarHBondContact O-N 3.48Å; T103-L106 PolarHBondContact O-N 3.03Å; Y104-L106 PolarHBondContact O-N 3.34Å; L106-R109 PolarHBondContact O-N 2.99Å; L106-R110 PolarHBondContact O-N 2.97Å; L106-M175 HydrophobicContact CD2-CE 3.62Å; L106-M175 HydrophobicContact CD2-SD 3.94Å; L106-Y179 HydrophobicContact CG-CD1 4.41Å; L106-A185 HydrophobicContact CD1-CB 4.32Å; L106-A189 HydrophobicContact CB-CB 3.79Å
107	L	96.5	Very high	94.2	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-62.8	-49.4	177.4	179.7	68.4	0	0	0	112.1	T103 Y104 R109 R110 L111 L137 F141 A189 I192 Y193	T103-L107 PolarHBondContact O-N 3.03Å; Y104-L107 PolarHBondContact O-N 3.44Å; L107-R109 PolarHBondContact O-N 3.14Å; L107-R110 WeakPolarHBondContact O-CB 3.34Å; L107-R110 PolarHBondContact O-N 3.12Å; L107-R110 VanDerWaalsContact O-N 3.08Å; L107-L111 HydrophobicContact CD1-CD1 4.3Å; L107-L111 HydrophobicContact CD1-CG 4.21Å; L107-L111 HydrophobicContact CD2-CD1 4.31Å; L107-L111 HydrophobicContact CG-CD1 3.91Å; L107-L111 HydrophobicContact CG-CG 4.21Å; L107-L111 WeakPolarHBondContact O-CG 3.45Å; L107-L111 PolarHBondContact O-N 3.33Å; L107-L137 HydrophobicContact CD2-CD2 4.09Å; L107-F141 HydrophobicContact CD2-CE2 3.63Å; L107-F141 HydrophobicContact CD2-CZ 4.3Å; L107-A189 HydrophobicContact CB-CB 4.33Å; L107-I192 HydrophobicContact CD1-CG2 4.26Å; L107-I192 HydrophobicContact CD2-CB 4.4Å; L107-I192 HydrophobicContact CD2-CG2 3.57Å; L107-Y193 HydrophobicContact CD1-CD2 4.4Å
108	L	96.8	Very high	94.8	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-53.3	-43	-179.3	175.7	71.7	0	0	0	111.4	Y104 L111 V112 L137 R152 I153	Y104-L108 HydrophobicContact CE1-CB 4.35Å; Y104-L108 HydrophobicContact CE1-CD2 3.94Å; Y104-L108 WeakPolarHBondContact O-CB 3.43Å; Y104-L108 PolarHBondContact O-N 3.15Å; L108-L111 PolarHBondContact O-N 3.24Å; L108-V112 HydrophobicContact CD1-CG2 4.14Å; L108-V112 HydrophobicContact CG-CG2 4.37Å; L108-V112 WeakPolarHBondContact O-CB 3.25Å; L108-V112 VanDerWaalsContact O-CG2 3.23Å; L108-V112 WeakPolarHBondContact O-CG2 3.35Å; L108-V112 PolarHBondContact O-N 3.26Å; L108-L137 HydrophobicContact CD1-CD1 3.81Å; L108-R152 HydrophobicContact CD2-CB 3.82Å; L108-I153 HydrophobicContact CD1-CG1 3.62Å
109	R	94.5	Very high	94.9	Very high	15 Å²	15	40.9 Å²	40.9	6%	0.057	18%	0.182	C	C	.	.	H	α-helix	trans	-64.2	-46	179.8	-70.5	177	63.1	112.3	21.7	111.5	N105 L106 L107 L111 V112 D113 Y156 V173 R174	N105-R109 WeakPolarHBondContact O-CB 3.43Å; N105-R109 WeakPolarHBondContact O-CD 3.38Å; N105-R109 WeakPolarHBondContact O-CG 3.43Å; N105-R109 PolarHBondContact O-N 3.04Å; N105-R109 VanDerWaalsContact O-N 3.16Å; L106-R109 PolarHBondContact O-N 2.99Å; L107-R109 PolarHBondContact O-N 3.14Å; R109-L111 VanDerWaalsContact C-N 3.34Å; R109-L111 PolarHBondContact O-N 3.48Å; R109-V112 PolarHBondContact O-N 3.23Å; R109-D113 VanDerWaalsContact O-CB 3.28Å; R109-D113 WeakPolarHBondContact O-CB 3.35Å; R109-D113 PolarHBondContact O-N 3.28Å; R109-Y156 HydrophobicContact CB-CE1 4.44Å; R109-Y156 HydrophobicContact CB-CE2 4.28Å; R109-Y156 HydrophobicContact CG-CD2 4.01Å; R109-Y156 HydrophobicContact CG-CE1 4.35Å; R109-Y156 HydrophobicContact CG-CE2 3.51Å; R109-Y156 PolarHBondContact NH2-OH 2.88Å; R109-V173 VanDerWaalsContact NH1-CG1 3.35Å; R109-V173 PolarHBondContact NH2-O 2.97Å; R109-R174 PolarHBondContact NH1-O 2.87Å
110	R	95.1	Very high	95.1	Very high	129 Å²	129	38.9 Å²	38.9	49%	0.487	17%	0.173	S	C	.	.	H	α-helix	trans	-57.3	-48.5	175.5	-175	65.4	-178.6	166.4	4	111.1	L106 L107 D113 E114 Y193	L106-R110 PolarHBondContact O-N 2.97Å; L107-R110 WeakPolarHBondContact O-CB 3.34Å; L107-R110 PolarHBondContact O-N 3.12Å; L107-R110 VanDerWaalsContact O-N 3.08Å; R110-D113 PolarHBondContact O-N 3.3Å; R110-E114 WeakPolarHBondContact O-CB 3.36Å; R110-E114 PolarHBondContact O-N 3.06Å; R110-E114 VanDerWaalsContact O-N 3.13Å; R110-Y193 HydrophobicContact CG-CD2 3.75Å; R110-Y193 HydrophobicContact CG-CE2 3.69Å; R110-Y193 HydrophobicContact CG-CG 4.18Å
111	L	96.8	Very high	95.2	Very high	2 Å²	2	37 Å²	37	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-62.4	-45.5	179.6	-67.4	177.7	0	0	0	112.8	L107 L108 R109 E114 Y115 L133 L137 Y193 L200	L107-L111 HydrophobicContact CD1-CD1 4.3Å; L107-L111 HydrophobicContact CD1-CG 4.21Å; L107-L111 HydrophobicContact CD2-CD1 4.31Å; L107-L111 HydrophobicContact CG-CD1 3.91Å; L107-L111 HydrophobicContact CG-CG 4.21Å; L107-L111 WeakPolarHBondContact O-CG 3.45Å; L107-L111 PolarHBondContact O-N 3.33Å; L108-L111 PolarHBondContact O-N 3.24Å; R109-L111 VanDerWaalsContact C-N 3.34Å; R109-L111 PolarHBondContact O-N 3.48Å; L111-E114 PolarHBondContact O-N 3.35Å; L111-Y115 HydrophobicContact CD2-CD2 4.19Å; L111-Y115 HydrophobicContact CD2-CE2 3.99Å; L111-Y115 WeakPolarHBondContact O-CB 3.41Å; L111-Y115 WeakPolarHBondContact O-CD2 3.08Å; L111-Y115 PolarHBondContact O-N 2.97Å; L111-L133 HydrophobicContact CB-CD2 4.16Å; L111-L133 HydrophobicContact CD1-CD2 4.48Å; L111-L133 HydrophobicContact CD2-CD2 4.19Å; L111-L137 HydrophobicContact CD1-CD2 3.89Å; L111-L137 HydrophobicContact CD1-CG 4.23Å; L111-Y193 HydrophobicContact CD2-CD2 4.17Å; L111-Y193 HydrophobicContact CD2-CE2 4.42Å; L111-L200 HydrophobicContact CD2-CD1 3.46Å; L111-L200 VanDerWaalsContact CD2-CD1 3.46Å
112	V	96.2	Very high	95.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-68.9	-39.9	179.9	173.5	0	0	0	0	111.2	L108 R109 E114 L116 R118 I153 Y156 L157	L108-V112 HydrophobicContact CD1-CG2 4.14Å; L108-V112 HydrophobicContact CG-CG2 4.37Å; L108-V112 WeakPolarHBondContact O-CB 3.25Å; L108-V112 VanDerWaalsContact O-CG2 3.23Å; L108-V112 WeakPolarHBondContact O-CG2 3.35Å; L108-V112 PolarHBondContact O-N 3.26Å; R109-V112 PolarHBondContact O-N 3.23Å; V112-E114 VanDerWaalsContact C-N 3.25Å; V112-E114 PolarHBondContact O-N 3.15Å; V112-L116 HydrophobicContact CB-CD1 4.37Å; V112-L116 HydrophobicContact CG1-CB 4.15Å; V112-L116 HydrophobicContact CG1-CD1 4.11Å; V112-L116 HydrophobicContact CG2-CD1 4.01Å; V112-L116 PolarHBondContact O-N 3.4Å; V112-R118 HydrophobicContact CG1-CG 4.46Å; V112-I153 HydrophobicContact CG2-CG2 4.43Å; V112-Y156 HydrophobicContact CB-CD1 3.54Å; V112-Y156 HydrophobicContact CB-CE1 3.65Å; V112-Y156 HydrophobicContact CG1-CD1 3.43Å; V112-Y156 VanDerWaalsContact CG1-CD1 3.43Å; V112-Y156 HydrophobicContact CG1-CE1 3.62Å; V112-Y156 HydrophobicContact CG2-CD1 3.84Å; V112-Y156 HydrophobicContact CG2-CE1 4.41Å; V112-L157 HydrophobicContact CG1-CD2 3.69Å; V112-L157 HydrophobicContact CG1-CG 4.32Å
113	D	94.1	Very high	95.5	Very high	65 Å²	65	40.7 Å²	40.7	35%	0.348	20%	0.197	S	C	.	.	H	α-helix	trans	-65.6	-29.7	-180	-72.5	-20.1	0	0	0	112.3	R109 R110 R118 Y156	R109-D113 VanDerWaalsContact O-CB 3.28Å; R109-D113 WeakPolarHBondContact O-CB 3.35Å; R109-D113 PolarHBondContact O-N 3.28Å; R110-D113 PolarHBondContact O-N 3.3Å; D113-R118 WeakPolarHBondContact OD1-CD 3.48Å; D113-R118 IonicContact OD1-CZ 3.8Å; D113-R118 IonicContact OD1-NE 3.41Å; D113-R118 IonicContact OD1-NH1 2.94Å; D113-R118 PolarHBondContact OD1-NH1 3.2Å; D113-R118 IonicContact OD2-NH1 3.83Å; D113-Y156 PolarHBondContact OD1-OH 3.49Å; D113-Y156 PolarHBondContact OD2-OH 3.21Å; D113-Y156 VanDerWaalsContact OD2-OH 3.12Å
114	E	95.7	Very high	95.5	Very high	75 Å²	75	47.6 Å²	47.6	35%	0.35	23%	0.229	S	C	.	.	H	α-helix	trans	-90.3	-43.8	-178.7	-176.2	174.2	-165.3	0	0	114	R110 L111 V112 Y193 H197	R110-E114 WeakPolarHBondContact O-CB 3.36Å; R110-E114 PolarHBondContact O-N 3.06Å; R110-E114 VanDerWaalsContact O-N 3.13Å; L111-E114 PolarHBondContact O-N 3.35Å; V112-E114 VanDerWaalsContact C-N 3.25Å; V112-E114 PolarHBondContact O-N 3.15Å; E114-Y193 PolarHBondContact OE1-OH 2.9Å; E114-Y193 WeakPolarHBondContact OE2-CE2 3.3Å; E114-Y193 PolarHBondContact OE2-OH 2.73Å; E114-H197 IonicContact OE1-CE1 3.59Å; E114-H197 PolarHBondContact OE1-CE1 3.11Å; E114-H197 VanDerWaalsContact OE1-CE1 3.3Å; E114-H197 IonicContact OE1-ND1 2.64Å
115	Y	96	Very high	95.5	Very high	26 Å²	26	47.9 Å²	47.9	10%	0.102	23%	0.23	C	C	.	.	H	α-helix	trans	-105.3	-14.9	-167.2	-62.6	-74.1	0	0	0	114.6	L111 L133 H197 L200 I204	L111-Y115 HydrophobicContact CD2-CD2 4.19Å; L111-Y115 HydrophobicContact CD2-CE2 3.99Å; L111-Y115 WeakPolarHBondContact O-CB 3.41Å; L111-Y115 WeakPolarHBondContact O-CD2 3.08Å; L111-Y115 PolarHBondContact O-N 2.97Å; Y115-L133 HydrophobicContact CD2-CD2 3.93Å; Y115-L133 HydrophobicContact CG-CD2 4.27Å; Y115-H197 PolarHBondContact OH-ND1 3Å; Y115-L200 HydrophobicContact CE1-CB 4.31Å; Y115-L200 HydrophobicContact CE2-CB 4.35Å; Y115-L200 HydrophobicContact CE2-CD1 3.82Å; Y115-I204 HydrophobicContact CD1-CD1 3.24Å; Y115-I204 HydrophobicContact CE1-CD1 3.67Å; Y115-I204 HydrophobicContact CG-CD1 3.81Å
116	L	96.5	Very high	95.6	Very high	15 Å²	15	50.2 Å²	50.2	8%	0.079	25%	0.246	C	C	.	.	S	Bend	trans	-117.9	154.2	-176.1	-59.3	-177.9	0	0	0	112.5	V112 R118 Q125 I129 L130 L133 I153	V112-L116 HydrophobicContact CB-CD1 4.37Å; V112-L116 HydrophobicContact CG1-CB 4.15Å; V112-L116 HydrophobicContact CG1-CD1 4.11Å; V112-L116 HydrophobicContact CG2-CD1 4.01Å; V112-L116 PolarHBondContact O-N 3.4Å; L116-R118 PolarHBondContact O-N 3.03Å; L116-Q125 HydrophobicContact CD2-CB 4.49Å; L116-Q125 HydrophobicContact CD2-CG 4.49Å; L116-I129 HydrophobicContact CD2-CB 4.27Å; L116-I129 HydrophobicContact CD2-CG2 3.62Å; L116-L130 HydrophobicContact CD1-CD2 3.94Å; L116-L130 HydrophobicContact CD2-CD2 3.99Å; L116-L133 HydrophobicContact CD1-CD1 3.89Å; L116-L133 HydrophobicContact CD2-CD1 3.93Å; L116-L133 HydrophobicContact CG-CD1 3.73Å; L116-I153 HydrophobicContact CD1-CG2 3.96Å
117	D	94.7	Very high	95.6	Very high	73 Å²	73	55 Å²	55	39%	0.39	27%	0.265	S	S	.	.			trans	-84.1	110.2	171.8	-179.5	-0.4	0	0	0	110.5	K119 I120 Q125	D117-K119 PolarHBondContact O-N 3.31Å; D117-K119 VanDerWaalsContact O-N 3.15Å; D117-K119 VanDerWaalsContact OD1-CB 3.3Å; D117-K119 WeakPolarHBondContact OD1-CB 3.35Å; D117-K119 PolarHBondContact OD1-N 3.4Å; D117-I120 HydrophobicContact CB-CD1 3.99Å; D117-I120 HydrophobicContact CB-CG1 3.98Å; D117-I120 WeakPolarHBondContact O-CG1 3.43Å; D117-I120 PolarHBondContact O-N 3.41Å; D117-Q125 PolarHBondContact O-NE2 3.42Å
118	R	94.7	Very high	95.5	Very high	59 Å²	59	58.4 Å²	58.4	22%	0.223	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-14.9	-178.1	-57.5	-176.7	-60.7	-177	3.3	113.9	V112 D113 L116 C160 R161 P171	V112-R118 HydrophobicContact CG1-CG 4.46Å; D113-R118 WeakPolarHBondContact OD1-CD 3.48Å; D113-R118 IonicContact OD1-CZ 3.8Å; D113-R118 IonicContact OD1-NE 3.41Å; D113-R118 IonicContact OD1-NH1 2.94Å; D113-R118 PolarHBondContact OD1-NH1 3.2Å; D113-R118 IonicContact OD2-NH1 3.83Å; L116-R118 PolarHBondContact O-N 3.03Å; R118-C160 HydrophobicContact CB-CB 4.02Å; R118-R161 VanDerWaalsContact O-CG 3.27Å; R118-R161 WeakPolarHBondContact O-CG 3.06Å; R118-P171 HydrophobicContact CB-CB 3.86Å; R118-P171 HydrophobicContact CB-CG 3.85Å; R118-P171 PolarHBondContact NH1-O 2.85Å; R118-P171 VanDerWaalsContact NH1-O 3.16Å; R118-P171 PolarHBondContact NH2-O 3.3Å
119	K	92.5	Very high	95.5	Very high	140 Å²	140	58.8 Å²	58.8	61%	0.609	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-25.3	-179.2	-61.2	-179.9	179.9	178.7	0	112.6	D117 R161	D117-K119 PolarHBondContact O-N 3.31Å; D117-K119 VanDerWaalsContact O-N 3.15Å; D117-K119 VanDerWaalsContact OD1-CB 3.3Å; D117-K119 WeakPolarHBondContact OD1-CB 3.35Å; D117-K119 PolarHBondContact OD1-N 3.4Å; K119-R161 WeakPolarHBondContact O-CD 3.23Å
120	I	93.9	Very high	95.6	Very high	53 Å²	53	58.2 Å²	58.2	27%	0.272	28%	0.279	S	S	.	.	S	Bend	trans	-99.1	166.4	-176.6	71.4	-177.9	0	0	0	112.6	D117 H124 Q125 R161	D117-I120 HydrophobicContact CB-CD1 3.99Å; D117-I120 HydrophobicContact CB-CG1 3.98Å; D117-I120 WeakPolarHBondContact O-CG1 3.43Å; D117-I120 PolarHBondContact O-N 3.41Å; I120-H124 HydrophobicContact CB-CB 4.37Å; I120-H124 HydrophobicContact CD1-CB 4.19Å; I120-Q125 HydrophobicContact CD1-CG 4.46Å; I120-Q125 HydrophobicContact CG1-CG 4.38Å; I120-R161 PolarHBondContact O-NH1 2.94Å
121	T	96.4	Very high	95.6	Very high	52 Å²	52	53.9 Å²	53.9	32%	0.319	27%	0.274	S	S	.	.			trans	-83.6	159.3	176.8	65.4	0	0	0	0	111.3	S123 H124 Q125	T121-S123 PolarHBondContact O-N 2.9Å; T121-S123 VanDerWaalsContact O-N 3.15Å; T121-H124 PolarHBondContact O-N 3.45Å; T121-H124 PolarHBondContact OG1-ND1 3.03Å; T121-Q125 PolarHBondContact O-N 3.47Å
122	Y	97.1	Very high	95.6	Very high	32 Å²	32	54.8 Å²	54.8	13%	0.125	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-50.4	-41.1	179	-176.6	-85.6	0	0	0	112.7	H124 Q125 L130 R150 I153 C154	Y122-H124 PolarHBondContact O-N 2.89Å; Y122-Q125 PolarHBondContact O-N 2.82Å; Y122-L130 HydrophobicContact CD1-CD1 4.14Å; Y122-L130 HydrophobicContact CD2-CD1 4.22Å; Y122-L130 HydrophobicContact CD2-CD2 4.03Å; Y122-L130 HydrophobicContact CE1-CD1 3.76Å; Y122-L130 HydrophobicContact CE2-CD1 3.87Å; Y122-L130 HydrophobicContact CE2-CD2 3.64Å; Y122-L130 HydrophobicContact CE2-CG 4.32Å; Y122-L130 HydrophobicContact CG-CD1 4.34Å; Y122-R150 HydrophobicContact CE1-CG 4.2Å; Y122-R150 HydrophobicContact CE2-CG 4.25Å; Y122-I153 HydrophobicContact CD2-CB 4.23Å; Y122-I153 HydrophobicContact CD2-CG2 3.72Å; Y122-I153 HydrophobicContact CE2-CB 4.12Å; Y122-I153 HydrophobicContact CE2-CD1 4.4Å; Y122-I153 HydrophobicContact CE2-CG2 3.87Å; Y122-C154 VanDerWaalsContact CB-SG 3.51Å; Y122-C154 VanDerWaalsContact CD2-SG 3.53Å
