A0A077YUT4_TRITR Loading...

RNase T and UCH 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YUT4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 596 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	27.9	Very low	25.7	Very low	242 Å²	242	112.4 Å²	112.4	100%	1.192	60%	0.598	S	S	*	*				0	128.5	0	-77.1	179.9	161.8	0	0	107.8	Q3	M1-Q3 PolarHBondContact O-N 3.17Å
2	H	24.7	Very low	25.9	Very low	189 Å²	189	106.8 Å²	106.8	88%	0.875	57%	0.565	S	S	*	*			trans	-64.3	126	-164.7	-66	-82.4	0	0	0	113	V4	H2-V4 PolarHBondContact O-N 3.39Å; H2-V4 VanDerWaalsContact O-N 3.17Å
3	Q	22.6	Very low	26.5	Very low	195 Å²	195	103.5 Å²	103.5	91%	0.911	55%	0.551	S	S	*	*			trans	-67.6	109.2	161.8	-81.1	179.4	-25.4	0	0	108	M1 A5	M1-Q3 PolarHBondContact O-N 3.17Å; Q3-A5 PolarHBondContact O-N 2.92Å
4	V	24.3	Very low	26.4	Very low	125 Å²	125	96.1 Å²	96.1	76%	0.758	51%	0.513	S	S	*	.			trans	-69.9	112	174.3	176.9	0	0	0	0	108.2	H2 K6	H2-V4 PolarHBondContact O-N 3.39Å; H2-V4 VanDerWaalsContact O-N 3.17Å; V4-K6 PolarHBondContact O-N 3.2Å
5	A	24.2	Very low	26.3	Very low	95 Å²	95	91.7 Å²	91.7	79%	0.785	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-54.5	125.7	168.6	0	0	0	0	0	109.2	Q3	Q3-A5 PolarHBondContact O-N 2.92Å
6	K	25.7	Very low	26.1	Very low	194 Å²	194	94.3 Å²	94.3	84%	0.843	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-89.5	138.5	-179.2	-74.7	-178.5	-179.8	172.4	0	110	V4	V4-K6 PolarHBondContact O-N 3.2Å
7	P	26.2	Very low	25.9	Very low	82 Å²	82	95.5 Å²	95.5	53%	0.532	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-81	139	-168.6	35	-38.5	0	0	0	112.1	F421	P7-F421 HydrophobicContact CB-CB 3.94Å; P7-F421 HydrophobicContact CB-CD1 4.39Å; P7-F421 HydrophobicContact CB-CG 4.46Å; P7-F421 HydrophobicContact CG-CB 4.09Å; P7-F421 WeakPolarHBondContact CG-O 3.44Å
8	A	25	Very low	25.6	Very low	26 Å²	26	95.2 Å²	95.2	22%	0.215	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-79	146.7	-174.4	0	0	0	0	0	113.7	F421 L554	A8-F421 VanDerWaalsContact O-CB 3.28Å; A8-F421 WeakPolarHBondContact O-CB 3.43Å; A8-F421 WeakPolarHBondContact O-CD2 3.49Å; A8-F421 WeakPolarHBondContact O-CG 3.22Å; A8-L554 HydrophobicContact CB-CD2 3.33Å
9	V	29.6	Very low	25.4	Very low	11 Å²	11	96.8 Å²	96.8	7%	0.067	53%	0.528	C	S	.	.	B	Isolated β-bridge	trans	-88.1	150.4	-178.5	168.2	0	0	0	0	111.6	T419 A422 P428 A435	V9-T419 HydrophobicContact CB-CG2 4.48Å; V9-T419 HydrophobicContact CG1-CG2 3.77Å; V9-T419 HydrophobicContact CG2-CG2 3.89Å; V9-A422 HydrophobicContact CG2-CB 3.82Å; V9-P428 HydrophobicContact CG2-CG 4.44Å; V9-A435 PolarHBondContact O-N 3.45Å
10	L	25.6	Very low	25.2	Very low	17 Å²	17	98.2 Å²	98.2	9%	0.089	54%	0.54	C	S	.	.			trans	-136.7	137.7	-167.6	-161.4	151.9	0	0	0	111.7	A420 D547 A550 R551	L10-A420 HydrophobicContact CB-CB 4.44Å; L10-D547 HydrophobicContact CD1-CB 4.05Å; L10-D547 HydrophobicContact CD2-CB 3.5Å; L10-D547 WeakPolarHBondContact CD2-OD1 3.39Å; L10-D547 HydrophobicContact CG-CB 4.41Å; L10-A550 HydrophobicContact CD1-CB 4.18Å; L10-A550 HydrophobicContact CG-CB 4.13Å; L10-R551 HydrophobicContact CD1-CG 3.68Å
11	L	27	Very low	25	Very low	60 Å²	60	99.6 Å²	99.6	31%	0.314	55%	0.547	S	S	.	.			trans	-155.6	139.9	-176.1	-109.1	160.3	0	0	0	111.2	I417	L11-I417 HydrophobicContact CD1-CG2 4.41Å
12	K	27.6	Very low	24.7	Very low	45 Å²	45	92.5 Å²	92.5	20%	0.196	52%	0.521	C	S	.	.			trans	-149.6	135.2	-155.1	-168.4	-154.6	-140.1	144.8	0	114.6	D545 S546 D547	K12-D545 IonicContact NZ-OD1 3.18Å; K12-D545 PolarHBondContact NZ-OD1 3.23Å; K12-D545 IonicContact NZ-OD2 2.75Å; K12-D545 PolarHBondContact NZ-OD2 2.84Å; K12-S546 WeakPolarHBondContact CE-OG 3.42Å; K12-S546 WeakPolarHBondContact CG-OG 3.42Å; K12-D547 WeakPolarHBondContact CB-OD1 3.48Å; K12-D547 WeakPolarHBondContact CD-OD1 3.18Å; K12-D547 VanDerWaalsContact CE-OD1 3.3Å; K12-D547 WeakPolarHBondContact CE-OD1 3.5Å; K12-D547 WeakPolarHBondContact CG-OD1 3.32Å; K12-D547 IonicContact NZ-OD1 2.86Å; K12-D547 PolarHBondContact NZ-OD1 2.95Å; K12-D547 IonicContact NZ-OD2 3.89Å; K12-D547 PolarHBondContact NZ-OD2 2.81Å
13	V	34	Very low	24.5	Very low	64 Å²	64	91.4 Å²	91.4	39%	0.388	52%	0.52	S	S	.	.			trans	-155.8	177.3	166.9	-171.4	0	0	0	0	109.2	E439	V13-E439 VanDerWaalsContact C-C 3.42Å; V13-E439 CarbonylContact C-O 3.55Å; V13-E439 WeakPolarHBondContact CA-O 3.28Å; V13-E439 WeakPolarHBondContact CB-O 3.32Å; V13-E439 CarbonylContact O-C 3.45Å; V13-E439 PolarHBondContact O-N 3.12Å
14	G	26	Very low	24.4	Very low	1 Å²	1	90.3 Å²	90.3	1%	0.01	51%	0.514	C	S	.	.			trans	-135.6	159.7	177.9	0	0	0	0	0	118.9	E439 F440 V441	G14-E439 VanDerWaalsContact CA-CD 3.42Å; G14-E439 WeakPolarHBondContact CA-OE1 3.5Å; G14-E439 VanDerWaalsContact N-C 3.31Å; G14-E439 PolarHBondContact N-O 2.89Å; G14-E439 CarbonylContact O-C 3.57Å; G14-F440 CarbonylContact O-C 2.74Å; G14-F440 WeakPolarHBondContact O-CA 3.38Å; G14-F440 PolarHBondContact O-N 2.8Å; G14-V441 WeakPolarHBondContact O-CA 3.09Å; G14-V441 WeakPolarHBondContact O-CG2 3.25Å; G14-V441 PolarHBondContact O-N 3.41Å
15	L	25	Very low	24.4	Very low	29 Å²	29	90.4 Å²	90.4	15%	0.152	52%	0.52	C	S	.	.			trans	-169.2	147.4	-175.2	176.7	140.3	0	0	0	116.4	T17 E439 F440 V501	L15-T17 HydrophobicContact CD2-CG2 4.33Å; L15-E439 VanDerWaalsContact C-OE2 3.27Å; L15-E439 HydrophobicContact CB-CG 4.19Å; L15-E439 PolarHBondContact N-OE2 2.89Å; L15-E439 WeakPolarHBondContact O-CG 3.46Å; L15-F440 HydrophobicContact CB-CB 4.47Å; L15-F440 VanDerWaalsContact CB-O 3.28Å; L15-F440 WeakPolarHBondContact CB-O 3.25Å; L15-F440 HydrophobicContact CD1-CB 4.49Å; L15-F440 WeakPolarHBondContact CD1-O 3.45Å; L15-V501 HydrophobicContact CB-CG1 4.1Å; L15-V501 HydrophobicContact CD1-CG1 3.86Å; L15-V501 HydrophobicContact CD2-CB 4.36Å; L15-V501 HydrophobicContact CD2-CG1 3.68Å; L15-V501 HydrophobicContact CD2-CG2 3.78Å; L15-V501 HydrophobicContact CG-CG1 4.07Å
16	H	22.5	Very low	24.3	Very low	134 Å²	134	94.7 Å²	94.7	62%	0.62	52%	0.523	S	S	*	.			trans	-133	153.4	153.2	-107.7	-106.7	0	0	0	114.8	V450	H16-V450 HydrophobicContact CB-CG2 3.83Å
17	T	21.9	Very low	24.1	Very low	114 Å²	114	88.9 Å²	88.9	70%	0.699	52%	0.518	S	S	*	.			trans	-105.8	144.7	170	44.4	0	0	0	0	112.6	L15	L15-T17 HydrophobicContact CD2-CG2 4.33Å
18	A	21.3	Very low	24	Very low	90 Å²	90	91.2 Å²	91.2	74%	0.744	54%	0.535	S	S	*	.			trans	-108.9	152.9	171.8	0	0	0	0	0	113.4
19	I	21.2	Very low	24	Very low	126 Å²	126	96.2 Å²	96.2	65%	0.646	57%	0.568	S	S	*	*			trans	-140.7	134.7	178.4	-60.2	171.4	0	0	0	109.4
20	T	21.4	Very low	23.8	Very low	124 Å²	124	99.1 Å²	99.1	76%	0.761	60%	0.6	S	S	*	*			trans	-154.2	117.8	153.3	44.1	0	0	0	0	108.1
21	N	21.1	Very low	23.8	Very low	128 Å²	128	107.2 Å²	107.2	68%	0.684	64%	0.642	S	S	*	*				63.5	143.3	96.3	-66.2	-11.1	0	0	0	114.8
22	S	21.1	Very low	23.8	Very low	94 Å²	94	106.9 Å²	106.9	66%	0.657	65%	0.653	S	S	*	*			cis	174.7	153.3	-16.3	52.5	0	0	0	0	107.5
23	I	21.7	Very low	24.1	Very low	166 Å²	166	111 Å²	111	85%	0.851	69%	0.688	S	S	*	*			trans	-160.6	141.7	153.9	-101.4	143.2	0	0	0	111.1
24	H	20.8	Very low	24.7	Very low	171 Å²	171	113.3 Å²	113.3	79%	0.792	70%	0.702	S	S	*	*			trans	-92	149.1	169	-81.3	-44.9	0	0	0	111.1
25	C	23.5	Very low	26.3	Very low	128 Å²	128	120.7 Å²	120.7	87%	0.865	73%	0.733	S	S	*	*			trans	-135.3	133.8	148.1	-82.3	0	0	0	0	110.5
26	H	21.4	Very low	28.7	Very low	184 Å²	184	127.6 Å²	127.6	85%	0.852	77%	0.765	S	S	*	*			trans	-91.7	153.6	172.3	-90	-97.8	0	0	0	111.1
27	G	22.1	Very low	31.8	Very low	73 Å²	73	122.3 Å²	122.3	75%	0.753	74%	0.741	S	S	*	*			trans	84.5	112.6	146.5	0	0	0	0	0	117.4
28	C	25.2	Very low	35	Very low	131 Å²	131	119.1 Å²	119.1	89%	0.885	72%	0.722	S	S	*	*			trans	-161.9	108.6	132.2	-120.8	0	0	0	0	109.6
29	S	23.1	Very low	38.2	Very low	130 Å²	130	119.3 Å²	119.3	91%	0.909	72%	0.718	S	S	*	*			trans	-78.8	116.6	170.1	-46.6	0	0	0	0	108.5
30	G	27.1	Very low	41.3	Very low	72 Å²	72	115.2 Å²	115.2	74%	0.742	70%	0.696	S	S	*	*			trans	-128.1	110.7	177.5	0	0	0	0	0	110.3	G32	G30-G32 PolarHBondContact O-N 3.29Å
31	I	25.1	Very low	44.5	Very low	188 Å²	188	109.5 Å²	109.5	96%	0.964	66%	0.66	S	S	*	*			trans	-79.2	114.7	-177.3	-65.3	169.3	0	0	0	109.5
32	G	27.4	Very low	47.6	Very low	52 Å²	52	107.1 Å²	107.1	54%	0.536	65%	0.645	S	S	.	*	S	Bend	trans	-169	140.4	167.8	0	0	0	0	0	107.6	G30 V34	G30-G32 PolarHBondContact O-N 3.29Å; G32-V34 PolarHBondContact O-N 3.22Å
33	S	33.8	Very low	50.3	Low	133 Å²	133	106 Å²	106	93%	0.93	63%	0.628	S	S	*	*			trans	-75.3	62.1	-178.2	44.9	0	0	0	0	112	K35	S33-K35 PolarHBondContact O-N 3.29Å
34	V	47	Very low	52.3	Low	112 Å²	112	99.8 Å²	99.8	68%	0.679	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-64.5	128.5	170.5	-175.4	0	0	0	0	107.8	G32 E36	G32-V34 PolarHBondContact O-N 3.22Å; V34-E36 PolarHBondContact O-N 2.75Å
35	K	58.7	Low	54	Low	156 Å²	156	97.2 Å²	97.2	68%	0.678	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-54.1	125.8	172.3	-81.1	-177.7	174.6	178.4	0	109.3	S33 I37	S33-K35 PolarHBondContact O-N 3.29Å; K35-I37 PolarHBondContact O-N 3.48Å
36	E	75.2	Confident	54.9	Low	174 Å²	174	96.5 Å²	96.5	81%	0.813	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-63.1	129	-175.3	-165.4	170.4	-161	0	0	110.5	V34 P38	V34-E36 PolarHBondContact O-N 2.75Å; E36-P38 WeakPolarHBondContact O-CD 3.12Å
37	I	87.4	Confident	55.5	Low	22 Å²	22	91.7 Å²	91.7	11%	0.113	59%	0.587	C	S	.	*	P	Polyproline II helix	trans	-65.4	123.3	179.6	-61.4	175.3	0	0	0	107.7	K35 S39 Q42 I338 K339 W386	K35-I37 PolarHBondContact O-N 3.48Å; I37-S39 PolarHBondContact O-N 2.95Å; I37-Q42 HydrophobicContact CB-CG 4.27Å; I37-Q42 HydrophobicContact CG2-CG 3.98Å; I37-Q42 PolarHBondContact O-NE2 3.34Å; I37-I338 HydrophobicContact CD1-CG2 4.49Å; I37-I338 HydrophobicContact CG2-CG2 4.34Å; I37-K339 WeakPolarHBondContact CD1-O 3.41Å; I37-W386 HydrophobicContact CB-CE3 4.35Å; I37-W386 HydrophobicContact CD1-CB 3.92Å; I37-W386 HydrophobicContact CD1-CG 4.45Å; I37-W386 HydrophobicContact CG1-CB 3.87Å; I37-W386 HydrophobicContact CG1-CD2 3.96Å; I37-W386 HydrophobicContact CG1-CE3 4.04Å; I37-W386 HydrophobicContact CG1-CG 3.9Å; I37-W386 HydrophobicContact CG2-CD2 4.42Å; I37-W386 HydrophobicContact CG2-CE3 3.75Å; I37-W386 HydrophobicContact CG2-CZ3 3.93Å
38	P	89.9	Confident	55.6	Low	48 Å²	48	96.6 Å²	96.6	31%	0.312	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-56.8	141.2	-179.7	-23.9	33.1	0	0	0	111.7	E36 H40 Y41 Q42 W386	E36-P38 WeakPolarHBondContact O-CD 3.12Å; P38-H40 WeakPolarHBondContact CB-CE1 3.47Å; P38-H40 PolarHBondContact O-N 2.82Å; P38-H40 VanDerWaalsContact O-N 3.1Å; P38-Y41 HydrophobicContact CB-CD2 4.23Å; P38-Y41 HydrophobicContact CG-CD2 4.4Å; P38-Y41 WeakPolarHBondContact O-CA 3.3Å; P38-Y41 PolarHBondContact O-N 2.98Å; P38-Q42 PolarHBondContact O-N 3.04Å; P38-W386 HydrophobicContact CG-CH2 4.18Å; P38-W386 HydrophobicContact CG-CZ2 4.39Å
39	S	88.3	Confident	55.8	Low	93 Å²	93	99 Å²	99	65%	0.65	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-56.2	-33.7	-169.2	55.5	0	0	0	0	114	I37 Y41 Q42	I37-S39 PolarHBondContact O-N 2.95Å; S39-Y41 VanDerWaalsContact C-N 3.27Å; S39-Y41 PolarHBondContact O-N 3.25Å; S39-Q42 PolarHBondContact O-N 3.38Å; S39-Q42 VanDerWaalsContact O-N 3.14Å
40	H	86.1	Confident	55.9	Low	41 Å²	41	99.4 Å²	99.4	19%	0.19	58%	0.58	C	S	.	*	G	3₁₀ helix	trans	-71.1	-15.6	176.3	56.3	-64.3	0	0	0	114.8	P38 L365 N367 N372 E378	P38-H40 WeakPolarHBondContact CB-CE1 3.47Å; P38-H40 PolarHBondContact O-N 2.82Å; P38-H40 VanDerWaalsContact O-N 3.1Å; H40-L365 HydrophobicContact CB-CD2 4.26Å; H40-L365 VanDerWaalsContact CD2-CD2 3.5Å; H40-L365 WeakPolarHBondContact CD2-CD2 3.41Å; H40-L365 WeakPolarHBondContact O-CD2 3.49Å; H40-N367 PolarHBondContact O-ND2 3.17Å; H40-N372 HydrophobicContact CB-CB 4.3Å; H40-N372 WeakPolarHBondContact CB-ND2 3.45Å; H40-E378 IonicContact CD2-OE1 2.7Å; H40-E378 IonicContact CE1-OE1 2.97Å; H40-E378 IonicContact NE2-OE1 3.76Å; H40-E378 PolarHBondContact NE2-OE1 3.07Å
41	Y	88.9	Confident	55.7	Low	3 Å²	3	105 Å²	105	1%	0.012	59%	0.586	C	S	.	*	G	3₁₀ helix	trans	-97.6	-5.6	169	-75.3	-86.4	0	0	0	113.4	P38 S39 I338 H345 V347 L365 E378 W386 K387	P38-Y41 HydrophobicContact CB-CD2 4.23Å; P38-Y41 HydrophobicContact CG-CD2 4.4Å; P38-Y41 WeakPolarHBondContact O-CA 3.3Å; P38-Y41 PolarHBondContact O-N 2.98Å; S39-Y41 VanDerWaalsContact C-N 3.27Å; S39-Y41 PolarHBondContact O-N 3.25Å; Y41-I338 HydrophobicContact CD1-CD1 3.62Å; Y41-I338 HydrophobicContact CD1-CG1 4.07Å; Y41-I338 HydrophobicContact CE1-CD1 4.19Å; Y41-H345 PolarHBondContact O-CE1 2.94Å; Y41-H345 PolarHBondContact O-NE2 3.41Å; Y41-H345 VanDerWaalsContact O-NE2 3.14Å; Y41-V347 HydrophobicContact CD1-CG2 3.98Å; Y41-V347 HydrophobicContact CE1-CG2 3.95Å; Y41-L365 HydrophobicContact CD1-CD1 3.97Å; Y41-L365 HydrophobicContact CD1-CD2 3.78Å; Y41-L365 HydrophobicContact CD2-CD2 3.83Å; Y41-L365 HydrophobicContact CE1-CD1 3.42Å; Y41-L365 VanDerWaalsContact CE1-CD1 3.42Å; Y41-L365 HydrophobicContact CE1-CD2 3.74Å; Y41-L365 HydrophobicContact CE1-CG 4.23Å; Y41-L365 HydrophobicContact CE2-CD2 3.79Å; Y41-L365 HydrophobicContact CG-CD2 3.84Å; Y41-E378 VanDerWaalsContact CE2-OE1 3.3Å; Y41-E378 WeakPolarHBondContact CE2-OE1 3.3Å; Y41-W386 HydrophobicContact CD1-CZ3 4.05Å; Y41-W386 HydrophobicContact CD2-CH2 4.03Å; Y41-W386 HydrophobicContact CD2-CZ3 4.1Å; Y41-W386 HydrophobicContact CE2-CH2 4.3Å; Y41-W386 HydrophobicContact CG-CH2 4.17Å; Y41-W386 AromaticContact CG-CZ3 3.76Å; Y41-W386 HydrophobicContact CG-CZ3 3.76Å; Y41-K387 HydrophobicContact CE1-CD 4.14Å; Y41-K387 PolarHBondContact OH-NZ 3.01Å
42	Q	86.4	Confident	55.6	Low	79 Å²	79	101.8 Å²	101.8	37%	0.369	58%	0.58	S	S	.	*	S	Bend	trans	-75.8	145.7	176.7	-63.7	-176.3	11.6	0	0	110.3	I37 P38 S39 A44 N367	I37-Q42 HydrophobicContact CB-CG 4.27Å; I37-Q42 HydrophobicContact CG2-CG 3.98Å; I37-Q42 PolarHBondContact O-NE2 3.34Å; P38-Q42 PolarHBondContact O-N 3.04Å; S39-Q42 PolarHBondContact O-N 3.38Å; S39-Q42 VanDerWaalsContact O-N 3.14Å; Q42-A44 PolarHBondContact O-N 3.35Å; Q42-N367 PolarHBondContact O-ND2 3.38Å
43	K	77.8	Confident	55.4	Low	69 Å²	69	108.9 Å²	108.9	30%	0.3	60%	0.596	S	S	.	*			trans	-65.4	125.7	179.6	-166.9	173	-170.5	167.6	0	109.4	I45 H345	K43-I45 PolarHBondContact O-N 3.4Å; K43-H345 HydrophobicContact CD-CB 4.13Å; K43-H345 HydrophobicContact CG-CB 4.4Å; K43-H345 PolarHBondContact N-CE1 3.05Å
44	A	63.9	Low	55	Low	36 Å²	36	111.3 Å²	111.3	30%	0.298	59%	0.592	S	S	.	*			trans	-63.6	103.9	-179.9	0	0	0	0	0	111	Q42 P46	Q42-A44 PolarHBondContact O-N 3.35Å; A44-P46 WeakPolarHBondContact O-CD 3.12Å
45	I	55	Low	54	Low	118 Å²	118	113.5 Å²	113.5	61%	0.605	60%	0.595	S	S	*	*			trans	-75.4	120.7	179.8	-56.8	176.5	0	0	0	109.3	K43 G47	K43-I45 PolarHBondContact O-N 3.4Å; I45-G47 PolarHBondContact O-N 3.45Å
46	P	42.3	Very low	52.4	Low	113 Å²	113	112.2 Å²	112.2	73%	0.734	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	124	173.8	-20.3	33	0	0	0	110.8	A44	A44-P46 WeakPolarHBondContact O-CD 3.12Å
47	G	34.4	Very low	50.1	Low	82 Å²	82	107.4 Å²	107.4	85%	0.845	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	99.6	-13	169.8	0	0	0	0	0	117	I45	I45-G47 PolarHBondContact O-N 3.45Å
48	K	25.7	Very low	47	Very low	176 Å²	176	118 Å²	118	77%	0.765	62%	0.622	S	S	*	*			trans	-100.5	75	170.4	-84.1	-168.4	174.5	-176	0	111.9
49	F	28.1	Very low	44.1	Very low	181 Å²	181	120.4 Å²	120.4	79%	0.794	64%	0.635	S	S	*	*			trans	-118.6	107.3	152.2	-99.8	-90.5	0	0	0	107.8
50	V	24.7	Very low	41	Very low	139 Å²	139	121.1 Å²	121.1	84%	0.842	64%	0.64	S	S	*	*			trans	-64.9	141.8	162.5	177	0	0	0	0	107.3	C52	V50-C52 PolarHBondContact O-N 2.77Å
51	E	23.4	Very low	38	Very low	189 Å²	189	122.9 Å²	122.9	88%	0.883	66%	0.657	S	S	*	*			trans	-61.3	103.2	-170.8	-63.2	-178	125	0	0	112.7
52	C	23.5	Very low	35	Very low	122 Å²	122	128.5 Å²	128.5	82%	0.824	69%	0.687	S	S	*	*			trans	-95.7	127.2	151.2	-158.8	0	0	0	0	108.1	V50 Q54	V50-C52 PolarHBondContact O-N 2.77Å; C52-Q54 PolarHBondContact O-N 2.87Å
53	K	23.1	Very low	32.1	Very low	200 Å²	200	129.1 Å²	129.1	87%	0.87	70%	0.699	S	S	*	*	S	Bend	trans	-70.6	85.7	-165.3	-67.9	175.9	177.4	174.3	0	113
54	Q	24.7	Very low	29.4	Very low	184 Å²	184	128.3 Å²	128.3	86%	0.86	71%	0.71	S	S	*	*	S	Bend	trans	-164	110.8	152	-107.8	159.9	29.2	0	0	114	C52	C52-Q54 PolarHBondContact O-N 2.87Å
55	Q	26.5	Very low	27.7	Very low	159 Å²	159	132.8 Å²	132.8	74%	0.743	73%	0.729	S	S	*	*			trans	41.6	76.9	157.8	-67.7	-173.5	-11.8	0	0	120.9	K134	Q55-K134 PolarHBondContact O-NZ 3.33Å
56	T	24.5	Very low	26.2	Very low	128 Å²	128	136.1 Å²	136.1	79%	0.785	74%	0.742	S	S	*	*				26.8	118.4	128	34.8	0	0	0	0	119.6	K134	T56-K134 PolarHBondContact O-NZ 3Å
57	V	28.3	Very low	25.4	Very low	73 Å²	73	134.2 Å²	134.2	44%	0.442	74%	0.735	S	S	.	*			trans	-150.2	111.9	131.9	-178.9	0	0	0	0	109.9	T59 K134 R137	V57-T59 HydrophobicContact CG1-CG2 4.2Å; V57-K134 HydrophobicContact CG2-CD 3.69Å; V57-K134 HydrophobicContact CG2-CG 4.28Å; V57-R137 PolarHBondContact O-NH1 3.32Å; V57-R137 VanDerWaalsContact O-NH1 3.07Å
58	R	22.3	Very low	25.3	Very low	246 Å²	246	133.4 Å²	133.4	93%	0.928	72%	0.715	S	S	*	*			trans	-70	131.4	165.3	-69.5	178.7	175.5	170.6	-2.3	109.7
59	T	27.4	Very low	25.6	Very low	97 Å²	97	130.8 Å²	130.8	60%	0.595	71%	0.708	S	S	*	*			trans	-142.3	138.6	160.2	45.7	0	0	0	0	110.1	V57 R137	V57-T59 HydrophobicContact CG1-CG2 4.2Å; T59-R137 PolarHBondContact OG1-NH1 2.89Å
60	S	23.4	Very low	25.7	Very low	108 Å²	108	127.3 Å²	127.3	76%	0.755	70%	0.704	S	S	*	*			trans	-79.2	156.6	-173.8	35.6	0	0	0	0	114.4
61	S	24	Very low	26.2	Very low	78 Å²	78	125.4 Å²	125.4	55%	0.545	69%	0.689	S	S	.	*			trans	13	109.4	155.8	56.8	0	0	0	0	118.4
62	L	25.8	Very low	26.8	Very low	121 Å²	121	117.8 Å²	117.8	63%	0.634	66%	0.657	S	S	*	*			trans	-132.2	118	151.3	-103.6	162	0	0	0	107.9
63	C	24.4	Very low	28	Very low	92 Å²	92	118.2 Å²	118.2	62%	0.622	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-61.4	150.8	-175.4	-67.7	0	0	0	0	112.3
64	G	23.1	Very low	29.2	Very low	53 Å²	53	109.1 Å²	109.1	55%	0.546	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-67.6	145.4	167.7	0	0	0	0	0	110.6
65	L	27.1	Very low	30.9	Very low	130 Å²	130	101 Å²	101	68%	0.681	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-61.6	146.3	159.1	-82.6	154.8	0	0	0	109.2
66	E	23.8	Very low	32.2	Very low	188 Å²	188	94.3 Å²	94.3	88%	0.879	54%	0.536	S	S	*	.			trans	-67.9	178.3	-174.8	-63.6	175.8	137.9	0	0	112.9
67	A	25.7	Very low	33.8	Very low	73 Å²	73	88.2 Å²	88.2	60%	0.603	50%	0.499	S	S	*	.	S	Bend	trans	-46.8	150.9	-167.1	0	0	0	0	0	115.5	I69	A67-I69 PolarHBondContact O-N 2.63Å
68	P	31	Very low	35.6	Very low	64 Å²	64	84.8 Å²	84.8	42%	0.416	48%	0.478	S	S	.	.			trans	-69.8	90.1	-178.1	30.7	-36.9	0	0	0	111.9	Y337	P68-Y337 HydrophobicContact CB-CE2 4.36Å; P68-Y337 VanDerWaalsContact CB-OH 3.27Å; P68-Y337 WeakPolarHBondContact CB-OH 3.01Å; P68-Y337 WeakPolarHBondContact CG-OH 3.42Å
69	I	31.8	Very low	37.6	Very low	122 Å²	122	73.4 Å²	73.4	63%	0.626	44%	0.436	S	S	*	.			trans	-65.3	135.9	163.4	-40.4	176.6	0	0	0	107.3	A67 N71 S72	A67-I69 PolarHBondContact O-N 2.63Å; I69-N71 PolarHBondContact O-N 3.26Å; I69-S72 PolarHBondContact N-OG 2.82Å; I69-S72 WeakPolarHBondContact O-CB 3.32Å; I69-S72 PolarHBondContact O-N 2.97Å; I69-S72 PolarHBondContact O-OG 2.99Å
70	P	31.7	Very low	39.5	Very low	108 Å²	108	68.9 Å²	68.9	70%	0.701	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	127.6	164.9	-23.7	33.9	0	0	0	109.4
71	N	34.8	Very low	41.7	Very low	98 Å²	98	64 Å²	64	52%	0.524	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	15.5	-169.1	-38.2	-83	0	0	0	116.4	I69 R155	I69-N71 PolarHBondContact O-N 3.26Å; N71-R155 PolarHBondContact OD1-NE 3.06Å; N71-R155 PolarHBondContact OD1-NH2 3.36Å
72	S	36.4	Very low	43.9	Very low	30 Å²	30	60.3 Å²	60.3	21%	0.21	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-67.2	146.6	172.3	50.4	0	0	0	0	112.5	I69	I69-S72 PolarHBondContact N-OG 2.82Å; I69-S72 WeakPolarHBondContact O-CB 3.32Å; I69-S72 PolarHBondContact O-N 2.97Å; I69-S72 PolarHBondContact O-OG 2.99Å
73	Y	47.4	Very low	46.1	Very low	130 Å²	130	55 Å²	55	51%	0.51	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-66.5	133.7	-162.4	-59.9	-98.5	0	0	0	113	N75 L152 A154	Y73-N75 PolarHBondContact O-N 3.5Å; Y73-L152 WeakPolarHBondContact CD1-O 3.33Å; Y73-A154 HydrophobicContact CD1-CB 4.04Å
74	V	49.2	Very low	48.6	Very low	10 Å²	10	51.8 Å²	51.8	6%	0.061	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-49.3	134.3	163.4	174.4	0	0	0	0	108.6	S76 L78 L79 A154 I335 I391	V74-S76 PolarHBondContact O-N 3.24Å; V74-S76 VanDerWaalsContact O-N 3.1Å; V74-L78 HydrophobicContact CG1-CB 3.99Å; V74-L79 HydrophobicContact CG1-CB 4.38Å; V74-A154 HydrophobicContact CB-CB 4.08Å; V74-A154 HydrophobicContact CG2-CB 4.14Å; V74-I335 HydrophobicContact CG1-CD1 3.8Å; V74-I335 HydrophobicContact CG2-CD1 3.92Å; V74-I335 HydrophobicContact CG2-CG2 4.24Å; V74-I391 HydrophobicContact CG2-CD1 4.25Å
75	N	59.6	Low	51.1	Low	14 Å²	14	52 Å²	52	8%	0.075	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-49.9	123.2	175	176.1	-2.7	0	0	0	109.1	Y73 V77 L78 L79 D368	Y73-N75 PolarHBondContact O-N 3.5Å; N75-V77 PolarHBondContact O-N 3.04Å; N75-V77 WeakPolarHBondContact OD1-CG2 3.29Å; N75-V77 PolarHBondContact OD1-N 2.92Å; N75-V77 VanDerWaalsContact OD1-N 3.13Å; N75-L78 HydrophobicContact CB-CD1 4Å; N75-L78 HydrophobicContact CB-CG 4.11Å; N75-L78 WeakPolarHBondContact O-CB 2.97Å; N75-L78 PolarHBondContact O-N 3.3Å; N75-L79 PolarHBondContact O-N 3.18Å; N75-D368 PolarHBondContact ND2-OD1 2.76Å
76	S	54.6	Low	53.3	Low	18 Å²	18	46.2 Å²	46.2	13%	0.126	25%	0.252	C	S	.	.	H	α-helix	trans	-53.6	-28.8	-175.3	45.6	0	0	0	0	113.3	V74 V80	V74-S76 PolarHBondContact O-N 3.24Å; V74-S76 VanDerWaalsContact O-N 3.1Å; S76-V80 WeakPolarHBondContact O-CB 3.29Å; S76-V80 VanDerWaalsContact O-CG2 3.23Å; S76-V80 WeakPolarHBondContact O-CG2 3.19Å; S76-V80 PolarHBondContact O-N 2.65Å
77	V	58.6	Low	55.7	Low	0 Å²	0	39 Å²	39	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.7	-52.9	170.2	176.3	0	0	0	0	112	N75 L79 V80 C81 V140 I143 K144	N75-V77 PolarHBondContact O-N 3.04Å; N75-V77 WeakPolarHBondContact OD1-CG2 3.29Å; N75-V77 PolarHBondContact OD1-N 2.92Å; N75-V77 VanDerWaalsContact OD1-N 3.13Å; V77-L79 VanDerWaalsContact C-N 3.32Å; V77-L79 PolarHBondContact O-N 2.88Å; V77-V80 PolarHBondContact O-N 2.69Å; V77-C81 WeakPolarHBondContact O-CB 3.07Å; V77-C81 PolarHBondContact O-N 2.82Å; V77-C81 PolarHBondContact O-SG 3.08Å; V77-V140 HydrophobicContact CB-CG2 4.31Å; V77-V140 HydrophobicContact CG1-CG2 3.53Å; V77-V140 HydrophobicContact CG2-CB 4.2Å; V77-V140 HydrophobicContact CG2-CG1 3.79Å; V77-V140 HydrophobicContact CG2-CG2 3.77Å; V77-I143 HydrophobicContact CG2-CB 4.41Å; V77-I143 HydrophobicContact CG2-CG2 4.17Å; V77-K144 HydrophobicContact CG2-CG 4.2Å
78	L	65	Low	57.9	Low	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64	-42	-177.8	-57.8	173.3	0	0	0	110.6	V74 N75 C81 I82 W346 A348 I366	V74-L78 HydrophobicContact CG1-CB 3.99Å; N75-L78 HydrophobicContact CB-CD1 4Å; N75-L78 HydrophobicContact CB-CG 4.11Å; N75-L78 WeakPolarHBondContact O-CB 2.97Å; N75-L78 PolarHBondContact O-N 3.3Å; L78-C81 PolarHBondContact O-N 3.04Å; L78-I82 WeakPolarHBondContact O-CB 3.23Å; L78-I82 WeakPolarHBondContact O-CD1 3.39Å; L78-I82 WeakPolarHBondContact O-CG1 3.46Å; L78-I82 PolarHBondContact O-N 2.98Å; L78-W346 VanDerWaalsContact CD1-C 3.49Å; L78-W346 HydrophobicContact CD1-CB 3.55Å; L78-W346 WeakPolarHBondContact CD1-O 3.13Å; L78-A348 HydrophobicContact CB-CB 4.22Å; L78-A348 HydrophobicContact CD2-CB 3.93Å; L78-A348 HydrophobicContact CG-CB 4.49Å; L78-I366 HydrophobicContact CD2-CB 3.99Å; L78-I366 HydrophobicContact CD2-CG2 3.65Å
79	L	65.9	Low	60.1	Low	8 Å²	8	33.2 Å²	33.2	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-55.6	-52.3	173.3	176.2	58.4	0	0	0	110.9	V74 N75 V77 I82 L83 L152 L157	V74-L79 HydrophobicContact CG1-CB 4.38Å; N75-L79 PolarHBondContact O-N 3.18Å; V77-L79 VanDerWaalsContact C-N 3.32Å; V77-L79 PolarHBondContact O-N 2.88Å; L79-I82 PolarHBondContact O-N 2.86Å; L79-L83 HydrophobicContact CD1-CD1 3.6Å; L79-L83 HydrophobicContact CD1-CG 4.09Å; L79-L83 HydrophobicContact CG-CD1 3.89Å; L79-L83 WeakPolarHBondContact O-CB 3.44Å; L79-L83 WeakPolarHBondContact O-CD1 3.5Å; L79-L83 WeakPolarHBondContact O-CG 3.29Å; L79-L83 PolarHBondContact O-N 3.22Å; L79-L152 HydrophobicContact CD2-CB 4.14Å; L79-L152 HydrophobicContact CD2-CD1 4.02Å; L79-L157 HydrophobicContact CD1-CD2 3.31Å; L79-L157 HydrophobicContact CD1-CG 3.83Å
80	V	67.2	Low	62.4	Low	1 Å²	1	28.7 Å²	28.7	1%	0.006	15%	0.149	C	C	.	.	H	α-helix	trans	-63.2	-43.4	178.8	170.6	0	0	0	0	111.8	S76 V77 L83 Y84 L108 L111 F112 L115 I143 V147	S76-V80 WeakPolarHBondContact O-CB 3.29Å; S76-V80 VanDerWaalsContact O-CG2 3.23Å; S76-V80 WeakPolarHBondContact O-CG2 3.19Å; S76-V80 PolarHBondContact O-N 2.65Å; V77-V80 PolarHBondContact O-N 2.69Å; V80-L83 PolarHBondContact O-N 3.15Å; V80-Y84 VanDerWaalsContact O-CB 3.23Å; V80-Y84 WeakPolarHBondContact O-CB 3.23Å; V80-Y84 PolarHBondContact O-N 3.31Å; V80-L108 HydrophobicContact CG1-CD1 4.46Å; V80-L108 HydrophobicContact CG2-CD1 3.79Å; V80-L111 HydrophobicContact CG1-CB 4.14Å; V80-L111 HydrophobicContact CG2-CD1 3.92Å; V80-F112 HydrophobicContact CG1-CD1 4.07Å; V80-F112 HydrophobicContact CG1-CE1 3.93Å; V80-F112 WeakPolarHBondContact O-CE1 3.21Å; V80-L115 HydrophobicContact CG1-CD1 3.88Å; V80-I143 HydrophobicContact CB-CD1 4.22Å; V80-I143 HydrophobicContact CB-CG1 4.48Å; V80-I143 HydrophobicContact CB-CG2 4.1Å; V80-I143 HydrophobicContact CG1-CD1 3.81Å; V80-I143 HydrophobicContact CG1-CG1 4.09Å; V80-I143 HydrophobicContact CG2-CG2 3.75Å; V80-V147 HydrophobicContact CG2-CG2 4.22Å
81	C	68	Low	64.5	Low	5 Å²	5	26.6 Å²	26.6	3%	0.034	13%	0.127	C	C	.	.	H	α-helix	trans	-59.7	-49.6	176.6	-69.4	0	0	0	0	111.6	V77 L78 L83 Y84 H85 I366	V77-C81 WeakPolarHBondContact O-CB 3.07Å; V77-C81 PolarHBondContact O-N 2.82Å; V77-C81 PolarHBondContact O-SG 3.08Å; L78-C81 PolarHBondContact O-N 3.04Å; C81-L83 PolarHBondContact O-N 2.77Å; C81-Y84 WeakPolarHBondContact O-CB 3.18Å; C81-Y84 PolarHBondContact O-N 3.16Å; C81-Y84 VanDerWaalsContact O-N 3.17Å; C81-H85 PolarHBondContact O-CD2 3.15Å; C81-H85 PolarHBondContact O-N 2.89Å; C81-I366 HydrophobicContact CB-CD1 3.78Å
82	I	70.2	Confident	66.5	Low	2 Å²	2	25.1 Å²	25.1	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-59.5	-48.1	179.7	-70.2	163.8	0	0	0	111	L78 L79 Y84 H85 V86 L157 A333 I335 A348 I350 L393	L78-I82 WeakPolarHBondContact O-CB 3.23Å; L78-I82 WeakPolarHBondContact O-CD1 3.39Å; L78-I82 WeakPolarHBondContact O-CG1 3.46Å; L78-I82 PolarHBondContact O-N 2.98Å; L79-I82 PolarHBondContact O-N 2.86Å; I82-Y84 VanDerWaalsContact C-N 3.27Å; I82-Y84 PolarHBondContact O-N 3.44Å; I82-H85 PolarHBondContact O-N 2.7Å; I82-H85 VanDerWaalsContact O-N 3.15Å; I82-V86 PolarHBondContact O-N 3.37Å; I82-L157 HydrophobicContact CG2-CD2 4.01Å; I82-A333 HydrophobicContact CD1-CB 4.34Å; I82-A333 HydrophobicContact CG1-CB 3.99Å; I82-A333 HydrophobicContact CG2-CB 3.82Å; I82-I335 HydrophobicContact CD1-CD1 3.51Å; I82-I335 HydrophobicContact CD1-CG1 3.39Å; I82-A348 HydrophobicContact CD1-CB 3.79Å; I82-A348 HydrophobicContact CG1-CB 4.13Å; I82-I350 HydrophobicContact CG1-CG2 3.85Å; I82-L393 HydrophobicContact CG2-CD2 3.52Å
83	L	73.7	Confident	68.6	Low	8 Å²	8	23.7 Å²	23.7	4%	0.042	10%	0.104	C	C	.	.	H	α-helix	trans	-65.7	-31	179.2	-62.5	167.7	0	0	0	112	L79 V80 C81 L89 L108 F112 L157 L159	L79-L83 HydrophobicContact CD1-CD1 3.6Å; L79-L83 HydrophobicContact CD1-CG 4.09Å; L79-L83 HydrophobicContact CG-CD1 3.89Å; L79-L83 WeakPolarHBondContact O-CB 3.44Å; L79-L83 WeakPolarHBondContact O-CD1 3.5Å; L79-L83 WeakPolarHBondContact O-CG 3.29Å; L79-L83 PolarHBondContact O-N 3.22Å; V80-L83 PolarHBondContact O-N 3.15Å; C81-L83 PolarHBondContact O-N 2.77Å; L83-L89 HydrophobicContact CB-CD2 3.87Å; L83-L89 HydrophobicContact CD2-CD2 3.54Å; L83-L89 HydrophobicContact CG-CD2 4.29Å; L83-L108 HydrophobicContact CD1-CD2 4.38Å; L83-F112 VanDerWaalsContact C-CZ 3.48Å; L83-F112 HydrophobicContact CB-CE1 4.32Å; L83-F112 HydrophobicContact CB-CZ 3.73Å; L83-L157 HydrophobicContact CD2-CD2 3.79Å; L83-L157 HydrophobicContact CG-CD2 4.05Å; L83-L159 HydrophobicContact CD1-CD1 4.09Å; L83-L159 HydrophobicContact CD1-CD2 3.84Å; L83-L159 HydrophobicContact CD1-CG 4.19Å; L83-L159 HydrophobicContact CD2-CD1 3.9Å; L83-L159 HydrophobicContact CD2-CG 4.12Å
84	Y	76.3	Confident	70.2	Confident	26 Å²	26	18.8 Å²	18.8	10%	0.102	9%	0.087	C	C	.	.	H	α-helix	trans	-69	-36.1	172.9	-178.8	-93.4	0	0	0	112.1	V80 C81 I82 V86 R90 F112 L115 Q116	V80-Y84 VanDerWaalsContact O-CB 3.23Å; V80-Y84 WeakPolarHBondContact O-CB 3.23Å; V80-Y84 PolarHBondContact O-N 3.31Å; C81-Y84 WeakPolarHBondContact O-CB 3.18Å; C81-Y84 PolarHBondContact O-N 3.16Å; C81-Y84 VanDerWaalsContact O-N 3.17Å; I82-Y84 VanDerWaalsContact C-N 3.27Å; I82-Y84 PolarHBondContact O-N 3.44Å; Y84-V86 VanDerWaalsContact C-N 3.3Å; Y84-V86 PolarHBondContact O-N 3.2Å; Y84-R90 HydrophobicContact CD2-CG 3.64Å; Y84-R90 HydrophobicContact CE2-CG 3.75Å; Y84-R90 HydrophobicContact CG-CG 4.21Å; Y84-R90 WeakPolarHBondContact O-CB 3.24Å; Y84-R90 VanDerWaalsContact O-CD 3.23Å; Y84-R90 WeakPolarHBondContact O-CD 3.32Å; Y84-R90 WeakPolarHBondContact O-CG 3.24Å; Y84-F112 HydrophobicContact CD2-CB 3.85Å; Y84-F112 AromaticContact CD2-CD1 3.84Å; Y84-F112 HydrophobicContact CD2-CD1 3.84Å; Y84-F112 HydrophobicContact CD2-CD2 4.25Å; Y84-F112 HydrophobicContact CD2-CE1 4.44Å; Y84-F112 AromaticContact CD2-CG 3.73Å; Y84-F112 HydrophobicContact CD2-CG 3.73Å; Y84-F112 HydrophobicContact CE2-CB 4.22Å; Y84-F112 VanDerWaalsContact CE2-O 3.27Å; Y84-F112 WeakPolarHBondContact CE2-O 3.4Å; Y84-F112 HydrophobicContact CG-CD1 4.43Å; Y84-L115 HydrophobicContact CD1-CD1 4.42Å; Y84-L115 HydrophobicContact CD2-CB 4.03Å; Y84-L115 HydrophobicContact CD2-CD1 3.88Å; Y84-L115 HydrophobicContact CE1-CB 4.38Å; Y84-L115 HydrophobicContact CE2-CB 3.73Å; Y84-L115 HydrophobicContact CE2-CD1 4.45Å; Y84-L115 HydrophobicContact CG-CB 4.48Å; Y84-L115 HydrophobicContact CG-CD1 3.87Å; Y84-Q116 HydrophobicContact CE2-CB 4.47Å; Y84-Q116 VanDerWaalsContact OH-CA 3.31Å; Y84-Q116 WeakPolarHBondContact OH-CA 3.26Å; Y84-Q116 PolarHBondContact OH-N 3.26Å
85	H	75.1	Confident	71.6	Confident	58 Å²	58	18.9 Å²	18.9	27%	0.269	9%	0.088	S	C	.	.	H	α-helix	trans	-74.9	-16.5	178.3	-75	-68.3	0	0	0	114	C81 I82 E87 I350	C81-H85 PolarHBondContact O-CD2 3.15Å; C81-H85 PolarHBondContact O-N 2.89Å; I82-H85 PolarHBondContact O-N 2.7Å; I82-H85 VanDerWaalsContact O-N 3.15Å; H85-E87 PolarHBondContact O-N 3.48Å; H85-I350 WeakPolarHBondContact CD2-CD1 3.35Å; H85-I350 WeakPolarHBondContact NE2-CD1 3.35Å
86	V	73.6	Confident	72.5	Confident	8 Å²	8	20.1 Å²	20.1	5%	0.048	9%	0.093	C	C	.	.	S	Bend	trans	-75.5	87.9	167.6	-177.7	0	0	0	0	109.3	I82 Y84 P88 L89 R90 V226 L393	I82-V86 PolarHBondContact O-N 3.37Å; Y84-V86 VanDerWaalsContact C-N 3.3Å; Y84-V86 PolarHBondContact O-N 3.2Å; V86-P88 VanDerWaalsContact C-CD 3.42Å; V86-L89 HydrophobicContact CB-CB 3.97Å; V86-L89 HydrophobicContact CB-CD2 4.33Å; V86-L89 HydrophobicContact CG1-CB 3.71Å; V86-L89 CarbonylContact O-C 3.51Å; V86-L89 WeakPolarHBondContact O-CA 3.41Å; V86-L89 VanDerWaalsContact O-CB 3.32Å; V86-L89 WeakPolarHBondContact O-CB 3.43Å; V86-L89 PolarHBondContact O-N 3.48Å; V86-R90 PolarHBondContact O-N 3.3Å; V86-V226 HydrophobicContact CG1-CG2 4.2Å; V86-L393 HydrophobicContact CG2-CD2 3.64Å
87	E	73.9	Confident	73.5	Confident	37 Å²	37	21.6 Å²	21.6	17%	0.173	10%	0.099	C	C	.	.	H	α-helix	trans	-46.6	-44.3	-170.5	177.6	63.5	-173.2	0	0	117	H85 R90 R91 L353 N400	H85-E87 PolarHBondContact O-N 3.48Å; E87-R90 WeakPolarHBondContact O-CB 3.42Å; E87-R90 PolarHBondContact O-N 3.12Å; E87-R90 IonicContact OE1-CZ 3.51Å; E87-R90 IonicContact OE1-NH2 2.76Å; E87-R90 PolarHBondContact OE1-NH2 3.4Å; E87-R90 IonicContact OE2-CZ 2.73Å; E87-R90 IonicContact OE2-NE 3.12Å; E87-R90 PolarHBondContact OE2-NE 3.28Å; E87-R90 IonicContact OE2-NH2 2.91Å; E87-R90 PolarHBondContact OE2-NH2 2.63Å; E87-R91 WeakPolarHBondContact O-CG 3.41Å; E87-R91 PolarHBondContact O-N 2.97Å; E87-R91 IonicContact OE1-CZ 3.65Å; E87-R91 IonicContact OE1-NE 2.77Å; E87-R91 PolarHBondContact OE1-NE 3.47Å; E87-R91 IonicContact OE1-NH2 3.86Å; E87-R91 PolarHBondContact OE1-NH2 2.96Å; E87-L353 HydrophobicContact CB-CD1 4.36Å; E87-N400 VanDerWaalsContact CG-ND2 3.27Å; E87-N400 WeakPolarHBondContact CG-ND2 3.5Å; E87-N400 WeakPolarHBondContact CG-OD1 3.27Å
88	P	72.6	Confident	74.3	Confident	11 Å²	11	23.4 Å²	23.4	7%	0.071	11%	0.111	C	C	.	.	H	α-helix	trans	-70.9	-36.9	177.3	-2.2	12.6	0	0	0	112.1	V86 R90 R91 R92 I167 L399 N400	V86-P88 VanDerWaalsContact C-CD 3.42Å; P88-R90 VanDerWaalsContact C-N 3.35Å; P88-R91 PolarHBondContact O-N 3.05Å; P88-R92 VanDerWaalsContact O-CB 3.3Å; P88-R92 WeakPolarHBondContact O-CB 3.49Å; P88-R92 PolarHBondContact O-N 3.28Å; P88-I167 HydrophobicContact CB-CD1 4.05Å; P88-L399 HydrophobicContact CB-CB 4.14Å; P88-L399 HydrophobicContact CG-CB 3.22Å; P88-L399 HydrophobicContact CG-CD1 4.17Å; P88-L399 HydrophobicContact CG-CG 4.29Å; P88-N400 WeakPolarHBondContact CG-OD1 3.32Å
89	L	76.8	Confident	74.8	Confident	4 Å²	4	33.5 Å²	33.5	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-64.2	-43.4	173.6	173.6	63.9	0	0	0	110.1	L83 V86 R91 R92 V93 L159 V164 I167	L83-L89 HydrophobicContact CB-CD2 3.87Å; L83-L89 HydrophobicContact CD2-CD2 3.54Å; L83-L89 HydrophobicContact CG-CD2 4.29Å; V86-L89 HydrophobicContact CB-CB 3.97Å; V86-L89 HydrophobicContact CB-CD2 4.33Å; V86-L89 HydrophobicContact CG1-CB 3.71Å; V86-L89 CarbonylContact O-C 3.51Å; V86-L89 WeakPolarHBondContact O-CA 3.41Å; V86-L89 VanDerWaalsContact O-CB 3.32Å; V86-L89 WeakPolarHBondContact O-CB 3.43Å; V86-L89 PolarHBondContact O-N 3.48Å; L89-R91 PolarHBondContact O-N 3.44Å; L89-R92 PolarHBondContact O-N 3.06Å; L89-V93 HydrophobicContact CD1-CG2 3.72Å; L89-V93 HydrophobicContact CG-CG2 4.25Å; L89-V93 WeakPolarHBondContact O-CB 3.49Å; L89-V93 VanDerWaalsContact O-CG2 3.29Å; L89-V93 WeakPolarHBondContact O-CG2 3.49Å; L89-V93 PolarHBondContact O-N 2.87Å; L89-L159 HydrophobicContact CD1-CD1 3.9Å; L89-L159 HydrophobicContact CD2-CD1 3.96Å; L89-L159 HydrophobicContact CG-CD1 4.49Å; L89-V164 HydrophobicContact CD1-CB 4.29Å; L89-V164 HydrophobicContact CD1-CG1 3.48Å; L89-V164 VanDerWaalsContact CD1-CG1 3.48Å; L89-I167 HydrophobicContact CB-CD1 4.31Å
90	R	79.6	Confident	75.1	Confident	27 Å²	27	41.3 Å²	41.3	10%	0.102	18%	0.184	C	C	.	.	H	α-helix	trans	-53.9	-52.9	173.6	-169.3	-171.7	62.8	92.8	-6.2	111.3	Y84 V86 E87 P88 L94 F112 Q116	Y84-R90 HydrophobicContact CD2-CG 3.64Å; Y84-R90 HydrophobicContact CE2-CG 3.75Å; Y84-R90 HydrophobicContact CG-CG 4.21Å; Y84-R90 WeakPolarHBondContact O-CB 3.24Å; Y84-R90 VanDerWaalsContact O-CD 3.23Å; Y84-R90 WeakPolarHBondContact O-CD 3.32Å; Y84-R90 WeakPolarHBondContact O-CG 3.24Å; V86-R90 PolarHBondContact O-N 3.3Å; E87-R90 WeakPolarHBondContact O-CB 3.42Å; E87-R90 PolarHBondContact O-N 3.12Å; E87-R90 IonicContact OE1-CZ 3.51Å; E87-R90 IonicContact OE1-NH2 2.76Å; E87-R90 PolarHBondContact OE1-NH2 3.4Å; E87-R90 IonicContact OE2-CZ 2.73Å; E87-R90 IonicContact OE2-NE 3.12Å; E87-R90 PolarHBondContact OE2-NE 3.28Å; E87-R90 IonicContact OE2-NH2 2.91Å; E87-R90 PolarHBondContact OE2-NH2 2.63Å; P88-R90 VanDerWaalsContact C-N 3.35Å; R90-L94 HydrophobicContact CG-CD1 3.91Å; R90-L94 VanDerWaalsContact O-CB 3.27Å; R90-L94 WeakPolarHBondContact O-CB 3.45Å; R90-L94 WeakPolarHBondContact O-CD1 3.16Å; R90-L94 WeakPolarHBondContact O-CG 3.42Å; R90-L94 PolarHBondContact O-N 2.88Å; R90-F112 HydrophobicContact CB-CD2 4.46Å; R90-F112 HydrophobicContact CB-CE2 4.45Å; R90-F112 HydrophobicContact CG-CD2 4.09Å; R90-F112 HydrophobicContact CG-CE2 4.5Å; R90-Q116 VanDerWaalsContact NH1-OE1 3.11Å
91	R	76.2	Confident	75.1	Confident	64 Å²	64	44.2 Å²	44.2	24%	0.242	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-45.9	176.8	-69.3	175.6	-170	-155.6	15.5	112	E87 P88 L89 L94 S95 D405	E87-R91 WeakPolarHBondContact O-CG 3.41Å; E87-R91 PolarHBondContact O-N 2.97Å; E87-R91 IonicContact OE1-CZ 3.65Å; E87-R91 IonicContact OE1-NE 2.77Å; E87-R91 PolarHBondContact OE1-NE 3.47Å; E87-R91 IonicContact OE1-NH2 3.86Å; E87-R91 PolarHBondContact OE1-NH2 2.96Å; P88-R91 PolarHBondContact O-N 3.05Å; L89-R91 PolarHBondContact O-N 3.44Å; R91-L94 PolarHBondContact O-N 2.96Å; R91-S95 PolarHBondContact O-N 3.05Å; R91-D405 WeakPolarHBondContact CD-OD1 3.48Å; R91-D405 IonicContact CZ-OD2 2.73Å; R91-D405 IonicContact NE-OD2 3.83Å; R91-D405 IonicContact NH1-OD2 3.07Å; R91-D405 PolarHBondContact NH1-OD2 3.05Å
92	R	77.7	Confident	75.2	Confident	67 Å²	67	52 Å²	52	25%	0.253	24%	0.235	S	C	.	.	H	α-helix	trans	-63.2	-45.8	-179.2	-177.2	53	170.9	157.7	-8.7	112	P88 L89 S95 H96 F165 I167	P88-R92 VanDerWaalsContact O-CB 3.3Å; P88-R92 WeakPolarHBondContact O-CB 3.49Å; P88-R92 PolarHBondContact O-N 3.28Å; L89-R92 PolarHBondContact O-N 3.06Å; R92-S95 PolarHBondContact O-N 3.3Å; R92-S95 PolarHBondContact O-OG 3.47Å; R92-H96 PolarHBondContact O-N 3.06Å; R92-F165 PolarHBondContact NE-O 3.4Å; R92-F165 PolarHBondContact NH2-O 3.44Å; R92-I167 HydrophobicContact CB-CD1 4.1Å
93	V	80.2	Confident	75.4	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-47.4	176.5	168.7	0	0	0	0	110.4	L89 S95 H96 T105 L108 S109 F112	L89-V93 HydrophobicContact CD1-CG2 3.72Å; L89-V93 HydrophobicContact CG-CG2 4.25Å; L89-V93 WeakPolarHBondContact O-CB 3.49Å; L89-V93 VanDerWaalsContact O-CG2 3.29Å; L89-V93 WeakPolarHBondContact O-CG2 3.49Å; L89-V93 PolarHBondContact O-N 2.87Å; V93-S95 PolarHBondContact O-N 2.97Å; V93-S95 VanDerWaalsContact O-N 3.17Å; V93-H96 PolarHBondContact O-N 3.3Å; V93-T105 HydrophobicContact CG2-CG2 4.27Å; V93-L108 HydrophobicContact CG1-CB 3.84Å; V93-L108 HydrophobicContact CG1-CD2 3.97Å; V93-L108 HydrophobicContact CG1-CG 3.78Å; V93-L108 HydrophobicContact CG2-CD2 3.99Å; V93-S109 WeakPolarHBondContact O-CB 3.43Å; V93-S109 PolarHBondContact O-OG 2.85Å; V93-F112 HydrophobicContact CB-CD2 3.67Å; V93-F112 HydrophobicContact CB-CE2 3.58Å; V93-F112 HydrophobicContact CG1-CD2 3.43Å; V93-F112 VanDerWaalsContact CG1-CD2 3.43Å; V93-F112 HydrophobicContact CG1-CE2 3.59Å; V93-F112 HydrophobicContact CG1-CG 4.14Å; V93-F112 HydrophobicContact CG1-CZ 4.4Å; V93-F112 HydrophobicContact CG2-CE2 3.94Å
