G4V8N2_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession G4V8N2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 346 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45	Very low	39.2	Very low	244 Å²	244	156.2 Å²	156.2	100%	1.202	86%	0.856	S	S	*	*				0	91.8	0	-78.7	164.6	169.4	0	0	107.7
2	T	38.3	Very low	39	Very low	144 Å²	144	158.9 Å²	158.9	88%	0.883	86%	0.859	S	S	*	*			trans	-92.8	107.9	-169.3	19.5	0	0	0	0	110.1
3	Q	38.7	Very low	39.1	Very low	193 Å²	193	154.6 Å²	154.6	90%	0.902	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-84.1	124	172	-69.9	-174.3	-2.3	0	0	109.6
4	R	37.6	Very low	39.3	Very low	241 Å²	241	150.1 Å²	150.1	91%	0.909	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-73	130.1	178.5	-71.6	177.1	-176.9	165.4	0.5	109.9	T6	R4-T6 PolarHBondContact O-N 3.11Å
5	I	37.4	Very low	39.1	Very low	169 Å²	169	152.1 Å²	152.1	87%	0.867	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-71.4	119	169.3	-62.1	167.8	0	0	0	107.6	S7	I5-S7 PolarHBondContact O-N 3.31Å
6	T	38.8	Very low	39.4	Very low	135 Å²	135	151.4 Å²	151.4	83%	0.828	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-72.1	120.5	176.6	18.9	0	0	0	0	110.4	R4	R4-T6 PolarHBondContact O-N 3.11Å
7	S	40.6	Very low	39	Very low	99 Å²	99	150.3 Å²	150.3	69%	0.692	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-61.3	144.8	172.8	48.2	0	0	0	0	112.4	I5 T9	I5-S7 PolarHBondContact O-N 3.31Å; S7-T9 PolarHBondContact O-N 3.45Å
8	C	32.1	Very low	38.7	Very low	131 Å²	131	144.7 Å²	144.7	89%	0.885	77%	0.773	S	S	*	*			trans	-53.6	106.1	165.9	-65.5	0	0	0	0	110.2	V10	C8-V10 PolarHBondContact O-N 3.13Å
9	T	39.5	Very low	38.5	Very low	128 Å²	128	143.9 Å²	143.9	79%	0.785	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-68.2	119.4	169.9	-49.4	0	0	0	0	108	S7	S7-T9 PolarHBondContact O-N 3.45Å
10	V	40.8	Very low	38.6	Very low	123 Å²	123	140.3 Å²	140.3	75%	0.745	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-56.7	121.6	167	178.7	0	0	0	0	107	C8 E12	C8-V10 PolarHBondContact O-N 3.13Å; V10-E12 PolarHBondContact O-N 2.72Å
11	P	42.8	Very low	38.4	Very low	111 Å²	111	139.1 Å²	139.1	72%	0.721	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-63.6	128.5	175.9	25.1	-29.6	0	0	0	108.3	V13	P11-V13 PolarHBondContact O-N 3.32Å
12	E	36.7	Very low	38.3	Very low	189 Å²	189	133.8 Å²	133.8	88%	0.883	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-48.8	129.8	173.1	-77.1	174.7	142.9	0	0	109.8	V10 P14	V10-E12 PolarHBondContact O-N 2.72Å; E12-P14 WeakPolarHBondContact O-CD 3.4Å
13	V	40.6	Very low	38.4	Very low	103 Å²	103	135 Å²	135	62%	0.624	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-60.5	120.8	-178.2	177.1	0	0	0	0	108.5	P11 E15	P11-V13 PolarHBondContact O-N 3.32Å; V13-E15 PolarHBondContact O-N 2.85Å
14	P	41	Very low	38.3	Very low	91 Å²	91	129.9 Å²	129.9	59%	0.591	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-71.8	118.5	173.6	27.9	-28.9	0	0	0	108	E12 R16	E12-P14 WeakPolarHBondContact O-CD 3.4Å; P14-R16 PolarHBondContact O-N 2.7Å
15	E	37	Very low	38.3	Very low	181 Å²	181	126.3 Å²	126.3	85%	0.846	73%	0.727	S	S	*	*			trans	-56.2	100	168.9	-68.9	-170.6	156.6	0	0	109.1	V13 I17	V13-E15 PolarHBondContact O-N 2.85Å; E15-I17 PolarHBondContact O-N 2.85Å
16	R	43.5	Very low	38.1	Very low	140 Å²	140	127.2 Å²	127.2	53%	0.528	73%	0.727	S	S	.	*			trans	-92	93.5	173.5	-68.4	-165.4	-166	-158.9	1.5	109.1	P14 C18 S56 V57	P14-R16 PolarHBondContact O-N 2.7Å; R16-C18 PolarHBondContact O-N 3.35Å; R16-S56 PolarHBondContact NH1-O 2.92Å; R16-V57 PolarHBondContact NH1-O 3Å
17	I	32.7	Very low	37.8	Very low	133 Å²	133	128.9 Å²	128.9	68%	0.682	73%	0.729	S	S	*	*			trans	-73.2	106.8	170.3	-56.5	169.5	0	0	0	107.5	E15 T19	E15-I17 PolarHBondContact O-N 2.85Å; I17-T19 HydrophobicContact CG2-CG2 3.77Å
18	C	33.8	Very low	37.2	Very low	50 Å²	50	128.4 Å²	128.4	34%	0.338	73%	0.726	S	S	.	*			trans	-115.3	86.3	159.8	-163.2	0	0	0	0	108.3	R16 S20	R16-C18 PolarHBondContact O-N 3.35Å; C18-S20 PolarHBondContact O-N 3.19Å
19	T	34	Very low	37.3	Very low	129 Å²	129	126.9 Å²	126.9	79%	0.791	71%	0.714	S	S	*	*			trans	-86.5	87.6	168.8	52	0	0	0	0	108.4	I17	I17-T19 HydrophobicContact CG2-CG2 3.77Å
20	S	41.3	Very low	36.9	Very low	72 Å²	72	129.7 Å²	129.7	50%	0.503	72%	0.716	S	S	.	*			trans	-140.7	95.8	159.8	70	0	0	0	0	110.6	C18 M22	C18-S20 PolarHBondContact O-N 3.19Å; S20-M22 PolarHBondContact O-N 3.32Å
21	S	35.2	Very low	36.4	Very low	115 Å²	115	129 Å²	129	80%	0.804	71%	0.712	S	S	*	*			trans	-53.9	124.3	163.8	-41.2	0	0	0	0	109.2	D23	S21-D23 VanDerWaalsContact C-N 3.29Å; S21-D23 PolarHBondContact O-N 2.75Å
22	M	42.7	Very low	36.2	Very low	133 Å²	133	131.7 Å²	131.7	66%	0.655	72%	0.72	S	S	*	*	S	Bend	trans	-82.8	15.1	-170.6	-78.3	-143.1	172	0	0	115.6	S20 A24	S20-M22 PolarHBondContact O-N 3.32Å; M22-A24 PolarHBondContact O-N 2.98Å
23	D	39.4	Very low	36.2	Very low	168 Å²	168	128.1 Å²	128.1	90%	0.898	71%	0.712	S	S	*	*	S	Bend	trans	-90.9	5.7	-171.8	-73.6	-34.2	0	0	0	116.1	S21	S21-D23 VanDerWaalsContact C-N 3.29Å; S21-D23 PolarHBondContact O-N 2.75Å
24	A	38	Very low	36.2	Very low	87 Å²	87	128.6 Å²	128.6	72%	0.719	71%	0.71	S	S	*	*			trans	-117.9	2.2	-167.1	0	0	0	0	0	118.2	M22	M22-A24 PolarHBondContact O-N 2.98Å
25	L	37.4	Very low	36.3	Very low	166 Å²	166	128.9 Å²	128.9	87%	0.869	71%	0.714	S	S	*	*			trans	-110	73	-175.9	-68.3	173	0	0	0	112.3
26	Q	31.6	Very low	36.7	Very low	187 Å²	187	127 Å²	127	87%	0.874	71%	0.71	S	S	*	*			trans	-68.1	137.4	150.6	-73.3	-140.3	-33	0	0	109.5	S28	Q26-S28 PolarHBondContact O-N 2.86Å
27	I	32.4	Very low	37	Very low	170 Å²	170	128.1 Å²	128.1	87%	0.872	72%	0.719	S	S	*	*			trans	-61.4	118.1	-176.5	-61.2	150.8	0	0	0	109.3
28	S	29.3	Very low	37.9	Very low	89 Å²	89	124.3 Å²	124.3	62%	0.622	70%	0.699	S	S	*	*			trans	-121.2	126.9	156.2	63.7	0	0	0	0	109.4	Q26	Q26-S28 PolarHBondContact O-N 2.86Å
29	P	34.3	Very low	38.8	Very low	99 Å²	99	125.1 Å²	125.1	64%	0.643	71%	0.71	S	S	*	*			trans	-74.1	145.8	166.6	32.2	-28.7	0	0	0	107.3
30	F	30.2	Very low	40.2	Very low	187 Å²	187	125.5 Å²	125.5	82%	0.82	71%	0.707	S	S	*	*			trans	75	98.6	-177.8	-52.6	-88.2	0	0	0	114.7
31	T	30.9	Very low	41.6	Very low	108 Å²	108	124.5 Å²	124.5	66%	0.663	70%	0.695	S	S	*	*			trans	175.7	135.9	132	36.5	0	0	0	0	110	T33	T31-T33 PolarHBondContact O-N 2.87Å
32	D	37.6	Very low	43.5	Very low	169 Å²	169	119.8 Å²	119.8	90%	0.904	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-63.3	20.1	-174.7	-74.7	-58	0	0	0	116.3
33	T	37.2	Very low	45.5	Very low	114 Å²	114	121.6 Å²	121.6	70%	0.699	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-89.6	-0.8	-174.7	23.2	0	0	0	0	114.5	T31	T31-T33 PolarHBondContact O-N 2.87Å
34	L	40.9	Very low	47.5	Very low	113 Å²	113	117.2 Å²	117.2	59%	0.592	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-85.9	-10.6	-177.9	-154	75.1	0	0	0	114.7	N36 I38	L34-N36 VanDerWaalsContact C-N 3.33Å; L34-N36 PolarHBondContact O-N 3.32Å; L34-I38 HydrophobicContact CD2-CD1 4.08Å; L34-I38 HydrophobicContact CG-CD1 4.09Å; L34-I38 WeakPolarHBondContact O-CD1 3.31Å; L34-I38 WeakPolarHBondContact O-CG1 3.49Å
35	S	43.6	Very low	49.6	Very low	97 Å²	97	116.4 Å²	116.4	68%	0.678	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-27.5	-177.7	-88	0	0	0	0	113.9
36	N	44.2	Very low	51.5	Low	142 Å²	142	115.7 Å²	115.7	76%	0.759	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-15.7	-172.7	-72.3	-18.8	0	0	0	114.8	L34	L34-N36 VanDerWaalsContact C-N 3.33Å; L34-N36 PolarHBondContact O-N 3.32Å
37	K	49.8	Very low	53.7	Low	162 Å²	162	109.6 Å²	109.6	70%	0.704	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-13.9	178.4	-69.5	-171.6	178.6	-177	0	114.1	A39	K37-A39 VanDerWaalsContact C-N 3.31Å
38	I	52.8	Low	55.7	Low	54 Å²	54	110 Å²	110	28%	0.277	58%	0.584	S	S	.	*	S	Bend	trans	-76.9	-22.8	176.2	-68.6	172.3	0	0	0	110.8	L34 D40 I41 C42	L34-I38 HydrophobicContact CD2-CD1 4.08Å; L34-I38 HydrophobicContact CG-CD1 4.09Å; L34-I38 WeakPolarHBondContact O-CD1 3.31Å; L34-I38 WeakPolarHBondContact O-CG1 3.49Å; I38-D40 VanDerWaalsContact C-N 3.35Å; I38-D40 PolarHBondContact O-N 3.35Å; I38-I41 PolarHBondContact O-N 2.98Å; I38-C42 HydrophobicContact CG2-CB 4.32Å; I38-C42 WeakPolarHBondContact CG2-SG 3.38Å; I38-C42 PolarHBondContact O-N 3.43Å; I38-C42 PolarHBondContact O-SG 3.2Å
39	A	52.8	Low	57.9	Low	67 Å²	67	114.5 Å²	114.5	55%	0.554	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-30.8	-178.5	0	0	0	0	0	114.2	K37	K37-A39 VanDerWaalsContact C-N 3.31Å
40	D	61.8	Low	60	Low	136 Å²	136	111.6 Å²	111.6	73%	0.727	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-23.1	-178.7	-65.1	-33	0	0	0	112.7	I38 S56	I38-D40 VanDerWaalsContact C-N 3.35Å; I38-D40 PolarHBondContact O-N 3.35Å; D40-S56 PolarHBondContact O-OG 2.85Å
41	I	72.1	Confident	62.5	Low	52 Å²	52	107.5 Å²	107.5	27%	0.267	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.8	-20.7	-174.1	-55.9	169.7	0	0	0	111.4	I38 S56 I72	I38-I41 PolarHBondContact O-N 2.98Å; I41-S56 WeakPolarHBondContact CA-OG 3.25Å; I41-S56 PolarHBondContact O-N 2.83Å; I41-S56 PolarHBondContact O-OG 2.93Å; I41-S56 VanDerWaalsContact O-OG 3.08Å; I41-I72 HydrophobicContact CG2-CG2 4.35Å
42	C	75.3	Confident	65.1	Low	15 Å²	15	103.2 Å²	103.2	10%	0.101	54%	0.538	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	138.1	-175.1	91	0	0	0	0	113.2	I38 I54 F68	I38-C42 HydrophobicContact CG2-CB 4.32Å; I38-C42 WeakPolarHBondContact CG2-SG 3.38Å; I38-C42 PolarHBondContact O-N 3.43Å; I38-C42 PolarHBondContact O-SG 3.2Å; C42-I54 CarbonylContact C-O 3.59Å; C42-I54 VanDerWaalsContact CA-O 3.29Å; C42-I54 WeakPolarHBondContact CA-O 3.48Å; C42-F68 HydrophobicContact CB-CE1 3.55Å; C42-F68 HydrophobicContact CB-CE2 3.92Å; C42-F68 HydrophobicContact CB-CZ 3.17Å
43	R	83.7	Confident	67.4	Low	172 Å²	172	96.5 Å²	96.5	65%	0.649	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.5	166.5	-179.1	-178.3	176.6	115.6	0.1	107.7	E45 I54	R43-E45 IonicContact NE-OE1 3.74Å; R43-I54 HydrophobicContact CB-CB 4.35Å; R43-I54 PolarHBondContact N-O 3.34Å; R43-I54 WeakPolarHBondContact O-CA 3.49Å; R43-I54 VanDerWaalsContact O-CB 3.31Å; R43-I54 WeakPolarHBondContact O-CB 3.28Å; R43-I54 PolarHBondContact O-N 3.23Å
44	I	81.1	Confident	69.6	Low	75 Å²	75	91.9 Å²	91.9	39%	0.385	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	126.6	-179.8	-54.5	174.6	0	0	0	108.3	E51 V52 Y53	I44-E51 HydrophobicContact CG2-CB 4.47Å; I44-V52 WeakPolarHBondContact CA-O 3.31Å; I44-Y53 HydrophobicContact CD1-CD1 4.15Å; I44-Y53 HydrophobicContact CD1-CE1 3.73Å; I44-Y53 HydrophobicContact CG1-CD1 3.95Å; I44-Y53 HydrophobicContact CG1-CE1 4.04Å
45	E	82.6	Confident	71.8	Confident	71 Å²	71	86.5 Å²	86.5	33%	0.332	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.7	172.6	-70.6	-173.9	172.5	0	0	109.5	R43 V52 I54	R43-E45 IonicContact NE-OE1 3.74Å; E45-V52 HydrophobicContact CB-CB 4.49Å; E45-V52 PolarHBondContact N-O 3.35Å; E45-V52 PolarHBondContact O-N 3.44Å; E45-I54 HydrophobicContact CB-CD1 4.35Å; E45-I54 HydrophobicContact CG-CD1 3.66Å; E45-I54 WeakPolarHBondContact OE1-CD1 3.48Å; E45-I54 WeakPolarHBondContact OE2-CD1 3.47Å
46	H	76.9	Confident	73.6	Confident	150 Å²	150	84 Å²	84	69%	0.694	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	114.1	174.9	-63	175.9	0	0	0	108.9
47	T	77.8	Confident	75.4	Confident	59 Å²	59	78.3 Å²	78.3	36%	0.362	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	162	175.8	71.1	0	0	0	0	109.9	F49 G50 V52	T47-F49 PolarHBondContact O-N 2.85Å; T47-F49 PolarHBondContact OG1-N 3.4Å; T47-G50 PolarHBondContact N-O 2.93Å; T47-G50 PolarHBondContact O-N 2.86Å; T47-G50 PolarHBondContact OG1-N 3.35Å; T47-G50 PolarHBondContact OG1-O 3.2Å; T47-V52 HydrophobicContact CG2-CG2 3.85Å
48	Q	75.1	Confident	76.7	Confident	178 Å²	178	70.8 Å²	70.8	83%	0.832	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-14.3	174.1	68.3	-172.7	5.5	0	0	113.9
49	F	74.5	Confident	78.1	Confident	184 Å²	184	72.2 Å²	72.2	81%	0.807	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	2.2	178.2	-57.8	-72.7	0	0	0	113.4	T47	T47-F49 PolarHBondContact O-N 2.85Å; T47-F49 PolarHBondContact OG1-N 3.4Å
50	G	79.7	Confident	79.5	Confident	38 Å²	38	71.7 Å²	71.7	39%	0.392	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	125.7	-174	179.6	0	0	0	0	0	114.7	T47	T47-G50 PolarHBondContact N-O 2.93Å; T47-G50 PolarHBondContact O-N 2.86Å; T47-G50 PolarHBondContact OG1-N 3.35Å; T47-G50 PolarHBondContact OG1-O 3.2Å
51	E	82	Confident	80.8	Confident	102 Å²	102	72 Å²	72	48%	0.477	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	121.9	177.7	-61.3	178.7	169.1	0	0	111.6	I44 Y53 G64	I44-E51 HydrophobicContact CG2-CB 4.47Å; E51-Y53 HydrophobicContact CB-CE2 3.94Å; E51-Y53 PolarHBondContact OE2-OH 2.94Å; E51-G64 PolarHBondContact O-N 3.44Å
52	V	84.8	Confident	81.4	Confident	18 Å²	18	70 Å²	70	11%	0.109	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120	176	-177.3	0	0	0	0	109.1	I44 E45 T47 I54 K61 C62	I44-V52 WeakPolarHBondContact CA-O 3.31Å; E45-V52 HydrophobicContact CB-CB 4.49Å; E45-V52 PolarHBondContact N-O 3.35Å; E45-V52 PolarHBondContact O-N 3.44Å; T47-V52 HydrophobicContact CG2-CG2 3.85Å; V52-I54 HydrophobicContact CG1-CG1 4.3Å; V52-K61 HydrophobicContact CG1-CB 3.95Å; V52-K61 HydrophobicContact CG1-CG 4.5Å; V52-C62 CarbonylContact C-O 3.6Å; V52-C62 WeakPolarHBondContact CA-O 3.44Å
53	Y	86.2	Confident	81.8	Confident	28 Å²	28	75 Å²	75	11%	0.11	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.9	178.7	-67.5	-105.5	0	0	0	109.1	I44 E51 C62 G64 K65 F68	I44-Y53 HydrophobicContact CD1-CD1 4.15Å; I44-Y53 HydrophobicContact CD1-CE1 3.73Å; I44-Y53 HydrophobicContact CG1-CD1 3.95Å; I44-Y53 HydrophobicContact CG1-CE1 4.04Å; E51-Y53 HydrophobicContact CB-CE2 3.94Å; E51-Y53 PolarHBondContact OE2-OH 2.94Å; Y53-C62 PolarHBondContact N-O 2.9Å; Y53-C62 PolarHBondContact O-N 3.35Å; Y53-G64 VanDerWaalsContact CD2-C 3.4Å; Y53-K65 HydrophobicContact CE2-CB 4.37Å; Y53-F68 HydrophobicContact CD1-CB 4.47Å; Y53-F68 HydrophobicContact CD1-CD1 4.26Å; Y53-F68 HydrophobicContact CD1-CG 4.25Å; Y53-F68 HydrophobicContact CG-CB 4.14Å; Y53-F68 HydrophobicContact CG-CG 4.19Å
54	I	84.7	Confident	81.8	Confident	17 Å²	17	67.9 Å²	67.9	9%	0.087	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.4	-177.5	-51.3	-174.4	0	0	0	108.9	C42 R43 E45 V52 S56 V60 K61	C42-I54 CarbonylContact C-O 3.59Å; C42-I54 VanDerWaalsContact CA-O 3.29Å; C42-I54 WeakPolarHBondContact CA-O 3.48Å; R43-I54 HydrophobicContact CB-CB 4.35Å; R43-I54 PolarHBondContact N-O 3.34Å; R43-I54 WeakPolarHBondContact O-CA 3.49Å; R43-I54 VanDerWaalsContact O-CB 3.31Å; R43-I54 WeakPolarHBondContact O-CB 3.28Å; R43-I54 PolarHBondContact O-N 3.23Å; E45-I54 HydrophobicContact CB-CD1 4.35Å; E45-I54 HydrophobicContact CG-CD1 3.66Å; E45-I54 WeakPolarHBondContact OE1-CD1 3.48Å; E45-I54 WeakPolarHBondContact OE2-CD1 3.47Å; V52-I54 HydrophobicContact CG1-CG1 4.3Å; I54-S56 PolarHBondContact O-N 3.34Å; I54-V60 WeakPolarHBondContact CA-O 3.5Å; I54-K61 HydrophobicContact CD1-CD 4.5Å; I54-K61 HydrophobicContact CD1-CG 4.24Å; I54-K61 HydrophobicContact CG1-CG 4.13Å
55	C	85.9	Confident	81.8	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	123.5	174.8	180	0	0	0	0	110.4	V57 C58 N59 V60 F68 H71 H77	C55-V57 VanDerWaalsContact C-N 3.29Å; C55-V57 PolarHBondContact O-N 2.87Å; C55-V57 PolarHBondContact SG-N 3.27Å; C55-V57 VanDerWaalsContact SG-N 3.42Å; C55-C58 HydrophobicContact CB-CB 4.4Å; C55-C58 PolarHBondContact SG-N 3.15Å; C55-C58 VanDerWaalsContact SG-N 3.41Å; C55-N59 WeakPolarHBondContact O-CA 3.35Å; C55-N59 PolarHBondContact O-N 3.04Å; C55-V60 PolarHBondContact N-O 3.08Å; C55-F68 HydrophobicContact CB-CE2 3.91Å; C55-H71 WeakPolarHBondContact CB-NE2 3.22Å; C55-H71 PolarHBondContact SG-NE2 3.49Å; C55-H77 PolarHBondContact SG-CE1 3.25Å; C55-H77 PolarHBondContact SG-ND1 2.84Å; C55-H77 VanDerWaalsContact SG-ND1 3.38Å
56	S	82.1	Confident	81.8	Confident	45 Å²	45	71.1 Å²	71.1	32%	0.315	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-32.1	177	60.4	0	0	0	0	112.2	R16 D40 I41 I54	R16-S56 PolarHBondContact NH1-O 2.92Å; D40-S56 PolarHBondContact O-OG 2.85Å; I41-S56 WeakPolarHBondContact CA-OG 3.25Å; I41-S56 PolarHBondContact O-N 2.83Å; I41-S56 PolarHBondContact O-OG 2.93Å; I41-S56 VanDerWaalsContact O-OG 3.08Å; I54-S56 PolarHBondContact O-N 3.34Å
57	V	81.4	Confident	82.3	Confident	22 Å²	22	66.4 Å²	66.4	13%	0.133	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-44.6	-178.3	-177.1	0	0	0	0	112.3	R16 C55 N80 C81	R16-V57 PolarHBondContact NH1-O 3Å; C55-V57 VanDerWaalsContact C-N 3.29Å; C55-V57 PolarHBondContact O-N 2.87Å; C55-V57 PolarHBondContact SG-N 3.27Å; C55-V57 VanDerWaalsContact SG-N 3.42Å; V57-N80 HydrophobicContact CG1-CB 3.96Å; V57-N80 WeakPolarHBondContact CG1-O 3.39Å; V57-N80 PolarHBondContact O-ND2 2.8Å; V57-N80 VanDerWaalsContact O-ND2 3.08Å; V57-C81 HydrophobicContact CG1-CB 4.29Å
58	C	77.8	Confident	82.7	Confident	4 Å²	4	64.1 Å²	64.1	3%	0.027	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-5.7	-173.1	-60	0	0	0	0	114	C55 V60	C55-C58 HydrophobicContact CB-CB 4.4Å; C55-C58 PolarHBondContact SG-N 3.15Å; C55-C58 VanDerWaalsContact SG-N 3.41Å; C58-V60 HydrophobicContact CB-CB 4.49Å; C58-V60 HydrophobicContact CB-CG2 3.8Å; C58-V60 PolarHBondContact O-N 3.45Å; C58-V60 VanDerWaalsContact O-N 3.1Å