123	S	96.5	Very high	95.6	Very high	83 Å²	83	55 Å²	55	58%	0.58	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-61.4	-29.8	-178.7	-53.2	0	0	0	0	113.8	T121 K127	T121-S123 PolarHBondContact O-N 2.9Å; T121-S123 VanDerWaalsContact O-N 3.15Å; S123-K127 PolarHBondContact O-NZ 3.46Å
124	H	96.4	Very high	95.7	Very high	144 Å²	144	53.7 Å²	53.7	67%	0.667	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-94.7	-5.4	-177.7	-63.8	88	0	0	0	113.7	I120 T121 Y122	I120-H124 HydrophobicContact CB-CB 4.37Å; I120-H124 HydrophobicContact CD1-CB 4.19Å; T121-H124 PolarHBondContact O-N 3.45Å; T121-H124 PolarHBondContact OG1-ND1 3.03Å; Y122-H124 PolarHBondContact O-N 2.89Å
125	Q	96.7	Very high	95.8	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.028	27%	0.27	C	S	.	.	S	Bend	trans	-66.6	149.6	174.5	-60.3	-68.7	-13.6	0	0	110.7	L116 D117 I120 T121 Y122 K127 L130 L157	L116-Q125 HydrophobicContact CD2-CB 4.49Å; L116-Q125 HydrophobicContact CD2-CG 4.49Å; D117-Q125 PolarHBondContact O-NE2 3.42Å; I120-Q125 HydrophobicContact CD1-CG 4.46Å; I120-Q125 HydrophobicContact CG1-CG 4.38Å; T121-Q125 PolarHBondContact O-N 3.47Å; Y122-Q125 PolarHBondContact O-N 2.82Å; Q125-K127 PolarHBondContact O-N 2.88Å; Q125-K127 VanDerWaalsContact O-N 3.14Å; Q125-L130 HydrophobicContact CB-CD1 3.7Å; Q125-L130 HydrophobicContact CB-CD2 4.06Å; Q125-L130 HydrophobicContact CB-CG 3.81Å; Q125-L130 HydrophobicContact CG-CD1 4.48Å; Q125-L130 HydrophobicContact CG-CD2 4.31Å; Q125-L157 HydrophobicContact CG-CD1 4.26Å
126	P	95.9	Very high	95.8	Very high	52 Å²	52	51.2 Å²	51.2	34%	0.338	27%	0.265	S	S	.	.			trans	-57	119.2	171.3	-23	33.6	0	0	0	111.5	Y128 I129 L130	P126-Y128 VanDerWaalsContact C-N 3.27Å; P126-Y128 HydrophobicContact CB-CD1 3.81Å; P126-Y128 HydrophobicContact CB-CE1 3.47Å; P126-Y128 VanDerWaalsContact CB-CE1 3.47Å; P126-Y128 HydrophobicContact CG-CE1 4.49Å; P126-Y128 PolarHBondContact O-N 2.93Å; P126-I129 HydrophobicContact CB-CB 4.46Å; P126-I129 HydrophobicContact CB-CD1 3.96Å; P126-I129 HydrophobicContact CB-CG1 4.01Å; P126-I129 HydrophobicContact CG-CD1 3.97Å; P126-I129 PolarHBondContact O-N 3.32Å; P126-I129 VanDerWaalsContact O-N 3.15Å; P126-L130 PolarHBondContact O-N 3.4Å; P126-L130 VanDerWaalsContact O-N 3.16Å
127	K	94.6	Very high	95.9	Very high	127 Å²	127	50.5 Å²	50.5	55%	0.552	26%	0.262	S	S	*	.	H	α-helix	trans	-61.5	-34.3	-173.3	-60	-57.8	178.5	-166.6	0	113.3	S123 Q125 L130 G131	S123-K127 PolarHBondContact O-NZ 3.46Å; Q125-K127 PolarHBondContact O-N 2.88Å; Q125-K127 VanDerWaalsContact O-N 3.14Å; K127-L130 HydrophobicContact CD-CD1 4.38Å; K127-L130 PolarHBondContact O-N 3.5Å; K127-G131 PolarHBondContact O-N 3.31Å
128	Y	94.5	Very high	96	Very high	76 Å²	76	50.4 Å²	50.4	30%	0.298	26%	0.259	S	S	.	.	H	α-helix	trans	-63.6	-43	177.3	75.1	-90.3	0	0	0	111.6	P126 G131 V132 I204 A207 K208	P126-Y128 VanDerWaalsContact C-N 3.27Å; P126-Y128 HydrophobicContact CB-CD1 3.81Å; P126-Y128 HydrophobicContact CB-CE1 3.47Å; P126-Y128 VanDerWaalsContact CB-CE1 3.47Å; P126-Y128 HydrophobicContact CG-CE1 4.49Å; P126-Y128 PolarHBondContact O-N 2.93Å; Y128-G131 PolarHBondContact O-N 3.18Å; Y128-V132 WeakPolarHBondContact O-CG2 3.36Å; Y128-V132 PolarHBondContact O-N 3.38Å; Y128-I204 HydrophobicContact CE2-CG2 4.22Å; Y128-A207 HydrophobicContact CD2-CB 3.33Å; Y128-A207 HydrophobicContact CE2-CB 3.56Å; Y128-A207 HydrophobicContact CG-CB 3.98Å; Y128-K208 WeakPolarHBondContact OH-CG 3.33Å
129	I	96.3	Very high	96	Very high	10 Å²	10	53.2 Å²	53.2	5%	0.051	27%	0.27	C	S	.	.	H	α-helix	trans	-64.1	-46.6	177.1	-56.9	-179.9	0	0	0	109.7	L116 P126 G131 V132 L133 I204	L116-I129 HydrophobicContact CD2-CB 4.27Å; L116-I129 HydrophobicContact CD2-CG2 3.62Å; P126-I129 HydrophobicContact CB-CB 4.46Å; P126-I129 HydrophobicContact CB-CD1 3.96Å; P126-I129 HydrophobicContact CB-CG1 4.01Å; P126-I129 HydrophobicContact CG-CD1 3.97Å; P126-I129 PolarHBondContact O-N 3.32Å; P126-I129 VanDerWaalsContact O-N 3.15Å; I129-G131 VanDerWaalsContact C-N 3.29Å; I129-G131 PolarHBondContact O-N 2.95Å; I129-V132 PolarHBondContact O-N 3.31Å; I129-L133 HydrophobicContact CG2-CD1 4.12Å; I129-L133 HydrophobicContact CG2-CG 4.16Å; I129-L133 WeakPolarHBondContact O-CG 3.28Å; I129-L133 PolarHBondContact O-N 2.9Å; I129-I204 HydrophobicContact CD1-CG2 4.38Å; I129-I204 HydrophobicContact CG1-CG1 4.45Å; I129-I204 HydrophobicContact CG1-CG2 4.32Å; I129-I204 HydrophobicContact CG2-CD1 4.04Å
130	L	96.9	Very high	96.2	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-57.3	-43.3	176.4	-71.3	178.5	0	0	0	112	L116 Y122 Q125 P126 K127 L133 K134 I153	L116-L130 HydrophobicContact CD1-CD2 3.94Å; L116-L130 HydrophobicContact CD2-CD2 3.99Å; Y122-L130 HydrophobicContact CD1-CD1 4.14Å; Y122-L130 HydrophobicContact CD2-CD1 4.22Å; Y122-L130 HydrophobicContact CD2-CD2 4.03Å; Y122-L130 HydrophobicContact CE1-CD1 3.76Å; Y122-L130 HydrophobicContact CE2-CD1 3.87Å; Y122-L130 HydrophobicContact CE2-CD2 3.64Å; Y122-L130 HydrophobicContact CE2-CG 4.32Å; Y122-L130 HydrophobicContact CG-CD1 4.34Å; Q125-L130 HydrophobicContact CB-CD1 3.7Å; Q125-L130 HydrophobicContact CB-CD2 4.06Å; Q125-L130 HydrophobicContact CB-CG 3.81Å; Q125-L130 HydrophobicContact CG-CD1 4.48Å; Q125-L130 HydrophobicContact CG-CD2 4.31Å; P126-L130 PolarHBondContact O-N 3.4Å; P126-L130 VanDerWaalsContact O-N 3.16Å; K127-L130 HydrophobicContact CD-CD1 4.38Å; K127-L130 PolarHBondContact O-N 3.5Å; L130-L133 PolarHBondContact O-N 3.05Å; L130-K134 WeakPolarHBondContact O-CB 3.37Å; L130-K134 VanDerWaalsContact O-CG 3.31Å; L130-K134 WeakPolarHBondContact O-CG 3.33Å; L130-K134 PolarHBondContact O-N 3.44Å; L130-I153 HydrophobicContact CD2-CG2 4.36Å
131	G	95.6	Very high	96.4	Very high	37 Å²	37	45 Å²	45	38%	0.381	23%	0.233	S	C	.	.	H	α-helix	trans	-60.5	-47.8	176.7	0	0	0	0	0	112.4	K127 Y128 I129 K134 C135	K127-G131 PolarHBondContact O-N 3.31Å; Y128-G131 PolarHBondContact O-N 3.18Å; I129-G131 VanDerWaalsContact C-N 3.29Å; I129-G131 PolarHBondContact O-N 2.95Å; G131-K134 PolarHBondContact O-N 3.29Å; G131-C135 WeakPolarHBondContact O-CB 3.42Å; G131-C135 PolarHBondContact O-N 3.16Å
132	V	96.2	Very high	96.4	Very high	22 Å²	22	47.1 Å²	47.1	13%	0.133	25%	0.248	C	C	.	.	H	α-helix	trans	-61.4	-46.6	178.1	171.7	0	0	0	0	111.4	Y128 I129 K134 C135 V136 L200 M203 I204	Y128-V132 WeakPolarHBondContact O-CG2 3.36Å; Y128-V132 PolarHBondContact O-N 3.38Å; I129-V132 PolarHBondContact O-N 3.31Å; V132-K134 PolarHBondContact O-N 3.22Å; V132-C135 PolarHBondContact O-N 3.46Å; V132-V136 PolarHBondContact O-N 3.44Å; V132-V136 VanDerWaalsContact O-N 3.08Å; V132-L200 HydrophobicContact CG1-CD2 3.68Å; V132-M203 HydrophobicContact CG1-CB 4.09Å; V132-M203 HydrophobicContact CG2-CB 3.96Å; V132-I204 HydrophobicContact CG1-CG1 4.32Å
133	L	97.1	Very high	96.3	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-43.9	178.8	-68	-174.5	0	0	0	112.3	L111 Y115 L116 I129 L130 V136 L137 L200	L111-L133 HydrophobicContact CB-CD2 4.16Å; L111-L133 HydrophobicContact CD1-CD2 4.48Å; L111-L133 HydrophobicContact CD2-CD2 4.19Å; Y115-L133 HydrophobicContact CD2-CD2 3.93Å; Y115-L133 HydrophobicContact CG-CD2 4.27Å; L116-L133 HydrophobicContact CD1-CD1 3.89Å; L116-L133 HydrophobicContact CD2-CD1 3.93Å; L116-L133 HydrophobicContact CG-CD1 3.73Å; I129-L133 HydrophobicContact CG2-CD1 4.12Å; I129-L133 HydrophobicContact CG2-CG 4.16Å; I129-L133 WeakPolarHBondContact O-CG 3.28Å; I129-L133 PolarHBondContact O-N 2.9Å; L130-L133 PolarHBondContact O-N 3.05Å; L133-V136 PolarHBondContact O-N 3.42Å; L133-L137 WeakPolarHBondContact O-CG 3.28Å; L133-L137 PolarHBondContact O-N 3.42Å; L133-L200 HydrophobicContact CD2-CD2 3.83Å
134	K	96.5	Very high	96.3	Very high	39 Å²	39	47.7 Å²	47.7	17%	0.17	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-43.8	176.5	-72.3	-166.3	-53.7	140.6	0	111.6	L130 G131 V132 V136 L137 E138 D146 I153	L130-K134 WeakPolarHBondContact O-CB 3.37Å; L130-K134 VanDerWaalsContact O-CG 3.31Å; L130-K134 WeakPolarHBondContact O-CG 3.33Å; L130-K134 PolarHBondContact O-N 3.44Å; G131-K134 PolarHBondContact O-N 3.29Å; V132-K134 PolarHBondContact O-N 3.22Å; K134-V136 VanDerWaalsContact C-N 3.31Å; K134-V136 PolarHBondContact O-N 2.99Å; K134-L137 PolarHBondContact O-N 2.98Å; K134-L137 VanDerWaalsContact O-N 3.11Å; K134-E138 WeakPolarHBondContact O-CB 3.32Å; K134-E138 VanDerWaalsContact O-CG 3.31Å; K134-E138 WeakPolarHBondContact O-CG 3.24Å; K134-E138 PolarHBondContact O-N 2.86Å; K134-D146 WeakPolarHBondContact CD-OD1 3.06Å; K134-D146 IonicContact NZ-OD1 2.86Å; K134-D146 PolarHBondContact NZ-OD1 3.1Å; K134-D146 IonicContact NZ-OD2 3.16Å; K134-I153 HydrophobicContact CG-CD1 4.01Å
135	C	96.4	Very high	96.2	Very high	47 Å²	47	44.3 Å²	44.3	32%	0.318	23%	0.234	S	C	.	.	H	α-helix	trans	-58.6	-41.9	176.9	-178.9	0	0	0	0	112.3	G131 V132 R139	G131-C135 WeakPolarHBondContact O-CB 3.42Å; G131-C135 PolarHBondContact O-N 3.16Å; V132-C135 PolarHBondContact O-N 3.46Å; C135-R139 VanDerWaalsContact O-CB 3.32Å; C135-R139 WeakPolarHBondContact O-CB 3.4Å; C135-R139 PolarHBondContact O-N 2.96Å
136	V	97.1	Very high	96.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-41.8	175.4	170.2	0	0	0	0	111.7	V132 L133 K134 N140 E196 Y199 L200	V132-V136 PolarHBondContact O-N 3.44Å; V132-V136 VanDerWaalsContact O-N 3.08Å; L133-V136 PolarHBondContact O-N 3.42Å; K134-V136 VanDerWaalsContact C-N 3.31Å; K134-V136 PolarHBondContact O-N 2.99Å; V136-N140 PolarHBondContact O-N 3.05Å; V136-N140 PolarHBondContact O-ND2 2.94Å; V136-E196 HydrophobicContact CG1-CB 3.92Å; V136-E196 HydrophobicContact CG1-CG 3.85Å; V136-Y199 HydrophobicContact CG2-CD1 3.86Å; V136-Y199 HydrophobicContact CG2-CE1 3.89Å; V136-L200 HydrophobicContact CB-CD2 4.28Å; V136-L200 HydrophobicContact CG2-CD2 3.57Å; V136-L200 HydrophobicContact CG2-CG 4.11Å
137	L	97.6	Very high	96.1	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-65.8	-45.8	177.5	-69.9	171.5	0	0	0	112	Y104 L107 L108 L111 L133 K134 R139 N140 F141 I153	Y104-L137 HydrophobicContact CD2-CD2 4.28Å; Y104-L137 HydrophobicContact CE2-CB 4.36Å; Y104-L137 HydrophobicContact CE2-CD1 4.37Å; Y104-L137 HydrophobicContact CE2-CD2 3.8Å; Y104-L137 HydrophobicContact CE2-CG 4.4Å; L107-L137 HydrophobicContact CD2-CD2 4.09Å; L108-L137 HydrophobicContact CD1-CD1 3.81Å; L111-L137 HydrophobicContact CD1-CD2 3.89Å; L111-L137 HydrophobicContact CD1-CG 4.23Å; L133-L137 WeakPolarHBondContact O-CG 3.28Å; L133-L137 PolarHBondContact O-N 3.42Å; K134-L137 PolarHBondContact O-N 2.98Å; K134-L137 VanDerWaalsContact O-N 3.11Å; L137-R139 PolarHBondContact O-N 3.16Å; L137-N140 PolarHBondContact O-N 3.36Å; L137-F141 WeakPolarHBondContact O-CB 3.47Å; L137-F141 WeakPolarHBondContact O-CD2 3.42Å; L137-F141 PolarHBondContact O-N 3.12Å; L137-I153 HydrophobicContact CD1-CD1 4.37Å
138	E	97	Very high	96.2	Very high	70 Å²	70	43.4 Å²	43.4	33%	0.327	24%	0.235	S	C	.	.	H	α-helix	trans	-61.2	-43.6	178.2	-72.9	167.4	-175.8	0	0	111.6	K134 N140 F141 P142 H149	K134-E138 WeakPolarHBondContact O-CB 3.32Å; K134-E138 VanDerWaalsContact O-CG 3.31Å; K134-E138 WeakPolarHBondContact O-CG 3.24Å; K134-E138 PolarHBondContact O-N 2.86Å; E138-N140 VanDerWaalsContact C-N 3.33Å; E138-N140 PolarHBondContact O-N 2.66Å; E138-F141 CarbonylContact O-C 3.41Å; E138-F141 PolarHBondContact O-N 3.21Å; E138-P142 WeakPolarHBondContact O-CA 3.43Å; E138-H149 WeakPolarHBondContact CG-CD2 3.08Å
139	R	95.9	Very high	96.3	Very high	118 Å²	118	39.8 Å²	39.8	45%	0.445	22%	0.221	S	C	.	.	H	α-helix	trans	-62.8	-38.1	178.1	176.1	166.2	64.1	-140.9	1	112.6	C135 L137 E196	C135-R139 VanDerWaalsContact O-CB 3.32Å; C135-R139 WeakPolarHBondContact O-CB 3.4Å; C135-R139 PolarHBondContact O-N 2.96Å; L137-R139 PolarHBondContact O-N 3.16Å; R139-E196 IonicContact CZ-OE1 3Å; R139-E196 IonicContact CZ-OE2 3.81Å; R139-E196 IonicContact NE-OE1 3.13Å; R139-E196 PolarHBondContact NE-OE1 3.21Å; R139-E196 IonicContact NE-OE2 3.34Å; R139-E196 VanDerWaalsContact NH2-CD 3.34Å; R139-E196 IonicContact NH2-OE1 3.04Å; R139-E196 PolarHBondContact NH2-OE1 2.9Å; R139-E196 IonicContact NH2-OE2 3.58Å; R139-E196 PolarHBondContact NH2-OE2 3.09Å
140	N	96.7	Very high	96.3	Very high	20 Å²	20	44.8 Å²	44.8	11%	0.107	24%	0.239	C	C	.	.	H	α-helix	trans	-90.8	-16.6	-177.5	-72.7	-81.4	0	0	0	113.3	R100 V136 L137 E138 I192 E196	R100-N140 PolarHBondContact NH2-O 3.39Å; V136-N140 PolarHBondContact O-N 3.05Å; V136-N140 PolarHBondContact O-ND2 2.94Å; L137-N140 PolarHBondContact O-N 3.36Å; E138-N140 VanDerWaalsContact C-N 3.33Å; E138-N140 PolarHBondContact O-N 2.66Å; N140-I192 HydrophobicContact CB-CG2 3.97Å; N140-I192 VanDerWaalsContact CG-CG2 3.48Å; N140-I192 WeakPolarHBondContact OD1-CG2 3.47Å; N140-E196 PolarHBondContact ND2-OE1 2.93Å