94	L	80	Confident	75.4	Confident	27 Å²	27	54.5 Å²	54.5	14%	0.141	25%	0.249	C	C	.	.	H	α-helix	trans	-58.3	-26.7	175.2	-75.7	169.4	0	0	0	113.9	R90 R91 S109 F112 H113 Q116	R90-L94 HydrophobicContact CG-CD1 3.91Å; R90-L94 VanDerWaalsContact O-CB 3.27Å; R90-L94 WeakPolarHBondContact O-CB 3.45Å; R90-L94 WeakPolarHBondContact O-CD1 3.16Å; R90-L94 WeakPolarHBondContact O-CG 3.42Å; R90-L94 PolarHBondContact O-N 2.88Å; R91-L94 PolarHBondContact O-N 2.96Å; L94-S109 WeakPolarHBondContact CA-OG 3.47Å; L94-S109 PolarHBondContact O-OG 2.75Å; L94-F112 HydrophobicContact CD2-CB 3.68Å; L94-F112 HydrophobicContact CG-CB 3.98Å; L94-F112 HydrophobicContact CG-CD2 4.49Å; L94-H113 HydrophobicContact CD2-CB 4.09Å; L94-Q116 VanDerWaalsContact CD1-OE1 3.23Å
95	S	78.2	Confident	75.4	Confident	12 Å²	12	53.3 Å²	53.3	8%	0.084	25%	0.245	C	C	.	.	H	α-helix	trans	-79.1	-16.8	173.6	75.8	0	0	0	0	114.6	R91 R92 V93 L97 M406	R91-S95 PolarHBondContact O-N 3.05Å; R92-S95 PolarHBondContact O-N 3.3Å; R92-S95 PolarHBondContact O-OG 3.47Å; V93-S95 PolarHBondContact O-N 2.97Å; V93-S95 VanDerWaalsContact O-N 3.17Å; S95-L97 PolarHBondContact O-N 3.43Å; S95-M406 WeakPolarHBondContact CB-O 3.11Å
96	H	78.3	Confident	75.5	Confident	39 Å²	39	50.6 Å²	50.6	18%	0.181	23%	0.232	C	C	.	.			trans	-86.5	97.4	-168.7	-169.8	99.6	0	0	0	112.1	R92 V93 C98 T105 C106	R92-H96 PolarHBondContact O-N 3.06Å; V93-H96 PolarHBondContact O-N 3.3Å; H96-C98 PolarHBondContact NE2-SG 3.09Å; H96-C98 VanDerWaalsContact NE2-SG 3.4Å; H96-T105 HydrophobicContact CB-CG2 3.68Å; H96-T105 WeakPolarHBondContact CD2-CB 3.27Å; H96-C106 PolarHBondContact O-SG 3.44Å
97	L	77	Confident	75.6	Confident	50 Å²	50	50.7 Å²	50.7	26%	0.262	23%	0.232	S	C	.	.			trans	-126.3	104	173.6	-56.9	174.3	0	0	0	109.1	S95 F110 I410 L478	S95-L97 PolarHBondContact O-N 3.43Å; L97-F110 HydrophobicContact CD2-CE1 3.75Å; L97-F110 HydrophobicContact CD2-CZ 4.46Å; L97-I410 HydrophobicContact CD1-CD1 3.62Å; L97-I410 HydrophobicContact CD1-CG1 3.5Å; L97-L478 HydrophobicContact CD2-CD2 3.96Å
98	C	75.8	Confident	75.7	Confident	37 Å²	37	49.4 Å²	49.4	25%	0.25	23%	0.226	C	C	.	.			trans	-118.8	164.9	-179	75.9	0	0	0	0	112.4	H96 R100 C103 C106 K474	H96-C98 PolarHBondContact NE2-SG 3.09Å; H96-C98 VanDerWaalsContact NE2-SG 3.4Å; C98-R100 VanDerWaalsContact C-N 3.32Å; C98-R100 PolarHBondContact O-N 2.73Å; C98-C103 PolarHBondContact SG-SG 2.95Å; C98-C106 PolarHBondContact N-SG 2.71Å; C98-K474 WeakPolarHBondContact O-CE 3.37Å; C98-K474 PolarHBondContact O-NZ 2.84Å
99	K	74	Confident	76.1	Confident	212 Å²	212	48.9 Å²	48.9	92%	0.922	22%	0.223	S	C	*	.	S	Bend	trans	-73	-13.3	-178.2	-61.4	-175.6	179.8	-177.5	0	115.1	V101	K99-V101 PolarHBondContact O-N 3.48Å
100	R	73.6	Confident	76.1	Confident	173 Å²	173	48.7 Å²	48.7	65%	0.653	22%	0.222	S	C	*	.			trans	-67.3	125.9	-178.8	-63.6	178.9	-178.4	168.9	0.6	110.5	C98 C103 K474	C98-R100 VanDerWaalsContact C-N 3.32Å; C98-R100 PolarHBondContact O-N 2.73Å; R100-C103 HydrophobicContact CB-CB 4.24Å; R100-K474 PolarHBondContact O-NZ 2.98Å
101	V	67.3	Low	75.9	Confident	62 Å²	62	47.5 Å²	47.5	38%	0.376	22%	0.217	S	C	.	.	S	Bend	trans	-61.3	-52.8	-177.1	179.4	0	0	0	0	111.5	K99 C103 A472 K474	K99-V101 PolarHBondContact O-N 3.48Å; V101-C103 PolarHBondContact O-N 3.06Å; V101-A472 HydrophobicContact CG1-CB 3.7Å; V101-A472 HydrophobicContact CG2-CB 4.48Å; V101-K474 VanDerWaalsContact O-CD 3.3Å; V101-K474 WeakPolarHBondContact O-CD 3.35Å
102	F	70	Confident	76.1	Confident	169 Å²	169	44.4 Å²	44.4	74%	0.741	21%	0.206	S	C	*	.	S	Bend	trans	-93.5	69.4	-179.7	-52.5	-70.4	0	0	0	111.4
103	C	73.4	Confident	76.2	Confident	12 Å²	12	41.4 Å²	41.4	8%	0.081	20%	0.195	C	C	.	.			trans	-108.8	108.1	-179	-179	0	0	0	0	112.1	C98 R100 V101 T105 C106 E107	C98-C103 PolarHBondContact SG-SG 2.95Å; R100-C103 HydrophobicContact CB-CB 4.24Å; V101-C103 PolarHBondContact O-N 3.06Å; C103-T105 VanDerWaalsContact C-N 3.28Å; C103-T105 PolarHBondContact O-N 2.94Å; C103-C106 HydrophobicContact CB-CB 4.09Å; C103-C106 WeakPolarHBondContact O-CB 3.42Å; C103-C106 PolarHBondContact O-N 3.09Å; C103-E107 PolarHBondContact O-N 3.4Å
104	L	73.2	Confident	75.9	Confident	50 Å²	50	41.5 Å²	41.5	26%	0.262	20%	0.195	S	C	.	.	H	α-helix	trans	-51	-41.8	176.2	-63.9	177.1	0	0	0	113.7	C106 E107 L108 Y150 L152 P160 L163	L104-C106 VanDerWaalsContact C-N 3.34Å; L104-C106 PolarHBondContact O-N 3.43Å; L104-E107 PolarHBondContact O-N 3.09Å; L104-L108 WeakPolarHBondContact O-CB 3.49Å; L104-L108 PolarHBondContact O-N 3.14Å; L104-Y150 VanDerWaalsContact CD2-CB 3.44Å; L104-Y150 HydrophobicContact CD2-CD1 3.29Å; L104-Y150 HydrophobicContact CD2-CD2 3.85Å; L104-Y150 HydrophobicContact CD2-CE1 3.88Å; L104-Y150 HydrophobicContact CD2-CE2 4.39Å; L104-Y150 HydrophobicContact CD2-CG 3.24Å; L104-Y150 HydrophobicContact CG-CD1 4.48Å; L104-L152 HydrophobicContact CD1-CD2 4.2Å; L104-P160 HydrophobicContact CD1-CG 4.43Å; L104-L163 HydrophobicContact CB-CD1 4.25Å; L104-L163 HydrophobicContact CB-CD2 3.87Å
105	T	76.4	Confident	75.5	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-66.5	-37.3	179.8	-11.8	0	0	0	0	111.8	V93 H96 C103 S109 L163	V93-T105 HydrophobicContact CG2-CG2 4.27Å; H96-T105 HydrophobicContact CB-CG2 3.68Å; H96-T105 WeakPolarHBondContact CD2-CB 3.27Å; C103-T105 VanDerWaalsContact C-N 3.28Å; C103-T105 PolarHBondContact O-N 2.94Å; T105-S109 WeakPolarHBondContact O-CB 3.41Å; T105-S109 PolarHBondContact O-N 3.34Å; T105-L163 HydrophobicContact CG2-CB 4.02Å; T105-L163 HydrophobicContact CG2-CD2 4.12Å; T105-L163 WeakPolarHBondContact CG2-O 3.3Å; T105-L163 WeakPolarHBondContact OG1-CD2 3.47Å
106	C	77.6	Confident	75.4	Confident	0 Å²	0	43 Å²	43	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-67.7	-44.4	175.6	-67.7	0	0	0	0	110.7	H96 C98 C103 L104 L108 S109 F110 K474	H96-C106 PolarHBondContact O-SG 3.44Å; C98-C106 PolarHBondContact N-SG 2.71Å; C103-C106 HydrophobicContact CB-CB 4.09Å; C103-C106 WeakPolarHBondContact O-CB 3.42Å; C103-C106 PolarHBondContact O-N 3.09Å; L104-C106 VanDerWaalsContact C-N 3.34Å; L104-C106 PolarHBondContact O-N 3.43Å; C106-L108 VanDerWaalsContact C-N 3.31Å; C106-L108 PolarHBondContact O-N 3.12Å; C106-S109 CarbonylContact O-C 2.85Å; C106-S109 WeakPolarHBondContact O-CA 3.48Å; C106-S109 VanDerWaalsContact O-CB 3.26Å; C106-S109 WeakPolarHBondContact O-CB 3.27Å; C106-S109 PolarHBondContact O-N 3.21Å; C106-S109 VanDerWaalsContact O-N 3.09Å; C106-F110 HydrophobicContact CB-CE1 4.5Å; C106-F110 HydrophobicContact CB-CE2 3.96Å; C106-F110 HydrophobicContact CB-CZ 3.91Å; C106-F110 VanDerWaalsContact O-CD1 3.29Å; C106-F110 WeakPolarHBondContact O-CD1 3.4Å; C106-F110 WeakPolarHBondContact O-CD2 3.36Å; C106-F110 WeakPolarHBondContact O-CG 3.39Å; C106-F110 PolarHBondContact O-N 2.96Å; C106-K474 HydrophobicContact CB-CD 4.18Å; C106-K474 PolarHBondContact SG-NZ 3.39Å
107	E	74.9	Confident	74.9	Confident	10 Å²	10	42.9 Å²	42.9	5%	0.047	20%	0.2	C	C	.	.	H	α-helix	trans	-60.2	-42.9	175.9	-63.1	-51.2	139.6	0	0	111.5	C103 L104 S109 F110 L111 R146 Y150	C103-E107 PolarHBondContact O-N 3.4Å; L104-E107 PolarHBondContact O-N 3.09Å; E107-S109 VanDerWaalsContact C-N 3.35Å; E107-S109 PolarHBondContact O-N 3.33Å; E107-F110 WeakPolarHBondContact O-CB 3.29Å; E107-F110 PolarHBondContact O-N 3.26Å; E107-F110 VanDerWaalsContact O-N 3.16Å; E107-F110 WeakPolarHBondContact OE2-CD2 3.08Å; E107-L111 WeakPolarHBondContact O-CG 3.45Å; E107-L111 PolarHBondContact O-N 3.03Å; E107-L111 VanDerWaalsContact O-N 3.08Å; E107-R146 VanDerWaalsContact OE2-CD 3.32Å; E107-R146 WeakPolarHBondContact OE2-CD 3.28Å; E107-R146 IonicContact OE2-CZ 2.76Å; E107-R146 IonicContact OE2-NE 2.63Å; E107-R146 IonicContact OE2-NH1 2.65Å; E107-R146 PolarHBondContact OE2-NH1 2.65Å; E107-Y150 HydrophobicContact CG-CE2 4.07Å
108	L	76.7	Confident	74.3	Confident	10 Å²	10	40.5 Å²	40.5	5%	0.052	19%	0.187	C	C	.	.	H	α-helix	trans	-64.2	-37.4	173.4	-165.8	65.9	0	0	0	112.4	V80 L83 V93 L104 C106 F110 L111 F112 L159	V80-L108 HydrophobicContact CG1-CD1 4.46Å; V80-L108 HydrophobicContact CG2-CD1 3.79Å; L83-L108 HydrophobicContact CD1-CD2 4.38Å; V93-L108 HydrophobicContact CG1-CB 3.84Å; V93-L108 HydrophobicContact CG1-CD2 3.97Å; V93-L108 HydrophobicContact CG1-CG 3.78Å; V93-L108 HydrophobicContact CG2-CD2 3.99Å; L104-L108 WeakPolarHBondContact O-CB 3.49Å; L104-L108 PolarHBondContact O-N 3.14Å; C106-L108 VanDerWaalsContact C-N 3.31Å; C106-L108 PolarHBondContact O-N 3.12Å; L108-F110 VanDerWaalsContact C-N 3.27Å; L108-F110 PolarHBondContact O-N 3.19Å; L108-L111 PolarHBondContact O-N 2.93Å; L108-F112 HydrophobicContact CD1-CD1 4.2Å; L108-F112 HydrophobicContact CD1-CE1 3.65Å; L108-F112 HydrophobicContact CD1-CZ 4.09Å; L108-F112 HydrophobicContact CD2-CE1 4.32Å; L108-F112 HydrophobicContact CD2-CE2 4.38Å; L108-F112 HydrophobicContact CD2-CZ 3.91Å; L108-F112 HydrophobicContact CG-CD1 4.19Å; L108-F112 HydrophobicContact CG-CE1 3.76Å; L108-F112 HydrophobicContact CG-CE2 4.29Å; L108-F112 HydrophobicContact CG-CZ 3.81Å; L108-F112 WeakPolarHBondContact O-CB 3.24Å; L108-F112 WeakPolarHBondContact O-CD1 3.33Å; L108-F112 WeakPolarHBondContact O-CG 3.22Å; L108-F112 PolarHBondContact O-N 3.31Å; L108-L159 HydrophobicContact CD2-CD1 4.2Å; L108-L159 HydrophobicContact CD2-CD2 4.5Å
109	S	80.4	Confident	73.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-35.9	172.5	-177.6	0	0	0	0	112.7	V93 L94 T105 C106 E107 H113	V93-S109 WeakPolarHBondContact O-CB 3.43Å; V93-S109 PolarHBondContact O-OG 2.85Å; L94-S109 WeakPolarHBondContact CA-OG 3.47Å; L94-S109 PolarHBondContact O-OG 2.75Å; T105-S109 WeakPolarHBondContact O-CB 3.41Å; T105-S109 PolarHBondContact O-N 3.34Å; C106-S109 CarbonylContact O-C 2.85Å; C106-S109 WeakPolarHBondContact O-CA 3.48Å; C106-S109 VanDerWaalsContact O-CB 3.26Å; C106-S109 WeakPolarHBondContact O-CB 3.27Å; C106-S109 PolarHBondContact O-N 3.21Å; C106-S109 VanDerWaalsContact O-N 3.09Å; E107-S109 VanDerWaalsContact C-N 3.35Å; E107-S109 PolarHBondContact O-N 3.33Å; S109-H113 WeakPolarHBondContact O-CB 3.41Å; S109-H113 PolarHBondContact O-N 2.78Å
110	F	78	Confident	72.2	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-71.9	-40.6	178.9	-58.1	-26.6	0	0	0	110.6	L97 C106 E107 L108 H113 M114 K474 Y477 L478	L97-F110 HydrophobicContact CD2-CE1 3.75Å; L97-F110 HydrophobicContact CD2-CZ 4.46Å; C106-F110 HydrophobicContact CB-CE1 4.5Å; C106-F110 HydrophobicContact CB-CE2 3.96Å; C106-F110 HydrophobicContact CB-CZ 3.91Å; C106-F110 VanDerWaalsContact O-CD1 3.29Å; C106-F110 WeakPolarHBondContact O-CD1 3.4Å; C106-F110 WeakPolarHBondContact O-CD2 3.36Å; C106-F110 WeakPolarHBondContact O-CG 3.39Å; C106-F110 PolarHBondContact O-N 2.96Å; E107-F110 WeakPolarHBondContact O-CB 3.29Å; E107-F110 PolarHBondContact O-N 3.26Å; E107-F110 VanDerWaalsContact O-N 3.16Å; E107-F110 WeakPolarHBondContact OE2-CD2 3.08Å; L108-F110 VanDerWaalsContact C-N 3.27Å; L108-F110 PolarHBondContact O-N 3.19Å; F110-H113 PolarHBondContact O-N 3.17Å; F110-M114 PolarHBondContact O-N 3.45Å; F110-K474 HydrophobicContact CE2-CD 4.31Å; F110-K474 HydrophobicContact CE2-CG 3.91Å; F110-K474 HydrophobicContact CZ-CD 4.47Å; F110-K474 HydrophobicContact CZ-CG 4.05Å; F110-Y477 HydrophobicContact CB-CD1 4.23Å; F110-Y477 HydrophobicContact CB-CE1 3.61Å; F110-Y477 HydrophobicContact CB-CE2 4.15Å; F110-Y477 AromaticContact CD1-CD1 3.45Å; F110-Y477 HydrophobicContact CD1-CD1 3.45Å; F110-Y477 VanDerWaalsContact CD1-CD1 3.45Å; F110-Y477 AromaticContact CD1-CE1 3.07Å; F110-Y477 HydrophobicContact CD1-CE1 3.07Å; F110-Y477 AromaticContact CD1-CZ 3.94Å; F110-Y477 AromaticContact CD2-CD1 3.81Å; F110-Y477 HydrophobicContact CD2-CD1 3.81Å; F110-Y477 HydrophobicContact CD2-CE1 4.04Å; F110-Y477 HydrophobicContact CD2-CG 4.3Å; F110-Y477 AromaticContact CE1-CD1 3.56Å; F110-Y477 HydrophobicContact CE1-CD1 3.56Å; F110-Y477 AromaticContact CE1-CE1 3.63Å; F110-Y477 HydrophobicContact CE1-CE1 3.63Å; F110-Y477 AromaticContact CE2-CD1 3.93Å; F110-Y477 HydrophobicContact CE2-CD1 3.93Å; F110-Y477 HydrophobicContact CE2-CE1 4.49Å; F110-Y477 HydrophobicContact CE2-CG 4.48Å; F110-Y477 AromaticContact CG-CD1 3.55Å; F110-Y477 HydrophobicContact CG-CD1 3.55Å; F110-Y477 AromaticContact CG-CE1 3.28Å; F110-Y477 HydrophobicContact CG-CE1 3.28Å; F110-Y477 HydrophobicContact CG-CE2 4.48Å; F110-Y477 HydrophobicContact CG-CG 4.33Å; F110-Y477 AromaticContact CG-CZ 3.78Å; F110-Y477 AromaticContact CZ-CD1 3.79Å; F110-Y477 HydrophobicContact CZ-CD1 3.79Å; F110-Y477 HydrophobicContact CZ-CE1 4.3Å; F110-Y477 PolarHBondContact O-OH 3.21Å; F110-L478 HydrophobicContact CE1-CD2 3.75Å; F110-L478 HydrophobicContact CE1-CG 4.4Å; F110-L478 HydrophobicContact CZ-CD2 3.79Å; F110-L478 HydrophobicContact CZ-CG 3.99Å
111	L	75.6	Confident	70.6	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-63.9	-45.6	171.9	-59.1	178.6	0	0	0	112	V80 E107 L108 H113 M114 L115 I143 R146 V147	V80-L111 HydrophobicContact CG1-CB 4.14Å; V80-L111 HydrophobicContact CG2-CD1 3.92Å; E107-L111 WeakPolarHBondContact O-CG 3.45Å; E107-L111 PolarHBondContact O-N 3.03Å; E107-L111 VanDerWaalsContact O-N 3.08Å; L108-L111 PolarHBondContact O-N 2.93Å; L111-H113 VanDerWaalsContact C-N 3.32Å; L111-H113 PolarHBondContact O-N 2.95Å; L111-M114 HydrophobicContact CD2-CE 3.52Å; L111-M114 PolarHBondContact O-N 3.3Å; L111-L115 PolarHBondContact O-N 3.32Å; L111-L115 VanDerWaalsContact O-N 3.11Å; L111-I143 HydrophobicContact CB-CG1 4.27Å; L111-I143 HydrophobicContact CD1-CB 4.4Å; L111-I143 HydrophobicContact CD1-CG1 4.1Å; L111-I143 HydrophobicContact CD1-CG2 4.29Å; L111-I143 HydrophobicContact CD2-CB 4.37Å; L111-I143 HydrophobicContact CD2-CG1 3.84Å; L111-I143 HydrophobicContact CG-CG1 4.26Å; L111-R146 HydrophobicContact CD2-CB 4.43Å; L111-V147 HydrophobicContact CD1-CG2 3.64Å
112	F	79.7	Confident	69.1	Low	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.5	-36.1	177.8	-75.6	8.5	0	0	0	112.4	V80 L83 Y84 R90 V93 L94 L108 L115 Q116	V80-F112 HydrophobicContact CG1-CD1 4.07Å; V80-F112 HydrophobicContact CG1-CE1 3.93Å; V80-F112 WeakPolarHBondContact O-CE1 3.21Å; L83-F112 VanDerWaalsContact C-CZ 3.48Å; L83-F112 HydrophobicContact CB-CE1 4.32Å; L83-F112 HydrophobicContact CB-CZ 3.73Å; Y84-F112 HydrophobicContact CD2-CB 3.85Å; Y84-F112 AromaticContact CD2-CD1 3.84Å; Y84-F112 HydrophobicContact CD2-CD1 3.84Å; Y84-F112 HydrophobicContact CD2-CD2 4.25Å; Y84-F112 HydrophobicContact CD2-CE1 4.44Å; Y84-F112 AromaticContact CD2-CG 3.73Å; Y84-F112 HydrophobicContact CD2-CG 3.73Å; Y84-F112 HydrophobicContact CE2-CB 4.22Å; Y84-F112 VanDerWaalsContact CE2-O 3.27Å; Y84-F112 WeakPolarHBondContact CE2-O 3.4Å; Y84-F112 HydrophobicContact CG-CD1 4.43Å; R90-F112 HydrophobicContact CB-CD2 4.46Å; R90-F112 HydrophobicContact CB-CE2 4.45Å; R90-F112 HydrophobicContact CG-CD2 4.09Å; R90-F112 HydrophobicContact CG-CE2 4.5Å; V93-F112 HydrophobicContact CB-CD2 3.67Å; V93-F112 HydrophobicContact CB-CE2 3.58Å; V93-F112 HydrophobicContact CG1-CD2 3.43Å; V93-F112 VanDerWaalsContact CG1-CD2 3.43Å; V93-F112 HydrophobicContact CG1-CE2 3.59Å; V93-F112 HydrophobicContact CG1-CG 4.14Å; V93-F112 HydrophobicContact CG1-CZ 4.4Å; V93-F112 HydrophobicContact CG2-CE2 3.94Å; L94-F112 HydrophobicContact CD2-CB 3.68Å; L94-F112 HydrophobicContact CG-CB 3.98Å; L94-F112 HydrophobicContact CG-CD2 4.49Å; L108-F112 HydrophobicContact CD1-CD1 4.2Å; L108-F112 HydrophobicContact CD1-CE1 3.65Å; L108-F112 HydrophobicContact CD1-CZ 4.09Å; L108-F112 HydrophobicContact CD2-CE1 4.32Å; L108-F112 HydrophobicContact CD2-CE2 4.38Å; L108-F112 HydrophobicContact CD2-CZ 3.91Å; L108-F112 HydrophobicContact CG-CD1 4.19Å; L108-F112 HydrophobicContact CG-CE1 3.76Å; L108-F112 HydrophobicContact CG-CE2 4.29Å; L108-F112 HydrophobicContact CG-CZ 3.81Å; L108-F112 WeakPolarHBondContact O-CB 3.24Å; L108-F112 WeakPolarHBondContact O-CD1 3.33Å; L108-F112 WeakPolarHBondContact O-CG 3.22Å; L108-F112 PolarHBondContact O-N 3.31Å; F112-L115 PolarHBondContact O-N 3.39Å; F112-Q116 PolarHBondContact O-N 3.23Å
113	H	79	Confident	67	Low	4 Å²	4	26.5 Å²	26.5	2%	0.019	15%	0.149	C	C	.	.	H	α-helix	trans	-67.5	-41.8	175.7	174.7	-106.5	0	0	0	112.5	L94 S109 F110 L111 L115 Q116 Q117 Y477 R481 I484 D485	L94-H113 HydrophobicContact CD2-CB 4.09Å; S109-H113 WeakPolarHBondContact O-CB 3.41Å; S109-H113 PolarHBondContact O-N 2.78Å; F110-H113 PolarHBondContact O-N 3.17Å; L111-H113 VanDerWaalsContact C-N 3.32Å; L111-H113 PolarHBondContact O-N 2.95Å; H113-L115 VanDerWaalsContact C-N 3.31Å; H113-L115 PolarHBondContact O-N 3.41Å; H113-Q116 PolarHBondContact O-N 2.82Å; H113-Q116 VanDerWaalsContact O-N 3.14Å; H113-Q117 VanDerWaalsContact NE2-CG 3.34Å; H113-Q117 WeakPolarHBondContact NE2-CG 3.44Å; H113-Q117 PolarHBondContact NE2-NE2 3.08Å; H113-Q117 WeakPolarHBondContact O-CG 3.38Å; H113-Q117 PolarHBondContact O-N 3.39Å; H113-Y477 PolarHBondContact CE1-OH 3.07Å; H113-R481 VanDerWaalsContact CB-NH1 3.29Å; H113-R481 PolarHBondContact CD2-NE 3.38Å; H113-R481 PolarHBondContact CD2-NH1 2.81Å; H113-R481 PolarHBondContact CD2-NH2 3.46Å; H113-R481 VanDerWaalsContact CD2-NH2 3.33Å; H113-R481 WeakPolarHBondContact ND1-CD 3.45Å; H113-R481 PolarHBondContact ND1-NE 2.92Å; H113-R481 WeakPolarHBondContact NE2-CD 3.42Å; H113-R481 PolarHBondContact NE2-NE 3.23Å; H113-I484 WeakPolarHBondContact NE2-CG2 3.21Å; H113-D485 IonicContact NE2-OD1 3.32Å
114	M	74.1	Confident	64.8	Low	2 Å²	2	31.6 Å²	31.6	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-59.4	-43.9	175.5	-72.2	-171.5	-74.3	0	0	111.5	F110 L111 Q117 S118 V139 A142 N503 I504	F110-M114 PolarHBondContact O-N 3.45Å; L111-M114 HydrophobicContact CD2-CE 3.52Å; L111-M114 PolarHBondContact O-N 3.3Å; M114-Q117 PolarHBondContact O-N 3.24Å; M114-S118 WeakPolarHBondContact O-CB 3.49Å; M114-S118 PolarHBondContact O-N 3.07Å; M114-S118 VanDerWaalsContact O-N 3.12Å; M114-S118 PolarHBondContact O-OG 3.18Å; M114-V139 HydrophobicContact CB-CG1 4.19Å; M114-V139 HydrophobicContact CB-CG2 4.39Å; M114-A142 HydrophobicContact CE-CB 3.89Å; M114-A142 HydrophobicContact SD-CB 4.2Å; M114-N503 WeakPolarHBondContact CE-O 3.37Å; M114-I504 VanDerWaalsContact SD-CA 3.55Å
115	L	72	Confident	62.8	Low	8 Å²	8	34.8 Å²	34.8	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-56.6	-50.3	171.8	-72.2	168.7	0	0	0	111	V80 Y84 L111 F112 H113 Q117 S118 T119 L136 V139	V80-L115 HydrophobicContact CG1-CD1 3.88Å; Y84-L115 HydrophobicContact CD1-CD1 4.42Å; Y84-L115 HydrophobicContact CD2-CB 4.03Å; Y84-L115 HydrophobicContact CD2-CD1 3.88Å; Y84-L115 HydrophobicContact CE1-CB 4.38Å; Y84-L115 HydrophobicContact CE2-CB 3.73Å; Y84-L115 HydrophobicContact CE2-CD1 4.45Å; Y84-L115 HydrophobicContact CG-CB 4.48Å; Y84-L115 HydrophobicContact CG-CD1 3.87Å; L111-L115 PolarHBondContact O-N 3.32Å; L111-L115 VanDerWaalsContact O-N 3.11Å; F112-L115 PolarHBondContact O-N 3.39Å; H113-L115 VanDerWaalsContact C-N 3.31Å; H113-L115 PolarHBondContact O-N 3.41Å; L115-Q117 PolarHBondContact O-N 3.13Å; L115-S118 PolarHBondContact O-N 2.85Å; L115-S118 PolarHBondContact O-OG 2.87Å; L115-T119 WeakPolarHBondContact O-CG2 3.5Å; L115-T119 PolarHBondContact O-N 3.34Å; L115-L136 HydrophobicContact CD2-CD1 4.3Å; L115-V139 HydrophobicContact CD2-CG1 3.79Å; L115-V139 HydrophobicContact CG-CG1 4.01Å
116	Q	75.6	Confident	60.5	Low	63 Å²	63	42.8 Å²	42.8	29%	0.294	25%	0.245	S	C	.	.	H	α-helix	trans	-59.3	-48.1	180	-174.9	175.3	-36.3	0	0	113	Y84 R90 L94 F112 H113 S118 T119 S120	Y84-Q116 HydrophobicContact CE2-CB 4.47Å; Y84-Q116 VanDerWaalsContact OH-CA 3.31Å; Y84-Q116 WeakPolarHBondContact OH-CA 3.26Å; Y84-Q116 PolarHBondContact OH-N 3.26Å; R90-Q116 VanDerWaalsContact NH1-OE1 3.11Å; L94-Q116 VanDerWaalsContact CD1-OE1 3.23Å; F112-Q116 PolarHBondContact O-N 3.23Å; H113-Q116 PolarHBondContact O-N 2.82Å; H113-Q116 VanDerWaalsContact O-N 3.14Å; Q116-S118 VanDerWaalsContact C-N 3.34Å; Q116-S118 PolarHBondContact O-N 2.81Å; Q116-T119 PolarHBondContact O-N 3.28Å; Q116-T119 VanDerWaalsContact O-N 3.13Å; Q116-T119 PolarHBondContact O-OG1 3.26Å; Q116-S120 PolarHBondContact O-N 3.3Å
117	Q	69.4	Low	58.4	Low	36 Å²	36	47.5 Å²	47.5	17%	0.168	27%	0.273	C	S	.	.	H	α-helix	trans	-56.4	-48.5	178	-75.2	-67.7	-14.3	0	0	111.3	H113 M114 L115 T119 S120 Y505	H113-Q117 VanDerWaalsContact NE2-CG 3.34Å; H113-Q117 WeakPolarHBondContact NE2-CG 3.44Å; H113-Q117 PolarHBondContact NE2-NE2 3.08Å; H113-Q117 WeakPolarHBondContact O-CG 3.38Å; H113-Q117 PolarHBondContact O-N 3.39Å; M114-Q117 PolarHBondContact O-N 3.24Å; L115-Q117 PolarHBondContact O-N 3.13Å; Q117-T119 PolarHBondContact O-N 3.26Å; Q117-T119 VanDerWaalsContact O-N 3.12Å; Q117-S120 PolarHBondContact O-N 3.09Å; Q117-S120 VanDerWaalsContact O-N 3.08Å; Q117-S120 PolarHBondContact O-OG 3.39Å; Q117-Y505 HydrophobicContact CB-CD1 3.78Å; Q117-Y505 HydrophobicContact CB-CE1 4.22Å
118	S	63	Low	56.5	Low	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-68.2	-7	179.8	64.9	0	0	0	0	115.7	M114 L115 Q116 L131	M114-S118 WeakPolarHBondContact O-CB 3.49Å; M114-S118 PolarHBondContact O-N 3.07Å; M114-S118 VanDerWaalsContact O-N 3.12Å; M114-S118 PolarHBondContact O-OG 3.18Å; L115-S118 PolarHBondContact O-N 2.85Å; L115-S118 PolarHBondContact O-OG 2.87Å; Q116-S118 VanDerWaalsContact C-N 3.34Å; Q116-S118 PolarHBondContact O-N 2.81Å; S118-L131 WeakPolarHBondContact OG-CD2 3.39Å
119	T	55.8	Low	54.6	Low	53 Å²	53	53.3 Å²	53.3	33%	0.325	31%	0.308	S	S	.	.	H	α-helix	trans	-97.4	-12.5	172.5	57.3	0	0	0	0	113.7	L115 Q116 Q117 D121 L131	L115-T119 WeakPolarHBondContact O-CG2 3.5Å; L115-T119 PolarHBondContact O-N 3.34Å; Q116-T119 PolarHBondContact O-N 3.28Å; Q116-T119 VanDerWaalsContact O-N 3.13Å; Q116-T119 PolarHBondContact O-OG1 3.26Å; Q117-T119 PolarHBondContact O-N 3.26Å; Q117-T119 VanDerWaalsContact O-N 3.12Å; T119-D121 VanDerWaalsContact C-N 3.25Å; T119-D121 PolarHBondContact O-N 2.99Å; T119-L131 HydrophobicContact CG2-CD1 3.89Å; T119-L131 HydrophobicContact CG2-CD2 4.48Å; T119-L131 HydrophobicContact CG2-CG 3.85Å
120	S	49.7	Very low	52.7	Low	53 Å²	53	55.9 Å²	55.9	37%	0.371	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-3.9	-172.9	67.1	0	0	0	0	114.7	Q116 Q117 F122 R507	Q116-S120 PolarHBondContact O-N 3.3Å; Q117-S120 PolarHBondContact O-N 3.09Å; Q117-S120 VanDerWaalsContact O-N 3.08Å; Q117-S120 PolarHBondContact O-OG 3.39Å; S120-F122 PolarHBondContact O-N 3.25Å; S120-R507 PolarHBondContact O-NH1 3.29Å; S120-R507 PolarHBondContact OG-NH1 3.33Å
121	D	41.4	Very low	51	Low	49 Å²	49	56.9 Å²	56.9	26%	0.262	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-14.4	-177.2	-63.9	-9.7	0	0	0	113.5	T119 R507	T119-D121 VanDerWaalsContact C-N 3.25Å; T119-D121 PolarHBondContact O-N 2.99Å; D121-R507 VanDerWaalsContact OD1-CD 3.27Å; D121-R507 WeakPolarHBondContact OD1-CD 3.34Å; D121-R507 IonicContact OD1-CZ 2.71Å; D121-R507 IonicContact OD1-NE 3.48Å; D121-R507 PolarHBondContact OD1-NE 2.93Å; D121-R507 IonicContact OD1-NH1 3.26Å; D121-R507 PolarHBondContact OD1-NH1 2.87Å; D121-R507 IonicContact OD1-NH2 3.07Å
122	F	34.6	Very low	49.4	Very low	94 Å²	94	59.1 Å²	59.1	41%	0.412	34%	0.341	S	S	.	.			trans	-105.4	80.4	179.2	-65	-70.7	0	0	0	111.7	S120 C124 P132	S120-F122 PolarHBondContact O-N 3.25Å; F122-C124 PolarHBondContact O-N 2.89Å; F122-P132 HydrophobicContact CE2-CG 4.04Å; F122-P132 HydrophobicContact CZ-CG 4.27Å
123	S	27.5	Very low	47.8	Very low	110 Å²	110	61.8 Å²	61.8	77%	0.769	35%	0.351	S	S	*	.			trans	-63	131.5	161.6	51.9	0	0	0	0	110
124	C	25.3	Very low	45.9	Very low	119 Å²	119	66.9 Å²	66.9	80%	0.804	37%	0.373	S	S	*	.	S	Bend	trans	23.1	116.3	158.8	-157.1	0	0	0	0	118.1	F122	F122-C124 PolarHBondContact O-N 2.89Å
125	S	31.2	Very low	44.6	Very low	116 Å²	116	68.1 Å²	68.1	81%	0.811	38%	0.381	S	S	*	.	S	Bend	trans	106.6	3.2	166.3	-42.4	0	0	0	0	118.6
126	K	29.8	Very low	43.5	Very low	170 Å²	170	67.8 Å²	67.8	74%	0.739	38%	0.379	S	S	*	.			trans	-129.2	120.3	165.1	-71.2	-173.5	179.8	177.1	0	111.7	S128	K126-S128 PolarHBondContact O-N 3.17Å
127	T	32.8	Very low	42.4	Very low	98 Å²	98	69.1 Å²	69.1	60%	0.601	38%	0.382	S	S	*	.			trans	-75.8	27.5	-171.4	45.3	0	0	0	0	114.6	L129 R362	T127-L129 PolarHBondContact O-N 2.91Å; T127-R362 PolarHBondContact O-NH1 3.4Å; T127-R362 VanDerWaalsContact O-NH1 3.09Å
128	S	34.4	Very low	41.5	Very low	45 Å²	45	70.2 Å²	70.2	32%	0.315	39%	0.393	S	S	.	.			trans	-90.3	84.5	172.9	53.8	0	0	0	0	110.2	K126 L130	K126-S128 PolarHBondContact O-N 3.17Å; S128-L130 PolarHBondContact O-N 2.99Å
129	L	38.3	Very low	40.9	Very low	97 Å²	97	70.3 Å²	70.3	51%	0.508	39%	0.394	S	S	.	.			trans	-68.3	6.4	165.5	-155.5	100.8	0	0	0	112.7	T127 A352	T127-L129 PolarHBondContact O-N 2.91Å; L129-A352 HydrophobicContact CD2-CB 4.21Å
130	L	39.7	Very low	40.8	Very low	55 Å²	55	68.2 Å²	68.2	29%	0.288	38%	0.381	S	S	.	.	S	Bend	trans	-86.8	120.9	174.6	-66	171.5	0	0	0	108	S128 Y364 V371	S128-L130 PolarHBondContact O-N 2.99Å; L130-Y364 HydrophobicContact CD1-CE1 4.25Å; L130-Y364 HydrophobicContact CD2-CD1 3.9Å; L130-Y364 HydrophobicContact CD2-CE1 3.92Å; L130-Y364 HydrophobicContact CG-CE1 4.17Å; L130-V371 HydrophobicContact CD2-CB 4.21Å; L130-V371 HydrophobicContact CD2-CG1 3.5Å
131	L	42.7	Very low	41	Very low	21 Å²	21	67.1 Å²	67.1	11%	0.11	38%	0.375	C	S	.	.			trans	-47.3	156.5	169.7	-68.8	85.7	0	0	0	110.7	S118 T119 W133 L136	S118-L131 WeakPolarHBondContact OG-CD2 3.39Å; T119-L131 HydrophobicContact CG2-CD1 3.89Å; T119-L131 HydrophobicContact CG2-CD2 4.48Å; T119-L131 HydrophobicContact CG2-CG 3.85Å; L131-W133 HydrophobicContact CB-CG 4.37Å; L131-W133 HydrophobicContact CD1-CZ2 3.81Å; L131-W133 PolarHBondContact O-N 3.2Å; L131-L136 HydrophobicContact CD1-CD1 4.2Å; L131-L136 HydrophobicContact CD2-CB 4.16Å; L131-L136 HydrophobicContact CD2-CD1 3.7Å; L131-L136 HydrophobicContact CD2-CG 4.45Å; L131-L136 HydrophobicContact CG-CD1 4.49Å
132	P	40.6	Very low	41.5	Very low	48 Å²	48	65.1 Å²	65.1	31%	0.312	37%	0.365	S	S	.	.			trans	-65.2	89.1	154	-11.9	29	0	0	0	107	F122 K134 T135	F122-P132 HydrophobicContact CE2-CG 4.04Å; F122-P132 HydrophobicContact CZ-CG 4.27Å; P132-K134 PolarHBondContact O-N 3.44Å; P132-T135 VanDerWaalsContact O-CB 3.27Å; P132-T135 WeakPolarHBondContact O-CB 3.27Å; P132-T135 PolarHBondContact O-N 3.48Å; P132-T135 PolarHBondContact O-OG1 3.21Å
133	W	46.7	Very low	42.4	Very low	56 Å²	56	60.7 Å²	60.7	21%	0.212	35%	0.346	C	S	.	.	H	α-helix	trans	-61.3	-6.1	-169.1	-73.4	79.6	0	0	0	114.4	L131 T135 L136 R137 V371	L131-W133 HydrophobicContact CB-CG 4.37Å; L131-W133 HydrophobicContact CD1-CZ2 3.81Å; L131-W133 PolarHBondContact O-N 3.2Å; W133-T135 VanDerWaalsContact C-N 3.3Å; W133-L136 HydrophobicContact CB-CB 4.38Å; W133-L136 HydrophobicContact CD2-CB 4.19Å; W133-L136 HydrophobicContact CD2-CD1 4Å; W133-L136 HydrophobicContact CD2-CD2 4.37Å; W133-L136 HydrophobicContact CD2-CG 4.39Å; W133-L136 HydrophobicContact CE3-CB 3.96Å; W133-L136 HydrophobicContact CE3-CD1 3.59Å; W133-L136 HydrophobicContact CE3-CD2 3.36Å; W133-L136 HydrophobicContact CE3-CG 3.79Å; W133-L136 HydrophobicContact CG-CB 4.49Å; W133-L136 HydrophobicContact CH2-CD1 3.31Å; W133-L136 HydrophobicContact CH2-CD2 4.25Å; W133-L136 HydrophobicContact CH2-CG 4.34Å; W133-L136 HydrophobicContact CZ2-CD1 3.85Å; W133-L136 HydrophobicContact CZ3-CB 4.44Å; W133-L136 HydrophobicContact CZ3-CD1 3.22Å; W133-L136 HydrophobicContact CZ3-CD2 3.28Å; W133-L136 HydrophobicContact CZ3-CG 3.76Å; W133-L136 PolarHBondContact O-N 3.32Å; W133-R137 PolarHBondContact O-N 3.12Å; W133-V371 HydrophobicContact CD2-CB 4.4Å; W133-V371 HydrophobicContact CD2-CG2 3.98Å; W133-V371 HydrophobicContact CE3-CG2 3.72Å; W133-V371 HydrophobicContact CH2-CB 4.33Å; W133-V371 HydrophobicContact CH2-CG2 3.2Å; W133-V371 HydrophobicContact CZ2-CB 4.03Å; W133-V371 HydrophobicContact CZ2-CG1 4.43Å; W133-V371 HydrophobicContact CZ2-CG2 3.35Å; W133-V371 HydrophobicContact CZ3-CG2 3.33Å
134	K	39.3	Very low	43.5	Very low	112 Å²	112	58.3 Å²	58.3	49%	0.487	32%	0.321	S	S	.	.	H	α-helix	trans	-56.2	-43	161	-70.8	-173.5	178.2	-169.9	0	111.2	Q55 T56 V57 P132 L136 R137	Q55-K134 PolarHBondContact O-NZ 3.33Å; T56-K134 PolarHBondContact O-NZ 3Å; V57-K134 HydrophobicContact CG2-CD 3.69Å; V57-K134 HydrophobicContact CG2-CG 4.28Å; P132-K134 PolarHBondContact O-N 3.44Å; K134-L136 VanDerWaalsContact C-N 3.35Å; K134-R137 PolarHBondContact O-N 2.92Å
135	T	47.8	Very low	44.9	Very low	27 Å²	27	55.5 Å²	55.5	17%	0.166	31%	0.307	C	S	.	.	H	α-helix	trans	-64.4	-37.7	173.2	-51.2	0	0	0	0	112	P132 W133 R137 S138 V139 Y505	P132-T135 VanDerWaalsContact O-CB 3.27Å; P132-T135 WeakPolarHBondContact O-CB 3.27Å; P132-T135 PolarHBondContact O-N 3.48Å; P132-T135 PolarHBondContact O-OG1 3.21Å; W133-T135 VanDerWaalsContact C-N 3.3Å; T135-R137 VanDerWaalsContact C-N 3.25Å; T135-R137 PolarHBondContact O-N 2.77Å; T135-S138 PolarHBondContact O-N 2.85Å; T135-S138 VanDerWaalsContact O-N 3.13Å; T135-V139 PolarHBondContact O-N 2.76Å; T135-Y505 HydrophobicContact CG2-CD2 3.97Å; T135-Y505 HydrophobicContact CG2-CE1 4.11Å; T135-Y505 HydrophobicContact CG2-CE2 3.37Å; T135-Y505 VanDerWaalsContact CG2-CZ 3.45Å
136	L	48.8	Very low	46.1	Very low	2 Å²	2	50.5 Å²	50.5	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-67.4	-22.4	-178	-168.3	136.3	0	0	0	113.1	L115 L131 W133 K134 S138 V139 V140	L115-L136 HydrophobicContact CD2-CD1 4.3Å; L131-L136 HydrophobicContact CD1-CD1 4.2Å; L131-L136 HydrophobicContact CD2-CB 4.16Å; L131-L136 HydrophobicContact CD2-CD1 3.7Å; L131-L136 HydrophobicContact CD2-CG 4.45Å; L131-L136 HydrophobicContact CG-CD1 4.49Å; W133-L136 HydrophobicContact CB-CB 4.38Å; W133-L136 HydrophobicContact CD2-CB 4.19Å; W133-L136 HydrophobicContact CD2-CD1 4Å; W133-L136 HydrophobicContact CD2-CD2 4.37Å; W133-L136 HydrophobicContact CD2-CG 4.39Å; W133-L136 HydrophobicContact CE3-CB 3.96Å; W133-L136 HydrophobicContact CE3-CD1 3.59Å; W133-L136 HydrophobicContact CE3-CD2 3.36Å; W133-L136 HydrophobicContact CE3-CG 3.79Å; W133-L136 HydrophobicContact CG-CB 4.49Å; W133-L136 HydrophobicContact CH2-CD1 3.31Å; W133-L136 HydrophobicContact CH2-CD2 4.25Å; W133-L136 HydrophobicContact CH2-CG 4.34Å; W133-L136 HydrophobicContact CZ2-CD1 3.85Å; W133-L136 HydrophobicContact CZ3-CB 4.44Å; W133-L136 HydrophobicContact CZ3-CD1 3.22Å; W133-L136 HydrophobicContact CZ3-CD2 3.28Å; W133-L136 HydrophobicContact CZ3-CG 3.76Å; W133-L136 PolarHBondContact O-N 3.32Å; K134-L136 VanDerWaalsContact C-N 3.35Å; L136-S138 VanDerWaalsContact C-N 3.25Å; L136-S138 PolarHBondContact O-N 2.89Å; L136-V139 CarbonylContact O-C 3.59Å; L136-V139 PolarHBondContact O-N 3.24Å; L136-V139 VanDerWaalsContact O-N 3.14Å; L136-V140 HydrophobicContact CD2-CB 4.19Å; L136-V140 HydrophobicContact CD2-CG2 3.25Å; L136-V140 HydrophobicContact CG-CG2 4.16Å; L136-V140 WeakPolarHBondContact O-CB 3.5Å; L136-V140 PolarHBondContact O-N 2.97Å
137	R	50.9	Low	47.1	Very low	91 Å²	91	43.4 Å²	43.4	34%	0.343	24%	0.241	S	C	.	.	H	α-helix	trans	-54.8	-42.7	170.4	-68.9	-170.5	-175.9	170.8	9	112	V57 T59 W133 K134 T135 V140 A141	V57-R137 PolarHBondContact O-NH1 3.32Å; V57-R137 VanDerWaalsContact O-NH1 3.07Å; T59-R137 PolarHBondContact OG1-NH1 2.89Å; W133-R137 PolarHBondContact O-N 3.12Å; K134-R137 PolarHBondContact O-N 2.92Å; T135-R137 VanDerWaalsContact C-N 3.25Å; T135-R137 PolarHBondContact O-N 2.77Å; R137-V140 PolarHBondContact O-N 3.4Å; R137-A141 WeakPolarHBondContact O-CB 3.44Å; R137-A141 PolarHBondContact O-N 3.22Å
138	S	51	Low	47.8	Very low	59 Å²	59	45 Å²	45	41%	0.413	25%	0.246	S	C	.	.	H	α-helix	trans	-67.9	-43.8	176.3	-57.8	0	0	0	0	111.1	T135 L136 V140 A141 A142	T135-S138 PolarHBondContact O-N 2.85Å; T135-S138 VanDerWaalsContact O-N 3.13Å; L136-S138 VanDerWaalsContact C-N 3.25Å; L136-S138 PolarHBondContact O-N 2.89Å; S138-V140 VanDerWaalsContact C-N 3.31Å; S138-V140 PolarHBondContact O-N 3.43Å; S138-A141 PolarHBondContact O-N 3.35Å; S138-A142 WeakPolarHBondContact O-CB 3.3Å; S138-A142 PolarHBondContact O-N 3.38Å
139	V	50.6	Low	48.3	Very low	1 Å²	1	47.5 Å²	47.5	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-32.9	177.2	-174.4	0	0	0	0	112.1	M114 L115 T135 L136 A142 I143	M114-V139 HydrophobicContact CB-CG1 4.19Å; M114-V139 HydrophobicContact CB-CG2 4.39Å; L115-V139 HydrophobicContact CD2-CG1 3.79Å; L115-V139 HydrophobicContact CG-CG1 4.01Å; T135-V139 PolarHBondContact O-N 2.76Å; L136-V139 CarbonylContact O-C 3.59Å; L136-V139 PolarHBondContact O-N 3.24Å; L136-V139 VanDerWaalsContact O-N 3.14Å; V139-A142 CarbonylContact O-C 3.5Å; V139-A142 WeakPolarHBondContact O-CB 3.5Å; V139-A142 PolarHBondContact O-N 2.88Å; V139-I143 HydrophobicContact CG1-CD1 4.04Å; V139-I143 HydrophobicContact CG1-CG1 4.46Å; V139-I143 VanDerWaalsContact O-CG1 3.22Å; V139-I143 WeakPolarHBondContact O-CG1 3.46Å; V139-I143 PolarHBondContact O-N 2.75Å
140	V	53	Low	48.5	Very low	9 Å²	9	45.8 Å²	45.8	6%	0.055	25%	0.246	C	C	.	.	H	α-helix	trans	-75.9	-43.2	176.7	153.8	0	0	0	0	112.6	V77 L136 R137 S138 A142 I143 K144	V77-V140 HydrophobicContact CB-CG2 4.31Å; V77-V140 HydrophobicContact CG1-CG2 3.53Å; V77-V140 HydrophobicContact CG2-CB 4.2Å; V77-V140 HydrophobicContact CG2-CG1 3.79Å; V77-V140 HydrophobicContact CG2-CG2 3.77Å; L136-V140 HydrophobicContact CD2-CB 4.19Å; L136-V140 HydrophobicContact CD2-CG2 3.25Å; L136-V140 HydrophobicContact CG-CG2 4.16Å; L136-V140 WeakPolarHBondContact O-CB 3.5Å; L136-V140 PolarHBondContact O-N 2.97Å; R137-V140 PolarHBondContact O-N 3.4Å; S138-V140 VanDerWaalsContact C-N 3.31Å; S138-V140 PolarHBondContact O-N 3.43Å; V140-A142 PolarHBondContact O-N 2.8Å; V140-I143 PolarHBondContact O-N 2.99Å; V140-K144 HydrophobicContact CG1-CD 4.43Å; V140-K144 WeakPolarHBondContact O-CB 3.35Å; V140-K144 WeakPolarHBondContact O-CG 3.43Å; V140-K144 PolarHBondContact O-N 3Å
141	A	54.1	Low	48.8	Very low	31 Å²	31	48.3 Å²	48.3	26%	0.256	26%	0.264	S	S	.	.	H	α-helix	trans	-54.2	-39.2	167.4	0	0	0	0	0	109.7	R137 S138 K144 A145	R137-A141 WeakPolarHBondContact O-CB 3.44Å; R137-A141 PolarHBondContact O-N 3.22Å; S138-A141 PolarHBondContact O-N 3.35Å; A141-K144 PolarHBondContact O-N 3Å; A141-A145 WeakPolarHBondContact O-CB 3.35Å; A141-A145 PolarHBondContact O-N 3.27Å
142	A	51.7	Low	49	Very low	6 Å²	6	48.8 Å²	48.8	5%	0.05	27%	0.267	C	S	.	.	H	α-helix	trans	-71.5	-41.7	-178.6	0	0	0	0	0	115	M114 S138 V139 V140 K144 R146 N503	M114-A142 HydrophobicContact CE-CB 3.89Å; M114-A142 HydrophobicContact SD-CB 4.2Å; S138-A142 WeakPolarHBondContact O-CB 3.3Å; S138-A142 PolarHBondContact O-N 3.38Å; V139-A142 CarbonylContact O-C 3.5Å; V139-A142 WeakPolarHBondContact O-CB 3.5Å; V139-A142 PolarHBondContact O-N 2.88Å; V140-A142 PolarHBondContact O-N 2.8Å; A142-K144 VanDerWaalsContact C-N 3.35Å; A142-R146 PolarHBondContact O-N 2.81Å; A142-N503 WeakPolarHBondContact CA-ND2 3.43Å; A142-N503 WeakPolarHBondContact CA-OD1 3.07Å; A142-N503 VanDerWaalsContact CB-CG 3.44Å; A142-N503 VanDerWaalsContact CB-ND2 3.32Å; A142-N503 WeakPolarHBondContact CB-ND2 3.48Å; A142-N503 VanDerWaalsContact CB-OD1 3.24Å; A142-N503 WeakPolarHBondContact CB-OD1 3.42Å; A142-N503 PolarHBondContact O-ND2 2.92Å
143	I	53.6	Low	49.2	Very low	1 Å²	1	50.3 Å²	50.3	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-45.1	171.2	-69	161	0	0	0	110	V77 V80 L111 V139 V140 R146 V147	V77-I143 HydrophobicContact CG2-CB 4.41Å; V77-I143 HydrophobicContact CG2-CG2 4.17Å; V80-I143 HydrophobicContact CB-CD1 4.22Å; V80-I143 HydrophobicContact CB-CG1 4.48Å; V80-I143 HydrophobicContact CB-CG2 4.1Å; V80-I143 HydrophobicContact CG1-CD1 3.81Å; V80-I143 HydrophobicContact CG1-CG1 4.09Å; V80-I143 HydrophobicContact CG2-CG2 3.75Å; L111-I143 HydrophobicContact CB-CG1 4.27Å; L111-I143 HydrophobicContact CD1-CB 4.4Å; L111-I143 HydrophobicContact CD1-CG1 4.1Å; L111-I143 HydrophobicContact CD1-CG2 4.29Å; L111-I143 HydrophobicContact CD2-CB 4.37Å; L111-I143 HydrophobicContact CD2-CG1 3.84Å; L111-I143 HydrophobicContact CG-CG1 4.26Å; V139-I143 HydrophobicContact CG1-CD1 4.04Å; V139-I143 HydrophobicContact CG1-CG1 4.46Å; V139-I143 VanDerWaalsContact O-CG1 3.22Å; V139-I143 WeakPolarHBondContact O-CG1 3.46Å; V139-I143 PolarHBondContact O-N 2.75Å; V140-I143 PolarHBondContact O-N 2.99Å; I143-R146 PolarHBondContact O-N 2.9Å; I143-V147 HydrophobicContact CG2-CG2 4.04Å; I143-V147 WeakPolarHBondContact O-CB 3.32Å; I143-V147 VanDerWaalsContact O-CG2 3.29Å; I143-V147 WeakPolarHBondContact O-CG2 3.35Å; I143-V147 PolarHBondContact O-N 3.41Å
144	K	52.3	Low	49.4	Very low	60 Å²	60	48 Å²	48	26%	0.261	27%	0.272	S	S	.	.	H	α-helix	trans	-59.1	-50.3	177.9	-75.1	-177.3	177.2	-171.9	0	111.4	V77 V140 A141 A142 R146 L148	V77-K144 HydrophobicContact CG2-CG 4.2Å; V140-K144 HydrophobicContact CG1-CD 4.43Å; V140-K144 WeakPolarHBondContact O-CB 3.35Å; V140-K144 WeakPolarHBondContact O-CG 3.43Å; V140-K144 PolarHBondContact O-N 3Å; A141-K144 PolarHBondContact O-N 3Å; A142-K144 VanDerWaalsContact C-N 3.35Å; K144-R146 PolarHBondContact O-N 2.95Å; K144-L148 WeakPolarHBondContact O-CB 3.44Å; K144-L148 PolarHBondContact O-N 3.16Å; K144-L148 VanDerWaalsContact O-N 3.08Å
145	A	54.6	Low	50	Low	61 Å²	61	48.3 Å²	48.3	50%	0.504	27%	0.27	S	S	.	.	H	α-helix	trans	-58.5	-41.5	-177.9	0	0	0	0	0	113.6	A141	A141-A145 WeakPolarHBondContact O-CB 3.35Å; A141-A145 PolarHBondContact O-N 3.27Å