59	N	82.5	Confident	83	Confident	83 Å²	83	58.5 Å²	58.5	44%	0.444	33%	0.329	S	S	.	.			trans	51.5	27.7	-172	-75.1	-10.6	0	0	0	114.3	C55 N89	C55-N59 WeakPolarHBondContact O-CA 3.35Å; C55-N59 PolarHBondContact O-N 3.04Å; N59-N89 PolarHBondContact ND2-ND2 3.41Å; N59-N89 VanDerWaalsContact ND2-ND2 3.12Å
60	V	82.4	Confident	83.5	Confident	56 Å²	56	56.5 Å²	56.5	34%	0.339	32%	0.322	S	S	.	.			trans	-85.9	130.2	177.7	177.3	0	0	0	0	109.4	I54 C55 C58	I54-V60 WeakPolarHBondContact CA-O 3.5Å; C55-V60 PolarHBondContact N-O 3.08Å; C58-V60 HydrophobicContact CB-CB 4.49Å; C58-V60 HydrophobicContact CB-CG2 3.8Å; C58-V60 PolarHBondContact O-N 3.45Å; C58-V60 VanDerWaalsContact O-N 3.1Å
61	K	88.2	Confident	83.9	Confident	142 Å²	142	56.1 Å²	56.1	62%	0.617	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	124.4	172.9	-58.6	-172.2	179.1	-169.5	0	110	V52 I54	V52-K61 HydrophobicContact CG1-CB 3.95Å; V52-K61 HydrophobicContact CG1-CG 4.5Å; I54-K61 HydrophobicContact CD1-CD 4.5Å; I54-K61 HydrophobicContact CD1-CG 4.24Å; I54-K61 HydrophobicContact CG1-CG 4.13Å
62	C	85.5	Confident	84	Confident	12 Å²	12	54.3 Å²	54.3	8%	0.081	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128	178.1	-63.2	0	0	0	0	109.6	V52 Y53 G64 P67 F68	V52-C62 CarbonylContact C-O 3.6Å; V52-C62 WeakPolarHBondContact CA-O 3.44Å; Y53-C62 PolarHBondContact N-O 2.9Å; Y53-C62 PolarHBondContact O-N 3.35Å; C62-G64 PolarHBondContact O-N 3.21Å; C62-G64 VanDerWaalsContact O-N 3.15Å; C62-P67 HydrophobicContact CB-CB 4.36Å; C62-P67 HydrophobicContact CB-CG 4.34Å; C62-F68 HydrophobicContact CB-CB 3.92Å; C62-F68 HydrophobicContact CB-CD2 4.17Å
63	T	84	Confident	83.9	Confident	120 Å²	120	56.7 Å²	56.7	74%	0.736	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	86.3	175.4	48	0	0	0	0	109.7	P67	T63-P67 VanDerWaalsContact O-CG 3.24Å; T63-P67 WeakPolarHBondContact O-CG 3.47Å
64	G	82.5	Confident	83.8	Confident	22 Å²	22	56.5 Å²	56.5	23%	0.227	33%	0.327	C	S	.	.	S	Bend	trans	107.4	168.3	178	0	0	0	0	0	116	E51 Y53 C62 P67 F68	E51-G64 PolarHBondContact O-N 3.44Å; Y53-G64 VanDerWaalsContact CD2-C 3.4Å; C62-G64 PolarHBondContact O-N 3.21Å; C62-G64 VanDerWaalsContact O-N 3.15Å; G64-P67 WeakPolarHBondContact O-CD 3.19Å; G64-P67 WeakPolarHBondContact O-CG 3.42Å; G64-F68 WeakPolarHBondContact O-CB 3.24Å; G64-F68 PolarHBondContact O-N 3.2Å
65	K	82.1	Confident	83.5	Confident	143 Å²	143	59.8 Å²	59.8	62%	0.622	35%	0.351	S	S	*	.	H	α-helix	trans	-70.7	-37.1	-174.4	-169.7	173.6	-178	176.5	0	114	Y53 F68 S69	Y53-K65 HydrophobicContact CE2-CB 4.37Å; K65-F68 PolarHBondContact O-N 2.77Å; K65-S69 PolarHBondContact O-N 3.47Å; K65-S69 PolarHBondContact O-OG 2.69Å
66	A	82.2	Confident	83.1	Confident	70 Å²	70	63.8 Å²	63.8	58%	0.579	37%	0.37	S	S	*	.	H	α-helix	trans	-64.8	-49.2	179.1	0	0	0	0	0	113.8	F68 S69 Q70	A66-F68 PolarHBondContact O-N 3.14Å; A66-S69 PolarHBondContact O-N 2.92Å; A66-S69 PolarHBondContact O-OG 2.77Å; A66-Q70 PolarHBondContact O-N 3.48Å; A66-Q70 VanDerWaalsContact O-N 3.13Å
67	P	86.1	Confident	83.1	Confident	52 Å²	52	62.1 Å²	62.1	34%	0.338	36%	0.357	S	S	.	.	H	α-helix	trans	-66.7	-30.2	174.9	23.6	-31.8	0	0	0	112	C62 T63 G64 Q70 H71	C62-P67 HydrophobicContact CB-CB 4.36Å; C62-P67 HydrophobicContact CB-CG 4.34Å; T63-P67 VanDerWaalsContact O-CG 3.24Å; T63-P67 WeakPolarHBondContact O-CG 3.47Å; G64-P67 WeakPolarHBondContact O-CD 3.19Å; G64-P67 WeakPolarHBondContact O-CG 3.42Å; P67-Q70 PolarHBondContact O-N 3.28Å; P67-H71 WeakPolarHBondContact O-CB 3.4Å; P67-H71 PolarHBondContact O-N 2.92Å
68	F	86.4	Confident	83.1	Confident	10 Å²	10	67 Å²	67	4%	0.044	37%	0.373	C	S	.	.	H	α-helix	trans	-67.4	-42.8	175	-172.4	-101.2	0	0	0	112.6	C42 Y53 C55 C62 G64 K65 A66 Q70 H71 I72	C42-F68 HydrophobicContact CB-CE1 3.55Å; C42-F68 HydrophobicContact CB-CE2 3.92Å; C42-F68 HydrophobicContact CB-CZ 3.17Å; Y53-F68 HydrophobicContact CD1-CB 4.47Å; Y53-F68 HydrophobicContact CD1-CD1 4.26Å; Y53-F68 HydrophobicContact CD1-CG 4.25Å; Y53-F68 HydrophobicContact CG-CB 4.14Å; Y53-F68 HydrophobicContact CG-CG 4.19Å; C55-F68 HydrophobicContact CB-CE2 3.91Å; C62-F68 HydrophobicContact CB-CB 3.92Å; C62-F68 HydrophobicContact CB-CD2 4.17Å; G64-F68 WeakPolarHBondContact O-CB 3.24Å; G64-F68 PolarHBondContact O-N 3.2Å; K65-F68 PolarHBondContact O-N 2.77Å; A66-F68 PolarHBondContact O-N 3.14Å; F68-Q70 VanDerWaalsContact C-N 3.3Å; F68-Q70 PolarHBondContact O-N 3.4Å; F68-H71 WeakPolarHBondContact O-CB 3.47Å; F68-H71 PolarHBondContact O-N 2.67Å; F68-H71 VanDerWaalsContact O-N 3.15Å; F68-I72 HydrophobicContact CD1-CG2 4.34Å; F68-I72 HydrophobicContact CE1-CG2 3.77Å; F68-I72 HydrophobicContact CE2-CG2 4.35Å; F68-I72 HydrophobicContact CZ-CG2 3.75Å; F68-I72 PolarHBondContact O-N 2.96Å
69	S	82.7	Confident	82.9	Confident	60 Å²	60	72.9 Å²	72.9	42%	0.42	40%	0.398	S	S	.	.	H	α-helix	trans	-64.8	-35.2	176	68.2	0	0	0	0	112.1	K65 A66 I72 S73	K65-S69 PolarHBondContact O-N 3.47Å; K65-S69 PolarHBondContact O-OG 2.69Å; A66-S69 PolarHBondContact O-N 2.92Å; A66-S69 PolarHBondContact O-OG 2.77Å; S69-I72 WeakPolarHBondContact O-CG1 3.5Å; S69-S73 WeakPolarHBondContact O-CB 3.29Å; S69-S73 PolarHBondContact O-N 3.12Å; S69-S73 PolarHBondContact O-OG 3.12Å
70	Q	85.3	Confident	82.4	Confident	143 Å²	143	69.6 Å²	69.6	67%	0.668	38%	0.381	S	S	*	.	H	α-helix	trans	-68.5	-36.9	172.2	-170.4	174.3	0.9	0	0	112.1	A66 P67 F68 S73 G74	A66-Q70 PolarHBondContact O-N 3.48Å; A66-Q70 VanDerWaalsContact O-N 3.13Å; P67-Q70 PolarHBondContact O-N 3.28Å; F68-Q70 VanDerWaalsContact C-N 3.3Å; F68-Q70 PolarHBondContact O-N 3.4Å; Q70-S73 WeakPolarHBondContact CA-OG 3.47Å; Q70-S73 PolarHBondContact O-OG 3.18Å; Q70-S73 VanDerWaalsContact O-OG 3.13Å; Q70-G74 PolarHBondContact O-N 2.8Å; Q70-G74 VanDerWaalsContact O-N 3.07Å
71	H	86.4	Confident	81.9	Confident	30 Å²	30	68 Å²	68	14%	0.139	37%	0.371	C	S	.	.	H	α-helix	trans	-61.4	-52.4	175.1	169	77.8	0	0	0	111.7	C55 P67 F68 S73 G74 H77	C55-H71 WeakPolarHBondContact CB-NE2 3.22Å; C55-H71 PolarHBondContact SG-NE2 3.49Å; P67-H71 WeakPolarHBondContact O-CB 3.4Å; P67-H71 PolarHBondContact O-N 2.92Å; F68-H71 WeakPolarHBondContact O-CB 3.47Å; F68-H71 PolarHBondContact O-N 2.67Å; F68-H71 VanDerWaalsContact O-N 3.15Å; H71-S73 VanDerWaalsContact C-N 3.3Å; H71-S73 PolarHBondContact O-N 3.36Å; H71-G74 PolarHBondContact O-N 3.35Å; H71-G74 VanDerWaalsContact O-N 3.08Å; H71-H77 AromaticContact CD2-ND1 3.82Å; H71-H77 AromaticContact NE2-CG 3.99Å; H71-H77 AromaticContact NE2-ND1 3.27Å; H71-H77 PolarHBondContact NE2-ND1 3.15Å; H71-H77 WeakPolarHBondContact O-CB 3.42Å
72	I	84.5	Confident	81	Confident	64 Å²	64	66 Å²	66	33%	0.328	37%	0.368	S	S	.	.	H	α-helix	trans	-65.5	-32.1	-177.6	62.2	178.3	0	0	0	112.9	I41 F68 S69 G74 H77	I41-I72 HydrophobicContact CG2-CG2 4.35Å; F68-I72 HydrophobicContact CD1-CG2 4.34Å; F68-I72 HydrophobicContact CE1-CG2 3.77Å; F68-I72 HydrophobicContact CE2-CG2 4.35Å; F68-I72 HydrophobicContact CZ-CG2 3.75Å; F68-I72 PolarHBondContact O-N 2.96Å; S69-I72 WeakPolarHBondContact O-CG1 3.5Å; I72-G74 VanDerWaalsContact C-N 3.3Å; I72-H77 PolarHBondContact O-CD2 3.33Å; I72-H77 VanDerWaalsContact O-CD2 3.23Å
73	S	83.3	Confident	79.8	Confident	67 Å²	67	69.4 Å²	69.4	47%	0.469	40%	0.397	S	S	.	.	H	α-helix	trans	-79.4	-16.2	176.3	54.8	0	0	0	0	112.8	S69 Q70 H71 R78	S69-S73 WeakPolarHBondContact O-CB 3.29Å; S69-S73 PolarHBondContact O-N 3.12Å; S69-S73 PolarHBondContact O-OG 3.12Å; Q70-S73 WeakPolarHBondContact CA-OG 3.47Å; Q70-S73 PolarHBondContact O-OG 3.18Å; Q70-S73 VanDerWaalsContact O-OG 3.13Å; H71-S73 VanDerWaalsContact C-N 3.3Å; H71-S73 PolarHBondContact O-N 3.36Å; S73-R78 PolarHBondContact O-NH2 3.32Å; S73-R78 VanDerWaalsContact O-NH2 3.15Å
74	G	83.1	Confident	78.8	Confident	24 Å²	24	69.7 Å²	69.7	25%	0.247	39%	0.394	C	S	.	.	S	Bend	trans	-62	146.5	-178.8	0	0	0	0	0	113.8	Q70 H71 I72 H76 H77 R78	Q70-G74 PolarHBondContact O-N 2.8Å; Q70-G74 VanDerWaalsContact O-N 3.07Å; H71-G74 PolarHBondContact O-N 3.35Å; H71-G74 VanDerWaalsContact O-N 3.08Å; I72-G74 VanDerWaalsContact C-N 3.3Å; G74-H76 PolarHBondContact O-N 3.48Å; G74-H77 PolarHBondContact O-N 2.88Å; G74-R78 PolarHBondContact O-N 2.87Å
75	S	80.2	Confident	78.1	Confident	87 Å²	87	70.2 Å²	70.2	61%	0.608	39%	0.393	S	S	*	.	H	α-helix	trans	-60.5	-29.7	178.6	61.9	0	0	0	0	113	K79	S75-K79 VanDerWaalsContact O-CG 3.3Å; S75-K79 WeakPolarHBondContact O-CG 3.33Å; S75-K79 PolarHBondContact O-N 3.31Å; S75-K79 VanDerWaalsContact O-N 3.12Å
76	H	77.4	Confident	77.6	Confident	83 Å²	83	67.1 Å²	67.1	38%	0.384	38%	0.378	S	S	.	.	H	α-helix	trans	-68.6	-50.2	176.7	-171.6	-83.4	0	0	0	111.8	G74 R78 K79 N80 F87	G74-H76 PolarHBondContact O-N 3.48Å; H76-R78 VanDerWaalsContact C-N 3.31Å; H76-R78 PolarHBondContact O-N 3.16Å; H76-K79 PolarHBondContact O-N 3.42Å; H76-N80 PolarHBondContact O-N 2.87Å; H76-N80 VanDerWaalsContact O-N 3.07Å; H76-F87 AromaticContact CE1-CE2 3.39Å; H76-F87 WeakPolarHBondContact CE1-CE2 3.43Å; H76-F87 AromaticContact CE1-CZ 3.67Å; H76-F87 AromaticContact NE2-CE2 3.62Å
77	H	82.2	Confident	77.3	Confident	10 Å²	10	65 Å²	65	5%	0.046	36%	0.355	C	S	.	.	H	α-helix	trans	-60.1	-43.6	175.8	179.1	90.9	0	0	0	110.9	C55 H71 I72 G74 K79 N80 C81	C55-H77 PolarHBondContact SG-CE1 3.25Å; C55-H77 PolarHBondContact SG-ND1 2.84Å; C55-H77 VanDerWaalsContact SG-ND1 3.38Å; H71-H77 AromaticContact CD2-ND1 3.82Å; H71-H77 AromaticContact NE2-CG 3.99Å; H71-H77 AromaticContact NE2-ND1 3.27Å; H71-H77 PolarHBondContact NE2-ND1 3.15Å; H71-H77 WeakPolarHBondContact O-CB 3.42Å; I72-H77 PolarHBondContact O-CD2 3.33Å; I72-H77 VanDerWaalsContact O-CD2 3.23Å; G74-H77 PolarHBondContact O-N 2.88Å; H77-K79 VanDerWaalsContact C-N 3.32Å; H77-K79 PolarHBondContact O-N 3.31Å; H77-N80 CarbonylContact O-C 3.59Å; H77-N80 WeakPolarHBondContact O-CA 3.46Å; H77-N80 WeakPolarHBondContact O-CB 3.47Å; H77-N80 PolarHBondContact O-N 3.46Å; H77-C81 WeakPolarHBondContact O-CB 3.26Å; H77-C81 PolarHBondContact O-N 3.24Å
78	R	80	Confident	77	Confident	124 Å²	124	62.6 Å²	62.6	47%	0.468	34%	0.34	S	S	.	.	H	α-helix	trans	-57.9	-42.1	178.3	-166	-179.1	-49.6	-129.4	-1.2	113.1	S73 G74 H76 N80 N82	S73-R78 PolarHBondContact O-NH2 3.32Å; S73-R78 VanDerWaalsContact O-NH2 3.15Å; G74-R78 PolarHBondContact O-N 2.87Å; H76-R78 VanDerWaalsContact C-N 3.31Å; H76-R78 PolarHBondContact O-N 3.16Å; R78-N80 VanDerWaalsContact C-N 3.35Å; R78-N82 PolarHBondContact O-N 2.87Å
79	K	74.7	Confident	76.4	Confident	128 Å²	128	65.5 Å²	65.5	56%	0.557	36%	0.356	S	S	*	.	H	α-helix	trans	-63.4	-43.9	174.5	-73.9	174.2	-178.1	-175.1	0	111.2	S75 H76 H77 N82 T85	S75-K79 VanDerWaalsContact O-CG 3.3Å; S75-K79 WeakPolarHBondContact O-CG 3.33Å; S75-K79 PolarHBondContact O-N 3.31Å; S75-K79 VanDerWaalsContact O-N 3.12Å; H76-K79 PolarHBondContact O-N 3.42Å; H77-K79 VanDerWaalsContact C-N 3.32Å; H77-K79 PolarHBondContact O-N 3.31Å; K79-N82 PolarHBondContact O-N 3.25Å; K79-T85 PolarHBondContact O-OG1 3.2Å
80	N	70.7	Confident	76.2	Confident	15 Å²	15	67 Å²	67	8%	0.08	36%	0.356	C	S	.	.	H	α-helix	trans	-70.1	-29.7	-179.4	-130.7	61.6	0	0	0	114.3	V57 H76 H77 R78 N82 F87	V57-N80 HydrophobicContact CG1-CB 3.96Å; V57-N80 WeakPolarHBondContact CG1-O 3.39Å; V57-N80 PolarHBondContact O-ND2 2.8Å; V57-N80 VanDerWaalsContact O-ND2 3.08Å; H76-N80 PolarHBondContact O-N 2.87Å; H76-N80 VanDerWaalsContact O-N 3.07Å; H77-N80 CarbonylContact O-C 3.59Å; H77-N80 WeakPolarHBondContact O-CA 3.46Å; H77-N80 WeakPolarHBondContact O-CB 3.47Å; H77-N80 PolarHBondContact O-N 3.46Å; R78-N80 VanDerWaalsContact C-N 3.35Å; N80-N82 VanDerWaalsContact C-N 3.32Å; N80-F87 WeakPolarHBondContact ND2-CB 3.42Å; N80-F87 WeakPolarHBondContact ND2-CG 3.29Å; N80-F87 WeakPolarHBondContact OD1-CB 3.26Å; N80-F87 WeakPolarHBondContact OD1-CD2 3.33Å; N80-F87 WeakPolarHBondContact OD1-CG 3.14Å
81	C	73	Confident	75.6	Confident	21 Å²	21	61.5 Å²	61.5	14%	0.142	33%	0.333	C	S	.	.	H	α-helix	trans	-79.6	-19.1	-179.1	-163.7	0	0	0	0	111.5	V57 H77 A83	V57-C81 HydrophobicContact CG1-CB 4.29Å; H77-C81 WeakPolarHBondContact O-CB 3.26Å; H77-C81 PolarHBondContact O-N 3.24Å; C81-A83 PolarHBondContact O-N 3.06Å
82	N	68.1	Low	75.1	Confident	101 Å²	101	65.5 Å²	65.5	54%	0.54	36%	0.355	S	S	.	.	S	Bend	trans	-65.7	118	166.7	-80.4	8.3	0	0	0	109	R78 K79 N80 N84 T85	R78-N82 PolarHBondContact O-N 2.87Å; K79-N82 PolarHBondContact O-N 3.25Å; N80-N82 VanDerWaalsContact C-N 3.32Å; N82-N84 PolarHBondContact O-N 2.95Å; N82-T85 PolarHBondContact O-N 3.39Å; N82-T85 VanDerWaalsContact O-N 3.14Å; N82-T85 PolarHBondContact O-OG1 3.44Å
83	A	61.3	Low	74.6	Confident	84 Å²	84	65 Å²	65	69%	0.694	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-2.1	-178.7	0	0	0	0	0	115.4	C81	C81-A83 PolarHBondContact O-N 3.06Å
84	N	62.5	Low	74.3	Confident	125 Å²	125	64 Å²	64	67%	0.668	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	17.3	-177.7	-145.5	65.8	0	0	0	113.3	N82	N82-N84 PolarHBondContact O-N 2.95Å
85	T	67.6	Low	74.2	Confident	34 Å²	34	64.4 Å²	64.4	21%	0.209	35%	0.345	C	S	.	.			trans	-125.7	137	175.2	70.8	0	0	0	0	111.8	K79 N82 L95	K79-T85 PolarHBondContact O-OG1 3.2Å; N82-T85 PolarHBondContact O-N 3.39Å; N82-T85 VanDerWaalsContact O-N 3.14Å; N82-T85 PolarHBondContact O-OG1 3.44Å; T85-L95 CarbonylContact C-O 3.58Å; T85-L95 VanDerWaalsContact CA-O 3.25Å; T85-L95 WeakPolarHBondContact CA-O 3.47Å
86	Y	72.9	Confident	74.1	Confident	78 Å²	78	65.6 Å²	65.6	31%	0.306	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.6	178.9	-63.5	-95.2	0	0	0	108.7	S94 L95 S98 Y101	Y86-S94 CarbonylContact O-C 3.47Å; Y86-L95 PolarHBondContact N-O 3.08Å; Y86-L95 PolarHBondContact O-N 3.5Å; Y86-S98 VanDerWaalsContact CZ-CA 3.42Å; Y86-S98 VanDerWaalsContact CZ-CB 3.41Å; Y86-S98 WeakPolarHBondContact OH-CB 3.44Å; Y86-Y101 HydrophobicContact CD1-CD1 4.43Å; Y86-Y101 HydrophobicContact CD1-CG 4.28Å; Y86-Y101 HydrophobicContact CG-CG 4.25Å
87	F	75.7	Confident	74.1	Confident	25 Å²	25	63.8 Å²	63.8	11%	0.11	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	125.6	-174.9	-175.7	-109.6	0	0	0	112	H76 N80 N89 N92 T93	H76-F87 AromaticContact CE1-CE2 3.39Å; H76-F87 WeakPolarHBondContact CE1-CE2 3.43Å; H76-F87 AromaticContact CE1-CZ 3.67Å; H76-F87 AromaticContact NE2-CE2 3.62Å; N80-F87 WeakPolarHBondContact ND2-CB 3.42Å; N80-F87 WeakPolarHBondContact ND2-CG 3.29Å; N80-F87 WeakPolarHBondContact OD1-CB 3.26Å; N80-F87 WeakPolarHBondContact OD1-CD2 3.33Å; N80-F87 WeakPolarHBondContact OD1-CG 3.14Å; F87-N89 WeakPolarHBondContact CD1-OD1 3.31Å; F87-N89 WeakPolarHBondContact CE1-OD1 3.38Å; F87-N92 HydrophobicContact CZ-CB 4.32Å; F87-T93 WeakPolarHBondContact CA-O 3.28Å
88	C	79.6	Confident	74	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.007	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	113	170.5	179.9	0	0	0	0	109.8	E90 C91 N92 T93 Y101 H104 H110	C88-E90 VanDerWaalsContact C-N 3.34Å; C88-E90 PolarHBondContact O-N 3.33Å; C88-C91 HydrophobicContact CB-CB 4.21Å; C88-C91 PolarHBondContact O-N 3.47Å; C88-C91 PolarHBondContact SG-N 3.24Å; C88-C91 VanDerWaalsContact SG-N 3.37Å; C88-N92 VanDerWaalsContact O-CA 3.23Å; C88-N92 WeakPolarHBondContact O-CA 3.49Å; C88-N92 PolarHBondContact O-N 2.87Å; C88-T93 PolarHBondContact N-O 3.36Å; C88-T93 PolarHBondContact O-N 3.36Å; C88-Y101 HydrophobicContact CB-CE2 3.96Å; C88-H104 WeakPolarHBondContact CB-NE2 3.35Å; C88-H104 PolarHBondContact SG-NE2 2.86Å; C88-H110 PolarHBondContact SG-CE1 3.33Å; C88-H110 PolarHBondContact SG-ND1 2.78Å
89	N	72.6	Confident	74	Confident	71 Å²	71	66.8 Å²	66.8	38%	0.38	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-37	176.7	-67.9	-20.6	0	0	0	112.6	N59 F87 C91 N92	N59-N89 PolarHBondContact ND2-ND2 3.41Å; N59-N89 VanDerWaalsContact ND2-ND2 3.12Å; F87-N89 WeakPolarHBondContact CD1-OD1 3.31Å; F87-N89 WeakPolarHBondContact CE1-OD1 3.38Å; N89-C91 VanDerWaalsContact C-N 3.33Å; N89-C91 PolarHBondContact O-N 3.43Å; N89-N92 PolarHBondContact O-OD1 3.39Å
90	E	78.2	Confident	74.3	Confident	93 Å²	93	65.6 Å²	65.6	44%	0.435	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-26.7	-175.7	-63.5	169.3	135.2	0	0	112.4	C88 H110 T114	C88-E90 VanDerWaalsContact C-N 3.34Å; C88-E90 PolarHBondContact O-N 3.33Å; E90-H110 IonicContact OE2-CE1 4Å; E90-H110 PolarHBondContact OE2-CE1 2.98Å; E90-H110 IonicContact OE2-ND1 3.13Å; E90-H110 IonicContact OE2-NE2 3.87Å; E90-H110 PolarHBondContact OE2-NE2 2.65Å; E90-H110 VanDerWaalsContact OE2-NE2 3.13Å; E90-T114 VanDerWaalsContact OE1-CG2 3.28Å; E90-T114 WeakPolarHBondContact OE1-CG2 3.23Å; E90-T114 WeakPolarHBondContact OE2-CG2 3.4Å
91	C	73.7	Confident	74.8	Confident	27 Å²	27	68.4 Å²	68.4	18%	0.182	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	0.8	179.2	-64.1	0	0	0	0	113.3	C88 N89 T93 H104	C88-C91 HydrophobicContact CB-CB 4.21Å; C88-C91 PolarHBondContact O-N 3.47Å; C88-C91 PolarHBondContact SG-N 3.24Å; C88-C91 VanDerWaalsContact SG-N 3.37Å; N89-C91 VanDerWaalsContact C-N 3.33Å; N89-C91 PolarHBondContact O-N 3.43Å; C91-T93 PolarHBondContact O-N 3.1Å; C91-T93 VanDerWaalsContact O-N 3.17Å; C91-T93 PolarHBondContact O-OG1 3.24Å; C91-H104 VanDerWaalsContact CB-CE1 3.49Å; C91-H104 WeakPolarHBondContact CB-CE1 3.45Å; C91-H104 WeakPolarHBondContact CB-NE2 3.39Å