141	F	97.5	Very high	96.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.256	C	S	.	.			trans	-137.7	64.3	-179.7	-56.9	-93	0	0	0	111.2	R100 T103 Y104 L107 L137 E138 E143 F144 I192	R100-F141 HydrophobicContact CG-CD1 4.03Å; R100-F141 HydrophobicContact CG-CE1 4.16Å; R100-F141 VanDerWaalsContact NE-CE1 3.3Å; T103-F141 HydrophobicContact CG2-CE1 4.26Å; T103-F141 HydrophobicContact CG2-CZ 4.01Å; Y104-F141 HydrophobicContact CD2-CB 4.25Å; Y104-F141 HydrophobicContact CD2-CD1 4.06Å; Y104-F141 AromaticContact CD2-CD2 3.76Å; Y104-F141 HydrophobicContact CD2-CD2 3.76Å; Y104-F141 HydrophobicContact CD2-CE1 4.36Å; Y104-F141 HydrophobicContact CD2-CE2 4.11Å; Y104-F141 AromaticContact CD2-CG 3.75Å; Y104-F141 HydrophobicContact CD2-CG 3.75Å; Y104-F141 HydrophobicContact CD2-CZ 4.39Å; Y104-F141 HydrophobicContact CE2-CD2 4.46Å; L107-F141 HydrophobicContact CD2-CE2 3.63Å; L107-F141 HydrophobicContact CD2-CZ 4.3Å; L137-F141 WeakPolarHBondContact O-CB 3.47Å; L137-F141 WeakPolarHBondContact O-CD2 3.42Å; L137-F141 PolarHBondContact O-N 3.12Å; E138-F141 CarbonylContact O-C 3.41Å; E138-F141 PolarHBondContact O-N 3.21Å; F141-E143 WeakPolarHBondContact CA-OE2 3.41Å; F141-E143 PolarHBondContact O-N 3.39Å; F141-E143 VanDerWaalsContact O-N 3.1Å; F141-F144 HydrophobicContact CB-CD2 3.52Å; F141-F144 HydrophobicContact CB-CE2 3.95Å; F141-F144 HydrophobicContact CD1-CD2 4.28Å; F141-F144 AromaticContact CD1-CE2 3.83Å; F141-F144 HydrophobicContact CD1-CE2 3.83Å; F141-F144 HydrophobicContact CG-CD2 4.16Å; F141-F144 HydrophobicContact CG-CE2 4.17Å; F141-F144 PolarHBondContact O-N 3.48Å; F141-F144 VanDerWaalsContact O-N 3.08Å; F141-I192 HydrophobicContact CE2-CD1 4.31Å; F141-I192 HydrophobicContact CZ-CD1 3.97Å
142	P	95.9	Very high	96.3	Very high	97 Å²	97	48.7 Å²	48.7	63%	0.63	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.6	-176.9	27.6	-37.3	0	0	0	113.7	E138 F144	E138-P142 WeakPolarHBondContact O-CA 3.43Å; P142-F144 PolarHBondContact O-N 3.08Å
143	E	95.2	Very high	96.4	Very high	89 Å²	89	47.7 Å²	47.7	42%	0.416	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-14.1	174.9	65.9	-85.8	-168.2	0	0	114.2	R100 F141	R100-E143 WeakPolarHBondContact CG-OE1 3.16Å; R100-E143 VanDerWaalsContact CZ-CD 3.48Å; R100-E143 IonicContact CZ-OE1 3.84Å; R100-E143 IonicContact CZ-OE2 3.3Å; R100-E143 IonicContact NE-OE1 4Å; R100-E143 PolarHBondContact NE-OE1 3.5Å; R100-E143 VanDerWaalsContact NE-OE1 3.16Å; R100-E143 IonicContact NH1-OE1 2.65Å; R100-E143 PolarHBondContact NH1-OE1 3.13Å; R100-E143 VanDerWaalsContact NH1-OE1 3.13Å; R100-E143 IonicContact NH1-OE2 3.36Å; R100-E143 PolarHBondContact NH1-OE2 2.93Å; R100-E143 IonicContact NH2-OE1 3.6Å; R100-E143 PolarHBondContact NH2-OE1 3.42Å; R100-E143 IonicContact NH2-OE2 2.84Å; R100-E143 PolarHBondContact NH2-OE2 3.12Å; F141-E143 WeakPolarHBondContact CA-OE2 3.41Å; F141-E143 PolarHBondContact O-N 3.39Å; F141-E143 VanDerWaalsContact O-N 3.1Å
144	F	95.6	Very high	96.4	Very high	38 Å²	38	49.3 Å²	49.3	17%	0.167	25%	0.251	C	S	.	.	S	Bend	trans	-101.6	146.7	177	-59.3	-44.6	0	0	0	111.3	E101 Y104 F141 P142 F148	E101-F144 HydrophobicContact CG-CE1 4.18Å; E101-F144 HydrophobicContact CG-CZ 3.77Å; Y104-F144 AromaticContact CD2-CD2 3.8Å; Y104-F144 HydrophobicContact CD2-CD2 3.8Å; Y104-F144 AromaticContact CD2-CE2 3.84Å; Y104-F144 HydrophobicContact CD2-CE2 3.84Å; Y104-F144 HydrophobicContact CE2-CD2 4.14Å; Y104-F144 HydrophobicContact CG-CD2 4.23Å; Y104-F144 AromaticContact CG-CE2 3.86Å; Y104-F144 HydrophobicContact CG-CE2 3.86Å; F141-F144 HydrophobicContact CB-CD2 3.52Å; F141-F144 HydrophobicContact CB-CE2 3.95Å; F141-F144 HydrophobicContact CD1-CD2 4.28Å; F141-F144 AromaticContact CD1-CE2 3.83Å; F141-F144 HydrophobicContact CD1-CE2 3.83Å; F141-F144 HydrophobicContact CG-CD2 4.16Å; F141-F144 HydrophobicContact CG-CE2 4.17Å; F141-F144 PolarHBondContact O-N 3.48Å; F141-F144 VanDerWaalsContact O-N 3.08Å; P142-F144 PolarHBondContact O-N 3.08Å; F144-F148 HydrophobicContact CB-CB 4.42Å; F144-F148 HydrophobicContact CB-CD1 3.57Å; F144-F148 HydrophobicContact CB-CE1 4.04Å; F144-F148 HydrophobicContact CB-CG 4.17Å; F144-F148 HydrophobicContact CD1-CD1 4.1Å; F144-F148 AromaticContact CD1-CE1 3.85Å; F144-F148 HydrophobicContact CD1-CE1 3.85Å; F144-F148 HydrophobicContact CD1-CZ 4.08Å; F144-F148 HydrophobicContact CD2-CD1 4.17Å; F144-F148 AromaticContact CD2-CE1 3.76Å; F144-F148 HydrophobicContact CD2-CE1 3.76Å; F144-F148 HydrophobicContact CE1-CE1 4.27Å; F144-F148 HydrophobicContact CE1-CZ 4.21Å; F144-F148 HydrophobicContact CE2-CE1 4.21Å; F144-F148 AromaticContact CG-CD1 3.69Å; F144-F148 HydrophobicContact CG-CD1 3.69Å; F144-F148 AromaticContact CG-CE1 3.59Å; F144-F148 HydrophobicContact CG-CE1 3.59Å; F144-F148 HydrophobicContact CG-CG 4.44Å; F144-F148 HydrophobicContact CG-CZ 4.3Å; F144-F148 HydrophobicContact CZ-CE1 4.46Å
145	S	94.7	Very high	96.4	Very high	73 Å²	73	48.6 Å²	48.6	51%	0.51	25%	0.252	S	S	.	.			trans	-82.1	158.5	179.4	65.6	0	0	0	0	112.7	S147 F148 H149	S145-S147 PolarHBondContact O-N 3.26Å; S145-F148 WeakPolarHBondContact O-CA 3.3Å; S145-F148 VanDerWaalsContact O-CB 3.29Å; S145-F148 WeakPolarHBondContact O-CB 3.49Å; S145-F148 PolarHBondContact O-N 3.41Å; S145-F148 PolarHBondContact OG-N 3.48Å; S145-H149 PolarHBondContact O-CD2 3.5Å; S145-H149 VanDerWaalsContact O-CD2 3.29Å; S145-H149 PolarHBondContact O-N 3.39Å; S145-H149 VanDerWaalsContact O-N 3.11Å
146	D	94.2	Very high	96.4	Very high	74 Å²	74	46.4 Å²	46.4	40%	0.396	24%	0.237	S	C	.	.	H	α-helix	trans	-55.2	-39.5	173.7	175.7	58.8	0	0	0	112	K134 F148 H149 R150	K134-D146 WeakPolarHBondContact CD-OD1 3.06Å; K134-D146 IonicContact NZ-OD1 2.86Å; K134-D146 PolarHBondContact NZ-OD1 3.1Å; K134-D146 IonicContact NZ-OD2 3.16Å; D146-F148 VanDerWaalsContact C-N 3.31Å; D146-F148 PolarHBondContact O-N 2.91Å; D146-H149 PolarHBondContact O-N 2.97Å; D146-R150 PolarHBondContact O-N 3.27Å
147	S	95.9	Very high	96.3	Very high	53 Å²	53	46.3 Å²	46.3	37%	0.371	24%	0.237	S	C	.	.	H	α-helix	trans	-60.9	-42.1	175.7	-161.1	0	0	0	0	111.4	S145 H149 R150 E151	S145-S147 PolarHBondContact O-N 3.26Å; S147-H149 PolarHBondContact O-N 3.45Å; S147-R150 PolarHBondContact O-N 2.96Å; S147-E151 WeakPolarHBondContact O-CB 3.32Å; S147-E151 VanDerWaalsContact O-CG 3.25Å; S147-E151 WeakPolarHBondContact O-CG 3.49Å; S147-E151 PolarHBondContact O-N 2.94Å; S147-E151 PolarHBondContact OG-OE1 3.41Å
148	F	96.6	Very high	96.2	Very high	40 Å²	40	50.8 Å²	50.8	18%	0.175	26%	0.256	C	S	.	.	H	α-helix	trans	-60.3	-45.2	177.3	177.6	-89.8	0	0	0	111.5	Y104 F144 S145 D146 R150 E151 R152	Y104-F148 HydrophobicContact CD1-CE1 4.1Å; Y104-F148 HydrophobicContact CE1-CD1 4.48Å; Y104-F148 AromaticContact CE1-CE1 3.66Å; Y104-F148 HydrophobicContact CE1-CE1 3.66Å; Y104-F148 HydrophobicContact CE1-CZ 4.38Å; Y104-F148 HydrophobicContact CE2-CE1 4.32Å; Y104-F148 AromaticContact CZ-CE1 3.78Å; F144-F148 HydrophobicContact CB-CB 4.42Å; F144-F148 HydrophobicContact CB-CD1 3.57Å; F144-F148 HydrophobicContact CB-CE1 4.04Å; F144-F148 HydrophobicContact CB-CG 4.17Å; F144-F148 HydrophobicContact CD1-CD1 4.1Å; F144-F148 AromaticContact CD1-CE1 3.85Å; F144-F148 HydrophobicContact CD1-CE1 3.85Å; F144-F148 HydrophobicContact CD1-CZ 4.08Å; F144-F148 HydrophobicContact CD2-CD1 4.17Å; F144-F148 AromaticContact CD2-CE1 3.76Å; F144-F148 HydrophobicContact CD2-CE1 3.76Å; F144-F148 HydrophobicContact CE1-CE1 4.27Å; F144-F148 HydrophobicContact CE1-CZ 4.21Å; F144-F148 HydrophobicContact CE2-CE1 4.21Å; F144-F148 AromaticContact CG-CD1 3.69Å; F144-F148 HydrophobicContact CG-CD1 3.69Å; F144-F148 AromaticContact CG-CE1 3.59Å; F144-F148 HydrophobicContact CG-CE1 3.59Å; F144-F148 HydrophobicContact CG-CG 4.44Å; F144-F148 HydrophobicContact CG-CZ 4.3Å; F144-F148 HydrophobicContact CZ-CE1 4.46Å; S145-F148 WeakPolarHBondContact O-CA 3.3Å; S145-F148 VanDerWaalsContact O-CB 3.29Å; S145-F148 WeakPolarHBondContact O-CB 3.49Å; S145-F148 PolarHBondContact O-N 3.41Å; S145-F148 PolarHBondContact OG-N 3.48Å; D146-F148 VanDerWaalsContact C-N 3.31Å; D146-F148 PolarHBondContact O-N 2.91Å; F148-R150 PolarHBondContact O-N 3.42Å; F148-E151 PolarHBondContact O-N 3.23Å; F148-R152 HydrophobicContact CD1-CG 4Å; F148-R152 HydrophobicContact CD2-CG 4.41Å; F148-R152 HydrophobicContact CE1-CG 3.72Å; F148-R152 HydrophobicContact CE2-CG 4.15Å; F148-R152 HydrophobicContact CG-CG 4.36Å; F148-R152 HydrophobicContact CZ-CG 3.8Å; F148-R152 VanDerWaalsContact O-CB 3.3Å; F148-R152 WeakPolarHBondContact O-CB 3.4Å; F148-R152 VanDerWaalsContact O-CG 3.24Å; F148-R152 WeakPolarHBondContact O-CG 3.28Å; F148-R152 PolarHBondContact O-N 2.76Å
149	H	97	Very high	95.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.9	-48.8	177.5	-63	-50.3	0	0	0	111.8	Y104 E138 S145 D146 S147 E151 R152 I153	Y104-H149 AromaticContact CE2-CE1 3.66Å; Y104-H149 AromaticContact CE2-ND1 3.33Å; Y104-H149 VanDerWaalsContact CE2-ND1 3.33Å; Y104-H149 WeakPolarHBondContact CE2-ND1 3.36Å; Y104-H149 AromaticContact CZ-ND1 3.61Å; Y104-H149 WeakPolarHBondContact OH-CA 3.39Å; Y104-H149 PolarHBondContact OH-ND1 3Å; Y104-H149 VanDerWaalsContact OH-ND1 3.12Å; E138-H149 WeakPolarHBondContact CG-CD2 3.08Å; S145-H149 PolarHBondContact O-CD2 3.5Å; S145-H149 VanDerWaalsContact O-CD2 3.29Å; S145-H149 PolarHBondContact O-N 3.39Å; S145-H149 VanDerWaalsContact O-N 3.11Å; D146-H149 PolarHBondContact O-N 2.97Å; S147-H149 PolarHBondContact O-N 3.45Å; H149-E151 PolarHBondContact O-N 3.43Å; H149-R152 PolarHBondContact O-N 2.5Å; H149-I153 VanDerWaalsContact O-CG1 3.26Å; H149-I153 WeakPolarHBondContact O-CG1 3.41Å; H149-I153 PolarHBondContact O-N 3.28Å
150	R	97.2	Very high	95.8	Very high	114 Å²	114	42.2 Å²	42.2	43%	0.43	22%	0.223	S	C	.	.	H	α-helix	trans	-58.8	-48.3	176.8	174.9	179.2	166.4	-80.8	1.1	111.9	Y122 D146 S147 F148 R152 I153 C154	Y122-R150 HydrophobicContact CE1-CG 4.2Å; Y122-R150 HydrophobicContact CE2-CG 4.25Å; D146-R150 PolarHBondContact O-N 3.27Å; S147-R150 PolarHBondContact O-N 2.96Å; F148-R150 PolarHBondContact O-N 3.42Å; R150-R152 VanDerWaalsContact C-N 3.34Å; R150-R152 PolarHBondContact O-N 3.33Å; R150-I153 PolarHBondContact O-N 3.26Å; R150-C154 WeakPolarHBondContact O-CB 3.3Å; R150-C154 PolarHBondContact O-N 2.93Å; R150-C154 PolarHBondContact O-SG 3.48Å
151	E	96.8	Very high	95.6	Very high	78 Å²	78	44.4 Å²	44.4	36%	0.364	23%	0.229	S	C	.	.	H	α-helix	trans	-62	-42.1	-179.9	-76.7	168.5	-149.3	0	0	111.5	S147 F148 H149 C154 A155	S147-E151 WeakPolarHBondContact O-CB 3.32Å; S147-E151 VanDerWaalsContact O-CG 3.25Å; S147-E151 WeakPolarHBondContact O-CG 3.49Å; S147-E151 PolarHBondContact O-N 2.94Å; S147-E151 PolarHBondContact OG-OE1 3.41Å; F148-E151 PolarHBondContact O-N 3.23Å; H149-E151 PolarHBondContact O-N 3.43Å; E151-C154 WeakPolarHBondContact O-CB 3.29Å; E151-C154 PolarHBondContact O-N 2.95Å; E151-A155 VanDerWaalsContact O-CB 3.31Å; E151-A155 WeakPolarHBondContact O-CB 3.5Å; E151-A155 PolarHBondContact O-N 3.39Å
152	R	96.2	Very high	95.3	Very high	45 Å²	45	51.5 Å²	51.5	17%	0.17	26%	0.256	C	S	.	.	H	α-helix	trans	-65	-43.4	177.6	-76.4	-72.1	-173.8	175.1	-1.3	112.6	Y104 L108 F148 H149 R150 A155 Y156	Y104-R152 HydrophobicContact CE1-CB 3.95Å; Y104-R152 HydrophobicContact CE1-CG 3.84Å; L108-R152 HydrophobicContact CD2-CB 3.82Å; F148-R152 HydrophobicContact CD1-CG 4Å; F148-R152 HydrophobicContact CD2-CG 4.41Å; F148-R152 HydrophobicContact CE1-CG 3.72Å; F148-R152 HydrophobicContact CE2-CG 4.15Å; F148-R152 HydrophobicContact CG-CG 4.36Å; F148-R152 HydrophobicContact CZ-CG 3.8Å; F148-R152 VanDerWaalsContact O-CB 3.3Å; F148-R152 WeakPolarHBondContact O-CB 3.4Å; F148-R152 VanDerWaalsContact O-CG 3.24Å; F148-R152 WeakPolarHBondContact O-CG 3.28Å; F148-R152 PolarHBondContact O-N 2.76Å; H149-R152 PolarHBondContact O-N 2.5Å; R150-R152 VanDerWaalsContact C-N 3.34Å; R150-R152 PolarHBondContact O-N 3.33Å; R152-A155 PolarHBondContact O-N 3.04Å; R152-Y156 PolarHBondContact O-N 3.38Å
153	I	97.5	Very high	94.9	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-60.7	-47.3	173	-63.3	162.9	0	0	0	109.9	L108 V112 L116 Y122 L130 K134 L137 H149 R150 A155 Y156 L157	L108-I153 HydrophobicContact CD1-CG1 3.62Å; V112-I153 HydrophobicContact CG2-CG2 4.43Å; L116-I153 HydrophobicContact CD1-CG2 3.96Å; Y122-I153 HydrophobicContact CD2-CB 4.23Å; Y122-I153 HydrophobicContact CD2-CG2 3.72Å; Y122-I153 HydrophobicContact CE2-CB 4.12Å; Y122-I153 HydrophobicContact CE2-CD1 4.4Å; Y122-I153 HydrophobicContact CE2-CG2 3.87Å; L130-I153 HydrophobicContact CD2-CG2 4.36Å; K134-I153 HydrophobicContact CG-CD1 4.01Å; L137-I153 HydrophobicContact CD1-CD1 4.37Å; H149-I153 VanDerWaalsContact O-CG1 3.26Å; H149-I153 WeakPolarHBondContact O-CG1 3.41Å; H149-I153 PolarHBondContact O-N 3.28Å; R150-I153 PolarHBondContact O-N 3.26Å; I153-A155 VanDerWaalsContact C-N 3.34Å; I153-A155 PolarHBondContact O-N 3.3Å; I153-Y156 PolarHBondContact O-N 3.48Å; I153-L157 HydrophobicContact CG2-CD1 3.98Å; I153-L157 HydrophobicContact CG2-CG 4.41Å; I153-L157 WeakPolarHBondContact O-CG 3.45Å; I153-L157 PolarHBondContact O-N 3.44Å