146	R	56.3	Low	50.2	Low	10 Å²	10	49.1 Å²	49.1	4%	0.038	27%	0.271	C	S	.	.	H	α-helix	trans	-87.3	-28.1	-178.1	-74.9	-177.4	-177.8	-158.9	12.7	115.3	E107 L111 A142 I143 K144 T149 Y150 I502 N503	E107-R146 VanDerWaalsContact OE2-CD 3.32Å; E107-R146 WeakPolarHBondContact OE2-CD 3.28Å; E107-R146 IonicContact OE2-CZ 2.76Å; E107-R146 IonicContact OE2-NE 2.63Å; E107-R146 IonicContact OE2-NH1 2.65Å; E107-R146 PolarHBondContact OE2-NH1 2.65Å; L111-R146 HydrophobicContact CD2-CB 4.43Å; A142-R146 PolarHBondContact O-N 2.81Å; I143-R146 PolarHBondContact O-N 2.9Å; K144-R146 PolarHBondContact O-N 2.95Å; R146-T149 PolarHBondContact O-OG1 2.78Å; R146-T149 VanDerWaalsContact O-OG1 3.08Å; R146-Y150 WeakPolarHBondContact O-CD2 3.45Å; R146-I502 PolarHBondContact NH2-O 3.38Å; R146-N503 WeakPolarHBondContact CD-ND2 3.49Å; R146-N503 WeakPolarHBondContact CG-ND2 3.27Å; R146-N503 PolarHBondContact NE-ND2 3.36Å; R146-N503 VanDerWaalsContact NE-ND2 3.13Å; R146-N503 PolarHBondContact NH2-O 3.42Å
147	V	50.6	Low	50.6	Low	21 Å²	21	49.3 Å²	49.3	13%	0.127	27%	0.272	C	S	.	.	H	α-helix	trans	-85.3	-24.3	179.4	-176.3	0	0	0	0	111.7	V80 L111 I143 T149 Y150	V80-V147 HydrophobicContact CG2-CG2 4.22Å; L111-V147 HydrophobicContact CD1-CG2 3.64Å; I143-V147 HydrophobicContact CG2-CG2 4.04Å; I143-V147 WeakPolarHBondContact O-CB 3.32Å; I143-V147 VanDerWaalsContact O-CG2 3.29Å; I143-V147 WeakPolarHBondContact O-CG2 3.35Å; I143-V147 PolarHBondContact O-N 3.41Å; V147-T149 PolarHBondContact O-N 3.11Å; V147-Y150 CarbonylContact O-C 3.54Å; V147-Y150 VanDerWaalsContact O-C 3.28Å; V147-Y150 PolarHBondContact O-N 3.12Å
148	L	46.7	Very low	50.9	Low	132 Å²	132	48 Å²	48	69%	0.691	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.8	176.4	-149.3	79.5	0	0	0	112.7	K144 Y150	K144-L148 WeakPolarHBondContact O-CB 3.44Å; K144-L148 PolarHBondContact O-N 3.16Å; K144-L148 VanDerWaalsContact O-N 3.08Å; L148-Y150 PolarHBondContact O-N 2.94Å
149	T	44.4	Very low	51.3	Low	98 Å²	98	45.5 Å²	45.5	60%	0.601	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-15	174.1	3.1	0	0	0	0	113.5	R146 V147	R146-T149 PolarHBondContact O-OG1 2.78Å; R146-T149 VanDerWaalsContact O-OG1 3.08Å; V147-T149 PolarHBondContact O-N 3.11Å
150	Y	44.2	Very low	51.8	Low	60 Å²	60	47.9 Å²	47.9	24%	0.235	27%	0.269	C	S	.	.	S	Bend	trans	-137.4	93	-172.6	-62.1	-68.3	0	0	0	110.6	L104 E107 R146 V147 L148 L152	L104-Y150 VanDerWaalsContact CD2-CB 3.44Å; L104-Y150 HydrophobicContact CD2-CD1 3.29Å; L104-Y150 HydrophobicContact CD2-CD2 3.85Å; L104-Y150 HydrophobicContact CD2-CE1 3.88Å; L104-Y150 HydrophobicContact CD2-CE2 4.39Å; L104-Y150 HydrophobicContact CD2-CG 3.24Å; L104-Y150 HydrophobicContact CG-CD1 4.48Å; E107-Y150 HydrophobicContact CG-CE2 4.07Å; R146-Y150 WeakPolarHBondContact O-CD2 3.45Å; V147-Y150 CarbonylContact O-C 3.54Å; V147-Y150 VanDerWaalsContact O-C 3.28Å; V147-Y150 PolarHBondContact O-N 3.12Å; L148-Y150 PolarHBondContact O-N 2.94Å; Y150-L152 PolarHBondContact O-N 2.84Å
151	T	44.4	Very low	52	Low	108 Å²	108	52.1 Å²	52.1	66%	0.663	30%	0.296	S	S	*	.			trans	-66.6	74.9	173.9	42.7	0	0	0	0	111.7	S153	T151-S153 PolarHBondContact O-N 2.85Å; T151-S153 VanDerWaalsContact O-N 3.13Å
152	L	46.9	Very low	52.1	Low	31 Å²	31	55.2 Å²	55.2	16%	0.162	31%	0.312	C	S	.	.			trans	-54.6	118.9	162.4	-72	172.2	0	0	0	107.6	Y73 L79 L104 Y150 A154 L159	Y73-L152 WeakPolarHBondContact CD1-O 3.33Å; L79-L152 HydrophobicContact CD2-CB 4.14Å; L79-L152 HydrophobicContact CD2-CD1 4.02Å; L104-L152 HydrophobicContact CD1-CD2 4.2Å; Y150-L152 PolarHBondContact O-N 2.84Å; L152-A154 VanDerWaalsContact C-N 3.32Å; L152-A154 PolarHBondContact O-N 2.95Å; L152-L159 HydrophobicContact CD1-CD2 4.3Å; L152-L159 HydrophobicContact CD2-CD2 4.35Å
153	S	44.9	Very low	52.6	Low	81 Å²	81	55.4 Å²	55.4	57%	0.566	31%	0.312	S	S	*	.			trans	-63	92	179.9	-179.8	0	0	0	0	110.1	T151 R155	T151-S153 PolarHBondContact O-N 2.85Å; T151-S153 VanDerWaalsContact O-N 3.13Å; S153-R155 PolarHBondContact O-N 2.67Å
154	A	50.7	Low	53.2	Low	8 Å²	8	55.6 Å²	55.6	7%	0.066	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-67.3	-8.5	-171.1	0	0	0	0	0	113.5	Y73 V74 L152 F156 L157 I391	Y73-A154 HydrophobicContact CD1-CB 4.04Å; V74-A154 HydrophobicContact CB-CB 4.08Å; V74-A154 HydrophobicContact CG2-CB 4.14Å; L152-A154 VanDerWaalsContact C-N 3.32Å; L152-A154 PolarHBondContact O-N 2.95Å; A154-F156 PolarHBondContact O-N 2.8Å; A154-L157 PolarHBondContact O-N 2.82Å; A154-I391 VanDerWaalsContact O-CD1 3.23Å; A154-I391 WeakPolarHBondContact O-CD1 3.44Å
155	R	52	Low	53.7	Low	118 Å²	118	59.6 Å²	59.6	45%	0.445	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-54.9	-21.4	-174.3	-155	174.8	-165.5	-166.8	-0	114.5	N71 S153	N71-R155 PolarHBondContact OD1-NE 3.06Å; N71-R155 PolarHBondContact OD1-NH2 3.36Å; S153-R155 PolarHBondContact O-N 2.67Å
156	F	51.8	Low	54.2	Low	43 Å²	43	59 Å²	59	19%	0.189	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-139.8	6.6	178.7	-65.6	-77.5	0	0	0	115	A154 I158 N173 S228 N230	A154-F156 PolarHBondContact O-N 2.8Å; F156-I158 HydrophobicContact CB-CB 4.28Å; F156-I158 HydrophobicContact CB-CD1 3.51Å; F156-I158 HydrophobicContact CB-CG1 3.55Å; F156-I158 HydrophobicContact CD2-CD1 4.17Å; F156-I158 HydrophobicContact CG-CD1 3.93Å; F156-I158 HydrophobicContact CG-CG1 4.48Å; F156-I158 PolarHBondContact O-N 2.73Å; F156-N173 WeakPolarHBondContact CE1-OD1 3.34Å; F156-N173 VanDerWaalsContact CZ-OD1 3.24Å; F156-N173 WeakPolarHBondContact CZ-OD1 3.47Å; F156-S228 WeakPolarHBondContact O-CB 3.37Å; F156-S228 PolarHBondContact O-OG 3.18Å; F156-N230 HydrophobicContact CD1-CB 4.15Å; F156-N230 HydrophobicContact CE1-CB 4.18Å
157	L	58.9	Low	54.9	Low	6 Å²	6	58.8 Å²	58.8	3%	0.031	32%	0.321	C	S	.	.			trans	55.7	6.8	-167.3	-97.2	138.4	0	0	0	114.4	L79 I82 L83 A154 L159 I335 I391	L79-L157 HydrophobicContact CD1-CD2 3.31Å; L79-L157 HydrophobicContact CD1-CG 3.83Å; I82-L157 HydrophobicContact CG2-CD2 4.01Å; L83-L157 HydrophobicContact CD2-CD2 3.79Å; L83-L157 HydrophobicContact CG-CD2 4.05Å; A154-L157 PolarHBondContact O-N 2.82Å; L157-L159 PolarHBondContact O-N 3.36Å; L157-I335 HydrophobicContact CD1-CD1 3.57Å; L157-I391 HydrophobicContact CD1-CB 4.12Å; L157-I391 HydrophobicContact CD1-CD1 4.07Å; L157-I391 HydrophobicContact CD1-CG2 3.6Å
158	I	55.8	Low	56.1	Low	65 Å²	65	60.7 Å²	60.7	33%	0.333	33%	0.333	S	S	.	.			trans	-69	108.2	-178.6	-63.7	163.6	0	0	0	108.7	F156	F156-I158 HydrophobicContact CB-CB 4.28Å; F156-I158 HydrophobicContact CB-CD1 3.51Å; F156-I158 HydrophobicContact CB-CG1 3.55Å; F156-I158 HydrophobicContact CD2-CD1 4.17Å; F156-I158 HydrophobicContact CG-CD1 3.93Å; F156-I158 HydrophobicContact CG-CG1 4.48Å; F156-I158 PolarHBondContact O-N 2.73Å
159	L	60.5	Low	57.5	Low	5 Å²	5	55.4 Å²	55.4	3%	0.026	31%	0.306	C	S	.	.			trans	-70.7	134.2	163.2	-69	-177	0	0	0	109.1	L83 L89 L108 L152 L157 L163 V164	L83-L159 HydrophobicContact CD1-CD1 4.09Å; L83-L159 HydrophobicContact CD1-CD2 3.84Å; L83-L159 HydrophobicContact CD1-CG 4.19Å; L83-L159 HydrophobicContact CD2-CD1 3.9Å; L83-L159 HydrophobicContact CD2-CG 4.12Å; L89-L159 HydrophobicContact CD1-CD1 3.9Å; L89-L159 HydrophobicContact CD2-CD1 3.96Å; L89-L159 HydrophobicContact CG-CD1 4.49Å; L108-L159 HydrophobicContact CD2-CD1 4.2Å; L108-L159 HydrophobicContact CD2-CD2 4.5Å; L152-L159 HydrophobicContact CD1-CD2 4.3Å; L152-L159 HydrophobicContact CD2-CD2 4.35Å; L157-L159 PolarHBondContact O-N 3.36Å; L159-L163 HydrophobicContact CB-CB 4.14Å; L159-L163 HydrophobicContact CB-CD1 3.93Å; L159-L163 HydrophobicContact CB-CG 4.45Å; L159-L163 HydrophobicContact CD2-CD1 3.82Å; L159-L163 HydrophobicContact CG-CD1 4.32Å; L159-V164 HydrophobicContact CB-CG1 3.57Å; L159-V164 HydrophobicContact CD1-CG1 3.56Å; L159-V164 HydrophobicContact CG-CG1 4.2Å
160	P	59.7	Low	59	Low	52 Å²	52	53 Å²	53	34%	0.338	29%	0.293	S	S	.	.			trans	-51.1	142.5	175	3.5	-16.4	0	0	0	111.6	L104 V162 L163	L104-P160 HydrophobicContact CD1-CG 4.43Å; P160-V162 PolarHBondContact O-N 3.49Å; P160-L163 HydrophobicContact CB-CG 4.42Å; P160-L163 HydrophobicContact CG-CD1 3.76Å; P160-L163 HydrophobicContact CG-CG 3.87Å; P160-L163 WeakPolarHBondContact O-CB 3.36Å; P160-L163 WeakPolarHBondContact O-CG 3.27Å; P160-L163 PolarHBondContact O-N 3.14Å
161	P	57.7	Low	60.7	Low	97 Å²	97	51.3 Å²	51.3	63%	0.63	29%	0.294	S	S	*	.	H	α-helix	trans	-52.6	-32.5	-170.2	-30.9	35.7	0	0	0	114.8	L163 V164 F165	P161-L163 PolarHBondContact O-N 3.24Å; P161-L163 VanDerWaalsContact O-N 3.14Å; P161-V164 PolarHBondContact O-N 2.97Å; P161-V164 VanDerWaalsContact O-N 3.14Å; P161-F165 WeakPolarHBondContact O-CB 3.48Å; P161-F165 PolarHBondContact O-N 3.45Å
162	V	57.4	Low	62.6	Low	97 Å²	97	47 Å²	47	59%	0.588	27%	0.267	S	S	*	.	H	α-helix	trans	-56.1	-26	175.4	-173.7	0	0	0	0	113.4	P160	P160-V162 PolarHBondContact O-N 3.49Å
163	L	60.6	Low	64.4	Low	10 Å²	10	48.6 Å²	48.6	5%	0.052	28%	0.276	C	S	.	.	H	α-helix	trans	-82.3	-29.8	-179.2	-50.7	-167.6	0	0	0	112.8	L104 T105 L159 P160 P161	L104-L163 HydrophobicContact CB-CD1 4.25Å; L104-L163 HydrophobicContact CB-CD2 3.87Å; T105-L163 HydrophobicContact CG2-CB 4.02Å; T105-L163 HydrophobicContact CG2-CD2 4.12Å; T105-L163 WeakPolarHBondContact CG2-O 3.3Å; T105-L163 WeakPolarHBondContact OG1-CD2 3.47Å; L159-L163 HydrophobicContact CB-CB 4.14Å; L159-L163 HydrophobicContact CB-CD1 3.93Å; L159-L163 HydrophobicContact CB-CG 4.45Å; L159-L163 HydrophobicContact CD2-CD1 3.82Å; L159-L163 HydrophobicContact CG-CD1 4.32Å; P160-L163 HydrophobicContact CB-CG 4.42Å; P160-L163 HydrophobicContact CG-CD1 3.76Å; P160-L163 HydrophobicContact CG-CG 3.87Å; P160-L163 WeakPolarHBondContact O-CB 3.36Å; P160-L163 WeakPolarHBondContact O-CG 3.27Å; P160-L163 PolarHBondContact O-N 3.14Å; P161-L163 PolarHBondContact O-N 3.24Å; P161-L163 VanDerWaalsContact O-N 3.14Å
164	V	66.6	Low	66.4	Low	4 Å²	4	44.9 Å²	44.9	2%	0.024	25%	0.249	C	C	.	.	H	α-helix	trans	-119.6	-24.6	-162.5	-62.3	0	0	0	0	114.3	L89 L159 P161 I167 V169	L89-V164 HydrophobicContact CD1-CB 4.29Å; L89-V164 HydrophobicContact CD1-CG1 3.48Å; L89-V164 VanDerWaalsContact CD1-CG1 3.48Å; L159-V164 HydrophobicContact CB-CG1 3.57Å; L159-V164 HydrophobicContact CD1-CG1 3.56Å; L159-V164 HydrophobicContact CG-CG1 4.2Å; P161-V164 PolarHBondContact O-N 2.97Å; P161-V164 VanDerWaalsContact O-N 3.14Å; V164-I167 HydrophobicContact CB-CB 4.4Å; V164-I167 WeakPolarHBondContact CG2-O 3.23Å; V164-I167 VanDerWaalsContact O-CB 3.29Å; V164-I167 WeakPolarHBondContact O-CB 3.3Å; V164-I167 PolarHBondContact O-N 3.03Å; V164-V169 HydrophobicContact CB-CG2 4.29Å; V164-V169 HydrophobicContact CG1-CG2 4.2Å; V164-V169 HydrophobicContact CG2-CG2 4.15Å
165	F	62.4	Low	68.2	Low	144 Å²	144	46.4 Å²	46.4	63%	0.632	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	131.1	-176	-172.6	-89.8	0	0	0	112.7	R92 P161	R92-F165 PolarHBondContact NE-O 3.4Å; R92-F165 PolarHBondContact NH2-O 3.44Å; P161-F165 WeakPolarHBondContact O-CB 3.48Å; P161-F165 PolarHBondContact O-N 3.45Å
166	P	65.6	Low	69.8	Low	49 Å²	49	42.7 Å²	42.7	32%	0.318	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	cis	-81.3	-7.6	12.2	32.8	-37.7	0	0	0	117.1	V168	P166-V168 PolarHBondContact O-N 2.74Å; P166-V168 VanDerWaalsContact O-N 3.15Å
167	I	71.3	Confident	71.2	Confident	6 Å²	6	42.8 Å²	42.8	3%	0.031	26%	0.257	C	S	.	.	S	Bend	trans	-62.3	116.3	-177.9	-54.7	165.7	0	0	0	109.5	P88 L89 R92 V164 V169 D225 V226	P88-I167 HydrophobicContact CB-CD1 4.05Å; L89-I167 HydrophobicContact CB-CD1 4.31Å; R92-I167 HydrophobicContact CB-CD1 4.1Å; V164-I167 HydrophobicContact CB-CB 4.4Å; V164-I167 WeakPolarHBondContact CG2-O 3.23Å; V164-I167 VanDerWaalsContact O-CB 3.29Å; V164-I167 WeakPolarHBondContact O-CB 3.3Å; V164-I167 PolarHBondContact O-N 3.03Å; I167-V169 HydrophobicContact CG2-CG2 4.46Å; I167-V169 PolarHBondContact O-N 2.97Å; I167-D225 HydrophobicContact CG2-CB 3.82Å; I167-V226 HydrophobicContact CG2-CG2 4.1Å
168	V	75.4	Confident	72.1	Confident	61 Å²	61	47.6 Å²	47.6	37%	0.37	28%	0.283	S	S	.	.			trans	-85.5	113.7	178.7	-176.7	0	0	0	0	109.7	P166 P224 D225 V226	P166-V168 PolarHBondContact O-N 2.74Å; P166-V168 VanDerWaalsContact O-N 3.15Å; V168-P224 HydrophobicContact CB-CB 4.41Å; V168-P224 HydrophobicContact CG1-CB 4.03Å; V168-P224 WeakPolarHBondContact O-CB 3.5Å; V168-D225 PolarHBondContact N-OD2 3.48Å; V168-D225 PolarHBondContact O-N 2.9Å; V168-V226 PolarHBondContact O-N 3.05Å
169	V	75.5	Confident	72.8	Confident	21 Å²	21	52.3 Å²	52.3	13%	0.127	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117.7	171.2	-172.5	0	0	0	0	108.9	V164 I167 V226	V164-V169 HydrophobicContact CB-CG2 4.29Å; V164-V169 HydrophobicContact CG1-CG2 4.2Å; V164-V169 HydrophobicContact CG2-CG2 4.15Å; I167-V169 HydrophobicContact CG2-CG2 4.46Å; I167-V169 PolarHBondContact O-N 2.97Å; V169-V226 WeakPolarHBondContact CA-O 3.02Å; V169-V226 HydrophobicContact CG1-CB 4.36Å; V169-V226 HydrophobicContact CG1-CG1 4.42Å; V169-V226 HydrophobicContact CG2-CB 4.17Å
170	S	77.2	Confident	73.3	Confident	46 Å²	46	53.8 Å²	53.8	32%	0.322	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	137.5	176.8	-67.1	0	0	0	0	111.3	V226 S228	S170-V226 PolarHBondContact N-O 3.35Å; S170-S228 PolarHBondContact O-N 3.47Å
171	G	79.4	Confident	74.1	Confident	25 Å²	25	52.1 Å²	52.1	26%	0.258	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	138.4	174.6	0	0	0	0	0	112.5	S228	G171-S228 CarbonylContact C-O 3.56Å; G171-S228 VanDerWaalsContact CA-O 3.24Å; G171-S228 WeakPolarHBondContact CA-O 3.46Å
172	I	84.2	Confident	74.8	Confident	19 Å²	19	53.9 Å²	53.9	10%	0.097	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.2	175	-61.7	-172.5	0	0	0	108.7	L191 F195 L227 S228 I229 N230	I172-L191 HydrophobicContact CG2-CD1 4.36Å; I172-F195 HydrophobicContact CD1-CD1 3.47Å; I172-F195 VanDerWaalsContact CD1-CD1 3.47Å; I172-F195 HydrophobicContact CD1-CD2 4Å; I172-F195 HydrophobicContact CD1-CE1 3.18Å; I172-F195 HydrophobicContact CD1-CE2 3.73Å; I172-F195 HydrophobicContact CD1-CG 3.87Å; I172-F195 HydrophobicContact CD1-CZ 3.33Å; I172-L227 HydrophobicContact CD1-CD1 3.64Å; I172-L227 HydrophobicContact CG1-CD1 3.89Å; I172-S228 PolarHBondContact N-O 3.05Å; I172-I229 CarbonylContact O-C 3.32Å; I172-I229 WeakPolarHBondContact O-CA 2.87Å; I172-N230 PolarHBondContact O-N 3.32Å
173	N	83.8	Confident	75.9	Confident	64 Å²	64	55.5 Å²	55.5	34%	0.342	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	135.5	164.5	-70.2	-41.1	0	0	0	108.2	F156 A175 S194 N230	F156-N173 WeakPolarHBondContact CE1-OD1 3.34Å; F156-N173 VanDerWaalsContact CZ-OD1 3.24Å; F156-N173 WeakPolarHBondContact CZ-OD1 3.47Å; N173-A175 PolarHBondContact O-N 3Å; N173-S194 WeakPolarHBondContact O-CB 3.42Å; N173-N230 PolarHBondContact OD1-ND2 3.02Å
174	L	88.6	Confident	76.8	Confident	3 Å²	3	62.5 Å²	62.5	2%	0.016	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-61.8	126.6	161.8	-64.5	-176.6	0	0	0	109.4	F176 F187 L190 L191 S194 I229 N230 C231 W242	L174-F176 HydrophobicContact CB-CE2 3.77Å; L174-F176 HydrophobicContact CB-CZ 3.7Å; L174-F176 HydrophobicContact CD1-CZ 4.18Å; L174-F176 WeakPolarHBondContact O-CE2 3.3Å; L174-F187 HydrophobicContact CD1-CE2 4.1Å; L174-F187 HydrophobicContact CD2-CE2 4.49Å; L174-L190 HydrophobicContact CD1-CD2 4.08Å; L174-L190 HydrophobicContact CD2-CG 4.45Å; L174-L191 HydrophobicContact CD2-CD1 4Å; L174-S194 WeakPolarHBondContact CA-OG 3.19Å; L174-I229 HydrophobicContact CD1-CG2 4.48Å; L174-I229 HydrophobicContact CD2-CG2 3.65Å; L174-I229 HydrophobicContact CG-CG2 3.79Å; L174-N230 PolarHBondContact N-O 3.49Å; L174-C231 HydrophobicContact CD1-CB 4.45Å; L174-W242 HydrophobicContact CD1-CZ2 3.86Å
175	A	86.9	Confident	77.8	Confident	39 Å²	39	63.5 Å²	63.5	32%	0.322	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-103.1	132.1	175.4	0	0	0	0	0	108.9	N173 L190 S194	N173-A175 PolarHBondContact O-N 3Å; A175-L190 VanDerWaalsContact O-CD1 3.28Å; A175-L190 WeakPolarHBondContact O-CD1 3.11Å; A175-S194 PolarHBondContact N-OG 3.15Å
176	F	86.4	Confident	79	Confident	41 Å²	41	58.1 Å²	58.1	18%	0.18	32%	0.319	C	S	.	.			trans	-119	121.6	-178.1	-54.5	-92.5	0	0	0	108.8	L174 L181 L190 C231 N232 I238 F241 W242	L174-F176 HydrophobicContact CB-CE2 3.77Å; L174-F176 HydrophobicContact CB-CZ 3.7Å; L174-F176 HydrophobicContact CD1-CZ 4.18Å; L174-F176 WeakPolarHBondContact O-CE2 3.3Å; F176-L181 HydrophobicContact CB-CD2 4.04Å; F176-L181 HydrophobicContact CD1-CD2 4.36Å; F176-L190 HydrophobicContact CD1-CD1 3.97Å; F176-L190 HydrophobicContact CD1-CD2 4.33Å; F176-L190 HydrophobicContact CE1-CD1 4.19Å; F176-L190 HydrophobicContact CE1-CD2 3.75Å; F176-L190 HydrophobicContact CZ-CD2 4.43Å; F176-C231 WeakPolarHBondContact CZ-O 3.32Å; F176-N232 HydrophobicContact CE2-CB 4.49Å; F176-I238 HydrophobicContact CB-CG1 4.45Å; F176-I238 HydrophobicContact CD1-CG2 4.32Å; F176-I238 HydrophobicContact CD2-CD1 3.57Å; F176-I238 HydrophobicContact CD2-CG1 4.01Å; F176-I238 HydrophobicContact CD2-CG2 4.2Å; F176-I238 HydrophobicContact CE1-CG2 3.94Å; F176-I238 HydrophobicContact CE2-CD1 3.94Å; F176-I238 HydrophobicContact CE2-CG1 4.42Å; F176-I238 HydrophobicContact CE2-CG2 3.81Å; F176-I238 HydrophobicContact CG-CD1 4.15Å; F176-I238 HydrophobicContact CG-CG1 4.11Å; F176-I238 HydrophobicContact CG-CG2 4.46Å; F176-I238 HydrophobicContact CZ-CG2 3.67Å; F176-F241 HydrophobicContact CD1-CD1 4.17Å; F176-F241 HydrophobicContact CD1-CE1 4.01Å; F176-F241 AromaticContact CE1-CD1 3.99Å; F176-F241 HydrophobicContact CE1-CD1 3.99Å; F176-F241 AromaticContact CE1-CE1 3.75Å; F176-F241 HydrophobicContact CE1-CE1 3.75Å; F176-W242 AromaticContact CE1-NE1 3.85Å; F176-W242 AromaticContact CZ-NE1 3.68Å
177	A	81.6	Confident	80.1	Confident	44 Å²	44	55.8 Å²	55.8	36%	0.364	30%	0.303	S	S	.	.			trans	-84	140.1	169.6	0	0	0	0	0	110	E179 Q180 L181	A177-E179 PolarHBondContact O-N 3.18Å; A177-Q180 HydrophobicContact CB-CG 4.1Å; A177-Q180 PolarHBondContact O-N 2.78Å; A177-L181 PolarHBondContact O-N 3.18Å
178	D	76.8	Confident	81	Confident	107 Å²	107	56.2 Å²	56.2	57%	0.572	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-56.6	-37.7	-177.2	-92	-55.4	0	0	0	112.5	Q180 L181 K237	D178-Q180 VanDerWaalsContact C-N 3.32Å; D178-Q180 PolarHBondContact O-N 2.94Å; D178-L181 WeakPolarHBondContact O-CB 2.93Å; D178-L181 PolarHBondContact O-N 3.38Å; D178-K237 IonicContact OD1-NZ 3.93Å; D178-K237 PolarHBondContact OD1-NZ 3.18Å
179	E	72.2	Confident	81.7	Confident	164 Å²	164	57.4 Å²	57.4	77%	0.766	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-57.3	-42.9	176	-64	169.1	-177.5	0	0	112	A177 L181 L182	A177-E179 PolarHBondContact O-N 3.18Å; E179-L181 VanDerWaalsContact C-N 3.31Å; E179-L181 PolarHBondContact O-N 3.23Å; E179-L182 PolarHBondContact O-N 2.8Å
180	Q	69.2	Low	82.4	Confident	36 Å²	36	56.4 Å²	56.4	17%	0.168	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-76.2	-16.8	-176.7	-62.2	174.4	-15.9	0	0	113.4	A177 D178 L182 E183 Q193 F241	A177-Q180 HydrophobicContact CB-CG 4.1Å; A177-Q180 PolarHBondContact O-N 2.78Å; D178-Q180 VanDerWaalsContact C-N 3.32Å; D178-Q180 PolarHBondContact O-N 2.94Å; Q180-L182 PolarHBondContact O-N 3.1Å; Q180-L182 VanDerWaalsContact O-N 3.11Å; Q180-E183 PolarHBondContact O-N 2.9Å; Q180-Q193 VanDerWaalsContact NE2-CD 3.3Å; Q180-Q193 VanDerWaalsContact NE2-NE2 3.11Å; Q180-F241 WeakPolarHBondContact O-CE2 3.28Å
181	L	76.4	Confident	83.2	Confident	17 Å²	17	54.2 Å²	54.2	9%	0.089	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-65	-11.9	175.6	-64.1	174.9	0	0	0	112.3	F176 A177 D178 E179 K237 I238 F241 R244	F176-L181 HydrophobicContact CB-CD2 4.04Å; F176-L181 HydrophobicContact CD1-CD2 4.36Å; A177-L181 PolarHBondContact O-N 3.18Å; D178-L181 WeakPolarHBondContact O-CB 2.93Å; D178-L181 PolarHBondContact O-N 3.38Å; E179-L181 VanDerWaalsContact C-N 3.31Å; E179-L181 PolarHBondContact O-N 3.23Å; L181-K237 HydrophobicContact CD1-CB 3.88Å; L181-K237 HydrophobicContact CD1-CD 3.95Å; L181-I238 HydrophobicContact CD2-CG1 4.32Å; L181-F241 HydrophobicContact CD2-CB 3.75Å; L181-F241 HydrophobicContact CD2-CD2 4.17Å; L181-F241 HydrophobicContact CD2-CG 3.95Å; L181-R244 PolarHBondContact O-NH1 3.32Å
182	L	74.4	Confident	83.7	Confident	135 Å²	135	55.1 Å²	55.1	71%	0.707	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-31.2	174.3	-60.6	-178.7	0	0	0	113.1	E179 Q180 R244	E179-L182 PolarHBondContact O-N 2.8Å; Q180-L182 PolarHBondContact O-N 3.1Å; Q180-L182 VanDerWaalsContact O-N 3.11Å; L182-R244 VanDerWaalsContact C-NH1 3.34Å; L182-R244 VanDerWaalsContact CA-NH1 3.3Å; L182-R244 PolarHBondContact O-NH1 2.99Å
183	E	78.9	Confident	83.9	Confident	130 Å²	130	57.1 Å²	57.1	61%	0.607	29%	0.29	S	S	*	.	S	Bend	trans	-86.1	171.9	-170.8	-61	-164.8	152.6	0	0	115.1	Q180 Q245	Q180-E183 PolarHBondContact O-N 2.9Å; E183-Q245 PolarHBondContact O-NE2 2.97Å
184	K	80.4	Confident	84.3	Confident	157 Å²	157	54.3 Å²	54.3	68%	0.683	28%	0.276	S	S	*	.			trans	-94.8	117.4	170.7	-68.4	173.5	-179.9	177.2	0	108.6	V248	K184-V248 HydrophobicContact CD-CG1 3.9Å; K184-V248 HydrophobicContact CD-CG2 4.26Å; K184-V248 HydrophobicContact CG-CG1 4.35Å; K184-V248 HydrophobicContact CG-CG2 4.29Å
185	I	87.3	Confident	84.2	Confident	26 Å²	26	54.7 Å²	54.7	13%	0.133	28%	0.277	C	S	.	.			trans	-130.9	145.2	-179.2	-166.9	172.4	0	0	0	109.4	K189 L190 F241 Q245 W277	I185-K189 HydrophobicContact CD1-CB 4.2Å; I185-K189 HydrophobicContact CD1-CG 4.12Å; I185-K189 HydrophobicContact CG1-CB 3.91Å; I185-K189 HydrophobicContact CG1-CG 4.19Å; I185-L190 HydrophobicContact CD1-CB 4.35Å; I185-F241 HydrophobicContact CG2-CE2 3.61Å; I185-F241 HydrophobicContact CG2-CZ 3.44Å; I185-F241 VanDerWaalsContact CG2-CZ 3.44Å; I185-Q245 PolarHBondContact O-OE1 2.9Å; I185-W277 PolarHBondContact O-NE1 3.35Å
186	S	86.5	Confident	84	Confident	31 Å²	31	54.9 Å²	54.9	22%	0.217	27%	0.272	C	S	.	.			trans	-81.1	156.6	173.3	76.9	0	0	0	0	111.3	E188 K189 L190	S186-E188 VanDerWaalsContact C-N 3.27Å; S186-E188 WeakPolarHBondContact CB-OE2 3.09Å; S186-E188 PolarHBondContact O-N 3.32Å; S186-E188 PolarHBondContact OG-OE2 3.4Å; S186-K189 PolarHBondContact O-N 3.04Å; S186-L190 PolarHBondContact O-N 2.78Å; S186-L190 VanDerWaalsContact O-N 3.16Å
187	F	90.4	Very high	83.5	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-39.2	-179.5	178.5	-92.6	0	0	0	111.6	L174 K189 L190 L191 I229 W277 L278 P279 L392	L174-F187 HydrophobicContact CD1-CE2 4.1Å; L174-F187 HydrophobicContact CD2-CE2 4.49Å; F187-K189 VanDerWaalsContact C-N 3.32Å; F187-K189 PolarHBondContact O-N 2.95Å; F187-L190 PolarHBondContact O-N 2.71Å; F187-L191 HydrophobicContact CE1-CB 4.39Å; F187-L191 HydrophobicContact CE1-CD2 3.98Å; F187-L191 WeakPolarHBondContact O-CB 3.26Å; F187-L191 PolarHBondContact O-N 3.07Å; F187-I229 HydrophobicContact CE1-CD1 4.45Å; F187-I229 HydrophobicContact CZ-CD1 4.17Å; F187-W277 HydrophobicContact CB-CD2 4.28Å; F187-W277 HydrophobicContact CB-CZ2 4.23Å; F187-W277 VanDerWaalsContact CB-O 3.27Å; F187-W277 WeakPolarHBondContact CB-O 3.45Å; F187-W277 HydrophobicContact CD2-CE3 4.34Å; F187-W277 HydrophobicContact CD2-CH2 4.05Å; F187-W277 AromaticContact CD2-CZ3 3.92Å; F187-W277 HydrophobicContact CD2-CZ3 3.92Å; F187-L278 HydrophobicContact CD1-CD1 3.96Å; F187-L278 HydrophobicContact CD2-CD1 3.81Å; F187-L278 HydrophobicContact CE1-CD1 3.71Å; F187-L278 HydrophobicContact CE2-CD1 3.56Å; F187-L278 HydrophobicContact CG-CD1 4.01Å; F187-L278 HydrophobicContact CZ-CD1 3.51Å; F187-P279 HydrophobicContact CD1-CG 3.87Å; F187-L392 HydrophobicContact CE2-CD1 3.89Å; F187-L392 HydrophobicContact CZ-CD1 3.65Å
188	E	90.2	Very high	83.5	Confident	15 Å²	15	57.6 Å²	57.6	7%	0.07	28%	0.281	C	S	.	.	H	α-helix	trans	-53.4	-47.9	175.1	-46	76.9	-111.2	0	0	111.8	S186 L191 E192 R274 I294 D296	S186-E188 VanDerWaalsContact C-N 3.27Å; S186-E188 WeakPolarHBondContact CB-OE2 3.09Å; S186-E188 PolarHBondContact O-N 3.32Å; S186-E188 PolarHBondContact OG-OE2 3.4Å; E188-L191 PolarHBondContact O-N 3.33Å; E188-E192 WeakPolarHBondContact O-CB 3.3Å; E188-E192 PolarHBondContact O-N 3.33Å; E188-R274 IonicContact OE1-NH2 3.31Å; E188-R274 IonicContact OE2-CZ 2.63Å; E188-R274 IonicContact OE2-NH2 2.73Å; E188-R274 PolarHBondContact OE2-NH2 2.88Å; E188-I294 HydrophobicContact CB-CB 4.12Å; E188-I294 HydrophobicContact CB-CG2 3.88Å; E188-I294 WeakPolarHBondContact CB-O 3.4Å; E188-I294 HydrophobicContact CG-CG2 4.35Å; E188-D296 HydrophobicContact CG-CB 3.98Å
189	K	88.9	Confident	83.6	Confident	85 Å²	85	56.1 Å²	56.1	37%	0.37	27%	0.271	S	S	.	.	H	α-helix	trans	-72.8	-36.3	-175.8	-168.8	57.3	171.4	-176.1	0	112.8	I185 S186 F187 L191 E192 Q193	I185-K189 HydrophobicContact CD1-CB 4.2Å; I185-K189 HydrophobicContact CD1-CG 4.12Å; I185-K189 HydrophobicContact CG1-CB 3.91Å; I185-K189 HydrophobicContact CG1-CG 4.19Å; S186-K189 PolarHBondContact O-N 3.04Å; F187-K189 VanDerWaalsContact C-N 3.32Å; F187-K189 PolarHBondContact O-N 2.95Å; K189-L191 VanDerWaalsContact C-N 3.34Å; K189-E192 HydrophobicContact CD-CB 4.46Å; K189-E192 WeakPolarHBondContact CD-OE2 3.17Å; K189-E192 IonicContact NZ-OE1 3.01Å; K189-E192 PolarHBondContact NZ-OE1 3.34Å; K189-E192 IonicContact NZ-OE2 3.03Å; K189-E192 PolarHBondContact NZ-OE2 3.4Å; K189-E192 PolarHBondContact O-N 3.49Å; K189-Q193 WeakPolarHBondContact O-CG 3.2Å; K189-Q193 PolarHBondContact O-N 3.48Å
190	L	91.8	Very high	84.2	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-61.3	-43.9	170.8	178	67.6	0	0	0	111.1	L174 A175 F176 I185 S186 F187 S194 F241 W277	L174-L190 HydrophobicContact CD1-CD2 4.08Å; L174-L190 HydrophobicContact CD2-CG 4.45Å; A175-L190 VanDerWaalsContact O-CD1 3.28Å; A175-L190 WeakPolarHBondContact O-CD1 3.11Å; F176-L190 HydrophobicContact CD1-CD1 3.97Å; F176-L190 HydrophobicContact CD1-CD2 4.33Å; F176-L190 HydrophobicContact CE1-CD1 4.19Å; F176-L190 HydrophobicContact CE1-CD2 3.75Å; F176-L190 HydrophobicContact CZ-CD2 4.43Å; I185-L190 HydrophobicContact CD1-CB 4.35Å; S186-L190 PolarHBondContact O-N 2.78Å; S186-L190 VanDerWaalsContact O-N 3.16Å; F187-L190 PolarHBondContact O-N 2.71Å; L190-S194 WeakPolarHBondContact O-CB 3.43Å; L190-S194 PolarHBondContact O-N 2.95Å; L190-S194 VanDerWaalsContact O-N 3.08Å; L190-S194 PolarHBondContact O-OG 3.14Å; L190-F241 HydrophobicContact CD2-CE1 4.13Å; L190-F241 HydrophobicContact CD2-CZ 4.27Å; L190-W277 HydrophobicContact CD2-CH2 3.67Å; L190-W277 HydrophobicContact CD2-CZ2 4.21Å
191	L	92.7	Very high	85.1	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.2	-41	178.5	-178.1	60.7	0	0	0	111.8	I172 L174 F187 E188 K189 Q193 S194 F195 I229 L282 I294	I172-L191 HydrophobicContact CG2-CD1 4.36Å; L174-L191 HydrophobicContact CD2-CD1 4Å; F187-L191 HydrophobicContact CE1-CB 4.39Å; F187-L191 HydrophobicContact CE1-CD2 3.98Å; F187-L191 WeakPolarHBondContact O-CB 3.26Å; F187-L191 PolarHBondContact O-N 3.07Å; E188-L191 PolarHBondContact O-N 3.33Å; K189-L191 VanDerWaalsContact C-N 3.34Å; L191-Q193 VanDerWaalsContact C-N 3.32Å; L191-Q193 PolarHBondContact O-N 2.77Å; L191-S194 CarbonylContact O-C 3.58Å; L191-S194 WeakPolarHBondContact O-CA 3.22Å; L191-S194 VanDerWaalsContact O-CB 3.29Å; L191-S194 WeakPolarHBondContact O-CB 3.11Å; L191-S194 PolarHBondContact O-N 2.92Å; L191-F195 HydrophobicContact CD1-CE2 4.22Å; L191-F195 HydrophobicContact CD2-CE2 4.49Å; L191-F195 HydrophobicContact CG-CD2 4.37Å; L191-F195 HydrophobicContact CG-CE2 3.99Å; L191-F195 VanDerWaalsContact O-CD2 3.3Å; L191-F195 WeakPolarHBondContact O-CD2 3.46Å; L191-F195 PolarHBondContact O-N 3.32Å; L191-F195 VanDerWaalsContact O-N 3.13Å; L191-I229 HydrophobicContact CD1-CD1 3.76Å; L191-I229 HydrophobicContact CD1-CG1 4.17Å; L191-I229 HydrophobicContact CD1-CG2 4.2Å; L191-I229 HydrophobicContact CD2-CD1 3.67Å; L191-I229 HydrophobicContact CG-CD1 4.39Å; L191-L282 HydrophobicContact CD2-CD1 3.71Å; L191-I294 HydrophobicContact CB-CD1 3.93Å; L191-I294 HydrophobicContact CD2-CD1 3.77Å; L191-I294 HydrophobicContact CG-CD1 3.58Å
192	E	91.2	Very high	85.7	Confident	43 Å²	43	61.5 Å²	61.5	20%	0.201	30%	0.3	C	S	.	.	H	α-helix	trans	-56	-44.1	177.1	-166.3	-157	115.1	0	0	112.2	E188 K189 S194 F195 H196 V292 I294	E188-E192 WeakPolarHBondContact O-CB 3.3Å; E188-E192 PolarHBondContact O-N 3.33Å; K189-E192 HydrophobicContact CD-CB 4.46Å; K189-E192 WeakPolarHBondContact CD-OE2 3.17Å; K189-E192 IonicContact NZ-OE1 3.01Å; K189-E192 PolarHBondContact NZ-OE1 3.34Å; K189-E192 IonicContact NZ-OE2 3.03Å; K189-E192 PolarHBondContact NZ-OE2 3.4Å; K189-E192 PolarHBondContact O-N 3.49Å; E192-S194 VanDerWaalsContact C-N 3.35Å; E192-F195 PolarHBondContact O-N 3.34Å; E192-H196 PolarHBondContact O-ND1 3.33Å; E192-V292 WeakPolarHBondContact CG-O 3.48Å; E192-I294 HydrophobicContact CB-CD1 4.18Å; E192-I294 HydrophobicContact CB-CG1 4.2Å; E192-I294 HydrophobicContact CG-CG1 4.44Å
193	Q	88.1	Confident	86.4	Confident	61 Å²	61	56.4 Å²	56.4	29%	0.285	28%	0.277	S	S	.	.	H	α-helix	trans	-68.7	-35.4	174.9	-67.8	164.5	-10.4	0	0	111.6	Q180 K189 L191 F195 H196	Q180-Q193 VanDerWaalsContact NE2-CD 3.3Å; Q180-Q193 VanDerWaalsContact NE2-NE2 3.11Å; K189-Q193 WeakPolarHBondContact O-CG 3.2Å; K189-Q193 PolarHBondContact O-N 3.48Å; L191-Q193 VanDerWaalsContact C-N 3.32Å; L191-Q193 PolarHBondContact O-N 2.77Å; Q193-F195 PolarHBondContact O-N 3.08Å; Q193-H196 CarbonylContact O-C 3.47Å; Q193-H196 PolarHBondContact O-N 3.32Å
194	S	91	Very high	87	Confident	6 Å²	6	56.9 Å²	56.9	4%	0.042	27%	0.273	C	S	.	.	H	α-helix	trans	-67.2	-18	177.6	-57.7	0	0	0	0	114.1	N173 L174 A175 L190 L191 E192 H196	N173-S194 WeakPolarHBondContact O-CB 3.42Å; L174-S194 WeakPolarHBondContact CA-OG 3.19Å; A175-S194 PolarHBondContact N-OG 3.15Å; L190-S194 WeakPolarHBondContact O-CB 3.43Å; L190-S194 PolarHBondContact O-N 2.95Å; L190-S194 VanDerWaalsContact O-N 3.08Å; L190-S194 PolarHBondContact O-OG 3.14Å; L191-S194 CarbonylContact O-C 3.58Å; L191-S194 WeakPolarHBondContact O-CA 3.22Å; L191-S194 VanDerWaalsContact O-CB 3.29Å; L191-S194 WeakPolarHBondContact O-CB 3.11Å; L191-S194 PolarHBondContact O-N 2.92Å; E192-S194 VanDerWaalsContact C-N 3.35Å; S194-H196 VanDerWaalsContact C-N 3.3Å
195	F	88	Confident	87.5	Confident	10 Å²	10	51.4 Å²	51.4	4%	0.044	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-23	168.8	-86	-88.4	0	0	0	113.3	I172 L191 E192 Q193 P197 I220 L223 L227 I284 V292 I294	I172-F195 HydrophobicContact CD1-CD1 3.47Å; I172-F195 VanDerWaalsContact CD1-CD1 3.47Å; I172-F195 HydrophobicContact CD1-CD2 4Å; I172-F195 HydrophobicContact CD1-CE1 3.18Å; I172-F195 HydrophobicContact CD1-CE2 3.73Å; I172-F195 HydrophobicContact CD1-CG 3.87Å; I172-F195 HydrophobicContact CD1-CZ 3.33Å; L191-F195 HydrophobicContact CD1-CE2 4.22Å; L191-F195 HydrophobicContact CD2-CE2 4.49Å; L191-F195 HydrophobicContact CG-CD2 4.37Å; L191-F195 HydrophobicContact CG-CE2 3.99Å; L191-F195 VanDerWaalsContact O-CD2 3.3Å; L191-F195 WeakPolarHBondContact O-CD2 3.46Å; L191-F195 PolarHBondContact O-N 3.32Å; L191-F195 VanDerWaalsContact O-N 3.13Å; E192-F195 PolarHBondContact O-N 3.34Å; Q193-F195 PolarHBondContact O-N 3.08Å; F195-P197 WeakPolarHBondContact O-CD 3.27Å; F195-I220 HydrophobicContact CD1-CD1 3.82Å; F195-I220 HydrophobicContact CD1-CG1 4.28Å; F195-I220 HydrophobicContact CD1-CG2 3.87Å; F195-I220 HydrophobicContact CE1-CD1 3.73Å; F195-I220 HydrophobicContact CE1-CG2 4.31Å; F195-L223 HydrophobicContact CE1-CD2 4.5Å; F195-L227 HydrophobicContact CZ-CD1 4.42Å; F195-L227 HydrophobicContact CZ-CD2 4.2Å; F195-I284 HydrophobicContact CE2-CD1 4.42Å; F195-I284 HydrophobicContact CZ-CD1 4.23Å; F195-V292 HydrophobicContact CB-CB 4.31Å; F195-V292 HydrophobicContact CB-CG2 3.96Å; F195-V292 HydrophobicContact CD1-CG2 3.88Å; F195-V292 HydrophobicContact CD2-CB 4.36Å; F195-V292 HydrophobicContact CD2-CG1 4Å; F195-V292 HydrophobicContact CD2-CG2 4.4Å; F195-V292 HydrophobicContact CE1-CG2 4.46Å; F195-V292 HydrophobicContact CE2-CG1 4.16Å; F195-V292 HydrophobicContact CG-CB 4.23Å; F195-V292 HydrophobicContact CG-CG1 4.28Å; F195-V292 HydrophobicContact CG-CG2 3.84Å; F195-I294 HydrophobicContact CD2-CD1 3.93Å; F195-I294 HydrophobicContact CE2-CD1 3.65Å
196	H	82.6	Confident	87.7	Confident	44 Å²	44	58 Å²	58	20%	0.204	29%	0.285	C	S	.	.	S	Bend	trans	-123	51.6	-171.4	-51.5	91.2	0	0	0	113	E192 Q193 S194 E198 W219 G290 V292	E192-H196 PolarHBondContact O-ND1 3.33Å; Q193-H196 CarbonylContact O-C 3.47Å; Q193-H196 PolarHBondContact O-N 3.32Å; S194-H196 VanDerWaalsContact C-N 3.3Å; H196-E198 PolarHBondContact O-N 2.96Å; H196-W219 AromaticContact CD2-CE3 3.57Å; H196-W219 AromaticContact CD2-CZ3 3.58Å; H196-W219 AromaticContact NE2-CE3 3.88Å; H196-W219 AromaticContact NE2-CZ3 3.86Å; H196-G290 PolarHBondContact NE2-O 2.85Å; H196-V292 PolarHBondContact CE1-N 2.86Å; H196-V292 VanDerWaalsContact CE1-N 3.33Å
197	P	76.1	Confident	88	Confident	45 Å²	45	67.9 Å²	67.9	29%	0.292	32%	0.317	S	S	.	.			trans	-65.5	114.1	-175.7	28.4	-34.5	0	0	0	110.6	F195	F195-P197 WeakPolarHBondContact O-CD 3.27Å
198	E	80	Confident	88.1	Confident	97 Å²	97	70 Å²	70	45%	0.453	33%	0.332	S	S	.	.			trans	-80.3	124.3	171.9	-173	163.8	150.7	0	0	109.9	H196 T215 R217	H196-E198 PolarHBondContact O-N 2.96Å; E198-T215 VanDerWaalsContact CD-CG2 3.42Å; E198-T215 HydrophobicContact CG-CG2 3.5Å; E198-T215 VanDerWaalsContact CG-CG2 3.5Å; E198-T215 WeakPolarHBondContact OE1-CG2 2.97Å; E198-R217 HydrophobicContact CB-CG 4.36Å; E198-R217 HydrophobicContact CG-CG 4.19Å; E198-R217 IonicContact OE1-NH2 3.11Å; E198-R217 IonicContact OE2-CZ 3.47Å; E198-R217 IonicContact OE2-NE 3.69Å; E198-R217 PolarHBondContact OE2-NE 3.47Å; E198-R217 IonicContact OE2-NH2 3.41Å; E198-R217 PolarHBondContact OE2-NH2 3.05Å
199	Q	80.2	Confident	88.2	Confident	76 Å²	76	73.5 Å²	73.5	36%	0.355	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	110.5	178.3	-65.2	-172.2	2.1	0	0	110.2	H216	Q199-H216 HydrophobicContact CB-CB 4.45Å; Q199-H216 PolarHBondContact N-O 2.9Å; Q199-H216 PolarHBondContact O-N 3.28Å
200	V	84.9	Confident	88.4	Confident	93 Å²	93	74.9 Å²	74.9	56%	0.564	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	118.1	170	-177.5	0	0	0	0	108.5	I213 S214	V200-I213 HydrophobicContact CG1-CG2 3.4Å; V200-I213 VanDerWaalsContact CG1-CG2 3.4Å; V200-S214 WeakPolarHBondContact CA-O 3.38Å
201	K	86.4	Confident	88.4	Confident	109 Å²	109	80.8 Å²	80.8	47%	0.474	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.4	-176.8	-78.5	177.2	169.1	166.6	0	111.8	A203 S214	K201-A203 PolarHBondContact O-N 3.36Å; K201-S214 PolarHBondContact N-O 3.48Å; K201-S214 PolarHBondContact O-N 3.17Å; K201-S214 PolarHBondContact O-OG 2.87Å
202	H	90.8	Very high	88.4	Confident	127 Å²	127	86.7 Å²	86.7	59%	0.588	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	109.2	163.1	-119.9	-118.5	0	0	0	108.5	R212	H202-R212 WeakPolarHBondContact CA-O 3.17Å
203	A	87.8	Confident	88.5	Confident	28 Å²	28	90.5 Å²	90.5	23%	0.231	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	152.7	-179.7	0	0	0	0	0	110.4	K201 C205 F211 R212 S214	K201-A203 PolarHBondContact O-N 3.36Å; A203-C205 PolarHBondContact O-N 3.01Å; A203-F211 WeakPolarHBondContact O-CA 3.42Å; A203-R212 PolarHBondContact N-O 3.17Å; A203-R212 PolarHBondContact O-N 2.88Å; A203-S214 VanDerWaalsContact CB-OG 3.24Å; A203-S214 WeakPolarHBondContact CB-OG 3.45Å
204	W	91.2	Very high	88.4	Confident	140 Å²	140	89.1 Å²	89.1	53%	0.53	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	128.8	171.5	-176.2	-103.2	0	0	0	109.8	S209 F211	W204-S209 WeakPolarHBondContact CH2-O 3.5Å; W204-F211 HydrophobicContact CB-CD1 4.42Å; W204-F211 HydrophobicContact CB-CE1 4.17Å; W204-F211 AromaticContact CE3-CD2 3.82Å; W204-F211 HydrophobicContact CE3-CD2 3.82Å; W204-F211 AromaticContact CE3-CE2 3.74Å; W204-F211 HydrophobicContact CE3-CE2 3.74Å; W204-F211 HydrophobicContact CE3-CG 4.26Å; W204-F211 HydrophobicContact CE3-CZ 4.12Å; W204-F211 HydrophobicContact CZ3-CD2 4.16Å; W204-F211 HydrophobicContact CZ3-CE2 4.13Å
205	C	91.2	Very high	88.3	Confident	43 Å²	43	92.7 Å²	92.7	29%	0.291	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	105.7	173.7	179.1	0	0	0	0	108.8	A203 R207 C208 S209 K210	A203-C205 PolarHBondContact O-N 3.01Å; C205-R207 VanDerWaalsContact C-N 3.32Å; C205-R207 PolarHBondContact O-N 3.46Å; C205-C208 HydrophobicContact CB-CB 4.07Å; C205-C208 CarbonylContact O-C 3.53Å; C205-C208 WeakPolarHBondContact O-CA 3.49Å; C205-C208 PolarHBondContact O-N 2.92Å; C205-C208 VanDerWaalsContact SG-SG 3.65Å; C205-S209 PolarHBondContact O-N 3.38Å; C205-K210 PolarHBondContact N-O 2.94Å
206	E	92.1	Very high	88.1	Confident	163 Å²	163	96.6 Å²	96.6	76%	0.762	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-54.8	-45.4	-178.2	-64.5	-178.8	168.2	0	0	112.2	C208 S209	E206-C208 PolarHBondContact O-N 3.16Å; E206-C208 VanDerWaalsContact O-N 3.1Å; E206-S209 PolarHBondContact O-N 2.92Å; E206-S209 VanDerWaalsContact O-N 3.14Å; E206-S209 PolarHBondContact O-OG 3.43Å
207	R	93.4	Very high	88	Confident	240 Å²	240	101.7 Å²	101.7	91%	0.906	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-60.2	-22.5	177.1	-171.6	-179	-73.9	-169.3	-2.4	113.5	C205	C205-R207 VanDerWaalsContact C-N 3.32Å; C205-R207 PolarHBondContact O-N 3.46Å
208	C	91.9	Very high	88.1	Confident	44 Å²	44	108.3 Å²	108.3	30%	0.297	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-107.1	-6.1	179.3	-65.1	0	0	0	0	114	C205 E206 K210 R212	C205-C208 HydrophobicContact CB-CB 4.07Å; C205-C208 CarbonylContact O-C 3.53Å; C205-C208 WeakPolarHBondContact O-CA 3.49Å; C205-C208 PolarHBondContact O-N 2.92Å; C205-C208 VanDerWaalsContact SG-SG 3.65Å; E206-C208 PolarHBondContact O-N 3.16Å; E206-C208 VanDerWaalsContact O-N 3.1Å; C208-K210 HydrophobicContact CB-CG 4.12Å; C208-K210 PolarHBondContact O-N 3.09Å; C208-R212 VanDerWaalsContact SG-CZ 3.57Å; C208-R212 PolarHBondContact SG-NE 3.24Å; C208-R212 PolarHBondContact SG-NH2 3.29Å
209	S	91.7	Very high	88	Confident	89 Å²	89	109.8 Å²	109.8	62%	0.622	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.6	38.4	-170.7	-61	0	0	0	0	114.5	W204 C205 E206	W204-S209 WeakPolarHBondContact CH2-O 3.5Å; C205-S209 PolarHBondContact O-N 3.38Å; E206-S209 PolarHBondContact O-N 2.92Å; E206-S209 VanDerWaalsContact O-N 3.14Å; E206-S209 PolarHBondContact O-OG 3.43Å