92	N	76.1	Confident	75.2	Confident	113 Å²	113	70.1 Å²	70.1	60%	0.604	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.8	46.5	-173.7	-68.6	-49.2	0	0	0	113.4	F87 C88 N89	F87-N92 HydrophobicContact CZ-CB 4.32Å; C88-N92 VanDerWaalsContact O-CA 3.23Å; C88-N92 WeakPolarHBondContact O-CA 3.49Å; C88-N92 PolarHBondContact O-N 2.87Å; N89-N92 PolarHBondContact O-OD1 3.39Å
93	T	73.3	Confident	76	Confident	55 Å²	55	70.6 Å²	70.6	34%	0.337	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.9	-174.3	-59.5	0	0	0	0	110.7	F87 C88 C91 L95	F87-T93 WeakPolarHBondContact CA-O 3.28Å; C88-T93 PolarHBondContact N-O 3.36Å; C88-T93 PolarHBondContact O-N 3.36Å; C91-T93 PolarHBondContact O-N 3.1Å; C91-T93 VanDerWaalsContact O-N 3.17Å; C91-T93 PolarHBondContact O-OG1 3.24Å; T93-L95 HydrophobicContact CG2-CD2 4.1Å; T93-L95 HydrophobicContact CG2-CG 4.27Å
94	S	77.6	Confident	77.1	Confident	45 Å²	45	68.7 Å²	68.7	32%	0.315	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	129.7	171.4	61.3	0	0	0	0	110.8	Y86	Y86-S94 CarbonylContact O-C 3.47Å
95	L	80	Confident	78	Confident	32 Å²	32	63.9 Å²	63.9	17%	0.168	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	151	180	-62.6	168.4	0	0	0	109.5	T85 Y86 T93 Q100 Y101 H104	T85-L95 CarbonylContact C-O 3.58Å; T85-L95 VanDerWaalsContact CA-O 3.25Å; T85-L95 WeakPolarHBondContact CA-O 3.47Å; Y86-L95 PolarHBondContact N-O 3.08Å; Y86-L95 PolarHBondContact O-N 3.5Å; T93-L95 HydrophobicContact CG2-CD2 4.1Å; T93-L95 HydrophobicContact CG2-CG 4.27Å; L95-Q100 HydrophobicContact CB-CB 4.44Å; L95-Y101 HydrophobicContact CD1-CD2 4.14Å; L95-H104 HydrophobicContact CD1-CB 3.33Å
96	N	78.4	Confident	78.7	Confident	113 Å²	113	66.2 Å²	66.2	60%	0.604	36%	0.36	S	S	*	.	S	Bend	trans	-97.7	-3.5	-170.1	-63.8	-27.3	0	0	0	113.6
97	S	78.5	Confident	79.2	Confident	45 Å²	45	63.7 Å²	63.7	32%	0.315	36%	0.358	S	S	.	.	S	Bend	trans	-143	145.4	-177.4	168.8	0	0	0	0	111	E99 Q100 Y101	S97-E99 PolarHBondContact O-N 3.27Å; S97-E99 PolarHBondContact OG-N 2.95Å; S97-Q100 PolarHBondContact O-N 3.01Å; S97-Y101 PolarHBondContact O-N 3.38Å
98	S	79.2	Confident	79.2	Confident	54 Å²	54	67 Å²	67	38%	0.378	39%	0.385	S	S	.	.	H	α-helix	trans	-58	-41.4	176.5	-165.9	0	0	0	0	111	Y86 Y101 A102	Y86-S98 VanDerWaalsContact CZ-CA 3.42Å; Y86-S98 VanDerWaalsContact CZ-CB 3.41Å; Y86-S98 WeakPolarHBondContact OH-CB 3.44Å; S98-Y101 WeakPolarHBondContact O-CB 3.24Å; S98-Y101 PolarHBondContact O-N 2.91Å; S98-A102 PolarHBondContact O-N 3.4Å
99	E	79.9	Confident	79.2	Confident	143 Å²	143	75.4 Å²	75.4	67%	0.668	42%	0.421	S	S	*	.	H	α-helix	trans	-67.6	-40.6	-179.4	-171.2	173.3	-168.2	0	0	111.1	S97 Y101 A102 L103	S97-E99 PolarHBondContact O-N 3.27Å; S97-E99 PolarHBondContact OG-N 2.95Å; E99-Y101 VanDerWaalsContact C-N 3.27Å; E99-Y101 PolarHBondContact O-N 3.06Å; E99-A102 PolarHBondContact O-N 2.06Å; E99-L103 HydrophobicContact CG-CD1 4.34Å; E99-L103 WeakPolarHBondContact O-CB 3.31Å; E99-L103 VanDerWaalsContact O-CG 3.27Å; E99-L103 WeakPolarHBondContact O-CG 3.26Å; E99-L103 PolarHBondContact O-N 3.38Å
100	Q	80.8	Confident	79.6	Confident	102 Å²	102	72.5 Å²	72.5	48%	0.477	41%	0.405	S	S	.	.	H	α-helix	trans	-63.5	-36	173.4	-70	179.5	-18.1	0	0	111.6	L95 S97 H104	L95-Q100 HydrophobicContact CB-CB 4.44Å; S97-Q100 PolarHBondContact O-N 3.01Å; Q100-H104 VanDerWaalsContact O-CB 3.22Å; Q100-H104 WeakPolarHBondContact O-CB 3.48Å; Q100-H104 PolarHBondContact O-N 3.45Å
101	Y	81.2	Confident	79.4	Confident	75 Å²	75	71.9 Å²	71.9	29%	0.294	40%	0.403	S	S	.	.	H	α-helix	trans	-68.1	-45.5	175.2	-177.8	-98.7	0	0	0	112.5	Y86 C88 L95 S97 S98 E99 L103 H104 C105	Y86-Y101 HydrophobicContact CD1-CD1 4.43Å; Y86-Y101 HydrophobicContact CD1-CG 4.28Å; Y86-Y101 HydrophobicContact CG-CG 4.25Å; C88-Y101 HydrophobicContact CB-CE2 3.96Å; L95-Y101 HydrophobicContact CD1-CD2 4.14Å; S97-Y101 PolarHBondContact O-N 3.38Å; S98-Y101 WeakPolarHBondContact O-CB 3.24Å; S98-Y101 PolarHBondContact O-N 2.91Å; E99-Y101 VanDerWaalsContact C-N 3.27Å; E99-Y101 PolarHBondContact O-N 3.06Å; Y101-L103 VanDerWaalsContact C-N 3.34Å; Y101-L103 PolarHBondContact O-N 3.07Å; Y101-H104 WeakPolarHBondContact O-CB 3.43Å; Y101-H104 PolarHBondContact O-N 3.35Å; Y101-H104 VanDerWaalsContact O-N 3.16Å; Y101-C105 VanDerWaalsContact CZ-SG 3.52Å; Y101-C105 PolarHBondContact O-N 2.86Å; Y101-C105 PolarHBondContact O-SG 3.26Å
102	A	81.5	Confident	79.4	Confident	56 Å²	56	78.9 Å²	78.9	46%	0.463	43%	0.426	S	S	.	.	H	α-helix	trans	-61.1	-42.2	174.9	0	0	0	0	0	111.9	S98 E99 C105 S106	S98-A102 PolarHBondContact O-N 3.4Å; E99-A102 PolarHBondContact O-N 2.06Å; A102-C105 PolarHBondContact O-N 3.48Å; A102-S106 WeakPolarHBondContact O-CB 3.34Å; A102-S106 PolarHBondContact O-N 2.91Å; A102-S106 PolarHBondContact O-OG 2.83Å
103	L	84.5	Confident	78.8	Confident	112 Å²	112	77 Å²	77	59%	0.586	42%	0.416	S	S	*	.	H	α-helix	trans	-65.8	-36.5	174	-71.9	172.2	0	0	0	112.4	E99 Y101 S106 G107	E99-L103 HydrophobicContact CG-CD1 4.34Å; E99-L103 WeakPolarHBondContact O-CB 3.31Å; E99-L103 VanDerWaalsContact O-CG 3.27Å; E99-L103 WeakPolarHBondContact O-CG 3.26Å; E99-L103 PolarHBondContact O-N 3.38Å; Y101-L103 VanDerWaalsContact C-N 3.34Å; Y101-L103 PolarHBondContact O-N 3.07Å; L103-S106 WeakPolarHBondContact CA-OG 3.19Å; L103-S106 PolarHBondContact O-OG 2.72Å; L103-G107 PolarHBondContact O-N 3.22Å
104	H	85.7	Confident	78.3	Confident	43 Å²	43	75.6 Å²	75.6	20%	0.199	41%	0.407	C	S	.	.	H	α-helix	trans	-63.8	-49.7	173.6	167.8	85.3	0	0	0	111.4	C88 C91 L95 Q100 Y101 G107 H110	C88-H104 WeakPolarHBondContact CB-NE2 3.35Å; C88-H104 PolarHBondContact SG-NE2 2.86Å; C91-H104 VanDerWaalsContact CB-CE1 3.49Å; C91-H104 WeakPolarHBondContact CB-CE1 3.45Å; C91-H104 WeakPolarHBondContact CB-NE2 3.39Å; L95-H104 HydrophobicContact CD1-CB 3.33Å; Q100-H104 VanDerWaalsContact O-CB 3.22Å; Q100-H104 WeakPolarHBondContact O-CB 3.48Å; Q100-H104 PolarHBondContact O-N 3.45Å; Y101-H104 WeakPolarHBondContact O-CB 3.43Å; Y101-H104 PolarHBondContact O-N 3.35Å; Y101-H104 VanDerWaalsContact O-N 3.16Å; H104-G107 PolarHBondContact O-N 3.45Å; H104-G107 VanDerWaalsContact O-N 3.07Å; H104-H110 AromaticContact CD2-ND1 3.79Å; H104-H110 AromaticContact NE2-ND1 3.42Å; H104-H110 PolarHBondContact NE2-ND1 3.32Å; H104-H110 WeakPolarHBondContact O-CB 3.33Å
105	C	81.2	Confident	77.4	Confident	25 Å²	25	80 Å²	80	17%	0.169	43%	0.426	C	S	.	.	H	α-helix	trans	-66	-38.3	-179.3	-65.3	0	0	0	0	111.9	Y101 A102 G107 H110 M111	Y101-C105 VanDerWaalsContact CZ-SG 3.52Å; Y101-C105 PolarHBondContact O-N 2.86Å; Y101-C105 PolarHBondContact O-SG 3.26Å; A102-C105 PolarHBondContact O-N 3.48Å; C105-G107 PolarHBondContact O-N 2.97Å; C105-H110 VanDerWaalsContact CA-CD2 3.48Å; C105-H110 WeakPolarHBondContact CA-CD2 3.24Å; C105-H110 PolarHBondContact O-CD2 3.46Å; C105-M111 WeakPolarHBondContact O-CE 2.86Å
106	S	82.5	Confident	76.1	Confident	82 Å²	82	83.4 Å²	83.4	57%	0.573	45%	0.452	S	S	*	.	H	α-helix	trans	-74.8	-10.7	173.1	56.7	0	0	0	0	113.8	A102 L103	A102-S106 WeakPolarHBondContact O-CB 3.34Å; A102-S106 PolarHBondContact O-N 2.91Å; A102-S106 PolarHBondContact O-OG 2.83Å; L103-S106 WeakPolarHBondContact CA-OG 3.19Å; L103-S106 PolarHBondContact O-OG 2.72Å
107	G	82.5	Confident	75	Confident	25 Å²	25	82.4 Å²	82.4	26%	0.258	45%	0.454	S	S	.	.	S	Bend	trans	-70.4	142.4	-179.9	0	0	0	0	0	113.1	L103 H104 C105 K109 H110 M111	L103-G107 PolarHBondContact O-N 3.22Å; H104-G107 PolarHBondContact O-N 3.45Å; H104-G107 VanDerWaalsContact O-N 3.07Å; C105-G107 PolarHBondContact O-N 2.97Å; G107-K109 PolarHBondContact O-N 3.08Å; G107-H110 PolarHBondContact O-N 3.01Å; G107-M111 PolarHBondContact O-N 2.87Å
108	S	75.9	Confident	73.4	Confident	96 Å²	96	85.2 Å²	85.2	67%	0.671	47%	0.466	S	S	*	.	H	α-helix	trans	-57.7	-24.7	-179.2	-45.2	0	0	0	0	114.3	R112	S108-R112 WeakPolarHBondContact O-CB 3.46Å; S108-R112 PolarHBondContact O-N 2.87Å
109	K	79.2	Confident	71.7	Confident	176 Å²	176	90.4 Å²	90.4	77%	0.765	49%	0.489	S	S	*	.	H	α-helix	trans	-69.9	-41.5	176.4	-70.2	-176	179.7	179.4	0	112.2	G107	G107-K109 PolarHBondContact O-N 3.08Å
110	H	81.3	Confident	69.9	Low	11 Å²	11	87.6 Å²	87.6	5%	0.051	49%	0.485	C	S	.	.	H	α-helix	trans	-71.1	-49.6	178.3	174.7	96.2	0	0	0	110.3	C88 E90 H104 C105 G107 R112 N113 T114	C88-H110 PolarHBondContact SG-CE1 3.33Å; C88-H110 PolarHBondContact SG-ND1 2.78Å; E90-H110 IonicContact OE2-CE1 4Å; E90-H110 PolarHBondContact OE2-CE1 2.98Å; E90-H110 IonicContact OE2-ND1 3.13Å; E90-H110 IonicContact OE2-NE2 3.87Å; E90-H110 PolarHBondContact OE2-NE2 2.65Å; E90-H110 VanDerWaalsContact OE2-NE2 3.13Å; H104-H110 AromaticContact CD2-ND1 3.79Å; H104-H110 AromaticContact NE2-ND1 3.42Å; H104-H110 PolarHBondContact NE2-ND1 3.32Å; H104-H110 WeakPolarHBondContact O-CB 3.33Å; C105-H110 VanDerWaalsContact CA-CD2 3.48Å; C105-H110 WeakPolarHBondContact CA-CD2 3.24Å; C105-H110 PolarHBondContact O-CD2 3.46Å; G107-H110 PolarHBondContact O-N 3.01Å; H110-R112 PolarHBondContact O-N 2.88Å; H110-R112 VanDerWaalsContact O-N 3.14Å; H110-N113 WeakPolarHBondContact O-CA 3.26Å; H110-N113 WeakPolarHBondContact O-CB 3.27Å; H110-N113 PolarHBondContact O-N 3.38Å; H110-T114 WeakPolarHBondContact NE2-CG2 3.45Å; H110-T114 VanDerWaalsContact O-CG2 3.28Å; H110-T114 WeakPolarHBondContact O-CG2 3.24Å; H110-T114 PolarHBondContact O-N 3.19Å
111	M	75	Confident	68.5	Low	80 Å²	80	90.1 Å²	90.1	39%	0.394	50%	0.5	S	S	.	.	H	α-helix	trans	-55.5	-34.4	177.7	-68.7	-75.5	100	0	0	113.8	C105 G107 N113 T114 I115	C105-M111 WeakPolarHBondContact O-CE 2.86Å; G107-M111 PolarHBondContact O-N 2.87Å; M111-N113 VanDerWaalsContact C-N 3.3Å; M111-N113 PolarHBondContact O-N 3.5Å; M111-T114 HydrophobicContact CE-CG2 4.21Å; M111-T114 PolarHBondContact O-N 3.47Å; M111-T114 PolarHBondContact O-OG1 3.27Å; M111-T114 VanDerWaalsContact O-OG1 3.09Å; M111-I115 VanDerWaalsContact O-CD1 3.28Å; M111-I115 WeakPolarHBondContact O-CD1 3.34Å; M111-I115 WeakPolarHBondContact O-CG1 3.4Å; M111-I115 PolarHBondContact O-N 2.94Å
112	R	72.7	Confident	66.5	Low	173 Å²	173	92.1 Å²	92.1	65%	0.653	52%	0.523	S	S	*	.	H	α-helix	trans	-65.7	-33.6	174.8	-173.5	177.8	-67.9	145.3	-1.3	112.6	S108 H110 S116	S108-R112 WeakPolarHBondContact O-CB 3.46Å; S108-R112 PolarHBondContact O-N 2.87Å; H110-R112 PolarHBondContact O-N 2.88Å; H110-R112 VanDerWaalsContact O-N 3.14Å; R112-S116 PolarHBondContact O-OG 3.36Å; R112-S116 VanDerWaalsContact O-OG 3.07Å
113	N	62.7	Low	64.3	Low	75 Å²	75	98.3 Å²	98.3	40%	0.401	54%	0.542	S	S	.	.	H	α-helix	trans	-80	-32	179.8	-66.3	-5.4	0	0	0	111.9	H110 M111 S117	H110-N113 WeakPolarHBondContact O-CA 3.26Å; H110-N113 WeakPolarHBondContact O-CB 3.27Å; H110-N113 PolarHBondContact O-N 3.38Å; M111-N113 VanDerWaalsContact C-N 3.3Å; M111-N113 PolarHBondContact O-N 3.5Å; N113-S117 PolarHBondContact O-OG 3.15Å; N113-S117 VanDerWaalsContact O-OG 3.05Å
114	T	63.7	Low	62.3	Low	24 Å²	24	101.1 Å²	101.1	15%	0.147	55%	0.552	C	S	.	*	H	α-helix	trans	-72.8	-43.7	179.7	68.9	0	0	0	0	112.4	E90 H110 M111 S116 S117	E90-T114 VanDerWaalsContact OE1-CG2 3.28Å; E90-T114 WeakPolarHBondContact OE1-CG2 3.23Å; E90-T114 WeakPolarHBondContact OE2-CG2 3.4Å; H110-T114 WeakPolarHBondContact NE2-CG2 3.45Å; H110-T114 VanDerWaalsContact O-CG2 3.28Å; H110-T114 WeakPolarHBondContact O-CG2 3.24Å; H110-T114 PolarHBondContact O-N 3.19Å; M111-T114 HydrophobicContact CE-CG2 4.21Å; M111-T114 PolarHBondContact O-N 3.47Å; M111-T114 PolarHBondContact O-OG1 3.27Å; M111-T114 VanDerWaalsContact O-OG1 3.09Å; T114-S116 PolarHBondContact O-N 3.02Å; T114-S116 VanDerWaalsContact O-N 3.08Å; T114-S117 PolarHBondContact O-N 3.14Å
115	I	58.5	Low	60	Low	138 Å²	138	106.7 Å²	106.7	71%	0.708	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-22.1	179.8	-64.3	165.2	0	0	0	112.2	M111	M111-I115 VanDerWaalsContact O-CD1 3.28Å; M111-I115 WeakPolarHBondContact O-CD1 3.34Å; M111-I115 WeakPolarHBondContact O-CG1 3.4Å; M111-I115 PolarHBondContact O-N 2.94Å
116	S	53.3	Low	57.5	Low	103 Å²	103	109.3 Å²	109.3	72%	0.72	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-11.7	-179.8	-55.1	0	0	0	0	113.7	R112 T114	R112-S116 PolarHBondContact O-OG 3.36Å; R112-S116 VanDerWaalsContact O-OG 3.07Å; T114-S116 PolarHBondContact O-N 3.02Å; T114-S116 VanDerWaalsContact O-N 3.08Å
117	S	55.7	Low	55.4	Low	92 Å²	92	112.1 Å²	112.1	64%	0.643	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.2	-11.7	-166.8	-52.9	0	0	0	0	114.9	N113 T114	N113-S117 PolarHBondContact O-OG 3.15Å; N113-S117 VanDerWaalsContact O-OG 3.05Å; T114-S117 PolarHBondContact O-N 3.14Å
118	D	44.7	Very low	53	Low	105 Å²	105	119.6 Å²	119.6	56%	0.561	66%	0.655	S	S	*	*			trans	-99	93.8	-175.3	-156.5	-10	0	0	0	112.6	S120	D118-S120 VanDerWaalsContact C-N 3.3Å; D118-S120 PolarHBondContact O-N 2.8Å; D118-S120 PolarHBondContact OD1-N 3.31Å; D118-S120 PolarHBondContact OD1-OG 3.19Å
119	N	42.7	Very low	51.3	Low	162 Å²	162	122.7 Å²	122.7	87%	0.866	66%	0.659	S	S	*	*			trans	-92.3	53.9	168.4	-87.1	-38	0	0	0	110.5
120	S	43	Very low	49.2	Very low	85 Å²	85	123.2 Å²	123.2	59%	0.594	66%	0.664	S	S	*	*			trans	-149.5	73.4	176	13.2	0	0	0	0	111.1	D118 P122	D118-S120 VanDerWaalsContact C-N 3.3Å; D118-S120 PolarHBondContact O-N 2.8Å; D118-S120 PolarHBondContact OD1-N 3.31Å; D118-S120 PolarHBondContact OD1-OG 3.19Å; S120-P122 WeakPolarHBondContact O-CD 3.45Å
121	I	50.6	Low	47.3	Very low	154 Å²	154	130.1 Å²	130.1	79%	0.79	70%	0.695	S	S	*	*			trans	-99.7	115.7	170	-54.4	176	0	0	0	108.7	E123	I121-E123 PolarHBondContact O-N 2.97Å
122	P	40.5	Very low	45.3	Very low	117 Å²	117	133.3 Å²	133.3	76%	0.76	71%	0.713	S	S	*	*			trans	-65.3	127.2	162.9	-13.8	28.6	0	0	0	109.9	S120 Q124	S120-P122 WeakPolarHBondContact O-CD 3.45Å; P122-Q124 PolarHBondContact O-N 3Å
123	E	34.7	Very low	43.5	Very low	187 Å²	187	134.9 Å²	134.9	87%	0.874	73%	0.725	S	S	*	*			trans	-59.8	109.1	174.8	-177.1	167.9	-160.1	0	0	111.4	I121	I121-E123 PolarHBondContact O-N 2.97Å
124	Q	42.5	Very low	42.5	Very low	171 Å²	171	136.2 Å²	136.2	80%	0.799	74%	0.74	S	S	*	*			trans	-175.9	127.2	145.2	-105.9	171.9	-30.5	0	0	114.4	P122	P122-Q124 PolarHBondContact O-N 3Å
125	L	37.9	Very low	41.6	Very low	160 Å²	160	142.3 Å²	142.3	84%	0.838	77%	0.772	S	S	*	*			trans	80	119.6	147.5	-62.7	156	0	0	0	118.6
126	G	28.5	Very low	41.3	Very low	80 Å²	80	142.6 Å²	142.6	83%	0.825	78%	0.775	S	S	*	*			trans	-72.1	140.1	-170.4	0	0	0	0	0	114.7
127	V	37.9	Very low	41.5	Very low	140 Å²	140	140.7 Å²	140.7	85%	0.848	76%	0.758	S	S	*	*			trans	-138.5	128.2	159.3	179.3	0	0	0	0	107
128	E	33	Very low	42.2	Very low	182 Å²	182	140.1 Å²	140.1	85%	0.85	75%	0.753	S	S	*	*			trans	-49.5	131.8	-178.3	-76.2	163.2	89.2	0	0	113	Q130	E128-Q130 PolarHBondContact O-N 3.08Å
129	Q	38.7	Very low	44	Very low	162 Å²	162	138.7 Å²	138.7	76%	0.757	74%	0.74	S	S	*	*			trans	-69.3	97.4	169.5	-65.8	171	2.2	0	0	109.3	F131	Q129-F131 HydrophobicContact CB-CD2 3.93Å; Q129-F131 HydrophobicContact CB-CE2 4.35Å; Q129-F131 PolarHBondContact O-N 3.24Å
130	Q	35	Very low	46	Very low	186 Å²	186	136.1 Å²	136.1	87%	0.869	72%	0.721	S	S	*	*			trans	-70.7	80.5	155.8	-77.9	-178.5	-5.3	0	0	108.7	E128 N132	E128-Q130 PolarHBondContact O-N 3.08Å; Q130-N132 PolarHBondContact O-N 3.37Å
131	F	41.7	Very low	48	Very low	157 Å²	157	132.1 Å²	132.1	69%	0.689	69%	0.693	S	S	*	*			trans	-67.5	111.1	159.9	-98.7	-90.3	0	0	0	107.8	Q129 K133	Q129-F131 HydrophobicContact CB-CD2 3.93Å; Q129-F131 HydrophobicContact CB-CE2 4.35Å; Q129-F131 PolarHBondContact O-N 3.24Å; F131-K133 PolarHBondContact O-N 3.45Å
132	N	32.8	Very low	49.4	Very low	147 Å²	147	129.4 Å²	129.4	79%	0.786	68%	0.679	S	S	*	*			trans	-57.2	103.2	162.4	-82.7	-21.7	0	0	0	108.5	Q130 S134	Q130-N132 PolarHBondContact O-N 3.37Å; N132-S134 VanDerWaalsContact C-N 3.27Å; N132-S134 PolarHBondContact O-N 2.93Å
133	K	35.8	Very low	51.5	Low	206 Å²	206	125.5 Å²	125.5	90%	0.896	65%	0.654	S	S	*	*	S	Bend	trans	-58	87.5	163.4	-83.3	173.1	172.6	172.4	0	108.9	F131	F131-K133 PolarHBondContact O-N 3.45Å
134	S	41.2	Very low	53.7	Low	103 Å²	103	117.9 Å²	117.9	72%	0.72	62%	0.621	S	S	*	*			trans	-165.8	62.4	160.8	-87.4	0	0	0	0	111.1	N132	N132-S134 VanDerWaalsContact C-N 3.27Å; N132-S134 PolarHBondContact O-N 2.93Å
135	N	45.5	Very low	55.7	Low	151 Å²	151	112.2 Å²	112.2	81%	0.807	61%	0.608	S	S	*	*			trans	-121.8	40.5	166.9	-79.7	-25.7	0	0	0	111.2	V137	N135-V137 PolarHBondContact O-N 3.18Å
136	N	51.2	Low	57.8	Low	145 Å²	145	108.7 Å²	108.7	78%	0.775	59%	0.59	S	S	*	*			trans	-81.5	69.6	164.5	-162.5	-28.4	0	0	0	108.3	P138	N136-P138 VanDerWaalsContact C-CD 3.46Å; N136-P138 VanDerWaalsContact O-CD 3.3Å; N136-P138 WeakPolarHBondContact O-CD 2.77Å
137	V	57.8	Low	60.4	Low	62 Å²	62	108.9 Å²	108.9	38%	0.376	58%	0.579	S	S	.	*			trans	-110.6	86.9	168.3	-163.7	0	0	0	0	107	N135 Y139 C148	N135-V137 PolarHBondContact O-N 3.18Å; V137-Y139 PolarHBondContact O-N 3.32Å; V137-Y139 VanDerWaalsContact O-N 3.1Å; V137-C148 WeakPolarHBondContact CG1-O 3.41Å
138	P	70.8	Confident	62.5	Low	81 Å²	81	102.8 Å²	102.8	53%	0.526	54%	0.542	S	S	.	.			trans	-69.5	-5.6	-171.9	20.8	-26.8	0	0	0	114.1	N136	N136-P138 VanDerWaalsContact C-CD 3.46Å; N136-P138 VanDerWaalsContact O-CD 3.3Å; N136-P138 WeakPolarHBondContact O-CD 2.77Å