154	C	97.3	Very high	94.3	Very high	38 Å²	38	45.3 Å²	45.3	26%	0.257	22%	0.223	S	C	.	.	H	α-helix	trans	-57.7	-45.9	177.7	-71.2	0	0	0	0	112.2	Y122 R150 E151 K158	Y122-C154 VanDerWaalsContact CB-SG 3.51Å; Y122-C154 VanDerWaalsContact CD2-SG 3.53Å; R150-C154 WeakPolarHBondContact O-CB 3.3Å; R150-C154 PolarHBondContact O-N 2.93Å; R150-C154 PolarHBondContact O-SG 3.48Å; E151-C154 WeakPolarHBondContact O-CB 3.29Å; E151-C154 PolarHBondContact O-N 2.95Å; C154-K158 VanDerWaalsContact O-CB 3.27Å; C154-K158 WeakPolarHBondContact O-CB 3.03Å; C154-K158 PolarHBondContact O-N 3.38Å
155	A	95.8	Very high	93.6	Very high	24 Å²	24	52.6 Å²	52.6	20%	0.198	25%	0.254	C	S	.	.	H	α-helix	trans	-63.6	-44.9	179.4	0	0	0	0	0	111.6	V60 E151 R152 I153 K158 A159	V60-A155 HydrophobicContact CG1-CB 4.46Å; E151-A155 VanDerWaalsContact O-CB 3.31Å; E151-A155 WeakPolarHBondContact O-CB 3.5Å; E151-A155 PolarHBondContact O-N 3.39Å; R152-A155 PolarHBondContact O-N 3.04Å; I153-A155 VanDerWaalsContact C-N 3.34Å; I153-A155 PolarHBondContact O-N 3.3Å; A155-K158 WeakPolarHBondContact O-CB 3.48Å; A155-K158 PolarHBondContact O-N 2.92Å; A155-A159 PolarHBondContact O-N 3.46Å
156	Y	96.2	Very high	92.8	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.3	-48.2	177.6	-173.4	-116.5	0	0	0	111.7	F63 R109 V112 D113 R152 I153 K158 A159 C160 V173	F63-Y156 AromaticContact CE1-CD2 3.96Å; F63-Y156 HydrophobicContact CE1-CD2 3.96Å; F63-Y156 HydrophobicContact CE1-CE2 4.4Å; F63-Y156 HydrophobicContact CE2-CD2 4.13Å; F63-Y156 AromaticContact CZ-CD2 3.46Å; F63-Y156 HydrophobicContact CZ-CD2 3.46Å; F63-Y156 VanDerWaalsContact CZ-CD2 3.46Å; F63-Y156 HydrophobicContact CZ-CE2 4.32Å; F63-Y156 HydrophobicContact CZ-CG 4.32Å; R109-Y156 HydrophobicContact CB-CE1 4.44Å; R109-Y156 HydrophobicContact CB-CE2 4.28Å; R109-Y156 HydrophobicContact CG-CD2 4.01Å; R109-Y156 HydrophobicContact CG-CE1 4.35Å; R109-Y156 HydrophobicContact CG-CE2 3.51Å; R109-Y156 PolarHBondContact NH2-OH 2.88Å; V112-Y156 HydrophobicContact CB-CD1 3.54Å; V112-Y156 HydrophobicContact CB-CE1 3.65Å; V112-Y156 HydrophobicContact CG1-CD1 3.43Å; V112-Y156 VanDerWaalsContact CG1-CD1 3.43Å; V112-Y156 HydrophobicContact CG1-CE1 3.62Å; V112-Y156 HydrophobicContact CG2-CD1 3.84Å; V112-Y156 HydrophobicContact CG2-CE1 4.41Å; D113-Y156 PolarHBondContact OD1-OH 3.49Å; D113-Y156 PolarHBondContact OD2-OH 3.21Å; D113-Y156 VanDerWaalsContact OD2-OH 3.12Å; R152-Y156 PolarHBondContact O-N 3.38Å; I153-Y156 PolarHBondContact O-N 3.48Å; Y156-K158 VanDerWaalsContact C-N 3.28Å; Y156-K158 PolarHBondContact O-N 2.93Å; Y156-A159 WeakPolarHBondContact O-CB 3.44Å; Y156-A159 PolarHBondContact O-N 3.25Å; Y156-A159 VanDerWaalsContact O-N 3.09Å; Y156-C160 PolarHBondContact O-N 3.43Å; Y156-C160 PolarHBondContact O-SG 3.36Å; Y156-V173 HydrophobicContact CD2-CB 4.47Å; Y156-V173 HydrophobicContact CD2-CG2 4.2Å; Y156-V173 HydrophobicContact CE2-CB 3.75Å; Y156-V173 HydrophobicContact CE2-CG1 4.14Å; Y156-V173 HydrophobicContact CE2-CG2 3.76Å
157	L	96.1	Very high	91.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.1	-39.9	174.9	-70.4	173.5	0	0	0	111.8	V112 Q125 I153 C160 R161	V112-L157 HydrophobicContact CG1-CD2 3.69Å; V112-L157 HydrophobicContact CG1-CG 4.32Å; Q125-L157 HydrophobicContact CG-CD1 4.26Å; I153-L157 HydrophobicContact CG2-CD1 3.98Å; I153-L157 HydrophobicContact CG2-CG 4.41Å; I153-L157 WeakPolarHBondContact O-CG 3.45Å; I153-L157 PolarHBondContact O-N 3.44Å; L157-C160 WeakPolarHBondContact O-CB 3.3Å; L157-C160 PolarHBondContact O-N 3.21Å; L157-R161 WeakPolarHBondContact O-CG 3.46Å; L157-R161 PolarHBondContact O-N 2.95Å; L157-R161 PolarHBondContact O-NH1 3.03Å
158	K	94.6	Very high	90.5	Very high	94 Å²	94	64.7 Å²	64.7	41%	0.409	29%	0.291	S	S	.	.	H	α-helix	trans	-62.2	-42.8	175.5	-172.5	-179.4	-175.7	-176.3	0	111.2	C154 A155 Y156 R161 R162	C154-K158 VanDerWaalsContact O-CB 3.27Å; C154-K158 WeakPolarHBondContact O-CB 3.03Å; C154-K158 PolarHBondContact O-N 3.38Å; A155-K158 WeakPolarHBondContact O-CB 3.48Å; A155-K158 PolarHBondContact O-N 2.92Å; Y156-K158 VanDerWaalsContact C-N 3.28Å; Y156-K158 PolarHBondContact O-N 2.93Å; K158-R161 PolarHBondContact O-N 3.35Å; K158-R162 VanDerWaalsContact CE-NH2 3.32Å; K158-R162 WeakPolarHBondContact O-CB 3.5Å; K158-R162 VanDerWaalsContact O-CG 3.32Å; K158-R162 WeakPolarHBondContact O-CG 3.21Å; K158-R162 PolarHBondContact O-N 2.94Å
159	A	91.6	Very high	89.1	Confident	9 Å²	9	64.8 Å²	64.8	7%	0.074	30%	0.303	C	S	.	.	H	α-helix	trans	-64.3	-44.2	175.9	0	0	0	0	0	111.8	F63 A155 Y156 R161 R162 N163 V173	F63-A159 HydrophobicContact CB-CB 4.44Å; F63-A159 HydrophobicContact CD2-CB 3.46Å; F63-A159 VanDerWaalsContact CD2-CB 3.46Å; F63-A159 HydrophobicContact CE2-CB 3.91Å; F63-A159 HydrophobicContact CG-CB 3.97Å; A155-A159 PolarHBondContact O-N 3.46Å; Y156-A159 WeakPolarHBondContact O-CB 3.44Å; Y156-A159 PolarHBondContact O-N 3.25Å; Y156-A159 VanDerWaalsContact O-N 3.09Å; A159-R161 PolarHBondContact O-N 3.02Å; A159-R162 PolarHBondContact O-N 3.33Å; A159-N163 PolarHBondContact O-N 3.46Å; A159-N163 PolarHBondContact O-ND2 2.95Å; A159-V173 HydrophobicContact CB-CG1 4.34Å; A159-V173 HydrophobicContact CB-CG2 3.77Å
160	C	92.8	Very high	87.9	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-53.7	-52.1	174.3	-71	0	0	0	0	111.7	R118 Y156 L157 R162 N163 A164 P171 V173	R118-C160 HydrophobicContact CB-CB 4.02Å; Y156-C160 PolarHBondContact O-N 3.43Å; Y156-C160 PolarHBondContact O-SG 3.36Å; L157-C160 WeakPolarHBondContact O-CB 3.3Å; L157-C160 PolarHBondContact O-N 3.21Å; C160-R162 PolarHBondContact O-N 2.82Å; C160-N163 PolarHBondContact O-N 3.28Å; C160-A164 PolarHBondContact O-N 2.94Å; C160-P171 HydrophobicContact CB-CB 3.92Å; C160-V173 HydrophobicContact CB-CG2 4.35Å; C160-V173 VanDerWaalsContact SG-CG2 3.54Å
161	R	92.9	Very high	86.8	Confident	65 Å²	65	65.2 Å²	65.2	25%	0.245	31%	0.311	C	S	.	.	H	α-helix	trans	-65	-38.1	178.8	-66.4	-169.3	-51.8	-78.4	-5.5	113	R118 K119 I120 L157 K158 A159 N163 K165	R118-R161 VanDerWaalsContact O-CG 3.27Å; R118-R161 WeakPolarHBondContact O-CG 3.06Å; K119-R161 WeakPolarHBondContact O-CD 3.23Å; I120-R161 PolarHBondContact O-NH1 2.94Å; L157-R161 WeakPolarHBondContact O-CG 3.46Å; L157-R161 PolarHBondContact O-N 2.95Å; L157-R161 PolarHBondContact O-NH1 3.03Å; K158-R161 PolarHBondContact O-N 3.35Å; A159-R161 PolarHBondContact O-N 3.02Å; R161-N163 VanDerWaalsContact C-N 3.33Å; R161-K165 WeakPolarHBondContact O-CG 3.49Å; R161-K165 PolarHBondContact O-N 3.46Å
162	R	90.6	Very high	85.8	Confident	150 Å²	150	67 Å²	67	57%	0.566	32%	0.315	S	S	*	.	H	α-helix	trans	-62.7	-40.7	175.9	-79.3	176.7	170.2	-178	-7.1	111.4	K158 A159 C160	K158-R162 VanDerWaalsContact CE-NH2 3.32Å; K158-R162 WeakPolarHBondContact O-CB 3.5Å; K158-R162 VanDerWaalsContact O-CG 3.32Å; K158-R162 WeakPolarHBondContact O-CG 3.21Å; K158-R162 PolarHBondContact O-N 2.94Å; A159-R162 PolarHBondContact O-N 3.33Å; C160-R162 PolarHBondContact O-N 2.82Å
163	N	87.3	Confident	85	Confident	40 Å²	40	65 Å²	65	21%	0.214	31%	0.307	C	S	.	.	H	α-helix	trans	-77.8	-33.8	-178.8	-67.7	-19.3	0	0	0	113.3	A159 C160 R161 K165 R166 K167 Y172	A159-N163 PolarHBondContact O-N 3.46Å; A159-N163 PolarHBondContact O-ND2 2.95Å; C160-N163 PolarHBondContact O-N 3.28Å; R161-N163 VanDerWaalsContact C-N 3.33Å; N163-K165 PolarHBondContact O-N 2.85Å; N163-R166 PolarHBondContact O-N 2.99Å; N163-K167 PolarHBondContact O-N 2.87Å; N163-Y172 WeakPolarHBondContact CB-O 3.43Å; N163-Y172 PolarHBondContact ND2-O 3.29Å
164	A	84.2	Confident	84.1	Confident	16 Å²	16	72.1 Å²	72.1	13%	0.132	33%	0.334	C	S	.	.	H	α-helix	trans	-55.4	-39.6	172.7	0	0	0	0	0	112	C160 R166 G169 E170 P171	C160-A164 PolarHBondContact O-N 2.94Å; A164-R166 PolarHBondContact O-N 3.4Å; A164-G169 VanDerWaalsContact O-CA 3.24Å; A164-G169 WeakPolarHBondContact O-CA 3.42Å; A164-G169 PolarHBondContact O-N 3.03Å; A164-E170 WeakPolarHBondContact CA-O 3.28Å; A164-P171 HydrophobicContact CB-CB 4.1Å
165	K	79.4	Confident	83.3	Confident	190 Å²	190	72.3 Å²	72.3	83%	0.826	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-26.2	175.7	-67.7	-178.4	179.5	-168.1	0	113.7	R161 N163	R161-K165 WeakPolarHBondContact O-CG 3.49Å; R161-K165 PolarHBondContact O-N 3.46Å; N163-K165 PolarHBondContact O-N 2.85Å
166	R	79	Confident	82.5	Confident	173 Å²	173	73 Å²	73	65%	0.653	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-23.7	-176.9	-65.8	178.2	67	163.8	1.2	113.2	N163 A164	N163-R166 PolarHBondContact O-N 2.99Å; A164-R166 PolarHBondContact O-N 3.4Å
167	K	70	Confident	81.5	Confident	111 Å²	111	76.7 Å²	76.7	48%	0.483	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.6	74	-171.1	-68.1	-166.1	172.6	-164.6	0	112.2	N163 G169 E170	N163-K167 PolarHBondContact O-N 2.87Å; K167-G169 PolarHBondContact O-N 3.38Å; K167-E170 PolarHBondContact O-N 3.44Å
168	N	70.8	Confident	80.5	Confident	170 Å²	170	80.7 Å²	80.7	91%	0.909	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	29.6	168.7	-58.8	1.4	0	0	0	115.1	E170	N168-E170 VanDerWaalsContact C-N 3.33Å; N168-E170 PolarHBondContact O-N 3.32Å
169	G	67.2	Low	79.8	Confident	42 Å²	42	76.9 Å²	76.9	43%	0.433	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	-5.3	177.1	0	0	0	0	0	115.5	A164 K167 P171	A164-G169 VanDerWaalsContact O-CA 3.24Å; A164-G169 WeakPolarHBondContact O-CA 3.42Å; A164-G169 PolarHBondContact O-N 3.03Å; K167-G169 PolarHBondContact O-N 3.38Å; G169-P171 WeakPolarHBondContact O-CD 3.35Å
170	E	72.7	Confident	79	Confident	119 Å²	119	82.9 Å²	82.9	56%	0.556	39%	0.394	S	S	*	.			trans	-88.3	116.2	-178.1	-78.2	-57.8	139.1	0	0	111.7	A164 K167 N168 Y172	A164-E170 WeakPolarHBondContact CA-O 3.28Å; K167-E170 PolarHBondContact O-N 3.44Å; N168-E170 VanDerWaalsContact C-N 3.33Å; N168-E170 PolarHBondContact O-N 3.32Å; E170-Y172 VanDerWaalsContact C-N 3.33Å; E170-Y172 PolarHBondContact O-N 2.75Å
171	P	73	Confident	78.2	Confident	4 Å²	4	87.8 Å²	87.8	3%	0.026	43%	0.429	C	S	.	.			trans	-71.6	88.9	177.9	26.9	-30	0	0	0	110	R118 C160 A164 G169	R118-P171 HydrophobicContact CB-CB 3.86Å; R118-P171 HydrophobicContact CB-CG 3.85Å; R118-P171 PolarHBondContact NH1-O 2.85Å; R118-P171 VanDerWaalsContact NH1-O 3.16Å; R118-P171 PolarHBondContact NH2-O 3.3Å; C160-P171 HydrophobicContact CB-CB 3.92Å; A164-P171 HydrophobicContact CB-CB 4.1Å; G169-P171 WeakPolarHBondContact O-CD 3.35Å
172	Y	76.5	Confident	77.7	Confident	115 Å²	115	85.4 Å²	85.4	45%	0.451	42%	0.422	S	S	.	.			trans	-117.7	127.7	174.5	178	-98.8	0	0	0	110.7	N163 E170 R174	N163-Y172 WeakPolarHBondContact CB-O 3.43Å; N163-Y172 PolarHBondContact ND2-O 3.29Å; E170-Y172 VanDerWaalsContact C-N 3.33Å; E170-Y172 PolarHBondContact O-N 2.75Å; Y172-R174 HydrophobicContact CE1-CB 3.97Å
173	V	79.2	Confident	77.6	Confident	3 Å²	3	80.8 Å²	80.8	2%	0.018	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-102.6	124.1	170.1	-177.3	0	0	0	0	107.6	F63 R109 Y156 A159 C160	F63-V173 HydrophobicContact CB-CG1 4.41Å; F63-V173 HydrophobicContact CD1-CG1 3.27Å; F63-V173 HydrophobicContact CE1-CG1 3.62Å; F63-V173 HydrophobicContact CG-CG1 3.83Å; F63-V173 HydrophobicContact CZ-CG1 4.43Å; R109-V173 VanDerWaalsContact NH1-CG1 3.35Å; R109-V173 PolarHBondContact NH2-O 2.97Å; Y156-V173 HydrophobicContact CD2-CB 4.47Å; Y156-V173 HydrophobicContact CD2-CG2 4.2Å; Y156-V173 HydrophobicContact CE2-CB 3.75Å; Y156-V173 HydrophobicContact CE2-CG1 4.14Å; Y156-V173 HydrophobicContact CE2-CG2 3.76Å; A159-V173 HydrophobicContact CB-CG1 4.34Å; A159-V173 HydrophobicContact CB-CG2 3.77Å; C160-V173 HydrophobicContact CB-CG2 4.35Å; C160-V173 VanDerWaalsContact SG-CG2 3.54Å
174	R	80	Confident	77.9	Confident	152 Å²	152	86.5 Å²	86.5	57%	0.574	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-67.3	141	176.5	-174.6	179.3	-78.1	-81.8	7.1	109.5	R109 Y172	R109-R174 PolarHBondContact NH1-O 2.87Å; Y172-R174 HydrophobicContact CE1-CB 3.97Å
175	M	80.1	Confident	78.3	Confident	41 Å²	41	85.7 Å²	85.7	20%	0.202	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-77.3	129.7	170.5	-157.5	68.3	75.8	0	0	109.5	L106 Y179 L180	L106-M175 HydrophobicContact CD2-CE 3.62Å; L106-M175 HydrophobicContact CD2-SD 3.94Å; M175-Y179 HydrophobicContact CG-CD2 3.87Å; M175-Y179 HydrophobicContact CG-CG 4.04Å; M175-Y179 HydrophobicContact SD-CD2 3.73Å; M175-Y179 HydrophobicContact SD-CE2 4.47Å; M175-Y179 HydrophobicContact SD-CG 3.82Å; M175-L180 HydrophobicContact CB-CD2 4.27Å; M175-L180 HydrophobicContact CG-CD2 4.2Å; M175-L180 HydrophobicContact CG-CG 4.43Å