210	K	93.7	Very high	88.1	Confident	113 Å²	113	108.1 Å²	108.1	49%	0.491	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	160.4	175.4	67.6	-173.2	178.8	-178.7	0	112.1	C205 C208 R212	C205-K210 PolarHBondContact N-O 2.94Å; C208-K210 HydrophobicContact CB-CG 4.12Å; C208-K210 PolarHBondContact O-N 3.09Å; K210-R212 HydrophobicContact CG-CG 4.43Å
211	F	92.4	Very high	88	Confident	125 Å²	125	115.4 Å²	115.4	55%	0.548	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	135.6	169.1	-70.6	-84.5	0	0	0	111	A203 W204	A203-F211 WeakPolarHBondContact O-CA 3.42Å; W204-F211 HydrophobicContact CB-CD1 4.42Å; W204-F211 HydrophobicContact CB-CE1 4.17Å; W204-F211 AromaticContact CE3-CD2 3.82Å; W204-F211 HydrophobicContact CE3-CD2 3.82Å; W204-F211 AromaticContact CE3-CE2 3.74Å; W204-F211 HydrophobicContact CE3-CE2 3.74Å; W204-F211 HydrophobicContact CE3-CG 4.26Å; W204-F211 HydrophobicContact CE3-CZ 4.12Å; W204-F211 HydrophobicContact CZ3-CD2 4.16Å; W204-F211 HydrophobicContact CZ3-CE2 4.13Å
212	R	92.1	Very high	88	Confident	124 Å²	124	113.9 Å²	113.9	47%	0.468	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	156.3	170.6	-68.4	-163.6	-175.5	-134.4	9.8	110.4	H202 A203 C208 K210 S214	H202-R212 WeakPolarHBondContact CA-O 3.17Å; A203-R212 PolarHBondContact N-O 3.17Å; A203-R212 PolarHBondContact O-N 2.88Å; C208-R212 VanDerWaalsContact SG-CZ 3.57Å; C208-R212 PolarHBondContact SG-NE 3.24Å; C208-R212 PolarHBondContact SG-NH2 3.29Å; K210-R212 HydrophobicContact CG-CG 4.43Å; R212-S214 PolarHBondContact O-N 3.45Å
213	I	92.4	Very high	87.9	Confident	124 Å²	124	108.4 Å²	108.4	64%	0.636	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.8	127.7	161.6	-59.3	171.7	0	0	0	107.9	V200	V200-I213 HydrophobicContact CG1-CG2 3.4Å; V200-I213 VanDerWaalsContact CG1-CG2 3.4Å
214	S	87.5	Confident	87.9	Confident	32 Å²	32	107.2 Å²	107.2	22%	0.224	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	136.5	-179.5	61.3	0	0	0	0	109.9	V200 K201 A203 R212 H216	V200-S214 WeakPolarHBondContact CA-O 3.38Å; K201-S214 PolarHBondContact N-O 3.48Å; K201-S214 PolarHBondContact O-N 3.17Å; K201-S214 PolarHBondContact O-OG 2.87Å; A203-S214 VanDerWaalsContact CB-OG 3.24Å; A203-S214 WeakPolarHBondContact CB-OG 3.45Å; R212-S214 PolarHBondContact O-N 3.45Å; S214-H216 PolarHBondContact OG-CD2 3.35Å; S214-H216 PolarHBondContact OG-NE2 3Å
215	T	88	Confident	87.7	Confident	80 Å²	80	101.4 Å²	101.4	49%	0.491	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	117.7	178.7	-63.3	0	0	0	0	109.5	E198	E198-T215 VanDerWaalsContact CD-CG2 3.42Å; E198-T215 HydrophobicContact CG-CG2 3.5Å; E198-T215 VanDerWaalsContact CG-CG2 3.5Å; E198-T215 WeakPolarHBondContact OE1-CG2 2.97Å
216	H	83.6	Confident	87.4	Confident	93 Å²	93	99.6 Å²	99.6	43%	0.431	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.1	178.1	-65.1	-105.1	0	0	0	109.3	Q199 S214	Q199-H216 HydrophobicContact CB-CB 4.45Å; Q199-H216 PolarHBondContact N-O 2.9Å; Q199-H216 PolarHBondContact O-N 3.28Å; S214-H216 PolarHBondContact OG-CD2 3.35Å; S214-H216 PolarHBondContact OG-NE2 3Å
217	R	81.4	Confident	87.2	Confident	151 Å²	151	91.8 Å²	91.8	57%	0.57	42%	0.417	S	S	*	.			trans	-113.2	146.5	169.3	-68.1	-178.3	-179.8	160.4	2	109.4	E198	E198-R217 HydrophobicContact CB-CG 4.36Å; E198-R217 HydrophobicContact CG-CG 4.19Å; E198-R217 IonicContact OE1-NH2 3.11Å; E198-R217 IonicContact OE2-CZ 3.47Å; E198-R217 IonicContact OE2-NE 3.69Å; E198-R217 PolarHBondContact OE2-NE 3.47Å; E198-R217 IonicContact OE2-NH2 3.41Å; E198-R217 PolarHBondContact OE2-NH2 3.05Å
218	R	77.3	Confident	87	Confident	183 Å²	183	80.4 Å²	80.4	69%	0.691	37%	0.373	S	S	*	.			trans	-115.1	140.3	173.2	-69.2	-178.5	175.9	-177.2	-2.6	109.1
219	W	78.2	Confident	86.7	Confident	129 Å²	129	78.3 Å²	78.3	49%	0.489	36%	0.359	S	S	.	.			trans	-122.9	137.2	179.5	-59.4	96.9	0	0	0	108.5	H196 K291	H196-W219 AromaticContact CD2-CE3 3.57Å; H196-W219 AromaticContact CD2-CZ3 3.58Å; H196-W219 AromaticContact NE2-CE3 3.88Å; H196-W219 AromaticContact NE2-CZ3 3.86Å; W219-K291 HydrophobicContact CZ3-CG 4.01Å
220	I	82.1	Confident	86.5	Confident	41 Å²	41	74.8 Å²	74.8	21%	0.21	33%	0.334	C	S	.	.			trans	-79.5	144.1	169.4	64.3	161.2	0	0	0	109.4	F195 L223 L286 V292	F195-I220 HydrophobicContact CD1-CD1 3.82Å; F195-I220 HydrophobicContact CD1-CG1 4.28Å; F195-I220 HydrophobicContact CD1-CG2 3.87Å; F195-I220 HydrophobicContact CE1-CD1 3.73Å; F195-I220 HydrophobicContact CE1-CG2 4.31Å; I220-L223 HydrophobicContact CD1-CD2 3.53Å; I220-L223 HydrophobicContact CD1-CG 4.18Å; I220-L286 HydrophobicContact CD1-CD1 3.95Å; I220-L286 HydrophobicContact CD1-CD2 3.95Å; I220-L286 HydrophobicContact CD1-CG 4.47Å; I220-L286 HydrophobicContact CG1-CD1 3.71Å; I220-L286 HydrophobicContact CG1-CD2 4.12Å; I220-V292 HydrophobicContact CD1-CG2 3.71Å; I220-V292 HydrophobicContact CG1-CG2 3.94Å
221	R	82.4	Confident	86.2	Confident	245 Å²	245	69.4 Å²	69.4	93%	0.925	31%	0.31	S	S	*	.	S	Bend	trans	-100.9	-19	175.9	-66.4	-171.7	176.6	-155	-1.7	113.4
222	S	87	Confident	85.8	Confident	78 Å²	78	65 Å²	65	55%	0.545	29%	0.293	S	S	.	.	S	Bend	trans	-156.1	147.6	178.9	55.7	0	0	0	0	109.2
223	L	88.1	Confident	85.5	Confident	12 Å²	12	60.5 Å²	60.5	6%	0.063	28%	0.277	C	S	.	.			trans	-78	134.1	174	-74.4	169.9	0	0	0	109.4	F195 I220 I284 L286 V327 Y329 R396	F195-L223 HydrophobicContact CE1-CD2 4.5Å; I220-L223 HydrophobicContact CD1-CD2 3.53Å; I220-L223 HydrophobicContact CD1-CG 4.18Å; L223-I284 HydrophobicContact CD1-CB 4.22Å; L223-I284 HydrophobicContact CD1-CG2 3.93Å; L223-I284 HydrophobicContact CD2-CB 4.28Å; L223-I284 HydrophobicContact CD2-CG2 3.51Å; L223-I284 HydrophobicContact CG-CG2 4.4Å; L223-L286 HydrophobicContact CD1-CB 3.85Å; L223-L286 HydrophobicContact CG-CB 4.03Å; L223-L286 HydrophobicContact CG-CD2 4.15Å; L223-V327 HydrophobicContact CB-CB 4.42Å; L223-V327 HydrophobicContact CB-CG2 3.92Å; L223-V327 HydrophobicContact CD1-CB 3.9Å; L223-V327 HydrophobicContact CD1-CG2 3.65Å; L223-V327 HydrophobicContact CG-CG2 4.44Å; L223-Y329 WeakPolarHBondContact CB-OH 3.38Å; L223-R396 PolarHBondContact O-NH2 3.1Å
224	P	88.6	Confident	85	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.019	27%	0.273	C	S	.	.			trans	-68	174.9	-177.8	30.9	-39.6	0	0	0	113.4	V168 V226 L227 Y329 R396	V168-P224 HydrophobicContact CB-CB 4.41Å; V168-P224 HydrophobicContact CG1-CB 4.03Å; V168-P224 WeakPolarHBondContact O-CB 3.5Å; P224-V226 WeakPolarHBondContact CB-O 3.39Å; P224-L227 HydrophobicContact CG-CB 4.06Å; P224-L227 HydrophobicContact CG-CD1 4.26Å; P224-Y329 WeakPolarHBondContact CD-OH 3.41Å; P224-Y329 HydrophobicContact CG-CE1 4.46Å; P224-Y329 PolarHBondContact O-OH 3.25Å; P224-R396 PolarHBondContact O-NE 3.25Å; P224-R396 PolarHBondContact O-NH2 3.26Å
225	D	85.9	Confident	84.8	Confident	17 Å²	17	60.8 Å²	60.8	9%	0.091	28%	0.277	C	S	.	.	S	Bend	trans	-84.4	-36.3	167.6	-66.1	-56.4	0	0	0	111.5	I167 V168 S395 R396 L399 H403	I167-D225 HydrophobicContact CG2-CB 3.82Å; V168-D225 PolarHBondContact N-OD2 3.48Å; V168-D225 PolarHBondContact O-N 2.9Å; D225-S395 WeakPolarHBondContact O-CA 3.13Å; D225-R396 PolarHBondContact O-N 3.05Å; D225-R396 IonicContact OD1-NE 2.68Å; D225-L399 HydrophobicContact CB-CD1 4.49Å; D225-L399 HydrophobicContact CB-CD2 3.67Å; D225-H403 IonicContact OD2-NE2 3.33Å
226	V	86	Confident	84.8	Confident	5 Å²	5	61.8 Å²	61.8	3%	0.03	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121.7	176.2	-174.8	0	0	0	0	108.7	V86 I167 V168 V169 S170 P224 L393 Y394 L399	V86-V226 HydrophobicContact CG1-CG2 4.2Å; I167-V226 HydrophobicContact CG2-CG2 4.1Å; V168-V226 PolarHBondContact O-N 3.05Å; V169-V226 WeakPolarHBondContact CA-O 3.02Å; V169-V226 HydrophobicContact CG1-CB 4.36Å; V169-V226 HydrophobicContact CG1-CG1 4.42Å; V169-V226 HydrophobicContact CG2-CB 4.17Å; S170-V226 PolarHBondContact N-O 3.35Å; P224-V226 WeakPolarHBondContact CB-O 3.39Å; V226-L393 HydrophobicContact CG1-CD1 3.55Å; V226-L393 HydrophobicContact CG1-CD2 4.33Å; V226-L393 HydrophobicContact CG1-CG 3.91Å; V226-Y394 CarbonylContact C-O 3.57Å; V226-Y394 WeakPolarHBondContact CA-O 3.43Å; V226-Y394 WeakPolarHBondContact CG1-O 3.46Å; V226-L399 HydrophobicContact CG2-CD1 4.46Å
227	L	88.3	Confident	85	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	116.1	177.8	176.5	62.7	0	0	0	109.1	I172 F195 P224 I229 I284 Y329 Y394	I172-L227 HydrophobicContact CD1-CD1 3.64Å; I172-L227 HydrophobicContact CG1-CD1 3.89Å; F195-L227 HydrophobicContact CZ-CD1 4.42Å; F195-L227 HydrophobicContact CZ-CD2 4.2Å; P224-L227 HydrophobicContact CG-CB 4.06Å; P224-L227 HydrophobicContact CG-CD1 4.26Å; L227-I229 HydrophobicContact CD1-CG1 4.49Å; L227-I229 HydrophobicContact CD2-CD1 4.16Å; L227-I229 HydrophobicContact CD2-CG1 4.28Å; L227-I229 HydrophobicContact CG-CD1 4.37Å; L227-I229 HydrophobicContact CG-CG1 3.99Å; L227-I284 HydrophobicContact CD2-CD1 3.93Å; L227-Y329 HydrophobicContact CB-CD1 4.3Å; L227-Y329 HydrophobicContact CB-CE1 4.04Å; L227-Y394 PolarHBondContact N-O 3.4Å; L227-Y394 PolarHBondContact O-N 3.45Å
228	S	87.5	Confident	85.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	125	173.6	-175.8	0	0	0	0	109.8	F156 S170 G171 I172 I391 L392	F156-S228 WeakPolarHBondContact O-CB 3.37Å; F156-S228 PolarHBondContact O-OG 3.18Å; S170-S228 PolarHBondContact O-N 3.47Å; G171-S228 CarbonylContact C-O 3.56Å; G171-S228 VanDerWaalsContact CA-O 3.24Å; G171-S228 WeakPolarHBondContact CA-O 3.46Å; I172-S228 PolarHBondContact N-O 3.05Å; S228-I391 VanDerWaalsContact OG-CG2 3.27Å; S228-I391 WeakPolarHBondContact OG-CG2 3.37Å; S228-L392 WeakPolarHBondContact CA-O 3.17Å
229	I	87.3	Confident	85.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	112.3	-177.1	-53	170.4	0	0	0	108.1	I172 L174 F187 L191 L227 I391 L392 Y394	I172-I229 CarbonylContact O-C 3.32Å; I172-I229 WeakPolarHBondContact O-CA 2.87Å; L174-I229 HydrophobicContact CD1-CG2 4.48Å; L174-I229 HydrophobicContact CD2-CG2 3.65Å; L174-I229 HydrophobicContact CG-CG2 3.79Å; F187-I229 HydrophobicContact CE1-CD1 4.45Å; F187-I229 HydrophobicContact CZ-CD1 4.17Å; L191-I229 HydrophobicContact CD1-CD1 3.76Å; L191-I229 HydrophobicContact CD1-CG1 4.17Å; L191-I229 HydrophobicContact CD1-CG2 4.2Å; L191-I229 HydrophobicContact CD2-CD1 3.67Å; L191-I229 HydrophobicContact CG-CD1 4.39Å; L227-I229 HydrophobicContact CD1-CG1 4.49Å; L227-I229 HydrophobicContact CD2-CD1 4.16Å; L227-I229 HydrophobicContact CD2-CG1 4.28Å; L227-I229 HydrophobicContact CG-CD1 4.37Å; L227-I229 HydrophobicContact CG-CG1 3.99Å; I229-I391 CarbonylContact O-C 3.58Å; I229-I391 VanDerWaalsContact O-CA 3.31Å; I229-I391 WeakPolarHBondContact O-CA 3.37Å; I229-L392 HydrophobicContact CB-CB 4.23Å; I229-L392 HydrophobicContact CB-CD1 4.47Å; I229-L392 PolarHBondContact N-O 3.38Å; I229-L392 PolarHBondContact O-N 3.03Å; I229-Y394 HydrophobicContact CD1-CD2 3.75Å; I229-Y394 HydrophobicContact CD1-CE2 3.78Å
230	N	86.8	Confident	86.3	Confident	16 Å²	16	46.5 Å²	46.5	9%	0.086	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	119.3	167.4	171.7	21.7	0	0	0	109.1	F156 I172 N173 L174 N232 C390	F156-N230 HydrophobicContact CD1-CB 4.15Å; F156-N230 HydrophobicContact CE1-CB 4.18Å; I172-N230 PolarHBondContact O-N 3.32Å; N173-N230 PolarHBondContact OD1-ND2 3.02Å; L174-N230 PolarHBondContact N-O 3.49Å; N230-N232 PolarHBondContact O-N 2.89Å; N230-N232 PolarHBondContact OD1-N 3.09Å; N230-C390 CarbonylContact C-O 3.45Å; N230-C390 WeakPolarHBondContact CA-O 3.29Å; N230-C390 PolarHBondContact OD1-O 2.76Å
231	C	88.4	Confident	86.7	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.22	C	C	.	.			trans	-68.2	-16.5	-179.3	-62.7	0	0	0	0	113.9	L174 F176 I233 W242 P389 C390	L174-C231 HydrophobicContact CD1-CB 4.45Å; F176-C231 WeakPolarHBondContact CZ-O 3.32Å; C231-I233 VanDerWaalsContact C-N 3.3Å; C231-I233 HydrophobicContact CB-CD1 4.41Å; C231-I233 HydrophobicContact CB-CG1 4.16Å; C231-I233 PolarHBondContact O-N 3.45Å; C231-I233 VanDerWaalsContact O-N 3.17Å; C231-W242 HydrophobicContact CB-CH2 4.42Å; C231-W242 HydrophobicContact CB-CZ2 3.89Å; C231-P389 WeakPolarHBondContact CB-O 3.46Å; C231-C390 PolarHBondContact N-O 3.13Å
232	N	83.9	Confident	87.1	Confident	33 Å²	33	33 Å²	33	18%	0.176	18%	0.176	C	C	.	.			trans	46.8	44.5	174.8	-156.6	76.7	0	0	0	114.9	F176 N230 D234	F176-N232 HydrophobicContact CE2-CB 4.49Å; N230-N232 PolarHBondContact O-N 2.89Å; N230-N232 PolarHBondContact OD1-N 3.09Å; N232-D234 VanDerWaalsContact C-N 3.31Å; N232-D234 PolarHBondContact ND2-OD2 3.11Å; N232-D234 PolarHBondContact O-N 3.04Å
233	I	86	Confident	87.1	Confident	29 Å²	29	32.8 Å²	32.8	15%	0.149	16%	0.163	C	C	.	.			trans	-83.3	76.8	176.1	-51.2	-179.5	0	0	0	109.2	C231 I238 R239 W242 V388 P389	C231-I233 VanDerWaalsContact C-N 3.3Å; C231-I233 HydrophobicContact CB-CD1 4.41Å; C231-I233 HydrophobicContact CB-CG1 4.16Å; C231-I233 PolarHBondContact O-N 3.45Å; C231-I233 VanDerWaalsContact O-N 3.17Å; I233-I238 HydrophobicContact CB-CG2 4.3Å; I233-I238 HydrophobicContact CG1-CG2 4.1Å; I233-I238 HydrophobicContact CG2-CG2 4.16Å; I233-R239 HydrophobicContact CG2-CB 4.23Å; I233-W242 HydrophobicContact CD1-CD2 3.75Å; I233-W242 HydrophobicContact CD1-CE3 4.47Å; I233-W242 HydrophobicContact CD1-CG 3.81Å; I233-W242 HydrophobicContact CD1-CZ2 4.19Å; I233-V388 HydrophobicContact CB-CG1 4.04Å; I233-V388 HydrophobicContact CD1-CG1 3.93Å; I233-V388 HydrophobicContact CG1-CG1 4.49Å; I233-V388 HydrophobicContact CG2-CG1 4.21Å; I233-P389 HydrophobicContact CD1-CG 3.75Å
234	D	80.4	Confident	87.1	Confident	102 Å²	102	36 Å²	36	55%	0.545	18%	0.175	S	C	.	.			trans	-94.2	-18.7	-176.3	56.7	28.7	0	0	0	114.5	N232	N232-D234 VanDerWaalsContact C-N 3.31Å; N232-D234 PolarHBondContact ND2-OD2 3.11Å; N232-D234 PolarHBondContact O-N 3.04Å
235	N	84.5	Confident	86.9	Confident	59 Å²	59	36.1 Å²	36.1	32%	0.316	18%	0.175	S	C	.	.	S	Bend	trans	-138.5	168.5	-175.5	72.6	71.6	0	0	0	114.2	K237 I238 R239	N235-K237 WeakPolarHBondContact OD1-CA 3.32Å; N235-K237 VanDerWaalsContact OD1-CB 3.28Å; N235-K237 WeakPolarHBondContact OD1-CB 3.39Å; N235-K237 PolarHBondContact OD1-N 2.81Å; N235-I238 WeakPolarHBondContact ND2-CD1 3.48Å; N235-I238 PolarHBondContact O-N 3Å; N235-I238 PolarHBondContact OD1-N 3.08Å; N235-R239 PolarHBondContact O-N 3.44Å
236	D	86.4	Confident	86.6	Confident	101 Å²	101	36.2 Å²	36.2	54%	0.54	17%	0.174	S	C	.	.	H	α-helix	trans	-74.2	-23.2	-174.8	-64.1	-36.3	0	0	0	114.3	R239 S240	D236-R239 IonicContact OD1-CZ 3.68Å; D236-R239 IonicContact OD1-NH1 2.82Å; D236-R239 PolarHBondContact OD1-NH1 3.31Å; D236-R239 IonicContact OD1-NH2 3.04Å; D236-R239 PolarHBondContact OD1-NH2 2.97Å; D236-S240 WeakPolarHBondContact O-CB 3.16Å; D236-S240 PolarHBondContact O-N 2.85Å; D236-S240 PolarHBondContact O-OG 3.34Å
237	K	88.3	Confident	86.1	Confident	123 Å²	123	41.2 Å²	41.2	54%	0.535	20%	0.198	S	C	.	.	H	α-helix	trans	-65.8	-49.7	171.6	-53.3	-173.8	-175.7	-177.5	0	109.9	D178 L181 N235 R239 S240 F241	D178-K237 IonicContact OD1-NZ 3.93Å; D178-K237 PolarHBondContact OD1-NZ 3.18Å; L181-K237 HydrophobicContact CD1-CB 3.88Å; L181-K237 HydrophobicContact CD1-CD 3.95Å; N235-K237 WeakPolarHBondContact OD1-CA 3.32Å; N235-K237 VanDerWaalsContact OD1-CB 3.28Å; N235-K237 WeakPolarHBondContact OD1-CB 3.39Å; N235-K237 PolarHBondContact OD1-N 2.81Å; K237-R239 VanDerWaalsContact C-N 3.33Å; K237-R239 PolarHBondContact O-N 3.13Å; K237-S240 PolarHBondContact O-N 2.82Å; K237-S240 VanDerWaalsContact O-N 3.17Å; K237-F241 PolarHBondContact O-N 3.36Å
238	I	87.2	Confident	85.1	Confident	9 Å²	9	42.8 Å²	42.8	5%	0.046	21%	0.207	C	C	.	.	H	α-helix	trans	-61.8	-42.4	177.2	-62.5	173.4	0	0	0	110.2	F176 L181 I233 N235 S240 F241 W242	F176-I238 HydrophobicContact CB-CG1 4.45Å; F176-I238 HydrophobicContact CD1-CG2 4.32Å; F176-I238 HydrophobicContact CD2-CD1 3.57Å; F176-I238 HydrophobicContact CD2-CG1 4.01Å; F176-I238 HydrophobicContact CD2-CG2 4.2Å; F176-I238 HydrophobicContact CE1-CG2 3.94Å; F176-I238 HydrophobicContact CE2-CD1 3.94Å; F176-I238 HydrophobicContact CE2-CG1 4.42Å; F176-I238 HydrophobicContact CE2-CG2 3.81Å; F176-I238 HydrophobicContact CG-CD1 4.15Å; F176-I238 HydrophobicContact CG-CG1 4.11Å; F176-I238 HydrophobicContact CG-CG2 4.46Å; F176-I238 HydrophobicContact CZ-CG2 3.67Å; L181-I238 HydrophobicContact CD2-CG1 4.32Å; I233-I238 HydrophobicContact CB-CG2 4.3Å; I233-I238 HydrophobicContact CG1-CG2 4.1Å; I233-I238 HydrophobicContact CG2-CG2 4.16Å; N235-I238 WeakPolarHBondContact ND2-CD1 3.48Å; N235-I238 PolarHBondContact O-N 3Å; N235-I238 PolarHBondContact OD1-N 3.08Å; I238-S240 VanDerWaalsContact C-N 3.31Å; I238-S240 PolarHBondContact O-N 2.77Å; I238-F241 WeakPolarHBondContact O-CB 3.48Å; I238-F241 PolarHBondContact O-N 3.15Å; I238-W242 PolarHBondContact O-N 3.26Å
239	R	88.1	Confident	83.9	Confident	56 Å²	56	44 Å²	44	21%	0.211	21%	0.213	C	C	.	.	H	α-helix	trans	-58.4	-43.4	174.8	-165.6	178.6	-55	131.7	23.3	112.1	I233 N235 D236 K237 W242 R243 K339 V384	I233-R239 HydrophobicContact CG2-CB 4.23Å; N235-R239 PolarHBondContact O-N 3.44Å; D236-R239 IonicContact OD1-CZ 3.68Å; D236-R239 IonicContact OD1-NH1 2.82Å; D236-R239 PolarHBondContact OD1-NH1 3.31Å; D236-R239 IonicContact OD1-NH2 3.04Å; D236-R239 PolarHBondContact OD1-NH2 2.97Å; K237-R239 VanDerWaalsContact C-N 3.33Å; K237-R239 PolarHBondContact O-N 3.13Å; R239-W242 PolarHBondContact O-N 3.25Å; R239-R243 PolarHBondContact O-N 2.94Å; R239-K339 VanDerWaalsContact NE-NZ 3.18Å; R239-V384 WeakPolarHBondContact CD-O 3.36Å; R239-V384 HydrophobicContact CG-CB 3.86Å; R239-V384 HydrophobicContact CG-CG2 3.54Å
240	S	89.1	Confident	82.4	Confident	47 Å²	47	48 Å²	48	33%	0.329	23%	0.231	S	C	.	.	H	α-helix	trans	-68.4	-36.1	178.8	-59.4	0	0	0	0	112.7	D236 K237 I238 R244	D236-S240 WeakPolarHBondContact O-CB 3.16Å; D236-S240 PolarHBondContact O-N 2.85Å; D236-S240 PolarHBondContact O-OG 3.34Å; K237-S240 PolarHBondContact O-N 2.82Å; K237-S240 VanDerWaalsContact O-N 3.17Å; I238-S240 VanDerWaalsContact C-N 3.31Å; I238-S240 PolarHBondContact O-N 2.77Å; S240-R244 PolarHBondContact O-N 2.92Å
241	F	91.1	Very high	80.6	Confident	1 Å²	1	51 Å²	51	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-52	170.1	164.4	-89.1	0	0	0	111.5	F176 Q180 L181 I185 L190 K237 I238 R243 R244 Q245 W277	F176-F241 HydrophobicContact CD1-CD1 4.17Å; F176-F241 HydrophobicContact CD1-CE1 4.01Å; F176-F241 AromaticContact CE1-CD1 3.99Å; F176-F241 HydrophobicContact CE1-CD1 3.99Å; F176-F241 AromaticContact CE1-CE1 3.75Å; F176-F241 HydrophobicContact CE1-CE1 3.75Å; Q180-F241 WeakPolarHBondContact O-CE2 3.28Å; L181-F241 HydrophobicContact CD2-CB 3.75Å; L181-F241 HydrophobicContact CD2-CD2 4.17Å; L181-F241 HydrophobicContact CD2-CG 3.95Å; I185-F241 HydrophobicContact CG2-CE2 3.61Å; I185-F241 HydrophobicContact CG2-CZ 3.44Å; I185-F241 VanDerWaalsContact CG2-CZ 3.44Å; L190-F241 HydrophobicContact CD2-CE1 4.13Å; L190-F241 HydrophobicContact CD2-CZ 4.27Å; K237-F241 PolarHBondContact O-N 3.36Å; I238-F241 WeakPolarHBondContact O-CB 3.48Å; I238-F241 PolarHBondContact O-N 3.15Å; F241-R243 VanDerWaalsContact C-N 3.34Å; F241-R243 PolarHBondContact O-N 3.28Å; F241-R244 WeakPolarHBondContact O-CB 3.42Å; F241-R244 PolarHBondContact O-N 3.19Å; F241-R244 VanDerWaalsContact O-N 3.07Å; F241-Q245 HydrophobicContact CD1-CG 4.34Å; F241-Q245 HydrophobicContact CD2-CG 4.31Å; F241-Q245 HydrophobicContact CE1-CG 3.95Å; F241-Q245 HydrophobicContact CE2-CG 3.97Å; F241-Q245 HydrophobicContact CG-CG 4.5Å; F241-Q245 HydrophobicContact CZ-CG 3.77Å; F241-Q245 WeakPolarHBondContact O-CG 3.26Å; F241-Q245 PolarHBondContact O-N 3.01Å; F241-W277 AromaticContact CE1-CH2 3.9Å; F241-W277 HydrophobicContact CE1-CH2 3.9Å; F241-W277 HydrophobicContact CE1-CZ2 4.25Å; F241-W277 HydrophobicContact CZ-CH2 4.31Å; F241-W277 HydrophobicContact CZ-CZ2 4.22Å
242	W	89.9	Confident	78.8	Confident	1 Å²	1	58.1 Å²	58.1	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-56.8	-46.6	178	-87.9	80.8	0	0	0	111.7	L174 F176 C231 I233 I238 R239 R244 Q245 Q246 W277 F382 V384 P389	L174-W242 HydrophobicContact CD1-CZ2 3.86Å; F176-W242 AromaticContact CE1-NE1 3.85Å; F176-W242 AromaticContact CZ-NE1 3.68Å; C231-W242 HydrophobicContact CB-CH2 4.42Å; C231-W242 HydrophobicContact CB-CZ2 3.89Å; I233-W242 HydrophobicContact CD1-CD2 3.75Å; I233-W242 HydrophobicContact CD1-CE3 4.47Å; I233-W242 HydrophobicContact CD1-CG 3.81Å; I233-W242 HydrophobicContact CD1-CZ2 4.19Å; I238-W242 PolarHBondContact O-N 3.26Å; R239-W242 PolarHBondContact O-N 3.25Å; W242-R244 VanDerWaalsContact C-N 3.28Å; W242-R244 PolarHBondContact O-N 3.19Å; W242-Q245 PolarHBondContact O-N 3.35Å; W242-Q246 WeakPolarHBondContact O-CG 3.22Å; W242-Q246 PolarHBondContact O-N 3.17Å; W242-W277 AromaticContact CD2-CZ3 3.98Å; W242-W277 HydrophobicContact CD2-CZ3 3.98Å; W242-W277 HydrophobicContact CE3-CE3 4.14Å; W242-W277 AromaticContact CE3-CZ3 3.78Å; W242-W277 HydrophobicContact CE3-CZ3 3.78Å; W242-W277 HydrophobicContact CH2-CE3 4.5Å; W242-W277 AromaticContact CH2-CZ3 3.82Å; W242-W277 HydrophobicContact CH2-CZ3 3.82Å; W242-W277 HydrophobicContact CZ2-CZ3 4.01Å; W242-W277 HydrophobicContact CZ3-CE3 4.01Å; W242-W277 AromaticContact CZ3-CZ3 3.69Å; W242-W277 HydrophobicContact CZ3-CZ3 3.69Å; W242-F382 HydrophobicContact CE3-CD2 4.34Å; W242-F382 AromaticContact CZ3-CD2 3.83Å; W242-F382 HydrophobicContact CZ3-CD2 3.83Å; W242-F382 HydrophobicContact CZ3-CE2 4.04Å; W242-V384 HydrophobicContact CB-CG1 3.96Å; W242-P389 HydrophobicContact CD2-CG 4.37Å; W242-P389 HydrophobicContact CE3-CG 3.81Å; W242-P389 HydrophobicContact CH2-CB 4.36Å; W242-P389 HydrophobicContact CH2-CG 3.73Å; W242-P389 HydrophobicContact CZ2-CG 4.28Å; W242-P389 HydrophobicContact CZ3-CB 4.37Å; W242-P389 HydrophobicContact CZ3-CG 3.48Å; W242-P389 VanDerWaalsContact CZ3-CG 3.48Å
243	R	87.7	Confident	76.9	Confident	74 Å²	74	61.2 Å²	61.2	28%	0.279	29%	0.293	S	S	.	.	H	α-helix	trans	-56.5	-42.5	176.5	-161.3	-172.5	-63.2	107.5	-7.5	111.5	R239 F241 Q247 V384 D385	R239-R243 PolarHBondContact O-N 2.94Å; F241-R243 VanDerWaalsContact C-N 3.34Å; F241-R243 PolarHBondContact O-N 3.28Å; R243-Q247 VanDerWaalsContact O-CG 3.3Å; R243-Q247 WeakPolarHBondContact O-CG 3.35Å; R243-Q247 PolarHBondContact O-N 3.39Å; R243-Q247 VanDerWaalsContact O-N 3.13Å; R243-V384 HydrophobicContact CB-CG2 3.99Å; R243-D385 IonicContact CZ-OD1 3.69Å; R243-D385 IonicContact CZ-OD2 2.76Å; R243-D385 VanDerWaalsContact CZ-OD2 3.31Å; R243-D385 IonicContact NE-OD2 2.73Å; R243-D385 PolarHBondContact NE-OD2 3.49Å; R243-D385 IonicContact NH2-OD1 2.77Å; R243-D385 PolarHBondContact NH2-OD1 2.98Å; R243-D385 IonicContact NH2-OD2 3.17Å; R243-D385 PolarHBondContact NH2-OD2 3.27Å
244	R	87.1	Confident	74.7	Confident	81 Å²	81	65.9 Å²	65.9	31%	0.306	32%	0.322	S	S	.	.	H	α-helix	trans	-67.5	-46.5	179.2	-163.1	-174.1	-57.1	129.6	10.2	112.5	L181 L182 S240 F241 W242 Q246 Q247 V248	L181-R244 PolarHBondContact O-NH1 3.32Å; L182-R244 VanDerWaalsContact C-NH1 3.34Å; L182-R244 VanDerWaalsContact CA-NH1 3.3Å; L182-R244 PolarHBondContact O-NH1 2.99Å; S240-R244 PolarHBondContact O-N 2.92Å; F241-R244 WeakPolarHBondContact O-CB 3.42Å; F241-R244 PolarHBondContact O-N 3.19Å; F241-R244 VanDerWaalsContact O-N 3.07Å; W242-R244 VanDerWaalsContact C-N 3.28Å; W242-R244 PolarHBondContact O-N 3.19Å; R244-Q246 VanDerWaalsContact C-N 3.26Å; R244-Q246 PolarHBondContact O-N 2.75Å; R244-Q247 PolarHBondContact O-N 2.61Å; R244-V248 HydrophobicContact CG-CG2 4.48Å; R244-V248 VanDerWaalsContact O-CG2 3.3Å; R244-V248 WeakPolarHBondContact O-CG2 3.06Å; R244-V248 PolarHBondContact O-N 3.46Å; R244-V248 VanDerWaalsContact O-N 3.08Å
245	Q	86.3	Confident	73	Confident	5 Å²	5	65.6 Å²	65.6	2%	0.023	33%	0.328	C	S	.	.	H	α-helix	trans	-60.4	-37.7	-179.1	-59.9	-48.4	-28.3	0	0	111.9	E183 I185 F241 W242 M249 W277	E183-Q245 PolarHBondContact O-NE2 2.97Å; I185-Q245 PolarHBondContact O-OE1 2.9Å; F241-Q245 HydrophobicContact CD1-CG 4.34Å; F241-Q245 HydrophobicContact CD2-CG 4.31Å; F241-Q245 HydrophobicContact CE1-CG 3.95Å; F241-Q245 HydrophobicContact CE2-CG 3.97Å; F241-Q245 HydrophobicContact CG-CG 4.5Å; F241-Q245 HydrophobicContact CZ-CG 3.77Å; F241-Q245 WeakPolarHBondContact O-CG 3.26Å; F241-Q245 PolarHBondContact O-N 3.01Å; W242-Q245 PolarHBondContact O-N 3.35Å; Q245-M249 WeakPolarHBondContact O-CG 3.39Å; Q245-W277 HydrophobicContact CB-CD2 3.76Å; Q245-W277 HydrophobicContact CB-CE3 4.35Å; Q245-W277 HydrophobicContact CB-CG 3.94Å; Q245-W277 HydrophobicContact CB-CZ2 4.1Å; Q245-W277 HydrophobicContact CG-CD2 4.4Å; Q245-W277 HydrophobicContact CG-CH2 4.38Å; Q245-W277 HydrophobicContact CG-CZ2 3.81Å
246	Q	79	Confident	71	Confident	18 Å²	18	67 Å²	67	8%	0.084	34%	0.339	C	S	.	.	H	α-helix	trans	-69.2	-47	176.1	-64.3	-178.5	-80.7	0	0	112.5	W242 R244 V248 M249 F250 F382	W242-Q246 WeakPolarHBondContact O-CG 3.22Å; W242-Q246 PolarHBondContact O-N 3.17Å; R244-Q246 VanDerWaalsContact C-N 3.26Å; R244-Q246 PolarHBondContact O-N 2.75Å; Q246-V248 VanDerWaalsContact C-N 3.3Å; Q246-V248 PolarHBondContact O-N 2.67Å; Q246-M249 WeakPolarHBondContact O-CB 3.46Å; Q246-M249 PolarHBondContact O-N 3.12Å; Q246-M249 VanDerWaalsContact O-N 3.11Å; Q246-F250 WeakPolarHBondContact O-CD2 3.29Å; Q246-F250 PolarHBondContact O-N 2.83Å; Q246-F382 PolarHBondContact NE2-O 2.78Å; Q246-F382 PolarHBondContact OE1-O 3.02Å
247	Q	74.5	Confident	68.5	Low	111 Å²	111	64.8 Å²	64.8	52%	0.519	34%	0.341	S	S	.	.	H	α-helix	trans	-56.9	-42.2	178.6	-76.5	173	-14.2	0	0	112.6	R243 R244 M249 F250 S251	R243-Q247 VanDerWaalsContact O-CG 3.3Å; R243-Q247 WeakPolarHBondContact O-CG 3.35Å; R243-Q247 PolarHBondContact O-N 3.39Å; R243-Q247 VanDerWaalsContact O-N 3.13Å; R244-Q247 PolarHBondContact O-N 2.61Å; Q247-M249 PolarHBondContact O-N 3.27Å; Q247-F250 PolarHBondContact O-N 2.95Å; Q247-S251 PolarHBondContact O-N 3.38Å; Q247-S251 PolarHBondContact O-OG 2.82Å
248	V	68.6	Low	65.7	Low	33 Å²	33	64.2 Å²	64.2	20%	0.2	34%	0.343	C	S	.	.	H	α-helix	trans	-59.2	-32	179.1	168.9	0	0	0	0	112.5	K184 R244 Q246	K184-V248 HydrophobicContact CD-CG1 3.9Å; K184-V248 HydrophobicContact CD-CG2 4.26Å; K184-V248 HydrophobicContact CG-CG1 4.35Å; K184-V248 HydrophobicContact CG-CG2 4.29Å; R244-V248 HydrophobicContact CG-CG2 4.48Å; R244-V248 VanDerWaalsContact O-CG2 3.3Å; R244-V248 WeakPolarHBondContact O-CG2 3.06Å; R244-V248 PolarHBondContact O-N 3.46Å; R244-V248 VanDerWaalsContact O-N 3.08Å; Q246-V248 VanDerWaalsContact C-N 3.3Å; Q246-V248 PolarHBondContact O-N 2.67Å
249	M	61.5	Low	63.3	Low	24 Å²	24	71.3 Å²	71.3	12%	0.118	38%	0.381	C	S	.	.	H	α-helix	trans	-77.4	-30.2	177.5	-61.9	-77.1	-79.6	0	0	112.1	Q245 Q246 Q247 R274 S276 W277	Q245-M249 WeakPolarHBondContact O-CG 3.39Å; Q246-M249 WeakPolarHBondContact O-CB 3.46Å; Q246-M249 PolarHBondContact O-N 3.12Å; Q246-M249 VanDerWaalsContact O-N 3.11Å; Q247-M249 PolarHBondContact O-N 3.27Å; M249-R274 HydrophobicContact CE-CB 3.51Å; M249-R274 HydrophobicContact CE-CG 3.75Å; M249-S276 WeakPolarHBondContact CE-O 2.98Å; M249-W277 HydrophobicContact CG-CB 4.2Å
250	F	54.9	Low	60.6	Low	86 Å²	86	77.9 Å²	77.9	38%	0.377	41%	0.414	S	S	.	.	H	α-helix	trans	-72.2	-40.9	170.6	-79.1	-80.7	0	0	0	112.4	Q246 Q247 K252 R253	Q246-F250 WeakPolarHBondContact O-CD2 3.29Å; Q246-F250 PolarHBondContact O-N 2.83Å; Q247-F250 PolarHBondContact O-N 2.95Å; F250-K252 PolarHBondContact O-N 3.26Å; F250-R253 WeakPolarHBondContact O-CB 3.09Å; F250-R253 PolarHBondContact O-N 2.88Å
251	S	49.7	Very low	58	Low	77 Å²	77	81.9 Å²	81.9	54%	0.538	43%	0.432	S	S	.	.	H	α-helix	trans	-62.1	-27.9	-179.1	-58.3	0	0	0	0	113.9	Q247 R253 V254 S255	Q247-S251 PolarHBondContact O-N 3.38Å; Q247-S251 PolarHBondContact O-OG 2.82Å; S251-R253 PolarHBondContact O-N 3.14Å; S251-V254 PolarHBondContact O-N 3.44Å; S251-S255 PolarHBondContact O-OG 2.91Å
252	K	50.7	Low	55.3	Low	151 Å²	151	87 Å²	87	66%	0.657	45%	0.454	S	S	*	.	H	α-helix	trans	-65.4	-19.8	172.2	-79.7	-169	172.3	-170.2	0	114	F250	F250-K252 PolarHBondContact O-N 3.26Å
253	R	44.2	Very low	52.6	Low	97 Å²	97	95.9 Å²	95.9	37%	0.366	50%	0.495	S	S	.	.	H	α-helix	trans	-79.4	-36.9	178	-54.8	-175	-169.9	-178.9	3.9	112.7	F250 S251 T256 L275	F250-R253 WeakPolarHBondContact O-CB 3.09Å; F250-R253 PolarHBondContact O-N 2.88Å; S251-R253 PolarHBondContact O-N 3.14Å; R253-T256 PolarHBondContact O-OG1 3.48Å; R253-T256 VanDerWaalsContact O-OG1 3.09Å; R253-L275 PolarHBondContact NH2-O 3.04Å
254	V	40.3	Very low	49.8	Very low	127 Å²	127	101.2 Å²	101.2	77%	0.77	52%	0.521	S	S	*	.	H	α-helix	trans	-79.8	-23.2	-174	-174.3	0	0	0	0	112	S251	S251-V254 PolarHBondContact O-N 3.44Å
255	S	44.4	Very low	46.9	Very low	96 Å²	96	104.3 Å²	104.3	67%	0.671	54%	0.543	S	S	*	.	S	Bend	trans	-80.3	-13.7	179.6	29.9	0	0	0	0	113.8	S251 G257	S251-S255 PolarHBondContact O-OG 2.91Å; S255-G257 VanDerWaalsContact C-N 3.34Å; S255-G257 PolarHBondContact O-N 3.15Å
256	T	42	Very low	44.3	Very low	88 Å²	88	110.5 Å²	110.5	54%	0.54	57%	0.574	S	S	.	*	S	Bend	trans	-94.8	57.5	169.9	50.9	0	0	0	0	110.9	R253 N258	R253-T256 PolarHBondContact O-OG1 3.48Å; R253-T256 VanDerWaalsContact O-OG1 3.09Å; T256-N258 PolarHBondContact O-N 2.87Å
257	G	33	Very low	42.1	Very low	56 Å²	56	116.6 Å²	116.6	58%	0.577	61%	0.607	S	S	*	*			trans	-74.9	101.9	177.3	0	0	0	0	0	111.7	S255	S255-G257 VanDerWaalsContact C-N 3.34Å; S255-G257 PolarHBondContact O-N 3.15Å
258	N	31.2	Very low	40.2	Very low	110 Å²	110	112.1 Å²	112.1	59%	0.588	59%	0.589	S	S	*	*			trans	-160	72.3	163.8	-115	-1.9	0	0	0	108.9	T256 E260 L261	T256-N258 PolarHBondContact O-N 2.87Å; N258-E260 PolarHBondContact O-N 3.14Å; N258-E260 VanDerWaalsContact O-N 3.08Å; N258-L261 PolarHBondContact O-N 3.47Å
259	D	35.8	Very low	38.7	Very low	158 Å²	158	112.4 Å²	112.4	85%	0.845	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-0.6	-167.2	-72	-44.4	0	0	0	115.5
260	E	32.1	Very low	37.4	Very low	194 Å²	194	117.2 Å²	117.2	91%	0.907	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.6	-9.2	179	-65.7	-169.6	152.7	0	0	114.9	N258	N258-E260 PolarHBondContact O-N 3.14Å; N258-E260 VanDerWaalsContact O-N 3.08Å
261	L	34.2	Very low	36.5	Very low	132 Å²	132	116.2 Å²	116.2	69%	0.691	62%	0.62	S	S	*	*	S	Bend	trans	-99.1	-4.4	177.6	-99.9	154.7	0	0	0	113.6	N258	N258-L261 PolarHBondContact O-N 3.47Å
262	F	34.8	Very low	36	Very low	109 Å²	109	116 Å²	116	48%	0.478	61%	0.609	S	S	.	*	S	Bend	trans	-80.5	-20.9	-170.9	-121.9	-95.4	0	0	0	115	V271	F262-V271 HydrophobicContact CE1-CG1 3.83Å; F262-V271 HydrophobicContact CZ-CG1 4.47Å
263	E	31.7	Very low	35.5	Very low	186 Å²	186	109.8 Å²	109.8	87%	0.869	59%	0.588	S	S	*	*	S	Bend	trans	-84.7	-23.3	-173.9	-70.2	-163.4	141.5	0	0	115.2
264	K	29	Very low	36.1	Very low	187 Å²	187	110.9 Å²	110.9	81%	0.813	59%	0.592	S	S	*	*	S	Bend	trans	-104.9	-14.6	-162.9	-77.9	-179.5	177.6	170.1	0	117.2
265	N	26.4	Very low	37.2	Very low	145 Å²	145	107.3 Å²	107.3	78%	0.775	57%	0.568	S	S	*	*	S	Bend	trans	-148.9	52.1	-169	-88.6	-35.8	0	0	0	115.3
266	M	33.2	Very low	38.8	Very low	136 Å²	136	103.7 Å²	103.7	67%	0.67	54%	0.543	S	S	*	.			trans	-140.4	129.7	167.7	-77.4	-156	160.8	0	0	115.5	V271	M266-V271 HydrophobicContact CB-CG2 4.15Å; M266-V271 HydrophobicContact CG-CG2 4.43Å; M266-V271 HydrophobicContact SD-CG2 3.44Å; M266-V271 WeakPolarHBondContact SD-CG2 3.49Å
267	N	32.1	Very low	40.8	Very low	145 Å²	145	100.1 Å²	100.1	78%	0.775	52%	0.52	S	S	*	.			trans	-65.6	134	170.5	-82.1	-39.5	0	0	0	111.2	S269	N267-S269 PolarHBondContact O-N 2.73Å
268	A	35.1	Very low	43.5	Very low	17 Å²	17	97.6 Å²	97.6	14%	0.14	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-8.9	-168.3	0	0	0	0	0	117.3	F305	A268-F305 HydrophobicContact CB-CD2 4.32Å; A268-F305 HydrophobicContact CB-CE2 3.6Å; A268-F305 HydrophobicContact CB-CZ 4.45Å
269	S	36.3	Very low	46.2	Very low	39 Å²	39	92.7 Å²	92.7	27%	0.273	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-33.4	-170.9	49.3	0	0	0	0	114.5	N267	N267-S269 PolarHBondContact O-N 2.73Å
270	N	33.7	Very low	48.6	Very low	126 Å²	126	88 Å²	88	67%	0.674	44%	0.439	S	S	*	.	S	Bend	trans	-98.5	-18.8	-164.4	-70.2	17.5	0	0	0	115
271	V	37.1	Very low	51.2	Low	65 Å²	65	79.8 Å²	79.8	39%	0.394	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-31.4	-167	178.8	0	0	0	0	113.6	F262 M266 G273	F262-V271 HydrophobicContact CE1-CG1 3.83Å; F262-V271 HydrophobicContact CZ-CG1 4.47Å; M266-V271 HydrophobicContact CB-CG2 4.15Å; M266-V271 HydrophobicContact CG-CG2 4.43Å; M266-V271 HydrophobicContact SD-CG2 3.44Å; M266-V271 WeakPolarHBondContact SD-CG2 3.49Å; V271-G273 PolarHBondContact O-N 2.83Å
272	F	38.6	Very low	53.8	Low	71 Å²	71	73.5 Å²	73.5	31%	0.311	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-1.2	-179.6	-79.6	-90.8	0	0	0	114.1	R274 L275 F303 W310	F272-R274 PolarHBondContact O-N 2.82Å; F272-L275 HydrophobicContact CD1-CD1 3.42Å; F272-L275 VanDerWaalsContact CD1-CD1 3.42Å; F272-L275 HydrophobicContact CD1-CG 3.94Å; F272-L275 HydrophobicContact CE1-CD1 3.77Å; F272-L275 PolarHBondContact O-N 3.41Å; F272-F303 HydrophobicContact CE2-CD1 4.47Å; F272-W310 HydrophobicContact CB-CH2 3.41Å; F272-W310 VanDerWaalsContact CB-CH2 3.41Å; F272-W310 HydrophobicContact CB-CZ2 3.76Å; F272-W310 HydrophobicContact CD1-CH2 4Å; F272-W310 AromaticContact CD1-CZ2 3.54Å; F272-W310 HydrophobicContact CD1-CZ2 3.54Å; F272-W310 AromaticContact CD2-CH2 3.59Å; F272-W310 HydrophobicContact CD2-CH2 3.59Å; F272-W310 AromaticContact CD2-CZ2 3.91Å; F272-W310 HydrophobicContact CD2-CZ2 3.91Å; F272-W310 HydrophobicContact CE1-CZ2 4.08Å; F272-W310 HydrophobicContact CE2-CH2 4.34Å; F272-W310 HydrophobicContact CE2-CZ2 4.39Å; F272-W310 AromaticContact CG-CH2 3.39Å; F272-W310 HydrophobicContact CG-CH2 3.39Å; F272-W310 AromaticContact CG-CZ2 3.45Å; F272-W310 HydrophobicContact CG-CZ2 3.45Å; F272-W310 VanDerWaalsContact CG-CZ2 3.45Å; F272-W310 HydrophobicContact CZ-CZ2 4.48Å
273	G	40.3	Very low	56.4	Low	21 Å²	21	71.3 Å²	71.3	22%	0.216	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.7	-156.6	0	0	0	0	0	116.6	V271 V298	V271-G273 PolarHBondContact O-N 2.83Å; G273-V298 VanDerWaalsContact CA-CG1 3.47Å
274	R	56.4	Low	59.3	Low	121 Å²	121	62.4 Å²	62.4	46%	0.457	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.4	51.2	175.7	-87.6	-170.8	176.1	-156.3	-6.6	113.3	E188 M249 F272 S276	E188-R274 IonicContact OE1-NH2 3.31Å; E188-R274 IonicContact OE2-CZ 2.63Å; E188-R274 IonicContact OE2-NH2 2.73Å; E188-R274 PolarHBondContact OE2-NH2 2.88Å; M249-R274 HydrophobicContact CE-CB 3.51Å; M249-R274 HydrophobicContact CE-CG 3.75Å; F272-R274 PolarHBondContact O-N 2.82Å; R274-S276 VanDerWaalsContact C-N 3.26Å; R274-S276 PolarHBondContact O-N 3.08Å
275	L	64.2	Low	62.2	Low	52 Å²	52	57.7 Å²	57.7	27%	0.272	30%	0.298	S	S	.	.	S	Bend	trans	-67.7	-21.9	171.1	-70.8	-159.3	0	0	0	114.1	R253 F272 L377	R253-L275 PolarHBondContact NH2-O 3.04Å; F272-L275 HydrophobicContact CD1-CD1 3.42Å; F272-L275 VanDerWaalsContact CD1-CD1 3.42Å; F272-L275 HydrophobicContact CD1-CG 3.94Å; F272-L275 HydrophobicContact CE1-CD1 3.77Å; F272-L275 PolarHBondContact O-N 3.41Å; L275-L377 HydrophobicContact CB-CD1 3.85Å; L275-L377 HydrophobicContact CB-CD2 4.42Å; L275-L377 HydrophobicContact CD1-CD2 4.01Å
276	S	77.1	Confident	65.3	Low	19 Å²	19	51.4 Å²	51.4	13%	0.133	26%	0.264	C	S	.	.	S	Bend	trans	-129.6	155.1	176.4	-175.4	0	0	0	0	110.8	M249 R274 L278 V380	M249-S276 WeakPolarHBondContact CE-O 2.98Å; R274-S276 VanDerWaalsContact C-N 3.26Å; R274-S276 PolarHBondContact O-N 3.08Å; S276-L278 VanDerWaalsContact C-N 3.34Å; S276-L278 PolarHBondContact OG-N 3.48Å; S276-L278 VanDerWaalsContact OG-N 3.15Å; S276-L278 PolarHBondContact OG-O 3.27Å; S276-V380 WeakPolarHBondContact OG-CG2 3.47Å; S276-V380 PolarHBondContact OG-O 3.14Å
277	W	85.1	Confident	67.8	Low	14 Å²	14	46.6 Å²	46.6	5%	0.053	24%	0.241	C	C	.	.	S	Bend	trans	-74.2	-26.1	167.8	-176.5	69.3	0	0	0	112.6	I185 F187 L190 F241 W242 Q245 M249 P279	I185-W277 PolarHBondContact O-NE1 3.35Å; F187-W277 HydrophobicContact CB-CD2 4.28Å; F187-W277 HydrophobicContact CB-CZ2 4.23Å; F187-W277 VanDerWaalsContact CB-O 3.27Å; F187-W277 WeakPolarHBondContact CB-O 3.45Å; F187-W277 HydrophobicContact CD2-CE3 4.34Å; F187-W277 HydrophobicContact CD2-CH2 4.05Å; F187-W277 AromaticContact CD2-CZ3 3.92Å; F187-W277 HydrophobicContact CD2-CZ3 3.92Å; L190-W277 HydrophobicContact CD2-CH2 3.67Å; L190-W277 HydrophobicContact CD2-CZ2 4.21Å; F241-W277 AromaticContact CE1-CH2 3.9Å; F241-W277 HydrophobicContact CE1-CH2 3.9Å; F241-W277 HydrophobicContact CE1-CZ2 4.25Å; F241-W277 HydrophobicContact CZ-CH2 4.31Å; F241-W277 HydrophobicContact CZ-CZ2 4.22Å; W242-W277 AromaticContact CD2-CZ3 3.98Å; W242-W277 HydrophobicContact CD2-CZ3 3.98Å; W242-W277 HydrophobicContact CE3-CE3 4.14Å; W242-W277 AromaticContact CE3-CZ3 3.78Å; W242-W277 HydrophobicContact CE3-CZ3 3.78Å; W242-W277 HydrophobicContact CH2-CE3 4.5Å; W242-W277 AromaticContact CH2-CZ3 3.82Å; W242-W277 HydrophobicContact CH2-CZ3 3.82Å; W242-W277 HydrophobicContact CZ2-CZ3 4.01Å; W242-W277 HydrophobicContact CZ3-CE3 4.01Å; W242-W277 AromaticContact CZ3-CZ3 3.69Å; W242-W277 HydrophobicContact CZ3-CZ3 3.69Å; Q245-W277 HydrophobicContact CB-CD2 3.76Å; Q245-W277 HydrophobicContact CB-CE3 4.35Å; Q245-W277 HydrophobicContact CB-CG 3.94Å; Q245-W277 HydrophobicContact CB-CZ2 4.1Å; Q245-W277 HydrophobicContact CG-CD2 4.4Å; Q245-W277 HydrophobicContact CG-CH2 4.38Å; Q245-W277 HydrophobicContact CG-CZ2 3.81Å; M249-W277 HydrophobicContact CG-CB 4.2Å; W277-P279 WeakPolarHBondContact O-CD 3.32Å