139	Y	82.5	Confident	64.9	Low	74 Å²	74	99 Å²	99	29%	0.29	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	112.4	-172.3	-54.8	-67.9	0	0	0	110.9	V137 C148 K151 L154	V137-Y139 PolarHBondContact O-N 3.32Å; V137-Y139 VanDerWaalsContact O-N 3.1Å; Y139-C148 PolarHBondContact O-N 2.91Å; Y139-K151 HydrophobicContact CD1-CB 4.16Å; Y139-K151 HydrophobicContact CD1-CG 4.31Å; Y139-K151 VanDerWaalsContact CD2-N 3.28Å; Y139-K151 HydrophobicContact CE1-CB 3.54Å; Y139-K151 HydrophobicContact CE1-CD 4.4Å; Y139-K151 HydrophobicContact CE1-CG 3.71Å; Y139-K151 HydrophobicContact CE2-CB 3.95Å; Y139-K151 VanDerWaalsContact CZ-CB 3.44Å; Y139-L154 HydrophobicContact CD1-CD2 4.05Å; Y139-L154 HydrophobicContact CG-CB 4.49Å; Y139-L154 HydrophobicContact CG-CD2 4.4Å
140	F	83.9	Confident	67	Low	109 Å²	109	92.9 Å²	92.9	48%	0.478	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	141.8	179.7	177.8	-99.1	0	0	0	110.6	I142 G145 L146	F140-I142 HydrophobicContact CD1-CG1 3.99Å; F140-I142 HydrophobicContact CE1-CB 4.38Å; F140-I142 HydrophobicContact CE1-CG1 3.94Å; F140-G145 VanDerWaalsContact CE2-C 3.48Å; F140-L146 CarbonylContact C-O 3.52Å; F140-L146 WeakPolarHBondContact CA-O 3.22Å; F140-L146 VanDerWaalsContact CD2-O 3.3Å; F140-L146 WeakPolarHBondContact CD2-O 3.45Å
141	C	85.4	Confident	69.4	Low	1 Å²	1	89.2 Å²	89.2	1%	0.007	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	110.8	174.6	174.6	0	0	0	0	111	P143 C144 G145 L146 L154 H157 F158 H163	C141-P143 VanDerWaalsContact SG-CD 3.56Å; C141-C144 HydrophobicContact CB-CB 4.29Å; C141-C144 PolarHBondContact O-N 2.84Å; C141-G145 WeakPolarHBondContact O-CA 3.11Å; C141-G145 PolarHBondContact O-N 3.13Å; C141-L146 PolarHBondContact N-O 3.19Å; C141-L146 PolarHBondContact O-N 3.13Å; C141-L154 HydrophobicContact CB-CD1 3.91Å; C141-H157 WeakPolarHBondContact CB-NE2 3.38Å; C141-H157 PolarHBondContact SG-NE2 2.74Å; C141-F158 HydrophobicContact CB-CE1 4.01Å; C141-H163 PolarHBondContact SG-CE1 3.14Å; C141-H163 PolarHBondContact SG-ND1 3.42Å
142	I	80.2	Confident	71.5	Confident	96 Å²	96	87.9 Å²	87.9	49%	0.492	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-61.5	-49.3	-179.9	-58	165	0	0	0	112.2	F140 C144 G145	F140-I142 HydrophobicContact CD1-CG1 3.99Å; F140-I142 HydrophobicContact CE1-CB 4.38Å; F140-I142 HydrophobicContact CE1-CG1 3.94Å; I142-C144 PolarHBondContact O-N 2.58Å; I142-G145 PolarHBondContact O-N 3.43Å
143	P	83.8	Confident	74	Confident	36 Å²	36	85.6 Å²	85.6	23%	0.234	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-60.4	-21.3	178.9	-25.9	33.1	0	0	0	115.2	C141 C167 Y170	C141-P143 VanDerWaalsContact SG-CD 3.56Å; P143-C167 VanDerWaalsContact CB-SG 3.57Å; P143-Y170 HydrophobicContact CB-CG 4.44Å
144	C	82.7	Confident	76.5	Confident	26 Å²	26	76.5 Å²	76.5	18%	0.176	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-113.7	-12.2	-175.4	-62.2	0	0	0	0	114.2	C141 I142 L146 H157	C141-C144 HydrophobicContact CB-CB 4.29Å; C141-C144 PolarHBondContact O-N 2.84Å; I142-C144 PolarHBondContact O-N 2.58Å; C144-L146 HydrophobicContact CB-CB 4.35Å; C144-L146 HydrophobicContact CB-CD1 3.89Å; C144-L146 HydrophobicContact CB-CG 4.11Å; C144-L146 PolarHBondContact O-N 2.88Å; C144-H157 PolarHBondContact SG-CE1 3.47Å; C144-H157 PolarHBondContact SG-NE2 3.31Å; C144-H157 VanDerWaalsContact SG-NE2 3.37Å
145	G	82.9	Confident	78.6	Confident	52 Å²	52	75 Å²	75	54%	0.536	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	24.2	-173.7	0	0	0	0	0	114	F140 C141 I142	F140-G145 VanDerWaalsContact CE2-C 3.48Å; C141-G145 WeakPolarHBondContact O-CA 3.11Å; C141-G145 PolarHBondContact O-N 3.13Å; I142-G145 PolarHBondContact O-N 3.43Å
146	L	82.1	Confident	80.6	Confident	87 Å²	87	71.7 Å²	71.7	46%	0.455	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.9	-174.4	-76	168.3	0	0	0	110.7	F140 C141 C144 H157	F140-L146 CarbonylContact C-O 3.52Å; F140-L146 WeakPolarHBondContact CA-O 3.22Å; F140-L146 VanDerWaalsContact CD2-O 3.3Å; F140-L146 WeakPolarHBondContact CD2-O 3.45Å; C141-L146 PolarHBondContact N-O 3.19Å; C141-L146 PolarHBondContact O-N 3.13Å; C144-L146 HydrophobicContact CB-CB 4.35Å; C144-L146 HydrophobicContact CB-CD1 3.89Å; C144-L146 HydrophobicContact CB-CG 4.11Å; C144-L146 PolarHBondContact O-N 2.88Å; L146-H157 VanDerWaalsContact CD1-CE1 3.44Å; L146-H157 WeakPolarHBondContact CD1-CE1 3.5Å
147	S	83.6	Confident	82.4	Confident	84 Å²	84	66.2 Å²	66.2	59%	0.587	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.4	167.7	58.4	0	0	0	0	109.8
148	C	81.2	Confident	83.8	Confident	12 Å²	12	67.3 Å²	67.3	8%	0.081	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140.3	-179.1	-66	0	0	0	0	109.8	V137 Y139 S150 Q153 L154	V137-C148 WeakPolarHBondContact CG1-O 3.41Å; Y139-C148 PolarHBondContact O-N 2.91Å; C148-S150 VanDerWaalsContact C-N 3.34Å; C148-Q153 HydrophobicContact CB-CB 3.96Å; C148-L154 HydrophobicContact CB-CB 4.07Å; C148-L154 HydrophobicContact CB-CD1 4.48Å
149	S	83.6	Confident	84.6	Confident	103 Å²	103	70.9 Å²	70.9	72%	0.72	39%	0.39	S	S	*	.	S	Bend	trans	-80	-16.7	-177.3	-55.1	0	0	0	0	113.1
150	S	83.7	Confident	84.8	Confident	33 Å²	33	68.6 Å²	68.6	23%	0.231	39%	0.388	C	S	.	.	S	Bend	trans	-141.1	162.9	179	93.2	0	0	0	0	112.5	C148 E152 Q153 L154	C148-S150 VanDerWaalsContact C-N 3.34Å; S150-E152 VanDerWaalsContact C-N 3.31Å; S150-E152 WeakPolarHBondContact CB-OE2 3.47Å; S150-E152 PolarHBondContact OG-N 3.22Å; S150-E152 PolarHBondContact OG-OE2 3.48Å; S150-Q153 PolarHBondContact O-N 2.91Å; S150-Q153 PolarHBondContact OG-N 2.75Å; S150-L154 PolarHBondContact O-N 3.1Å
151	K	85.7	Confident	84.9	Confident	108 Å²	108	72.2 Å²	72.2	47%	0.47	40%	0.404	S	S	.	.	H	α-helix	trans	-63	-42.6	177.8	-169.6	-179.7	170	-175.3	0	110.7	Y139 Q153 L154 D155	Y139-K151 HydrophobicContact CD1-CB 4.16Å; Y139-K151 HydrophobicContact CD1-CG 4.31Å; Y139-K151 VanDerWaalsContact CD2-N 3.28Å; Y139-K151 HydrophobicContact CE1-CB 3.54Å; Y139-K151 HydrophobicContact CE1-CD 4.4Å; Y139-K151 HydrophobicContact CE1-CG 3.71Å; Y139-K151 HydrophobicContact CE2-CB 3.95Å; Y139-K151 VanDerWaalsContact CZ-CB 3.44Å; K151-Q153 VanDerWaalsContact C-N 3.28Å; K151-Q153 PolarHBondContact O-N 2.87Å; K151-L154 WeakPolarHBondContact O-CB 3.18Å; K151-L154 PolarHBondContact O-N 2.88Å; K151-D155 PolarHBondContact O-N 2.82Å
152	E	86.1	Confident	84.8	Confident	129 Å²	129	80.7 Å²	80.7	60%	0.603	44%	0.441	S	S	*	.	H	α-helix	trans	-63.2	-36.4	-178.8	-55.3	71	-150.9	0	0	111	S150 S156	S150-E152 VanDerWaalsContact C-N 3.31Å; S150-E152 WeakPolarHBondContact CB-OE2 3.47Å; S150-E152 PolarHBondContact OG-N 3.22Å; S150-E152 PolarHBondContact OG-OE2 3.48Å; E152-S156 WeakPolarHBondContact O-CB 3.35Å; E152-S156 PolarHBondContact O-N 2.93Å
153	Q	85.5	Confident	85.1	Confident	99 Å²	99	77.4 Å²	77.4	46%	0.463	42%	0.423	S	S	.	.	H	α-helix	trans	-66	-38.5	173.5	-72	-179.3	-6.9	0	0	111.9	C148 S150 K151 H157	C148-Q153 HydrophobicContact CB-CB 3.96Å; S150-Q153 PolarHBondContact O-N 2.91Å; S150-Q153 PolarHBondContact OG-N 2.75Å; K151-Q153 VanDerWaalsContact C-N 3.28Å; K151-Q153 PolarHBondContact O-N 2.87Å; Q153-H157 WeakPolarHBondContact O-CB 3.27Å; Q153-H157 PolarHBondContact O-N 3.35Å
154	L	87.2	Confident	85.1	Confident	15 Å²	15	82.5 Å²	82.5	8%	0.079	44%	0.442	C	S	.	.	H	α-helix	trans	-72	-41.8	177.1	-173.3	68.8	0	0	0	112	Y139 C141 C148 S150 K151 H157 F158	Y139-L154 HydrophobicContact CD1-CD2 4.05Å; Y139-L154 HydrophobicContact CG-CB 4.49Å; Y139-L154 HydrophobicContact CG-CD2 4.4Å; C141-L154 HydrophobicContact CB-CD1 3.91Å; C148-L154 HydrophobicContact CB-CB 4.07Å; C148-L154 HydrophobicContact CB-CD1 4.48Å; S150-L154 PolarHBondContact O-N 3.1Å; K151-L154 WeakPolarHBondContact O-CB 3.18Å; K151-L154 PolarHBondContact O-N 2.88Å; L154-H157 CarbonylContact O-C 3.58Å; L154-H157 WeakPolarHBondContact O-CA 3.46Å; L154-H157 VanDerWaalsContact O-CB 3.31Å; L154-H157 WeakPolarHBondContact O-CB 3.2Å; L154-H157 PolarHBondContact O-N 3.39Å; L154-H157 VanDerWaalsContact O-N 3.17Å; L154-F158 HydrophobicContact CD1-CE1 4.01Å; L154-F158 HydrophobicContact CD1-CE2 4.27Å; L154-F158 HydrophobicContact CD1-CZ 3.81Å; L154-F158 HydrophobicContact CD2-CE2 3.85Å; L154-F158 HydrophobicContact CD2-CZ 3.89Å; L154-F158 HydrophobicContact CG-CD2 4.24Å; L154-F158 HydrophobicContact CG-CE1 4.32Å; L154-F158 HydrophobicContact CG-CE2 3.68Å; L154-F158 HydrophobicContact CG-CZ 3.73Å; L154-F158 WeakPolarHBondContact O-CG 3.47Å; L154-F158 PolarHBondContact O-N 3.33Å
155	D	86.3	Confident	85.2	Confident	73 Å²	73	88.5 Å²	88.5	39%	0.39	47%	0.465	S	S	.	.	H	α-helix	trans	-63.6	-44.2	176.1	-71.6	-20.4	0	0	0	110.6	K151 H157 F158 L159	K151-D155 PolarHBondContact O-N 2.82Å; D155-H157 VanDerWaalsContact C-N 3.31Å; D155-H157 PolarHBondContact O-N 3.15Å; D155-F158 PolarHBondContact O-N 3.48Å; D155-L159 WeakPolarHBondContact O-CG 3.36Å; D155-L159 PolarHBondContact O-N 2.92Å
156	S	86.6	Confident	84.9	Confident	81 Å²	81	90.3 Å²	90.3	57%	0.566	46%	0.459	S	S	*	.	H	α-helix	trans	-63	-37.5	172.5	-173.1	0	0	0	0	112.2	E152 L159 G160	E152-S156 WeakPolarHBondContact O-CB 3.35Å; E152-S156 PolarHBondContact O-N 2.93Å; S156-L159 PolarHBondContact O-N 3.41Å; S156-G160 PolarHBondContact O-N 3.37Å
157	H	89.6	Confident	84.8	Confident	29 Å²	29	88.3 Å²	88.3	13%	0.134	45%	0.452	C	S	.	.	H	α-helix	trans	-61.1	-45.3	172.9	168.8	76.3	0	0	0	111.9	C141 C144 L146 Q153 L154 D155 L159 G160 H163	C141-H157 WeakPolarHBondContact CB-NE2 3.38Å; C141-H157 PolarHBondContact SG-NE2 2.74Å; C144-H157 PolarHBondContact SG-CE1 3.47Å; C144-H157 PolarHBondContact SG-NE2 3.31Å; C144-H157 VanDerWaalsContact SG-NE2 3.37Å; L146-H157 VanDerWaalsContact CD1-CE1 3.44Å; L146-H157 WeakPolarHBondContact CD1-CE1 3.5Å; Q153-H157 WeakPolarHBondContact O-CB 3.27Å; Q153-H157 PolarHBondContact O-N 3.35Å; L154-H157 CarbonylContact O-C 3.58Å; L154-H157 WeakPolarHBondContact O-CA 3.46Å; L154-H157 VanDerWaalsContact O-CB 3.31Å; L154-H157 WeakPolarHBondContact O-CB 3.2Å; L154-H157 PolarHBondContact O-N 3.39Å; L154-H157 VanDerWaalsContact O-N 3.17Å; D155-H157 VanDerWaalsContact C-N 3.31Å; D155-H157 PolarHBondContact O-N 3.15Å; H157-L159 VanDerWaalsContact C-N 3.34Å; H157-L159 PolarHBondContact O-N 3.47Å; H157-G160 PolarHBondContact O-N 3.45Å; H157-H163 AromaticContact CD2-ND1 3.78Å; H157-H163 AromaticContact NE2-CG 3.71Å; H157-H163 AromaticContact NE2-ND1 3.12Å; H157-H163 PolarHBondContact NE2-ND1 2.62Å; H157-H163 VanDerWaalsContact NE2-ND1 3.12Å; H157-H163 WeakPolarHBondContact O-CB 3.44Å
158	F	87.4	Confident	84.6	Confident	86 Å²	86	92.2 Å²	92.2	38%	0.377	46%	0.459	S	S	.	.	H	α-helix	trans	-63.7	-36.1	177.4	-68.9	-29.3	0	0	0	112.9	C141 L154 D155 G160 H163	C141-F158 HydrophobicContact CB-CE1 4.01Å; L154-F158 HydrophobicContact CD1-CE1 4.01Å; L154-F158 HydrophobicContact CD1-CE2 4.27Å; L154-F158 HydrophobicContact CD1-CZ 3.81Å; L154-F158 HydrophobicContact CD2-CE2 3.85Å; L154-F158 HydrophobicContact CD2-CZ 3.89Å; L154-F158 HydrophobicContact CG-CD2 4.24Å; L154-F158 HydrophobicContact CG-CE1 4.32Å; L154-F158 HydrophobicContact CG-CE2 3.68Å; L154-F158 HydrophobicContact CG-CZ 3.73Å; L154-F158 WeakPolarHBondContact O-CG 3.47Å; L154-F158 PolarHBondContact O-N 3.33Å; D155-F158 PolarHBondContact O-N 3.48Å; F158-G160 PolarHBondContact O-N 3.27Å; F158-H163 AromaticContact CD1-CD2 3.93Å; F158-H163 AromaticContact CD1-CE1 3.36Å; F158-H163 WeakPolarHBondContact CD1-CE1 3.44Å; F158-H163 AromaticContact CD1-ND1 3.79Å; F158-H163 AromaticContact CD1-NE2 3.45Å; F158-H163 WeakPolarHBondContact CD1-NE2 3.44Å; F158-H163 AromaticContact CE1-CE1 3.65Å; F158-H163 PolarHBondContact O-CD2 3.13Å
159	L	86.7	Confident	84.2	Confident	156 Å²	156	100 Å²	100	82%	0.817	49%	0.491	S	S	*	.	H	α-helix	trans	-72.3	-17.2	173	-66.4	169.6	0	0	0	113.1	D155 S156 H157	D155-L159 WeakPolarHBondContact O-CG 3.36Å; D155-L159 PolarHBondContact O-N 2.92Å; S156-L159 PolarHBondContact O-N 3.41Å; H157-L159 VanDerWaalsContact C-N 3.34Å; H157-L159 PolarHBondContact O-N 3.47Å
160	G	86.7	Confident	83.6	Confident	25 Å²	25	100.9 Å²	100.9	26%	0.258	48%	0.479	S	S	.	.	S	Bend	trans	-65.8	137.9	-177.1	0	0	0	0	0	114.1	S156 H157 F158 K162 H163 K164	S156-G160 PolarHBondContact O-N 3.37Å; H157-G160 PolarHBondContact O-N 3.45Å; F158-G160 PolarHBondContact O-N 3.27Å; G160-K162 PolarHBondContact O-N 3.33Å; G160-H163 PolarHBondContact O-N 2.97Å; G160-K164 PolarHBondContact O-N 3.43Å
161	K	85.4	Confident	82.2	Confident	185 Å²	185	107.2 Å²	107.2	80%	0.804	50%	0.503	S	S	*	.	H	α-helix	trans	-54.3	-28.6	174.6	-64.8	-179.5	-177.5	175.8	0	113.1	K165	K161-K165 WeakPolarHBondContact O-CG 3.28Å; K161-K165 PolarHBondContact O-N 3.49Å
162	K	84.1	Confident	80.7	Confident	179 Å²	179	105.9 Å²	105.9	78%	0.778	51%	0.505	S	S	*	.	H	α-helix	trans	-68.2	-46.8	177.3	-67.6	-176.4	-179.7	178.7	0	111.7	G160 K165 Q166	G160-K162 PolarHBondContact O-N 3.33Å; K162-K165 PolarHBondContact O-N 2.85Å; K162-Q166 WeakPolarHBondContact O-CG 3.49Å; K162-Q166 PolarHBondContact O-N 2.97Å
163	H	86.1	Confident	78.7	Confident	27 Å²	27	110.2 Å²	110.2	13%	0.125	52%	0.522	C	S	.	.	H	α-helix	trans	-62	-47.6	177.5	179.2	79.6	0	0	0	111.2	C141 H157 F158 G160 K165 Q166 C167	C141-H163 PolarHBondContact SG-CE1 3.14Å; C141-H163 PolarHBondContact SG-ND1 3.42Å; H157-H163 AromaticContact CD2-ND1 3.78Å; H157-H163 AromaticContact NE2-CG 3.71Å; H157-H163 AromaticContact NE2-ND1 3.12Å; H157-H163 PolarHBondContact NE2-ND1 2.62Å; H157-H163 VanDerWaalsContact NE2-ND1 3.12Å; H157-H163 WeakPolarHBondContact O-CB 3.44Å; F158-H163 AromaticContact CD1-CD2 3.93Å; F158-H163 AromaticContact CD1-CE1 3.36Å; F158-H163 WeakPolarHBondContact CD1-CE1 3.44Å; F158-H163 AromaticContact CD1-ND1 3.79Å; F158-H163 AromaticContact CD1-NE2 3.45Å; F158-H163 WeakPolarHBondContact CD1-NE2 3.44Å; F158-H163 AromaticContact CE1-CE1 3.65Å; F158-H163 PolarHBondContact O-CD2 3.13Å; G160-H163 PolarHBondContact O-N 2.97Å; H163-K165 PolarHBondContact O-N 2.9Å; H163-K165 VanDerWaalsContact O-N 3.15Å; H163-Q166 PolarHBondContact O-N 3.47Å; H163-C167 PolarHBondContact CE1-SG 3.41Å; H163-C167 PolarHBondContact NE2-SG 2.99Å; H163-C167 WeakPolarHBondContact O-CB 3.29Å; H163-C167 PolarHBondContact O-N 3.18Å; H163-C167 PolarHBondContact O-SG 3.45Å; H163-C167 VanDerWaalsContact O-SG 3.39Å
164	K	84.4	Confident	76.6	Confident	144 Å²	144	110.8 Å²	110.8	63%	0.626	53%	0.532	S	S	*	.	H	α-helix	trans	-57	-33.3	177.3	-167.8	171.4	-174.7	171.6	0	113.4	G160 K168	G160-K164 PolarHBondContact O-N 3.43Å; K164-K168 WeakPolarHBondContact O-CG 3.34Å; K164-K168 PolarHBondContact O-N 2.97Å
165	K	84.1	Confident	74.3	Confident	151 Å²	151	114.8 Å²	114.8	66%	0.657	56%	0.562	S	S	*	*	H	α-helix	trans	-74.3	-42.7	174.3	-74.6	-178.2	-178.9	-174.2	0	112.4	K161 K162 H163 K168 K169	K161-K165 WeakPolarHBondContact O-CG 3.28Å; K161-K165 PolarHBondContact O-N 3.49Å; K162-K165 PolarHBondContact O-N 2.85Å; H163-K165 PolarHBondContact O-N 2.9Å; H163-K165 VanDerWaalsContact O-N 3.15Å; K165-K168 PolarHBondContact O-N 3.39Å; K165-K169 PolarHBondContact O-N 2.82Å
166	Q	77.9	Confident	71.9	Confident	90 Å²	90	118.4 Å²	118.4	42%	0.421	58%	0.581	S	S	.	*	H	α-helix	trans	-63.5	-44.3	177	-72.7	-84.5	39.3	0	0	111.1	K162 H163 K168 K169 Y170	K162-Q166 WeakPolarHBondContact O-CG 3.49Å; K162-Q166 PolarHBondContact O-N 2.97Å; H163-Q166 PolarHBondContact O-N 3.47Å; Q166-K168 VanDerWaalsContact C-N 3.29Å; Q166-K168 PolarHBondContact O-N 3.48Å; Q166-K169 CarbonylContact O-C 3.33Å; Q166-K169 PolarHBondContact O-N 3.09Å; Q166-Y170 PolarHBondContact O-N 3.39Å
167	C	79.9	Confident	69.6	Low	45 Å²	45	123.6 Å²	123.6	30%	0.304	60%	0.596	S	S	.	*	H	α-helix	trans	-62.6	-30.8	178.5	-72.2	0	0	0	0	114	P143 H163 K169 Y170	P143-C167 VanDerWaalsContact CB-SG 3.57Å; H163-C167 PolarHBondContact CE1-SG 3.41Å; H163-C167 PolarHBondContact NE2-SG 2.99Å; H163-C167 WeakPolarHBondContact O-CB 3.29Å; H163-C167 PolarHBondContact O-N 3.18Å; H163-C167 PolarHBondContact O-SG 3.45Å; H163-C167 VanDerWaalsContact O-SG 3.39Å; C167-K169 VanDerWaalsContact C-N 3.35Å; C167-Y170 PolarHBondContact O-N 3.29Å
168	K	77.9	Confident	67	Low	167 Å²	167	131 Å²	131	73%	0.726	64%	0.635	S	S	*	*	H	α-helix	trans	-70.6	-30.5	173	-74.5	-178	178.6	-164.5	0	113.2	K164 K165 Q166	K164-K168 WeakPolarHBondContact O-CG 3.34Å; K164-K168 PolarHBondContact O-N 2.97Å; K165-K168 PolarHBondContact O-N 3.39Å; Q166-K168 VanDerWaalsContact C-N 3.29Å; Q166-K168 PolarHBondContact O-N 3.48Å
169	K	73.7	Confident	64.4	Low	174 Å²	174	132.4 Å²	132.4	76%	0.757	66%	0.656	S	S	*	*	H	α-helix	trans	-83.3	-23.8	176.4	-66.3	-175.1	178.2	-171.5	0	112.1	K165 Q166 C167 K171	K165-K169 PolarHBondContact O-N 2.82Å; Q166-K169 CarbonylContact O-C 3.33Å; Q166-K169 PolarHBondContact O-N 3.09Å; C167-K169 VanDerWaalsContact C-N 3.35Å; K169-K171 PolarHBondContact O-N 2.9Å
170	Y	70.8	Confident	61.7	Low	122 Å²	122	127.9 Å²	127.9	48%	0.478	65%	0.648	S	S	.	*			trans	-71.4	76.8	171.6	-162.7	-95.9	0	0	0	109.2	P143 Q166 C167 P172	P143-Y170 HydrophobicContact CB-CG 4.44Å; Q166-Y170 PolarHBondContact O-N 3.39Å; C167-Y170 PolarHBondContact O-N 3.29Å; Y170-P172 WeakPolarHBondContact O-CD 3.4Å