176	S	79	Confident	79	Confident	40 Å²	40	79.7 Å²	79.7	28%	0.28	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-63.5	145.2	171.1	178	0	0	0	0	110.1	R178 Y179	S176-R178 PolarHBondContact O-N 3.41Å; S176-Y179 PolarHBondContact O-N 3.2Å
177	A	74.3	Confident	79.7	Confident	77 Å²	77	75 Å²	75	64%	0.636	41%	0.413	S	S	*	.	H	α-helix	trans	-52.3	-31.9	178.9	0	0	0	0	0	112.5	Y179 L180 S181	A177-Y179 VanDerWaalsContact C-N 3.32Å; A177-Y179 PolarHBondContact O-N 2.91Å; A177-L180 WeakPolarHBondContact O-CB 3.48Å; A177-L180 PolarHBondContact O-N 3.2Å; A177-L180 VanDerWaalsContact O-N 3.11Å; A177-S181 PolarHBondContact O-N 3.16Å; A177-S181 VanDerWaalsContact O-N 3.15Å
178	R	75.6	Confident	81	Confident	84 Å²	84	73.3 Å²	73.3	32%	0.317	41%	0.409	S	S	.	.	H	α-helix	trans	-58.1	-39.5	176.4	-172.5	-176.9	-75.2	-115	2.6	113.2	E96 I102 S176 L180 S181	E96-R178 VanDerWaalsContact CA-NH1 3.31Å; I102-R178 HydrophobicContact CD1-CG 3.96Å; S176-R178 PolarHBondContact O-N 3.41Å; R178-L180 VanDerWaalsContact C-N 3.33Å; R178-S181 PolarHBondContact O-N 2.83Å
179	Y	79.9	Confident	82.2	Confident	13 Å²	13	65.6 Å²	65.6	5%	0.051	37%	0.369	C	S	.	.	H	α-helix	trans	-74.3	-26.9	178.4	-54.7	-81	0	0	0	112.4	I102 N105 L106 M175 S176 A177 S181	I102-Y179 HydrophobicContact CB-CD1 4.18Å; I102-Y179 HydrophobicContact CB-CE1 4.49Å; I102-Y179 HydrophobicContact CG1-CD1 4.3Å; I102-Y179 HydrophobicContact CG1-CE1 4.37Å; I102-Y179 HydrophobicContact CG2-CD1 3.67Å; I102-Y179 HydrophobicContact CG2-CE1 4.44Å; I102-Y179 HydrophobicContact CG2-CG 4.46Å; N105-Y179 HydrophobicContact CB-CD1 4.22Å; N105-Y179 HydrophobicContact CB-CE1 3.5Å; N105-Y179 VanDerWaalsContact CB-CE1 3.5Å; L106-Y179 HydrophobicContact CG-CD1 4.41Å; M175-Y179 HydrophobicContact CG-CD2 3.87Å; M175-Y179 HydrophobicContact CG-CG 4.04Å; M175-Y179 HydrophobicContact SD-CD2 3.73Å; M175-Y179 HydrophobicContact SD-CE2 4.47Å; M175-Y179 HydrophobicContact SD-CG 3.82Å; S176-Y179 PolarHBondContact O-N 3.2Å; A177-Y179 VanDerWaalsContact C-N 3.32Å; A177-Y179 PolarHBondContact O-N 2.91Å; Y179-S181 VanDerWaalsContact C-N 3.28Å
180	L	74.5	Confident	83.6	Confident	135 Å²	135	68 Å²	68	71%	0.707	37%	0.369	S	S	*	.	H	α-helix	trans	-74.1	-23.8	176.4	-59.2	176	0	0	0	111.8	M175 A177 R178	M175-L180 HydrophobicContact CB-CD2 4.27Å; M175-L180 HydrophobicContact CG-CD2 4.2Å; M175-L180 HydrophobicContact CG-CG 4.43Å; A177-L180 WeakPolarHBondContact O-CB 3.48Å; A177-L180 PolarHBondContact O-N 3.2Å; A177-L180 VanDerWaalsContact O-N 3.11Å; R178-L180 VanDerWaalsContact C-N 3.33Å
181	S	76.4	Confident	84.8	Confident	103 Å²	103	66.1 Å²	66.1	72%	0.72	37%	0.366	S	S	*	.	H	α-helix	trans	-85.6	-23.2	-176.2	-166.2	0	0	0	0	114.3	A177 R178 Y179 G183	A177-S181 PolarHBondContact O-N 3.16Å; A177-S181 VanDerWaalsContact O-N 3.15Å; R178-S181 PolarHBondContact O-N 2.83Å; Y179-S181 VanDerWaalsContact C-N 3.28Å; S181-G183 PolarHBondContact O-N 2.98Å
182	S	83	Confident	86	Confident	15 Å²	15	66.7 Å²	66.7	11%	0.105	37%	0.368	C	S	.	.			trans	-91.2	89.1	-178.4	177.2	0	0	0	0	110.8	E99 K184 A185 S186	E99-S182 PolarHBondContact OE1-OG 3.43Å; S182-K184 VanDerWaalsContact C-N 3.29Å; S182-K184 PolarHBondContact O-N 3.49Å; S182-A185 PolarHBondContact O-N 2.97Å; S182-A185 WeakPolarHBondContact OG-CB 3.39Å; S182-A185 PolarHBondContact OG-N 3.2Å; S182-S186 PolarHBondContact O-N 3.18Å
183	G	88.2	Confident	87	Confident	54 Å²	54	61.8 Å²	61.8	56%	0.557	35%	0.349	S	S	*	.	H	α-helix	trans	-60	-37.7	177	0	0	0	0	0	113	S181 S186 S187	S181-G183 PolarHBondContact O-N 2.98Å; G183-S186 PolarHBondContact O-N 2.98Å; G183-S187 WeakPolarHBondContact O-CB 3.44Å; G183-S187 PolarHBondContact O-N 2.88Å
184	K	92.2	Very high	87.8	Confident	159 Å²	159	66.8 Å²	66.8	69%	0.691	38%	0.375	S	S	*	.	H	α-helix	trans	-63.9	-47	175.4	-68.2	-179.6	-178.8	179.1	0	111.7	E99 S182 S186 S187 L188	E99-K184 WeakPolarHBondContact OE1-CB 3.48Å; S182-K184 VanDerWaalsContact C-N 3.29Å; S182-K184 PolarHBondContact O-N 3.49Å; K184-S186 VanDerWaalsContact C-N 3.32Å; K184-S186 PolarHBondContact O-N 3.16Å; K184-S187 PolarHBondContact O-N 2.9Å; K184-L188 WeakPolarHBondContact O-CB 3.02Å; K184-L188 PolarHBondContact O-N 3.41Å
185	A	93.5	Very high	88.7	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-61.8	-40.6	176.7	0	0	0	0	0	112.3	E99 I102 T103 L106 S182 L188 A189	E99-A185 HydrophobicContact CG-CB 4.13Å; I102-A185 HydrophobicContact CB-CB 4.03Å; I102-A185 HydrophobicContact CG2-CB 3.52Å; T103-A185 VanDerWaalsContact OG1-CA 3.3Å; T103-A185 WeakPolarHBondContact OG1-CA 3.3Å; T103-A185 VanDerWaalsContact OG1-CB 3.3Å; T103-A185 WeakPolarHBondContact OG1-CB 3.25Å; L106-A185 HydrophobicContact CD1-CB 4.32Å; S182-A185 PolarHBondContact O-N 2.97Å; S182-A185 WeakPolarHBondContact OG-CB 3.39Å; S182-A185 PolarHBondContact OG-N 3.2Å; A185-L188 PolarHBondContact O-N 3.05Å; A185-A189 VanDerWaalsContact O-CB 3.28Å; A185-A189 WeakPolarHBondContact O-CB 3.37Å; A185-A189 PolarHBondContact O-N 3.08Å
186	S	93.3	Very high	89.5	Confident	63 Å²	63	65 Å²	65	44%	0.441	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-45.9	177	-168.4	0	0	0	0	111.8	S182 G183 K184 A189 E190	S182-S186 PolarHBondContact O-N 3.18Å; G183-S186 PolarHBondContact O-N 2.98Å; K184-S186 VanDerWaalsContact C-N 3.32Å; K184-S186 PolarHBondContact O-N 3.16Å; S186-A189 PolarHBondContact O-N 2.82Å; S186-E190 PolarHBondContact O-N 2.96Å
187	S	95.5	Very high	90.3	Very high	74 Å²	74	65.8 Å²	65.8	52%	0.517	37%	0.37	S	S	.	.	H	α-helix	trans	-63.6	-40.5	177.4	176.4	0	0	0	0	112.2	G183 K184 E190 T191	G183-S187 WeakPolarHBondContact O-CB 3.44Å; G183-S187 PolarHBondContact O-N 2.88Å; K184-S187 PolarHBondContact O-N 2.9Å; S187-E190 PolarHBondContact O-N 2.74Å; S187-T191 WeakPolarHBondContact O-CB 3.49Å; S187-T191 PolarHBondContact O-N 2.71Å; S187-T191 PolarHBondContact O-OG1 2.86Å
188	L	96.4	Very high	91.2	Very high	77 Å²	77	65.7 Å²	65.7	40%	0.403	36%	0.364	S	S	.	.	H	α-helix	trans	-67.9	-42.2	177.3	-177.6	59.2	0	0	0	111.7	T103 K184 A185 E190 T191 I192	T103-L188 HydrophobicContact CG2-CB 3.94Å; T103-L188 HydrophobicContact CG2-CD2 3.86Å; T103-L188 HydrophobicContact CG2-CG 3.74Å; K184-L188 WeakPolarHBondContact O-CB 3.02Å; K184-L188 PolarHBondContact O-N 3.41Å; A185-L188 PolarHBondContact O-N 3.05Å; L188-E190 VanDerWaalsContact C-N 3.31Å; L188-E190 PolarHBondContact O-N 2.87Å; L188-T191 PolarHBondContact O-N 2.98Å; L188-I192 HydrophobicContact CD1-CD1 4.18Å; L188-I192 HydrophobicContact CD1-CG1 4.32Å; L188-I192 HydrophobicContact CG-CD1 3.99Å; L188-I192 VanDerWaalsContact O-CG1 3.3Å; L188-I192 WeakPolarHBondContact O-CG1 3.41Å; L188-I192 PolarHBondContact O-N 3.42Å
189	A	96.4	Very high	92.1	Very high	7 Å²	7	65.2 Å²	65.2	6%	0.058	36%	0.363	C	S	.	.	H	α-helix	trans	-61.4	-42	176.9	0	0	0	0	0	111.4	T103 L106 L107 A185 S186 I192 Y193	T103-A189 HydrophobicContact CG2-CB 3.96Å; L106-A189 HydrophobicContact CB-CB 3.79Å; L107-A189 HydrophobicContact CB-CB 4.33Å; A185-A189 VanDerWaalsContact O-CB 3.28Å; A185-A189 WeakPolarHBondContact O-CB 3.37Å; A185-A189 PolarHBondContact O-N 3.08Å; S186-A189 PolarHBondContact O-N 2.82Å; A189-I192 PolarHBondContact O-N 2.95Å; A189-Y193 WeakPolarHBondContact O-CB 3.5Å; A189-Y193 PolarHBondContact O-N 3.23Å
190	E	96.6	Very high	92.9	Very high	92 Å²	92	64.6 Å²	64.6	43%	0.43	36%	0.36	S	S	.	.	H	α-helix	trans	-64.6	-46.3	175.6	-171	60.1	-153.5	0	0	111.6	S186 S187 L188 I192 Y193 L194	S186-E190 PolarHBondContact O-N 2.96Å; S187-E190 PolarHBondContact O-N 2.74Å; L188-E190 VanDerWaalsContact C-N 3.31Å; L188-E190 PolarHBondContact O-N 2.87Å; E190-I192 VanDerWaalsContact C-N 3.33Å; E190-I192 PolarHBondContact O-N 2.93Å; E190-Y193 PolarHBondContact O-N 3.45Å; E190-L194 HydrophobicContact CG-CD1 4.09Å; E190-L194 HydrophobicContact CG-CG 4.42Å; E190-L194 WeakPolarHBondContact O-CG 3.32Å; E190-L194 PolarHBondContact O-N 3.47Å
191	T	97.4	Very high	93.9	Very high	81 Å²	81	60.7 Å²	60.7	50%	0.497	34%	0.34	S	S	.	.	H	α-helix	trans	-56.4	-47.1	176.3	-59.8	0	0	0	0	111.7	S187 L188 K195	S187-T191 WeakPolarHBondContact O-CB 3.49Å; S187-T191 PolarHBondContact O-N 2.71Å; S187-T191 PolarHBondContact O-OG1 2.86Å; L188-T191 PolarHBondContact O-N 2.98Å; T191-K195 WeakPolarHBondContact O-CB 3.15Å; T191-K195 PolarHBondContact O-N 3.5Å
192	I	97.6	Very high	94.7	Very high	15 Å²	15	60.6 Å²	60.6	8%	0.077	33%	0.332	C	S	.	.	H	α-helix	trans	-62.3	-46.5	177.4	-68.4	165.2	0	0	0	110.4	T103 L107 N140 F141 L188 A189 E190 L194 K195 E196	T103-I192 HydrophobicContact CG2-CD1 4.2Å; L107-I192 HydrophobicContact CD1-CG2 4.26Å; L107-I192 HydrophobicContact CD2-CB 4.4Å; L107-I192 HydrophobicContact CD2-CG2 3.57Å; N140-I192 HydrophobicContact CB-CG2 3.97Å; N140-I192 VanDerWaalsContact CG-CG2 3.48Å; N140-I192 WeakPolarHBondContact OD1-CG2 3.47Å; F141-I192 HydrophobicContact CE2-CD1 4.31Å; F141-I192 HydrophobicContact CZ-CD1 3.97Å; L188-I192 HydrophobicContact CD1-CD1 4.18Å; L188-I192 HydrophobicContact CD1-CG1 4.32Å; L188-I192 HydrophobicContact CG-CD1 3.99Å; L188-I192 VanDerWaalsContact O-CG1 3.3Å; L188-I192 WeakPolarHBondContact O-CG1 3.41Å; L188-I192 PolarHBondContact O-N 3.42Å; A189-I192 PolarHBondContact O-N 2.95Å; E190-I192 VanDerWaalsContact C-N 3.33Å; E190-I192 PolarHBondContact O-N 2.93Å; I192-L194 PolarHBondContact O-N 3.23Å; I192-K195 PolarHBondContact O-N 2.64Å; I192-E196 HydrophobicContact CG2-CG 4.32Å; I192-E196 WeakPolarHBondContact O-CB 3.15Å; I192-E196 VanDerWaalsContact O-CG 3.28Å; I192-E196 WeakPolarHBondContact O-CG 3.29Å; I192-E196 PolarHBondContact O-N 3.34Å
193	Y	97.7	Very high	95.2	Very high	12 Å²	12	63.6 Å²	63.6	5%	0.047	35%	0.345	C	S	.	.	H	α-helix	trans	-58.6	-50.4	179.9	173	-102.6	0	0	0	111.7	L107 R110 L111 E114 A189 E190 K195 E196 H197	L107-Y193 HydrophobicContact CD1-CD2 4.4Å; R110-Y193 HydrophobicContact CG-CD2 3.75Å; R110-Y193 HydrophobicContact CG-CE2 3.69Å; R110-Y193 HydrophobicContact CG-CG 4.18Å; L111-Y193 HydrophobicContact CD2-CD2 4.17Å; L111-Y193 HydrophobicContact CD2-CE2 4.42Å; E114-Y193 PolarHBondContact OE1-OH 2.9Å; E114-Y193 WeakPolarHBondContact OE2-CE2 3.3Å; E114-Y193 PolarHBondContact OE2-OH 2.73Å; A189-Y193 WeakPolarHBondContact O-CB 3.5Å; A189-Y193 PolarHBondContact O-N 3.23Å; E190-Y193 PolarHBondContact O-N 3.45Å; Y193-K195 PolarHBondContact O-N 3Å; Y193-E196 PolarHBondContact O-N 3.48Å; Y193-H197 AromaticContact CE1-ND1 3.85Å; Y193-H197 AromaticContact CE2-ND1 3.85Å; Y193-H197 AromaticContact CZ-CE1 3.88Å; Y193-H197 AromaticContact CZ-ND1 3.36Å; Y193-H197 WeakPolarHBondContact O-CA 3.07Å; Y193-H197 VanDerWaalsContact O-CB 3.32Å; Y193-H197 WeakPolarHBondContact O-CB 3.44Å; Y193-H197 PolarHBondContact O-N 2.89Å; Y193-H197 PolarHBondContact OH-CE1 2.99Å; Y193-H197 VanDerWaalsContact OH-CE1 3.28Å; Y193-H197 PolarHBondContact OH-ND1 2.74Å
194	L	97.2	Very high	95.5	Very high	108 Å²	108	61.3 Å²	61.3	57%	0.565	32%	0.32	S	S	*	.	H	α-helix	trans	-61.9	-42	179.8	-68.2	174.6	0	0	0	112.2	E190 I192 E196 H197	E190-L194 HydrophobicContact CG-CD1 4.09Å; E190-L194 HydrophobicContact CG-CG 4.42Å; E190-L194 WeakPolarHBondContact O-CG 3.32Å; E190-L194 PolarHBondContact O-N 3.47Å; I192-L194 PolarHBondContact O-N 3.23Å; L194-E196 VanDerWaalsContact C-N 3.3Å; L194-E196 PolarHBondContact O-N 2.81Å; L194-H197 PolarHBondContact O-N 3.5Å
195	K	97.3	Very high	95.4	Very high	148 Å²	148	56.3 Å²	56.3	64%	0.643	31%	0.305	S	S	*	.	H	α-helix	trans	-58.8	-42.5	175.8	178.2	-173.5	173.2	-170.9	0	111.9	T191 I192 Y193	T191-K195 WeakPolarHBondContact O-CB 3.15Å; T191-K195 PolarHBondContact O-N 3.5Å; I192-K195 PolarHBondContact O-N 2.64Å; Y193-K195 PolarHBondContact O-N 3Å
196	E	97.1	Very high	95.2	Very high	9 Å²	9	59 Å²	59	4%	0.042	32%	0.324	C	S	.	.	H	α-helix	trans	-90.1	-10.9	-173.8	-63.9	-71.9	-171.4	0	0	113.3	V136 R139 N140 I192 Y193 L194 S198 Y199 L200	V136-E196 HydrophobicContact CG1-CB 3.92Å; V136-E196 HydrophobicContact CG1-CG 3.85Å; R139-E196 IonicContact CZ-OE1 3Å; R139-E196 IonicContact CZ-OE2 3.81Å; R139-E196 IonicContact NE-OE1 3.13Å; R139-E196 PolarHBondContact NE-OE1 3.21Å; R139-E196 IonicContact NE-OE2 3.34Å; R139-E196 VanDerWaalsContact NH2-CD 3.34Å; R139-E196 IonicContact NH2-OE1 3.04Å; R139-E196 PolarHBondContact NH2-OE1 2.9Å; R139-E196 IonicContact NH2-OE2 3.58Å; R139-E196 PolarHBondContact NH2-OE2 3.09Å; N140-E196 PolarHBondContact ND2-OE1 2.93Å; I192-E196 HydrophobicContact CG2-CG 4.32Å; I192-E196 WeakPolarHBondContact O-CB 3.15Å; I192-E196 VanDerWaalsContact O-CG 3.28Å; I192-E196 WeakPolarHBondContact O-CG 3.29Å; I192-E196 PolarHBondContact O-N 3.34Å; Y193-E196 PolarHBondContact O-N 3.48Å; L194-E196 VanDerWaalsContact C-N 3.3Å; L194-E196 PolarHBondContact O-N 2.81Å; E196-S198 PolarHBondContact O-N 3.15Å; E196-Y199 WeakPolarHBondContact O-CB 3.43Å; E196-Y199 PolarHBondContact O-N 2.94Å; E196-L200 HydrophobicContact CB-CD1 4.42Å; E196-L200 WeakPolarHBondContact O-CG 3.48Å; E196-L200 PolarHBondContact O-N 3.04Å