278	L	89.6	Confident	70.3	Confident	3 Å²	3	45 Å²	45	2%	0.016	24%	0.242	C	C	.	.	S	Bend	trans	-92.3	117	175.6	178.9	70	0	0	0	110	F187 S276 L331 V380 F382 L392 Y394	F187-L278 HydrophobicContact CD1-CD1 3.96Å; F187-L278 HydrophobicContact CD2-CD1 3.81Å; F187-L278 HydrophobicContact CE1-CD1 3.71Å; F187-L278 HydrophobicContact CE2-CD1 3.56Å; F187-L278 HydrophobicContact CG-CD1 4.01Å; F187-L278 HydrophobicContact CZ-CD1 3.51Å; S276-L278 VanDerWaalsContact C-N 3.34Å; S276-L278 PolarHBondContact OG-N 3.48Å; S276-L278 VanDerWaalsContact OG-N 3.15Å; S276-L278 PolarHBondContact OG-O 3.27Å; L278-L331 HydrophobicContact CD2-CD2 4.18Å; L278-V380 HydrophobicContact CB-CB 4.33Å; L278-V380 HydrophobicContact CD2-CB 4.09Å; L278-V380 HydrophobicContact CD2-CG1 3.94Å; L278-V380 HydrophobicContact CG-CG1 4.47Å; L278-F382 HydrophobicContact CD2-CE2 3.94Å; L278-F382 HydrophobicContact CD2-CZ 4.03Å; L278-L392 HydrophobicContact CD1-CD1 3.55Å; L278-L392 HydrophobicContact CD2-CD1 4.18Å; L278-L392 HydrophobicContact CD2-CD2 3.72Å; L278-Y394 WeakPolarHBondContact CD1-OH 3.23Å
279	P	88	Confident	72.7	Confident	6 Å²	6	49.1 Å²	49.1	4%	0.039	26%	0.261	C	S	.	.			trans	-76	143.8	180	31.1	-37.2	0	0	0	112.3	F187 W277 N281 L282 D296 Y394	F187-P279 HydrophobicContact CD1-CG 3.87Å; W277-P279 WeakPolarHBondContact O-CD 3.32Å; P279-N281 VanDerWaalsContact C-N 3.33Å; P279-L282 HydrophobicContact CB-CD2 4.4Å; P279-L282 HydrophobicContact CG-CD2 3.52Å; P279-L282 HydrophobicContact CG-CG 4.41Å; P279-D296 HydrophobicContact CB-CB 3.95Å; P279-D296 VanDerWaalsContact CB-CG 3.46Å; P279-D296 VanDerWaalsContact CB-OD1 3.28Å; P279-D296 WeakPolarHBondContact CB-OD1 3.42Å; P279-Y394 PolarHBondContact O-OH 2.91Å
280	F	86.2	Confident	74.9	Confident	59 Å²	59	47.7 Å²	47.7	26%	0.259	25%	0.253	S	S	.	.	S	Bend	trans	-74.4	-25.7	173.4	-70.2	-81.5	0	0	0	112.9	L331 W363 P376 V380	F280-L331 HydrophobicContact CD1-CD2 4.22Å; F280-L331 WeakPolarHBondContact O-CB 3.43Å; F280-L331 PolarHBondContact O-N 3.08Å; F280-W363 HydrophobicContact CD1-CH2 4.49Å; F280-W363 AromaticContact CD1-CZ2 3.83Å; F280-W363 HydrophobicContact CD1-CZ2 3.83Å; F280-W363 HydrophobicContact CE1-CH2 4.38Å; F280-W363 AromaticContact CE1-CZ2 3.79Å; F280-W363 HydrophobicContact CE1-CZ2 3.79Å; F280-P376 HydrophobicContact CE1-CB 3.84Å; F280-P376 HydrophobicContact CZ-CB 3.66Å; F280-P376 WeakPolarHBondContact CZ-O 3.4Å; F280-V380 HydrophobicContact CD1-CG1 4.12Å; F280-V380 HydrophobicContact CE1-CB 4.5Å; F280-V380 HydrophobicContact CE1-CG1 3.48Å; F280-V380 VanDerWaalsContact CE1-CG1 3.48Å; F280-V380 HydrophobicContact CE1-CG2 4.18Å; F280-V380 HydrophobicContact CE2-CG1 4.42Å; F280-V380 HydrophobicContact CE2-CG2 3.89Å; F280-V380 HydrophobicContact CZ-CB 4.21Å; F280-V380 HydrophobicContact CZ-CG1 3.66Å; F280-V380 HydrophobicContact CZ-CG2 3.45Å; F280-V380 VanDerWaalsContact CZ-CG2 3.45Å
281	N	86.1	Confident	77.4	Confident	22 Å²	22	46.1 Å²	46.1	12%	0.118	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.2	-173.4	-56.3	-69.4	0	0	0	110.3	P279 R297 F301 Y329	P279-N281 VanDerWaalsContact C-N 3.33Å; N281-R297 PolarHBondContact O-N 2.95Å; N281-F301 WeakPolarHBondContact ND2-CD2 3.39Å; N281-F301 WeakPolarHBondContact ND2-CE2 3.4Å; N281-F301 WeakPolarHBondContact OD1-CE2 3.49Å; N281-Y329 WeakPolarHBondContact CA-O 3.34Å
282	L	89	Confident	80	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.7	175.6	-63.7	172.9	0	0	0	109.1	L191 P279 I284 I294 F328 Y329 Y394	L191-L282 HydrophobicContact CD2-CD1 3.71Å; P279-L282 HydrophobicContact CB-CD2 4.4Å; P279-L282 HydrophobicContact CG-CD2 3.52Å; P279-L282 HydrophobicContact CG-CG 4.41Å; L282-I284 HydrophobicContact CB-CG1 4.19Å; L282-I294 HydrophobicContact CD2-CG2 3.82Å; L282-F328 CarbonylContact O-C 3.57Å; L282-F328 WeakPolarHBondContact O-CA 3.35Å; L282-Y329 PolarHBondContact N-O 3.41Å; L282-Y329 PolarHBondContact O-N 2.96Å; L282-Y394 HydrophobicContact CD1-CD1 3.9Å; L282-Y394 HydrophobicContact CD1-CD2 4.28Å; L282-Y394 HydrophobicContact CD1-CE1 3.67Å; L282-Y394 HydrophobicContact CD1-CE2 4.07Å; L282-Y394 HydrophobicContact CD1-CG 4.2Å; L282-Y394 HydrophobicContact CG-CD1 4.2Å; L282-Y394 HydrophobicContact CG-CE1 3.77Å
283	Q	89.7	Confident	82.4	Confident	63 Å²	63	41.9 Å²	41.9	29%	0.294	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.9	160.7	-176.8	173.1	2.4	0	0	107.3	I294 C295 R297 V326 F328	Q283-I294 WeakPolarHBondContact O-CA 3.27Å; Q283-C295 HydrophobicContact CB-CB 4.5Å; Q283-C295 PolarHBondContact N-O 3.29Å; Q283-C295 PolarHBondContact O-N 3.11Å; Q283-R297 HydrophobicContact CB-CB 4.42Å; Q283-V326 HydrophobicContact CG-CG1 3.86Å; Q283-F328 HydrophobicContact CB-CD1 4Å; Q283-F328 HydrophobicContact CB-CE1 3.9Å; Q283-F328 HydrophobicContact CG-CD1 4.02Å; Q283-F328 HydrophobicContact CG-CE1 3.58Å; Q283-F328 HydrophobicContact CG-CZ 4.13Å
284	I	91.6	Very high	84.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123.5	-178.6	-53.8	-172.8	0	0	0	108.5	F195 L223 L227 L282 V292 A293 I294 V326 V327 Y329	F195-I284 HydrophobicContact CE2-CD1 4.42Å; F195-I284 HydrophobicContact CZ-CD1 4.23Å; L223-I284 HydrophobicContact CD1-CB 4.22Å; L223-I284 HydrophobicContact CD1-CG2 3.93Å; L223-I284 HydrophobicContact CD2-CB 4.28Å; L223-I284 HydrophobicContact CD2-CG2 3.51Å; L223-I284 HydrophobicContact CG-CG2 4.4Å; L227-I284 HydrophobicContact CD2-CD1 3.93Å; L282-I284 HydrophobicContact CB-CG1 4.19Å; I284-V292 HydrophobicContact CG2-CG1 3.37Å; I284-A293 WeakPolarHBondContact CA-O 3.2Å; I284-I294 HydrophobicContact CD1-CD1 4.47Å; I284-I294 HydrophobicContact CG1-CG1 4.33Å; I284-I294 HydrophobicContact CG1-CG2 4.3Å; I284-I294 HydrophobicContact CG2-CG1 4.29Å; I284-V326 WeakPolarHBondContact O-CA 3.46Å; I284-V327 PolarHBondContact N-O 3.13Å; I284-V327 PolarHBondContact O-N 3.47Å; I284-Y329 HydrophobicContact CB-CD2 4.43Å; I284-Y329 HydrophobicContact CB-CE2 4.15Å; I284-Y329 HydrophobicContact CD1-CD2 3.74Å; I284-Y329 HydrophobicContact CD1-CE2 3.68Å; I284-Y329 HydrophobicContact CG1-CD2 3.93Å; I284-Y329 HydrophobicContact CG1-CE2 4.02Å
285	F	90.5	Very high	86.3	Confident	87 Å²	87	39.2 Å²	39.2	38%	0.382	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	138.2	170.4	174.8	-113.7	0	0	0	109.8	D287 V292 A293 N325 V326	F285-D287 HydrophobicContact CE1-CB 3.83Å; F285-D287 HydrophobicContact CZ-CB 4.18Å; F285-V292 CarbonylContact O-C 3.58Å; F285-V292 VanDerWaalsContact O-CA 3.27Å; F285-V292 WeakPolarHBondContact O-CA 3.38Å; F285-A293 HydrophobicContact CB-CB 4.41Å; F285-A293 HydrophobicContact CD1-CB 4.42Å; F285-A293 PolarHBondContact N-O 3.3Å; F285-A293 PolarHBondContact O-N 3.14Å; F285-N325 CarbonylContact C-O 3.54Å; F285-N325 VanDerWaalsContact CA-O 3.3Å; F285-N325 WeakPolarHBondContact CA-O 3.39Å; F285-N325 HydrophobicContact CD2-CB 3.95Å; F285-N325 HydrophobicContact CE2-CB 3.68Å; F285-V326 HydrophobicContact CB-CG2 4.49Å; F285-V326 HydrophobicContact CD2-CG2 3.64Å; F285-V326 HydrophobicContact CE2-CG2 4.38Å
286	L	90.7	Very high	87	Confident	13 Å²	13	38.5 Å²	38.5	7%	0.068	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	112.8	174.6	173.9	59.5	0	0	0	109.1	I220 L223 G290 K291 V292 N325	I220-L286 HydrophobicContact CD1-CD1 3.95Å; I220-L286 HydrophobicContact CD1-CD2 3.95Å; I220-L286 HydrophobicContact CD1-CG 4.47Å; I220-L286 HydrophobicContact CG1-CD1 3.71Å; I220-L286 HydrophobicContact CG1-CD2 4.12Å; L223-L286 HydrophobicContact CD1-CB 3.85Å; L223-L286 HydrophobicContact CG-CB 4.03Å; L223-L286 HydrophobicContact CG-CD2 4.15Å; L286-G290 WeakPolarHBondContact CD1-O 3.44Å; L286-K291 CarbonylContact C-O 3.56Å; L286-K291 WeakPolarHBondContact CA-O 3.43Å; L286-V292 HydrophobicContact CD1-CG2 4.17Å; L286-N325 PolarHBondContact N-O 3.14Å; L286-N325 WeakPolarHBondContact O-CB 3.45Å; L286-N325 VanDerWaalsContact O-CG 3.24Å; L286-N325 PolarHBondContact O-ND2 3.46Å; L286-N325 VanDerWaalsContact O-ND2 3.1Å
287	D	87.1	Confident	86.7	Confident	35 Å²	35	40.8 Å²	40.8	19%	0.187	22%	0.221	C	C	.	.			trans	-75.7	173.9	177.8	82	5.5	0	0	0	112.6	F285 D289 G290 K291	F285-D287 HydrophobicContact CE1-CB 3.83Å; F285-D287 HydrophobicContact CZ-CB 4.18Å; D287-D289 PolarHBondContact O-N 2.82Å; D287-D289 WeakPolarHBondContact OD1-CA 3.33Å; D287-D289 WeakPolarHBondContact OD1-CB 3.21Å; D287-D289 PolarHBondContact OD1-N 2.9Å; D287-G290 PolarHBondContact O-N 3.45Å; D287-G290 PolarHBondContact OD1-N 3.08Å; D287-K291 PolarHBondContact N-O 3.15Å; D287-K291 PolarHBondContact OD1-N 3.48Å; D287-K291 WeakPolarHBondContact OD2-CB 3.42Å; D287-K291 WeakPolarHBondContact OD2-CG 3.28Å; D287-K291 IonicContact OD2-NZ 2.73Å; D287-K291 PolarHBondContact OD2-NZ 2.91Å
288	S	84.9	Confident	85.6	Confident	113 Å²	113	42.5 Å²	42.5	79%	0.79	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-22.9	177.8	50.7	0	0	0	0	114.3	G290	S288-G290 VanDerWaalsContact C-N 3.29Å
289	D	83.5	Confident	84	Confident	103 Å²	103	47.1 Å²	47.1	55%	0.551	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-6.3	179.3	-57.6	-15.1	0	0	0	111.7	D287 K291	D287-D289 PolarHBondContact O-N 2.82Å; D287-D289 WeakPolarHBondContact OD1-CA 3.33Å; D287-D289 WeakPolarHBondContact OD1-CB 3.21Å; D287-D289 PolarHBondContact OD1-N 2.9Å; D289-K291 HydrophobicContact CB-CG 4.41Å; D289-K291 IonicContact OD2-NZ 3.87Å; D289-K291 PolarHBondContact OD2-NZ 3.16Å
290	G	83.3	Confident	82.3	Confident	9 Å²	9	47.3 Å²	47.3	9%	0.093	26%	0.26	C	S	.	.	S	Bend	trans	90.4	4.6	-176.4	0	0	0	0	0	114.5	H196 L286 D287 S288	H196-G290 PolarHBondContact NE2-O 2.85Å; L286-G290 WeakPolarHBondContact CD1-O 3.44Å; D287-G290 PolarHBondContact O-N 3.45Å; D287-G290 PolarHBondContact OD1-N 3.08Å; S288-G290 VanDerWaalsContact C-N 3.29Å
291	K	87.1	Confident	80.6	Confident	92 Å²	92	45.3 Å²	45.3	40%	0.4	25%	0.251	S	S	.	.			trans	-70.9	143.5	175.7	-49.8	-173.4	-155.2	79.8	0	110	W219 L286 D287 D289	W219-K291 HydrophobicContact CZ3-CG 4.01Å; L286-K291 CarbonylContact C-O 3.56Å; L286-K291 WeakPolarHBondContact CA-O 3.43Å; D287-K291 PolarHBondContact N-O 3.15Å; D287-K291 PolarHBondContact OD1-N 3.48Å; D287-K291 WeakPolarHBondContact OD2-CB 3.42Å; D287-K291 WeakPolarHBondContact OD2-CG 3.28Å; D287-K291 IonicContact OD2-NZ 2.73Å; D287-K291 PolarHBondContact OD2-NZ 2.91Å; D289-K291 HydrophobicContact CB-CG 4.41Å; D289-K291 IonicContact OD2-NZ 3.87Å; D289-K291 PolarHBondContact OD2-NZ 3.16Å
292	V	90.5	Very high	79.2	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.03	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.2	177.8	-173.8	0	0	0	0	109.3	E192 F195 H196 I220 I284 F285 L286 I294	E192-V292 WeakPolarHBondContact CG-O 3.48Å; F195-V292 HydrophobicContact CB-CB 4.31Å; F195-V292 HydrophobicContact CB-CG2 3.96Å; F195-V292 HydrophobicContact CD1-CG2 3.88Å; F195-V292 HydrophobicContact CD2-CB 4.36Å; F195-V292 HydrophobicContact CD2-CG1 4Å; F195-V292 HydrophobicContact CD2-CG2 4.4Å; F195-V292 HydrophobicContact CE1-CG2 4.46Å; F195-V292 HydrophobicContact CE2-CG1 4.16Å; F195-V292 HydrophobicContact CG-CB 4.23Å; F195-V292 HydrophobicContact CG-CG1 4.28Å; F195-V292 HydrophobicContact CG-CG2 3.84Å; H196-V292 PolarHBondContact CE1-N 2.86Å; H196-V292 VanDerWaalsContact CE1-N 3.33Å; I220-V292 HydrophobicContact CD1-CG2 3.71Å; I220-V292 HydrophobicContact CG1-CG2 3.94Å; I284-V292 HydrophobicContact CG2-CG1 3.37Å; F285-V292 CarbonylContact O-C 3.58Å; F285-V292 VanDerWaalsContact O-CA 3.27Å; F285-V292 WeakPolarHBondContact O-CA 3.38Å; L286-V292 HydrophobicContact CD1-CG2 4.17Å; V292-I294 HydrophobicContact CG1-CD1 4.14Å; V292-I294 HydrophobicContact CG1-CG1 3.79Å
293	A	90.1	Very high	77.5	Confident	43 Å²	43	52.7 Å²	52.7	36%	0.355	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.1	165.1	0	0	0	0	0	109.1	I284 F285	I284-A293 WeakPolarHBondContact CA-O 3.2Å; F285-A293 HydrophobicContact CB-CB 4.41Å; F285-A293 HydrophobicContact CD1-CB 4.42Å; F285-A293 PolarHBondContact N-O 3.3Å; F285-A293 PolarHBondContact O-N 3.14Å
294	I	91	Very high	76.1	Confident	13 Å²	13	51.1 Å²	51.1	7%	0.067	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131.1	-172.4	-51.6	-174.2	0	0	0	110.3	E188 L191 E192 F195 L282 Q283 I284 V292	E188-I294 HydrophobicContact CB-CB 4.12Å; E188-I294 HydrophobicContact CB-CG2 3.88Å; E188-I294 WeakPolarHBondContact CB-O 3.4Å; E188-I294 HydrophobicContact CG-CG2 4.35Å; L191-I294 HydrophobicContact CB-CD1 3.93Å; L191-I294 HydrophobicContact CD2-CD1 3.77Å; L191-I294 HydrophobicContact CG-CD1 3.58Å; E192-I294 HydrophobicContact CB-CD1 4.18Å; E192-I294 HydrophobicContact CB-CG1 4.2Å; E192-I294 HydrophobicContact CG-CG1 4.44Å; F195-I294 HydrophobicContact CD2-CD1 3.93Å; F195-I294 HydrophobicContact CE2-CD1 3.65Å; L282-I294 HydrophobicContact CD2-CG2 3.82Å; Q283-I294 WeakPolarHBondContact O-CA 3.27Å; I284-I294 HydrophobicContact CD1-CD1 4.47Å; I284-I294 HydrophobicContact CG1-CG1 4.33Å; I284-I294 HydrophobicContact CG1-CG2 4.3Å; I284-I294 HydrophobicContact CG2-CG1 4.29Å; V292-I294 HydrophobicContact CG1-CD1 4.14Å; V292-I294 HydrophobicContact CG1-CG1 3.79Å
295	C	86.3	Confident	74.4	Confident	73 Å²	73	56.3 Å²	56.3	49%	0.493	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.6	175.2	-63.4	0	0	0	0	111	Q283	Q283-C295 HydrophobicContact CB-CB 4.5Å; Q283-C295 PolarHBondContact N-O 3.29Å; Q283-C295 PolarHBondContact O-N 3.11Å
296	D	80.4	Confident	72.7	Confident	37 Å²	37	59.3 Å²	59.3	20%	0.198	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	126.1	164.7	175.2	19.1	0	0	0	108.5	E188 P279	E188-D296 HydrophobicContact CG-CB 3.98Å; P279-D296 HydrophobicContact CB-CB 3.95Å; P279-D296 VanDerWaalsContact CB-CG 3.46Å; P279-D296 VanDerWaalsContact CB-OD1 3.28Å; P279-D296 WeakPolarHBondContact CB-OD1 3.42Å
297	R	69.9	Low	70.7	Confident	67 Å²	67	62.4 Å²	62.4	25%	0.253	33%	0.331	S	S	.	.			trans	-111	71.3	-170.3	-158	-99.6	-125.7	-110.8	-11.6	110.7	N281 Q283 D299 A300 F328	N281-R297 PolarHBondContact O-N 2.95Å; Q283-R297 HydrophobicContact CB-CB 4.42Å; R297-D299 VanDerWaalsContact C-N 3.28Å; R297-D299 PolarHBondContact O-N 3.42Å; R297-A300 PolarHBondContact O-N 2.96Å; R297-F328 HydrophobicContact CG-CE1 4.38Å; R297-F328 VanDerWaalsContact NE-CE1 3.33Å; R297-F328 VanDerWaalsContact NH2-CE1 3.32Å; R297-F328 VanDerWaalsContact NH2-CZ 3.35Å
298	V	62.5	Low	69	Low	49 Å²	49	68.9 Å²	68.9	30%	0.297	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-52.9	-43.7	-177.6	-175.1	0	0	0	0	112.2	G273 A300	G273-V298 VanDerWaalsContact CA-CG1 3.47Å; V298-A300 PolarHBondContact O-N 3.42Å
299	D	54.8	Low	67.2	Low	100 Å²	100	64.2 Å²	64.2	54%	0.535	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-68.2	-6.5	-170.5	-37.3	-34.1	0	0	0	114.4	R297 F301	R297-D299 VanDerWaalsContact C-N 3.28Å; R297-D299 PolarHBondContact O-N 3.42Å; D299-F301 PolarHBondContact O-N 3.02Å
300	A	52.9	Low	65.7	Low	10 Å²	10	62.4 Å²	62.4	8%	0.083	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-68	-11.1	178.6	0	0	0	0	0	114.2	R297 V298 L312 Q313	R297-A300 PolarHBondContact O-N 2.96Å; V298-A300 PolarHBondContact O-N 3.42Å; A300-L312 HydrophobicContact CB-CD1 4.38Å; A300-L312 CarbonylContact O-C 3.55Å; A300-L312 WeakPolarHBondContact O-CA 3.49Å; A300-Q313 PolarHBondContact O-N 3.48Å
301	F	50.9	Low	64.2	Low	17 Å²	17	64.1 Å²	64.1	8%	0.075	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.9	-176.6	-69.8	-100.4	0	0	0	113.2	N281 D299 W310 L311 L312 E330	N281-F301 WeakPolarHBondContact ND2-CD2 3.39Å; N281-F301 WeakPolarHBondContact ND2-CE2 3.4Å; N281-F301 WeakPolarHBondContact OD1-CE2 3.49Å; D299-F301 PolarHBondContact O-N 3.02Å; F301-W310 HydrophobicContact CB-CE3 3.77Å; F301-W310 HydrophobicContact CB-CZ3 4.45Å; F301-W310 HydrophobicContact CD1-CB 3.95Å; F301-L311 CarbonylContact C-O 3.56Å; F301-L311 VanDerWaalsContact CA-O 3.24Å; F301-L311 WeakPolarHBondContact CA-O 3.34Å; F301-L312 HydrophobicContact CD1-CB 4.21Å; F301-L312 HydrophobicContact CD1-CD1 4.49Å; F301-L312 HydrophobicContact CD2-CD1 4.19Å; F301-L312 HydrophobicContact CE1-CB 3.77Å; F301-L312 HydrophobicContact CE1-CD1 3.87Å; F301-L312 HydrophobicContact CE1-CG 4.45Å; F301-L312 HydrophobicContact CE2-CD1 3.47Å; F301-L312 VanDerWaalsContact CE2-CD1 3.47Å; F301-L312 HydrophobicContact CZ-CB 4.11Å; F301-L312 HydrophobicContact CZ-CD1 3.31Å; F301-L312 HydrophobicContact CZ-CG 4.32Å; F301-E330 WeakPolarHBondContact CZ-OE1 3.43Å
302	R	56.8	Low	62.4	Low	159 Å²	159	62.5 Å²	62.5	60%	0.6	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	134.6	166.8	-179.1	174	174.9	168.5	-0.3	108.6	L311 Q313	R302-L311 PolarHBondContact N-O 3.29Å; R302-L311 PolarHBondContact O-N 2.85Å; R302-Q313 HydrophobicContact CB-CG 4.12Å
303	F	54.1	Low	60.7	Low	19 Å²	19	65.7 Å²	65.7	8%	0.083	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	126.6	166.9	-161.3	-116.7	0	0	0	109.9	F272 F305 F308 T309 W310	F272-F303 HydrophobicContact CE2-CD1 4.47Å; F303-F305 AromaticContact CD1-CD1 3.59Å; F303-F305 HydrophobicContact CD1-CD1 3.59Å; F303-F305 HydrophobicContact CD1-CD2 4.26Å; F303-F305 AromaticContact CD1-CE1 3.68Å; F303-F305 HydrophobicContact CD1-CE1 3.68Å; F303-F305 HydrophobicContact CD1-CE2 4.35Å; F303-F305 AromaticContact CD1-CG 3.89Å; F303-F305 HydrophobicContact CD1-CG 3.89Å; F303-F305 HydrophobicContact CD1-CZ 4.08Å; F303-F305 AromaticContact CE1-CD1 3.72Å; F303-F305 HydrophobicContact CE1-CD1 3.72Å; F303-F305 HydrophobicContact CE1-CE1 4.01Å; F303-F305 HydrophobicContact CE1-CG 4.29Å; F303-F308 HydrophobicContact CE1-CD1 4.36Å; F303-F308 HydrophobicContact CZ-CB 4.25Å; F303-F308 HydrophobicContact CZ-CD1 4.08Å; F303-F308 HydrophobicContact CZ-CG 4.45Å; F303-T309 WeakPolarHBondContact CD2-O 3.27Å; F303-W310 HydrophobicContact CB-CD2 4.5Å; F303-W310 HydrophobicContact CB-CE3 4.04Å; F303-W310 HydrophobicContact CB-CH2 3.69Å; F303-W310 HydrophobicContact CB-CZ2 4.16Å; F303-W310 HydrophobicContact CB-CZ3 3.65Å; F303-W310 AromaticContact CD2-CD2 3.69Å; F303-W310 HydrophobicContact CD2-CD2 3.69Å; F303-W310 AromaticContact CD2-CE2 3.41Å; F303-W310 VanDerWaalsContact CD2-CE2 3.41Å; F303-W310 HydrophobicContact CD2-CE3 4.09Å; F303-W310 HydrophobicContact CD2-CG 4.13Å; F303-W310 HydrophobicContact CD2-CH2 4.01Å; F303-W310 AromaticContact CD2-CZ2 3.57Å; F303-W310 HydrophobicContact CD2-CZ2 3.57Å; F303-W310 HydrophobicContact CD2-CZ3 4.28Å; F303-W310 AromaticContact CD2-NE1 3.71Å; F303-W310 HydrophobicContact CE2-CD2 4.49Å; F303-W310 AromaticContact CE2-CE2 3.98Å; F303-W310 HydrophobicContact CE2-CZ2 4.27Å; F303-W310 AromaticContact CE2-NE1 3.81Å; F303-W310 HydrophobicContact CG-CH2 4.15Å; F303-W310 HydrophobicContact CG-CZ2 4.11Å; F303-W310 HydrophobicContact CG-CZ3 4.42Å
304	D	58.3	Low	58.6	Low	29 Å²	29	69 Å²	69	16%	0.155	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	98.1	169.1	175.3	9.3	0	0	0	108.5	N306 N307 F308 T309 L311	D304-N306 PolarHBondContact O-N 3.39Å; D304-N306 WeakPolarHBondContact OD1-CB 3.46Å; D304-N306 PolarHBondContact OD1-N 3.04Å; D304-N306 VanDerWaalsContact OD1-N 3.07Å; D304-N307 CarbonylContact O-C 3.59Å; D304-N307 PolarHBondContact O-N 2.94Å; D304-N307 WeakPolarHBondContact OD2-CB 3.4Å; D304-N307 PolarHBondContact OD2-ND2 3.12Å; D304-F308 WeakPolarHBondContact O-CA 3.43Å; D304-F308 PolarHBondContact O-N 3.47Å; D304-T309 HydrophobicContact CB-CG2 4.13Å; D304-T309 PolarHBondContact N-O 3.24Å; D304-T309 PolarHBondContact O-N 3.47Å; D304-L311 HydrophobicContact CB-CD1 3.75Å; D304-L311 HydrophobicContact CB-CG 3.92Å
305	F	57.7	Low	56.7	Low	110 Å²	110	74.2 Å²	74.2	48%	0.482	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-29.1	178.7	-73.2	-77.2	0	0	0	113.2	A268 F303 N307 F308	A268-F305 HydrophobicContact CB-CD2 4.32Å; A268-F305 HydrophobicContact CB-CE2 3.6Å; A268-F305 HydrophobicContact CB-CZ 4.45Å; F303-F305 AromaticContact CD1-CD1 3.59Å; F303-F305 HydrophobicContact CD1-CD1 3.59Å; F303-F305 HydrophobicContact CD1-CD2 4.26Å; F303-F305 AromaticContact CD1-CE1 3.68Å; F303-F305 HydrophobicContact CD1-CE1 3.68Å; F303-F305 HydrophobicContact CD1-CE2 4.35Å; F303-F305 AromaticContact CD1-CG 3.89Å; F303-F305 HydrophobicContact CD1-CG 3.89Å; F303-F305 HydrophobicContact CD1-CZ 4.08Å; F303-F305 AromaticContact CE1-CD1 3.72Å; F303-F305 HydrophobicContact CE1-CD1 3.72Å; F303-F305 HydrophobicContact CE1-CE1 4.01Å; F303-F305 HydrophobicContact CE1-CG 4.29Å; F305-N307 VanDerWaalsContact C-N 3.26Å; F305-N307 PolarHBondContact O-N 2.81Å; F305-F308 WeakPolarHBondContact O-CD2 3.5Å
306	N	54.4	Low	54.5	Low	150 Å²	150	77.4 Å²	77.4	80%	0.802	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-25.3	-178.5	-63.2	-24.3	0	0	0	112	D304	D304-N306 PolarHBondContact O-N 3.39Å; D304-N306 WeakPolarHBondContact OD1-CB 3.46Å; D304-N306 PolarHBondContact OD1-N 3.04Å; D304-N306 VanDerWaalsContact OD1-N 3.07Å
307	N	48.1	Very low	52.5	Low	77 Å²	77	77.9 Å²	77.9	41%	0.412	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	8.2	-177.8	-66.5	-71.2	0	0	0	113.4	D304 F305 T309 R360	D304-N307 CarbonylContact O-C 3.59Å; D304-N307 PolarHBondContact O-N 2.94Å; D304-N307 WeakPolarHBondContact OD2-CB 3.4Å; D304-N307 PolarHBondContact OD2-ND2 3.12Å; F305-N307 VanDerWaalsContact C-N 3.26Å; F305-N307 PolarHBondContact O-N 2.81Å; N307-T309 HydrophobicContact CB-CG2 3.84Å; N307-T309 PolarHBondContact O-N 3.49Å; N307-R360 PolarHBondContact ND2-NH2 2.75Å; N307-R360 PolarHBondContact OD1-NH2 3.39Å
308	F	52.6	Low	50.8	Low	171 Å²	171	79.9 Å²	79.9	75%	0.75	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.5	45.4	-175.3	-79	-97.9	0	0	0	113.6	F303 D304 F305	F303-F308 HydrophobicContact CE1-CD1 4.36Å; F303-F308 HydrophobicContact CZ-CB 4.25Å; F303-F308 HydrophobicContact CZ-CD1 4.08Å; F303-F308 HydrophobicContact CZ-CG 4.45Å; D304-F308 WeakPolarHBondContact O-CA 3.43Å; D304-F308 PolarHBondContact O-N 3.47Å; F305-F308 WeakPolarHBondContact O-CD2 3.5Å
309	T	45.3	Very low	49.8	Very low	16 Å²	16	82.8 Å²	82.8	10%	0.098	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	154.2	-170.3	-159.9	0	0	0	0	113.5	F303 D304 N307 L311 R360	F303-T309 WeakPolarHBondContact CD2-O 3.27Å; D304-T309 HydrophobicContact CB-CG2 4.13Å; D304-T309 PolarHBondContact N-O 3.24Å; D304-T309 PolarHBondContact O-N 3.47Å; N307-T309 HydrophobicContact CB-CG2 3.84Å; N307-T309 PolarHBondContact O-N 3.49Å; T309-L311 HydrophobicContact CG2-CD2 3.96Å; T309-R360 HydrophobicContact CG2-CG 4Å
310	W	52.4	Low	48.9	Very low	64 Å²	64	83.8 Å²	83.8	24%	0.242	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	116	178.3	-70.8	99.1	0	0	0	110.5	F272 F301 F303	F272-W310 HydrophobicContact CB-CH2 3.41Å; F272-W310 VanDerWaalsContact CB-CH2 3.41Å; F272-W310 HydrophobicContact CB-CZ2 3.76Å; F272-W310 HydrophobicContact CD1-CH2 4Å; F272-W310 AromaticContact CD1-CZ2 3.54Å; F272-W310 HydrophobicContact CD1-CZ2 3.54Å; F272-W310 AromaticContact CD2-CH2 3.59Å; F272-W310 HydrophobicContact CD2-CH2 3.59Å; F272-W310 AromaticContact CD2-CZ2 3.91Å; F272-W310 HydrophobicContact CD2-CZ2 3.91Å; F272-W310 HydrophobicContact CE1-CZ2 4.08Å; F272-W310 HydrophobicContact CE2-CH2 4.34Å; F272-W310 HydrophobicContact CE2-CZ2 4.39Å; F272-W310 AromaticContact CG-CH2 3.39Å; F272-W310 HydrophobicContact CG-CH2 3.39Å; F272-W310 AromaticContact CG-CZ2 3.45Å; F272-W310 HydrophobicContact CG-CZ2 3.45Å; F272-W310 VanDerWaalsContact CG-CZ2 3.45Å; F272-W310 HydrophobicContact CZ-CZ2 4.48Å; F301-W310 HydrophobicContact CB-CE3 3.77Å; F301-W310 HydrophobicContact CB-CZ3 4.45Å; F301-W310 HydrophobicContact CD1-CB 3.95Å; F303-W310 HydrophobicContact CB-CD2 4.5Å; F303-W310 HydrophobicContact CB-CE3 4.04Å; F303-W310 HydrophobicContact CB-CH2 3.69Å; F303-W310 HydrophobicContact CB-CZ2 4.16Å; F303-W310 HydrophobicContact CB-CZ3 3.65Å; F303-W310 AromaticContact CD2-CD2 3.69Å; F303-W310 HydrophobicContact CD2-CD2 3.69Å; F303-W310 AromaticContact CD2-CE2 3.41Å; F303-W310 VanDerWaalsContact CD2-CE2 3.41Å; F303-W310 HydrophobicContact CD2-CE3 4.09Å; F303-W310 HydrophobicContact CD2-CG 4.13Å; F303-W310 HydrophobicContact CD2-CH2 4.01Å; F303-W310 AromaticContact CD2-CZ2 3.57Å; F303-W310 HydrophobicContact CD2-CZ2 3.57Å; F303-W310 HydrophobicContact CD2-CZ3 4.28Å; F303-W310 AromaticContact CD2-NE1 3.71Å; F303-W310 HydrophobicContact CE2-CD2 4.49Å; F303-W310 AromaticContact CE2-CE2 3.98Å; F303-W310 HydrophobicContact CE2-CZ2 4.27Å; F303-W310 AromaticContact CE2-NE1 3.81Å; F303-W310 HydrophobicContact CG-CH2 4.15Å; F303-W310 HydrophobicContact CG-CZ2 4.11Å; F303-W310 HydrophobicContact CG-CZ3 4.42Å
311	L	51.3	Low	48.2	Very low	46 Å²	46	89.5 Å²	89.5	24%	0.241	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	124.1	176.5	-57.4	-176.6	0	0	0	109.8	F301 R302 D304 T309 Q313 I358	F301-L311 CarbonylContact C-O 3.56Å; F301-L311 VanDerWaalsContact CA-O 3.24Å; F301-L311 WeakPolarHBondContact CA-O 3.34Å; R302-L311 PolarHBondContact N-O 3.29Å; R302-L311 PolarHBondContact O-N 2.85Å; D304-L311 HydrophobicContact CB-CD1 3.75Å; D304-L311 HydrophobicContact CB-CG 3.92Å; T309-L311 HydrophobicContact CG2-CD2 3.96Å; L311-Q313 PolarHBondContact O-N 2.99Å; L311-I358 HydrophobicContact CD2-CG2 3.48Å; L311-I358 VanDerWaalsContact CD2-CG2 3.48Å; L311-I358 WeakPolarHBondContact CD2-O 3.39Å
312	L	49.9	Very low	47.7	Very low	58 Å²	58	94.9 Å²	94.9	30%	0.304	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	119.2	172.3	-175.7	81.3	0	0	0	108.8	A300 F301	A300-L312 HydrophobicContact CB-CD1 4.38Å; A300-L312 CarbonylContact O-C 3.55Å; A300-L312 WeakPolarHBondContact O-CA 3.49Å; F301-L312 HydrophobicContact CD1-CB 4.21Å; F301-L312 HydrophobicContact CD1-CD1 4.49Å; F301-L312 HydrophobicContact CD2-CD1 4.19Å; F301-L312 HydrophobicContact CE1-CB 3.77Å; F301-L312 HydrophobicContact CE1-CD1 3.87Å; F301-L312 HydrophobicContact CE1-CG 4.45Å; F301-L312 HydrophobicContact CE2-CD1 3.47Å; F301-L312 VanDerWaalsContact CE2-CD1 3.47Å; F301-L312 HydrophobicContact CZ-CB 4.11Å; F301-L312 HydrophobicContact CZ-CD1 3.31Å; F301-L312 HydrophobicContact CZ-CG 4.32Å
313	Q	55	Low	47.4	Very low	72 Å²	72	91.1 Å²	91.1	34%	0.336	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-67.6	134.4	172	-61.7	-156.3	28.7	0	0	109.3	A300 R302 L311	A300-Q313 PolarHBondContact O-N 3.48Å; R302-Q313 HydrophobicContact CB-CG 4.12Å; L311-Q313 PolarHBondContact O-N 2.99Å
314	P	45.8	Very low	47.7	Very low	111 Å²	111	95.4 Å²	95.4	72%	0.721	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-56.2	150.4	166.1	-17.3	29.2	0	0	0	109.8	V316	P314-V316 PolarHBondContact O-N 3.31Å
315	K	51.6	Low	48.8	Very low	123 Å²	123	96.4 Å²	96.4	54%	0.535	54%	0.541	S	S	.	.			trans	-56.7	110.7	169.3	-81.6	-167.8	173.9	-164.7	0	108.8	G317	K315-G317 PolarHBondContact O-N 3.08Å
316	V	39.2	Very low	50.1	Low	140 Å²	140	93.5 Å²	93.5	85%	0.848	53%	0.532	S	S	*	.			trans	-79.6	100.1	165.2	-178.3	0	0	0	0	106.5	P314	P314-V316 PolarHBondContact O-N 3.31Å
317	G	38	Very low	51.6	Low	48 Å²	48	86.9 Å²	86.9	50%	0.495	50%	0.497	S	S	.	.	S	Bend	trans	135.8	131.8	-179.7	0	0	0	0	0	112.8	K315 D319	K315-G317 PolarHBondContact O-N 3.08Å; G317-D319 PolarHBondContact O-N 2.94Å
318	S	35.6	Very low	53.5	Low	109 Å²	109	85.5 Å²	85.5	76%	0.762	49%	0.488	S	S	*	.			trans	-75.8	63	169.6	55.2	0	0	0	0	110.8	T320	S318-T320 PolarHBondContact O-N 3.11Å; S318-T320 PolarHBondContact O-OG1 3.27Å
319	D	40.2	Very low	55.2	Low	110 Å²	110	77.5 Å²	77.5	59%	0.588	45%	0.453	S	S	*	.			trans	-73.4	70	165.4	-76.5	-14.3	0	0	0	109	G317	G317-D319 PolarHBondContact O-N 2.94Å
320	T	36.4	Very low	57.1	Low	120 Å²	120	77.7 Å²	77.7	74%	0.736	45%	0.453	S	S	*	.			trans	-75	-3.6	158.7	42.2	0	0	0	0	111.8	S318 T322	S318-T320 PolarHBondContact O-N 3.11Å; S318-T320 PolarHBondContact O-OG1 3.27Å; T320-T322 PolarHBondContact O-N 2.76Å
321	D	38.4	Very low	58.8	Low	131 Å²	131	74.7 Å²	74.7	70%	0.701	44%	0.441	S	S	*	.			trans	-68.5	77	160.6	-90.9	5	0	0	0	109.9	T323	D321-T323 PolarHBondContact O-N 2.77Å
322	T	41.5	Very low	60.4	Low	130 Å²	130	73.2 Å²	73.2	80%	0.798	43%	0.433	S	S	*	.			trans	-67.6	64.9	155.3	51.8	0	0	0	0	109.2	T320 S324	T320-T322 PolarHBondContact O-N 2.76Å; T322-S324 PolarHBondContact O-N 2.86Å; T322-S324 VanDerWaalsContact O-N 3.12Å
323	T	49.6	Very low	62.2	Low	80 Å²	80	70.6 Å²	70.6	49%	0.491	42%	0.42	S	S	.	.			trans	-60.2	115	151.6	54	0	0	0	0	105.2	D321 N325 V326	D321-T323 PolarHBondContact O-N 2.77Å; T323-N325 PolarHBondContact O-N 2.74Å; T323-V326 PolarHBondContact O-N 2.73Å
324	S	61.1	Low	63.9	Low	109 Å²	109	67.2 Å²	67.2	76%	0.762	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	0.2	-173.1	46.1	0	0	0	0	115.1	T322	T322-S324 PolarHBondContact O-N 2.86Å; T322-S324 VanDerWaalsContact O-N 3.12Å
325	N	79.9	Confident	65.8	Low	49 Å²	49	62 Å²	62	26%	0.262	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-20.8	-159.2	-69.7	23.4	0	0	0	111.7	F285 L286 T323	F285-N325 CarbonylContact C-O 3.54Å; F285-N325 VanDerWaalsContact CA-O 3.3Å; F285-N325 WeakPolarHBondContact CA-O 3.39Å; F285-N325 HydrophobicContact CD2-CB 3.95Å; F285-N325 HydrophobicContact CE2-CB 3.68Å; L286-N325 PolarHBondContact N-O 3.14Å; L286-N325 WeakPolarHBondContact O-CB 3.45Å; L286-N325 VanDerWaalsContact O-CG 3.24Å; L286-N325 PolarHBondContact O-ND2 3.46Å; L286-N325 VanDerWaalsContact O-ND2 3.1Å; T323-N325 PolarHBondContact O-N 2.74Å
326	V	85.1	Confident	67.6	Low	49 Å²	49	56.1 Å²	56.1	30%	0.297	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	125.4	176.2	-177.5	0	0	0	0	110.3	Q283 I284 F285 T323 F328	Q283-V326 HydrophobicContact CG-CG1 3.86Å; I284-V326 WeakPolarHBondContact O-CA 3.46Å; F285-V326 HydrophobicContact CB-CG2 4.49Å; F285-V326 HydrophobicContact CD2-CG2 3.64Å; F285-V326 HydrophobicContact CE2-CG2 4.38Å; T323-V326 PolarHBondContact O-N 2.73Å; V326-F328 HydrophobicContact CG1-CE2 4.43Å; V326-F328 HydrophobicContact CG1-CZ 4.42Å
327	V	87.4	Confident	69.9	Low	11 Å²	11	51.2 Å²	51.2	7%	0.067	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	133.7	178.9	-179.2	0	0	0	0	110.5	L223 I284 Y329 R396	L223-V327 HydrophobicContact CB-CB 4.42Å; L223-V327 HydrophobicContact CB-CG2 3.92Å; L223-V327 HydrophobicContact CD1-CB 3.9Å; L223-V327 HydrophobicContact CD1-CG2 3.65Å; L223-V327 HydrophobicContact CG-CG2 4.44Å; I284-V327 PolarHBondContact N-O 3.13Å; I284-V327 PolarHBondContact O-N 3.47Å; V327-Y329 HydrophobicContact CB-CD2 4.5Å; V327-Y329 HydrophobicContact CB-CE2 3.85Å; V327-Y329 HydrophobicContact CG1-CD2 3.96Å; V327-Y329 HydrophobicContact CG1-CE1 4.4Å; V327-Y329 HydrophobicContact CG1-CE2 3.41Å; V327-Y329 VanDerWaalsContact CG1-CE2 3.41Å; V327-R396 HydrophobicContact CG1-CG 3.63Å
328	F	86.7	Confident	72.4	Confident	48 Å²	48	49 Å²	49	21%	0.211	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	139.6	171.4	-62.1	-80.5	0	0	0	110.4	L282 Q283 R297 V326 R396 P397	L282-F328 CarbonylContact O-C 3.57Å; L282-F328 WeakPolarHBondContact O-CA 3.35Å; Q283-F328 HydrophobicContact CB-CD1 4Å; Q283-F328 HydrophobicContact CB-CE1 3.9Å; Q283-F328 HydrophobicContact CG-CD1 4.02Å; Q283-F328 HydrophobicContact CG-CE1 3.58Å; Q283-F328 HydrophobicContact CG-CZ 4.13Å; R297-F328 HydrophobicContact CG-CE1 4.38Å; R297-F328 VanDerWaalsContact NE-CE1 3.33Å; R297-F328 VanDerWaalsContact NH2-CE1 3.32Å; R297-F328 VanDerWaalsContact NH2-CZ 3.35Å; V326-F328 HydrophobicContact CG1-CE2 4.43Å; V326-F328 HydrophobicContact CG1-CZ 4.42Å; F328-R396 WeakPolarHBondContact O-CA 3.32Å; F328-P397 HydrophobicContact CB-CG 4.39Å; F328-P397 WeakPolarHBondContact O-CD 3.36Å
329	Y	88.1	Confident	74.8	Confident	3 Å²	3	46.3 Å²	46.3	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	148	174.3	-66.5	-93.6	0	0	0	111	L223 P224 L227 N281 L282 I284 V327 S395 R396	L223-Y329 WeakPolarHBondContact CB-OH 3.38Å; P224-Y329 WeakPolarHBondContact CD-OH 3.41Å; P224-Y329 HydrophobicContact CG-CE1 4.46Å; P224-Y329 PolarHBondContact O-OH 3.25Å; L227-Y329 HydrophobicContact CB-CD1 4.3Å; L227-Y329 HydrophobicContact CB-CE1 4.04Å; N281-Y329 WeakPolarHBondContact CA-O 3.34Å; L282-Y329 PolarHBondContact N-O 3.41Å; L282-Y329 PolarHBondContact O-N 2.96Å; I284-Y329 HydrophobicContact CB-CD2 4.43Å; I284-Y329 HydrophobicContact CB-CE2 4.15Å; I284-Y329 HydrophobicContact CD1-CD2 3.74Å; I284-Y329 HydrophobicContact CD1-CE2 3.68Å; I284-Y329 HydrophobicContact CG1-CD2 3.93Å; I284-Y329 HydrophobicContact CG1-CE2 4.02Å; V327-Y329 HydrophobicContact CB-CD2 4.5Å; V327-Y329 HydrophobicContact CB-CE2 3.85Å; V327-Y329 HydrophobicContact CG1-CD2 3.96Å; V327-Y329 HydrophobicContact CG1-CE1 4.4Å; V327-Y329 HydrophobicContact CG1-CE2 3.41Å; V327-Y329 VanDerWaalsContact CG1-CE2 3.41Å; Y329-S395 WeakPolarHBondContact CA-O 3.22Å; Y329-R396 HydrophobicContact CD1-CG 4.24Å; Y329-R396 HydrophobicContact CE1-CG 3.98Å
330	E	86.1	Confident	76.7	Confident	21 Å²	21	43.2 Å²	43.2	10%	0.098	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.5	178.4	-179.9	-175.3	-115.6	0	0	109.8	F301 Q332 K351 Y394 S395	F301-E330 WeakPolarHBondContact CZ-OE1 3.43Å; E330-Q332 PolarHBondContact O-N 2.7Å; E330-Q332 PolarHBondContact O-NE2 2.9Å; E330-Q332 VanDerWaalsContact O-NE2 3.14Å; E330-Q332 PolarHBondContact OE2-NE2 2.75Å; E330-K351 IonicContact OE1-NZ 2.9Å; E330-K351 PolarHBondContact OE1-NZ 3.31Å; E330-K351 IonicContact OE2-NZ 2.67Å; E330-K351 PolarHBondContact OE2-NZ 3.12Å; E330-Y394 WeakPolarHBondContact O-CA 3.46Å; E330-S395 PolarHBondContact N-O 2.85Å; E330-S395 PolarHBondContact O-N 3.26Å
331	L	88.2	Confident	78.5	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	114.7	178	-173.8	70.5	0	0	0	110.5	L278 F280 V334 W363 V380 L392 Y394	L278-L331 HydrophobicContact CD2-CD2 4.18Å; F280-L331 HydrophobicContact CD1-CD2 4.22Å; F280-L331 WeakPolarHBondContact O-CB 3.43Å; F280-L331 PolarHBondContact O-N 3.08Å; L331-V334 HydrophobicContact CD1-CG2 4.13Å; L331-V334 HydrophobicContact CD2-CG2 3.75Å; L331-V334 HydrophobicContact CG-CG2 4.2Å; L331-W363 HydrophobicContact CB-CH2 4.45Å; L331-W363 HydrophobicContact CD2-CH2 3.92Å; L331-W363 HydrophobicContact CG-CH2 3.95Å; L331-V380 HydrophobicContact CD2-CG1 3.56Å; L331-L392 HydrophobicContact CD1-CB 4.11Å; L331-Y394 HydrophobicContact CB-CD1 4.01Å; L331-Y394 HydrophobicContact CB-CE1 3.64Å; L331-Y394 HydrophobicContact CD1-CD1 4.39Å; L331-Y394 HydrophobicContact CD1-CD2 3.92Å; L331-Y394 HydrophobicContact CD1-CE1 4.05Å; L331-Y394 HydrophobicContact CD1-CE2 3.54Å; L331-Y394 HydrophobicContact CD1-CG 4.33Å; L331-Y394 HydrophobicContact CG-CE1 4.39Å
332	Q	85.4	Confident	80	Confident	15 Å²	15	41.4 Å²	41.4	7%	0.07	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-32.8	179.1	-56.9	-53.3	-47.3	0	0	113	E330 K351 L393 S395	E330-Q332 PolarHBondContact O-N 2.7Å; E330-Q332 PolarHBondContact O-NE2 2.9Å; E330-Q332 VanDerWaalsContact O-NE2 3.14Å; E330-Q332 PolarHBondContact OE2-NE2 2.75Å; Q332-K351 WeakPolarHBondContact O-CB 3.42Å; Q332-K351 PolarHBondContact O-N 2.83Å; Q332-L393 PolarHBondContact N-O 3.24Å; Q332-S395 WeakPolarHBondContact CG-OG 3.38Å; Q332-S395 PolarHBondContact NE2-OG 3.07Å
333	A	87.7	Confident	81.5	Confident	3 Å²	3	38.5 Å²	38.5	3%	0.025	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	152.4	-178.7	0	0	0	0	0	113.4	I82 C349 I350 L393	I82-A333 HydrophobicContact CD1-CB 4.34Å; I82-A333 HydrophobicContact CG1-CB 3.99Å; I82-A333 HydrophobicContact CG2-CB 3.82Å; A333-C349 CarbonylContact C-O 3.57Å; A333-C349 VanDerWaalsContact CA-O 3.27Å; A333-C349 WeakPolarHBondContact CA-O 3.19Å; A333-I350 HydrophobicContact CB-CG2 4.08Å; A333-L393 HydrophobicContact CB-CB 4.03Å; A333-L393 PolarHBondContact N-O 3.43Å; A333-L393 PolarHBondContact O-N 2.85Å
334	V	89.2	Confident	82.9	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	113.2	174.5	177.2	0	0	0	0	108.3	L331 A348 C349 F382 L392	L331-V334 HydrophobicContact CD1-CG2 4.13Å; L331-V334 HydrophobicContact CD2-CG2 3.75Å; L331-V334 HydrophobicContact CG-CG2 4.2Å; V334-A348 WeakPolarHBondContact O-CA 3.29Å; V334-C349 HydrophobicContact CB-CB 4.29Å; V334-C349 PolarHBondContact N-O 3.28Å; V334-C349 PolarHBondContact O-N 3.28Å; V334-F382 HydrophobicContact CG1-CE1 3.62Å; V334-F382 HydrophobicContact CG1-CZ 3.66Å; V334-L392 HydrophobicContact CB-CD2 4.45Å; V334-L392 HydrophobicContact CG1-CD2 4Å; V334-L392 HydrophobicContact CG2-CD2 4.08Å
335	I	87.1	Confident	83.8	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.9	169	-61.2	-177.1	0	0	0	108.5	V74 I82 L157 W346 V347 C390 I391	V74-I335 HydrophobicContact CG1-CD1 3.8Å; V74-I335 HydrophobicContact CG2-CD1 3.92Å; V74-I335 HydrophobicContact CG2-CG2 4.24Å; I82-I335 HydrophobicContact CD1-CD1 3.51Å; I82-I335 HydrophobicContact CD1-CG1 3.39Å; L157-I335 HydrophobicContact CD1-CD1 3.57Å; I335-W346 HydrophobicContact CG2-CE3 3.49Å; I335-W346 VanDerWaalsContact CG2-CE3 3.49Å; I335-W346 HydrophobicContact CG2-CZ3 3.71Å; I335-V347 WeakPolarHBondContact CA-O 3.29Å; I335-C390 PolarHBondContact O-N 3.18Å; I335-I391 HydrophobicContact CB-CB 4.21Å; I335-I391 HydrophobicContact CD1-CB 4.25Å; I335-I391 HydrophobicContact CD1-CD1 4.32Å; I335-I391 HydrophobicContact CG1-CB 4.46Å; I335-I391 PolarHBondContact N-O 3.44Å; I335-I391 PolarHBondContact O-N 2.89Å
336	S	89.2	Confident	84	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	143.9	172.3	-56.5	0	0	0	0	111.1	V347 K387 V388	S336-V347 PolarHBondContact N-O 2.93Å; S336-V347 PolarHBondContact O-N 3.3Å; S336-K387 VanDerWaalsContact OG-CE 3.32Å; S336-K387 WeakPolarHBondContact OG-CE 3.24Å; S336-V388 CarbonylContact C-O 3.5Å; S336-V388 WeakPolarHBondContact CA-O 3.39Å; S336-V388 WeakPolarHBondContact CB-O 3.36Å
337	Y	87.1	Confident	84.1	Confident	38 Å²	38	28.1 Å²	28.1	15%	0.149	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	122.9	165.1	179.4	-102.2	0	0	0	109.4	P68 K339 G344 W346 V388	P68-Y337 HydrophobicContact CB-CE2 4.36Å; P68-Y337 VanDerWaalsContact CB-OH 3.27Å; P68-Y337 WeakPolarHBondContact CB-OH 3.01Å; P68-Y337 WeakPolarHBondContact CG-OH 3.42Å; Y337-K339 HydrophobicContact CD1-CG 3.91Å; Y337-K339 HydrophobicContact CE1-CG 3.66Å; Y337-G344 WeakPolarHBondContact OH-CA 3.32Å; Y337-G344 PolarHBondContact OH-N 2.94Å; Y337-W346 HydrophobicContact CD2-CD2 4.05Å; Y337-W346 AromaticContact CD2-CE2 3.91Å; Y337-W346 HydrophobicContact CD2-CE3 4.43Å; Y337-W346 HydrophobicContact CD2-CG 4.46Å; Y337-W346 HydrophobicContact CD2-CZ2 4.21Å; Y337-V388 PolarHBondContact N-O 3.48Å; Y337-V388 PolarHBondContact O-N 3.13Å