171	K	54.6	Low	58.8	Low	167 Å²	167	138 Å²	138	73%	0.726	68%	0.68	S	S	*	*			trans	-77.9	112.6	164.1	-93	-175.4	174.9	-177.6	0	107	K169 F173	K169-K171 PolarHBondContact O-N 2.9Å; K171-F173 PolarHBondContact O-N 3.47Å
172	P	54.7	Low	56.2	Low	80 Å²	80	135.9 Å²	135.9	52%	0.519	68%	0.682	S	S	.	*			trans	-57.9	133	156.3	27	-31	0	0	0	106.6	Y170 V174	Y170-P172 WeakPolarHBondContact O-CD 3.4Å; P172-V174 HydrophobicContact CB-CG2 4.04Å; P172-V174 HydrophobicContact CG-CG2 4.18Å; P172-V174 PolarHBondContact O-N 3.01Å
173	F	43.3	Very low	53.6	Low	220 Å²	220	132.2 Å²	132.2	97%	0.965	68%	0.679	S	S	*	*	S	Bend	trans	-71.1	74	-177.8	-153.3	-89.8	0	0	0	109.3	K171	K171-F173 PolarHBondContact O-N 3.47Å
174	V	41.7	Very low	50.9	Low	111 Å²	111	139 Å²	139	67%	0.673	72%	0.716	S	S	*	*			trans	-143.3	89.7	172.3	-91.3	0	0	0	0	106.9	P172	P172-V174 HydrophobicContact CB-CG2 4.04Å; P172-V174 HydrophobicContact CG-CG2 4.18Å; P172-V174 PolarHBondContact O-N 3.01Å
175	S	38.9	Very low	48.3	Very low	99 Å²	99	140.8 Å²	140.8	69%	0.692	73%	0.726	S	S	*	*			trans	-134.7	124.5	163.1	-65.1	0	0	0	0	106.6
176	D	35.3	Very low	46	Very low	148 Å²	148	142.6 Å²	142.6	79%	0.791	74%	0.737	S	S	*	*	S	Bend	trans	81.1	75.6	149	-128.6	22.8	0	0	0	118.6
177	Q	38.3	Very low	43.9	Very low	191 Å²	191	144.2 Å²	144.2	89%	0.893	76%	0.759	S	S	*	*	S	Bend	trans	-150.4	19.4	147	-72.6	-153.8	2.8	0	0	114.3
178	L	36.2	Very low	41.9	Very low	183 Å²	183	149.2 Å²	149.2	96%	0.958	78%	0.782	S	S	*	*			trans	-128.9	74.3	169.7	-94.3	100.3	0	0	0	110.7
179	S	31.3	Very low	40.1	Very low	117 Å²	117	149.7 Å²	149.7	82%	0.818	79%	0.787	S	S	*	*			trans	-140.5	100.6	156.1	-177.7	0	0	0	0	105.7
180	G	29.8	Very low	38.3	Very low	61 Å²	61	145.9 Å²	145.9	63%	0.629	78%	0.78	S	S	*	*			trans	167.3	37.4	-175.9	0	0	0	0	0	115.3
181	Y	27.3	Very low	36.5	Very low	237 Å²	237	148 Å²	148	93%	0.929	80%	0.798	S	S	*	*			trans	-153.3	65.1	165.4	-77	-72.6	0	0	0	110.7
182	V	30.1	Very low	35.4	Very low	140 Å²	140	143.8 Å²	143.8	85%	0.848	80%	0.802	S	S	*	*			trans	-154.2	136.9	154.8	-172.9	0	0	0	0	107.8
183	S	29.4	Very low	34.4	Very low	102 Å²	102	147.9 Å²	147.9	71%	0.713	81%	0.814	S	S	*	*			trans	93.5	92.5	170.5	-32.1	0	0	0	0	115.6
184	N	30.2	Very low	34	Very low	169 Å²	169	142.5 Å²	142.5	90%	0.904	80%	0.801	S	S	*	*				-156.2	117.9	120.6	-115.2	-2	0	0	0	110.3
185	E	28.5	Very low	33.4	Very low	182 Å²	182	143 Å²	143	85%	0.85	80%	0.8	S	S	*	*			trans	-86.9	163.8	170.2	-55.9	-175.9	114.2	0	0	109
186	Q	35.8	Very low	33	Very low	190 Å²	190	147.3 Å²	147.3	89%	0.888	81%	0.807	S	S	*	*			trans	82	98.6	172	-66.2	172.5	-34.6	0	0	118.2
187	S	33.9	Very low	32.9	Very low	124 Å²	124	148.5 Å²	148.5	87%	0.867	81%	0.805	S	S	*	*				-166.5	145.2	118.8	42.2	0	0	0	0	110.8
188	D	38.9	Very low	32.6	Very low	149 Å²	149	144.1 Å²	144.1	80%	0.797	80%	0.796	S	S	*	*			trans	-74.5	142.9	-163.2	-62.6	-80.2	0	0	0	116.2
189	Q	40.5	Very low	32.5	Very low	178 Å²	178	140.9 Å²	140.9	83%	0.832	79%	0.785	S	S	*	*			trans	72.9	157.6	133.5	-81.6	-145.1	-24.1	0	0	121.6
190	P	35.8	Very low	32.5	Very low	93 Å²	93	143.1 Å²	143.1	60%	0.604	79%	0.786	S	S	*	*				-136.8	-166.3	-86.8	28.9	-2.2	0	0	0	113.7
191	I	31.9	Very low	32.5	Very low	168 Å²	168	145.1 Å²	145.1	86%	0.862	79%	0.789	S	S	*	*			trans	109	114	150.8	-55.3	156.7	0	0	0	116.7
192	G	32.7	Very low	32.5	Very low	78 Å²	78	140.4 Å²	140.4	80%	0.804	78%	0.784	S	S	*	*			trans	136.4	74.5	151.8	0	0	0	0	0	118.5
193	Q	32.2	Very low	32.4	Very low	166 Å²	166	140.6 Å²	140.6	78%	0.776	78%	0.78	S	S	*	*			trans	-72	172.5	162	-104	177.4	-71.8	0	0	111.7	D195	Q193-D195 PolarHBondContact NE2-OD1 3.39Å; Q193-D195 VanDerWaalsContact NE2-OD1 3.11Å
194	P	35.8	Very low	32.2	Very low	107 Å²	107	143.8 Å²	143.8	70%	0.695	78%	0.781	S	S	*	*			cis	-146.8	154.5	31.1	32	-6.8	0	0	0	120.1
195	D	28.5	Very low	31.9	Very low	122 Å²	122	143.4 Å²	143.4	65%	0.652	78%	0.779	S	S	*	*				47.4	123.1	128.6	-44.8	-30.3	0	0	0	124.1	Q193	Q193-D195 PolarHBondContact NE2-OD1 3.39Å; Q193-D195 VanDerWaalsContact NE2-OD1 3.11Å
196	F	31.3	Very low	31.8	Very low	189 Å²	189	140.3 Å²	140.3	83%	0.829	77%	0.773	S	S	*	*			trans	-153.9	111.2	137.1	-131.1	-99.2	0	0	0	111.5
197	F	32.2	Very low	31.4	Very low	172 Å²	172	136.2 Å²	136.2	75%	0.754	77%	0.771	S	S	*	*			trans	29.6	142.6	150.6	-62	-100	0	0	0	121
198	S	32.6	Very low	31.2	Very low	100 Å²	100	135.6 Å²	135.6	70%	0.699	77%	0.767	S	S	*	*			cis	-167.9	157.9	-15.2	-79.4	0	0	0	0	106.8
199	P	34.9	Very low	30.7	Very low	114 Å²	114	137 Å²	137	74%	0.74	77%	0.769	S	S	*	*			trans	-102.5	175.9	-168.6	32.7	-19.8	0	0	0	114.3
200	I	30.8	Very low	30.1	Very low	164 Å²	164	136.2 Å²	136.2	84%	0.841	77%	0.771	S	S	*	*			trans	154.4	141.9	154.2	-82.4	154.6	0	0	0	111.6
201	P	29.8	Very low	29.9	Very low	104 Å²	104	134.8 Å²	134.8	68%	0.675	76%	0.763	S	S	*	*			cis	-139.5	172.1	-43.7	43.3	-23.9	0	0	0	113.8
202	T	26.1	Very low	29.8	Very low	137 Å²	137	132.1 Å²	132.1	84%	0.84	76%	0.755	S	S	*	*			trans	-58.5	127.8	164.3	-48.6	0	0	0	0	112.6
203	L	27.7	Very low	30.1	Very low	144 Å²	144	133.4 Å²	133.4	75%	0.754	74%	0.743	S	S	*	*			trans	-146.4	129.3	159.6	-95.5	174	0	0	0	111.2
204	F	25.4	Very low	30.3	Very low	169 Å²	169	135.1 Å²	135.1	74%	0.741	75%	0.748	S	S	*	*			trans	78.2	76.5	164.7	-83.6	-95.2	0	0	0	119.5
205	N	24.5	Very low	30.5	Very low	162 Å²	162	133.6 Å²	133.6	87%	0.866	73%	0.729	S	S	*	*			trans	-92	114.8	130.2	-86.9	-13.2	0	0	0	107.3
206	T	26.1	Very low	31.3	Very low	116 Å²	116	131.5 Å²	131.5	71%	0.712	71%	0.714	S	S	*	*			trans	165.7	141.6	147.2	39.8	0	0	0	0	109.3
207	A	28.4	Very low	32.3	Very low	104 Å²	104	127.8 Å²	127.8	86%	0.86	71%	0.709	S	S	*	*			trans	75.4	124.3	174.3	0	0	0	0	0	115
208	S	29.2	Very low	33.4	Very low	112 Å²	112	126.9 Å²	126.9	78%	0.783	71%	0.705	S	S	*	*			cis	-161.4	139.4	-6.7	55.7	0	0	0	0	105.5	N210	S208-N210 PolarHBondContact O-N 2.83Å
209	E	28.2	Very low	34.4	Very low	177 Å²	177	124.5 Å²	124.5	83%	0.827	68%	0.683	S	S	*	*			trans	-45	126.3	172.4	-60.4	165.7	164.2	0	0	111.1
210	N	28	Very low	35.5	Very low	162 Å²	162	122 Å²	122	87%	0.866	67%	0.665	S	S	*	*			trans	164	144.4	134	-81.9	-38.4	0	0	0	111.3	S208	S208-N210 PolarHBondContact O-N 2.83Å
211	S	31.3	Very low	37	Very low	64 Å²	64	117.7 Å²	117.7	45%	0.448	65%	0.648	S	S	.	*	S	Bend	trans	89.7	83	169.5	-145.4	0	0	0	0	116.7	N213	S211-N213 PolarHBondContact O-N 3.28Å
212	T	29.6	Very low	38.5	Very low	112 Å²	112	113.6 Å²	113.6	69%	0.687	62%	0.622	S	S	*	*			trans	52.7	67.4	131.4	62.2	0	0	0	0	117
213	N	39.7	Very low	40.2	Very low	104 Å²	104	107.4 Å²	107.4	56%	0.556	58%	0.583	S	S	*	*			trans	-114.5	82.2	157	-70	-56.6	0	0	0	108	S211 W215	S211-N213 PolarHBondContact O-N 3.28Å; N213-W215 PolarHBondContact O-N 3.06Å
214	F	35.7	Very low	42.2	Very low	203 Å²	203	107.1 Å²	107.1	89%	0.89	58%	0.576	S	S	*	*			trans	-78.4	70.7	171.6	-140.5	-89.2	0	0	0	108
215	W	41.8	Very low	44.1	Very low	74 Å²	74	103.4 Å²	103.4	28%	0.28	56%	0.564	S	S	.	*			trans	-97.2	122.3	-179.4	-84.3	19.3	0	0	0	109.6	N213 I223 G281 L285	N213-W215 PolarHBondContact O-N 3.06Å; W215-I223 HydrophobicContact CD2-CD1 3.81Å; W215-I223 HydrophobicContact CE3-CB 4.48Å; W215-I223 HydrophobicContact CE3-CD1 3.2Å; W215-I223 HydrophobicContact CE3-CG1 4.2Å; W215-I223 HydrophobicContact CE3-CG2 4.43Å; W215-I223 HydrophobicContact CH2-CB 4.12Å; W215-I223 HydrophobicContact CH2-CD1 3.35Å; W215-I223 HydrophobicContact CH2-CG1 3.61Å; W215-I223 HydrophobicContact CH2-CG2 3.61Å; W215-I223 HydrophobicContact CZ2-CD1 4.04Å; W215-I223 HydrophobicContact CZ3-CB 3.67Å; W215-I223 HydrophobicContact CZ3-CD1 3Å; W215-I223 HydrophobicContact CZ3-CG1 3.5Å; W215-I223 HydrophobicContact CZ3-CG2 3.28Å; W215-G281 WeakPolarHBondContact CH2-O 3.14Å; W215-G281 WeakPolarHBondContact CZ2-O 3.2Å; W215-L285 HydrophobicContact CH2-CD1 3.96Å; W215-L285 HydrophobicContact CZ2-CD1 3.61Å
216	F	43.6	Very low	46	Very low	78 Å²	78	95.9 Å²	95.9	34%	0.342	52%	0.524	S	S	.	.			trans	-55.5	136	179.9	-75.1	-92.1	0	0	0	110.7	K218 M219 V317	F216-K218 PolarHBondContact O-N 3.42Å; F216-M219 HydrophobicContact CB-CE 4.19Å; F216-M219 HydrophobicContact CB-CG 4.28Å; F216-M219 HydrophobicContact CD2-CE 3.66Å; F216-M219 HydrophobicContact CG-CE 4.33Å; F216-M219 PolarHBondContact O-N 3.1Å; F216-V317 HydrophobicContact CE1-CG2 3.82Å; F216-V317 HydrophobicContact CE2-CG1 3.77Å; F216-V317 HydrophobicContact CE2-CG2 4.25Å; F216-V317 HydrophobicContact CZ-CB 4.35Å; F216-V317 HydrophobicContact CZ-CG1 3.67Å; F216-V317 HydrophobicContact CZ-CG2 3.62Å
217	P	53.3	Low	47.9	Very low	111 Å²	111	93.2 Å²	93.2	72%	0.721	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-53.7	-33	179	-25.6	32.5	0	0	0	113.3	M219 V220	P217-M219 VanDerWaalsContact C-N 3.31Å; P217-M219 PolarHBondContact O-N 3.07Å; P217-V220 WeakPolarHBondContact O-CB 3.4Å; P217-V220 PolarHBondContact O-N 3.08Å
218	K	54.8	Low	49.7	Very low	153 Å²	153	92.7 Å²	92.7	67%	0.665	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-68.2	-23.5	178.1	-69.2	-170.5	175.6	-176.5	0	114.3	F216 P221	F216-K218 PolarHBondContact O-N 3.42Å; K218-P221 WeakPolarHBondContact O-CD 3.45Å
219	M	53.4	Low	51.2	Low	50 Å²	50	90.7 Å²	90.7	25%	0.246	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-89.4	-16.8	179.4	-61	-153.6	-94.3	0	0	112.6	F216 P217 P221 C222 I223 I308	F216-M219 HydrophobicContact CB-CE 4.19Å; F216-M219 HydrophobicContact CB-CG 4.28Å; F216-M219 HydrophobicContact CD2-CE 3.66Å; F216-M219 HydrophobicContact CG-CE 4.33Å; F216-M219 PolarHBondContact O-N 3.1Å; P217-M219 VanDerWaalsContact C-N 3.31Å; P217-M219 PolarHBondContact O-N 3.07Å; M219-P221 VanDerWaalsContact C-CD 3.5Å; M219-C222 PolarHBondContact O-N 3.07Å; M219-C222 VanDerWaalsContact O-N 3.12Å; M219-I223 HydrophobicContact CB-CD1 3.8Å; M219-I223 VanDerWaalsContact O-CD1 3.29Å; M219-I223 WeakPolarHBondContact O-CD1 3.22Å; M219-I223 PolarHBondContact O-N 3.37Å; M219-I308 HydrophobicContact SD-CG2 4.15Å
220	V	59.2	Low	52.8	Low	61 Å²	61	83.7 Å²	83.7	37%	0.37	43%	0.432	S	S	.	.	H	α-helix	trans	-53.6	-43.4	-179.9	-179.3	0	0	0	0	112.8	P217 K224	P217-V220 WeakPolarHBondContact O-CB 3.4Å; P217-V220 PolarHBondContact O-N 3.08Å; V220-K224 HydrophobicContact CG1-CD 4.46Å; V220-K224 WeakPolarHBondContact O-CB 3.36Å; V220-K224 WeakPolarHBondContact O-CG 3.44Å; V220-K224 PolarHBondContact O-N 2.8Å
221	P	62.5	Low	54.6	Low	74 Å²	74	78.1 Å²	78.1	48%	0.481	41%	0.406	S	S	.	.	H	α-helix	trans	-67.5	-41.4	177.1	-18.9	32.4	0	0	0	113	K218 M219 I223 K224 N225	K218-P221 WeakPolarHBondContact O-CD 3.45Å; M219-P221 VanDerWaalsContact C-CD 3.5Å; P221-I223 VanDerWaalsContact C-N 3.34Å; P221-I223 PolarHBondContact O-N 3.05Å; P221-K224 WeakPolarHBondContact O-CB 3.38Å; P221-K224 PolarHBondContact O-N 2.76Å; P221-N225 PolarHBondContact O-N 2.84Å
222	C	60.1	Low	56.1	Low	18 Å²	18	80.6 Å²	80.6	12%	0.122	41%	0.408	C	S	.	.	H	α-helix	trans	-62.6	-43.4	177.6	-84.3	0	0	0	0	111.2	M219 N225 I226 F307	M219-C222 PolarHBondContact O-N 3.07Å; M219-C222 VanDerWaalsContact O-N 3.12Å; C222-N225 WeakPolarHBondContact O-CB 3.47Å; C222-N225 PolarHBondContact O-N 2.93Å; C222-I226 WeakPolarHBondContact O-CG1 3.39Å; C222-I226 PolarHBondContact O-N 3.44Å; C222-F307 VanDerWaalsContact SG-CD1 3.58Å
223	I	62.3	Low	57.4	Low	7 Å²	7	78.3 Å²	78.3	4%	0.036	39%	0.392	C	S	.	.	H	α-helix	trans	-71	-36.1	178.2	-59.4	139.4	0	0	0	110.9	W215 M219 P221 N225 I226 I227	W215-I223 HydrophobicContact CD2-CD1 3.81Å; W215-I223 HydrophobicContact CE3-CB 4.48Å; W215-I223 HydrophobicContact CE3-CD1 3.2Å; W215-I223 HydrophobicContact CE3-CG1 4.2Å; W215-I223 HydrophobicContact CE3-CG2 4.43Å; W215-I223 HydrophobicContact CH2-CB 4.12Å; W215-I223 HydrophobicContact CH2-CD1 3.35Å; W215-I223 HydrophobicContact CH2-CG1 3.61Å; W215-I223 HydrophobicContact CH2-CG2 3.61Å; W215-I223 HydrophobicContact CZ2-CD1 4.04Å; W215-I223 HydrophobicContact CZ3-CB 3.67Å; W215-I223 HydrophobicContact CZ3-CD1 3Å; W215-I223 HydrophobicContact CZ3-CG1 3.5Å; W215-I223 HydrophobicContact CZ3-CG2 3.28Å; M219-I223 HydrophobicContact CB-CD1 3.8Å; M219-I223 VanDerWaalsContact O-CD1 3.29Å; M219-I223 WeakPolarHBondContact O-CD1 3.22Å; M219-I223 PolarHBondContact O-N 3.37Å; P221-I223 VanDerWaalsContact C-N 3.34Å; P221-I223 PolarHBondContact O-N 3.05Å; I223-N225 VanDerWaalsContact C-N 3.27Å; I223-N225 PolarHBondContact O-N 2.94Å; I223-I226 PolarHBondContact O-N 3.05Å; I223-I226 VanDerWaalsContact O-N 3.14Å; I223-I227 HydrophobicContact CG2-CD1 3.65Å; I223-I227 HydrophobicContact CG2-CG1 3.97Å; I223-I227 WeakPolarHBondContact O-CB 3.33Å; I223-I227 WeakPolarHBondContact O-CG1 3.33Å; I223-I227 PolarHBondContact O-N 3.15Å
224	K	68.9	Low	58.3	Low	138 Å²	138	76.2 Å²	76.2	60%	0.6	38%	0.383	S	S	*	.	H	α-helix	trans	-55.1	-44.5	169.7	-80.5	-176.8	177.5	-173.4	0	111.4	V220 P221 I227 E228	V220-K224 HydrophobicContact CG1-CD 4.46Å; V220-K224 WeakPolarHBondContact O-CB 3.36Å; V220-K224 WeakPolarHBondContact O-CG 3.44Å; V220-K224 PolarHBondContact O-N 2.8Å; P221-K224 WeakPolarHBondContact O-CB 3.38Å; P221-K224 PolarHBondContact O-N 2.76Å; K224-I227 PolarHBondContact O-N 3.36Å; K224-E228 WeakPolarHBondContact O-CB 3.24Å; K224-E228 PolarHBondContact O-N 3.29Å
225	N	65.8	Low	59.2	Low	91 Å²	91	73.9 Å²	73.9	49%	0.487	38%	0.379	S	S	.	.	H	α-helix	trans	-64.3	-40.4	175.7	-72.5	-14.6	0	0	0	112.6	P221 C222 I223 E228 L229	P221-N225 PolarHBondContact O-N 2.84Å; C222-N225 WeakPolarHBondContact O-CB 3.47Å; C222-N225 PolarHBondContact O-N 2.93Å; I223-N225 VanDerWaalsContact C-N 3.27Å; I223-N225 PolarHBondContact O-N 2.94Å; N225-E228 PolarHBondContact O-N 3.03Å; N225-L229 WeakPolarHBondContact O-CB 3.49Å; N225-L229 VanDerWaalsContact O-CG 3.24Å; N225-L229 WeakPolarHBondContact O-CG 3.45Å; N225-L229 PolarHBondContact O-N 3.23Å
226	I	64.2	Low	59.8	Low	4 Å²	4	74.3 Å²	74.3	2%	0.021	39%	0.389	C	S	.	.	H	α-helix	trans	-67.4	-41.2	176.4	-59.6	163.5	0	0	0	110.7	C222 I223 E228 L229 E230 I284 F301 I308	C222-I226 WeakPolarHBondContact O-CG1 3.39Å; C222-I226 PolarHBondContact O-N 3.44Å; I223-I226 PolarHBondContact O-N 3.05Å; I223-I226 VanDerWaalsContact O-N 3.14Å; I226-E228 VanDerWaalsContact C-N 3.28Å; I226-E228 PolarHBondContact O-N 3.38Å; I226-L229 PolarHBondContact O-N 2.82Å; I226-E230 PolarHBondContact O-N 3.07Å; I226-I284 HydrophobicContact CB-CG2 4.12Å; I226-I284 HydrophobicContact CG2-CG2 3.29Å; I226-F301 HydrophobicContact CG2-CE1 3.98Å; I226-F301 HydrophobicContact CG2-CZ 4.27Å; I226-I308 HydrophobicContact CD1-CD1 4.41Å
227	I	65.2	Low	60.1	Low	61 Å²	61	76 Å²	76	31%	0.313	40%	0.402	S	S	.	.	H	α-helix	trans	-59.1	-43.2	174.2	-70.6	164.6	0	0	0	110	I223 K224 E230 S231 I284	I223-I227 HydrophobicContact CG2-CD1 3.65Å; I223-I227 HydrophobicContact CG2-CG1 3.97Å; I223-I227 WeakPolarHBondContact O-CB 3.33Å; I223-I227 WeakPolarHBondContact O-CG1 3.33Å; I223-I227 PolarHBondContact O-N 3.15Å; K224-I227 PolarHBondContact O-N 3.36Å; I227-E230 PolarHBondContact O-N 2.65Å; I227-S231 WeakPolarHBondContact O-CB 3.49Å; I227-S231 PolarHBondContact O-N 3.32Å; I227-I284 HydrophobicContact CD1-CD1 4.11Å; I227-I284 HydrophobicContact CG1-CD1 3.47Å; I227-I284 VanDerWaalsContact CG1-CD1 3.47Å
228	E	67.3	Low	59.9	Low	92 Å²	92	79 Å²	79	43%	0.43	40%	0.404	S	S	.	.	H	α-helix	trans	-70	-35.5	178.1	-162	-172.6	148.5	0	0	112.4	K224 N225 I226 S231 K232	K224-E228 WeakPolarHBondContact O-CB 3.24Å; K224-E228 PolarHBondContact O-N 3.29Å; N225-E228 PolarHBondContact O-N 3.03Å; I226-E228 VanDerWaalsContact C-N 3.28Å; I226-E228 PolarHBondContact O-N 3.38Å; E228-S231 WeakPolarHBondContact CA-OG 3.36Å; E228-S231 PolarHBondContact O-N 3.47Å; E228-S231 PolarHBondContact O-OG 3.04Å; E228-K232 WeakPolarHBondContact O-CB 3.43Å; E228-K232 VanDerWaalsContact O-CG 3.28Å; E228-K232 WeakPolarHBondContact O-CG 3.48Å; E228-K232 PolarHBondContact O-N 3.23Å; E228-K232 VanDerWaalsContact OE1-CE 3.31Å; E228-K232 WeakPolarHBondContact OE1-CE 3.45Å; E228-K232 IonicContact OE1-NZ 2.81Å; E228-K232 PolarHBondContact OE1-NZ 3.44Å
229	L	60.2	Low	59.8	Low	70 Å²	70	74.5 Å²	74.5	37%	0.366	39%	0.385	S	S	.	.	H	α-helix	trans	-67.3	-39.5	172.9	-74.8	168.9	0	0	0	111.4	N225 I226 K232 L233	N225-L229 WeakPolarHBondContact O-CB 3.49Å; N225-L229 VanDerWaalsContact O-CG 3.24Å; N225-L229 WeakPolarHBondContact O-CG 3.45Å; N225-L229 PolarHBondContact O-N 3.23Å; I226-L229 PolarHBondContact O-N 2.82Å; L229-K232 PolarHBondContact O-N 3.42Å; L229-L233 WeakPolarHBondContact O-CB 3.38Å; L229-L233 WeakPolarHBondContact O-CG 3.49Å; L229-L233 PolarHBondContact O-N 3.42Å
230	E	62.1	Low	59.8	Low	30 Å²	30	74.9 Å²	74.9	14%	0.14	39%	0.39	C	S	.	.	H	α-helix	trans	-68.4	-36	173.6	-81.7	-165.9	166.6	0	0	112.9	I226 I227 K232 L233 T234 R287	I226-E230 PolarHBondContact O-N 3.07Å; I227-E230 PolarHBondContact O-N 2.65Å; E230-K232 VanDerWaalsContact C-N 3.29Å; E230-L233 PolarHBondContact O-N 3.31Å; E230-T234 WeakPolarHBondContact O-CB 3.31Å; E230-T234 PolarHBondContact O-N 3.15Å; E230-T234 PolarHBondContact O-OG1 3.27Å; E230-R287 VanDerWaalsContact CD-CZ 3.49Å; E230-R287 IonicContact OE1-CZ 3.12Å; E230-R287 IonicContact OE1-NE 2.67Å; E230-R287 IonicContact OE1-NH1 2.8Å; E230-R287 PolarHBondContact OE1-NH1 3.14Å; E230-R287 IonicContact OE1-NH2 2.69Å; E230-R287 PolarHBondContact OE1-NH2 3.13Å; E230-R287 IonicContact OE2-CZ 2.7Å; E230-R287 IonicContact OE2-NH1 3.4Å; E230-R287 PolarHBondContact OE2-NH1 3.17Å; E230-R287 IonicContact OE2-NH2 3.09Å; E230-R287 PolarHBondContact OE2-NH2 2.81Å