197	H	95.5	Very high	94.8	Very high	56 Å²	56	57.3 Å²	57.3	26%	0.259	31%	0.314	S	S	.	.	H	α-helix	trans	-60	-44.3	-170.6	-169.5	74.1	0	0	0	113.4	E114 Y115 Y193 L194 L200 N201	E114-H197 IonicContact OE1-CE1 3.59Å; E114-H197 PolarHBondContact OE1-CE1 3.11Å; E114-H197 VanDerWaalsContact OE1-CE1 3.3Å; E114-H197 IonicContact OE1-ND1 2.64Å; Y115-H197 PolarHBondContact OH-ND1 3Å; Y193-H197 AromaticContact CE1-ND1 3.85Å; Y193-H197 AromaticContact CE2-ND1 3.85Å; Y193-H197 AromaticContact CZ-CE1 3.88Å; Y193-H197 AromaticContact CZ-ND1 3.36Å; Y193-H197 WeakPolarHBondContact O-CA 3.07Å; Y193-H197 VanDerWaalsContact O-CB 3.32Å; Y193-H197 WeakPolarHBondContact O-CB 3.44Å; Y193-H197 PolarHBondContact O-N 2.89Å; Y193-H197 PolarHBondContact OH-CE1 2.99Å; Y193-H197 VanDerWaalsContact OH-CE1 3.28Å; Y193-H197 PolarHBondContact OH-ND1 2.74Å; L194-H197 PolarHBondContact O-N 3.5Å; H197-L200 PolarHBondContact O-N 3.27Å; H197-N201 PolarHBondContact CD2-ND2 3.31Å; H197-N201 VanDerWaalsContact CD2-ND2 3.31Å; H197-N201 PolarHBondContact CE1-ND2 3.37Å; H197-N201 PolarHBondContact NE2-ND2 3.33Å; H197-N201 PolarHBondContact O-N 2.9Å; H197-N201 PolarHBondContact O-ND2 3.41Å
198	S	94	Very high	94.1	Very high	74 Å²	74	58.7 Å²	58.7	52%	0.517	31%	0.31	S	S	.	.	H	α-helix	trans	-64.9	-42.1	179.1	66.3	0	0	0	0	111.6	E196 N201 N202	E196-S198 PolarHBondContact O-N 3.15Å; S198-N201 PolarHBondContact O-N 2.71Å; S198-N202 VanDerWaalsContact O-CB 3.29Å; S198-N202 WeakPolarHBondContact O-CB 3.27Å; S198-N202 PolarHBondContact O-N 2.98Å; S198-N202 PolarHBondContact O-ND2 3.34Å
199	Y	95.4	Very high	93.1	Very high	74 Å²	74	59.4 Å²	59.4	29%	0.29	32%	0.315	S	S	.	.	H	α-helix	trans	-62	-47.2	177	174.5	-100.7	0	0	0	111.5	V136 E196 N202 M203	V136-Y199 HydrophobicContact CG2-CD1 3.86Å; V136-Y199 HydrophobicContact CG2-CE1 3.89Å; E196-Y199 WeakPolarHBondContact O-CB 3.43Å; E196-Y199 PolarHBondContact O-N 2.94Å; Y199-N202 PolarHBondContact O-N 3.41Å; Y199-M203 HydrophobicContact CD2-CG 4.08Å; Y199-M203 HydrophobicContact CE1-CG 4.19Å; Y199-M203 HydrophobicContact CE2-CG 3.67Å; Y199-M203 HydrophobicContact CE2-SD 4.19Å; Y199-M203 HydrophobicContact CG-CG 4.5Å; Y199-M203 WeakPolarHBondContact O-CB 3.47Å; Y199-M203 VanDerWaalsContact O-CG 3.29Å; Y199-M203 WeakPolarHBondContact O-CG 3.27Å; Y199-M203 PolarHBondContact O-N 3.12Å
200	L	95.8	Very high	91.9	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-56.9	-51.5	176.6	-73.7	171.1	0	0	0	111.6	L111 Y115 V132 L133 V136 E196 H197 N202 M203 I204	L111-L200 HydrophobicContact CD2-CD1 3.46Å; L111-L200 VanDerWaalsContact CD2-CD1 3.46Å; Y115-L200 HydrophobicContact CE1-CB 4.31Å; Y115-L200 HydrophobicContact CE2-CB 4.35Å; Y115-L200 HydrophobicContact CE2-CD1 3.82Å; V132-L200 HydrophobicContact CG1-CD2 3.68Å; L133-L200 HydrophobicContact CD2-CD2 3.83Å; V136-L200 HydrophobicContact CB-CD2 4.28Å; V136-L200 HydrophobicContact CG2-CD2 3.57Å; V136-L200 HydrophobicContact CG2-CG 4.11Å; E196-L200 HydrophobicContact CB-CD1 4.42Å; E196-L200 WeakPolarHBondContact O-CG 3.48Å; E196-L200 PolarHBondContact O-N 3.04Å; H197-L200 PolarHBondContact O-N 3.27Å; L200-N202 PolarHBondContact O-N 2.99Å; L200-M203 PolarHBondContact O-N 3.36Å; L200-I204 VanDerWaalsContact O-CB 3.3Å; L200-I204 WeakPolarHBondContact O-CB 3.31Å; L200-I204 VanDerWaalsContact O-CG1 3.25Å; L200-I204 WeakPolarHBondContact O-CG1 3.26Å; L200-I204 PolarHBondContact O-N 3.24Å
201	N	94.8	Very high	90.3	Very high	54 Å²	54	65.9 Å²	65.9	29%	0.289	35%	0.345	S	S	.	.	H	α-helix	trans	-64.2	-42.3	-179.2	-80.7	-35.8	0	0	0	112.6	H197 S198 S205	H197-N201 PolarHBondContact CD2-ND2 3.31Å; H197-N201 VanDerWaalsContact CD2-ND2 3.31Å; H197-N201 PolarHBondContact CE1-ND2 3.37Å; H197-N201 PolarHBondContact NE2-ND2 3.33Å; H197-N201 PolarHBondContact O-N 2.9Å; H197-N201 PolarHBondContact O-ND2 3.41Å; S198-N201 PolarHBondContact O-N 2.71Å; N201-S205 WeakPolarHBondContact O-CB 3.24Å; N201-S205 PolarHBondContact O-N 2.99Å; N201-S205 PolarHBondContact O-OG 3.1Å
202	N	94.1	Very high	88.3	Confident	101 Å²	101	67.4 Å²	67.4	54%	0.54	35%	0.35	S	S	.	.	H	α-helix	trans	-64.2	-45.6	179.2	-71.2	-15.6	0	0	0	111.3	S198 Y199 L200 S206	S198-N202 VanDerWaalsContact O-CB 3.29Å; S198-N202 WeakPolarHBondContact O-CB 3.27Å; S198-N202 PolarHBondContact O-N 2.98Å; S198-N202 PolarHBondContact O-ND2 3.34Å; Y199-N202 PolarHBondContact O-N 3.41Å; L200-N202 PolarHBondContact O-N 2.99Å; N202-S206 WeakPolarHBondContact O-CB 3.38Å; N202-S206 PolarHBondContact O-N 3.04Å
203	M	93.9	Very high	86.2	Confident	78 Å²	78	72 Å²	72	38%	0.384	38%	0.378	S	S	.	.	H	α-helix	trans	-67.7	-42.1	179.4	-69.4	-64.2	97.1	0	0	112.4	V132 Y199 L200 A207	V132-M203 HydrophobicContact CG1-CB 4.09Å; V132-M203 HydrophobicContact CG2-CB 3.96Å; Y199-M203 HydrophobicContact CD2-CG 4.08Å; Y199-M203 HydrophobicContact CE1-CG 4.19Å; Y199-M203 HydrophobicContact CE2-CG 3.67Å; Y199-M203 HydrophobicContact CE2-SD 4.19Å; Y199-M203 HydrophobicContact CG-CG 4.5Å; Y199-M203 WeakPolarHBondContact O-CB 3.47Å; Y199-M203 VanDerWaalsContact O-CG 3.29Å; Y199-M203 WeakPolarHBondContact O-CG 3.27Å; Y199-M203 PolarHBondContact O-N 3.12Å; L200-M203 PolarHBondContact O-N 3.36Å; M203-A207 WeakPolarHBondContact O-CB 3.46Å; M203-A207 PolarHBondContact O-N 3.28Å
204	I	93.4	Very high	84.1	Confident	5 Å²	5	75.1 Å²	75.1	3%	0.026	41%	0.407	C	S	.	.	H	α-helix	trans	-72.7	-37.5	-178.9	-68.1	169.9	0	0	0	111.2	Y115 Y128 I129 V132 L200 K208	Y115-I204 HydrophobicContact CD1-CD1 3.24Å; Y115-I204 HydrophobicContact CE1-CD1 3.67Å; Y115-I204 HydrophobicContact CG-CD1 3.81Å; Y128-I204 HydrophobicContact CE2-CG2 4.22Å; I129-I204 HydrophobicContact CD1-CG2 4.38Å; I129-I204 HydrophobicContact CG1-CG1 4.45Å; I129-I204 HydrophobicContact CG1-CG2 4.32Å; I129-I204 HydrophobicContact CG2-CD1 4.04Å; V132-I204 HydrophobicContact CG1-CG1 4.32Å; L200-I204 VanDerWaalsContact O-CB 3.3Å; L200-I204 WeakPolarHBondContact O-CB 3.31Å; L200-I204 VanDerWaalsContact O-CG1 3.25Å; L200-I204 WeakPolarHBondContact O-CG1 3.26Å; L200-I204 PolarHBondContact O-N 3.24Å; I204-K208 WeakPolarHBondContact O-CG 3.36Å; I204-K208 PolarHBondContact O-N 2.91Å
205	S	90.5	Very high	82.1	Confident	55 Å²	55	76.8 Å²	76.8	39%	0.385	41%	0.411	S	S	.	.	H	α-helix	trans	-71.5	-47	177.8	-55.2	0	0	0	0	111.5	N201 A207 K208 D209	N201-S205 WeakPolarHBondContact O-CB 3.24Å; N201-S205 PolarHBondContact O-N 2.99Å; N201-S205 PolarHBondContact O-OG 3.1Å; S205-A207 PolarHBondContact O-N 3.4Å; S205-K208 WeakPolarHBondContact O-CA 3.3Å; S205-K208 WeakPolarHBondContact O-CB 3.35Å; S205-K208 PolarHBondContact O-N 3.49Å; S205-D209 PolarHBondContact O-N 3.08Å
206	S	88.9	Confident	79.6	Confident	56 Å²	56	73.6 Å²	73.6	39%	0.392	41%	0.412	S	S	.	.	H	α-helix	trans	-57.7	-38.1	176.9	178.8	0	0	0	0	112.4	N202 K208 D209 N210	N202-S206 WeakPolarHBondContact O-CB 3.38Å; N202-S206 PolarHBondContact O-N 3.04Å; S206-K208 VanDerWaalsContact C-N 3.34Å; S206-K208 PolarHBondContact O-N 3.32Å; S206-D209 PolarHBondContact O-N 3.01Å; S206-N210 VanDerWaalsContact O-CG 3.27Å; S206-N210 PolarHBondContact O-N 3.08Å; S206-N210 VanDerWaalsContact O-N 3.1Å; S206-N210 PolarHBondContact O-ND2 3.13Å
207	A	84.6	Confident	77	Confident	27 Å²	27	76.9 Å²	76.9	22%	0.223	44%	0.441	C	S	.	.	H	α-helix	trans	-68.8	-29.9	175.9	0	0	0	0	0	113.6	Y128 M203 S205 K211	Y128-A207 HydrophobicContact CD2-CB 3.33Å; Y128-A207 HydrophobicContact CE2-CB 3.56Å; Y128-A207 HydrophobicContact CG-CB 3.98Å; M203-A207 WeakPolarHBondContact O-CB 3.46Å; M203-A207 PolarHBondContact O-N 3.28Å; S205-A207 PolarHBondContact O-N 3.4Å; A207-K211 PolarHBondContact O-N 2.98Å
208	K	81.2	Confident	74.3	Confident	103 Å²	103	79.7 Å²	79.7	45%	0.448	46%	0.464	S	S	.	.	H	α-helix	trans	-70.4	-43.7	174	-72.4	170.9	-177.5	175.7	0	110.8	Y128 I204 S205 S206 K211 L212	Y128-K208 WeakPolarHBondContact OH-CG 3.33Å; I204-K208 WeakPolarHBondContact O-CG 3.36Å; I204-K208 PolarHBondContact O-N 2.91Å; S205-K208 WeakPolarHBondContact O-CA 3.3Å; S205-K208 WeakPolarHBondContact O-CB 3.35Å; S205-K208 PolarHBondContact O-N 3.49Å; S206-K208 VanDerWaalsContact C-N 3.34Å; S206-K208 PolarHBondContact O-N 3.32Å; K208-K211 PolarHBondContact O-N 3Å; K208-L212 PolarHBondContact O-N 2.83Å; K208-L212 VanDerWaalsContact O-N 3.13Å
209	D	76.2	Confident	71.9	Confident	93 Å²	93	84.4 Å²	84.4	50%	0.497	48%	0.48	S	S	.	.	H	α-helix	trans	-65.5	-44	-178.3	-62.5	-28.7	0	0	0	111.7	S205 S206 K211 L212 V213	S205-D209 PolarHBondContact O-N 3.08Å; S206-D209 PolarHBondContact O-N 3.01Å; D209-K211 PolarHBondContact O-N 3.33Å; D209-L212 PolarHBondContact O-N 3.11Å; D209-L212 VanDerWaalsContact O-N 3.1Å; D209-V213 WeakPolarHBondContact O-CG2 3.43Å; D209-V213 PolarHBondContact O-N 3.35Å; D209-V213 VanDerWaalsContact O-N 3.07Å
210	N	70.6	Confident	69.3	Low	108 Å²	108	86.5 Å²	86.5	58%	0.578	51%	0.506	S	S	*	.	H	α-helix	trans	-61.1	-31.4	176.4	-69.7	-24.3	0	0	0	112.6	S206 A214	S206-N210 VanDerWaalsContact O-CG 3.27Å; S206-N210 PolarHBondContact O-N 3.08Å; S206-N210 VanDerWaalsContact O-N 3.1Å; S206-N210 PolarHBondContact O-ND2 3.13Å; N210-A214 PolarHBondContact O-N 3.01Å
211	K	62.9	Low	66.5	Low	127 Å²	127	89.9 Å²	89.9	55%	0.552	54%	0.54	S	S	*	.	H	α-helix	trans	-75.3	-32.5	176.9	-165.8	177.9	179.6	-173.8	0	112.5	A207 K208 D209 Q215	A207-K211 PolarHBondContact O-N 2.98Å; K208-K211 PolarHBondContact O-N 3Å; D209-K211 PolarHBondContact O-N 3.33Å; K211-Q215 PolarHBondContact O-N 3.46Å
212	L	56.4	Low	63.5	Low	113 Å²	113	98.2 Å²	98.2	59%	0.592	57%	0.569	S	S	*	*	H	α-helix	trans	-70.5	-36.9	175.5	-69.5	172	0	0	0	111.5	K208 D209 A214 Q215	K208-L212 PolarHBondContact O-N 2.83Å; K208-L212 VanDerWaalsContact O-N 3.13Å; D209-L212 PolarHBondContact O-N 3.11Å; D209-L212 VanDerWaalsContact O-N 3.1Å; L212-A214 VanDerWaalsContact C-N 3.34Å; L212-A214 PolarHBondContact O-N 3.17Å; L212-Q215 PolarHBondContact O-N 2.82Å
213	V	53.5	Low	61	Low	112 Å²	112	102.8 Å²	102.8	68%	0.679	59%	0.587	S	S	*	*	H	α-helix	trans	-64.7	-37.8	175.1	175.2	0	0	0	0	111.7	D209 Q215	D209-V213 WeakPolarHBondContact O-CG2 3.43Å; D209-V213 PolarHBondContact O-N 3.35Å; D209-V213 VanDerWaalsContact O-N 3.07Å; V213-Q215 VanDerWaalsContact C-N 3.31Å; V213-Q215 PolarHBondContact O-N 3.42Å
214	A	52.8	Low	58.1	Low	77 Å²	77	106.7 Å²	106.7	64%	0.636	60%	0.604	S	S	*	*	H	α-helix	trans	-71	-21.1	177.4	0	0	0	0	0	114.2	N210 L212	N210-A214 PolarHBondContact O-N 3.01Å; L212-A214 VanDerWaalsContact C-N 3.34Å; L212-A214 PolarHBondContact O-N 3.17Å
215	Q	55.3	Low	55.2	Low	143 Å²	143	112.7 Å²	112.7	67%	0.668	64%	0.635	S	S	*	*	H	α-helix	trans	-91.8	-6.9	-179.6	-74.9	-175	-8.9	0	0	114.2	K211 L212 V213	K211-Q215 PolarHBondContact O-N 3.46Å; L212-Q215 PolarHBondContact O-N 2.82Å; V213-Q215 VanDerWaalsContact C-N 3.31Å; V213-Q215 PolarHBondContact O-N 3.42Å
216	A	45.7	Very low	52.6	Low	80 Å²	80	115.4 Å²	115.4	66%	0.661	65%	0.65	S	S	*	*	S	Bend	trans	-94	5.5	-178.6	0	0	0	0	0	114.7	P218	A216-P218 WeakPolarHBondContact O-CD 3.35Å
217	A	41.9	Very low	49.9	Very low	78 Å²	78	120.8 Å²	120.8	65%	0.645	67%	0.669	S	S	*	*			trans	-100.9	113	175.7	0	0	0	0	0	111	M219	A217-M219 PolarHBondContact O-N 3.29Å
218	P	38	Very low	47.4	Very low	115 Å²	115	127 Å²	127	75%	0.747	70%	0.698	S	S	*	*			trans	-94.7	91.3	174.5	33.8	-25.4	0	0	0	109	A216	A216-P218 WeakPolarHBondContact O-CD 3.35Å
219	M	43.7	Very low	45.3	Very low	173 Å²	173	131.3 Å²	131.3	85%	0.852	72%	0.72	S	S	*	*			trans	-149.2	106.1	165	-72.7	-54.7	-84.9	0	0	112.1	A217	A217-M219 PolarHBondContact O-N 3.29Å
220	S	40.3	Very low	43.3	Very low	119 Å²	119	134.7 Å²	134.7	83%	0.832	74%	0.736	S	S	*	*			trans	38.4	120.2	131.3	177.1	0	0	0	0	119.7
221	G	37.1	Very low	41.6	Very low	70 Å²	70	137.5 Å²	137.5	72%	0.722	75%	0.746	S	S	*	*			trans	132.4	111	143.9	0	0	0	0	0	115.5
222	Y	33.5	Very low	40.1	Very low	229 Å²	229	138.7 Å²	138.7	90%	0.898	76%	0.758	S	S	*	*			trans	-51.2	135.5	167.8	-62.7	-96.3	0	0	0	112.9
223	H	41.8	Very low	39.1	Very low	197 Å²	197	139.8 Å²	139.8	91%	0.912	77%	0.77	S	S	*	*				-172.2	145.5	123.9	-111.6	-80.6	0	0	0	112.5
224	E	31.3	Very low	38.3	Very low	160 Å²	160	141.7 Å²	141.7	75%	0.748	78%	0.776	S	S	*	*			trans	-97.2	155.4	-171.9	-152.8	-172.8	164.7	0	0	110.9
225	I	33.6	Very low	37.6	Very low	131 Å²	131	147.7 Å²	147.7	67%	0.672	79%	0.788	S	S	*	*			trans	66	124.7	161.7	-23.6	178	0	0	0	114.4
226	T	35.8	Very low	36.6	Very low	113 Å²	113	149.1 Å²	149.1	69%	0.693	80%	0.799	S	S	*	*				-177.8	150.3	62.5	-37	0	0	0	0	109
227	E	31.4	Very low	36.4	Very low	168 Å²	168	152.9 Å²	152.9	79%	0.785	81%	0.806	S	S	*	*			trans	-26.5	128.6	160.9	-60.2	164.1	164.4	0	0	114
228	N	33.3	Very low	36.2	Very low	157 Å²	157	157.9 Å²	157.9	84%	0.84	82%	0.816	S	S	*	*			trans	155.2	95.3	145.1	-77.6	-28	0	0	0	110.8
229	E	37.3	Very low	35.9	Very low	195 Å²	195	161.3 Å²	161.3	91%	0.911	82%	0.822	S	S	*	*			trans	-161.4	76.1	143	-117.7	175.7	176.2	0	0	110.6	Q231	E229-Q231 PolarHBondContact O-N 3.47Å