338	I	89.5	Confident	84	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	109.6	179.2	-52.9	-52.8	0	0	0	109.3	I37 Y41 S340 G344 H345 V347 W386 K387	I37-I338 HydrophobicContact CD1-CG2 4.49Å; I37-I338 HydrophobicContact CG2-CG2 4.34Å; Y41-I338 HydrophobicContact CD1-CD1 3.62Å; Y41-I338 HydrophobicContact CD1-CG1 4.07Å; Y41-I338 HydrophobicContact CE1-CD1 4.19Å; I338-S340 PolarHBondContact O-N 3.22Å; I338-G344 CarbonylContact O-C 3.59Å; I338-G344 WeakPolarHBondContact O-CA 3.17Å; I338-H345 PolarHBondContact N-O 2.94Å; I338-H345 PolarHBondContact O-N 3.08Å; I338-V347 HydrophobicContact CD1-CG2 3.79Å; I338-V347 HydrophobicContact CG1-CB 4.37Å; I338-V347 HydrophobicContact CG1-CG1 3.76Å; I338-V347 HydrophobicContact CG1-CG2 3.69Å; I338-W386 CarbonylContact C-O 3.56Å; I338-W386 VanDerWaalsContact CA-O 3.27Å; I338-W386 WeakPolarHBondContact CA-O 3.42Å; I338-W386 HydrophobicContact CD1-CE3 4.22Å; I338-W386 HydrophobicContact CD1-CZ3 4.08Å; I338-W386 HydrophobicContact CG2-CE3 4.24Å; I338-K387 HydrophobicContact CD1-CB 4Å; I338-K387 HydrophobicContact CD1-CG 3.77Å
339	K	86.3	Confident	84.1	Confident	53 Å²	53	25.3 Å²	25.3	23%	0.23	16%	0.158	C	C	.	.			trans	-79	114.8	170.7	-61.9	157.1	170.7	172	0	108.7	I37 R239 Y337 V384 D385 W386 V388	I37-K339 WeakPolarHBondContact CD1-O 3.41Å; R239-K339 VanDerWaalsContact NE-NZ 3.18Å; Y337-K339 HydrophobicContact CD1-CG 3.91Å; Y337-K339 HydrophobicContact CE1-CG 3.66Å; K339-V384 PolarHBondContact NZ-O 2.9Å; K339-D385 WeakPolarHBondContact CD-O 3.42Å; K339-W386 PolarHBondContact N-O 3.39Å; K339-V388 HydrophobicContact CD-CG2 4.05Å; K339-V388 VanDerWaalsContact CE-CG2 3.49Å
340	S	81	Confident	83.9	Confident	45 Å²	45	25.4 Å²	25.4	32%	0.315	16%	0.158	S	C	.	.			trans	-131.9	100.5	176.3	-178.3	0	0	0	0	108.7	I338 T342	I338-S340 PolarHBondContact O-N 3.22Å; S340-T342 PolarHBondContact O-N 2.74Å
341	G	73.1	Confident	83.6	Confident	81 Å²	81	24.9 Å²	24.9	84%	0.835	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	-134.1	-172.1	0	0	0	0	0	112.2
342	T	71	Confident	82.8	Confident	132 Å²	132	25.1 Å²	25.1	81%	0.81	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-19.8	-176.9	51.9	0	0	0	0	114.6	S340	S340-T342 PolarHBondContact O-N 2.74Å
343	V	72	Confident	81.6	Confident	70 Å²	70	28.8 Å²	28.8	42%	0.424	18%	0.177	S	C	.	.			trans	-130.7	105.3	-174.6	-177.3	0	0	0	0	109.9
344	G	79.5	Confident	79.9	Confident	10 Å²	10	30.1 Å²	30.1	10%	0.103	19%	0.186	C	C	.	.			trans	-78.5	-178.6	172.1	0	0	0	0	0	113.8	Y337 I338	Y337-G344 WeakPolarHBondContact OH-CA 3.32Å; Y337-G344 PolarHBondContact OH-N 2.94Å; I338-G344 CarbonylContact O-C 3.59Å; I338-G344 WeakPolarHBondContact O-CA 3.17Å
345	H	81.3	Confident	78	Confident	11 Å²	11	37.9 Å²	37.9	5%	0.051	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	166.4	176.7	63.5	-63.3	0	0	0	110.5	Y41 K43 I338 N367	Y41-H345 PolarHBondContact O-CE1 2.94Å; Y41-H345 PolarHBondContact O-NE2 3.41Å; Y41-H345 VanDerWaalsContact O-NE2 3.14Å; K43-H345 HydrophobicContact CD-CB 4.13Å; K43-H345 HydrophobicContact CG-CB 4.4Å; K43-H345 PolarHBondContact N-CE1 3.05Å; I338-H345 PolarHBondContact N-O 2.94Å; I338-H345 PolarHBondContact O-N 3.08Å; H345-N367 PolarHBondContact CD2-OD1 3.26Å; H345-N367 PolarHBondContact NE2-OD1 3.47Å
346	W	83.8	Confident	76	Confident	47 Å²	47	41.1 Å²	41.1	18%	0.178	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	143.7	-179.3	-67	100.3	0	0	0	110.7	L78 I335 Y337 C390	L78-W346 VanDerWaalsContact CD1-C 3.49Å; L78-W346 HydrophobicContact CD1-CB 3.55Å; L78-W346 WeakPolarHBondContact CD1-O 3.13Å; I335-W346 HydrophobicContact CG2-CE3 3.49Å; I335-W346 VanDerWaalsContact CG2-CE3 3.49Å; I335-W346 HydrophobicContact CG2-CZ3 3.71Å; Y337-W346 HydrophobicContact CD2-CD2 4.05Å; Y337-W346 AromaticContact CD2-CE2 3.91Å; Y337-W346 HydrophobicContact CD2-CE3 4.43Å; Y337-W346 HydrophobicContact CD2-CG 4.46Å; Y337-W346 HydrophobicContact CD2-CZ2 4.21Å; W346-C390 HydrophobicContact CH2-CB 3.88Å; W346-C390 HydrophobicContact CZ3-CB 3.49Å; W346-C390 VanDerWaalsContact CZ3-CB 3.49Å; W346-C390 WeakPolarHBondContact CZ3-SG 3.4Å
347	V	86.4	Confident	73.7	Confident	0 Å²	0	47 Å²	47	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	157.9	170	-57.5	0	0	0	0	110.3	Y41 I335 S336 I338 L365 I366 N367	Y41-V347 HydrophobicContact CD1-CG2 3.98Å; Y41-V347 HydrophobicContact CE1-CG2 3.95Å; I335-V347 WeakPolarHBondContact CA-O 3.29Å; S336-V347 PolarHBondContact N-O 2.93Å; S336-V347 PolarHBondContact O-N 3.3Å; I338-V347 HydrophobicContact CD1-CG2 3.79Å; I338-V347 HydrophobicContact CG1-CB 4.37Å; I338-V347 HydrophobicContact CG1-CG1 3.76Å; I338-V347 HydrophobicContact CG1-CG2 3.69Å; V347-L365 HydrophobicContact CB-CD1 3.85Å; V347-L365 HydrophobicContact CG2-CD1 3.88Å; V347-I366 WeakPolarHBondContact CA-O 3.32Å; V347-I366 WeakPolarHBondContact CB-O 3.22Å; V347-N367 HydrophobicContact CG1-CB 3.89Å
348	A	85.9	Confident	71.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	121.4	175.5	0	0	0	0	0	111.1	L78 I82 V334 I350 I366	L78-A348 HydrophobicContact CB-CB 4.22Å; L78-A348 HydrophobicContact CD2-CB 3.93Å; L78-A348 HydrophobicContact CG-CB 4.49Å; I82-A348 HydrophobicContact CD1-CB 3.79Å; I82-A348 HydrophobicContact CG1-CB 4.13Å; V334-A348 WeakPolarHBondContact O-CA 3.29Å; A348-I350 HydrophobicContact CB-CG2 4.42Å; A348-I366 PolarHBondContact N-O 3.39Å; A348-I366 PolarHBondContact O-N 2.8Å
349	C	88.1	Confident	70	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	122.6	163.4	-55.9	0	0	0	0	107.9	A333 V334 W363 Y364 I374 A379	A333-C349 CarbonylContact C-O 3.57Å; A333-C349 VanDerWaalsContact CA-O 3.27Å; A333-C349 WeakPolarHBondContact CA-O 3.19Å; V334-C349 HydrophobicContact CB-CB 4.29Å; V334-C349 PolarHBondContact N-O 3.28Å; V334-C349 PolarHBondContact O-N 3.28Å; C349-W363 HydrophobicContact CB-CE3 4.38Å; C349-Y364 CarbonylContact C-O 3.58Å; C349-Y364 WeakPolarHBondContact CA-O 3.33Å; C349-I374 HydrophobicContact CB-CD1 3.94Å; C349-A379 HydrophobicContact CB-CB 3.6Å
350	I	84.2	Confident	68.4	Low	5 Å²	5	57 Å²	57	3%	0.026	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	145.7	-178.4	54.1	157.8	0	0	0	111.2	I82 H85 A333 A348 W363 Y364 I366	I82-I350 HydrophobicContact CG1-CG2 3.85Å; H85-I350 WeakPolarHBondContact CD2-CD1 3.35Å; H85-I350 WeakPolarHBondContact NE2-CD1 3.35Å; A333-I350 HydrophobicContact CB-CG2 4.08Å; A348-I350 HydrophobicContact CB-CG2 4.42Å; I350-W363 CarbonylContact O-C 3.57Å; I350-W363 VanDerWaalsContact O-CA 3.32Å; I350-W363 WeakPolarHBondContact O-CA 3.43Å; I350-Y364 WeakPolarHBondContact CG1-O 3.27Å; I350-Y364 PolarHBondContact N-O 3.13Å; I350-Y364 PolarHBondContact O-N 3.3Å; I350-I366 HydrophobicContact CD1-CD1 3.66Å; I350-I366 HydrophobicContact CD1-CG1 4.25Å; I350-I366 HydrophobicContact CG1-CD1 4.09Å; I350-I366 HydrophobicContact CG1-CG1 4.27Å
351	K	80.5	Confident	67.6	Low	11 Å²	11	55.6 Å²	55.6	5%	0.048	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.5	168	-179	172.3	173.9	157.1	0	109.3	E330 Q332 S361 W363	E330-K351 IonicContact OE1-NZ 2.9Å; E330-K351 PolarHBondContact OE1-NZ 3.31Å; E330-K351 IonicContact OE2-NZ 2.67Å; E330-K351 PolarHBondContact OE2-NZ 3.12Å; Q332-K351 WeakPolarHBondContact O-CB 3.42Å; Q332-K351 PolarHBondContact O-N 2.83Å; K351-S361 WeakPolarHBondContact CE-OG 3.3Å; K351-S361 PolarHBondContact NZ-OG 3.31Å; K351-W363 HydrophobicContact CB-CD2 4.21Å; K351-W363 HydrophobicContact CB-CE3 4.44Å; K351-W363 HydrophobicContact CB-CH2 4.16Å; K351-W363 HydrophobicContact CB-CZ2 3.91Å; K351-W363 HydrophobicContact CB-CZ3 4.42Å; K351-W363 HydrophobicContact CD-CZ2 4.26Å; K351-W363 HydrophobicContact CG-CZ2 4.41Å
352	A	71.7	Confident	67.6	Low	5 Å²	5	55.2 Å²	55.2	4%	0.041	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	131	169.8	0	0	0	0	0	110.3	L129 S354 R362 Y364	L129-A352 HydrophobicContact CD2-CB 4.21Å; A352-S354 PolarHBondContact O-N 3.45Å; A352-R362 PolarHBondContact N-O 2.9Å; A352-Y364 HydrophobicContact CB-CD2 3.83Å; A352-Y364 HydrophobicContact CB-CE2 3.59Å
353	L	59.9	Low	68.1	Low	92 Å²	92	49.2 Å²	49.2	48%	0.482	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	112.7	165.9	-66.5	169.1	0	0	0	108.2	E87	E87-L353 HydrophobicContact CB-CD1 4.36Å
354	S	51.7	Low	68.5	Low	31 Å²	31	46.3 Å²	46.3	22%	0.217	24%	0.235	C	C	.	.			trans	-72.1	136.9	165.8	-172.4	0	0	0	0	110	A352 D356	A352-S354 PolarHBondContact O-N 3.45Å; S354-D356 PolarHBondContact O-N 2.98Å; S354-D356 WeakPolarHBondContact OG-CB 3.43Å; S354-D356 PolarHBondContact OG-N 2.87Å; S354-D356 PolarHBondContact OG-OD2 3.04Å
355	N	48.3	Very low	68.8	Low	163 Å²	163	45.9 Å²	45.9	87%	0.872	23%	0.23	S	C	*	.			trans	-74.3	-6.6	168.1	-76.6	-18.3	0	0	0	112.5
356	D	45.4	Very low	68.7	Low	70 Å²	70	45.4 Å²	45.4	37%	0.374	23%	0.228	S	C	.	.	S	Bend	trans	-62.7	142.4	174.9	-56	-41.5	0	0	0	110.6	S354 I358 R359	S354-D356 PolarHBondContact O-N 2.98Å; S354-D356 WeakPolarHBondContact OG-CB 3.43Å; S354-D356 PolarHBondContact OG-N 2.87Å; S354-D356 PolarHBondContact OG-OD2 3.04Å; D356-I358 PolarHBondContact O-N 2.84Å; D356-R359 PolarHBondContact O-N 2.88Å
357	S	41.8	Very low	68.6	Low	122 Å²	122	43.2 Å²	43.2	85%	0.853	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-19.3	178	49.8	0	0	0	0	114.8
358	I	47.2	Very low	67.9	Low	71 Å²	71	45 Å²	45	36%	0.364	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-6.8	-176.5	-54.1	175.2	0	0	0	112.4	L311 D356 R360	L311-I358 HydrophobicContact CD2-CG2 3.48Å; L311-I358 VanDerWaalsContact CD2-CG2 3.48Å; L311-I358 WeakPolarHBondContact CD2-O 3.39Å; D356-I358 PolarHBondContact O-N 2.84Å; I358-R360 HydrophobicContact CB-CG 4.13Å; I358-R360 HydrophobicContact CG2-CG 3.73Å; I358-R360 PolarHBondContact O-N 3.46Å; I358-R360 VanDerWaalsContact O-N 3.16Å
359	R	51.5	Low	67	Low	161 Å²	161	47.9 Å²	47.9	61%	0.608	25%	0.247	S	C	*	.			trans	50.7	35.7	-179.4	-65	-170.8	176.4	-167.6	1.9	114.7	D356 S361	D356-R359 PolarHBondContact O-N 2.88Å; R359-S361 PolarHBondContact O-N 3.49Å
360	R	53.1	Low	66.1	Low	69 Å²	69	50.4 Å²	50.4	26%	0.26	26%	0.258	S	S	.	.			trans	-60.6	122.2	-179.2	-64.9	-175.2	178.1	165.2	-3.5	110.8	N307 T309 I358 R362	N307-R360 PolarHBondContact ND2-NH2 2.75Å; N307-R360 PolarHBondContact OD1-NH2 3.39Å; T309-R360 HydrophobicContact CG2-CG 4Å; I358-R360 HydrophobicContact CB-CG 4.13Å; I358-R360 HydrophobicContact CG2-CG 3.73Å; I358-R360 PolarHBondContact O-N 3.46Å; I358-R360 VanDerWaalsContact O-N 3.16Å; R360-R362 PolarHBondContact O-N 3.14Å
361	S	64.3	Low	65.6	Low	17 Å²	17	51.3 Å²	51.3	12%	0.119	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	85.7	-179	-65.5	0	0	0	0	110.9	K351 R359	K351-S361 WeakPolarHBondContact CE-OG 3.3Å; K351-S361 PolarHBondContact NZ-OG 3.31Å; R359-S361 PolarHBondContact O-N 3.49Å
362	R	73.2	Confident	65.5	Low	73 Å²	73	53.5 Å²	53.5	28%	0.275	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	145.2	177.5	-57.8	179.2	84	173.4	2.3	110.2	T127 A352 R360 Y364 E373	T127-R362 PolarHBondContact O-NH1 3.4Å; T127-R362 VanDerWaalsContact O-NH1 3.09Å; A352-R362 PolarHBondContact N-O 2.9Å; R360-R362 PolarHBondContact O-N 3.14Å; R362-Y364 HydrophobicContact CB-CE2 3.92Å; R362-Y364 PolarHBondContact NE-OH 3.3Å; R362-E373 IonicContact CZ-OE1 2.74Å; R362-E373 VanDerWaalsContact CZ-OE1 3.32Å; R362-E373 IonicContact CZ-OE2 2.86Å; R362-E373 IonicContact NE-OE1 3.65Å; R362-E373 PolarHBondContact NE-OE1 2.78Å; R362-E373 IonicContact NE-OE2 3.77Å; R362-E373 VanDerWaalsContact NH2-CD 3.29Å; R362-E373 IonicContact NH2-OE1 3.73Å; R362-E373 PolarHBondContact NH2-OE1 3Å; R362-E373 VanDerWaalsContact NH2-OE1 3.07Å; R362-E373 IonicContact NH2-OE2 3.96Å; R362-E373 PolarHBondContact NH2-OE2 3.25Å
363	W	80.2	Confident	65.9	Low	6 Å²	6	57.8 Å²	57.8	2%	0.023	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	141.6	-179.5	-76.8	75.8	0	0	0	110.9	F280 L331 C349 I350 K351 E373 I374 P376 A379	F280-W363 HydrophobicContact CD1-CH2 4.49Å; F280-W363 AromaticContact CD1-CZ2 3.83Å; F280-W363 HydrophobicContact CD1-CZ2 3.83Å; F280-W363 HydrophobicContact CE1-CH2 4.38Å; F280-W363 AromaticContact CE1-CZ2 3.79Å; F280-W363 HydrophobicContact CE1-CZ2 3.79Å; L331-W363 HydrophobicContact CB-CH2 4.45Å; L331-W363 HydrophobicContact CD2-CH2 3.92Å; L331-W363 HydrophobicContact CG-CH2 3.95Å; C349-W363 HydrophobicContact CB-CE3 4.38Å; I350-W363 CarbonylContact O-C 3.57Å; I350-W363 VanDerWaalsContact O-CA 3.32Å; I350-W363 WeakPolarHBondContact O-CA 3.43Å; K351-W363 HydrophobicContact CB-CD2 4.21Å; K351-W363 HydrophobicContact CB-CE3 4.44Å; K351-W363 HydrophobicContact CB-CH2 4.16Å; K351-W363 HydrophobicContact CB-CZ2 3.91Å; K351-W363 HydrophobicContact CB-CZ3 4.42Å; K351-W363 HydrophobicContact CD-CZ2 4.26Å; K351-W363 HydrophobicContact CG-CZ2 4.41Å; W363-E373 WeakPolarHBondContact O-CA 3.32Å; W363-I374 HydrophobicContact CB-CG1 3.9Å; W363-I374 WeakPolarHBondContact CB-O 3.41Å; W363-I374 PolarHBondContact O-N 3.42Å; W363-P376 HydrophobicContact CG-CB 4.36Å; W363-P376 HydrophobicContact CG-CG 4.44Å; W363-A379 HydrophobicContact CD2-CB 4.14Å; W363-A379 HydrophobicContact CE3-CB 3.46Å; W363-A379 VanDerWaalsContact CE3-CB 3.46Å; W363-A379 HydrophobicContact CZ3-CB 3.69Å
364	Y	81.5	Confident	66.8	Low	9 Å²	9	53.9 Å²	53.9	4%	0.035	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132.3	-178.5	-63.3	-82.6	0	0	0	110.8	L130 C349 I350 A352 R362 V371 N372 E373	L130-Y364 HydrophobicContact CD1-CE1 4.25Å; L130-Y364 HydrophobicContact CD2-CD1 3.9Å; L130-Y364 HydrophobicContact CD2-CE1 3.92Å; L130-Y364 HydrophobicContact CG-CE1 4.17Å; C349-Y364 CarbonylContact C-O 3.58Å; C349-Y364 WeakPolarHBondContact CA-O 3.33Å; I350-Y364 WeakPolarHBondContact CG1-O 3.27Å; I350-Y364 PolarHBondContact N-O 3.13Å; I350-Y364 PolarHBondContact O-N 3.3Å; A352-Y364 HydrophobicContact CB-CD2 3.83Å; A352-Y364 HydrophobicContact CB-CE2 3.59Å; R362-Y364 HydrophobicContact CB-CE2 3.92Å; R362-Y364 PolarHBondContact NE-OH 3.3Å; Y364-V371 HydrophobicContact CD1-CG1 4.08Å; Y364-V371 HydrophobicContact CG-CG1 4.36Å; Y364-N372 CarbonylContact C-O 3.57Å; Y364-N372 VanDerWaalsContact CA-O 3.31Å; Y364-N372 WeakPolarHBondContact CA-O 3.47Å; Y364-E373 HydrophobicContact CD1-CB 3.9Å; Y364-E373 HydrophobicContact CD1-CG 4.24Å; Y364-E373 HydrophobicContact CE1-CB 3.66Å; Y364-E373 HydrophobicContact CE1-CG 3.8Å
365	L	85	Confident	68.3	Low	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	124.9	165.9	176.4	67	0	0	0	109.2	H40 Y41 V347 V371 N372 I374	H40-L365 HydrophobicContact CB-CD2 4.26Å; H40-L365 VanDerWaalsContact CD2-CD2 3.5Å; H40-L365 WeakPolarHBondContact CD2-CD2 3.41Å; H40-L365 WeakPolarHBondContact O-CD2 3.49Å; Y41-L365 HydrophobicContact CD1-CD1 3.97Å; Y41-L365 HydrophobicContact CD1-CD2 3.78Å; Y41-L365 HydrophobicContact CD2-CD2 3.83Å; Y41-L365 HydrophobicContact CE1-CD1 3.42Å; Y41-L365 VanDerWaalsContact CE1-CD1 3.42Å; Y41-L365 HydrophobicContact CE1-CD2 3.74Å; Y41-L365 HydrophobicContact CE1-CG 4.23Å; Y41-L365 HydrophobicContact CE2-CD2 3.79Å; Y41-L365 HydrophobicContact CG-CD2 3.84Å; V347-L365 HydrophobicContact CB-CD1 3.85Å; V347-L365 HydrophobicContact CG2-CD1 3.88Å; L365-V371 VanDerWaalsContact O-CA 3.25Å; L365-V371 WeakPolarHBondContact O-CA 3.1Å; L365-N372 PolarHBondContact N-O 3.22Å; L365-N372 PolarHBondContact O-N 3.44Å; L365-I374 HydrophobicContact CB-CD1 4.27Å; L365-I374 HydrophobicContact CB-CG2 3.85Å
366	I	79.7	Confident	69.9	Low	2 Å²	2	51.2 Å²	51.2	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	118.2	167.9	-51.7	-178.9	0	0	0	109.1	L78 C81 V347 A348 I350 V371	L78-I366 HydrophobicContact CD2-CB 3.99Å; L78-I366 HydrophobicContact CD2-CG2 3.65Å; C81-I366 HydrophobicContact CB-CD1 3.78Å; V347-I366 WeakPolarHBondContact CA-O 3.32Å; V347-I366 WeakPolarHBondContact CB-O 3.22Å; A348-I366 PolarHBondContact N-O 3.39Å; A348-I366 PolarHBondContact O-N 2.8Å; I350-I366 HydrophobicContact CD1-CD1 3.66Å; I350-I366 HydrophobicContact CD1-CG1 4.25Å; I350-I366 HydrophobicContact CG1-CD1 4.09Å; I350-I366 HydrophobicContact CG1-CG1 4.27Å; I366-V371 HydrophobicContact CB-CG2 4.24Å; I366-V371 HydrophobicContact CG1-CG2 3.89Å; I366-V371 HydrophobicContact CG2-CG2 4.11Å
367	N	81	Confident	71.7	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	94.1	177	177.3	4.5	0	0	0	109	H40 Q42 H345 V347 T369 Q370	H40-N367 PolarHBondContact O-ND2 3.17Å; Q42-N367 PolarHBondContact O-ND2 3.38Å; H345-N367 PolarHBondContact CD2-OD1 3.26Å; H345-N367 PolarHBondContact NE2-OD1 3.47Å; V347-N367 HydrophobicContact CG1-CB 3.89Å; N367-T369 PolarHBondContact O-N 3.37Å; N367-Q370 PolarHBondContact N-O 2.95Å; N367-Q370 PolarHBondContact O-N 3.15Å
368	D	72.6	Confident	73.9	Confident	38 Å²	38	46.7 Å²	46.7	20%	0.203	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	-89.3	-171.4	-77.3	-30.5	0	0	0	114.6	N75	N75-D368 PolarHBondContact ND2-OD1 2.76Å
369	T	66.1	Low	75.8	Confident	60 Å²	60	43.3 Å²	43.3	37%	0.368	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-3.2	178.8	61.5	0	0	0	0	113.8	N367	N367-T369 PolarHBondContact O-N 3.37Å
370	Q	69.1	Low	77.6	Confident	53 Å²	53	35.7 Å²	35.7	25%	0.248	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	138.5	175.6	-61.1	-173.3	4.1	0	0	109.8	N367	N367-Q370 PolarHBondContact N-O 2.95Å; N367-Q370 PolarHBondContact O-N 3.15Å
371	V	73.3	Confident	79.2	Confident	25 Å²	25	35.3 Å²	35.3	15%	0.152	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	131.6	167.2	177.7	0	0	0	0	110.3	L130 W133 Y364 L365 I366	L130-V371 HydrophobicContact CD2-CB 4.21Å; L130-V371 HydrophobicContact CD2-CG1 3.5Å; W133-V371 HydrophobicContact CD2-CB 4.4Å; W133-V371 HydrophobicContact CD2-CG2 3.98Å; W133-V371 HydrophobicContact CE3-CG2 3.72Å; W133-V371 HydrophobicContact CH2-CB 4.33Å; W133-V371 HydrophobicContact CH2-CG2 3.2Å; W133-V371 HydrophobicContact CZ2-CB 4.03Å; W133-V371 HydrophobicContact CZ2-CG1 4.43Å; W133-V371 HydrophobicContact CZ2-CG2 3.35Å; W133-V371 HydrophobicContact CZ3-CG2 3.33Å; Y364-V371 HydrophobicContact CD1-CG1 4.08Å; Y364-V371 HydrophobicContact CG-CG1 4.36Å; L365-V371 VanDerWaalsContact O-CA 3.25Å; L365-V371 WeakPolarHBondContact O-CA 3.1Å; I366-V371 HydrophobicContact CB-CG2 4.24Å; I366-V371 HydrophobicContact CG1-CG2 3.89Å; I366-V371 HydrophobicContact CG2-CG2 4.11Å
372	N	78.7	Confident	80.3	Confident	56 Å²	56	35 Å²	35	30%	0.299	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.2	-179	-61.2	-82.4	0	0	0	108.4	H40 Y364 L365	H40-N372 HydrophobicContact CB-CB 4.3Å; H40-N372 WeakPolarHBondContact CB-ND2 3.45Å; Y364-N372 CarbonylContact C-O 3.57Å; Y364-N372 VanDerWaalsContact CA-O 3.31Å; Y364-N372 WeakPolarHBondContact CA-O 3.47Å; L365-N372 PolarHBondContact N-O 3.22Å; L365-N372 PolarHBondContact O-N 3.44Å
373	E	79.9	Confident	81.1	Confident	95 Å²	95	33.5 Å²	33.5	44%	0.444	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	134.9	167.6	-168.5	163.5	-179.4	0	0	108.7	R362 W363 Y364	R362-E373 IonicContact CZ-OE1 2.74Å; R362-E373 VanDerWaalsContact CZ-OE1 3.32Å; R362-E373 IonicContact CZ-OE2 2.86Å; R362-E373 IonicContact NE-OE1 3.65Å; R362-E373 PolarHBondContact NE-OE1 2.78Å; R362-E373 IonicContact NE-OE2 3.77Å; R362-E373 VanDerWaalsContact NH2-CD 3.29Å; R362-E373 IonicContact NH2-OE1 3.73Å; R362-E373 PolarHBondContact NH2-OE1 3Å; R362-E373 VanDerWaalsContact NH2-OE1 3.07Å; R362-E373 IonicContact NH2-OE2 3.96Å; R362-E373 PolarHBondContact NH2-OE2 3.25Å; W363-E373 WeakPolarHBondContact O-CA 3.32Å; Y364-E373 HydrophobicContact CD1-CB 3.9Å; Y364-E373 HydrophobicContact CD1-CG 4.24Å; Y364-E373 HydrophobicContact CE1-CB 3.66Å; Y364-E373 HydrophobicContact CE1-CG 3.8Å
374	I	79.9	Confident	81.5	Confident	10 Å²	10	33.2 Å²	33.2	5%	0.051	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	156.6	-178.6	60.5	167.7	0	0	0	109.9	C349 W363 L365 E378 A379	C349-I374 HydrophobicContact CB-CD1 3.94Å; W363-I374 HydrophobicContact CB-CG1 3.9Å; W363-I374 WeakPolarHBondContact CB-O 3.41Å; W363-I374 PolarHBondContact O-N 3.42Å; L365-I374 HydrophobicContact CB-CD1 4.27Å; L365-I374 HydrophobicContact CB-CG2 3.85Å; I374-E378 HydrophobicContact CB-CB 4.41Å; I374-A379 HydrophobicContact CD1-CB 3.95Å
375	I	81.8	Confident	81.7	Confident	107 Å²	107	36.3 Å²	36.3	55%	0.549	19%	0.19	S	C	.	.			trans	-71.6	148.6	171.1	61.3	173.3	0	0	0	110.1	L377 E378	I375-L377 HydrophobicContact CD1-CB 4.3Å; I375-L377 PolarHBondContact O-N 3.06Å; I375-L377 VanDerWaalsContact O-N 3.16Å; I375-E378 HydrophobicContact CG1-CB 3.72Å; I375-E378 WeakPolarHBondContact O-CB 3.27Å; I375-E378 PolarHBondContact O-N 3.43Å
376	P	82.4	Confident	82	Confident	31 Å²	31	37.5 Å²	37.5	20%	0.201	20%	0.195	C	C	.	.	H	α-helix	trans	-53.7	-40.9	-179.8	-24.2	30.2	0	0	0	112.9	F280 W363 E378 A379 V380	F280-P376 HydrophobicContact CE1-CB 3.84Å; F280-P376 HydrophobicContact CZ-CB 3.66Å; F280-P376 WeakPolarHBondContact CZ-O 3.4Å; W363-P376 HydrophobicContact CG-CB 4.36Å; W363-P376 HydrophobicContact CG-CG 4.44Å; P376-E378 PolarHBondContact O-N 2.82Å; P376-A379 WeakPolarHBondContact O-CB 3.31Å; P376-A379 PolarHBondContact O-N 3.42Å; P376-A379 VanDerWaalsContact O-N 3.08Å; P376-V380 PolarHBondContact O-N 3.43Å
377	L	83.4	Confident	82.5	Confident	45 Å²	45	37.6 Å²	37.6	24%	0.236	20%	0.195	C	C	.	.	H	α-helix	trans	-59.8	-32.6	-179.8	-176.6	61.3	0	0	0	112.6	L275 I375 A379 V380 N381	L275-L377 HydrophobicContact CB-CD1 3.85Å; L275-L377 HydrophobicContact CB-CD2 4.42Å; L275-L377 HydrophobicContact CD1-CD2 4.01Å; I375-L377 HydrophobicContact CD1-CB 4.3Å; I375-L377 PolarHBondContact O-N 3.06Å; I375-L377 VanDerWaalsContact O-N 3.16Å; L377-A379 VanDerWaalsContact C-N 3.34Å; L377-V380 HydrophobicContact CD1-CG2 4.3Å; L377-V380 WeakPolarHBondContact O-CG2 3.47Å; L377-V380 PolarHBondContact O-N 3.49Å; L377-N381 WeakPolarHBondContact O-CB 3.4Å; L377-N381 PolarHBondContact O-N 3.1Å
378	E	87.6	Confident	83	Confident	53 Å²	53	38 Å²	38	25%	0.248	20%	0.198	C	C	.	.	H	α-helix	trans	-71.1	-30.3	178.8	-170.9	-172.9	151.7	0	0	112	H40 Y41 I374 I375 P376 K387	H40-E378 IonicContact CD2-OE1 2.7Å; H40-E378 IonicContact CE1-OE1 2.97Å; H40-E378 IonicContact NE2-OE1 3.76Å; H40-E378 PolarHBondContact NE2-OE1 3.07Å; Y41-E378 VanDerWaalsContact CE2-OE1 3.3Å; Y41-E378 WeakPolarHBondContact CE2-OE1 3.3Å; I374-E378 HydrophobicContact CB-CB 4.41Å; I375-E378 HydrophobicContact CG1-CB 3.72Å; I375-E378 WeakPolarHBondContact O-CB 3.27Å; I375-E378 PolarHBondContact O-N 3.43Å; P376-E378 PolarHBondContact O-N 2.82Å; E378-K387 PolarHBondContact O-NZ 2.96Å
379	A	87.4	Confident	83.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63	-46	174.4	0	0	0	0	0	111.2	C349 W363 I374 P376 L377 F382 K387	C349-A379 HydrophobicContact CB-CB 3.6Å; W363-A379 HydrophobicContact CD2-CB 4.14Å; W363-A379 HydrophobicContact CE3-CB 3.46Å; W363-A379 VanDerWaalsContact CE3-CB 3.46Å; W363-A379 HydrophobicContact CZ3-CB 3.69Å; I374-A379 HydrophobicContact CD1-CB 3.95Å; P376-A379 WeakPolarHBondContact O-CB 3.31Å; P376-A379 PolarHBondContact O-N 3.42Å; P376-A379 VanDerWaalsContact O-N 3.08Å; L377-A379 VanDerWaalsContact C-N 3.34Å; A379-F382 WeakPolarHBondContact O-CE1 3.38Å; A379-K387 PolarHBondContact O-NZ 2.94Å
380	V	88.9	Confident	84.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-93	-10.2	-174.1	-59.1	0	0	0	0	114.9	S276 L278 F280 L331 P376 L377 F382	S276-V380 WeakPolarHBondContact OG-CG2 3.47Å; S276-V380 PolarHBondContact OG-O 3.14Å; L278-V380 HydrophobicContact CB-CB 4.33Å; L278-V380 HydrophobicContact CD2-CB 4.09Å; L278-V380 HydrophobicContact CD2-CG1 3.94Å; L278-V380 HydrophobicContact CG-CG1 4.47Å; F280-V380 HydrophobicContact CD1-CG1 4.12Å; F280-V380 HydrophobicContact CE1-CB 4.5Å; F280-V380 HydrophobicContact CE1-CG1 3.48Å; F280-V380 VanDerWaalsContact CE1-CG1 3.48Å; F280-V380 HydrophobicContact CE1-CG2 4.18Å; F280-V380 HydrophobicContact CE2-CG1 4.42Å; F280-V380 HydrophobicContact CE2-CG2 3.89Å; F280-V380 HydrophobicContact CZ-CB 4.21Å; F280-V380 HydrophobicContact CZ-CG1 3.66Å; F280-V380 HydrophobicContact CZ-CG2 3.45Å; F280-V380 VanDerWaalsContact CZ-CG2 3.45Å; L331-V380 HydrophobicContact CD2-CG1 3.56Å; P376-V380 PolarHBondContact O-N 3.43Å; L377-V380 HydrophobicContact CD1-CG2 4.3Å; L377-V380 WeakPolarHBondContact O-CG2 3.47Å; L377-V380 PolarHBondContact O-N 3.49Å; V380-F382 WeakPolarHBondContact O-CD2 3.31Å; V380-F382 WeakPolarHBondContact O-CE2 3.29Å
381	N	87	Confident	85.6	Confident	61 Å²	61	32.2 Å²	32.2	33%	0.326	17%	0.168	S	C	.	.			trans	-83.7	129.9	170.7	-167	31.6	0	0	0	109.6	L377 K387	L377-N381 WeakPolarHBondContact O-CB 3.4Å; L377-N381 PolarHBondContact O-N 3.1Å; N381-K387 PolarHBondContact O-NZ 2.84Å
382	F	88.6	Confident	86.3	Confident	10 Å²	10	31 Å²	31	4%	0.044	16%	0.16	C	C	.	.			trans	-119	151.3	178.9	-51.1	-65.4	0	0	0	110.4	W242 Q246 L278 V334 A379 V380 V384 K387 P389	W242-F382 HydrophobicContact CE3-CD2 4.34Å; W242-F382 AromaticContact CZ3-CD2 3.83Å; W242-F382 HydrophobicContact CZ3-CD2 3.83Å; W242-F382 HydrophobicContact CZ3-CE2 4.04Å; Q246-F382 PolarHBondContact NE2-O 2.78Å; Q246-F382 PolarHBondContact OE1-O 3.02Å; L278-F382 HydrophobicContact CD2-CE2 3.94Å; L278-F382 HydrophobicContact CD2-CZ 4.03Å; V334-F382 HydrophobicContact CG1-CE1 3.62Å; V334-F382 HydrophobicContact CG1-CZ 3.66Å; A379-F382 WeakPolarHBondContact O-CE1 3.38Å; V380-F382 WeakPolarHBondContact O-CD2 3.31Å; V380-F382 WeakPolarHBondContact O-CE2 3.29Å; F382-V384 HydrophobicContact CB-CG1 4.29Å; F382-K387 HydrophobicContact CD1-CD 4.08Å; F382-K387 HydrophobicContact CD1-CG 4.19Å; F382-P389 HydrophobicContact CB-CG 4.34Å; F382-P389 HydrophobicContact CD1-CB 3.77Å; F382-P389 HydrophobicContact CD1-CG 3.96Å; F382-P389 HydrophobicContact CD2-CB 4.05Å; F382-P389 HydrophobicContact CD2-CG 3.75Å; F382-P389 HydrophobicContact CE1-CB 3.61Å; F382-P389 HydrophobicContact CE1-CG 4.27Å; F382-P389 HydrophobicContact CE2-CB 3.87Å; F382-P389 HydrophobicContact CE2-CG 4.03Å; F382-P389 HydrophobicContact CG-CB 4Å; F382-P389 HydrophobicContact CG-CG 3.71Å; F382-P389 HydrophobicContact CZ-CB 3.66Å; F382-P389 HydrophobicContact CZ-CG 4.3Å
383	D	88.7	Confident	86.8	Confident	42 Å²	42	28.5 Å²	28.5	23%	0.225	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-130.9	89.5	168.5	179.7	-18.2	0	0	0	103.9	D385 W386 K387	D383-D385 PolarHBondContact O-N 3.34Å; D383-W386 HydrophobicContact CB-CZ2 4.43Å; D383-W386 VanDerWaalsContact CB-NE1 3.3Å; D383-W386 VanDerWaalsContact CG-CD1 3.42Å; D383-W386 VanDerWaalsContact CG-NE1 3.26Å; D383-W386 CarbonylContact O-C 3.55Å; D383-W386 PolarHBondContact O-N 2.64Å; D383-W386 PolarHBondContact OD2-NE1 3.1Å; D383-W386 VanDerWaalsContact OD2-NE1 3.08Å; D383-K387 CarbonylContact C-O 3.28Å; D383-K387 CarbonylContact O-C 3.54Å; D383-K387 PolarHBondContact O-N 3.13Å
384	V	88.5	Confident	87.2	Confident	1 Å²	1	24 Å²	24	1%	0.006	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-4.7	-162.7	-65.4	0	0	0	0	114.6	R239 W242 R243 K339 F382 V388	R239-V384 WeakPolarHBondContact CD-O 3.36Å; R239-V384 HydrophobicContact CG-CB 3.86Å; R239-V384 HydrophobicContact CG-CG2 3.54Å; W242-V384 HydrophobicContact CB-CG1 3.96Å; R243-V384 HydrophobicContact CB-CG2 3.99Å; K339-V384 PolarHBondContact NZ-O 2.9Å; F382-V384 HydrophobicContact CB-CG1 4.29Å; V384-V388 WeakPolarHBondContact O-CG2 3.47Å
385	D	86.7	Confident	87.5	Confident	73 Å²	73	24 Å²	24	39%	0.39	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-33.6	168.8	-68.2	-54.3	0	0	0	112	R243 K339 D383	R243-D385 IonicContact CZ-OD1 3.69Å; R243-D385 IonicContact CZ-OD2 2.76Å; R243-D385 VanDerWaalsContact CZ-OD2 3.31Å; R243-D385 IonicContact NE-OD2 2.73Å; R243-D385 PolarHBondContact NE-OD2 3.49Å; R243-D385 IonicContact NH2-OD1 2.77Å; R243-D385 PolarHBondContact NH2-OD1 2.98Å; R243-D385 IonicContact NH2-OD2 3.17Å; R243-D385 PolarHBondContact NH2-OD2 3.27Å; K339-D385 WeakPolarHBondContact CD-O 3.42Å; D383-D385 PolarHBondContact O-N 3.34Å
386	W	90.6	Very high	87.7	Confident	26 Å²	26	21.8 Å²	21.8	10%	0.098	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-40.8	172.7	68.9	-91.3	0	0	0	115.4	I37 P38 Y41 I338 K339 D383	I37-W386 HydrophobicContact CB-CE3 4.35Å; I37-W386 HydrophobicContact CD1-CB 3.92Å; I37-W386 HydrophobicContact CD1-CG 4.45Å; I37-W386 HydrophobicContact CG1-CB 3.87Å; I37-W386 HydrophobicContact CG1-CD2 3.96Å; I37-W386 HydrophobicContact CG1-CE3 4.04Å; I37-W386 HydrophobicContact CG1-CG 3.9Å; I37-W386 HydrophobicContact CG2-CD2 4.42Å; I37-W386 HydrophobicContact CG2-CE3 3.75Å; I37-W386 HydrophobicContact CG2-CZ3 3.93Å; P38-W386 HydrophobicContact CG-CH2 4.18Å; P38-W386 HydrophobicContact CG-CZ2 4.39Å; Y41-W386 HydrophobicContact CD1-CZ3 4.05Å; Y41-W386 HydrophobicContact CD2-CH2 4.03Å; Y41-W386 HydrophobicContact CD2-CZ3 4.1Å; Y41-W386 HydrophobicContact CE2-CH2 4.3Å; Y41-W386 HydrophobicContact CG-CH2 4.17Å; Y41-W386 AromaticContact CG-CZ3 3.76Å; Y41-W386 HydrophobicContact CG-CZ3 3.76Å; I338-W386 CarbonylContact C-O 3.56Å; I338-W386 VanDerWaalsContact CA-O 3.27Å; I338-W386 WeakPolarHBondContact CA-O 3.42Å; I338-W386 HydrophobicContact CD1-CE3 4.22Å; I338-W386 HydrophobicContact CD1-CZ3 4.08Å; I338-W386 HydrophobicContact CG2-CE3 4.24Å; K339-W386 PolarHBondContact N-O 3.39Å; D383-W386 HydrophobicContact CB-CZ2 4.43Å; D383-W386 VanDerWaalsContact CB-NE1 3.3Å; D383-W386 VanDerWaalsContact CG-CD1 3.42Å; D383-W386 VanDerWaalsContact CG-NE1 3.26Å; D383-W386 CarbonylContact O-C 3.55Å; D383-W386 PolarHBondContact O-N 2.64Å; D383-W386 PolarHBondContact OD2-NE1 3.1Å; D383-W386 VanDerWaalsContact OD2-NE1 3.08Å
387	K	91.4	Very high	87.4	Confident	3 Å²	3	23.5 Å²	23.5	1%	0.013	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	95.1	176.8	-173.3	-176	174.1	-159.2	0	111	Y41 S336 I338 E378 A379 N381 F382 D383	Y41-K387 HydrophobicContact CE1-CD 4.14Å; Y41-K387 PolarHBondContact OH-NZ 3.01Å; S336-K387 VanDerWaalsContact OG-CE 3.32Å; S336-K387 WeakPolarHBondContact OG-CE 3.24Å; I338-K387 HydrophobicContact CD1-CB 4Å; I338-K387 HydrophobicContact CD1-CG 3.77Å; E378-K387 PolarHBondContact O-NZ 2.96Å; A379-K387 PolarHBondContact O-NZ 2.94Å; N381-K387 PolarHBondContact O-NZ 2.84Å; F382-K387 HydrophobicContact CD1-CD 4.08Å; F382-K387 HydrophobicContact CD1-CG 4.19Å; D383-K387 CarbonylContact C-O 3.28Å; D383-K387 CarbonylContact O-C 3.54Å; D383-K387 PolarHBondContact O-N 3.13Å
388	V	89.9	Confident	86.8	Confident	10 Å²	10	23.1 Å²	23.1	6%	0.061	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	121.1	176.8	-176.8	0	0	0	0	109.7	I233 S336 Y337 K339 V384 C390	I233-V388 HydrophobicContact CB-CG1 4.04Å; I233-V388 HydrophobicContact CD1-CG1 3.93Å; I233-V388 HydrophobicContact CG1-CG1 4.49Å; I233-V388 HydrophobicContact CG2-CG1 4.21Å; S336-V388 CarbonylContact C-O 3.5Å; S336-V388 WeakPolarHBondContact CA-O 3.39Å; S336-V388 WeakPolarHBondContact CB-O 3.36Å; Y337-V388 PolarHBondContact N-O 3.48Å; Y337-V388 PolarHBondContact O-N 3.13Å; K339-V388 HydrophobicContact CD-CG2 4.05Å; K339-V388 VanDerWaalsContact CE-CG2 3.49Å; V384-V388 WeakPolarHBondContact O-CG2 3.47Å; V388-C390 PolarHBondContact O-SG 3.05Å; V388-C390 VanDerWaalsContact O-SG 3.4Å
389	P	90.5	Very high	86.1	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	140.4	170.8	28.3	-31.1	0	0	0	110.3	C231 I233 W242 F382	C231-P389 WeakPolarHBondContact CB-O 3.46Å; I233-P389 HydrophobicContact CD1-CG 3.75Å; W242-P389 HydrophobicContact CD2-CG 4.37Å; W242-P389 HydrophobicContact CE3-CG 3.81Å; W242-P389 HydrophobicContact CH2-CB 4.36Å; W242-P389 HydrophobicContact CH2-CG 3.73Å; W242-P389 HydrophobicContact CZ2-CG 4.28Å; W242-P389 HydrophobicContact CZ3-CB 4.37Å; W242-P389 HydrophobicContact CZ3-CG 3.48Å; W242-P389 VanDerWaalsContact CZ3-CG 3.48Å; F382-P389 HydrophobicContact CB-CG 4.34Å; F382-P389 HydrophobicContact CD1-CB 3.77Å; F382-P389 HydrophobicContact CD1-CG 3.96Å; F382-P389 HydrophobicContact CD2-CB 4.05Å; F382-P389 HydrophobicContact CD2-CG 3.75Å; F382-P389 HydrophobicContact CE1-CB 3.61Å; F382-P389 HydrophobicContact CE1-CG 4.27Å; F382-P389 HydrophobicContact CE2-CB 3.87Å; F382-P389 HydrophobicContact CE2-CG 4.03Å; F382-P389 HydrophobicContact CG-CB 4Å; F382-P389 HydrophobicContact CG-CG 3.71Å; F382-P389 HydrophobicContact CZ-CB 3.66Å; F382-P389 HydrophobicContact CZ-CG 4.3Å
390	C	85.5	Confident	85	Confident	20 Å²	20	23.3 Å²	23.3	14%	0.135	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	-45.4	-175.7	-58.9	0	0	0	0	113.2	N230 C231 I335 W346 V388	N230-C390 CarbonylContact C-O 3.45Å; N230-C390 WeakPolarHBondContact CA-O 3.29Å; N230-C390 PolarHBondContact OD1-O 2.76Å; C231-C390 PolarHBondContact N-O 3.13Å; I335-C390 PolarHBondContact O-N 3.18Å; W346-C390 HydrophobicContact CH2-CB 3.88Å; W346-C390 HydrophobicContact CZ3-CB 3.49Å; W346-C390 VanDerWaalsContact CZ3-CB 3.49Å; W346-C390 WeakPolarHBondContact CZ3-SG 3.4Å; V388-C390 PolarHBondContact O-SG 3.05Å; V388-C390 VanDerWaalsContact O-SG 3.4Å
391	I	86.4	Confident	84.1	Confident	8 Å²	8	31.1 Å²	31.1	4%	0.041	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	132.7	175.5	-48.9	177.5	0	0	0	110.2	V74 A154 L157 S228 I229 I335	V74-I391 HydrophobicContact CG2-CD1 4.25Å; A154-I391 VanDerWaalsContact O-CD1 3.23Å; A154-I391 WeakPolarHBondContact O-CD1 3.44Å; L157-I391 HydrophobicContact CD1-CB 4.12Å; L157-I391 HydrophobicContact CD1-CD1 4.07Å; L157-I391 HydrophobicContact CD1-CG2 3.6Å; S228-I391 VanDerWaalsContact OG-CG2 3.27Å; S228-I391 WeakPolarHBondContact OG-CG2 3.37Å; I229-I391 CarbonylContact O-C 3.58Å; I229-I391 VanDerWaalsContact O-CA 3.31Å; I229-I391 WeakPolarHBondContact O-CA 3.37Å; I335-I391 HydrophobicContact CB-CB 4.21Å; I335-I391 HydrophobicContact CD1-CB 4.25Å; I335-I391 HydrophobicContact CD1-CD1 4.32Å; I335-I391 HydrophobicContact CG1-CB 4.46Å; I335-I391 PolarHBondContact N-O 3.44Å; I335-I391 PolarHBondContact O-N 2.89Å
392	L	88.7	Confident	83	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.9	174.7	-45.9	169.8	0	0	0	107.7	F187 S228 I229 L278 L331 V334 Y394	F187-L392 HydrophobicContact CE2-CD1 3.89Å; F187-L392 HydrophobicContact CZ-CD1 3.65Å; S228-L392 WeakPolarHBondContact CA-O 3.17Å; I229-L392 HydrophobicContact CB-CB 4.23Å; I229-L392 HydrophobicContact CB-CD1 4.47Å; I229-L392 PolarHBondContact N-O 3.38Å; I229-L392 PolarHBondContact O-N 3.03Å; L278-L392 HydrophobicContact CD1-CD1 3.55Å; L278-L392 HydrophobicContact CD2-CD1 4.18Å; L278-L392 HydrophobicContact CD2-CD2 3.72Å; L331-L392 HydrophobicContact CD1-CB 4.11Å; V334-L392 HydrophobicContact CB-CD2 4.45Å; V334-L392 HydrophobicContact CG1-CD2 4Å; V334-L392 HydrophobicContact CG2-CD2 4.08Å; L392-Y394 HydrophobicContact CB-CD2 4.35Å; L392-Y394 HydrophobicContact CB-CE2 3.98Å
393	L	88.5	Confident	81.9	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	113.4	178.6	-163.5	75.9	0	0	0	110	I82 V86 V226 Q332 A333	I82-L393 HydrophobicContact CG2-CD2 3.52Å; V86-L393 HydrophobicContact CG2-CD2 3.64Å; V226-L393 HydrophobicContact CG1-CD1 3.55Å; V226-L393 HydrophobicContact CG1-CD2 4.33Å; V226-L393 HydrophobicContact CG1-CG 3.91Å; Q332-L393 PolarHBondContact N-O 3.24Å; A333-L393 HydrophobicContact CB-CB 4.03Å; A333-L393 PolarHBondContact N-O 3.43Å; A333-L393 PolarHBondContact O-N 2.85Å
394	Y	89.5	Confident	80.5	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	142	174	-76.2	-91.6	0	0	0	109.5	V226 L227 I229 L278 P279 L282 E330 L331 L392	V226-Y394 CarbonylContact C-O 3.57Å; V226-Y394 WeakPolarHBondContact CA-O 3.43Å; V226-Y394 WeakPolarHBondContact CG1-O 3.46Å; L227-Y394 PolarHBondContact N-O 3.4Å; L227-Y394 PolarHBondContact O-N 3.45Å; I229-Y394 HydrophobicContact CD1-CD2 3.75Å; I229-Y394 HydrophobicContact CD1-CE2 3.78Å; L278-Y394 WeakPolarHBondContact CD1-OH 3.23Å; P279-Y394 PolarHBondContact O-OH 2.91Å; L282-Y394 HydrophobicContact CD1-CD1 3.9Å; L282-Y394 HydrophobicContact CD1-CD2 4.28Å; L282-Y394 HydrophobicContact CD1-CE1 3.67Å; L282-Y394 HydrophobicContact CD1-CE2 4.07Å; L282-Y394 HydrophobicContact CD1-CG 4.2Å; L282-Y394 HydrophobicContact CG-CD1 4.2Å; L282-Y394 HydrophobicContact CG-CE1 3.77Å; E330-Y394 WeakPolarHBondContact O-CA 3.46Å; L331-Y394 HydrophobicContact CB-CD1 4.01Å; L331-Y394 HydrophobicContact CB-CE1 3.64Å; L331-Y394 HydrophobicContact CD1-CD1 4.39Å; L331-Y394 HydrophobicContact CD1-CD2 3.92Å; L331-Y394 HydrophobicContact CD1-CE1 4.05Å; L331-Y394 HydrophobicContact CD1-CE2 3.54Å; L331-Y394 HydrophobicContact CD1-CG 4.33Å; L331-Y394 HydrophobicContact CG-CE1 4.39Å; L392-Y394 HydrophobicContact CB-CD2 4.35Å; L392-Y394 HydrophobicContact CB-CE2 3.98Å
395	S	86.2	Confident	79	Confident	9 Å²	9	40.4 Å²	40.4	6%	0.063	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	154.5	172.3	69.8	0	0	0	0	111.8	D225 Y329 E330 Q332	D225-S395 WeakPolarHBondContact O-CA 3.13Å; Y329-S395 WeakPolarHBondContact CA-O 3.22Å; E330-S395 PolarHBondContact N-O 2.85Å; E330-S395 PolarHBondContact O-N 3.26Å; Q332-S395 WeakPolarHBondContact CG-OG 3.38Å; Q332-S395 PolarHBondContact NE2-OG 3.07Å
396	R	85.3	Confident	77.4	Confident	61 Å²	61	41.9 Å²	41.9	23%	0.23	23%	0.228	C	C	.	.			trans	-61	135.1	170.5	-61.4	179.9	-176.4	-149.2	2.6	110.2	L223 P224 D225 V327 F328 Y329 L399	L223-R396 PolarHBondContact O-NH2 3.1Å; P224-R396 PolarHBondContact O-NE 3.25Å; P224-R396 PolarHBondContact O-NH2 3.26Å; D225-R396 PolarHBondContact O-N 3.05Å; D225-R396 IonicContact OD1-NE 2.68Å; V327-R396 HydrophobicContact CG1-CG 3.63Å; F328-R396 WeakPolarHBondContact O-CA 3.32Å; Y329-R396 HydrophobicContact CD1-CG 4.24Å; Y329-R396 HydrophobicContact CE1-CG 3.98Å; R396-L399 HydrophobicContact CB-CD1 4.21Å; R396-L399 HydrophobicContact CB-CD2 4.12Å; R396-L399 HydrophobicContact CB-CG 3.9Å; R396-L399 WeakPolarHBondContact O-CD1 3.41Å; R396-L399 WeakPolarHBondContact O-CG 3.23Å
397	P	76.1	Confident	75.6	Confident	68 Å²	68	48.4 Å²	48.4	44%	0.442	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	146.6	171.9	29.2	-33	0	0	0	109.9	F328 L399	F328-P397 HydrophobicContact CB-CG 4.39Å; F328-P397 WeakPolarHBondContact O-CD 3.36Å; P397-L399 PolarHBondContact O-N 2.73Å