231	S	65	Low	59.4	Low	46 Å²	46	77.7 Å²	77.7	32%	0.322	41%	0.41	S	S	.	.	H	α-helix	trans	-65.4	-36.6	173.7	73	0	0	0	0	111	I227 E228 T234 L235	I227-S231 WeakPolarHBondContact O-CB 3.49Å; I227-S231 PolarHBondContact O-N 3.32Å; E228-S231 WeakPolarHBondContact CA-OG 3.36Å; E228-S231 PolarHBondContact O-N 3.47Å; E228-S231 PolarHBondContact O-OG 3.04Å; S231-T234 VanDerWaalsContact CA-OG1 3.31Å; S231-T234 WeakPolarHBondContact CA-OG1 3.19Å; S231-T234 PolarHBondContact O-OG1 3.48Å; S231-L235 PolarHBondContact O-N 3.4Å
232	K	63.2	Low	58.9	Low	115 Å²	115	76.1 Å²	76.1	50%	0.5	40%	0.396	S	S	.	.	H	α-helix	trans	-68.6	-39.6	172.5	-71.8	171.1	-174.2	168.8	0	112.5	E228 L229 E230 L235 T236	E228-K232 WeakPolarHBondContact O-CB 3.43Å; E228-K232 VanDerWaalsContact O-CG 3.28Å; E228-K232 WeakPolarHBondContact O-CG 3.48Å; E228-K232 PolarHBondContact O-N 3.23Å; E228-K232 VanDerWaalsContact OE1-CE 3.31Å; E228-K232 WeakPolarHBondContact OE1-CE 3.45Å; E228-K232 IonicContact OE1-NZ 2.81Å; E228-K232 PolarHBondContact OE1-NZ 3.44Å; L229-K232 PolarHBondContact O-N 3.42Å; E230-K232 VanDerWaalsContact C-N 3.29Å; K232-L235 PolarHBondContact O-N 2.91Å; K232-T236 PolarHBondContact O-N 3.25Å
233	L	56.9	Low	58.5	Low	65 Å²	65	76.4 Å²	76.4	34%	0.34	40%	0.396	S	S	.	.	H	α-helix	trans	-66.7	-43.9	176.6	-83.7	155	0	0	0	112	L229 E230 L235 T236	L229-L233 WeakPolarHBondContact O-CB 3.38Å; L229-L233 WeakPolarHBondContact O-CG 3.49Å; L229-L233 PolarHBondContact O-N 3.42Å; E230-L233 PolarHBondContact O-N 3.31Å; L233-L235 PolarHBondContact O-N 2.83Å; L233-T236 PolarHBondContact O-N 3.37Å; L233-T236 VanDerWaalsContact O-N 3.13Å; L233-T236 PolarHBondContact O-OG1 3.17Å
234	T	58.6	Low	58.1	Low	60 Å²	60	80.2 Å²	80.2	37%	0.368	43%	0.428	S	S	.	.	H	α-helix	trans	-61	-32.1	175	40.6	0	0	0	0	112.4	E230 S231 F239 F277	E230-T234 WeakPolarHBondContact O-CB 3.31Å; E230-T234 PolarHBondContact O-N 3.15Å; E230-T234 PolarHBondContact O-OG1 3.27Å; S231-T234 VanDerWaalsContact CA-OG1 3.31Å; S231-T234 WeakPolarHBondContact CA-OG1 3.19Å; S231-T234 PolarHBondContact O-OG1 3.48Å; T234-F239 HydrophobicContact CG2-CE2 4.22Å; T234-F239 HydrophobicContact CG2-CZ 3.69Å; T234-F277 HydrophobicContact CG2-CD2 4.45Å
235	L	53.9	Low	57.5	Low	153 Å²	153	77.8 Å²	77.8	80%	0.801	43%	0.429	S	S	*	.	H	α-helix	trans	-72	-28	176.3	-136.4	112.3	0	0	0	113.9	S231 K232 L233 N237	S231-L235 PolarHBondContact O-N 3.4Å; K232-L235 PolarHBondContact O-N 2.91Å; L233-L235 PolarHBondContact O-N 2.83Å; L235-N237 VanDerWaalsContact C-N 3.32Å; L235-N237 PolarHBondContact O-N 3.04Å
236	T	55.4	Low	57.1	Low	83 Å²	83	74.3 Å²	74.3	51%	0.509	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.9	-174.7	53.9	0	0	0	0	114.3	K232 L233 K238	K232-T236 PolarHBondContact O-N 3.25Å; L233-T236 PolarHBondContact O-N 3.37Å; L233-T236 VanDerWaalsContact O-N 3.13Å; L233-T236 PolarHBondContact O-OG1 3.17Å; T236-K238 PolarHBondContact O-N 2.85Å
237	N	49.7	Very low	56.7	Low	113 Å²	113	77.9 Å²	77.9	60%	0.604	43%	0.433	S	S	*	.			trans	50	3.7	-178	-109	-23.5	0	0	0	115.9	L235 F239	L235-N237 VanDerWaalsContact C-N 3.32Å; L235-N237 PolarHBondContact O-N 3.04Å; N237-F239 VanDerWaalsContact C-N 3.31Å; N237-F239 PolarHBondContact O-N 3.12Å
238	K	50.1	Low	56.3	Low	174 Å²	174	79.5 Å²	79.5	76%	0.757	45%	0.447	S	S	*	.			trans	-93.3	69.9	176.9	-73.5	-175.2	179.6	-178	0	108.3	T236 P240	T236-K238 PolarHBondContact O-N 2.85Å; K238-P240 VanDerWaalsContact O-CD 3.25Å; K238-P240 WeakPolarHBondContact O-CD 3.48Å
239	F	51.4	Low	56	Low	60 Å²	60	75.5 Å²	75.5	26%	0.263	43%	0.43	S	S	.	.			trans	-79.1	115.5	166.7	-79.4	-76.2	0	0	0	108.4	T234 N237 L243 F277	T234-F239 HydrophobicContact CG2-CE2 4.22Å; T234-F239 HydrophobicContact CG2-CZ 3.69Å; N237-F239 VanDerWaalsContact C-N 3.31Å; N237-F239 PolarHBondContact O-N 3.12Å; F239-L243 HydrophobicContact CD1-CB 3.69Å; F239-L243 HydrophobicContact CD1-CD1 3.42Å; F239-L243 VanDerWaalsContact CD1-CD1 3.42Å; F239-L243 HydrophobicContact CD1-CG 4.15Å; F239-L243 HydrophobicContact CE1-CB 4.45Å; F239-L243 HydrophobicContact CE1-CD1 3.78Å; F239-F277 HydrophobicContact CD1-CE2 4.09Å; F239-F277 HydrophobicContact CD1-CZ 4.5Å; F239-F277 HydrophobicContact CE1-CD2 4.36Å; F239-F277 AromaticContact CE1-CE2 3.45Å; F239-F277 HydrophobicContact CE1-CE2 3.45Å; F239-F277 VanDerWaalsContact CE1-CE2 3.45Å; F239-F277 HydrophobicContact CE1-CZ 4.23Å; F239-F277 HydrophobicContact CZ-CD2 4.37Å; F239-F277 AromaticContact CZ-CE2 3.76Å; F239-F277 HydrophobicContact CZ-CE2 3.76Å
240	P	53	Low	55.8	Low	57 Å²	57	75.6 Å²	75.6	37%	0.37	44%	0.436	S	S	.	.			trans	-56.4	142.3	163.6	25	-34	0	0	0	108.3	K238 F242 L243	K238-P240 VanDerWaalsContact O-CD 3.25Å; K238-P240 WeakPolarHBondContact O-CD 3.48Å; P240-F242 HydrophobicContact CB-CD1 3.79Å; P240-F242 HydrophobicContact CB-CE1 4.21Å; P240-F242 HydrophobicContact CG-CD1 3.52Å; P240-F242 HydrophobicContact CG-CE1 3.45Å; P240-F242 VanDerWaalsContact CG-CE1 3.45Å; P240-F242 PolarHBondContact O-N 3.37Å; P240-L243 HydrophobicContact CG-CD1 4.2Å; P240-L243 PolarHBondContact O-N 3.28Å
241	P	51.9	Low	55.5	Low	120 Å²	120	77 Å²	77	78%	0.779	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-55.7	-19.6	-171.5	18.2	-30.7	0	0	0	113.6	L243 A244	P241-L243 VanDerWaalsContact C-N 3.27Å; P241-L243 PolarHBondContact O-N 3.4Å; P241-A244 WeakPolarHBondContact O-CB 3.44Å; P241-A244 PolarHBondContact O-N 3.05Å
242	F	51.1	Low	54.9	Low	42 Å²	42	79.5 Å²	79.5	18%	0.184	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-65.3	-24.2	176.2	101.1	-98.1	0	0	0	113.8	P240 A244 S245 V291	P240-F242 HydrophobicContact CB-CD1 3.79Å; P240-F242 HydrophobicContact CB-CE1 4.21Å; P240-F242 HydrophobicContact CG-CD1 3.52Å; P240-F242 HydrophobicContact CG-CE1 3.45Å; P240-F242 VanDerWaalsContact CG-CE1 3.45Å; P240-F242 PolarHBondContact O-N 3.37Å; F242-A244 VanDerWaalsContact C-N 3.27Å; F242-A244 PolarHBondContact O-N 2.86Å; F242-S245 PolarHBondContact O-N 3.34Å; F242-S245 PolarHBondContact O-OG 3.08Å; F242-V291 HydrophobicContact CE1-CG1 4.28Å; F242-V291 HydrophobicContact CE2-CB 4.01Å; F242-V291 HydrophobicContact CE2-CG1 4.26Å; F242-V291 HydrophobicContact CE2-CG2 3.73Å; F242-V291 HydrophobicContact CZ-CB 3.74Å; F242-V291 HydrophobicContact CZ-CG1 3.55Å; F242-V291 HydrophobicContact CZ-CG2 3.45Å; F242-V291 VanDerWaalsContact CZ-CG2 3.45Å
243	L	53	Low	54.2	Low	23 Å²	23	79.2 Å²	79.2	12%	0.12	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-77.4	-15.1	178.4	-79.1	170	0	0	0	112.7	F239 P240 P241 S245 V246 F277 V291	F239-L243 HydrophobicContact CD1-CB 3.69Å; F239-L243 HydrophobicContact CD1-CD1 3.42Å; F239-L243 VanDerWaalsContact CD1-CD1 3.42Å; F239-L243 HydrophobicContact CD1-CG 4.15Å; F239-L243 HydrophobicContact CE1-CB 4.45Å; F239-L243 HydrophobicContact CE1-CD1 3.78Å; P240-L243 HydrophobicContact CG-CD1 4.2Å; P240-L243 PolarHBondContact O-N 3.28Å; P241-L243 VanDerWaalsContact C-N 3.27Å; P241-L243 PolarHBondContact O-N 3.4Å; L243-S245 VanDerWaalsContact C-N 3.28Å; L243-S245 PolarHBondContact O-N 3.04Å; L243-V246 HydrophobicContact CD2-CG2 3.77Å; L243-V246 WeakPolarHBondContact O-CB 3.12Å; L243-V246 VanDerWaalsContact O-CG2 3.26Å; L243-V246 WeakPolarHBondContact O-CG2 3.41Å; L243-F277 HydrophobicContact CB-CZ 4.1Å; L243-F277 WeakPolarHBondContact O-CZ 3.42Å; L243-V291 HydrophobicContact CD2-CG2 4.26Å
244	A	54	Low	53.7	Low	87 Å²	87	83.9 Å²	83.9	72%	0.719	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-72.9	-20	170.8	0	0	0	0	0	112.9	P241 F242 V246	P241-A244 WeakPolarHBondContact O-CB 3.44Å; P241-A244 PolarHBondContact O-N 3.05Å; F242-A244 VanDerWaalsContact C-N 3.27Å; F242-A244 PolarHBondContact O-N 2.86Å; A244-V246 VanDerWaalsContact C-N 3.32Å
245	S	56.6	Low	53.2	Low	87 Å²	87	85 Å²	85	61%	0.608	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-92.3	11	178.6	69.8	0	0	0	0	113.8	F242 L243 T247	F242-S245 PolarHBondContact O-N 3.34Å; F242-S245 PolarHBondContact O-OG 3.08Å; L243-S245 VanDerWaalsContact C-N 3.28Å; L243-S245 PolarHBondContact O-N 3.04Å; S245-T247 PolarHBondContact O-N 2.79Å
246	V	57.2	Low	52.9	Low	19 Å²	19	82 Å²	82	12%	0.115	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-69.2	131	178.7	166.3	0	0	0	0	109.5	L243 A244 F277 R287	L243-V246 HydrophobicContact CD2-CG2 3.77Å; L243-V246 WeakPolarHBondContact O-CB 3.12Å; L243-V246 VanDerWaalsContact O-CG2 3.26Å; L243-V246 WeakPolarHBondContact O-CG2 3.41Å; A244-V246 VanDerWaalsContact C-N 3.32Å; V246-F277 HydrophobicContact CB-CE1 3.93Å; V246-F277 HydrophobicContact CG1-CD1 4.31Å; V246-F277 HydrophobicContact CG1-CE1 3.97Å; V246-F277 HydrophobicContact CG2-CE1 4.14Å; V246-R287 HydrophobicContact CG1-CG 3.37Å
247	T	54.5	Low	52.5	Low	79 Å²	79	84.5 Å²	84.5	49%	0.485	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-52.4	133.6	177.5	30	0	0	0	0	110.7	S245 Q290	S245-T247 PolarHBondContact O-N 2.79Å; T247-Q290 PolarHBondContact OG1-NE2 2.88Å
248	P	56.7	Low	52.4	Low	94 Å²	94	88.4 Å²	88.4	61%	0.61	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-51.6	149.8	174.8	-22.5	31.7	0	0	0	110.6	S250	P248-S250 PolarHBondContact O-N 3.41Å; P248-S250 VanDerWaalsContact O-N 3.13Å
249	C	61.2	Low	52	Low	9 Å²	9	84 Å²	84	6%	0.061	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-49.4	120.1	171.7	177.5	0	0	0	0	110.9	Y251 Q252 E253 C278 H280 C283	C249-Y251 PolarHBondContact O-N 2.91Å; C249-Y251 VanDerWaalsContact O-N 3.13Å; C249-Y251 VanDerWaalsContact SG-CB 3.54Å; C249-Y251 PolarHBondContact SG-N 3.45Å; C249-Y251 VanDerWaalsContact SG-N 3.36Å; C249-Q252 HydrophobicContact CB-CB 3.59Å; C249-Q252 WeakPolarHBondContact O-CA 3.01Å; C249-Q252 WeakPolarHBondContact O-CB 3.3Å; C249-Q252 PolarHBondContact O-N 3.48Å; C249-Q252 PolarHBondContact SG-N 2.86Å; C249-Q252 VanDerWaalsContact SG-N 3.39Å; C249-E253 PolarHBondContact O-N 2.89Å; C249-C278 HydrophobicContact CB-CB 3.66Å; C249-C278 WeakPolarHBondContact CB-SG 3.46Å; C249-C278 WeakPolarHBondContact SG-CB 3.3Å; C249-H280 PolarHBondContact SG-CE1 2.89Å; C249-H280 PolarHBondContact SG-ND1 3.36Å; C249-C283 PolarHBondContact SG-SG 3.38Å
250	S	56.6	Low	51.2	Low	72 Å²	72	87.5 Å²	87.5	50%	0.503	49%	0.486	S	S	.	.	H	α-helix	trans	-62.9	-20.8	175.9	-169.5	0	0	0	0	112.8	P248	P248-S250 PolarHBondContact O-N 3.41Å; P248-S250 VanDerWaalsContact O-N 3.13Å
251	Y	55.4	Low	50.4	Low	59 Å²	59	92.2 Å²	92.2	23%	0.231	51%	0.507	C	S	.	.	H	α-helix	trans	-76.5	-24.9	169.9	-79	-94.6	0	0	0	113.3	C249 R254 T255 H280	C249-Y251 PolarHBondContact O-N 2.91Å; C249-Y251 VanDerWaalsContact O-N 3.13Å; C249-Y251 VanDerWaalsContact SG-CB 3.54Å; C249-Y251 PolarHBondContact SG-N 3.45Å; C249-Y251 VanDerWaalsContact SG-N 3.36Å; Y251-R254 PolarHBondContact O-N 3.47Å; Y251-T255 PolarHBondContact O-N 2.88Å; Y251-H280 VanDerWaalsContact CB-CE1 3.47Å; Y251-H280 WeakPolarHBondContact CB-CE1 3.45Å
252	Q	52.7	Low	49.4	Very low	99 Å²	99	91.8 Å²	91.8	46%	0.463	51%	0.507	S	S	.	.	H	α-helix	trans	-79.8	-33.2	178.2	-155.5	132.3	10.1	0	0	111.2	C249 R254 T255 D256	C249-Q252 HydrophobicContact CB-CB 3.59Å; C249-Q252 WeakPolarHBondContact O-CA 3.01Å; C249-Q252 WeakPolarHBondContact O-CB 3.3Å; C249-Q252 PolarHBondContact O-N 3.48Å; C249-Q252 PolarHBondContact SG-N 2.86Å; C249-Q252 VanDerWaalsContact SG-N 3.39Å; Q252-R254 PolarHBondContact O-N 3.13Å; Q252-T255 WeakPolarHBondContact CA-OG1 3.44Å; Q252-T255 PolarHBondContact O-N 3.26Å; Q252-T255 VanDerWaalsContact O-N 3.08Å; Q252-T255 PolarHBondContact O-OG1 3.09Å; Q252-D256 PolarHBondContact O-N 3.49Å
253	E	47.6	Very low	48.4	Very low	108 Å²	108	97.6 Å²	97.6	51%	0.505	54%	0.539	S	S	.	.	H	α-helix	trans	-57.1	-31.6	166.4	-72.8	-177.1	159.8	0	0	112	C249 L257	C249-E253 PolarHBondContact O-N 2.89Å; E253-L257 WeakPolarHBondContact O-CB 3.42Å; E253-L257 WeakPolarHBondContact O-CD1 3.43Å; E253-L257 PolarHBondContact O-N 2.96Å
254	R	46.7	Very low	47.3	Very low	163 Å²	163	103.4 Å²	103.4	62%	0.615	57%	0.57	S	S	*	*	H	α-helix	trans	-79	-23.1	176.9	-76	-170.2	-167.7	159	6.7	114.7	Y251 Q252	Y251-R254 PolarHBondContact O-N 3.47Å; Q252-R254 PolarHBondContact O-N 3.13Å
255	T	49.5	Very low	46.5	Very low	83 Å²	83	108.5 Å²	108.5	51%	0.509	58%	0.579	S	S	.	*	H	α-helix	trans	-84.7	-35.5	174.9	48.7	0	0	0	0	111.4	Y251 Q252 K258	Y251-T255 PolarHBondContact O-N 2.88Å; Q252-T255 WeakPolarHBondContact CA-OG1 3.44Å; Q252-T255 PolarHBondContact O-N 3.26Å; Q252-T255 VanDerWaalsContact O-N 3.08Å; Q252-T255 PolarHBondContact O-OG1 3.09Å; T255-K258 PolarHBondContact O-N 3.24Å
256	D	45.7	Very low	45.1	Very low	92 Å²	92	113.8 Å²	113.8	49%	0.492	59%	0.591	S	S	.	*	H	α-helix	trans	-73.5	-32.5	-177.8	-60	-20	0	0	0	111.4	Q252 K258 S259	Q252-D256 PolarHBondContact O-N 3.49Å; D256-K258 PolarHBondContact O-N 3.04Å; D256-S259 PolarHBondContact O-N 3.1Å; D256-S259 PolarHBondContact O-OG 2.83Å
257	L	47.8	Very low	43.8	Very low	134 Å²	134	120 Å²	120	70%	0.702	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-4.9	173.6	-84	159.4	0	0	0	114.7	E253	E253-L257 WeakPolarHBondContact O-CB 3.42Å; E253-L257 WeakPolarHBondContact O-CD1 3.43Å; E253-L257 PolarHBondContact O-N 2.96Å
258	K	47.2	Very low	42.7	Very low	196 Å²	196	124.1 Å²	124.1	85%	0.852	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	-6	174.7	-94.6	-176.2	175.6	-177.8	0	114	T255 D256	T255-K258 PolarHBondContact O-N 3.24Å; D256-K258 PolarHBondContact O-N 3.04Å
259	S	42.2	Very low	41.4	Very low	80 Å²	80	130.4 Å²	130.4	56%	0.559	66%	0.655	S	S	*	*			trans	-106.1	12.3	-178	49.2	0	0	0	0	114.9	D256 L261	D256-S259 PolarHBondContact O-N 3.1Å; D256-S259 PolarHBondContact O-OG 2.83Å; S259-L261 PolarHBondContact O-N 3.04Å
260	D	34.5	Very low	39.7	Very low	135 Å²	135	137.7 Å²	137.7	72%	0.722	69%	0.693	S	S	*	*			trans	-74.9	66.5	172.6	-73.8	-31.8	0	0	0	111.8
261	L	37	Very low	38.7	Very low	155 Å²	155	138.1 Å²	138.1	81%	0.812	70%	0.696	S	S	*	*	S	Bend	trans	-122.1	116.2	146.9	-108.6	96.7	0	0	0	107.7	S259	S259-L261 PolarHBondContact O-N 3.04Å
262	S	30.8	Very low	37.8	Very low	111 Å²	111	141.1 Å²	141.1	78%	0.776	73%	0.726	S	S	*	*			trans	79.5	85.8	155.2	-38.7	0	0	0	0	116.5	N264	S262-N264 PolarHBondContact O-N 3.45Å; S262-N264 VanDerWaalsContact O-N 3.14Å
263	L	30	Very low	37	Very low	165 Å²	165	143.7 Å²	143.7	86%	0.864	74%	0.737	S	S	*	*			trans	-47.9	110.2	144.6	-137	94.6	0	0	0	109.4
264	N	29.1	Very low	36.8	Very low	145 Å²	145	141.8 Å²	141.8	78%	0.775	73%	0.734	S	S	*	*			trans	162.6	89.9	142.3	-93.9	-49.7	0	0	0	109.8	S262	S262-N264 PolarHBondContact O-N 3.45Å; S262-N264 VanDerWaalsContact O-N 3.14Å
265	Q	37.1	Very low	36.8	Very low	194 Å²	194	144.8 Å²	144.8	91%	0.907	75%	0.746	S	S	*	*				-164.4	115.7	128.7	-106.2	157.9	10.6	0	0	108.5
266	K	28.6	Very low	37.2	Very low	197 Å²	197	148.9 Å²	148.9	86%	0.857	76%	0.759	S	S	*	*			trans	-37.6	135.8	155.2	-81	166.2	164.3	171.5	0	109
267	D	30	Very low	38	Very low	151 Å²	151	147 Å²	147	81%	0.807	75%	0.747	S	S	*	*				-157.7	129.6	121.3	-97.2	-30.4	0	0	0	111.4	R269	D267-R269 PolarHBondContact O-N 2.76Å
268	N	30.2	Very low	39.3	Very low	165 Å²	165	141.4 Å²	141.4	88%	0.882	72%	0.719	S	S	*	*			trans	-50	115.6	168.6	-82.8	-48.5	0	0	0	109.8
269	R	30	Very low	40.3	Very low	226 Å²	226	142 Å²	142	85%	0.853	72%	0.716	S	S	*	*			trans	-122.9	95.1	154	-84.7	-174.2	-93.4	-167.8	-5.9	108.2	D267 S271	D267-R269 PolarHBondContact O-N 2.76Å; R269-S271 PolarHBondContact O-N 3.15Å
270	D	25.7	Very low	41.6	Very low	161 Å²	161	141.8 Å²	141.8	86%	0.861	71%	0.706	S	S	*	*			trans	-60	110.1	151.6	-177.1	20.3	0	0	0	107
271	S	35.7	Very low	43.1	Very low	82 Å²	82	135.9 Å²	135.9	57%	0.573	68%	0.677	S	S	*	*			trans	-160.1	101	174	-67.9	0	0	0	0	108.2	R269 E273	R269-S271 PolarHBondContact O-N 3.15Å; S271-E273 VanDerWaalsContact C-N 3.26Å; S271-E273 PolarHBondContact O-N 3.06Å
272	S	35.8	Very low	44.4	Very low	122 Å²	122	132.7 Å²	132.7	85%	0.853	66%	0.658	S	S	*	*			trans	-50.2	85.3	158.4	51.8	0	0	0	0	111.2
273	E	36.9	Very low	46.1	Very low	152 Å²	152	128 Å²	128	71%	0.71	63%	0.625	S	S	*	*			trans	-127	125.5	166.6	-89.3	-169.2	132.5	0	0	110.2	S271 R275	S271-E273 VanDerWaalsContact C-N 3.26Å; S271-E273 PolarHBondContact O-N 3.06Å; E273-R275 PolarHBondContact O-N 2.72Å
274	P	41.9	Very low	48	Very low	68 Å²	68	120.2 Å²	120.2	44%	0.442	58%	0.584	S	S	.	*			trans	-62.2	130.7	178.2	26.4	-32.4	0	0	0	108.8	Q276	P274-Q276 PolarHBondContact O-N 3.04Å
275	R	47.3	Very low	49.9	Very low	226 Å²	226	115.9 Å²	115.9	85%	0.853	56%	0.561	S	S	*	*			trans	-49.8	107.3	178	-66.2	-176	-170.8	-140.4	1	109.1	E273 F277	E273-R275 PolarHBondContact O-N 2.72Å; R275-F277 PolarHBondContact O-N 3.37Å
276	Q	58.7	Low	51.4	Low	169 Å²	169	110.4 Å²	110.4	79%	0.79	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-66.8	122.2	177.1	-68.9	-171.4	0.1	0	0	108.3	P274	P274-Q276 PolarHBondContact O-N 3.04Å