230	I	34.2	Very low	35.6	Very low	163 Å²	163	162.2 Å²	162.2	84%	0.836	82%	0.824	S	S	*	*			trans	-76.8	104.4	152.6	-64.2	168.3	0	0	0	105.1
231	Q	34.1	Very low	35.3	Very low	168 Å²	168	165 Å²	165	79%	0.785	83%	0.829	S	S	*	*			trans	164.6	105	151.8	-93.5	165.3	34.6	0	0	110	E229	E229-Q231 PolarHBondContact O-N 3.47Å
232	N	30.8	Very low	35.1	Very low	152 Å²	152	170.7 Å²	170.7	81%	0.813	84%	0.836	S	S	*	*			trans	145.1	71	145.6	-88.7	-37.6	0	0	0	113.8
233	T	35.7	Very low	35.3	Very low	136 Å²	136	167.7 Å²	167.7	83%	0.834	84%	0.835	S	S	*	*			trans	-147.2	51.4	155.2	59.2	0	0	0	0	111.5
234	N	36.3	Very low	34.9	Very low	151 Å²	151	165.6 Å²	165.6	81%	0.807	83%	0.825	S	S	*	*	S	Bend	trans	-122.4	23.8	173.4	-78.9	-17.6	0	0	0	113.1
235	K	38.7	Very low	35.1	Very low	203 Å²	203	167.6 Å²	167.6	88%	0.883	84%	0.835	S	S	*	*	S	Bend	trans	-127.9	16	-173.2	-101.7	-174.5	179.7	-176.7	0	117.1
236	L	34.6	Very low	35.3	Very low	174 Å²	174	165.7 Å²	165.7	91%	0.911	83%	0.833	S	S	*	*			trans	-124.6	50.4	178.9	-152.9	79.6	0	0	0	112.5
237	I	40.8	Very low	35.1	Very low	158 Å²	158	167.2 Å²	167.2	81%	0.81	83%	0.832	S	S	*	*			trans	-120.1	0.4	179.2	-63.2	177.3	0	0	0	112.3
238	H	38.2	Very low	35.4	Very low	184 Å²	184	167 Å²	167	85%	0.852	83%	0.834	S	S	*	*	S	Bend	trans	-103.8	18.4	-172	-144.8	-68	0	0	0	116.3
239	H	32.5	Very low	35.6	Very low	187 Å²	187	166.5 Å²	166.5	87%	0.866	83%	0.827	S	S	*	*	S	Bend	trans	-133.7	126	173.8	-118.5	26.4	0	0	0	110.2
240	Q	36	Very low	35.7	Very low	191 Å²	191	166.3 Å²	166.3	89%	0.893	83%	0.826	S	S	*	*			trans	95.5	53.5	169.4	-144.1	166.2	68.7	0	0	116.8
241	L	34.7	Very low	35.6	Very low	179 Å²	179	164.6 Å²	164.6	94%	0.937	82%	0.823	S	S	*	*			trans	-129.8	82.6	149.1	-74.9	175.6	0	0	0	108.4
242	Q	32.5	Very low	35.8	Very low	188 Å²	188	164.1 Å²	164.1	88%	0.879	83%	0.826	S	S	*	*			trans	-136.8	79.7	166	-157.6	166.3	24.2	0	0	106.1
243	L	38.2	Very low	36.2	Very low	166 Å²	166	161.8 Å²	161.8	87%	0.869	82%	0.819	S	S	*	*			trans	-127.4	124.2	164.9	-76.4	176.4	0	0	0	108.3
244	H	32.9	Very low	36.9	Very low	153 Å²	153	163.9 Å²	163.9	71%	0.708	82%	0.82	S	S	*	*			trans	-52.3	130.2	-170.8	64	93.6	0	0	0	114.1	S246	H244-S246 PolarHBondContact O-N 3.07Å
245	E	35.9	Very low	37.2	Very low	202 Å²	202	163.7 Å²	163.7	94%	0.944	82%	0.817	S	S	*	*			trans	-75	108.7	156.7	-111.4	176.1	151.3	0	0	107.7
246	S	37.2	Very low	37.1	Very low	92 Å²	92	159.5 Å²	159.5	64%	0.643	81%	0.809	S	S	*	*			trans	-88.1	106.6	163.4	33.3	0	0	0	0	109.3	H244 I248	H244-S246 PolarHBondContact O-N 3.07Å; S246-I248 PolarHBondContact O-N 3.13Å
247	H	32.3	Very low	37.1	Very low	145 Å²	145	155.9 Å²	155.9	67%	0.671	79%	0.794	S	S	*	*			trans	-35.3	116.8	166.3	-149	57.4	0	0	0	113.3	Q249	H247-Q249 PolarHBondContact CD2-OE1 3.23Å; H247-Q249 PolarHBondContact NE2-NE2 3.1Å
248	I	37.6	Very low	37.1	Very low	162 Å²	162	156.6 Å²	156.6	83%	0.831	79%	0.793	S	S	*	*			trans	-106.6	100.8	160.1	-67.6	-74.5	0	0	0	106.7	S246	S246-I248 PolarHBondContact O-N 3.13Å
249	Q	36.3	Very low	37	Very low	147 Å²	147	152.6 Å²	152.6	69%	0.687	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-81.8	116.5	170	-114.3	161.7	-11.6	0	0	108.8	H247	H247-Q249 PolarHBondContact CD2-OE1 3.23Å; H247-Q249 PolarHBondContact NE2-NE2 3.1Å
250	Q	39.3	Very low	37.3	Very low	191 Å²	191	150 Å²	150	89%	0.893	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-80.1	118.3	171.1	-156.7	174.9	-29.9	0	0	108.4
251	V	34.1	Very low	37.3	Very low	128 Å²	128	144.9 Å²	144.9	78%	0.776	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-95.1	129.5	174.6	173	0	0	0	0	108
252	D	37.3	Very low	37.7	Very low	157 Å²	157	146.1 Å²	146.1	84%	0.84	76%	0.758	S	S	*	*			trans	-141	136.6	155.4	-134.1	-10.7	0	0	0	108.8
253	P	39.7	Very low	38.1	Very low	104 Å²	104	143.5 Å²	143.5	68%	0.675	75%	0.751	S	S	*	*			trans	-100.1	140.2	-158.1	36	-29.6	0	0	0	113.5
254	Q	49.5	Very low	38.3	Very low	179 Å²	179	142.1 Å²	142.1	84%	0.836	74%	0.744	S	S	*	*			trans	-127.7	112.9	161.1	-67.2	-156.3	24.5	0	0	112.2
255	I	43.7	Very low	39.1	Very low	147 Å²	147	141.4 Å²	141.4	75%	0.754	75%	0.746	S	S	*	*				57	102.9	126.2	-57.2	174.7	0	0	0	118.6
256	T	36	Very low	39.4	Very low	116 Å²	116	138.5 Å²	138.5	71%	0.712	74%	0.737	S	S	*	*				68.2	100.4	123.5	-50.1	0	0	0	0	121.4
257	T	34.5	Very low	40	Very low	98 Å²	98	143.1 Å²	143.1	60%	0.601	75%	0.75	S	S	*	*			trans	43.7	135.7	134	63.3	0	0	0	0	123.4
258	H	40.2	Very low	40.5	Very low	172 Å²	172	144.3 Å²	144.3	80%	0.796	75%	0.753	S	S	*	*			trans	129.8	135.3	136.4	-63.6	-52.3	0	0	0	111.2
259	T	36.9	Very low	40.9	Very low	101 Å²	101	144.7 Å²	144.7	62%	0.62	76%	0.755	S	S	*	*			cis	-174.2	146.8	-12.1	-60.6	0	0	0	0	103.7
260	T	37.6	Very low	41	Very low	133 Å²	133	143.8 Å²	143.8	82%	0.816	76%	0.755	S	S	*	*			trans	67.6	143.2	154	46.6	0	0	0	0	118.6
261	S	36.9	Very low	41.1	Very low	82 Å²	82	142.6 Å²	142.6	57%	0.573	76%	0.755	S	S	*	*			cis	-171.7	156.8	14.5	82.6	0	0	0	0	111.4
262	Y	42.5	Very low	41.2	Very low	205 Å²	205	140.6 Å²	140.6	80%	0.804	75%	0.747	S	S	*	*			trans	54.3	145.7	146.8	-58.7	-58.8	0	0	0	120.2
263	N	40.7	Very low	41.5	Very low	133 Å²	133	144.1 Å²	144.1	71%	0.711	75%	0.75	S	S	*	*			cis	-177.1	174.6	-23	-111.5	4.6	0	0	0	105.5
264	D	44.2	Very low	41.5	Very low	138 Å²	138	144.8 Å²	144.8	74%	0.738	75%	0.748	S	S	*	*			trans	85	132.5	169.4	-61.2	-13.3	0	0	0	115.7
265	D	48.7	Very low	41.1	Very low	138 Å²	138	143 Å²	143	74%	0.738	74%	0.743	S	S	*	*			cis	-160.4	160.3	11.3	-119.8	-34	0	0	0	111.7
266	N	43.1	Very low	40.8	Very low	141 Å²	141	141.1 Å²	141.1	75%	0.754	74%	0.74	S	S	*	*			trans	-63	151.7	-173.4	-69.9	-69.2	0	0	0	116.6
267	M	48.6	Very low	40.7	Very low	189 Å²	189	141.4 Å²	141.4	93%	0.931	74%	0.741	S	S	*	*				-161	118.1	126.8	-101.9	-68.9	165.5	0	0	111.2
268	K	42.7	Very low	40.9	Very low	169 Å²	169	144.7 Å²	144.7	74%	0.735	76%	0.755	S	S	*	*			trans	-67.3	145.9	172.5	-67.6	169.4	172.2	178	0	111.2
269	I	45.4	Very low	40.9	Very low	170 Å²	170	140.9 Å²	140.9	87%	0.872	75%	0.748	S	S	*	*				-152	119.6	122.7	-56.6	-169	0	0	0	108.4
270	N	39.7	Very low	41.1	Very low	129 Å²	129	144.4 Å²	144.4	69%	0.69	76%	0.763	S	S	*	*			trans	-89.2	149.2	175.7	-59.2	-20	0	0	0	110.1
271	N	41.5	Very low	41.2	Very low	166 Å²	166	146 Å²	146	89%	0.888	76%	0.761	S	S	*	*			trans	-153.3	105.7	139.8	-104.9	1.1	0	0	0	109.3
272	S	36.5	Very low	41.6	Very low	86 Å²	86	151.7 Å²	151.7	60%	0.601	78%	0.779	S	S	*	*			trans	-91.1	141.4	166.5	-176.4	0	0	0	0	108.8
273	Y	43.5	Very low	41.6	Very low	230 Å²	230	148.8 Å²	148.8	90%	0.902	78%	0.776	S	S	*	*			trans	-139.2	121.6	151.7	-102.2	-83.4	0	0	0	108.7
274	D	39.5	Very low	41.4	Very low	119 Å²	119	147.5 Å²	147.5	64%	0.636	77%	0.774	S	S	*	*			trans	-90.6	140.4	-178.8	-82.1	-58.7	0	0	0	112.2
275	I	39.9	Very low	40.9	Very low	142 Å²	142	147.6 Å²	147.6	73%	0.728	78%	0.78	S	S	*	*				62.7	157.8	126.7	-57.1	173.4	0	0	0	118.1
276	P	38	Very low	40.3	Very low	107 Å²	107	146.8 Å²	146.8	70%	0.695	79%	0.785	S	S	*	*			cis	-134.9	165.7	2.2	17.4	9.4	0	0	0	118.7
277	V	34.3	Very low	40	Very low	121 Å²	121	147.2 Å²	147.2	73%	0.733	79%	0.787	S	S	*	*				28.4	125.4	128.1	-172	0	0	0	0	119.9
278	N	38.8	Very low	39.3	Very low	168 Å²	168	145.7 Å²	145.7	90%	0.898	78%	0.782	S	S	*	*			trans	-140.6	126	139.7	-106	-8.1	0	0	0	110.1
279	S	39.1	Very low	39	Very low	91 Å²	91	142.9 Å²	142.9	64%	0.636	78%	0.784	S	S	*	*			trans	-76.6	146.3	164.2	-27.1	0	0	0	0	108.9
280	D	42.5	Very low	38.4	Very low	176 Å²	176	140.1 Å²	140.1	94%	0.941	79%	0.786	S	S	*	*			trans	-169.8	144.7	131.3	-87.4	-25	0	0	0	110.4
281	E	39.4	Very low	38.4	Very low	166 Å²	166	138 Å²	138	78%	0.776	78%	0.782	S	S	*	*			trans	-108.1	123.8	-161.7	174.9	-178.2	-167.2	0	0	109
282	E	44.5	Very low	38.8	Very low	202 Å²	202	139.5 Å²	139.5	94%	0.944	78%	0.784	S	S	*	*			trans	-145	128.9	157.7	-77.6	-163.8	159	0	0	110.8
283	I	42.2	Very low	39.6	Very low	144 Å²	144	143.2 Å²	143.2	74%	0.738	79%	0.791	S	S	*	*			trans	-100	178.8	-179.6	-26.7	178.6	0	0	0	109.8
284	P	37	Very low	40.1	Very low	105 Å²	105	139.3 Å²	139.3	68%	0.682	79%	0.786	S	S	*	*				-124.8	163.5	-102	41.1	-23.9	0	0	0	113.5
285	T	34	Very low	41.6	Very low	140 Å²	140	138.1 Å²	138.1	86%	0.859	78%	0.779	S	S	*	*			trans	-175.7	114	146.4	5.8	0	0	0	0	111.5
286	S	35.2	Very low	43.6	Very low	121 Å²	121	137.1 Å²	137.1	85%	0.846	78%	0.775	S	S	*	*			trans	-163.6	123.3	134.9	62.6	0	0	0	0	110.4
287	L	36.9	Very low	45.9	Very low	150 Å²	150	134.6 Å²	134.6	79%	0.785	77%	0.768	S	S	*	*			trans	-70.7	156.7	164.2	-74	101.5	0	0	0	109.6
288	N	34.5	Very low	48.4	Very low	157 Å²	157	134.9 Å²	134.9	84%	0.84	76%	0.764	S	S	*	*			trans	98.7	80.5	163.7	-55.7	-27.6	0	0	0	117.1
289	S	35.8	Very low	50.7	Low	110 Å²	110	129.2 Å²	129.2	77%	0.769	74%	0.741	S	S	*	*			trans	-167.2	105.6	130.4	52.1	0	0	0	0	108	S291	S289-S291 VanDerWaalsContact C-N 3.29Å; S289-S291 PolarHBondContact O-N 3.1Å
290	A	33.1	Very low	53.1	Low	112 Å²	112	129.5 Å²	129.5	93%	0.926	73%	0.731	S	S	*	*			trans	-67.6	90.2	172.8	0	0	0	0	0	108.8
291	S	41.2	Very low	55.5	Low	85 Å²	85	125.4 Å²	125.4	59%	0.594	71%	0.712	S	S	*	*			trans	-67	135.3	158.4	52	0	0	0	0	107.4	S289 Q293	S289-S291 VanDerWaalsContact C-N 3.29Å; S289-S291 PolarHBondContact O-N 3.1Å; S291-Q293 PolarHBondContact O-N 3.21Å
292	Q	49	Very low	58	Low	198 Å²	198	123.5 Å²	123.5	93%	0.925	70%	0.701	S	S	*	*			trans	-57.6	91	164.4	-82.8	158.9	-68.6	0	0	107.4	N294	Q292-N294 PolarHBondContact O-N 3.42Å
293	Q	53.3	Low	60.3	Low	164 Å²	164	118.2 Å²	118.2	77%	0.766	68%	0.679	S	S	*	*			trans	-66	108	169	-72.6	-169.1	-19.6	0	0	106	S291 I295	S291-Q293 PolarHBondContact O-N 3.21Å; Q293-I295 VanDerWaalsContact C-N 3.27Å; Q293-I295 PolarHBondContact O-N 3.48Å
294	N	54.3	Low	62.8	Low	147 Å²	147	115.7 Å²	115.7	79%	0.786	67%	0.666	S	S	*	*			trans	-60.8	94.4	170.8	-165.3	2.5	0	0	0	106.7	Q292 D296	Q292-N294 PolarHBondContact O-N 3.42Å; N294-D296 PolarHBondContact O-N 3.22Å
295	I	71.1	Confident	65.4	Low	95 Å²	95	116.2 Å²	116.2	49%	0.487	66%	0.66	S	S	.	*			trans	-64.8	116.2	170.1	39	171.4	0	0	0	106.8	Q293 G297 F300	Q293-I295 VanDerWaalsContact C-N 3.27Å; Q293-I295 PolarHBondContact O-N 3.48Å; I295-G297 PolarHBondContact O-N 3.44Å; I295-F300 HydrophobicContact CD1-CB 4.01Å; I295-F300 HydrophobicContact CD1-CD2 3.51Å; I295-F300 HydrophobicContact CD1-CE2 4.35Å; I295-F300 HydrophobicContact CD1-CG 4.1Å
296	D	82.1	Confident	68.3	Low	121 Å²	121	115.6 Å²	115.6	65%	0.647	65%	0.647	S	S	*	*			trans	-50.6	139.7	174.1	-88.5	-23.5	0	0	0	109.6	N294 I298 A299 F300	N294-D296 PolarHBondContact O-N 3.22Å; D296-I298 PolarHBondContact O-N 3.18Å; D296-A299 WeakPolarHBondContact O-CA 3.32Å; D296-A299 WeakPolarHBondContact O-CB 3.4Å; D296-A299 PolarHBondContact O-N 3.28Å; D296-F300 PolarHBondContact O-N 3.3Å
297	G	85.9	Confident	71.2	Confident	53 Å²	53	112.8 Å²	112.8	55%	0.546	63%	0.625	S	S	.	*	H	α-helix	trans	-52.5	-31.5	-176.4	0	0	0	0	0	113.1	I295 F300 V301	I295-G297 PolarHBondContact O-N 3.44Å; G297-F300 PolarHBondContact O-N 3.08Å; G297-V301 VanDerWaalsContact O-CG2 3.25Å; G297-V301 WeakPolarHBondContact O-CG2 3.33Å; G297-V301 PolarHBondContact O-N 3.24Å
298	I	86.3	Confident	73.9	Confident	127 Å²	127	108.4 Å²	108.4	65%	0.651	61%	0.61	S	S	*	*	H	α-helix	trans	-66.9	-42.7	174.9	-60.3	174.2	0	0	0	111.7	D296 F300 V301 K302	D296-I298 PolarHBondContact O-N 3.18Å; I298-F300 VanDerWaalsContact C-N 3.34Å; I298-V301 PolarHBondContact O-N 2.88Å; I298-K302 WeakPolarHBondContact O-CG 3.47Å; I298-K302 PolarHBondContact O-N 3.42Å
299	A	88.6	Confident	76.7	Confident	50 Å²	50	107 Å²	107	41%	0.413	60%	0.599	S	S	.	*	H	α-helix	trans	-65.8	-39.9	176.9	0	0	0	0	0	111	D296 K302 L303	D296-A299 WeakPolarHBondContact O-CA 3.32Å; D296-A299 WeakPolarHBondContact O-CB 3.4Å; D296-A299 PolarHBondContact O-N 3.28Å; A299-K302 PolarHBondContact O-N 3.02Å; A299-L303 WeakPolarHBondContact O-CB 3.32Å; A299-L303 PolarHBondContact O-N 3.15Å
300	F	88.8	Confident	79.4	Confident	97 Å²	97	107.6 Å²	107.6	43%	0.425	59%	0.588	S	S	.	*	H	α-helix	trans	-64.4	-42.7	174.8	-175	-113.4	0	0	0	112.4	I295 D296 G297 I298 L303 L304	I295-F300 HydrophobicContact CD1-CB 4.01Å; I295-F300 HydrophobicContact CD1-CD2 3.51Å; I295-F300 HydrophobicContact CD1-CE2 4.35Å; I295-F300 HydrophobicContact CD1-CG 4.1Å; D296-F300 PolarHBondContact O-N 3.3Å; G297-F300 PolarHBondContact O-N 3.08Å; I298-F300 VanDerWaalsContact C-N 3.34Å; F300-L303 PolarHBondContact O-N 2.81Å; F300-L304 HydrophobicContact CD1-CD1 3.83Å; F300-L304 HydrophobicContact CD1-CG 4.43Å; F300-L304 HydrophobicContact CE1-CD1 3.39Å; F300-L304 HydrophobicContact CE1-CG 4.09Å; F300-L304 HydrophobicContact CE2-CG 4.38Å; F300-L304 HydrophobicContact CZ-CD1 3.79Å; F300-L304 HydrophobicContact CZ-CD2 4.27Å; F300-L304 HydrophobicContact CZ-CG 4.06Å; F300-L304 WeakPolarHBondContact O-CG 3.31Å; F300-L304 PolarHBondContact O-N 2.94Å