398	G	71.6	Confident	73.7	Confident	36 Å²	36	53.8 Å²	53.8	37%	0.371	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	11.6	174	0	0	0	0	0	116.4	N400 Q401	G398-N400 PolarHBondContact O-N 2.8Å; G398-Q401 VanDerWaalsContact O-CB 3.31Å; G398-Q401 WeakPolarHBondContact O-CB 3.34Å; G398-Q401 PolarHBondContact O-N 3Å
399	L	71.9	Confident	72	Confident	8 Å²	8	58.5 Å²	58.5	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-49.2	-25.3	-178.5	-81.8	161.9	0	0	0	116.2	P88 D225 V226 R396 P397 Q401 L402 H403	P88-L399 HydrophobicContact CB-CB 4.14Å; P88-L399 HydrophobicContact CG-CB 3.22Å; P88-L399 HydrophobicContact CG-CD1 4.17Å; P88-L399 HydrophobicContact CG-CG 4.29Å; D225-L399 HydrophobicContact CB-CD1 4.49Å; D225-L399 HydrophobicContact CB-CD2 3.67Å; V226-L399 HydrophobicContact CG2-CD1 4.46Å; R396-L399 HydrophobicContact CB-CD1 4.21Å; R396-L399 HydrophobicContact CB-CD2 4.12Å; R396-L399 HydrophobicContact CB-CG 3.9Å; R396-L399 WeakPolarHBondContact O-CD1 3.41Å; R396-L399 WeakPolarHBondContact O-CG 3.23Å; P397-L399 PolarHBondContact O-N 2.73Å; L399-Q401 PolarHBondContact O-N 2.81Å; L399-L402 HydrophobicContact CD2-CD1 3.91Å; L399-L402 PolarHBondContact O-N 2.8Å; L399-L402 VanDerWaalsContact O-N 3.11Å; L399-H403 PolarHBondContact O-N 2.96Å
400	N	65.3	Low	70.3	Confident	50 Å²	50	59.3 Å²	59.3	27%	0.267	30%	0.304	S	S	.	.	H	α-helix	trans	-61.6	-25.6	173.3	-61.6	-25.4	0	0	0	113.5	E87 P88 G398 H403	E87-N400 VanDerWaalsContact CG-ND2 3.27Å; E87-N400 WeakPolarHBondContact CG-ND2 3.5Å; E87-N400 WeakPolarHBondContact CG-OD1 3.27Å; P88-N400 WeakPolarHBondContact CG-OD1 3.32Å; G398-N400 PolarHBondContact O-N 2.8Å; N400-H403 CarbonylContact O-C 3.56Å; N400-H403 VanDerWaalsContact O-C 3.32Å
401	Q	69.4	Low	68.6	Low	163 Å²	163	62.9 Å²	62.9	76%	0.762	33%	0.329	S	S	*	.	H	α-helix	trans	-79.5	-31.9	176.2	-62.2	165.3	-26.5	0	0	110.8	G398 L399	G398-Q401 VanDerWaalsContact O-CB 3.31Å; G398-Q401 WeakPolarHBondContact O-CB 3.34Å; G398-Q401 PolarHBondContact O-N 3Å; L399-Q401 PolarHBondContact O-N 2.81Å
402	L	63.3	Low	66.8	Low	97 Å²	97	68.4 Å²	68.4	51%	0.508	35%	0.354	S	S	.	.	H	α-helix	trans	-75.2	-28.3	173.8	-63.7	170.9	0	0	0	112	L399	L399-L402 HydrophobicContact CD2-CD1 3.91Å; L399-L402 PolarHBondContact O-N 2.8Å; L399-L402 VanDerWaalsContact O-N 3.11Å
403	H	66.5	Low	65	Low	46 Å²	46	75.3 Å²	75.3	21%	0.213	38%	0.381	C	S	.	.	S	Bend	trans	-132.1	79.2	179.3	-57.4	-43.3	0	0	0	111.4	D225 L399 N400	D225-H403 IonicContact OD2-NE2 3.33Å; L399-H403 PolarHBondContact O-N 2.96Å; N400-H403 CarbonylContact O-C 3.56Å; N400-H403 VanDerWaalsContact O-C 3.32Å
404	P	59.2	Low	63.3	Low	99 Å²	99	76.6 Å²	76.6	64%	0.643	39%	0.389	S	S	*	.			trans	-60.8	156	177.4	23.8	-33	0	0	0	112.9	M406	P404-M406 PolarHBondContact O-N 2.83Å
405	D	56	Low	61.3	Low	67 Å²	67	82 Å²	82	36%	0.358	43%	0.427	S	S	.	.			trans	-61.5	126.1	-163.2	-123.9	-40.5	0	0	0	114.1	R91 R407	R91-D405 WeakPolarHBondContact CD-OD1 3.48Å; R91-D405 IonicContact CZ-OD2 2.73Å; R91-D405 IonicContact NE-OD2 3.83Å; R91-D405 IonicContact NH1-OD2 3.07Å; R91-D405 PolarHBondContact NH1-OD2 3.05Å; D405-R407 VanDerWaalsContact OD1-CG 3.32Å; D405-R407 WeakPolarHBondContact OD1-CG 3.44Å; D405-R407 IonicContact OD1-NE 3.39Å; D405-R407 IonicContact OD2-NE 2.65Å
406	M	52.8	Low	59.3	Low	104 Å²	104	86 Å²	86	51%	0.512	45%	0.448	S	S	.	.			trans	-106.9	51.5	168.7	-76.6	-171.4	-80.6	0	0	110.9	S95 P404 K408	S95-M406 WeakPolarHBondContact CB-O 3.11Å; P404-M406 PolarHBondContact O-N 2.83Å; M406-K408 VanDerWaalsContact C-N 3.32Å; M406-K408 PolarHBondContact O-N 3.29Å
407	R	52.7	Low	57.4	Low	163 Å²	163	84.1 Å²	84.1	62%	0.615	44%	0.442	S	S	*	.			trans	-66.3	89.5	176.7	-66.5	-165.9	-170.7	-172.2	3.1	111.6	D405 I409	D405-R407 VanDerWaalsContact OD1-CG 3.32Å; D405-R407 WeakPolarHBondContact OD1-CG 3.44Å; D405-R407 IonicContact OD1-NE 3.39Å; D405-R407 IonicContact OD2-NE 2.65Å; R407-I409 VanDerWaalsContact C-N 3.28Å; R407-I409 PolarHBondContact O-N 2.76Å
408	K	52.6	Low	55.6	Low	116 Å²	116	85.7 Å²	85.7	50%	0.504	45%	0.454	S	S	.	.			trans	-67.3	94.1	150.8	-83	-156.8	172.7	-164.3	0	108.1	M406 E412	M406-K408 VanDerWaalsContact C-N 3.32Å; M406-K408 PolarHBondContact O-N 3.29Å; K408-E412 IonicContact NZ-OE1 3.19Å; K408-E412 PolarHBondContact NZ-OE1 3.46Å
409	I	53.4	Low	54.2	Low	110 Å²	110	84.8 Å²	84.8	56%	0.564	44%	0.442	S	S	*	.			trans	-50.9	146.2	147.5	-61.1	174.3	0	0	0	106.6	R407 S411	R407-I409 VanDerWaalsContact C-N 3.28Å; R407-I409 PolarHBondContact O-N 2.76Å; I409-S411 PolarHBondContact O-N 3.12Å
410	I	56.3	Low	52.7	Low	16 Å²	16	87.6 Å²	87.6	8%	0.082	47%	0.466	C	S	.	.	S	Bend	trans	-72.1	72.7	170.9	-45.4	-166.1	0	0	0	108.6	L97 L478 R481 Y482	L97-I410 HydrophobicContact CD1-CD1 3.62Å; L97-I410 HydrophobicContact CD1-CG1 3.5Å; I410-L478 HydrophobicContact CD1-CD2 4.11Å; I410-R481 HydrophobicContact CD1-CB 4.38Å; I410-R481 HydrophobicContact CD1-CG 3.67Å; I410-Y482 HydrophobicContact CB-CD2 4.41Å; I410-Y482 HydrophobicContact CG2-CD2 4.21Å; I410-Y482 VanDerWaalsContact O-CD2 3.24Å; I410-Y482 WeakPolarHBondContact O-CD2 3.31Å; I410-Y482 WeakPolarHBondContact O-CE2 3.39Å
411	S	49.4	Very low	51.4	Low	96 Å²	96	90.1 Å²	90.1	67%	0.671	48%	0.475	S	S	*	.			trans	-85.6	-22.4	173.3	56.6	0	0	0	0	111.9	I409 R413	I409-S411 PolarHBondContact O-N 3.12Å; S411-R413 PolarHBondContact O-N 2.84Å
412	E	47.9	Very low	49.9	Very low	123 Å²	123	83.4 Å²	83.4	58%	0.575	45%	0.448	S	S	*	.	S	Bend	trans	-71.2	100.8	174.3	-77.7	173.8	-134.1	0	0	110.4	K408 P414	K408-E412 IonicContact NZ-OE1 3.19Å; K408-E412 PolarHBondContact NZ-OE1 3.46Å; E412-P414 WeakPolarHBondContact O-CD 3.23Å; E412-P414 VanDerWaalsContact O-N 3.13Å
413	R	50.9	Low	48.8	Very low	146 Å²	146	88.5 Å²	88.5	55%	0.551	46%	0.46	S	S	*	.			trans	-36.1	110	169.5	-150.5	179.6	-170.5	136.1	0.4	110.4	S411 S415 P424 S425 L427	S411-R413 PolarHBondContact O-N 2.84Å; R413-S415 PolarHBondContact O-N 2.9Å; R413-P424 PolarHBondContact NH2-O 2.83Å; R413-S425 PolarHBondContact NH2-O 2.68Å; R413-S425 VanDerWaalsContact NH2-O 3.12Å; R413-L427 HydrophobicContact CG-CD1 3.68Å
414	P	53.4	Low	47.7	Very low	30 Å²	30	92 Å²	92	20%	0.195	49%	0.487	C	S	.	.			trans	-65.5	114.2	174.8	-17.2	30.6	0	0	0	107.6	E412 N416 I417	E412-P414 WeakPolarHBondContact O-CD 3.23Å; E412-P414 VanDerWaalsContact O-N 3.13Å; P414-N416 PolarHBondContact O-N 3.45Å; P414-I417 HydrophobicContact CB-CD1 4.23Å; P414-I417 HydrophobicContact CB-CG1 4.03Å; P414-I417 HydrophobicContact CG-CD1 3.96Å; P414-I417 HydrophobicContact CG-CG1 4.32Å; P414-I417 PolarHBondContact O-N 2.84Å
415	S	47.7	Very low	47.3	Very low	114 Å²	114	91.1 Å²	91.1	80%	0.797	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-8.8	-167.4	49.7	0	0	0	0	115.4	R413	R413-S415 PolarHBondContact O-N 2.9Å
416	N	44.4	Very low	47.3	Very low	94 Å²	94	91.8 Å²	91.8	50%	0.503	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	20	-169.8	-50.6	18.5	0	0	0	112	P414 S418 K479	P414-N416 PolarHBondContact O-N 3.45Å; N416-S418 PolarHBondContact O-N 2.81Å; N416-K479 WeakPolarHBondContact O-CE 3.47Å; N416-K479 PolarHBondContact O-NZ 3.14Å
417	I	44.7	Very low	47.9	Very low	21 Å²	21	88.9 Å²	88.9	11%	0.108	48%	0.478	C	S	.	.			trans	-75.9	84.3	165.2	-51.4	179.8	0	0	0	107.7	L11 P414 T419 L427 K479 Y482	L11-I417 HydrophobicContact CD1-CG2 4.41Å; P414-I417 HydrophobicContact CB-CD1 4.23Å; P414-I417 HydrophobicContact CB-CG1 4.03Å; P414-I417 HydrophobicContact CG-CD1 3.96Å; P414-I417 HydrophobicContact CG-CG1 4.32Å; P414-I417 PolarHBondContact O-N 2.84Å; I417-T419 VanDerWaalsContact C-N 3.32Å; I417-T419 HydrophobicContact CG2-CG2 3.63Å; I417-T419 PolarHBondContact O-N 2.83Å; I417-L427 HydrophobicContact CB-CD2 4.44Å; I417-L427 HydrophobicContact CD1-CD2 4.36Å; I417-L427 HydrophobicContact CG2-CD2 4.4Å; I417-K479 HydrophobicContact CG1-CB 4.48Å; I417-K479 HydrophobicContact CG1-CD 4.3Å; I417-K479 HydrophobicContact CG1-CG 3.97Å; I417-Y482 HydrophobicContact CD1-CD1 3.95Å; I417-Y482 HydrophobicContact CD1-CE1 4.37Å
418	S	39.4	Very low	48.8	Very low	100 Å²	100	81.8 Å²	81.8	70%	0.699	45%	0.453	S	S	*	.			trans	-68.5	94.1	165	-65.6	0	0	0	0	108.6	N416 A420	N416-S418 PolarHBondContact O-N 2.81Å; S418-A420 PolarHBondContact O-N 2.97Å
419	T	42	Very low	50.1	Low	17 Å²	17	77.5 Å²	77.5	10%	0.104	44%	0.442	C	S	.	.			trans	-78.7	95.2	174	47.9	0	0	0	0	109.2	V9 I417 F421 A422 L427	V9-T419 HydrophobicContact CB-CG2 4.48Å; V9-T419 HydrophobicContact CG1-CG2 3.77Å; V9-T419 HydrophobicContact CG2-CG2 3.89Å; I417-T419 VanDerWaalsContact C-N 3.32Å; I417-T419 HydrophobicContact CG2-CG2 3.63Å; I417-T419 PolarHBondContact O-N 2.83Å; T419-F421 PolarHBondContact O-N 3.44Å; T419-A422 HydrophobicContact CG2-CB 4.39Å; T419-A422 PolarHBondContact O-N 2.84Å; T419-A422 PolarHBondContact OG1-O 3.37Å; T419-L427 HydrophobicContact CG2-CD2 4.09Å
420	A	39.2	Very low	51.5	Low	68 Å²	68	81.8 Å²	81.8	56%	0.562	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-22.9	-170.9	0	0	0	0	0	115.7	L10 S418	L10-A420 HydrophobicContact CB-CB 4.44Å; S418-A420 PolarHBondContact O-N 2.97Å
421	F	39	Very low	52.9	Low	102 Å²	102	85 Å²	85	45%	0.447	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	-9.1	-178	-68.4	-81.9	0	0	0	115.8	P7 A8 T419	P7-F421 HydrophobicContact CB-CB 3.94Å; P7-F421 HydrophobicContact CB-CD1 4.39Å; P7-F421 HydrophobicContact CB-CG 4.46Å; P7-F421 HydrophobicContact CG-CB 4.09Å; P7-F421 WeakPolarHBondContact CG-O 3.44Å; A8-F421 VanDerWaalsContact O-CB 3.28Å; A8-F421 WeakPolarHBondContact O-CB 3.43Å; A8-F421 WeakPolarHBondContact O-CD2 3.49Å; A8-F421 WeakPolarHBondContact O-CG 3.22Å; T419-F421 PolarHBondContact O-N 3.44Å
422	A	37	Very low	54.6	Low	23 Å²	23	84.4 Å²	84.4	19%	0.19	46%	0.458	C	S	.	.	S	Bend	trans	-92	132.7	175.5	0	0	0	0	0	109.7	V9 T419 C426	V9-A422 HydrophobicContact CG2-CB 3.82Å; T419-A422 HydrophobicContact CG2-CB 4.39Å; T419-A422 PolarHBondContact O-N 2.84Å; T419-A422 PolarHBondContact OG1-O 3.37Å; A422-C426 VanDerWaalsContact CB-O 3.32Å; A422-C426 WeakPolarHBondContact CB-O 3.42Å
423	R	41.2	Very low	56.3	Low	204 Å²	204	81.7 Å²	81.7	77%	0.77	45%	0.447	S	S	*	.			trans	-49.9	135.2	166.7	-71.6	-177.3	177	176.4	-1.1	108	S425 C426	R423-S425 PolarHBondContact O-N 3.16Å; R423-C426 PolarHBondContact O-N 3.09Å
424	P	42.5	Very low	57.9	Low	118 Å²	118	75.1 Å²	75.1	77%	0.766	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-19.8	-172.3	-30.3	35.1	0	0	0	116	R413	R413-P424 PolarHBondContact NH2-O 2.83Å
425	S	50.8	Low	59.2	Low	82 Å²	82	73.9 Å²	73.9	57%	0.573	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-33.1	174	52.4	0	0	0	0	115	R413 R423	R413-S425 PolarHBondContact NH2-O 2.68Å; R413-S425 VanDerWaalsContact NH2-O 3.12Å; R423-S425 PolarHBondContact O-N 3.16Å
426	C	56	Low	60.6	Low	80 Å²	80	68.7 Å²	68.7	54%	0.541	38%	0.378	S	S	.	.			trans	-115.7	103.3	-165.3	-60.1	0	0	0	0	111.7	A422 R423	A422-C426 VanDerWaalsContact CB-O 3.32Å; A422-C426 WeakPolarHBondContact CB-O 3.42Å; R423-C426 PolarHBondContact O-N 3.09Å
427	L	65	Low	61.6	Low	44 Å²	44	65.7 Å²	65.7	23%	0.23	36%	0.362	C	S	.	.			trans	-85.2	152.1	172.4	-74.5	168.6	0	0	0	111	R413 I417 T419 G429 Y482	R413-L427 HydrophobicContact CG-CD1 3.68Å; I417-L427 HydrophobicContact CB-CD2 4.44Å; I417-L427 HydrophobicContact CD1-CD2 4.36Å; I417-L427 HydrophobicContact CG2-CD2 4.4Å; T419-L427 HydrophobicContact CG2-CD2 4.09Å; L427-G429 PolarHBondContact O-N 2.95Å; L427-Y482 HydrophobicContact CD1-CE1 4.26Å
428	P	71.9	Confident	62.2	Low	13 Å²	13	64.9 Å²	64.9	8%	0.084	36%	0.359	C	S	.	.			trans	-59.2	132	173	-22.3	33.7	0	0	0	111.7	V9 D432 V434 L483 V488	V9-P428 HydrophobicContact CG2-CG 4.44Å; P428-D432 WeakPolarHBondContact CA-OD2 3.39Å; P428-D432 HydrophobicContact CB-CB 4.14Å; P428-V434 HydrophobicContact CB-CG2 3.9Å; P428-V434 HydrophobicContact CG-CG2 3.79Å; P428-L483 HydrophobicContact CB-CD2 4.22Å; P428-L483 HydrophobicContact CG-CD2 4.21Å; P428-V488 HydrophobicContact CB-CG2 3.87Å
429	G	80	Confident	62.8	Low	26 Å²	26	61.8 Å²	61.8	27%	0.268	33%	0.333	S	S	.	.			trans	-105.7	-161.1	176.6	0	0	0	0	0	113.1	L427 D432 V488	L427-G429 PolarHBondContact O-N 2.95Å; G429-D432 PolarHBondContact N-OD2 2.94Å; G429-D432 PolarHBondContact O-N 3.27Å; G429-V488 VanDerWaalsContact O-CG2 3.24Å; G429-V488 WeakPolarHBondContact O-CG2 3.06Å
430	R	83.2	Confident	63.2	Low	201 Å²	201	62.2 Å²	62.2	76%	0.758	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	136.7	178.5	-166.7	-172.8	173.2	146.5	4.1	110.8	D432 M486	R430-D432 PolarHBondContact O-N 3.07Å; R430-D432 VanDerWaalsContact O-N 3.09Å; R430-M486 WeakPolarHBondContact CA-O 3.21Å; R430-M486 WeakPolarHBondContact CB-O 3.46Å; R430-M486 PolarHBondContact N-O 3.03Å
431	D	85	Confident	63.5	Low	82 Å²	82	61.2 Å²	61.2	44%	0.439	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	-4.4	-179.4	-66.6	-77.4	0	0	0	116.2	G487 K489	D431-G487 PolarHBondContact N-O 2.79Å; D431-K489 WeakPolarHBondContact OD1-CE 3.49Å; D431-K489 IonicContact OD1-NZ 3.67Å; D431-K489 PolarHBondContact OD1-NZ 2.89Å
432	D	85.5	Confident	63.8	Low	84 Å²	84	59.9 Å²	59.9	45%	0.449	32%	0.321	S	S	.	.			trans	-62.2	145.3	171	-79.4	-24.8	0	0	0	111.2	P428 G429 R430 V488 K489	P428-D432 WeakPolarHBondContact CA-OD2 3.39Å; P428-D432 HydrophobicContact CB-CB 4.14Å; G429-D432 PolarHBondContact N-OD2 2.94Å; G429-D432 PolarHBondContact O-N 3.27Å; R430-D432 PolarHBondContact O-N 3.07Å; R430-D432 VanDerWaalsContact O-N 3.09Å; D432-V488 WeakPolarHBondContact O-CG1 3.47Å; D432-K489 PolarHBondContact O-N 2.94Å
433	L	84	Confident	64.3	Low	67 Å²	67	65.4 Å²	65.4	35%	0.351	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	128.7	177.8	-61.8	168.7	0	0	0	110.9	K489 V491 I511 Y557	L433-K489 WeakPolarHBondContact CA-O 3.45Å; L433-K489 HydrophobicContact CD2-CB 3.98Å; L433-V491 HydrophobicContact CB-CG2 4.48Å; L433-V491 HydrophobicContact CD2-CG2 3.79Å; L433-I511 HydrophobicContact CD2-CD1 3.77Å; L433-Y557 HydrophobicContact CD1-CD1 4.29Å; L433-Y557 HydrophobicContact CD1-CE1 3.84Å; L433-Y557 HydrophobicContact CD2-CD1 4.47Å; L433-Y557 HydrophobicContact CD2-CE1 3.81Å
434	V	83.6	Confident	64.7	Low	8 Å²	8	61.5 Å²	61.5	5%	0.048	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.1	169.4	169.6	0	0	0	0	108.5	P428 V488 K489 F490 V491	P428-V434 HydrophobicContact CB-CG2 3.9Å; P428-V434 HydrophobicContact CG-CG2 3.79Å; V434-V488 HydrophobicContact CB-CG1 3.73Å; V434-V488 HydrophobicContact CG2-CG1 3.44Å; V434-V488 VanDerWaalsContact CG2-CG1 3.44Å; V434-K489 PolarHBondContact N-O 3.33Å; V434-F490 CarbonylContact O-C 3.5Å; V434-F490 WeakPolarHBondContact O-CA 3.04Å; V434-V491 PolarHBondContact O-N 3.41Å
435	A	81.6	Confident	65.1	Low	3 Å²	3	64.3 Å²	64.3	3%	0.025	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	132.3	172.9	0	0	0	0	0	109.2	V9 V491 A550 L554	V9-A435 PolarHBondContact O-N 3.45Å; A435-V491 WeakPolarHBondContact CA-O 3.41Å; A435-A550 HydrophobicContact CB-CB 4.32Å; A435-L554 HydrophobicContact CB-CB 4.06Å; A435-L554 HydrophobicContact CB-CD2 4.48Å
436	I	76.7	Confident	65.4	Low	5 Å²	5	62.4 Å²	62.4	3%	0.026	33%	0.326	C	S	.	.			trans	-138.1	135.4	-179.5	-170.6	168.8	0	0	0	110.9	A438 L480 F490 V491 L495	I436-A438 HydrophobicContact CD1-CB 3.8Å; I436-A438 HydrophobicContact CG1-CB 3.61Å; I436-L480 HydrophobicContact CD1-CD2 3.45Å; I436-L480 VanDerWaalsContact CD1-CD2 3.45Å; I436-F490 HydrophobicContact CD1-CD1 4.47Å; I436-F490 HydrophobicContact CG2-CB 4.05Å; I436-F490 HydrophobicContact CG2-CD1 3.99Å; I436-F490 HydrophobicContact CG2-CG 4.48Å; I436-V491 PolarHBondContact N-O 2.91Å; I436-L495 HydrophobicContact CG2-CD1 4.15Å; I436-L495 HydrophobicContact CG2-CD2 3.79Å
437	D	64.4	Low	65.6	Low	31 Å²	31	63.4 Å²	63.4	17%	0.166	34%	0.335	C	S	.	.			trans	-139.8	110.6	161.4	-171.6	25.8	0	0	0	106.7	S546 D549 A550	D437-S546 WeakPolarHBondContact OD2-CB 3.27Å; D437-D549 VanDerWaalsContact OD2-CB 3.26Å; D437-D549 WeakPolarHBondContact OD2-CB 3.42Å; D437-A550 HydrophobicContact CB-CB 4.07Å
438	A	57.3	Low	65.6	Low	5 Å²	5	66.3 Å²	66.3	4%	0.041	35%	0.35	C	S	.	.			trans	-150.6	94.3	-159.9	0	0	0	0	0	111.3	I436 F440	I436-A438 HydrophobicContact CD1-CB 3.8Å; I436-A438 HydrophobicContact CG1-CB 3.61Å; A438-F440 HydrophobicContact CB-CE2 3.64Å; A438-F440 HydrophobicContact CB-CZ 4.24Å; A438-F440 WeakPolarHBondContact O-CD2 3.43Å; A438-F440 WeakPolarHBondContact O-CE2 3.16Å
439	E	52.8	Low	65.4	Low	34 Å²	34	69.2 Å²	69.2	16%	0.159	36%	0.36	C	S	.	.			trans	-99.3	162.9	174.8	-174.1	-134.3	-6.8	0	0	104.8	V13 G14 L15	V13-E439 VanDerWaalsContact C-C 3.42Å; V13-E439 CarbonylContact C-O 3.55Å; V13-E439 WeakPolarHBondContact CA-O 3.28Å; V13-E439 WeakPolarHBondContact CB-O 3.32Å; V13-E439 CarbonylContact O-C 3.45Å; V13-E439 PolarHBondContact O-N 3.12Å; G14-E439 VanDerWaalsContact CA-CD 3.42Å; G14-E439 WeakPolarHBondContact CA-OE1 3.5Å; G14-E439 VanDerWaalsContact N-C 3.31Å; G14-E439 PolarHBondContact N-O 2.89Å; G14-E439 CarbonylContact O-C 3.57Å; L15-E439 VanDerWaalsContact C-OE2 3.27Å; L15-E439 HydrophobicContact CB-CG 4.19Å; L15-E439 PolarHBondContact N-OE2 2.89Å; L15-E439 WeakPolarHBondContact O-CG 3.46Å
440	F	50.8	Low	64.8	Low	26 Å²	26	69.2 Å²	69.2	11%	0.114	36%	0.355	C	S	.	.			trans	-145.3	104.6	-160.8	-83.2	-98	0	0	0	120.7	G14 L15 A438 A476 L480 V501 I502	G14-F440 CarbonylContact O-C 2.74Å; G14-F440 WeakPolarHBondContact O-CA 3.38Å; G14-F440 PolarHBondContact O-N 2.8Å; L15-F440 HydrophobicContact CB-CB 4.47Å; L15-F440 VanDerWaalsContact CB-O 3.28Å; L15-F440 WeakPolarHBondContact CB-O 3.25Å; L15-F440 HydrophobicContact CD1-CB 4.49Å; L15-F440 WeakPolarHBondContact CD1-O 3.45Å; A438-F440 HydrophobicContact CB-CE2 3.64Å; A438-F440 HydrophobicContact CB-CZ 4.24Å; A438-F440 WeakPolarHBondContact O-CD2 3.43Å; A438-F440 WeakPolarHBondContact O-CE2 3.16Å; F440-A476 HydrophobicContact CE1-CB 3.65Å; F440-A476 HydrophobicContact CZ-CB 4.38Å; F440-L480 HydrophobicContact CZ-CD1 4.24Å; F440-V501 HydrophobicContact CB-CG1 4.17Å; F440-I502 HydrophobicContact CD2-CB 4.49Å; F440-I502 HydrophobicContact CD2-CD1 4.17Å; F440-I502 HydrophobicContact CD2-CG1 3.33Å; F440-I502 HydrophobicContact CE1-CG1 4.47Å; F440-I502 HydrophobicContact CE2-CB 4.44Å; F440-I502 HydrophobicContact CE2-CD1 3.57Å; F440-I502 HydrophobicContact CE2-CG1 3.11Å; F440-I502 HydrophobicContact CG-CG1 4.19Å; F440-I502 HydrophobicContact CZ-CD1 4.21Å; F440-I502 HydrophobicContact CZ-CG1 3.75Å
441	V	45.5	Very low	64.3	Low	47 Å²	47	61.8 Å²	61.8	29%	0.285	33%	0.332	S	S	.	.			trans	-79.9	139.7	-169.4	-153.8	0	0	0	0	113.2	G14 I446 I456 L461	G14-V441 WeakPolarHBondContact O-CA 3.09Å; G14-V441 WeakPolarHBondContact O-CG2 3.25Å; G14-V441 PolarHBondContact O-N 3.41Å; V441-I446 HydrophobicContact CG1-CD1 3.67Å; V441-I446 HydrophobicContact CG1-CG1 4.33Å; V441-I456 HydrophobicContact CG2-CD1 3.41Å; V441-I456 VanDerWaalsContact CG2-CD1 3.41Å; V441-L461 HydrophobicContact CB-CD1 3.86Å; V441-L461 HydrophobicContact CB-CD2 4.06Å; V441-L461 HydrophobicContact CG1-CD1 3.51Å; V441-L461 HydrophobicContact CG2-CD1 3.78Å; V441-L461 HydrophobicContact CG2-CD2 3.73Å; V441-L461 HydrophobicContact CG2-CG 4.4Å
442	T	44.8	Very low	63.5	Low	75 Å²	75	65 Å²	65	46%	0.46	34%	0.342	S	S	.	.			trans	-99.9	134	170	54.5	0	0	0	0	110.6	N444	T442-N444 PolarHBondContact O-N 2.86Å
443	L	47.4	Very low	62.5	Low	139 Å²	139	66.5 Å²	66.5	73%	0.728	35%	0.345	S	S	*	.	S	Bend	trans	-72.8	16.5	179.5	-69.7	170	0	0	0	114.3	L461	L443-L461 HydrophobicContact CD2-CB 4.5Å; L443-L461 WeakPolarHBondContact CD2-O 3.23Å
444	N	50.4	Low	61.7	Low	122 Å²	122	63.8 Å²	63.8	65%	0.652	33%	0.331	S	S	*	.	S	Bend	trans	-73.6	170.5	167.4	-67.3	-17.2	0	0	0	108.9	T442 I446	T442-N444 PolarHBondContact O-N 2.86Å; N444-I446 WeakPolarHBondContact O-CG1 3.4Å; N444-I446 PolarHBondContact O-N 2.95Å
445	H	49.9	Very low	61.1	Low	176 Å²	176	64.2 Å²	64.2	82%	0.815	34%	0.338	S	S	*	.			trans	-53.7	107.2	178.5	177.9	-71.9	0	0	0	111.9	S447	H445-S447 PolarHBondContact O-N 2.74Å
446	I	57.1	Low	60.5	Low	42 Å²	42	65.1 Å²	65.1	22%	0.215	34%	0.342	C	S	.	.			trans	-78.3	108.1	179.4	-58.7	175	0	0	0	108.1	V441 N444 D448 Y449 L461	V441-I446 HydrophobicContact CG1-CD1 3.67Å; V441-I446 HydrophobicContact CG1-CG1 4.33Å; N444-I446 WeakPolarHBondContact O-CG1 3.4Å; N444-I446 PolarHBondContact O-N 2.95Å; I446-D448 VanDerWaalsContact CG2-O 3.22Å; I446-D448 WeakPolarHBondContact CG2-O 3.42Å; I446-Y449 HydrophobicContact CB-CE2 4.24Å; I446-Y449 HydrophobicContact CD1-CE1 3.97Å; I446-Y449 HydrophobicContact CG2-CD1 4.32Å; I446-Y449 HydrophobicContact CG2-CD2 3.85Å; I446-Y449 HydrophobicContact CG2-CE1 4.38Å; I446-Y449 HydrophobicContact CG2-CE2 3.9Å; I446-Y449 HydrophobicContact CG2-CG 4.05Å; I446-L461 HydrophobicContact CD1-CD1 3.3Å
447	S	60.4	Low	60.5	Low	102 Å²	102	70.5 Å²	70.5	71%	0.713	37%	0.365	S	S	*	.	S	Bend	trans	-75.6	-27.2	176.9	52.5	0	0	0	0	113.4	H445	H445-S447 PolarHBondContact O-N 2.74Å
448	D	65.5	Low	60.9	Low	105 Å²	105	73.7 Å²	73.7	56%	0.561	39%	0.387	S	S	*	.			trans	-152.2	133.3	175.1	-173.7	0.5	0	0	0	109.1	I446 V450	I446-D448 VanDerWaalsContact CG2-O 3.22Å; I446-D448 WeakPolarHBondContact CG2-O 3.42Å; D448-V450 PolarHBondContact OD1-N 2.87Å
449	Y	66.5	Low	61.5	Low	74 Å²	74	74.8 Å²	74.8	29%	0.29	40%	0.4	S	S	.	.			trans	-83.6	-16.4	176.7	-74.7	-100.7	0	0	0	112.4	I446 T451 S454 I456 P458 L461	I446-Y449 HydrophobicContact CB-CE2 4.24Å; I446-Y449 HydrophobicContact CD1-CE1 3.97Å; I446-Y449 HydrophobicContact CG2-CD1 4.32Å; I446-Y449 HydrophobicContact CG2-CD2 3.85Å; I446-Y449 HydrophobicContact CG2-CE1 4.38Å; I446-Y449 HydrophobicContact CG2-CE2 3.9Å; I446-Y449 HydrophobicContact CG2-CG 4.05Å; Y449-T451 PolarHBondContact O-N 2.73Å; Y449-T451 VanDerWaalsContact O-N 3.12Å; Y449-S454 PolarHBondContact O-OG 3.34Å; Y449-I456 HydrophobicContact CD1-CG2 4.2Å; Y449-P458 HydrophobicContact CD2-CG 4.17Å; Y449-P458 HydrophobicContact CE2-CB 4.39Å; Y449-P458 HydrophobicContact CE2-CG 4.18Å; Y449-P458 HydrophobicContact CG-CG 4.44Å; Y449-L461 HydrophobicContact CD1-CD1 4.37Å; Y449-L461 HydrophobicContact CE1-CD1 3.98Å
450	V	68.5	Low	62.4	Low	26 Å²	26	75.7 Å²	75.7	16%	0.158	41%	0.406	C	S	.	.			trans	52.9	30.6	-179.6	-128.5	0	0	0	0	113.4	H16 D448 K452 F453 S454	H16-V450 HydrophobicContact CB-CG2 3.83Å; D448-V450 PolarHBondContact OD1-N 2.87Å; V450-K452 PolarHBondContact O-N 2.96Å; V450-F453 HydrophobicContact CG1-CD2 3.97Å; V450-F453 PolarHBondContact O-N 3.21Å; V450-S454 PolarHBondContact O-N 2.84Å; V450-S454 PolarHBondContact O-OG 2.99Å
451	T	72.5	Confident	63.3	Low	45 Å²	45	75.5 Å²	75.5	28%	0.276	41%	0.406	S	S	.	.	H	α-helix	trans	-45.2	-30.9	-166.9	-51	0	0	0	0	115.9	Y449 F453 S454 G455 I456 K457 T543	Y449-T451 PolarHBondContact O-N 2.73Å; Y449-T451 VanDerWaalsContact O-N 3.12Å; T451-F453 VanDerWaalsContact C-N 3.31Å; T451-F453 PolarHBondContact O-N 2.78Å; T451-S454 WeakPolarHBondContact CA-OG 3.5Å; T451-G455 VanDerWaalsContact O-CA 3.24Å; T451-G455 WeakPolarHBondContact O-CA 3.15Å; T451-G455 PolarHBondContact O-N 3.22Å; T451-I456 WeakPolarHBondContact CA-O 3.24Å; T451-I456 VanDerWaalsContact CB-O 3.29Å; T451-I456 WeakPolarHBondContact CB-O 3.24Å; T451-I456 VanDerWaalsContact CG2-O 3.28Å; T451-I456 WeakPolarHBondContact CG2-O 3.33Å; T451-I456 PolarHBondContact OG1-O 2.9Å; T451-K457 HydrophobicContact CG2-CG 3.93Å; T451-T543 HydrophobicContact CG2-CG2 4.46Å
452	K	68	Low	64.3	Low	148 Å²	148	76.2 Å²	76.2	64%	0.643	41%	0.408	S	S	*	.	H	α-helix	trans	-60.7	-39.7	175.4	-177.8	175.6	179	176.7	0	112.5	V450 H544	V450-K452 PolarHBondContact O-N 2.96Å; K452-H544 PolarHBondContact O-CD2 3.09Å; K452-H544 VanDerWaalsContact O-CD2 3.3Å; K452-H544 PolarHBondContact O-N 3.46Å
453	F	64.9	Low	65.4	Low	116 Å²	116	77.7 Å²	77.7	51%	0.509	42%	0.419	S	S	.	.	H	α-helix	trans	-102.3	-24.5	-173.9	-54.9	-79	0	0	0	113.3	V450 T451 H544	V450-F453 HydrophobicContact CG1-CD2 3.97Å; V450-F453 PolarHBondContact O-N 3.21Å; T451-F453 VanDerWaalsContact C-N 3.31Å; T451-F453 PolarHBondContact O-N 2.78Å; F453-H544 WeakPolarHBondContact O-CB 3.5Å
454	S	67.2	Low	66.4	Low	10 Å²	10	76.1 Å²	76.1	7%	0.07	42%	0.415	C	S	.	.	H	α-helix	trans	-97.6	-22	178.1	63.7	0	0	0	0	113.8	Y449 V450 T451 I456	Y449-S454 PolarHBondContact O-OG 3.34Å; V450-S454 PolarHBondContact O-N 2.84Å; V450-S454 PolarHBondContact O-OG 2.99Å; T451-S454 WeakPolarHBondContact CA-OG 3.5Å; S454-I456 PolarHBondContact O-N 2.85Å; S454-I456 VanDerWaalsContact O-N 3.17Å; S454-I456 PolarHBondContact OG-N 2.85Å
455	G	70	Confident	67.3	Low	18 Å²	18	77.4 Å²	77.4	19%	0.186	42%	0.415	C	S	.	.			trans	70.9	-6.4	-167.7	0	0	0	0	0	115	T451	T451-G455 VanDerWaalsContact O-CA 3.24Å; T451-G455 WeakPolarHBondContact O-CA 3.15Å; T451-G455 PolarHBondContact O-N 3.22Å
456	I	70.8	Confident	68	Low	22 Å²	22	70.2 Å²	70.2	11%	0.113	39%	0.386	C	S	.	.			trans	-83.4	129.7	-173.6	-55.8	-177.5	0	0	0	110.9	V441 Y449 T451 S454 D460 L461	V441-I456 HydrophobicContact CG2-CD1 3.41Å; V441-I456 VanDerWaalsContact CG2-CD1 3.41Å; Y449-I456 HydrophobicContact CD1-CG2 4.2Å; T451-I456 WeakPolarHBondContact CA-O 3.24Å; T451-I456 VanDerWaalsContact CB-O 3.29Å; T451-I456 WeakPolarHBondContact CB-O 3.24Å; T451-I456 VanDerWaalsContact CG2-O 3.28Å; T451-I456 WeakPolarHBondContact CG2-O 3.33Å; T451-I456 PolarHBondContact OG1-O 2.9Å; S454-I456 PolarHBondContact O-N 2.85Å; S454-I456 VanDerWaalsContact O-N 3.17Å; S454-I456 PolarHBondContact OG-N 2.85Å; I456-D460 HydrophobicContact CG2-CB 3.91Å; I456-L461 HydrophobicContact CG2-CD1 4.01Å; I456-L461 HydrophobicContact CG2-CD2 4.2Å; I456-L461 HydrophobicContact CG2-CG 3.96Å
457	K	75.8	Confident	68.4	Low	117 Å²	117	75.7 Å²	75.7	51%	0.509	42%	0.416	S	S	.	.			trans	-105.6	157.5	-179.3	-61.2	172.4	-172.7	172.4	0	111.5	T451 G459 D460	T451-K457 HydrophobicContact CG2-CG 3.93Å; K457-G459 PolarHBondContact O-N 2.85Å; K457-D460 PolarHBondContact N-OD2 2.78Å; K457-D460 WeakPolarHBondContact O-CB 3.24Å; K457-D460 PolarHBondContact O-N 2.86Å; K457-D460 VanDerWaalsContact O-N 3.14Å
458	P	72.9	Confident	68.6	Low	98 Å²	98	78.6 Å²	78.6	64%	0.636	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	128.4	165.6	-23.4	34.4	0	0	0	110.5	Y449	Y449-P458 HydrophobicContact CD2-CG 4.17Å; Y449-P458 HydrophobicContact CE2-CB 4.39Å; Y449-P458 HydrophobicContact CE2-CG 4.18Å; Y449-P458 HydrophobicContact CG-CG 4.44Å
459	G	70.9	Confident	68.5	Low	29 Å²	29	79.5 Å²	79.5	30%	0.299	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.9	-32.5	-174.2	0	0	0	0	0	114.4	K457 L461 D462	K457-G459 PolarHBondContact O-N 2.85Å; G459-L461 PolarHBondContact O-N 2.92Å; G459-D462 PolarHBondContact O-N 3.28Å
460	D	70.7	Confident	68.4	Low	53 Å²	53	79.9 Å²	79.9	28%	0.283	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-14.6	-178	-70.9	-7.1	0	0	0	114.1	I456 K457 A466	I456-D460 HydrophobicContact CG2-CB 3.91Å; K457-D460 PolarHBondContact N-OD2 2.78Å; K457-D460 WeakPolarHBondContact O-CB 3.24Å; K457-D460 PolarHBondContact O-N 2.86Å; K457-D460 VanDerWaalsContact O-N 3.14Å; D460-A466 VanDerWaalsContact O-CB 3.3Å; D460-A466 WeakPolarHBondContact O-CB 3.46Å
461	L	69.3	Low	68.3	Low	22 Å²	22	82 Å²	82	12%	0.115	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-1.2	-175.8	-54.8	172.9	0	0	0	113	V441 L443 I446 Y449 I456 G459 P463 L470	V441-L461 HydrophobicContact CB-CD1 3.86Å; V441-L461 HydrophobicContact CB-CD2 4.06Å; V441-L461 HydrophobicContact CG1-CD1 3.51Å; V441-L461 HydrophobicContact CG2-CD1 3.78Å; V441-L461 HydrophobicContact CG2-CD2 3.73Å; V441-L461 HydrophobicContact CG2-CG 4.4Å; L443-L461 HydrophobicContact CD2-CB 4.5Å; L443-L461 WeakPolarHBondContact CD2-O 3.23Å; I446-L461 HydrophobicContact CD1-CD1 3.3Å; Y449-L461 HydrophobicContact CD1-CD1 4.37Å; Y449-L461 HydrophobicContact CE1-CD1 3.98Å; I456-L461 HydrophobicContact CG2-CD1 4.01Å; I456-L461 HydrophobicContact CG2-CD2 4.2Å; I456-L461 HydrophobicContact CG2-CG 3.96Å; G459-L461 PolarHBondContact O-N 2.92Å; L461-P463 WeakPolarHBondContact O-CD 3.34Å; L461-L470 HydrophobicContact CD2-CD2 4.24Å; L461-L470 WeakPolarHBondContact O-CD1 3.27Å
462	D	67.6	Low	68.1	Low	62 Å²	62	81.7 Å²	81.7	33%	0.332	44%	0.444	S	S	.	.			trans	-82.1	118.5	171.2	-168.9	-42.1	0	0	0	108.4	G459 T464 F465 A466	G459-D462 PolarHBondContact O-N 3.28Å; D462-T464 VanDerWaalsContact CG-OG1 3.32Å; D462-T464 PolarHBondContact O-N 2.85Å; D462-T464 WeakPolarHBondContact OD1-CB 3.43Å; D462-T464 PolarHBondContact OD1-N 2.81Å; D462-T464 PolarHBondContact OD1-OG1 2.78Å; D462-F465 HydrophobicContact CB-CB 4.37Å; D462-F465 HydrophobicContact CB-CD2 3.94Å; D462-F465 PolarHBondContact O-N 2.92Å; D462-A466 VanDerWaalsContact O-CB 3.27Å; D462-A466 WeakPolarHBondContact O-CB 3.37Å; D462-A466 PolarHBondContact O-N 2.87Å
463	P	66.4	Low	68.3	Low	106 Å²	106	79.2 Å²	79.2	69%	0.688	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-8.2	179.4	27.3	-35.2	0	0	0	114.4	L461 L470	L461-P463 WeakPolarHBondContact O-CD 3.34Å; P463-L470 HydrophobicContact CB-CD1 4.23Å
464	T	70.1	Confident	68.7	Low	106 Å²	106	74.1 Å²	74.1	65%	0.65	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-19.1	171.8	60.7	0	0	0	0	114.6	D462	D462-T464 VanDerWaalsContact CG-OG1 3.32Å; D462-T464 PolarHBondContact O-N 2.85Å; D462-T464 WeakPolarHBondContact OD1-CB 3.43Å; D462-T464 PolarHBondContact OD1-N 2.81Å; D462-T464 PolarHBondContact OD1-OG1 2.78Å
465	F	69.2	Low	69	Low	148 Å²	148	76.1 Å²	76.1	65%	0.649	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.5	-9.1	-176.2	-56.7	-66.1	0	0	0	114.9	D462 D467	D462-F465 HydrophobicContact CB-CB 4.37Å; D462-F465 HydrophobicContact CB-CD2 3.94Å; D462-F465 PolarHBondContact O-N 2.92Å; F465-D467 PolarHBondContact O-N 3.07Å
466	A	64.5	Low	69.3	Low	26 Å²	26	76 Å²	76	22%	0.215	42%	0.423	C	S	.	.			trans	-67.6	117.8	-176.5	0	0	0	0	0	112.9	D460 D462 R468 L470	D460-A466 VanDerWaalsContact O-CB 3.3Å; D460-A466 WeakPolarHBondContact O-CB 3.46Å; D462-A466 VanDerWaalsContact O-CB 3.27Å; D462-A466 WeakPolarHBondContact O-CB 3.37Å; D462-A466 PolarHBondContact O-N 2.87Å; A466-R468 PolarHBondContact O-N 2.8Å; A466-L470 HydrophobicContact CB-CD1 4.03Å; A466-L470 HydrophobicContact CB-CD2 4.45Å; A466-L470 HydrophobicContact CB-CG 4.03Å
467	D	64.7	Low	69.7	Low	157 Å²	157	75 Å²	75	84%	0.84	42%	0.418	S	S	*	.	S	Bend	trans	-61.5	-12.5	172.6	-72.7	-31.5	0	0	0	113.7	F465	F465-D467 PolarHBondContact O-N 3.07Å
468	R	64.6	Low	69.9	Low	163 Å²	163	71 Å²	71	62%	0.615	40%	0.402	S	S	*	.	S	Bend	trans	-121.8	140.4	-177.2	-55.6	-171.7	-167.6	-147.2	5.3	111	A466 L470	A466-R468 PolarHBondContact O-N 2.8Å; R468-L470 PolarHBondContact O-N 3.28Å
469	P	62.7	Low	70.1	Confident	124 Å²	124	67.3 Å²	67.3	81%	0.805	38%	0.375	S	S	*	.			trans	-67	103.5	-178.7	26.4	-34.4	0	0	0	112.2	T471	P469-T471 PolarHBondContact O-N 2.91Å
470	L	66.2	Low	70.6	Confident	82 Å²	82	66.6 Å²	66.6	43%	0.429	37%	0.365	S	S	.	.			trans	-60.3	134.8	176.9	-64.7	176.8	0	0	0	111.6	L461 P463 A466 R468	L461-L470 HydrophobicContact CD2-CD2 4.24Å; L461-L470 WeakPolarHBondContact O-CD1 3.27Å; P463-L470 HydrophobicContact CB-CD1 4.23Å; A466-L470 HydrophobicContact CB-CD1 4.03Å; A466-L470 HydrophobicContact CB-CD2 4.45Å; A466-L470 HydrophobicContact CB-CG 4.03Å; R468-L470 PolarHBondContact O-N 3.28Å
471	T	65.6	Low	71.1	Confident	69 Å²	69	65.1 Å²	65.1	42%	0.423	36%	0.355	S	S	.	.			trans	-118.1	126.6	-178.6	-67.3	0	0	0	0	110.1	P469 V475 A476	P469-T471 PolarHBondContact O-N 2.91Å; T471-V475 HydrophobicContact CG2-CB 3.7Å; T471-V475 HydrophobicContact CG2-CG1 3.7Å; T471-A476 HydrophobicContact CG2-CB 4.36Å
472	A	69.1	Low	71.8	Confident	39 Å²	39	65.3 Å²	65.3	32%	0.322	36%	0.355	S	S	.	.			trans	-62.5	141.5	176.9	0	0	0	0	0	112.2	V101 K474 V475 A476	V101-A472 HydrophobicContact CG1-CB 3.7Å; V101-A472 HydrophobicContact CG2-CB 4.48Å; A472-K474 VanDerWaalsContact C-N 3.26Å; A472-K474 PolarHBondContact O-N 2.86Å; A472-K474 VanDerWaalsContact O-N 3.08Å; A472-V475 HydrophobicContact CB-CG2 4.48Å; A472-V475 WeakPolarHBondContact O-CA 3.39Å; A472-V475 WeakPolarHBondContact O-CB 3.39Å; A472-V475 PolarHBondContact O-N 2.89Å; A472-A476 PolarHBondContact O-N 2.81Å
473	M	70.9	Confident	72.6	Confident	96 Å²	96	62.9 Å²	62.9	47%	0.473	34%	0.341	S	S	.	.	H	α-helix	trans	-47.6	-43.4	-176.7	-176.6	-179.5	68.7	0	0	113.6	V475 A476 Y477	M473-V475 VanDerWaalsContact C-N 3.33Å; M473-V475 PolarHBondContact O-N 3.19Å; M473-A476 PolarHBondContact O-N 3.22Å; M473-Y477 PolarHBondContact O-N 2.84Å
474	K	73.7	Confident	73.5	Confident	9 Å²	9	58 Å²	58	4%	0.039	31%	0.31	C	S	.	.	H	α-helix	trans	-58.9	-40.3	176.1	169.7	170	172	-174.2	0	113.1	C98 R100 V101 C106 F110 A472 Y477 L478	C98-K474 WeakPolarHBondContact O-CE 3.37Å; C98-K474 PolarHBondContact O-NZ 2.84Å; R100-K474 PolarHBondContact O-NZ 2.98Å; V101-K474 VanDerWaalsContact O-CD 3.3Å; V101-K474 WeakPolarHBondContact O-CD 3.35Å; C106-K474 HydrophobicContact CB-CD 4.18Å; C106-K474 PolarHBondContact SG-NZ 3.39Å; F110-K474 HydrophobicContact CE2-CD 4.31Å; F110-K474 HydrophobicContact CE2-CG 3.91Å; F110-K474 HydrophobicContact CZ-CD 4.47Å; F110-K474 HydrophobicContact CZ-CG 4.05Å; A472-K474 VanDerWaalsContact C-N 3.26Å; A472-K474 PolarHBondContact O-N 2.86Å; A472-K474 VanDerWaalsContact O-N 3.08Å; K474-Y477 PolarHBondContact O-N 2.88Å; K474-L478 HydrophobicContact CG-CD1 4.12Å; K474-L478 VanDerWaalsContact O-CG 3.26Å; K474-L478 WeakPolarHBondContact O-CG 3.27Å; K474-L478 PolarHBondContact O-N 2.73Å
475	V	74.4	Confident	74	Confident	53 Å²	53	55.3 Å²	55.3	32%	0.321	29%	0.291	S	S	.	.	H	α-helix	trans	-68.1	-41.7	179.4	176.8	0	0	0	0	110.1	T471 A472 M473 L478 K479	T471-V475 HydrophobicContact CG2-CB 3.7Å; T471-V475 HydrophobicContact CG2-CG1 3.7Å; A472-V475 HydrophobicContact CB-CG2 4.48Å; A472-V475 WeakPolarHBondContact O-CA 3.39Å; A472-V475 WeakPolarHBondContact O-CB 3.39Å; A472-V475 PolarHBondContact O-N 2.89Å; M473-V475 VanDerWaalsContact C-N 3.33Å; M473-V475 PolarHBondContact O-N 3.19Å; V475-L478 PolarHBondContact O-N 2.65Å; V475-K479 WeakPolarHBondContact O-CG 3.25Å; V475-K479 PolarHBondContact O-N 2.83Å; V475-K479 VanDerWaalsContact O-N 3.13Å
476	A	75.5	Confident	74.7	Confident	14 Å²	14	50.9 Å²	50.9	12%	0.116	27%	0.273	C	S	.	.	H	α-helix	trans	-65	-42.9	175.6	0	0	0	0	0	112.1	F440 T471 A472 M473 L478 K479 L480	F440-A476 HydrophobicContact CE1-CB 3.65Å; F440-A476 HydrophobicContact CZ-CB 4.38Å; T471-A476 HydrophobicContact CG2-CB 4.36Å; A472-A476 PolarHBondContact O-N 2.81Å; M473-A476 PolarHBondContact O-N 3.22Å; A476-L478 VanDerWaalsContact C-N 3.32Å; A476-L478 PolarHBondContact O-N 2.68Å; A476-K479 WeakPolarHBondContact O-CB 3.38Å; A476-K479 PolarHBondContact O-N 3.36Å; A476-L480 PolarHBondContact O-N 2.89Å; A476-L480 VanDerWaalsContact O-N 3.09Å
477	Y	78.7	Confident	75.7	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-57.8	-43.5	172.7	-176.5	-82	0	0	0	111.8	F110 H113 M473 K474 K479 L480 R481 I504	F110-Y477 HydrophobicContact CB-CD1 4.23Å; F110-Y477 HydrophobicContact CB-CE1 3.61Å; F110-Y477 HydrophobicContact CB-CE2 4.15Å; F110-Y477 AromaticContact CD1-CD1 3.45Å; F110-Y477 HydrophobicContact CD1-CD1 3.45Å; F110-Y477 VanDerWaalsContact CD1-CD1 3.45Å; F110-Y477 AromaticContact CD1-CE1 3.07Å; F110-Y477 HydrophobicContact CD1-CE1 3.07Å; F110-Y477 AromaticContact CD1-CZ 3.94Å; F110-Y477 AromaticContact CD2-CD1 3.81Å; F110-Y477 HydrophobicContact CD2-CD1 3.81Å; F110-Y477 HydrophobicContact CD2-CE1 4.04Å; F110-Y477 HydrophobicContact CD2-CG 4.3Å; F110-Y477 AromaticContact CE1-CD1 3.56Å; F110-Y477 HydrophobicContact CE1-CD1 3.56Å; F110-Y477 AromaticContact CE1-CE1 3.63Å; F110-Y477 HydrophobicContact CE1-CE1 3.63Å; F110-Y477 AromaticContact CE2-CD1 3.93Å; F110-Y477 HydrophobicContact CE2-CD1 3.93Å; F110-Y477 HydrophobicContact CE2-CE1 4.49Å; F110-Y477 HydrophobicContact CE2-CG 4.48Å; F110-Y477 AromaticContact CG-CD1 3.55Å; F110-Y477 HydrophobicContact CG-CD1 3.55Å; F110-Y477 AromaticContact CG-CE1 3.28Å; F110-Y477 HydrophobicContact CG-CE1 3.28Å; F110-Y477 HydrophobicContact CG-CE2 4.48Å; F110-Y477 HydrophobicContact CG-CG 4.33Å; F110-Y477 AromaticContact CG-CZ 3.78Å; F110-Y477 AromaticContact CZ-CD1 3.79Å; F110-Y477 HydrophobicContact CZ-CD1 3.79Å; F110-Y477 HydrophobicContact CZ-CE1 4.3Å; F110-Y477 PolarHBondContact O-OH 3.21Å; H113-Y477 PolarHBondContact CE1-OH 3.07Å; M473-Y477 PolarHBondContact O-N 2.84Å; K474-Y477 PolarHBondContact O-N 2.88Å; Y477-K479 VanDerWaalsContact C-N 3.32Å; Y477-K479 PolarHBondContact O-N 3.25Å; Y477-L480 PolarHBondContact O-N 2.73Å; Y477-R481 HydrophobicContact CD1-CB 4.11Å; Y477-R481 HydrophobicContact CE1-CB 3.83Å; Y477-R481 HydrophobicContact CE1-CG 4.15Å; Y477-R481 WeakPolarHBondContact O-CB 3.35Å; Y477-R481 PolarHBondContact O-N 2.79Å; Y477-I504 HydrophobicContact CD2-CB 4.18Å; Y477-I504 HydrophobicContact CD2-CD1 3.79Å; Y477-I504 HydrophobicContact CD2-CG1 4.21Å; Y477-I504 HydrophobicContact CE1-CD1 4.37Å; Y477-I504 HydrophobicContact CE2-CB 3.71Å; Y477-I504 HydrophobicContact CE2-CD1 3.46Å; Y477-I504 VanDerWaalsContact CE2-CD1 3.46Å; Y477-I504 HydrophobicContact CE2-CG1 3.51Å; Y477-I504 HydrophobicContact CG-CD1 4.47Å
478	L	79.7	Confident	76.8	Confident	34 Å²	34	43.2 Å²	43.2	18%	0.178	23%	0.233	C	C	.	.	H	α-helix	trans	-61.2	-37.4	177.5	-73.9	168.6	0	0	0	112.7	L97 F110 I410 K474 V475 A476 Y482	L97-L478 HydrophobicContact CD2-CD2 3.96Å; F110-L478 HydrophobicContact CE1-CD2 3.75Å; F110-L478 HydrophobicContact CE1-CG 4.4Å; F110-L478 HydrophobicContact CZ-CD2 3.79Å; F110-L478 HydrophobicContact CZ-CG 3.99Å; I410-L478 HydrophobicContact CD1-CD2 4.11Å; K474-L478 HydrophobicContact CG-CD1 4.12Å; K474-L478 VanDerWaalsContact O-CG 3.26Å; K474-L478 WeakPolarHBondContact O-CG 3.27Å; K474-L478 PolarHBondContact O-N 2.73Å; V475-L478 PolarHBondContact O-N 2.65Å; A476-L478 VanDerWaalsContact C-N 3.32Å; A476-L478 PolarHBondContact O-N 2.68Å; L478-Y482 WeakPolarHBondContact O-CB 3.14Å; L478-Y482 PolarHBondContact O-N 2.94Å