277	F	62.3	Low	53.3	Low	52 Å²	52	101.6 Å²	101.6	23%	0.228	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-70.4	146.4	175.7	-64.1	-80.3	0	0	0	111.6	T234 F239 L243 V246 R275 R279	T234-F277 HydrophobicContact CG2-CD2 4.45Å; F239-F277 HydrophobicContact CD1-CE2 4.09Å; F239-F277 HydrophobicContact CD1-CZ 4.5Å; F239-F277 HydrophobicContact CE1-CD2 4.36Å; F239-F277 AromaticContact CE1-CE2 3.45Å; F239-F277 HydrophobicContact CE1-CE2 3.45Å; F239-F277 VanDerWaalsContact CE1-CE2 3.45Å; F239-F277 HydrophobicContact CE1-CZ 4.23Å; F239-F277 HydrophobicContact CZ-CD2 4.37Å; F239-F277 AromaticContact CZ-CE2 3.76Å; F239-F277 HydrophobicContact CZ-CE2 3.76Å; L243-F277 HydrophobicContact CB-CZ 4.1Å; L243-F277 WeakPolarHBondContact O-CZ 3.42Å; V246-F277 HydrophobicContact CB-CE1 3.93Å; V246-F277 HydrophobicContact CG1-CD1 4.31Å; V246-F277 HydrophobicContact CG1-CE1 3.97Å; V246-F277 HydrophobicContact CG2-CE1 4.14Å; R275-F277 PolarHBondContact O-N 3.37Å; F277-R279 PolarHBondContact O-N 3.13Å
278	C	74	Confident	54.9	Low	18 Å²	18	95.2 Å²	95.2	12%	0.122	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-57.4	132.7	171.8	45	0	0	0	0	112.1	C249 H280 C283 R287	C249-C278 HydrophobicContact CB-CB 3.66Å; C249-C278 WeakPolarHBondContact CB-SG 3.46Å; C249-C278 WeakPolarHBondContact SG-CB 3.3Å; C278-H280 WeakPolarHBondContact CB-ND1 3.31Å; C278-H280 PolarHBondContact O-N 3.21Å; C278-C283 HydrophobicContact CB-CB 4.09Å; C278-C283 WeakPolarHBondContact CB-SG 3.28Å; C278-C283 WeakPolarHBondContact SG-CB 3.19Å; C278-C283 CovalentContact SG-SG 2.06Å; C278-C283 PolarHBondContact SG-SG 3.17Å; C278-R287 PolarHBondContact O-NH2 2.88Å
279	R	68	Low	56.4	Low	207 Å²	207	90.5 Å²	90.5	78%	0.781	44%	0.44	S	S	*	.			trans	-79.2	12.8	173.9	-64.3	-171.7	173.9	-155.8	-0.8	114	F277 G281	F277-R279 PolarHBondContact O-N 3.13Å; R279-G281 PolarHBondContact O-N 2.77Å
280	H	70.4	Confident	57.8	Low	77 Å²	77	82.5 Å²	82.5	36%	0.356	41%	0.412	S	S	.	.			trans	-67.7	135.5	178	-56.6	122	0	0	0	110.2	C249 Y251 C278 E282 C283 I284	C249-H280 PolarHBondContact SG-CE1 2.89Å; C249-H280 PolarHBondContact SG-ND1 3.36Å; Y251-H280 VanDerWaalsContact CB-CE1 3.47Å; Y251-H280 WeakPolarHBondContact CB-CE1 3.45Å; C278-H280 WeakPolarHBondContact CB-ND1 3.31Å; C278-H280 PolarHBondContact O-N 3.21Å; H280-E282 VanDerWaalsContact C-N 3.28Å; H280-E282 PolarHBondContact O-N 3.02Å; H280-C283 HydrophobicContact CB-CB 3.98Å; H280-C283 WeakPolarHBondContact O-CA 3.19Å; H280-C283 VanDerWaalsContact O-CB 3.26Å; H280-C283 WeakPolarHBondContact O-CB 3.38Å; H280-C283 PolarHBondContact O-N 3.07Å; H280-I284 WeakPolarHBondContact O-CD1 3.49Å; H280-I284 VanDerWaalsContact O-CG1 3.31Å; H280-I284 WeakPolarHBondContact O-CG1 3.29Å; H280-I284 PolarHBondContact O-N 3.02Å
281	G	64.6	Low	59.3	Low	11 Å²	11	75.7 Å²	75.7	11%	0.113	38%	0.376	C	S	.	.	H	α-helix	trans	-53.1	-46	179.7	0	0	0	0	0	113.6	W215 R279 I284 L285	W215-G281 WeakPolarHBondContact CH2-O 3.14Å; W215-G281 WeakPolarHBondContact CZ2-O 3.2Å; R279-G281 PolarHBondContact O-N 2.77Å; G281-I284 PolarHBondContact O-N 3.5Å; G281-L285 PolarHBondContact O-N 3.5Å; G281-L285 VanDerWaalsContact O-N 3.07Å
282	E	64.8	Low	60.1	Low	88 Å²	88	76 Å²	76	41%	0.411	37%	0.365	S	S	.	.	H	α-helix	trans	-65.2	-39.3	175.7	-66.4	-170.4	151.4	0	0	112.7	H280 I284 L285 I286	H280-E282 VanDerWaalsContact C-N 3.28Å; H280-E282 PolarHBondContact O-N 3.02Å; E282-I284 VanDerWaalsContact C-N 3.33Å; E282-I284 PolarHBondContact O-N 3.37Å; E282-L285 PolarHBondContact O-N 3.35Å; E282-I286 WeakPolarHBondContact O-CB 3.35Å; E282-I286 VanDerWaalsContact O-CG1 3.24Å; E282-I286 WeakPolarHBondContact O-CG1 3.18Å; E282-I286 PolarHBondContact O-N 3.23Å
283	C	68.1	Low	60.9	Low	12 Å²	12	79.1 Å²	79.1	8%	0.081	36%	0.363	C	S	.	.	H	α-helix	trans	-58.4	-46.7	173.9	-80.4	0	0	0	0	111.6	C249 C278 H280 L285 I286 R287	C249-C283 PolarHBondContact SG-SG 3.38Å; C278-C283 HydrophobicContact CB-CB 4.09Å; C278-C283 WeakPolarHBondContact CB-SG 3.28Å; C278-C283 WeakPolarHBondContact SG-CB 3.19Å; C278-C283 CovalentContact SG-SG 2.06Å; C278-C283 PolarHBondContact SG-SG 3.17Å; H280-C283 HydrophobicContact CB-CB 3.98Å; H280-C283 WeakPolarHBondContact O-CA 3.19Å; H280-C283 VanDerWaalsContact O-CB 3.26Å; H280-C283 WeakPolarHBondContact O-CB 3.38Å; H280-C283 PolarHBondContact O-N 3.07Å; C283-L285 VanDerWaalsContact C-N 3.32Å; C283-I286 PolarHBondContact O-N 2.83Å; C283-R287 WeakPolarHBondContact O-CB 3.41Å; C283-R287 WeakPolarHBondContact O-CG 3.5Å; C283-R287 PolarHBondContact O-N 2.91Å; C283-R287 PolarHBondContact O-NE 3.19Å
284	I	69.4	Low	61.6	Low	2 Å²	2	77.6 Å²	77.6	1%	0.01	36%	0.36	C	S	.	.	H	α-helix	trans	-63.4	-43.4	-177.4	-66	156.8	0	0	0	109.8	I226 I227 H280 G281 E282 R287 S288	I226-I284 HydrophobicContact CB-CG2 4.12Å; I226-I284 HydrophobicContact CG2-CG2 3.29Å; I227-I284 HydrophobicContact CD1-CD1 4.11Å; I227-I284 HydrophobicContact CG1-CD1 3.47Å; I227-I284 VanDerWaalsContact CG1-CD1 3.47Å; H280-I284 WeakPolarHBondContact O-CD1 3.49Å; H280-I284 VanDerWaalsContact O-CG1 3.31Å; H280-I284 WeakPolarHBondContact O-CG1 3.29Å; H280-I284 PolarHBondContact O-N 3.02Å; G281-I284 PolarHBondContact O-N 3.5Å; E282-I284 VanDerWaalsContact C-N 3.33Å; E282-I284 PolarHBondContact O-N 3.37Å; I284-R287 PolarHBondContact O-N 3.29Å; I284-S288 WeakPolarHBondContact O-CB 3.37Å; I284-S288 PolarHBondContact O-N 3.34Å; I284-S288 PolarHBondContact O-OG 3.04Å
285	L	68.4	Low	61.9	Low	54 Å²	54	76.2 Å²	76.2	28%	0.283	35%	0.352	S	S	.	.	H	α-helix	trans	-59.5	-54	172.4	-103.1	137.2	0	0	0	110.9	W215 G281 E282 C283 R287 S288 L289	W215-L285 HydrophobicContact CH2-CD1 3.96Å; W215-L285 HydrophobicContact CZ2-CD1 3.61Å; G281-L285 PolarHBondContact O-N 3.5Å; G281-L285 VanDerWaalsContact O-N 3.07Å; E282-L285 PolarHBondContact O-N 3.35Å; C283-L285 VanDerWaalsContact C-N 3.32Å; L285-R287 VanDerWaalsContact C-N 3.27Å; L285-R287 PolarHBondContact O-N 3.38Å; L285-S288 WeakPolarHBondContact CA-OG 3.23Å; L285-S288 PolarHBondContact O-N 3.22Å; L285-S288 VanDerWaalsContact O-N 3.15Å; L285-S288 PolarHBondContact O-OG 3.49Å; L285-L289 VanDerWaalsContact O-CG 3.23Å; L285-L289 WeakPolarHBondContact O-CG 3.38Å; L285-L289 PolarHBondContact O-N 2.82Å
286	I	67.6	Low	61.7	Low	79 Å²	79	73.9 Å²	73.9	41%	0.405	36%	0.356	S	S	.	.	H	α-helix	trans	-57.2	-40.3	179.9	-68.5	165.4	0	0	0	112	E282 C283 L289 Q290	E282-I286 WeakPolarHBondContact O-CB 3.35Å; E282-I286 VanDerWaalsContact O-CG1 3.24Å; E282-I286 WeakPolarHBondContact O-CG1 3.18Å; E282-I286 PolarHBondContact O-N 3.23Å; C283-I286 PolarHBondContact O-N 2.83Å; I286-L289 WeakPolarHBondContact O-CB 3.25Å; I286-L289 PolarHBondContact O-N 3.41Å; I286-Q290 PolarHBondContact O-N 3.27Å
287	R	68.9	Low	61	Low	11 Å²	11	72 Å²	72	4%	0.042	35%	0.351	C	S	.	.	H	α-helix	trans	-64.6	-46.8	177.5	-75.2	-174.4	-69.5	125.3	-0.6	112.1	E230 V246 C278 C283 I284 L285 L289 Q290 V291	E230-R287 VanDerWaalsContact CD-CZ 3.49Å; E230-R287 IonicContact OE1-CZ 3.12Å; E230-R287 IonicContact OE1-NE 2.67Å; E230-R287 IonicContact OE1-NH1 2.8Å; E230-R287 PolarHBondContact OE1-NH1 3.14Å; E230-R287 IonicContact OE1-NH2 2.69Å; E230-R287 PolarHBondContact OE1-NH2 3.13Å; E230-R287 IonicContact OE2-CZ 2.7Å; E230-R287 IonicContact OE2-NH1 3.4Å; E230-R287 PolarHBondContact OE2-NH1 3.17Å; E230-R287 IonicContact OE2-NH2 3.09Å; E230-R287 PolarHBondContact OE2-NH2 2.81Å; V246-R287 HydrophobicContact CG1-CG 3.37Å; C278-R287 PolarHBondContact O-NH2 2.88Å; C283-R287 WeakPolarHBondContact O-CB 3.41Å; C283-R287 WeakPolarHBondContact O-CG 3.5Å; C283-R287 PolarHBondContact O-N 2.91Å; C283-R287 PolarHBondContact O-NE 3.19Å; I284-R287 PolarHBondContact O-N 3.29Å; L285-R287 VanDerWaalsContact C-N 3.27Å; L285-R287 PolarHBondContact O-N 3.38Å; R287-L289 PolarHBondContact O-N 3.02Å; R287-Q290 PolarHBondContact O-N 3.15Å; R287-Q290 VanDerWaalsContact O-N 3.12Å; R287-V291 VanDerWaalsContact O-CG2 3.26Å; R287-V291 WeakPolarHBondContact O-CG2 3.13Å; R287-V291 PolarHBondContact O-N 3.43Å
288	S	63.2	Low	60.1	Low	18 Å²	18	72.2 Å²	72.2	13%	0.126	36%	0.358	C	S	.	.	H	α-helix	trans	-63.9	-28.1	175.3	48.3	0	0	0	0	113	I284 L285	I284-S288 WeakPolarHBondContact O-CB 3.37Å; I284-S288 PolarHBondContact O-N 3.34Å; I284-S288 PolarHBondContact O-OG 3.04Å; L285-S288 WeakPolarHBondContact CA-OG 3.23Å; L285-S288 PolarHBondContact O-N 3.22Å; L285-S288 VanDerWaalsContact O-N 3.15Å; L285-S288 PolarHBondContact O-OG 3.49Å
289	L	62.2	Low	58.7	Low	66 Å²	66	79 Å²	79	35%	0.346	38%	0.382	S	S	.	.	H	α-helix	trans	-70.8	-40.3	170.1	-62.5	-173.1	0	0	0	113.4	L285 I286 R287 R292 Y324	L285-L289 VanDerWaalsContact O-CG 3.23Å; L285-L289 WeakPolarHBondContact O-CG 3.38Å; L285-L289 PolarHBondContact O-N 2.82Å; I286-L289 WeakPolarHBondContact O-CB 3.25Å; I286-L289 PolarHBondContact O-N 3.41Å; R287-L289 PolarHBondContact O-N 3.02Å; L289-R292 WeakPolarHBondContact O-CB 3.17Å; L289-R292 PolarHBondContact O-N 3.42Å; L289-Y324 HydrophobicContact CD1-CE2 4.19Å; L289-Y324 HydrophobicContact CD2-CE2 3.9Å; L289-Y324 WeakPolarHBondContact CD2-OH 3.42Å
290	Q	61	Low	57.6	Low	58 Å²	58	74.9 Å²	74.9	27%	0.271	38%	0.376	S	S	.	.	H	α-helix	trans	-66.4	-34.9	179.9	-83.4	173.1	-20.5	0	0	112.6	T247 I286 R287 R292 K293	T247-Q290 PolarHBondContact OG1-NE2 2.88Å; I286-Q290 PolarHBondContact O-N 3.27Å; R287-Q290 PolarHBondContact O-N 3.15Å; R287-Q290 VanDerWaalsContact O-N 3.12Å; Q290-R292 PolarHBondContact O-N 2.84Å; Q290-K293 PolarHBondContact O-N 3.36Å
291	V	57.3	Low	56.5	Low	18 Å²	18	73.1 Å²	73.1	11%	0.109	37%	0.367	C	S	.	.	H	α-helix	trans	-56.1	-35.1	174.4	-176.5	0	0	0	0	111.9	F242 L243 R287 K293 N294 S295	F242-V291 HydrophobicContact CE1-CG1 4.28Å; F242-V291 HydrophobicContact CE2-CB 4.01Å; F242-V291 HydrophobicContact CE2-CG1 4.26Å; F242-V291 HydrophobicContact CE2-CG2 3.73Å; F242-V291 HydrophobicContact CZ-CB 3.74Å; F242-V291 HydrophobicContact CZ-CG1 3.55Å; F242-V291 HydrophobicContact CZ-CG2 3.45Å; F242-V291 VanDerWaalsContact CZ-CG2 3.45Å; L243-V291 HydrophobicContact CD2-CG2 4.26Å; R287-V291 VanDerWaalsContact O-CG2 3.26Å; R287-V291 WeakPolarHBondContact O-CG2 3.13Å; R287-V291 PolarHBondContact O-N 3.43Å; V291-K293 VanDerWaalsContact C-N 3.29Å; V291-K293 PolarHBondContact O-N 3.38Å; V291-N294 PolarHBondContact O-N 3.12Å; V291-S295 PolarHBondContact O-N 2.69Å; V291-S295 PolarHBondContact O-OG 3.42Å
292	R	50.9	Low	56	Low	87 Å²	87	75.6 Å²	75.6	33%	0.328	38%	0.377	S	S	.	.	H	α-helix	trans	-70.7	-20.9	-176.1	-162.2	175	175.7	131.7	-0.7	113.8	L289 Q290	L289-R292 WeakPolarHBondContact O-CB 3.17Å; L289-R292 PolarHBondContact O-N 3.42Å; Q290-R292 PolarHBondContact O-N 2.84Å
293	K	54	Low	55.2	Low	189 Å²	189	77.7 Å²	77.7	82%	0.822	38%	0.382	S	S	*	.	H	α-helix	trans	-80.9	-22	178.5	-86.1	-172	175.3	-179.1	0	113.8	Q290 V291	Q290-K293 PolarHBondContact O-N 3.36Å; V291-K293 VanDerWaalsContact C-N 3.29Å; V291-K293 PolarHBondContact O-N 3.38Å
294	N	51	Low	54.6	Low	119 Å²	119	78.2 Å²	78.2	64%	0.636	39%	0.386	S	S	*	.	H	α-helix	trans	-123.2	-8.4	-166.9	-88.5	-16.4	0	0	0	116.4	V291	V291-N294 PolarHBondContact O-N 3.12Å
295	S	47.4	Very low	54	Low	39 Å²	39	79.1 Å²	79.1	27%	0.273	40%	0.395	S	S	.	.			trans	-152.4	132.1	-179	44.4	0	0	0	0	113.4	V291 L297	V291-S295 PolarHBondContact O-N 2.69Å; V291-S295 PolarHBondContact O-OG 3.42Å; S295-L297 PolarHBondContact O-N 3.08Å
296	N	43.6	Very low	53.5	Low	178 Å²	178	78.4 Å²	78.4	95%	0.952	39%	0.393	S	S	*	.	S	Bend	trans	-62	14	166.4	-77.7	-41.9	0	0	0	113.9
297	L	43.6	Very low	53	Low	130 Å²	130	79.4 Å²	79.4	68%	0.681	40%	0.395	S	S	*	.			trans	-104.9	107.9	177.3	-87.4	86.4	0	0	0	108.9	S295	S295-L297 PolarHBondContact O-N 3.08Å
298	C	44.1	Very low	52.4	Low	55 Å²	55	80.4 Å²	80.4	37%	0.372	40%	0.401	S	S	.	.			trans	156.4	83.8	134.7	-82.5	0	0	0	0	107.8	N300 F301 I302	C298-N300 PolarHBondContact O-N 3.36Å; C298-N300 VanDerWaalsContact O-N 3.15Å; C298-F301 HydrophobicContact CB-CB 3.75Å; C298-F301 HydrophobicContact CB-CD2 3.8Å; C298-F301 HydrophobicContact CB-CG 4.24Å; C298-F301 PolarHBondContact O-N 3.4Å; C298-I302 WeakPolarHBondContact O-CG1 3.28Å; C298-I302 PolarHBondContact O-N 3.15Å
299	Y	44.9	Very low	52.1	Low	160 Å²	160	80.8 Å²	80.8	63%	0.627	40%	0.401	S	S	*	.	H	α-helix	trans	-50.5	-35.8	170.8	-132.5	-100.5	0	0	0	111.2	I302 Y303	Y299-I302 WeakPolarHBondContact O-CB 2.95Å; Y299-I302 PolarHBondContact O-N 2.89Å; Y299-Y303 HydrophobicContact CD1-CD2 4.12Å; Y299-Y303 AromaticContact CD1-CE2 3.52Å; Y299-Y303 HydrophobicContact CD1-CE2 3.52Å; Y299-Y303 AromaticContact CE1-CE2 3.69Å; Y299-Y303 HydrophobicContact CE1-CE2 3.69Å; Y299-Y303 WeakPolarHBondContact O-CD2 3.15Å; Y299-Y303 PolarHBondContact O-N 3.04Å; Y299-Y303 VanDerWaalsContact O-N 3.08Å
300	N	44.2	Very low	51.9	Low	122 Å²	122	79.5 Å²	79.5	65%	0.652	40%	0.398	S	S	*	.	H	α-helix	trans	-69.4	-35.2	176	-73.8	-46.4	0	0	0	114.8	C298 I302 Y303 C304	C298-N300 PolarHBondContact O-N 3.36Å; C298-N300 VanDerWaalsContact O-N 3.15Å; N300-I302 VanDerWaalsContact C-N 3.34Å; N300-Y303 PolarHBondContact O-N 3.39Å; N300-C304 PolarHBondContact O-N 3.12Å; N300-C304 VanDerWaalsContact O-N 3.16Å
301	F	48.3	Very low	51.6	Low	40 Å²	40	79.6 Å²	79.6	18%	0.175	40%	0.399	C	S	.	.	H	α-helix	trans	-73.8	-30.7	174	-93	-78.9	0	0	0	111.6	I226 C298 C304 G305	I226-F301 HydrophobicContact CG2-CE1 3.98Å; I226-F301 HydrophobicContact CG2-CZ 4.27Å; C298-F301 HydrophobicContact CB-CB 3.75Å; C298-F301 HydrophobicContact CB-CD2 3.8Å; C298-F301 HydrophobicContact CB-CG 4.24Å; C298-F301 PolarHBondContact O-N 3.4Å; F301-C304 PolarHBondContact O-N 3.03Å; F301-G305 PolarHBondContact O-N 3.42Å
302	I	52.1	Low	51.4	Low	62 Å²	62	79.6 Å²	79.6	32%	0.318	40%	0.399	S	S	.	.	H	α-helix	trans	-62.1	-46.4	172.7	-64.5	167.8	0	0	0	109.3	C298 Y299 N300 C304 G305 T306	C298-I302 WeakPolarHBondContact O-CG1 3.28Å; C298-I302 PolarHBondContact O-N 3.15Å; Y299-I302 WeakPolarHBondContact O-CB 2.95Å; Y299-I302 PolarHBondContact O-N 2.89Å; N300-I302 VanDerWaalsContact C-N 3.34Å; I302-C304 PolarHBondContact O-N 3.27Å; I302-G305 PolarHBondContact O-N 3.24Å; I302-T306 HydrophobicContact CG2-CG2 4.22Å; I302-T306 WeakPolarHBondContact O-CB 3.28Å; I302-T306 VanDerWaalsContact O-CG2 3.31Å; I302-T306 WeakPolarHBondContact O-CG2 3.14Å; I302-T306 PolarHBondContact O-N 2.91Å; I302-T306 PolarHBondContact O-OG1 3.46Å
303	Y	49.2	Very low	51.6	Low	133 Å²	133	80.3 Å²	80.3	52%	0.522	41%	0.409	S	S	.	.	H	α-helix	trans	-62.2	-40.5	176.6	-84.6	-71.4	0	0	0	113.4	Y299 N300 T306 F307	Y299-Y303 HydrophobicContact CD1-CD2 4.12Å; Y299-Y303 AromaticContact CD1-CE2 3.52Å; Y299-Y303 HydrophobicContact CD1-CE2 3.52Å; Y299-Y303 AromaticContact CE1-CE2 3.69Å; Y299-Y303 HydrophobicContact CE1-CE2 3.69Å; Y299-Y303 WeakPolarHBondContact O-CD2 3.15Å; Y299-Y303 PolarHBondContact O-N 3.04Å; Y299-Y303 VanDerWaalsContact O-N 3.08Å; N300-Y303 PolarHBondContact O-N 3.39Å; Y303-T306 WeakPolarHBondContact CA-OG1 3.48Å; Y303-T306 PolarHBondContact O-OG1 3.23Å; Y303-T306 VanDerWaalsContact O-OG1 3.06Å; Y303-F307 WeakPolarHBondContact O-CB 3.42Å; Y303-F307 PolarHBondContact O-N 3.25Å
304	C	54.3	Low	51.7	Low	23 Å²	23	77.3 Å²	77.3	16%	0.155	40%	0.401	C	S	.	.	H	α-helix	trans	-70.4	-40.6	177.5	-164.2	0	0	0	0	111.7	N300 F301 I302 F307 I308	N300-C304 PolarHBondContact O-N 3.12Å; N300-C304 VanDerWaalsContact O-N 3.16Å; F301-C304 PolarHBondContact O-N 3.03Å; I302-C304 PolarHBondContact O-N 3.27Å; C304-F307 PolarHBondContact O-N 3.08Å; C304-I308 VanDerWaalsContact O-CG1 3.29Å; C304-I308 WeakPolarHBondContact O-CG1 3.15Å; C304-I308 PolarHBondContact O-N 3.15Å
305	G	57.3	Low	51.8	Low	20 Å²	20	74.3 Å²	74.3	21%	0.206	39%	0.389	C	S	.	.	H	α-helix	trans	-63.8	-43.7	175	0	0	0	0	0	112.5	F301 I302 F307 I308 I309	F301-G305 PolarHBondContact O-N 3.42Å; I302-G305 PolarHBondContact O-N 3.24Å; G305-F307 VanDerWaalsContact C-N 3.34Å; G305-I308 PolarHBondContact O-N 3.07Å; G305-I309 WeakPolarHBondContact O-CB 3.08Å; G305-I309 WeakPolarHBondContact O-CD1 3.49Å; G305-I309 WeakPolarHBondContact O-CG1 3.22Å; G305-I309 PolarHBondContact O-N 3.23Å
306	T	58.9	Low	51.6	Low	39 Å²	39	74.9 Å²	74.9	24%	0.239	40%	0.402	C	S	.	.	H	α-helix	trans	-67.9	-34.8	175.1	55	0	0	0	0	111.7	I302 Y303 I309 S310	I302-T306 HydrophobicContact CG2-CG2 4.22Å; I302-T306 WeakPolarHBondContact O-CB 3.28Å; I302-T306 VanDerWaalsContact O-CG2 3.31Å; I302-T306 WeakPolarHBondContact O-CG2 3.14Å; I302-T306 PolarHBondContact O-N 2.91Å; I302-T306 PolarHBondContact O-OG1 3.46Å; Y303-T306 WeakPolarHBondContact CA-OG1 3.48Å; Y303-T306 PolarHBondContact O-OG1 3.23Å; Y303-T306 VanDerWaalsContact O-OG1 3.06Å; T306-I309 PolarHBondContact O-N 3.05Å; T306-S310 WeakPolarHBondContact O-CB 3.39Å; T306-S310 PolarHBondContact O-N 3.34Å; T306-S310 PolarHBondContact O-OG 3.07Å
307	F	56.4	Low	51.9	Low	101 Å²	101	68 Å²	68	44%	0.443	37%	0.366	S	S	.	.	H	α-helix	trans	-67.6	-40.6	175.4	-166.1	-92.7	0	0	0	112.5	C222 Y303 C304 G305 I309 S310 M311	C222-F307 VanDerWaalsContact SG-CD1 3.58Å; Y303-F307 WeakPolarHBondContact O-CB 3.42Å; Y303-F307 PolarHBondContact O-N 3.25Å; C304-F307 PolarHBondContact O-N 3.08Å; G305-F307 VanDerWaalsContact C-N 3.34Å; F307-I309 VanDerWaalsContact C-N 3.32Å; F307-S310 WeakPolarHBondContact CA-OG 3.48Å; F307-S310 PolarHBondContact O-N 2.75Å; F307-S310 PolarHBondContact O-OG 2.91Å; F307-S310 VanDerWaalsContact O-OG 3.08Å; F307-M311 HydrophobicContact CD1-CG 3.91Å; F307-M311 HydrophobicContact CE1-CG 3.62Å; F307-M311 HydrophobicContact CE1-SD 4.43Å; F307-M311 HydrophobicContact CE2-CE 4.31Å; F307-M311 HydrophobicContact CZ-CE 4.12Å; F307-M311 HydrophobicContact CZ-CG 4.05Å; F307-M311 HydrophobicContact CZ-SD 4.38Å; F307-M311 VanDerWaalsContact O-CB 3.27Å; F307-M311 WeakPolarHBondContact O-CB 3.19Å; F307-M311 VanDerWaalsContact O-CG 3.26Å; F307-M311 WeakPolarHBondContact O-CG 3.49Å; F307-M311 PolarHBondContact O-N 3.31Å