301	V	91.5	Very high	82.4	Confident	89 Å²	89	107.2 Å²	107.2	54%	0.539	57%	0.57	S	S	.	*	H	α-helix	trans	-62.2	-44.7	175.6	169.7	0	0	0	0	111.2	G297 I298 L303 L304 E305	G297-V301 VanDerWaalsContact O-CG2 3.25Å; G297-V301 WeakPolarHBondContact O-CG2 3.33Å; G297-V301 PolarHBondContact O-N 3.24Å; I298-V301 PolarHBondContact O-N 2.88Å; V301-L303 VanDerWaalsContact C-N 3.33Å; V301-L303 PolarHBondContact O-N 3.15Å; V301-L304 PolarHBondContact O-N 3.29Å; V301-E305 WeakPolarHBondContact O-CB 3.46Å; V301-E305 PolarHBondContact O-N 3.23Å
302	K	92.3	Very high	84.8	Confident	127 Å²	127	108.6 Å²	108.6	55%	0.552	57%	0.566	S	S	*	*	H	α-helix	trans	-61.5	-40.8	175.1	-74.9	-177.6	176.7	-176.6	0	112.4	I298 A299 L304 E305 Q306	I298-K302 WeakPolarHBondContact O-CG 3.47Å; I298-K302 PolarHBondContact O-N 3.42Å; A299-K302 PolarHBondContact O-N 3.02Å; K302-L304 VanDerWaalsContact C-N 3.35Å; K302-E305 PolarHBondContact O-N 3.23Å; K302-Q306 WeakPolarHBondContact O-CB 3.5Å; K302-Q306 VanDerWaalsContact O-CG 3.31Å; K302-Q306 WeakPolarHBondContact O-CG 3.41Å; K302-Q306 PolarHBondContact O-N 3.48Å
303	L	93	Very high	86.8	Confident	90 Å²	90	103.9 Å²	103.9	47%	0.471	55%	0.547	S	S	.	.	H	α-helix	trans	-63.5	-41.9	176.1	-179.2	65	0	0	0	111.4	A299 F300 V301 T307	A299-L303 WeakPolarHBondContact O-CB 3.32Å; A299-L303 PolarHBondContact O-N 3.15Å; F300-L303 PolarHBondContact O-N 2.81Å; V301-L303 VanDerWaalsContact C-N 3.33Å; V301-L303 PolarHBondContact O-N 3.15Å; L303-T307 WeakPolarHBondContact O-CB 3.49Å; L303-T307 PolarHBondContact O-N 3.35Å; L303-T307 PolarHBondContact O-OG1 2.83Å
304	L	95	Very high	88.5	Confident	91 Å²	91	98 Å²	98	48%	0.476	52%	0.52	S	S	.	.	H	α-helix	trans	-64.2	-42	175.3	-77.5	175.8	0	0	0	111.9	F300 V301 K302 T307 A308	F300-L304 HydrophobicContact CD1-CD1 3.83Å; F300-L304 HydrophobicContact CD1-CG 4.43Å; F300-L304 HydrophobicContact CE1-CD1 3.39Å; F300-L304 HydrophobicContact CE1-CG 4.09Å; F300-L304 HydrophobicContact CE2-CG 4.38Å; F300-L304 HydrophobicContact CZ-CD1 3.79Å; F300-L304 HydrophobicContact CZ-CD2 4.27Å; F300-L304 HydrophobicContact CZ-CG 4.06Å; F300-L304 WeakPolarHBondContact O-CG 3.31Å; F300-L304 PolarHBondContact O-N 2.94Å; V301-L304 PolarHBondContact O-N 3.29Å; K302-L304 VanDerWaalsContact C-N 3.35Å; L304-T307 PolarHBondContact O-N 2.89Å; L304-A308 WeakPolarHBondContact O-CB 3.34Å; L304-A308 PolarHBondContact O-N 3.49Å
305	E	92.8	Very high	90.1	Very high	117 Å²	117	92.7 Å²	92.7	55%	0.547	50%	0.497	S	S	.	.	H	α-helix	trans	-61.9	-49.3	176.3	-172.3	172.2	-158.5	0	0	111.3	V301 K302 T307 A308 E309	V301-E305 WeakPolarHBondContact O-CB 3.46Å; V301-E305 PolarHBondContact O-N 3.23Å; K302-E305 PolarHBondContact O-N 3.23Å; E305-T307 VanDerWaalsContact C-N 3.31Å; E305-T307 PolarHBondContact O-N 3.48Å; E305-A308 WeakPolarHBondContact O-CB 3.43Å; E305-A308 PolarHBondContact O-N 3.32Å; E305-A308 VanDerWaalsContact O-N 3.13Å; E305-E309 PolarHBondContact O-N 3.04Å
306	Q	94.1	Very high	90.9	Very high	126 Å²	126	92.3 Å²	92.3	59%	0.589	50%	0.496	S	S	*	.	H	α-helix	trans	-59.8	-40	175	-73.5	179.2	-30.7	0	0	112.5	K302 A308 E309 F310	K302-Q306 WeakPolarHBondContact O-CB 3.5Å; K302-Q306 VanDerWaalsContact O-CG 3.31Å; K302-Q306 WeakPolarHBondContact O-CG 3.41Å; K302-Q306 PolarHBondContact O-N 3.48Å; Q306-A308 VanDerWaalsContact C-N 3.34Å; Q306-E309 PolarHBondContact O-N 3.45Å; Q306-F310 WeakPolarHBondContact O-CB 3.44Å; Q306-F310 PolarHBondContact O-N 3.25Å
307	T	94.8	Very high	91	Very high	63 Å²	63	91.3 Å²	91.3	39%	0.387	48%	0.483	S	S	.	.	H	α-helix	trans	-66.3	-38.8	177.2	-56	0	0	0	0	111	L303 L304 E305 F310 L311	L303-T307 WeakPolarHBondContact O-CB 3.49Å; L303-T307 PolarHBondContact O-N 3.35Å; L303-T307 PolarHBondContact O-OG1 2.83Å; L304-T307 PolarHBondContact O-N 2.89Å; E305-T307 VanDerWaalsContact C-N 3.31Å; E305-T307 PolarHBondContact O-N 3.48Å; T307-F310 PolarHBondContact O-N 3.36Å; T307-L311 HydrophobicContact CG2-CD1 4.24Å; T307-L311 WeakPolarHBondContact O-CB 3.29Å; T307-L311 VanDerWaalsContact O-CG 3.3Å; T307-L311 WeakPolarHBondContact O-CG 3.48Å; T307-L311 PolarHBondContact O-N 3.11Å
308	A	94.2	Very high	90.9	Very high	58 Å²	58	93.7 Å²	93.7	48%	0.479	48%	0.483	S	S	.	.	H	α-helix	trans	-66.2	-43.1	176.1	0	0	0	0	0	112	L304 E305 Q306 L311 Q312	L304-A308 WeakPolarHBondContact O-CB 3.34Å; L304-A308 PolarHBondContact O-N 3.49Å; E305-A308 WeakPolarHBondContact O-CB 3.43Å; E305-A308 PolarHBondContact O-N 3.32Å; E305-A308 VanDerWaalsContact O-N 3.13Å; Q306-A308 VanDerWaalsContact C-N 3.34Å; A308-L311 PolarHBondContact O-N 3.31Å; A308-Q312 WeakPolarHBondContact O-CB 3.5Å; A308-Q312 PolarHBondContact O-N 2.99Å
309	E	93.1	Very high	90.7	Very high	128 Å²	128	94.6 Å²	94.6	60%	0.598	49%	0.489	S	S	*	.	H	α-helix	trans	-61.1	-43.9	174.7	-72	-174.3	166.8	0	0	112.1	E305 Q306 Q312 L313	E305-E309 PolarHBondContact O-N 3.04Å; Q306-E309 PolarHBondContact O-N 3.45Å; E309-Q312 PolarHBondContact O-N 3.41Å; E309-L313 WeakPolarHBondContact O-CB 3.31Å; E309-L313 PolarHBondContact O-N 3.27Å
310	F	94.1	Very high	90.4	Very high	122 Å²	122	95.6 Å²	95.6	54%	0.535	50%	0.498	S	S	.	.	H	α-helix	trans	-62.4	-44.5	176.7	175.4	-108.9	0	0	0	112.3	Q306 T307 Q312 L313 I314	Q306-F310 WeakPolarHBondContact O-CB 3.44Å; Q306-F310 PolarHBondContact O-N 3.25Å; T307-F310 PolarHBondContact O-N 3.36Å; F310-Q312 VanDerWaalsContact C-N 3.35Å; F310-L313 WeakPolarHBondContact O-CB 3.33Å; F310-L313 PolarHBondContact O-N 3.15Å; F310-I314 HydrophobicContact CD1-CD1 3.87Å; F310-I314 HydrophobicContact CD2-CD1 4.45Å; F310-I314 HydrophobicContact CE1-CD1 3.28Å; F310-I314 HydrophobicContact CE1-CG1 4.38Å; F310-I314 HydrophobicContact CE2-CD1 3.94Å; F310-I314 HydrophobicContact CE2-CG1 4.33Å; F310-I314 HydrophobicContact CG-CD1 4.43Å; F310-I314 HydrophobicContact CZ-CD1 3.35Å; F310-I314 HydrophobicContact CZ-CG1 4.21Å; F310-I314 WeakPolarHBondContact O-CG1 3.48Å; F310-I314 PolarHBondContact O-N 3.16Å
311	L	94.7	Very high	89.8	Confident	104 Å²	104	94.2 Å²	94.2	55%	0.545	51%	0.511	S	S	.	.	H	α-helix	trans	-65.3	-38.4	176.4	-72	173.1	0	0	0	111.9	T307 A308 I314 A315	T307-L311 HydrophobicContact CG2-CD1 4.24Å; T307-L311 WeakPolarHBondContact O-CB 3.29Å; T307-L311 VanDerWaalsContact O-CG 3.3Å; T307-L311 WeakPolarHBondContact O-CG 3.48Å; T307-L311 PolarHBondContact O-N 3.11Å; A308-L311 PolarHBondContact O-N 3.31Å; L311-I314 PolarHBondContact O-N 3.39Å; L311-A315 WeakPolarHBondContact O-CB 3.36Å; L311-A315 PolarHBondContact O-N 3.49Å
312	Q	92	Very high	88.8	Confident	113 Å²	113	95.2 Å²	95.2	53%	0.528	51%	0.51	S	S	.	.	H	α-helix	trans	-65.5	-39.4	174.7	-171	63.3	59.4	0	0	111.6	A308 E309 F310 A315 N316	A308-Q312 WeakPolarHBondContact O-CB 3.5Å; A308-Q312 PolarHBondContact O-N 2.99Å; E309-Q312 PolarHBondContact O-N 3.41Å; F310-Q312 VanDerWaalsContact C-N 3.35Å; Q312-A315 PolarHBondContact O-N 3.29Å; Q312-N316 PolarHBondContact NE2-OD1 3.27Å; Q312-N316 WeakPolarHBondContact O-CB 3.48Å; Q312-N316 PolarHBondContact O-N 3.25Å; Q312-N316 PolarHBondContact O-ND2 3.14Å; Q312-N316 PolarHBondContact O-OD1 2.9Å
313	L	91	Very high	87.4	Confident	100 Å²	100	97.1 Å²	97.1	52%	0.524	52%	0.52	S	S	.	.	H	α-helix	trans	-61.6	-45.9	173.4	179.4	66.9	0	0	0	111.1	E309 F310 N316 R317	E309-L313 WeakPolarHBondContact O-CB 3.31Å; E309-L313 PolarHBondContact O-N 3.27Å; F310-L313 WeakPolarHBondContact O-CB 3.33Å; F310-L313 PolarHBondContact O-N 3.15Å; L313-N316 PolarHBondContact O-N 3.42Å; L313-R317 WeakPolarHBondContact O-CG 3.41Å; L313-R317 PolarHBondContact O-N 3.4Å
314	I	88.5	Confident	85.9	Confident	39 Å²	39	97.3 Å²	97.3	20%	0.2	52%	0.52	C	S	.	.	H	α-helix	trans	-60.7	-45.7	175.7	-71	175	0	0	0	110.7	F310 L311 N316 R317 L318 M324	F310-I314 HydrophobicContact CD1-CD1 3.87Å; F310-I314 HydrophobicContact CD2-CD1 4.45Å; F310-I314 HydrophobicContact CE1-CD1 3.28Å; F310-I314 HydrophobicContact CE1-CG1 4.38Å; F310-I314 HydrophobicContact CE2-CD1 3.94Å; F310-I314 HydrophobicContact CE2-CG1 4.33Å; F310-I314 HydrophobicContact CG-CD1 4.43Å; F310-I314 HydrophobicContact CZ-CD1 3.35Å; F310-I314 HydrophobicContact CZ-CG1 4.21Å; F310-I314 WeakPolarHBondContact O-CG1 3.48Å; F310-I314 PolarHBondContact O-N 3.16Å; L311-I314 PolarHBondContact O-N 3.39Å; I314-N316 PolarHBondContact O-N 3.28Å; I314-R317 PolarHBondContact O-N 3.39Å; I314-L318 HydrophobicContact CG2-CD1 3.79Å; I314-L318 HydrophobicContact CG2-CG 4.3Å; I314-L318 WeakPolarHBondContact O-CB 3.39Å; I314-L318 WeakPolarHBondContact O-CG 3.39Å; I314-L318 PolarHBondContact O-N 3.33Å; I314-M324 HydrophobicContact CD1-CE 4.39Å; I314-M324 HydrophobicContact CG2-CE 4.01Å
315	A	88.2	Confident	84.5	Confident	37 Å²	37	100.4 Å²	100.4	31%	0.306	53%	0.53	S	S	.	.	H	α-helix	trans	-59.8	-46.4	178.4	0	0	0	0	0	111.6	L311 Q312 R317 L318 D319	L311-A315 WeakPolarHBondContact O-CB 3.36Å; L311-A315 PolarHBondContact O-N 3.49Å; Q312-A315 PolarHBondContact O-N 3.29Å; A315-R317 VanDerWaalsContact C-N 3.33Å; A315-R317 PolarHBondContact O-N 3.48Å; A315-L318 PolarHBondContact O-N 3.46Å; A315-D319 PolarHBondContact O-N 3.08Å
316	N	87.4	Confident	82.8	Confident	86 Å²	86	104 Å²	104	46%	0.46	56%	0.563	S	S	.	*	H	α-helix	trans	-63	-36.8	177.6	-67.1	-10.4	0	0	0	112.3	Q312 L313 I314 A320	Q312-N316 PolarHBondContact NE2-OD1 3.27Å; Q312-N316 WeakPolarHBondContact O-CB 3.48Å; Q312-N316 PolarHBondContact O-N 3.25Å; Q312-N316 PolarHBondContact O-ND2 3.14Å; Q312-N316 PolarHBondContact O-OD1 2.9Å; L313-N316 PolarHBondContact O-N 3.42Å; I314-N316 PolarHBondContact O-N 3.28Å; N316-A320 WeakPolarHBondContact O-CB 3.25Å; N316-A320 PolarHBondContact O-N 2.97Å
317	R	84.5	Confident	82.3	Confident	100 Å²	100	102.9 Å²	102.9	38%	0.377	56%	0.562	S	S	.	*	H	α-helix	trans	-71.8	-36.4	176.6	-69.5	-172.5	89.2	-167.6	2.2	112.5	L313 I314 A315 A320 G321 Q322	L313-R317 WeakPolarHBondContact O-CG 3.41Å; L313-R317 PolarHBondContact O-N 3.4Å; I314-R317 PolarHBondContact O-N 3.39Å; A315-R317 VanDerWaalsContact C-N 3.33Å; A315-R317 PolarHBondContact O-N 3.48Å; R317-A320 PolarHBondContact O-N 2.75Å; R317-G321 PolarHBondContact O-N 3.49Å; R317-Q322 PolarHBondContact O-N 2.93Å; R317-Q322 VanDerWaalsContact O-N 3.11Å
318	L	83.5	Confident	81.6	Confident	103 Å²	103	104.9 Å²	104.9	54%	0.539	57%	0.571	S	S	.	*	H	α-helix	trans	-65.1	-43.8	173.6	-75.3	169.3	0	0	0	111.4	I314 A315 A320 G321 M324	I314-L318 HydrophobicContact CG2-CD1 3.79Å; I314-L318 HydrophobicContact CG2-CG 4.3Å; I314-L318 WeakPolarHBondContact O-CB 3.39Å; I314-L318 WeakPolarHBondContact O-CG 3.39Å; I314-L318 PolarHBondContact O-N 3.33Å; A315-L318 PolarHBondContact O-N 3.46Å; L318-A320 VanDerWaalsContact C-N 3.3Å; L318-A320 PolarHBondContact O-N 2.81Å; L318-G321 PolarHBondContact O-N 2.94Å; L318-G321 VanDerWaalsContact O-N 3.15Å; L318-M324 HydrophobicContact CD2-SD 4.46Å
319	D	82.3	Confident	80.9	Confident	147 Å²	147	107.6 Å²	107.6	79%	0.786	58%	0.576	S	S	*	*	H	α-helix	trans	-66.7	-31.6	176.4	-78.4	-16.4	0	0	0	112.3	A315 G321	A315-D319 PolarHBondContact O-N 3.08Å; D319-G321 PolarHBondContact O-N 3Å
320	A	82.3	Confident	80.2	Confident	71 Å²	71	106.4 Å²	106.4	59%	0.587	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-1.2	174.9	0	0	0	0	0	114.1	N316 R317 L318 Q322	N316-A320 WeakPolarHBondContact O-CB 3.25Å; N316-A320 PolarHBondContact O-N 2.97Å; R317-A320 PolarHBondContact O-N 2.75Å; L318-A320 VanDerWaalsContact C-N 3.3Å; L318-A320 PolarHBondContact O-N 2.81Å; A320-Q322 HydrophobicContact CB-CG 4.42Å; A320-Q322 PolarHBondContact O-N 2.65Å
321	G	76	Confident	79.3	Confident	68 Å²	68	105.4 Å²	105.4	70%	0.701	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	64.8	21.8	-178.6	0	0	0	0	0	114.1	R317 L318 D319	R317-G321 PolarHBondContact O-N 3.49Å; L318-G321 PolarHBondContact O-N 2.94Å; L318-G321 VanDerWaalsContact O-N 3.15Å; D319-G321 PolarHBondContact O-N 3Å
322	Q	70.3	Confident	78.3	Confident	110 Å²	110	105.5 Å²	105.5	51%	0.514	58%	0.579	S	S	.	*			trans	-83.3	137.9	176.9	-72.9	-159	-28.2	0	0	111	R317 A320 M324	R317-Q322 PolarHBondContact O-N 2.93Å; R317-Q322 VanDerWaalsContact O-N 3.11Å; A320-Q322 HydrophobicContact CB-CG 4.42Å; A320-Q322 PolarHBondContact O-N 2.65Å; Q322-M324 PolarHBondContact O-N 3.49Å
323	E	64.2	Low	77.3	Confident	166 Å²	166	104.9 Å²	104.9	78%	0.776	58%	0.583	S	S	*	*			trans	-58.9	132.9	173.1	-63.4	-158.6	161.8	0	0	110.6	F325	E323-F325 PolarHBondContact O-N 3.34Å
324	M	62	Low	76.2	Confident	95 Å²	95	105.3 Å²	105.3	47%	0.468	59%	0.588	S	S	.	*	S	Bend	trans	-71	-14	-164.9	-166.4	169.8	165.2	0	0	113.3	I314 L318 Q322	I314-M324 HydrophobicContact CD1-CE 4.39Å; I314-M324 HydrophobicContact CG2-CE 4.01Å; L318-M324 HydrophobicContact CD2-SD 4.46Å; Q322-M324 PolarHBondContact O-N 3.49Å
325	F	64.8	Low	75.2	Confident	156 Å²	156	110.8 Å²	110.8	68%	0.684	62%	0.62	S	S	*	*			trans	-148.5	148.8	175.4	-73.9	-84.5	0	0	0	108.8	E323	E323-F325 PolarHBondContact O-N 3.34Å
326	P	57.2	Low	74	Confident	191 Å²	191	117.5 Å²	117.5	100%	1.24	65%	0.648	S	S	*	*			trans	-63.6	0	171.8	29.6	-35.1	0	0	0	113

Retrieved 326 of 326 residues in 97.8 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).