308	I	57.3	Low	51.9	Low	31 Å²	31	67.7 Å²	67.7	16%	0.159	36%	0.359	C	S	.	.	H	α-helix	trans	-64.7	-40.8	173.3	-68.6	171.4	0	0	0	109.9	M219 I226 C304 G305 S312	M219-I308 HydrophobicContact SD-CG2 4.15Å; I226-I308 HydrophobicContact CD1-CD1 4.41Å; C304-I308 VanDerWaalsContact O-CG1 3.29Å; C304-I308 WeakPolarHBondContact O-CG1 3.15Å; C304-I308 PolarHBondContact O-N 3.15Å; G305-I308 PolarHBondContact O-N 3.07Å; I308-S312 VanDerWaalsContact O-CB 3.24Å; I308-S312 WeakPolarHBondContact O-CB 3.5Å; I308-S312 PolarHBondContact O-N 3.29Å; I308-S312 PolarHBondContact O-OG 3.43Å
309	I	55.8	Low	52.1	Low	27 Å²	27	70.6 Å²	70.6	14%	0.138	37%	0.371	C	S	.	.	H	α-helix	trans	-65.1	-46.9	176.5	-67.5	159.4	0	0	0	110.8	G305 T306 F307 S312 I313 Y324 T328	G305-I309 WeakPolarHBondContact O-CB 3.08Å; G305-I309 WeakPolarHBondContact O-CD1 3.49Å; G305-I309 WeakPolarHBondContact O-CG1 3.22Å; G305-I309 PolarHBondContact O-N 3.23Å; T306-I309 PolarHBondContact O-N 3.05Å; F307-I309 VanDerWaalsContact C-N 3.32Å; I309-S312 PolarHBondContact O-N 3.08Å; I309-I313 HydrophobicContact CG2-CD1 3.67Å; I309-I313 HydrophobicContact CG2-CG1 4.37Å; I309-I313 WeakPolarHBondContact O-CB 3.3Å; I309-I313 WeakPolarHBondContact O-CG1 3.44Å; I309-I313 PolarHBondContact O-N 3.43Å; I309-Y324 HydrophobicContact CD1-CD1 4.17Å; I309-Y324 HydrophobicContact CD1-CE1 3.96Å; I309-Y324 HydrophobicContact CG1-CD1 4.33Å; I309-Y324 HydrophobicContact CG1-CE1 4.4Å; I309-T328 HydrophobicContact CD1-CG2 3.78Å; I309-T328 HydrophobicContact CG2-CG2 4.49Å
310	S	57.4	Low	52.1	Low	39 Å²	39	72.3 Å²	72.3	27%	0.273	38%	0.378	S	S	.	.	H	α-helix	trans	-67.3	-39.7	-179.6	56.1	0	0	0	0	111.7	T306 F307 S312 I313 L314	T306-S310 WeakPolarHBondContact O-CB 3.39Å; T306-S310 PolarHBondContact O-N 3.34Å; T306-S310 PolarHBondContact O-OG 3.07Å; F307-S310 WeakPolarHBondContact CA-OG 3.48Å; F307-S310 PolarHBondContact O-N 2.75Å; F307-S310 PolarHBondContact O-OG 2.91Å; F307-S310 VanDerWaalsContact O-OG 3.08Å; S310-S312 VanDerWaalsContact C-N 3.35Å; S310-S312 PolarHBondContact O-N 3.34Å; S310-I313 PolarHBondContact O-N 3.39Å; S310-L314 WeakPolarHBondContact O-CB 3Å; S310-L314 WeakPolarHBondContact O-CD1 3.33Å; S310-L314 WeakPolarHBondContact O-CG 3.38Å; S310-L314 PolarHBondContact O-N 3.02Å
311	M	54.8	Low	51.9	Low	59 Å²	59	67.6 Å²	67.6	29%	0.291	35%	0.354	S	S	.	.	H	α-helix	trans	-66	-35.7	172.3	-72.4	-64.9	120.3	0	0	112.3	F307 L314 S315	F307-M311 HydrophobicContact CD1-CG 3.91Å; F307-M311 HydrophobicContact CE1-CG 3.62Å; F307-M311 HydrophobicContact CE1-SD 4.43Å; F307-M311 HydrophobicContact CE2-CE 4.31Å; F307-M311 HydrophobicContact CZ-CE 4.12Å; F307-M311 HydrophobicContact CZ-CG 4.05Å; F307-M311 HydrophobicContact CZ-SD 4.38Å; F307-M311 VanDerWaalsContact O-CB 3.27Å; F307-M311 WeakPolarHBondContact O-CB 3.19Å; F307-M311 VanDerWaalsContact O-CG 3.26Å; F307-M311 WeakPolarHBondContact O-CG 3.49Å; F307-M311 PolarHBondContact O-N 3.31Å; M311-L314 HydrophobicContact CE-CD1 3.71Å; M311-L314 PolarHBondContact O-N 3.43Å; M311-S315 VanDerWaalsContact O-CB 3.27Å; M311-S315 WeakPolarHBondContact O-CB 3.45Å; M311-S315 PolarHBondContact O-N 2.85Å; M311-S315 PolarHBondContact O-OG 3.32Å
312	S	54	Low	51.5	Low	18 Å²	18	71.4 Å²	71.4	13%	0.126	38%	0.376	C	S	.	.	H	α-helix	trans	-69.7	-37.1	176.2	-58.5	0	0	0	0	112	I308 I309 S310 G316 V317	I308-S312 VanDerWaalsContact O-CB 3.24Å; I308-S312 WeakPolarHBondContact O-CB 3.5Å; I308-S312 PolarHBondContact O-N 3.29Å; I308-S312 PolarHBondContact O-OG 3.43Å; I309-S312 PolarHBondContact O-N 3.08Å; S310-S312 VanDerWaalsContact C-N 3.35Å; S310-S312 PolarHBondContact O-N 3.34Å; S312-G316 PolarHBondContact O-N 3.49Å; S312-V317 PolarHBondContact O-N 3.35Å
313	I	54.3	Low	51.1	Low	102 Å²	102	76.3 Å²	76.3	52%	0.523	40%	0.397	S	S	.	.	H	α-helix	trans	-65.9	-43.9	172.6	-66.9	165.2	0	0	0	110.4	I309 S310	I309-I313 HydrophobicContact CG2-CD1 3.67Å; I309-I313 HydrophobicContact CG2-CG1 4.37Å; I309-I313 WeakPolarHBondContact O-CB 3.3Å; I309-I313 WeakPolarHBondContact O-CG1 3.44Å; I309-I313 PolarHBondContact O-N 3.43Å; S310-I313 PolarHBondContact O-N 3.39Å
314	L	55.9	Low	50.7	Low	127 Å²	127	73.1 Å²	73.1	67%	0.665	38%	0.384	S	S	*	.	H	α-helix	trans	-70.9	-29.4	179	-80.9	159.3	0	0	0	113.7	S310 M311	S310-L314 WeakPolarHBondContact O-CB 3Å; S310-L314 WeakPolarHBondContact O-CD1 3.33Å; S310-L314 WeakPolarHBondContact O-CG 3.38Å; S310-L314 PolarHBondContact O-N 3.02Å; M311-L314 HydrophobicContact CE-CD1 3.71Å; M311-L314 PolarHBondContact O-N 3.43Å
315	S	54.1	Low	50.2	Low	55 Å²	55	73.7 Å²	73.7	39%	0.385	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	4	-178.5	52.6	0	0	0	0	114.1	M311 V317	M311-S315 VanDerWaalsContact O-CB 3.27Å; M311-S315 WeakPolarHBondContact O-CB 3.45Å; M311-S315 PolarHBondContact O-N 2.85Å; M311-S315 PolarHBondContact O-OG 3.32Å; S315-V317 PolarHBondContact O-N 3.27Å; S315-V317 VanDerWaalsContact O-N 3.13Å; S315-V317 WeakPolarHBondContact OG-CG2 3.39Å
316	G	42.3	Very low	49.5	Very low	52 Å²	52	78.6 Å²	78.6	54%	0.536	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	15.8	179.6	0	0	0	0	0	113.5	S312 F318	S312-G316 PolarHBondContact O-N 3.49Å; G316-F318 PolarHBondContact O-N 2.98Å
317	V	50.7	Low	48.9	Very low	32 Å²	32	80.6 Å²	80.6	19%	0.194	42%	0.421	C	S	.	.			trans	-82.9	70.1	-179.9	-169.9	0	0	0	0	107.7	F216 S312 S315 D319	F216-V317 HydrophobicContact CE1-CG2 3.82Å; F216-V317 HydrophobicContact CE2-CG1 3.77Å; F216-V317 HydrophobicContact CE2-CG2 4.25Å; F216-V317 HydrophobicContact CZ-CB 4.35Å; F216-V317 HydrophobicContact CZ-CG1 3.67Å; F216-V317 HydrophobicContact CZ-CG2 3.62Å; S312-V317 PolarHBondContact O-N 3.35Å; S315-V317 PolarHBondContact O-N 3.27Å; S315-V317 VanDerWaalsContact O-N 3.13Å; S315-V317 WeakPolarHBondContact OG-CG2 3.39Å; V317-D319 VanDerWaalsContact C-N 3.32Å; V317-D319 PolarHBondContact O-N 2.75Å
318	F	43.3	Very low	48.4	Very low	124 Å²	124	77.6 Å²	77.6	54%	0.544	41%	0.411	S	S	.	.	H	α-helix	trans	-76.4	-14.2	-173	-99.2	-87.8	0	0	0	114.2	G316 C321	G316-F318 PolarHBondContact O-N 2.98Å; F318-C321 PolarHBondContact O-N 2.84Å
319	D	49	Very low	47.6	Very low	116 Å²	116	84 Å²	84	62%	0.62	43%	0.433	S	S	*	.	H	α-helix	trans	-82.8	-29.9	-168.1	-73	-49.2	0	0	0	115	V317 C321	V317-D319 VanDerWaalsContact C-N 3.32Å; V317-D319 PolarHBondContact O-N 2.75Å; D319-C321 VanDerWaalsContact C-N 3.35Å
320	Y	43.7	Very low	46.9	Very low	197 Å²	197	85.5 Å²	85.5	77%	0.773	45%	0.449	S	S	*	.	H	α-helix	trans	-80.6	-21.2	170.9	-87.8	-87.1	0	0	0	112.7
321	C	41.6	Very low	46.1	Very low	22 Å²	22	87.4 Å²	87.4	15%	0.149	45%	0.451	C	S	.	.	H	α-helix	trans	-82.5	-8.4	-178.9	-85.1	0	0	0	0	113.7	F318 D319 H323 Y324 S325	F318-C321 PolarHBondContact O-N 2.84Å; D319-C321 VanDerWaalsContact C-N 3.35Å; C321-H323 PolarHBondContact O-N 3.42Å; C321-Y324 CarbonylContact O-C 3.55Å; C321-Y324 WeakPolarHBondContact O-CA 3.22Å; C321-Y324 WeakPolarHBondContact O-CB 3.04Å; C321-Y324 PolarHBondContact O-N 3.31Å; C321-S325 WeakPolarHBondContact O-CA 3.07Å; C321-S325 VanDerWaalsContact O-CB 3.28Å; C321-S325 WeakPolarHBondContact O-CB 3.44Å; C321-S325 PolarHBondContact O-N 2.91Å
322	L	40.1	Very low	45.5	Very low	120 Å²	120	91.2 Å²	91.2	63%	0.628	46%	0.463	S	S	*	.	H	α-helix	trans	-66	-41.4	-175.3	-142.9	83	0	0	0	113	Y324 S325	L322-Y324 PolarHBondContact O-N 3.24Å; L322-S325 PolarHBondContact O-N 3.35Å
323	H	43.1	Very low	45.2	Very low	165 Å²	165	101.4 Å²	101.4	76%	0.764	50%	0.499	S	S	*	.	H	α-helix	trans	-66	-27.3	171.9	-133.4	-94.7	0	0	0	111.8	C321	C321-H323 PolarHBondContact O-N 3.42Å
324	Y	40.8	Very low	45.1	Very low	66 Å²	66	107.3 Å²	107.3	26%	0.259	51%	0.514	S	S	.	.	H	α-helix	trans	-85.1	-28.4	-178.5	-124.1	-83.2	0	0	0	113.3	L289 I309 C321 L322 I326 V327 T328	L289-Y324 HydrophobicContact CD1-CE2 4.19Å; L289-Y324 HydrophobicContact CD2-CE2 3.9Å; L289-Y324 WeakPolarHBondContact CD2-OH 3.42Å; I309-Y324 HydrophobicContact CD1-CD1 4.17Å; I309-Y324 HydrophobicContact CD1-CE1 3.96Å; I309-Y324 HydrophobicContact CG1-CD1 4.33Å; I309-Y324 HydrophobicContact CG1-CE1 4.4Å; C321-Y324 CarbonylContact O-C 3.55Å; C321-Y324 WeakPolarHBondContact O-CA 3.22Å; C321-Y324 WeakPolarHBondContact O-CB 3.04Å; C321-Y324 PolarHBondContact O-N 3.31Å; L322-Y324 PolarHBondContact O-N 3.24Å; Y324-I326 VanDerWaalsContact C-N 3.29Å; Y324-I326 PolarHBondContact O-N 2.76Å; Y324-V327 CarbonylContact O-C 3.54Å; Y324-V327 PolarHBondContact O-N 3.16Å; Y324-V327 VanDerWaalsContact O-N 3.1Å; Y324-T328 HydrophobicContact CD1-CG2 4.11Å; Y324-T328 PolarHBondContact O-N 2.85Å; Y324-T328 PolarHBondContact O-OG1 3.44Å
325	S	42.7	Very low	44.2	Very low	35 Å²	35	102.3 Å²	102.3	25%	0.245	49%	0.491	C	S	.	.	H	α-helix	trans	-67	-34.6	178.7	-176.7	0	0	0	0	110.4	C321 L322 V327 T328 R329	C321-S325 WeakPolarHBondContact O-CA 3.07Å; C321-S325 VanDerWaalsContact O-CB 3.28Å; C321-S325 WeakPolarHBondContact O-CB 3.44Å; C321-S325 PolarHBondContact O-N 2.91Å; L322-S325 PolarHBondContact O-N 3.35Å; S325-V327 VanDerWaalsContact C-N 3.35Å; S325-T328 VanDerWaalsContact CA-OG1 3.29Å; S325-T328 WeakPolarHBondContact CA-OG1 3.43Å; S325-T328 PolarHBondContact O-OG1 2.77Å; S325-R329 WeakPolarHBondContact O-CB 3.49Å; S325-R329 WeakPolarHBondContact O-CG 3.33Å; S325-R329 PolarHBondContact O-N 3.14Å
326	I	44.5	Very low	43.4	Very low	123 Å²	123	103.8 Å²	103.8	63%	0.631	50%	0.499	S	S	*	.	H	α-helix	trans	-66.5	-40.3	172.6	-61.2	171.1	0	0	0	110.2	Y324 A330	Y324-I326 VanDerWaalsContact C-N 3.29Å; Y324-I326 PolarHBondContact O-N 2.76Å; I326-A330 WeakPolarHBondContact O-CB 3.37Å; I326-A330 PolarHBondContact O-N 2.86Å; I326-A330 VanDerWaalsContact O-N 3.14Å
327	V	46.3	Very low	43.4	Very low	82 Å²	82	111.4 Å²	111.4	50%	0.497	51%	0.512	S	S	.	.	H	α-helix	trans	-76.5	-38.3	179.7	-178.6	0	0	0	0	112	Y324 S325 A330 W331	Y324-V327 CarbonylContact O-C 3.54Å; Y324-V327 PolarHBondContact O-N 3.16Å; Y324-V327 VanDerWaalsContact O-N 3.1Å; S325-V327 VanDerWaalsContact C-N 3.35Å; V327-A330 PolarHBondContact O-N 3.4Å; V327-W331 WeakPolarHBondContact O-CB 3.42Å; V327-W331 PolarHBondContact O-N 3.18Å
328	T	44.4	Very low	42.8	Very low	38 Å²	38	116.6 Å²	116.6	23%	0.233	54%	0.539	C	S	.	.	H	α-helix	trans	-74.2	-35.6	177	46.7	0	0	0	0	112.1	I309 Y324 S325 A330 W331 Y332	I309-T328 HydrophobicContact CD1-CG2 3.78Å; I309-T328 HydrophobicContact CG2-CG2 4.49Å; Y324-T328 HydrophobicContact CD1-CG2 4.11Å; Y324-T328 PolarHBondContact O-N 2.85Å; Y324-T328 PolarHBondContact O-OG1 3.44Å; S325-T328 VanDerWaalsContact CA-OG1 3.29Å; S325-T328 WeakPolarHBondContact CA-OG1 3.43Å; S325-T328 PolarHBondContact O-OG1 2.77Å; T328-A330 VanDerWaalsContact C-N 3.3Å; T328-A330 PolarHBondContact O-N 2.98Å; T328-W331 PolarHBondContact O-N 2.74Å; T328-W331 VanDerWaalsContact O-N 3.15Å; T328-Y332 WeakPolarHBondContact O-CB 3.25Å; T328-Y332 PolarHBondContact O-N 3.37Å
329	R	41.3	Very low	42.9	Very low	165 Å²	165	113.3 Å²	113.3	62%	0.623	53%	0.526	S	S	*	.	H	α-helix	trans	-62.9	-37.6	169.1	-78.1	176	167.4	169.9	-3.6	111.7	S325 W331 R333	S325-R329 WeakPolarHBondContact O-CB 3.49Å; S325-R329 WeakPolarHBondContact O-CG 3.33Å; S325-R329 PolarHBondContact O-N 3.14Å; R329-W331 VanDerWaalsContact C-N 3.33Å; R329-R333 WeakPolarHBondContact O-CG 3.27Å; R329-R333 PolarHBondContact O-N 3.4Å
330	A	41.4	Very low	42.4	Very low	58 Å²	58	110.6 Å²	110.6	48%	0.479	51%	0.511	S	S	.	.	H	α-helix	trans	-67.1	-33.7	172.6	0	0	0	0	0	112.5	I326 V327 T328	I326-A330 WeakPolarHBondContact O-CB 3.37Å; I326-A330 PolarHBondContact O-N 2.86Å; I326-A330 VanDerWaalsContact O-N 3.14Å; V327-A330 PolarHBondContact O-N 3.4Å; T328-A330 VanDerWaalsContact C-N 3.3Å; T328-A330 PolarHBondContact O-N 2.98Å
331	W	40.1	Very low	42	Very low	80 Å²	80	110.4 Å²	110.4	30%	0.303	51%	0.511	S	S	.	.	H	α-helix	trans	-75.3	-42.6	178.4	-166.1	79.7	0	0	0	112.9	V327 T328 R329 R333 R334 A335 I339	V327-W331 WeakPolarHBondContact O-CB 3.42Å; V327-W331 PolarHBondContact O-N 3.18Å; T328-W331 PolarHBondContact O-N 2.74Å; T328-W331 VanDerWaalsContact O-N 3.15Å; R329-W331 VanDerWaalsContact C-N 3.33Å; W331-R333 PolarHBondContact O-N 3.17Å; W331-R334 PolarHBondContact O-N 3.26Å; W331-A335 HydrophobicContact CZ3-CB 4.5Å; W331-A335 PolarHBondContact O-N 2.9Å; W331-I339 HydrophobicContact CH2-CG2 3.86Å; W331-I339 HydrophobicContact CZ3-CG2 4.45Å
332	Y	42.6	Very low	41.7	Very low	138 Å²	138	112.6 Å²	112.6	54%	0.541	53%	0.526	S	S	.	.	H	α-helix	trans	-62.1	-30.8	177.4	-146.7	-91.2	0	0	0	111.7	T328 R334 L340 L343	T328-Y332 WeakPolarHBondContact O-CB 3.25Å; T328-Y332 PolarHBondContact O-N 3.37Å; Y332-R334 VanDerWaalsContact C-N 3.31Å; Y332-R334 PolarHBondContact O-N 3.21Å; Y332-L340 HydrophobicContact CD1-CD2 4.15Å; Y332-L340 HydrophobicContact CD2-CD2 4.41Å; Y332-L340 HydrophobicContact CE1-CD2 3.39Å; Y332-L340 HydrophobicContact CE2-CD2 3.7Å; Y332-L340 WeakPolarHBondContact OH-CD2 3.36Å; Y332-L343 HydrophobicContact CE2-CD1 4.28Å
333	R	48.2	Very low	41.6	Very low	233 Å²	233	110.6 Å²	110.6	88%	0.879	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-12.9	173.2	-73.9	-172.3	-172	-165.1	2.7	114.6	R329 W331	R329-R333 WeakPolarHBondContact O-CG 3.27Å; R329-R333 PolarHBondContact O-N 3.4Å; W331-R333 PolarHBondContact O-N 3.17Å
334	R	51.1	Low	41.2	Very low	226 Å²	226	106.5 Å²	106.5	85%	0.853	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.5	-4.1	-171.9	-131.7	162.1	-174.6	123	-2	114.4	W331 Y332	W331-R334 PolarHBondContact O-N 3.26Å; Y332-R334 VanDerWaalsContact C-N 3.31Å; Y332-R334 PolarHBondContact O-N 3.21Å
335	A	37.2	Very low	41	Very low	22 Å²	22	110.5 Å²	110.5	18%	0.182	54%	0.535	C	S	.	.	S	Bend	trans	-77.5	133.5	178.8	0	0	0	0	0	111.2	W331	W331-A335 HydrophobicContact CZ3-CB 4.5Å; W331-A335 PolarHBondContact O-N 2.9Å
336	P	37.8	Very low	40.5	Very low	85 Å²	85	118 Å²	118	55%	0.552	57%	0.57	S	S	*	*			trans	-60.7	143.3	171.8	24.7	-32.2	0	0	0	110.6	N338 I339	P336-N338 PolarHBondContact O-N 3.27Å; P336-I339 HydrophobicContact CG-CD1 4.17Å; P336-I339 PolarHBondContact O-N 3.5Å; P336-I339 VanDerWaalsContact O-N 3.1Å
337	R	41.8	Very low	40.4	Very low	212 Å²	212	117.8 Å²	117.8	80%	0.8	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-49.6	-25.3	-171.6	-77.2	-175.9	178.2	-171	-0.4	115.2	I339 L340	R337-I339 PolarHBondContact O-N 3.23Å; R337-L340 PolarHBondContact O-N 3.38Å
338	N	39.1	Very low	40	Very low	142 Å²	142	119.6 Å²	119.6	76%	0.759	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-68.7	-17.8	-176.9	-59.5	-13.6	0	0	0	113.8	P336	P336-N338 PolarHBondContact O-N 3.27Å
339	I	43.9	Very low	39.8	Very low	54 Å²	54	124.2 Å²	124.2	28%	0.277	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-87.3	-19.6	178.7	-61.8	174	0	0	0	111.8	W331 P336 R337 Y341 S342	W331-I339 HydrophobicContact CH2-CG2 3.86Å; W331-I339 HydrophobicContact CZ3-CG2 4.45Å; P336-I339 HydrophobicContact CG-CD1 4.17Å; P336-I339 PolarHBondContact O-N 3.5Å; P336-I339 VanDerWaalsContact O-N 3.1Å; R337-I339 PolarHBondContact O-N 3.23Å; I339-Y341 VanDerWaalsContact C-N 3.32Å; I339-Y341 PolarHBondContact O-N 3.3Å; I339-S342 PolarHBondContact O-OG 3.4Å
340	L	38	Very low	39.7	Very low	59 Å²	59	121.8 Å²	121.8	31%	0.309	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.1	-25	-178.7	-72.4	165.9	0	0	0	113.1	Y332 R337 L343	Y332-L340 HydrophobicContact CD1-CD2 4.15Å; Y332-L340 HydrophobicContact CD2-CD2 4.41Å; Y332-L340 HydrophobicContact CE1-CD2 3.39Å; Y332-L340 HydrophobicContact CE2-CD2 3.7Å; Y332-L340 WeakPolarHBondContact OH-CD2 3.36Å; R337-L340 PolarHBondContact O-N 3.38Å; L340-L343 PolarHBondContact O-N 3.37Å
341	Y	35.8	Very low	39.6	Very low	194 Å²	194	125.8 Å²	125.8	76%	0.761	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-30.5	-178.1	-95.2	-83.9	0	0	0	114.2	I339	I339-Y341 VanDerWaalsContact C-N 3.32Å; I339-Y341 PolarHBondContact O-N 3.3Å
342	S	36.7	Very low	39.6	Very low	67 Å²	67	128.8 Å²	128.8	47%	0.469	61%	0.614	S	S	.	*	G	3₁₀ helix	trans	-80.4	-18.6	179.7	37.9	0	0	0	0	113.1	I339 A344	I339-S342 PolarHBondContact O-OG 3.4Å; S342-A344 VanDerWaalsContact C-N 3.35Å
343	L	36.8	Very low	39.4	Very low	78 Å²	78	128.1 Å²	128.1	41%	0.408	62%	0.619	S	S	.	*	G	3₁₀ helix	trans	-83.4	-9.5	175.1	-77.9	165.4	0	0	0	113.5	Y332 L340	Y332-L343 HydrophobicContact CE2-CD1 4.28Å; L340-L343 PolarHBondContact O-N 3.37Å
344	A	35.1	Very low	38.7	Very low	80 Å²	80	120.1 Å²	120.1	66%	0.661	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-88.6	-1.5	178.1	0	0	0	0	0	113.9	S342	S342-A344 VanDerWaalsContact C-N 3.35Å
345	I	35.9	Very low	37.6	Very low	150 Å²	150	111.3 Å²	111.3	77%	0.769	58%	0.578	S	S	*	*			trans	-111.1	6.8	-172.9	-57.3	179.9	0	0	0	112.4
346	I	33.8	Very low	37.7	Very low	192 Å²	192	119.4 Å²	119.4	99%	0.985	61%	0.614	S	S	*	*			trans	-123.6	0	172.3	-49.4	175.1	0	0	0	107.7

Retrieved 346 of 346 residues in 694.8 ms (Link to these results)

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