479	K	78.4	Confident	78	Confident	19 Å²	19	38.7 Å²	38.7	8%	0.083	22%	0.218	C	C	.	.	H	α-helix	trans	-64.3	-49.9	174.7	-65.1	178.2	179.3	-179.4	0	111.5	N416 I417 V475 A476 Y477 R481 Y482 L483	N416-K479 WeakPolarHBondContact O-CE 3.47Å; N416-K479 PolarHBondContact O-NZ 3.14Å; I417-K479 HydrophobicContact CG1-CB 4.48Å; I417-K479 HydrophobicContact CG1-CD 4.3Å; I417-K479 HydrophobicContact CG1-CG 3.97Å; V475-K479 WeakPolarHBondContact O-CG 3.25Å; V475-K479 PolarHBondContact O-N 2.83Å; V475-K479 VanDerWaalsContact O-N 3.13Å; A476-K479 WeakPolarHBondContact O-CB 3.38Å; A476-K479 PolarHBondContact O-N 3.36Å; Y477-K479 VanDerWaalsContact C-N 3.32Å; Y477-K479 PolarHBondContact O-N 3.25Å; K479-R481 VanDerWaalsContact C-N 3.33Å; K479-R481 PolarHBondContact O-N 2.87Å; K479-Y482 WeakPolarHBondContact O-CB 3.27Å; K479-Y482 PolarHBondContact O-N 2.84Å; K479-L483 WeakPolarHBondContact O-CG 3.49Å; K479-L483 PolarHBondContact O-N 3.21Å
480	L	81.4	Confident	79.3	Confident	14 Å²	14	32.8 Å²	32.8	7%	0.073	18%	0.18	C	C	.	.	H	α-helix	trans	-63.1	-42.3	178.4	-66.6	172.6	0	0	0	111.5	I436 F440 A476 Y477 Y482 L483 I484 F490 I502 I504	I436-L480 HydrophobicContact CD1-CD2 3.45Å; I436-L480 VanDerWaalsContact CD1-CD2 3.45Å; F440-L480 HydrophobicContact CZ-CD1 4.24Å; A476-L480 PolarHBondContact O-N 2.89Å; A476-L480 VanDerWaalsContact O-N 3.09Å; Y477-L480 PolarHBondContact O-N 2.73Å; L480-Y482 VanDerWaalsContact C-N 3.33Å; L480-Y482 PolarHBondContact O-N 3.07Å; L480-L483 PolarHBondContact O-N 3.28Å; L480-I484 WeakPolarHBondContact O-CD1 3.5Å; L480-I484 VanDerWaalsContact O-CG1 3.3Å; L480-I484 WeakPolarHBondContact O-CG1 3.3Å; L480-I484 PolarHBondContact O-N 3.22Å; L480-F490 HydrophobicContact CD2-CE1 4.33Å; L480-I502 HydrophobicContact CD1-CD1 3.8Å; L480-I502 HydrophobicContact CD1-CG1 4.23Å; L480-I502 HydrophobicContact CD1-CG2 3.61Å; L480-I504 HydrophobicContact CB-CD1 4.03Å
481	R	81.6	Confident	80.6	Confident	23 Å²	23	28.9 Å²	28.9	9%	0.087	16%	0.159	C	C	.	.	H	α-helix	trans	-61.3	-39.9	177.1	175.3	58.7	-163.1	-67.6	-12.8	112.5	H113 I410 Y477 K479 I484 D485 I504	H113-R481 VanDerWaalsContact CB-NH1 3.29Å; H113-R481 PolarHBondContact CD2-NE 3.38Å; H113-R481 PolarHBondContact CD2-NH1 2.81Å; H113-R481 PolarHBondContact CD2-NH2 3.46Å; H113-R481 VanDerWaalsContact CD2-NH2 3.33Å; H113-R481 WeakPolarHBondContact ND1-CD 3.45Å; H113-R481 PolarHBondContact ND1-NE 2.92Å; H113-R481 WeakPolarHBondContact NE2-CD 3.42Å; H113-R481 PolarHBondContact NE2-NE 3.23Å; I410-R481 HydrophobicContact CD1-CB 4.38Å; I410-R481 HydrophobicContact CD1-CG 3.67Å; Y477-R481 HydrophobicContact CD1-CB 4.11Å; Y477-R481 HydrophobicContact CE1-CB 3.83Å; Y477-R481 HydrophobicContact CE1-CG 4.15Å; Y477-R481 WeakPolarHBondContact O-CB 3.35Å; Y477-R481 PolarHBondContact O-N 2.79Å; K479-R481 VanDerWaalsContact C-N 3.33Å; K479-R481 PolarHBondContact O-N 2.87Å; R481-I484 PolarHBondContact O-N 3.24Å; R481-D485 IonicContact CZ-OD1 3.5Å; R481-D485 IonicContact CZ-OD2 2.73Å; R481-D485 VanDerWaalsContact CZ-OD2 3.26Å; R481-D485 IonicContact NE-OD1 3.67Å; R481-D485 PolarHBondContact NE-OD1 2.84Å; R481-D485 IonicContact NE-OD2 2.65Å; R481-D485 PolarHBondContact NE-OD2 3.47Å; R481-D485 VanDerWaalsContact NE-OD2 3.07Å; R481-D485 IonicContact NH2-OD1 2.68Å; R481-D485 PolarHBondContact NH2-OD1 2.68Å; R481-D485 IonicContact NH2-OD2 3.19Å; R481-D485 PolarHBondContact NH2-OD2 2.83Å; R481-D485 WeakPolarHBondContact O-CB 3.47Å; R481-D485 PolarHBondContact O-N 2.93Å; R481-I504 HydrophobicContact CB-CD1 4.47Å
482	Y	82.7	Confident	81.8	Confident	26 Å²	26	25.6 Å²	25.6	10%	0.102	14%	0.139	C	C	.	.	H	α-helix	trans	-58.9	-50.3	172.7	171.2	-99.5	0	0	0	111.3	I410 I417 L427 L478 K479 L480 I484 D485 M486	I410-Y482 HydrophobicContact CB-CD2 4.41Å; I410-Y482 HydrophobicContact CG2-CD2 4.21Å; I410-Y482 VanDerWaalsContact O-CD2 3.24Å; I410-Y482 WeakPolarHBondContact O-CD2 3.31Å; I410-Y482 WeakPolarHBondContact O-CE2 3.39Å; I417-Y482 HydrophobicContact CD1-CD1 3.95Å; I417-Y482 HydrophobicContact CD1-CE1 4.37Å; L427-Y482 HydrophobicContact CD1-CE1 4.26Å; L478-Y482 WeakPolarHBondContact O-CB 3.14Å; L478-Y482 PolarHBondContact O-N 2.94Å; K479-Y482 WeakPolarHBondContact O-CB 3.27Å; K479-Y482 PolarHBondContact O-N 2.84Å; L480-Y482 VanDerWaalsContact C-N 3.33Å; L480-Y482 PolarHBondContact O-N 3.07Å; Y482-I484 VanDerWaalsContact C-N 3.33Å; Y482-I484 PolarHBondContact O-N 2.87Å; Y482-D485 PolarHBondContact O-N 2.83Å; Y482-M486 HydrophobicContact CD1-CG 4.41Å; Y482-M486 HydrophobicContact CD2-CG 4.27Å; Y482-M486 HydrophobicContact CE1-CG 3.98Å; Y482-M486 HydrophobicContact CE2-CE 4.31Å; Y482-M486 HydrophobicContact CE2-CG 3.82Å; Y482-M486 HydrophobicContact CE2-SD 4Å; Y482-M486 VanDerWaalsContact O-CG 3.32Å; Y482-M486 WeakPolarHBondContact O-CG 3.32Å; Y482-M486 PolarHBondContact O-N 2.87Å
483	L	84.4	Confident	82.9	Confident	10 Å²	10	25.4 Å²	25.4	5%	0.052	13%	0.132	C	C	.	.	H	α-helix	trans	-61.4	-39.9	178.7	-63.6	171.1	0	0	0	112.1	P428 K479 L480 M486 G487 V488 F490	P428-L483 HydrophobicContact CB-CD2 4.22Å; P428-L483 HydrophobicContact CG-CD2 4.21Å; K479-L483 WeakPolarHBondContact O-CG 3.49Å; K479-L483 PolarHBondContact O-N 3.21Å; L480-L483 PolarHBondContact O-N 3.28Å; L483-M486 PolarHBondContact O-N 2.86Å; L483-G487 PolarHBondContact O-N 2.86Å; L483-V488 HydrophobicContact CB-CB 4.24Å; L483-V488 HydrophobicContact CB-CG2 4.18Å; L483-V488 HydrophobicContact CD2-CG2 3.98Å; L483-V488 WeakPolarHBondContact O-CB 3.46Å; L483-V488 WeakPolarHBondContact O-CG2 3.22Å; L483-V488 PolarHBondContact O-N 2.8Å; L483-F490 HydrophobicContact CB-CE1 4.07Å; L483-F490 HydrophobicContact CB-CZ 3.63Å; L483-F490 HydrophobicContact CD1-CE1 4.1Å; L483-F490 HydrophobicContact CD1-CZ 4.5Å
484	I	84.8	Confident	83.7	Confident	5 Å²	5	21.9 Å²	21.9	3%	0.026	12%	0.12	C	C	.	.	H	α-helix	trans	-59.4	-53.2	173.6	-69.5	158.2	0	0	0	110.6	H113 L480 R481 Y482 M486 G487 F490 I504 V506 Q509	H113-I484 WeakPolarHBondContact NE2-CG2 3.21Å; L480-I484 WeakPolarHBondContact O-CD1 3.5Å; L480-I484 VanDerWaalsContact O-CG1 3.3Å; L480-I484 WeakPolarHBondContact O-CG1 3.3Å; L480-I484 PolarHBondContact O-N 3.22Å; R481-I484 PolarHBondContact O-N 3.24Å; Y482-I484 VanDerWaalsContact C-N 3.33Å; Y482-I484 PolarHBondContact O-N 2.87Å; I484-M486 PolarHBondContact O-N 2.73Å; I484-G487 PolarHBondContact O-N 3.05Å; I484-F490 HydrophobicContact CG1-CE2 3.65Å; I484-F490 HydrophobicContact CG1-CZ 3.82Å; I484-I504 HydrophobicContact CD1-CD1 3.28Å; I484-I504 HydrophobicContact CD1-CG1 3.72Å; I484-V506 HydrophobicContact CD1-CG2 3.67Å; I484-V506 HydrophobicContact CG1-CG1 4.48Å; I484-V506 HydrophobicContact CG1-CG2 4.06Å; I484-Q509 PolarHBondContact O-NE2 3.14Å; I484-Q509 PolarHBondContact O-OE1 3.29Å
485	D	81.7	Confident	84.3	Confident	48 Å²	48	21.5 Å²	21.5	26%	0.257	12%	0.119	S	C	.	.	H	α-helix	trans	-63.7	-27.2	-179.3	-78.2	5.6	0	0	0	113.1	H113 R481 Y482 G487	H113-D485 IonicContact NE2-OD1 3.32Å; R481-D485 IonicContact CZ-OD1 3.5Å; R481-D485 IonicContact CZ-OD2 2.73Å; R481-D485 VanDerWaalsContact CZ-OD2 3.26Å; R481-D485 IonicContact NE-OD1 3.67Å; R481-D485 PolarHBondContact NE-OD1 2.84Å; R481-D485 IonicContact NE-OD2 2.65Å; R481-D485 PolarHBondContact NE-OD2 3.47Å; R481-D485 VanDerWaalsContact NE-OD2 3.07Å; R481-D485 IonicContact NH2-OD1 2.68Å; R481-D485 PolarHBondContact NH2-OD1 2.68Å; R481-D485 IonicContact NH2-OD2 3.19Å; R481-D485 PolarHBondContact NH2-OD2 2.83Å; R481-D485 WeakPolarHBondContact O-CB 3.47Å; R481-D485 PolarHBondContact O-N 2.93Å; Y482-D485 PolarHBondContact O-N 2.83Å; D485-G487 VanDerWaalsContact C-N 3.3Å
486	M	82.8	Confident	84.4	Confident	56 Å²	56	22.7 Å²	22.7	28%	0.276	13%	0.129	S	C	.	.	H	α-helix	trans	-76.9	-11.6	174.4	-67.8	-56.7	94.1	0	0	113.7	R430 Y482 L483 I484 V488	R430-M486 WeakPolarHBondContact CA-O 3.21Å; R430-M486 WeakPolarHBondContact CB-O 3.46Å; R430-M486 PolarHBondContact N-O 3.03Å; Y482-M486 HydrophobicContact CD1-CG 4.41Å; Y482-M486 HydrophobicContact CD2-CG 4.27Å; Y482-M486 HydrophobicContact CE1-CG 3.98Å; Y482-M486 HydrophobicContact CE2-CE 4.31Å; Y482-M486 HydrophobicContact CE2-CG 3.82Å; Y482-M486 HydrophobicContact CE2-SD 4Å; Y482-M486 VanDerWaalsContact O-CG 3.32Å; Y482-M486 WeakPolarHBondContact O-CG 3.32Å; Y482-M486 PolarHBondContact O-N 2.87Å; L483-M486 PolarHBondContact O-N 2.86Å; I484-M486 PolarHBondContact O-N 2.73Å; M486-V488 HydrophobicContact CB-CG2 4.22Å
487	G	86.1	Confident	84.3	Confident	21 Å²	21	27.2 Å²	27.2	22%	0.216	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	23.4	-178.9	0	0	0	0	0	114.5	D431 L483 I484 D485 Q509	D431-G487 PolarHBondContact N-O 2.79Å; L483-G487 PolarHBondContact O-N 2.86Å; I484-G487 PolarHBondContact O-N 3.05Å; D485-G487 VanDerWaalsContact C-N 3.3Å; G487-Q509 VanDerWaalsContact CA-NE2 3.32Å
488	V	88	Confident	84.2	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-63.2	148.8	173.8	173.6	0	0	0	0	110.6	P428 G429 D432 V434 L483 M486 Q509	P428-V488 HydrophobicContact CB-CG2 3.87Å; G429-V488 VanDerWaalsContact O-CG2 3.24Å; G429-V488 WeakPolarHBondContact O-CG2 3.06Å; D432-V488 WeakPolarHBondContact O-CG1 3.47Å; V434-V488 HydrophobicContact CB-CG1 3.73Å; V434-V488 HydrophobicContact CG2-CG1 3.44Å; V434-V488 VanDerWaalsContact CG2-CG1 3.44Å; L483-V488 HydrophobicContact CB-CB 4.24Å; L483-V488 HydrophobicContact CB-CG2 4.18Å; L483-V488 HydrophobicContact CD2-CG2 3.98Å; L483-V488 WeakPolarHBondContact O-CB 3.46Å; L483-V488 WeakPolarHBondContact O-CG2 3.22Å; L483-V488 PolarHBondContact O-N 2.8Å; M486-V488 HydrophobicContact CB-CG2 4.22Å; V488-Q509 VanDerWaalsContact O-CB 3.3Å; V488-Q509 WeakPolarHBondContact O-CB 3.35Å; V488-Q509 VanDerWaalsContact O-CG 3.27Å; V488-Q509 WeakPolarHBondContact O-CG 3.43Å; V488-Q509 PolarHBondContact O-NE2 3.01Å
489	K	89.8	Confident	84.1	Confident	68 Å²	68	26.9 Å²	26.9	30%	0.296	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.2	172.3	-73.1	170.2	-174.7	158.1	0	110.9	D431 D432 L433 V434 Q509 I511	D431-K489 WeakPolarHBondContact OD1-CE 3.49Å; D431-K489 IonicContact OD1-NZ 3.67Å; D431-K489 PolarHBondContact OD1-NZ 2.89Å; D432-K489 PolarHBondContact O-N 2.94Å; L433-K489 WeakPolarHBondContact CA-O 3.45Å; L433-K489 HydrophobicContact CD2-CB 3.98Å; V434-K489 PolarHBondContact N-O 3.33Å; K489-Q509 CarbonylContact C-O 3.51Å; K489-Q509 WeakPolarHBondContact CA-O 3.5Å; K489-I511 HydrophobicContact CB-CD1 4.05Å; K489-I511 HydrophobicContact CD-CD1 4.21Å
490	F	91	Very high	83.6	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	116.6	178.1	-61.7	-85.3	0	0	0	110.5	V434 I436 L480 L483 I484 L495 F499 V506 Q509 I511	V434-F490 CarbonylContact O-C 3.5Å; V434-F490 WeakPolarHBondContact O-CA 3.04Å; I436-F490 HydrophobicContact CD1-CD1 4.47Å; I436-F490 HydrophobicContact CG2-CB 4.05Å; I436-F490 HydrophobicContact CG2-CD1 3.99Å; I436-F490 HydrophobicContact CG2-CG 4.48Å; L480-F490 HydrophobicContact CD2-CE1 4.33Å; L483-F490 HydrophobicContact CB-CE1 4.07Å; L483-F490 HydrophobicContact CB-CZ 3.63Å; L483-F490 HydrophobicContact CD1-CE1 4.1Å; L483-F490 HydrophobicContact CD1-CZ 4.5Å; I484-F490 HydrophobicContact CG1-CE2 3.65Å; I484-F490 HydrophobicContact CG1-CZ 3.82Å; F490-L495 HydrophobicContact CB-CD1 4.35Å; F490-F499 HydrophobicContact CB-CZ 4Å; F490-F499 HydrophobicContact CD1-CZ 4.36Å; F490-F499 HydrophobicContact CD2-CZ 4.38Å; F490-F499 AromaticContact CG-CZ 4Å; F490-F499 HydrophobicContact CG-CZ 4Å; F490-V506 HydrophobicContact CD2-CG1 3.94Å; F490-V506 HydrophobicContact CE2-CG1 4.16Å; F490-Q509 HydrophobicContact CD2-CB 4.09Å; F490-Q509 HydrophobicContact CE2-CB 4.45Å; F490-Q509 PolarHBondContact N-O 3.13Å; F490-I511 PolarHBondContact O-N 3.28Å
491	V	91.7	Very high	82.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	136.2	173	-175.8	0	0	0	0	109.2	L433 V434 A435 I436 I511 T513 L554 Y557	L433-V491 HydrophobicContact CB-CG2 4.48Å; L433-V491 HydrophobicContact CD2-CG2 3.79Å; V434-V491 PolarHBondContact O-N 3.41Å; A435-V491 WeakPolarHBondContact CA-O 3.41Å; I436-V491 PolarHBondContact N-O 2.91Å; V491-I511 WeakPolarHBondContact CA-O 3.43Å; V491-I511 HydrophobicContact CG1-CG2 4.41Å; V491-I511 HydrophobicContact CG2-CB 4.1Å; V491-I511 HydrophobicContact CG2-CD1 4.06Å; V491-I511 HydrophobicContact CG2-CG2 4.29Å; V491-T513 HydrophobicContact CG1-CG2 4.43Å; V491-L554 HydrophobicContact CB-CD1 4.43Å; V491-L554 HydrophobicContact CG1-CD1 4.42Å; V491-L554 HydrophobicContact CG2-CD1 4.31Å; V491-Y557 HydrophobicContact CG1-CD1 4.35Å; V491-Y557 HydrophobicContact CG1-CG 4.13Å; V491-Y557 HydrophobicContact CG2-CD1 3.93Å; V491-Y557 HydrophobicContact CG2-CE1 4.4Å; V491-Y557 HydrophobicContact CG2-CG 4.41Å
492	G	91.7	Very high	82.3	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.4	-163.9	178	0	0	0	0	0	112.8	I511 T513	G492-I511 PolarHBondContact N-O 3.3Å; G492-I511 VanDerWaalsContact N-O 3.12Å; G492-T513 WeakPolarHBondContact O-CB 3.29Å; G492-T513 WeakPolarHBondContact O-CG2 3.45Å; G492-T513 PolarHBondContact O-N 2.79Å; G492-T513 PolarHBondContact O-OG1 2.83Å
493	H	91.2	Very high	81.6	Confident	36 Å²	36	32.3 Å²	32.3	17%	0.167	18%	0.179	C	C	.	.	S	Bend	trans	-140.7	100.1	-175.6	-171.2	89	0	0	0	111.8	T513 V514 V525 L527 A553	H493-T513 WeakPolarHBondContact CB-OG1 3.45Å; H493-T513 PolarHBondContact ND1-OG1 3.4Å; H493-V514 VanDerWaalsContact CE1-CG2 3.5Å; H493-V514 WeakPolarHBondContact CE1-CG2 3.41Å; H493-V514 WeakPolarHBondContact NE2-CG2 3.45Å; H493-V525 PolarHBondContact CE1-O 2.85Å; H493-V525 VanDerWaalsContact CE1-O 3.23Å; H493-V525 PolarHBondContact NE2-O 3Å; H493-L527 HydrophobicContact CB-CB 4.48Å; H493-L527 HydrophobicContact CB-CD1 3.93Å; H493-L527 HydrophobicContact CB-CD2 4.47Å; H493-L527 PolarHBondContact CE1-N 3.07Å; H493-L527 PolarHBondContact NE2-N 3.38Å; H493-A553 HydrophobicContact CB-CB 4.26Å
494	G	88.9	Confident	81.1	Confident	22 Å²	22	32.2 Å²	32.2	23%	0.227	18%	0.178	C	C	.	.	S	Bend	trans	94.7	8.8	-175.3	0	0	0	0	0	115.3	S496 N497 D512	G494-S496 PolarHBondContact O-N 3.26Å; G494-N497 PolarHBondContact O-N 3.25Å; G494-D512 PolarHBondContact N-OD1 2.96Å
495	L	85.2	Confident	80.7	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-20.3	-170.6	-68.6	-176	0	0	0	117.1	I436 F490 N497 D498 F499 I510	I436-L495 HydrophobicContact CG2-CD1 4.15Å; I436-L495 HydrophobicContact CG2-CD2 3.79Å; F490-L495 HydrophobicContact CB-CD1 4.35Å; L495-N497 PolarHBondContact O-N 3.4Å; L495-D498 WeakPolarHBondContact CA-OD2 3.43Å; L495-D498 HydrophobicContact CD2-CB 4.49Å; L495-D498 PolarHBondContact O-N 2.78Å; L495-F499 HydrophobicContact CB-CD2 4.1Å; L495-F499 HydrophobicContact CB-CE2 3.79Å; L495-F499 HydrophobicContact CD1-CE2 4.08Å; L495-F499 HydrophobicContact CD1-CZ 4.35Å; L495-F499 HydrophobicContact CG-CE2 4.41Å; L495-F499 WeakPolarHBondContact O-CD2 3.37Å; L495-F499 PolarHBondContact O-N 3.24Å; L495-I510 HydrophobicContact CB-CG2 4.03Å; L495-I510 HydrophobicContact CD1-CG2 3.86Å
496	S	77.8	Confident	80.6	Confident	77 Å²	77	32.1 Å²	32.1	54%	0.538	18%	0.175	S	C	.	.	H	α-helix	trans	-57.6	-33	172.2	-64.1	0	0	0	0	113.4	G494 K500	G494-S496 PolarHBondContact O-N 3.26Å; S496-K500 VanDerWaalsContact O-CB 3.32Å; S496-K500 WeakPolarHBondContact O-CB 3.4Å
497	N	73.2	Confident	80.2	Confident	110 Å²	110	32.7 Å²	32.7	59%	0.588	17%	0.174	S	C	*	.	H	α-helix	trans	-76.9	-44.9	175	-85.4	-13.8	0	0	0	111	G494 L495 K500 V501	G494-N497 PolarHBondContact O-N 3.25Å; L495-N497 PolarHBondContact O-N 3.4Å; N497-K500 WeakPolarHBondContact O-CB 3.36Å; N497-K500 PolarHBondContact O-N 2.82Å; N497-V501 WeakPolarHBondContact O-CB 3.3Å; N497-V501 WeakPolarHBondContact O-CG2 3.31Å; N497-V501 PolarHBondContact O-N 2.91Å
498	D	75.9	Confident	79.9	Confident	21 Å²	21	38.7 Å²	38.7	11%	0.112	20%	0.196	C	C	.	.	H	α-helix	trans	-60.3	-50.5	-176.8	-51.9	-79.5	0	0	0	111.3	L495 K500 V501 I502	L495-D498 WeakPolarHBondContact CA-OD2 3.43Å; L495-D498 HydrophobicContact CD2-CB 4.49Å; L495-D498 PolarHBondContact O-N 2.78Å; D498-K500 VanDerWaalsContact C-N 3.31Å; D498-K500 PolarHBondContact O-N 2.97Å; D498-V501 WeakPolarHBondContact O-CA 3.4Å; D498-V501 WeakPolarHBondContact O-CB 3.37Å; D498-V501 PolarHBondContact O-N 3.33Å; D498-V501 VanDerWaalsContact O-N 3.08Å; D498-I502 WeakPolarHBondContact O-CB 3.48Å; D498-I502 VanDerWaalsContact O-CD1 3.3Å; D498-I502 WeakPolarHBondContact O-CD1 3.44Å; D498-I502 WeakPolarHBondContact O-CG1 3.18Å; D498-I502 PolarHBondContact O-N 3.02Å
499	F	77.7	Confident	80	Confident	8 Å²	8	39.9 Å²	39.9	4%	0.035	20%	0.202	C	C	.	.	H	α-helix	trans	-64.8	-34.1	176.9	-64.5	-47.4	0	0	0	113.2	F490 L495 V501 I502 N503 I504 V506 I510	F490-F499 HydrophobicContact CB-CZ 4Å; F490-F499 HydrophobicContact CD1-CZ 4.36Å; F490-F499 HydrophobicContact CD2-CZ 4.38Å; F490-F499 AromaticContact CG-CZ 4Å; F490-F499 HydrophobicContact CG-CZ 4Å; L495-F499 HydrophobicContact CB-CD2 4.1Å; L495-F499 HydrophobicContact CB-CE2 3.79Å; L495-F499 HydrophobicContact CD1-CE2 4.08Å; L495-F499 HydrophobicContact CD1-CZ 4.35Å; L495-F499 HydrophobicContact CG-CE2 4.41Å; L495-F499 WeakPolarHBondContact O-CD2 3.37Å; L495-F499 PolarHBondContact O-N 3.24Å; F499-V501 VanDerWaalsContact C-N 3.33Å; F499-I502 HydrophobicContact CD1-CD1 3.89Å; F499-I502 HydrophobicContact CE1-CD1 4.43Å; F499-N503 PolarHBondContact O-N 2.88Å; F499-I504 CarbonylContact C-O 3.55Å; F499-I504 HydrophobicContact CB-CG2 4.06Å; F499-I504 HydrophobicContact CD1-CG2 3.66Å; F499-I504 HydrophobicContact CG-CG2 4.24Å; F499-I504 PolarHBondContact O-N 2.99Å; F499-V506 HydrophobicContact CD1-CG2 3.73Å; F499-V506 HydrophobicContact CD2-CB 4.22Å; F499-V506 HydrophobicContact CD2-CG2 4.02Å; F499-V506 HydrophobicContact CE1-CG2 3.78Å; F499-V506 HydrophobicContact CE2-CB 4.19Å; F499-V506 HydrophobicContact CE2-CG2 4.05Å; F499-V506 HydrophobicContact CG-CG2 3.87Å; F499-V506 HydrophobicContact CZ-CB 4.46Å; F499-V506 HydrophobicContact CZ-CG2 3.94Å; F499-I510 HydrophobicContact CD2-CD1 3.71Å; F499-I510 HydrophobicContact CD2-CG1 4.25Å; F499-I510 HydrophobicContact CE2-CD1 3.76Å; F499-I510 HydrophobicContact CE2-CG1 3.78Å; F499-I510 HydrophobicContact CE2-CG2 4.23Å
500	K	68.5	Low	79.9	Confident	125 Å²	125	39.2 Å²	39.2	54%	0.543	20%	0.201	S	C	.	.	H	α-helix	trans	-65.1	-37.9	172.8	179.1	-170.7	173.2	-163.2	0	111.6	S496 N497 D498 N503	S496-K500 VanDerWaalsContact O-CB 3.32Å; S496-K500 WeakPolarHBondContact O-CB 3.4Å; N497-K500 WeakPolarHBondContact O-CB 3.36Å; N497-K500 PolarHBondContact O-N 2.82Å; D498-K500 VanDerWaalsContact C-N 3.31Å; D498-K500 PolarHBondContact O-N 2.97Å; K500-N503 PolarHBondContact O-N 2.8Å
501	V	66.8	Low	80	Confident	52 Å²	52	40.3 Å²	40.3	32%	0.315	21%	0.207	S	C	.	.	H	α-helix	trans	-70.2	-48.8	176.9	156.5	0	0	0	0	111.8	L15 F440 N497 D498 F499 N503	L15-V501 HydrophobicContact CB-CG1 4.1Å; L15-V501 HydrophobicContact CD1-CG1 3.86Å; L15-V501 HydrophobicContact CD2-CB 4.36Å; L15-V501 HydrophobicContact CD2-CG1 3.68Å; L15-V501 HydrophobicContact CD2-CG2 3.78Å; L15-V501 HydrophobicContact CG-CG1 4.07Å; F440-V501 HydrophobicContact CB-CG1 4.17Å; N497-V501 WeakPolarHBondContact O-CB 3.3Å; N497-V501 WeakPolarHBondContact O-CG2 3.31Å; N497-V501 PolarHBondContact O-N 2.91Å; D498-V501 WeakPolarHBondContact O-CA 3.4Å; D498-V501 WeakPolarHBondContact O-CB 3.37Å; D498-V501 PolarHBondContact O-N 3.33Å; D498-V501 VanDerWaalsContact O-N 3.08Å; F499-V501 VanDerWaalsContact C-N 3.33Å; V501-N503 PolarHBondContact O-N 3.35Å; V501-N503 VanDerWaalsContact O-N 3.11Å
502	I	67.4	Low	80	Confident	6 Å²	6	40.9 Å²	40.9	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-57.3	-25	173.1	-68.8	158.2	0	0	0	112	R146 F440 L480 D498 F499 I504	R146-I502 PolarHBondContact NH2-O 3.38Å; F440-I502 HydrophobicContact CD2-CB 4.49Å; F440-I502 HydrophobicContact CD2-CD1 4.17Å; F440-I502 HydrophobicContact CD2-CG1 3.33Å; F440-I502 HydrophobicContact CE1-CG1 4.47Å; F440-I502 HydrophobicContact CE2-CB 4.44Å; F440-I502 HydrophobicContact CE2-CD1 3.57Å; F440-I502 HydrophobicContact CE2-CG1 3.11Å; F440-I502 HydrophobicContact CG-CG1 4.19Å; F440-I502 HydrophobicContact CZ-CD1 4.21Å; F440-I502 HydrophobicContact CZ-CG1 3.75Å; L480-I502 HydrophobicContact CD1-CD1 3.8Å; L480-I502 HydrophobicContact CD1-CG1 4.23Å; L480-I502 HydrophobicContact CD1-CG2 3.61Å; D498-I502 WeakPolarHBondContact O-CB 3.48Å; D498-I502 VanDerWaalsContact O-CD1 3.3Å; D498-I502 WeakPolarHBondContact O-CD1 3.44Å; D498-I502 WeakPolarHBondContact O-CG1 3.18Å; D498-I502 PolarHBondContact O-N 3.02Å; F499-I502 HydrophobicContact CD1-CD1 3.89Å; F499-I502 HydrophobicContact CE1-CD1 4.43Å; I502-I504 HydrophobicContact CB-CG2 3.94Å; I502-I504 HydrophobicContact CG2-CB 3.8Å; I502-I504 HydrophobicContact CG2-CG2 3.46Å; I502-I504 VanDerWaalsContact CG2-CG2 3.46Å
503	N	68.5	Low	80.1	Confident	13 Å²	13	40.9 Å²	40.9	7%	0.07	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	47.2	-176.3	-145	75.7	0	0	0	111	M114 A142 R146 F499 K500 V501	M114-N503 WeakPolarHBondContact CE-O 3.37Å; A142-N503 WeakPolarHBondContact CA-ND2 3.43Å; A142-N503 WeakPolarHBondContact CA-OD1 3.07Å; A142-N503 VanDerWaalsContact CB-CG 3.44Å; A142-N503 VanDerWaalsContact CB-ND2 3.32Å; A142-N503 WeakPolarHBondContact CB-ND2 3.48Å; A142-N503 VanDerWaalsContact CB-OD1 3.24Å; A142-N503 WeakPolarHBondContact CB-OD1 3.42Å; A142-N503 PolarHBondContact O-ND2 2.92Å; R146-N503 WeakPolarHBondContact CD-ND2 3.49Å; R146-N503 WeakPolarHBondContact CG-ND2 3.27Å; R146-N503 PolarHBondContact NE-ND2 3.36Å; R146-N503 VanDerWaalsContact NE-ND2 3.13Å; R146-N503 PolarHBondContact NH2-O 3.42Å; F499-N503 PolarHBondContact O-N 2.88Å; K500-N503 PolarHBondContact O-N 2.8Å; V501-N503 PolarHBondContact O-N 3.35Å; V501-N503 VanDerWaalsContact O-N 3.11Å
504	I	75	Confident	80.2	Confident	8 Å²	8	39.6 Å²	39.6	4%	0.041	20%	0.204	C	C	.	.			trans	-130.8	146.1	178.1	-158.8	160	0	0	0	110	M114 Y477 L480 R481 I484 F499 I502 V506	M114-I504 VanDerWaalsContact SD-CA 3.55Å; Y477-I504 HydrophobicContact CD2-CB 4.18Å; Y477-I504 HydrophobicContact CD2-CD1 3.79Å; Y477-I504 HydrophobicContact CD2-CG1 4.21Å; Y477-I504 HydrophobicContact CE1-CD1 4.37Å; Y477-I504 HydrophobicContact CE2-CB 3.71Å; Y477-I504 HydrophobicContact CE2-CD1 3.46Å; Y477-I504 VanDerWaalsContact CE2-CD1 3.46Å; Y477-I504 HydrophobicContact CE2-CG1 3.51Å; Y477-I504 HydrophobicContact CG-CD1 4.47Å; L480-I504 HydrophobicContact CB-CD1 4.03Å; R481-I504 HydrophobicContact CB-CD1 4.47Å; I484-I504 HydrophobicContact CD1-CD1 3.28Å; I484-I504 HydrophobicContact CD1-CG1 3.72Å; F499-I504 CarbonylContact C-O 3.55Å; F499-I504 HydrophobicContact CB-CG2 4.06Å; F499-I504 HydrophobicContact CD1-CG2 3.66Å; F499-I504 HydrophobicContact CG-CG2 4.24Å; F499-I504 PolarHBondContact O-N 2.99Å; I502-I504 HydrophobicContact CB-CG2 3.94Å; I502-I504 HydrophobicContact CG2-CB 3.8Å; I502-I504 HydrophobicContact CG2-CG2 3.46Å; I502-I504 VanDerWaalsContact CG2-CG2 3.46Å; I504-V506 HydrophobicContact CG2-CG2 4.24Å
505	Y	75.2	Confident	80.4	Confident	44 Å²	44	42.5 Å²	42.5	17%	0.173	21%	0.212	C	C	.	.			trans	-105.8	129.3	172.3	179	-111.9	0	0	0	109.2	Q117 T135 R507	Q117-Y505 HydrophobicContact CB-CD1 3.78Å; Q117-Y505 HydrophobicContact CB-CE1 4.22Å; T135-Y505 HydrophobicContact CG2-CD2 3.97Å; T135-Y505 HydrophobicContact CG2-CE1 4.11Å; T135-Y505 HydrophobicContact CG2-CE2 3.37Å; T135-Y505 VanDerWaalsContact CG2-CZ 3.45Å; Y505-R507 HydrophobicContact CE1-CB 4.3Å
506	V	79.3	Confident	80.7	Confident	7 Å²	7	44.4 Å²	44.4	4%	0.042	22%	0.222	C	C	.	.			trans	-122.6	131.7	177.4	-173.6	0	0	0	0	106.9	I484 F490 F499 I504 Q509 I510	I484-V506 HydrophobicContact CD1-CG2 3.67Å; I484-V506 HydrophobicContact CG1-CG1 4.48Å; I484-V506 HydrophobicContact CG1-CG2 4.06Å; F490-V506 HydrophobicContact CD2-CG1 3.94Å; F490-V506 HydrophobicContact CE2-CG1 4.16Å; F499-V506 HydrophobicContact CD1-CG2 3.73Å; F499-V506 HydrophobicContact CD2-CB 4.22Å; F499-V506 HydrophobicContact CD2-CG2 4.02Å; F499-V506 HydrophobicContact CE1-CG2 3.78Å; F499-V506 HydrophobicContact CE2-CB 4.19Å; F499-V506 HydrophobicContact CE2-CG2 4.05Å; F499-V506 HydrophobicContact CG-CG2 3.87Å; F499-V506 HydrophobicContact CZ-CB 4.46Å; F499-V506 HydrophobicContact CZ-CG2 3.94Å; I504-V506 HydrophobicContact CG2-CG2 4.24Å; V506-Q509 HydrophobicContact CG1-CB 3.73Å; V506-I510 HydrophobicContact CB-CD1 4Å; V506-I510 HydrophobicContact CB-CG1 3.88Å; V506-I510 HydrophobicContact CG1-CD1 4.33Å; V506-I510 HydrophobicContact CG1-CG1 3.65Å
507	R	75.2	Confident	81.5	Confident	68 Å²	68	40.8 Å²	40.8	26%	0.257	20%	0.197	S	C	.	.			trans	-88.2	-116.3	-172	-169.5	-167.5	148.6	155.5	5.4	110.6	S120 D121 Y505 Q509	S120-R507 PolarHBondContact O-NH1 3.29Å; S120-R507 PolarHBondContact OG-NH1 3.33Å; D121-R507 VanDerWaalsContact OD1-CD 3.27Å; D121-R507 WeakPolarHBondContact OD1-CD 3.34Å; D121-R507 IonicContact OD1-CZ 2.71Å; D121-R507 IonicContact OD1-NE 3.48Å; D121-R507 PolarHBondContact OD1-NE 2.93Å; D121-R507 IonicContact OD1-NH1 3.26Å; D121-R507 PolarHBondContact OD1-NH1 2.87Å; D121-R507 IonicContact OD1-NH2 3.07Å; Y505-R507 HydrophobicContact CE1-CB 4.3Å; R507-Q509 PolarHBondContact O-N 2.87Å
508	E	80.6	Confident	82.5	Confident	146 Å²	146	39.7 Å²	39.7	68%	0.682	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	0.2	-177.5	-76.6	153.6	-149.5	0	0	113.7	I510	E508-I510 VanDerWaalsContact C-N 3.26Å; E508-I510 PolarHBondContact O-N 2.95Å
509	Q	89	Confident	83.2	Confident	25 Å²	25	40.1 Å²	40.1	12%	0.117	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	0.9	-176.9	-68.1	168.2	-88.3	0	0	113.3	I484 G487 V488 K489 F490 V506 R507	I484-Q509 PolarHBondContact O-NE2 3.14Å; I484-Q509 PolarHBondContact O-OE1 3.29Å; G487-Q509 VanDerWaalsContact CA-NE2 3.32Å; V488-Q509 VanDerWaalsContact O-CB 3.3Å; V488-Q509 WeakPolarHBondContact O-CB 3.35Å; V488-Q509 VanDerWaalsContact O-CG 3.27Å; V488-Q509 WeakPolarHBondContact O-CG 3.43Å; V488-Q509 PolarHBondContact O-NE2 3.01Å; K489-Q509 CarbonylContact C-O 3.51Å; K489-Q509 WeakPolarHBondContact CA-O 3.5Å; F490-Q509 HydrophobicContact CD2-CB 4.09Å; F490-Q509 HydrophobicContact CE2-CB 4.45Å; F490-Q509 PolarHBondContact N-O 3.13Å; V506-Q509 HydrophobicContact CG1-CB 3.73Å; R507-Q509 PolarHBondContact O-N 2.87Å
510	I	89.3	Confident	83.5	Confident	54 Å²	54	45 Å²	45	28%	0.277	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	122.6	-177.8	-47.9	179.9	0	0	0	110.7	L495 F499 V506 E508 D512	L495-I510 HydrophobicContact CB-CG2 4.03Å; L495-I510 HydrophobicContact CD1-CG2 3.86Å; F499-I510 HydrophobicContact CD2-CD1 3.71Å; F499-I510 HydrophobicContact CD2-CG1 4.25Å; F499-I510 HydrophobicContact CE2-CD1 3.76Å; F499-I510 HydrophobicContact CE2-CG1 3.78Å; F499-I510 HydrophobicContact CE2-CG2 4.23Å; V506-I510 HydrophobicContact CB-CD1 4Å; V506-I510 HydrophobicContact CB-CG1 3.88Å; V506-I510 HydrophobicContact CG1-CD1 4.33Å; V506-I510 HydrophobicContact CG1-CG1 3.65Å; E508-I510 VanDerWaalsContact C-N 3.26Å; E508-I510 PolarHBondContact O-N 2.95Å; I510-D512 HydrophobicContact CG2-CB 4.08Å
511	I	91.5	Very high	84.4	Confident	23 Å²	23	51 Å²	51	12%	0.118	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	90.8	166.9	-60.8	173.1	0	0	0	107	L433 K489 F490 V491 G492 L516 Y557	L433-I511 HydrophobicContact CD2-CD1 3.77Å; K489-I511 HydrophobicContact CB-CD1 4.05Å; K489-I511 HydrophobicContact CD-CD1 4.21Å; F490-I511 PolarHBondContact O-N 3.28Å; V491-I511 WeakPolarHBondContact CA-O 3.43Å; V491-I511 HydrophobicContact CG1-CG2 4.41Å; V491-I511 HydrophobicContact CG2-CB 4.1Å; V491-I511 HydrophobicContact CG2-CD1 4.06Å; V491-I511 HydrophobicContact CG2-CG2 4.29Å; G492-I511 PolarHBondContact N-O 3.3Å; G492-I511 VanDerWaalsContact N-O 3.12Å; I511-L516 HydrophobicContact CG2-CD1 4.02Å; I511-Y557 HydrophobicContact CD1-CE1 4.04Å; I511-Y557 HydrophobicContact CD1-CE2 4.21Å; I511-Y557 HydrophobicContact CG2-CD1 4.49Å; I511-Y557 HydrophobicContact CG2-CD2 3.44Å; I511-Y557 VanDerWaalsContact CG2-CD2 3.44Å; I511-Y557 HydrophobicContact CG2-CE2 3.57Å; I511-Y557 HydrophobicContact CG2-CG 3.94Å
512	D	92.1	Very high	85.4	Confident	13 Å²	13	55.4 Å²	55.4	7%	0.07	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	103.9	-178.8	-170.6	-8.4	0	0	0	110.6	G494 I510 V514 Q515 L516	G494-D512 PolarHBondContact N-OD1 2.96Å; I510-D512 HydrophobicContact CG2-CB 4.08Å; D512-V514 PolarHBondContact O-N 2.86Å; D512-V514 VanDerWaalsContact O-N 3.14Å; D512-V514 VanDerWaalsContact OD1-CG1 3.27Å; D512-V514 WeakPolarHBondContact OD1-CG1 3.35Å; D512-V514 PolarHBondContact OD1-N 2.87Å; D512-V514 VanDerWaalsContact OD1-N 3.1Å; D512-Q515 HydrophobicContact CB-CG 4.19Å; D512-Q515 PolarHBondContact O-N 2.64Å; D512-L516 PolarHBondContact O-N 2.85Å; D512-L516 VanDerWaalsContact O-N 3.15Å
513	T	94.4	Very high	86.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.7	-26	-179.6	58.3	0	0	0	0	113	V491 G492 H493 Q515 L516 F517 A553 L556	V491-T513 HydrophobicContact CG1-CG2 4.43Å; G492-T513 WeakPolarHBondContact O-CB 3.29Å; G492-T513 WeakPolarHBondContact O-CG2 3.45Å; G492-T513 PolarHBondContact O-N 2.79Å; G492-T513 PolarHBondContact O-OG1 2.83Å; H493-T513 WeakPolarHBondContact CB-OG1 3.45Å; H493-T513 PolarHBondContact ND1-OG1 3.4Å; T513-Q515 PolarHBondContact O-N 2.92Å; T513-L516 HydrophobicContact CG2-CD1 4.5Å; T513-L516 PolarHBondContact O-N 3.33Å; T513-F517 PolarHBondContact O-N 3.38Å; T513-F517 VanDerWaalsContact O-N 3.08Å; T513-A553 WeakPolarHBondContact CG2-O 3.5Å; T513-L556 HydrophobicContact CG2-CB 4.18Å
514	V	93.2	Very high	87.8	Confident	8 Å²	8	64.1 Å²	64.1	5%	0.048	29%	0.286	C	S	.	.	H	α-helix	trans	-69.7	-20.8	175.8	92.7	0	0	0	0	112.6	H493 D512 R518 L524 V525	H493-V514 VanDerWaalsContact CE1-CG2 3.5Å; H493-V514 WeakPolarHBondContact CE1-CG2 3.41Å; H493-V514 WeakPolarHBondContact NE2-CG2 3.45Å; D512-V514 PolarHBondContact O-N 2.86Å; D512-V514 VanDerWaalsContact O-N 3.14Å; D512-V514 VanDerWaalsContact OD1-CG1 3.27Å; D512-V514 WeakPolarHBondContact OD1-CG1 3.35Å; D512-V514 PolarHBondContact OD1-N 2.87Å; D512-V514 VanDerWaalsContact OD1-N 3.1Å; V514-R518 WeakPolarHBondContact O-CB 3.34Å; V514-L524 HydrophobicContact CG1-CD2 4.31Å; V514-L524 HydrophobicContact CG2-CB 3.9Å; V514-L524 HydrophobicContact CG2-CD2 4.19Å; V514-L524 HydrophobicContact CG2-CG 4.41Å; V514-V525 WeakPolarHBondContact CG2-O 3.49Å
515	Q	91.7	Very high	88.7	Confident	83 Å²	83	63.9 Å²	63.9	39%	0.388	29%	0.285	S	S	.	.	H	α-helix	trans	-93.2	-31	172.5	-52.9	-54.6	-36.2	0	0	111.9	D512 T513 R518	D512-Q515 HydrophobicContact CB-CG 4.19Å; D512-Q515 PolarHBondContact O-N 2.64Å; T513-Q515 PolarHBondContact O-N 2.92Å; Q515-R518 WeakPolarHBondContact O-CB 3.41Å; Q515-R518 PolarHBondContact O-N 3.22Å
516	L	93.3	Very high	89.6	Confident	42 Å²	42	64.2 Å²	64.2	22%	0.22	29%	0.294	C	S	.	.	H	α-helix	trans	-60.5	-50.5	174.1	-62.4	-179.3	0	0	0	110.9	I511 D512 T513 R518 Y557 Y560 F571	I511-L516 HydrophobicContact CG2-CD1 4.02Å; D512-L516 PolarHBondContact O-N 2.85Å; D512-L516 VanDerWaalsContact O-N 3.15Å; T513-L516 HydrophobicContact CG2-CD1 4.5Å; T513-L516 PolarHBondContact O-N 3.33Å; L516-R518 PolarHBondContact O-N 3Å; L516-R518 VanDerWaalsContact O-N 3.14Å; L516-Y557 HydrophobicContact CD1-CD2 3.83Å; L516-Y557 HydrophobicContact CD1-CE2 4.38Å; L516-Y560 HydrophobicContact CB-CD2 4.16Å; L516-Y560 HydrophobicContact CB-CE2 4.23Å; L516-Y560 HydrophobicContact CD1-CD1 3.89Å; L516-Y560 HydrophobicContact CD1-CD2 4.41Å; L516-Y560 HydrophobicContact CD1-CE1 4.2Å; L516-Y560 HydrophobicContact CD1-CG 4Å; L516-Y560 HydrophobicContact CD2-CE1 4.08Å; L516-Y560 HydrophobicContact CD2-CE2 4.33Å; L516-F571 WeakPolarHBondContact O-CZ 3.08Å
517	F	94.5	Very high	90.3	Very high	1 Å²	1	64.3 Å²	64.3	0%	0.004	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	40.3	180	-67.8	-85.2	0	0	0	113	T513 L530 F534 L556 Y560 F571 L575 L578	T513-F517 PolarHBondContact O-N 3.38Å; T513-F517 VanDerWaalsContact O-N 3.08Å; F517-L530 HydrophobicContact CB-CD1 4.16Å; F517-L530 HydrophobicContact CB-CD2 3.82Å; F517-L530 HydrophobicContact CD1-CD2 4.44Å; F517-L530 HydrophobicContact CG-CD1 4.5Å; F517-L530 HydrophobicContact CG-CD2 4.13Å; F517-F534 AromaticContact CD1-CE2 3.63Å; F517-F534 HydrophobicContact CD1-CE2 3.63Å; F517-F534 AromaticContact CD1-CZ 3.91Å; F517-F534 HydrophobicContact CD1-CZ 3.91Å; F517-F534 HydrophobicContact CE1-CD2 4.28Å; F517-F534 AromaticContact CE1-CE2 3.45Å; F517-F534 HydrophobicContact CE1-CE2 3.45Å; F517-F534 VanDerWaalsContact CE1-CE2 3.45Å; F517-F534 AromaticContact CE1-CZ 3.61Å; F517-F534 HydrophobicContact CE1-CZ 3.61Å; F517-F534 HydrophobicContact CZ-CE2 4.26Å; F517-L556 HydrophobicContact CD2-CD2 3.98Å; F517-L556 HydrophobicContact CE1-CD2 4.41Å; F517-L556 HydrophobicContact CE2-CB 4.41Å; F517-L556 HydrophobicContact CE2-CD2 3.49Å; F517-L556 VanDerWaalsContact CE2-CD2 3.49Å; F517-L556 HydrophobicContact CZ-CD2 3.73Å; F517-Y560 HydrophobicContact CZ-CD2 4.4Å; F517-F571 HydrophobicContact CD1-CE2 4.2Å; F517-F571 HydrophobicContact CD1-CZ 4.38Å; F517-F571 AromaticContact CE1-CE2 3.97Å; F517-F571 HydrophobicContact CE1-CE2 3.97Å; F517-L575 HydrophobicContact CB-CD1 4.42Å; F517-L578 HydrophobicContact CB-CD2 4.37Å; F517-L578 HydrophobicContact CD1-CD2 4.37Å
518	R	93.1	Very high	91.1	Very high	86 Å²	86	65.7 Å²	65.7	33%	0.325	30%	0.3	S	S	.	.			trans	-123	123.2	-176.7	-166.4	-166.3	179	173.8	0.4	113.5	V514 Q515 L516 R522 L524 Y579	V514-R518 WeakPolarHBondContact O-CB 3.34Å; Q515-R518 WeakPolarHBondContact O-CB 3.41Å; Q515-R518 PolarHBondContact O-N 3.22Å; L516-R518 PolarHBondContact O-N 3Å; L516-R518 VanDerWaalsContact O-N 3.14Å; R518-R522 PolarHBondContact NE-O 2.88Å; R518-R522 PolarHBondContact NH2-O 2.84Å; R518-L524 HydrophobicContact CG-CD2 4.17Å; R518-Y579 WeakPolarHBondContact CA-OH 3.49Å
519	L	89.9	Confident	91.8	Very high	31 Å²	31	58.8 Å²	58.8	16%	0.162	27%	0.267	C	S	.	.			trans	-70.2	134.5	165.2	-80.5	175.2	0	0	0	111.3	R521 R522 L575 Y579	L519-R521 PolarHBondContact O-N 3.25Å; L519-R522 HydrophobicContact CB-CB 3.88Å; L519-R522 HydrophobicContact CB-CG 3.55Å; L519-R522 HydrophobicContact CD1-CG 4.36Å; L519-R522 WeakPolarHBondContact O-CB 3.19Å; L519-R522 PolarHBondContact O-N 3.32Å; L519-L575 HydrophobicContact CD2-CD2 3.74Å; L519-L575 HydrophobicContact CD2-CG 4.09Å; L519-L575 HydrophobicContact CG-CD2 3.99Å; L519-L575 HydrophobicContact CG-CG 3.99Å; L519-Y579 HydrophobicContact CB-CD2 4.31Å; L519-Y579 HydrophobicContact CB-CE1 4.41Å; L519-Y579 HydrophobicContact CB-CE2 3.92Å; L519-Y579 HydrophobicContact CD1-CD1 4.18Å; L519-Y579 HydrophobicContact CD1-CD2 3.65Å; L519-Y579 HydrophobicContact CD1-CE2 4.13Å; L519-Y579 HydrophobicContact CD1-CG 3.65Å; L519-Y579 HydrophobicContact CG-CD2 3.84Å; L519-Y579 HydrophobicContact CG-CE2 3.86Å; L519-Y579 HydrophobicContact CG-CG 4.3Å; L519-Y579 PolarHBondContact N-OH 3.37Å; L519-Y579 VanDerWaalsContact N-OH 3.15Å
520	P	86	Confident	92.2	Very high	110 Å²	110	57.6 Å²	57.6	71%	0.714	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	131	177.8	-29.4	35.6	0	0	0	112.8	R522	P520-R522 PolarHBondContact O-N 3.21Å; P520-R522 VanDerWaalsContact O-N 3.08Å
521	R	86.1	Confident	92.5	Very high	250 Å²	250	55 Å²	55	94%	0.943	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	3.5	-177.7	-50.5	176.5	-176.7	158.5	2.1	115.9	L519	L519-R521 PolarHBondContact O-N 3.25Å
522	R	89.1	Confident	92.7	Very high	145 Å²	145	55.6 Å²	55.6	55%	0.547	25%	0.249	S	C	.	.	S	Bend	trans	-88.2	174.1	171.2	-59	-67.1	-167.9	152.7	4.6	111.6	R518 L519 P520 Y579	R518-R522 PolarHBondContact NE-O 2.88Å; R518-R522 PolarHBondContact NH2-O 2.84Å; L519-R522 HydrophobicContact CB-CB 3.88Å; L519-R522 HydrophobicContact CB-CG 3.55Å; L519-R522 HydrophobicContact CD1-CG 4.36Å; L519-R522 WeakPolarHBondContact O-CB 3.19Å; L519-R522 PolarHBondContact O-N 3.32Å; P520-R522 PolarHBondContact O-N 3.21Å; P520-R522 VanDerWaalsContact O-N 3.08Å; R522-Y579 HydrophobicContact CB-CD1 4.23Å; R522-Y579 HydrophobicContact CB-CE1 3.51Å; R522-Y579 HydrophobicContact CG-CE1 4.22Å
523	R	92.3	Very high	92.8	Very high	121 Å²	121	57.3 Å²	57.3	46%	0.457	26%	0.256	S	S	.	.			trans	-59.8	157.5	176.8	67.6	170.2	-76.1	171.2	-4.4	112	Y579 W587	R523-Y579 HydrophobicContact CG-CE1 4.04Å; R523-Y579 PolarHBondContact O-OH 2.92Å; R523-W587 HydrophobicContact CG-CZ2 4.3Å; R523-W587 VanDerWaalsContact NH1-CB 3.32Å
524	L	92.5	Very high	92.8	Very high	81 Å²	81	58.9 Å²	58.9	42%	0.424	26%	0.264	S	S	.	.			trans	-75.3	145.7	163.5	-57.9	179.1	0	0	0	109.3	V514 R518	V514-L524 HydrophobicContact CG1-CD2 4.31Å; V514-L524 HydrophobicContact CG2-CB 3.9Å; V514-L524 HydrophobicContact CG2-CD2 4.19Å; V514-L524 HydrophobicContact CG2-CG 4.41Å; R518-L524 HydrophobicContact CG-CD2 4.17Å
525	V	94.1	Very high	92.9	Very high	3 Å²	3	61.8 Å²	61.8	2%	0.018	28%	0.276	C	S	.	.			trans	-106.5	135.7	178.4	-170.1	0	0	0	0	108	H493 V514 F529 L530 Y579 W587	H493-V525 PolarHBondContact CE1-O 2.85Å; H493-V525 VanDerWaalsContact CE1-O 3.23Å; H493-V525 PolarHBondContact NE2-O 3Å; V514-V525 WeakPolarHBondContact CG2-O 3.49Å; V525-F529 HydrophobicContact CG1-CB 4.26Å; V525-F529 HydrophobicContact CG1-CD1 3.74Å; V525-F529 HydrophobicContact CG1-CG 4.38Å; V525-L530 HydrophobicContact CB-CD2 4.11Å; V525-L530 HydrophobicContact CB-CG 4.22Å; V525-L530 HydrophobicContact CG1-CD2 3.74Å; V525-L530 HydrophobicContact CG1-CG 3.82Å; V525-Y579 HydrophobicContact CG2-CE1 4.36Å; V525-Y579 HydrophobicContact CG2-CE2 4.08Å; V525-W587 HydrophobicContact CB-CZ3 4.24Å; V525-W587 HydrophobicContact CG1-CE3 3.99Å; V525-W587 HydrophobicContact CG1-CZ3 3.69Å; V525-W587 HydrophobicContact CG2-CE3 4.42Å; V525-W587 HydrophobicContact CG2-CH2 4.02Å; V525-W587 HydrophobicContact CG2-CZ3 3.57Å
526	S	93.7	Very high	93	Very high	51 Å²	51	60.1 Å²	60.1	36%	0.357	28%	0.281	S	S	.	.			trans	-78	148.1	-176.6	52.8	0	0	0	0	112.6	R528 F529 L530	S526-R528 VanDerWaalsContact C-N 3.28Å; S526-R528 PolarHBondContact O-N 3.06Å; S526-F529 PolarHBondContact O-N 3.25Å; S526-L530 PolarHBondContact O-N 3.19Å
527	L	93.9	Very high	92.9	Very high	10 Å²	10	62 Å²	62	5%	0.052	29%	0.29	C	S	.	.	H	α-helix	trans	-47.9	-49.3	175.5	-169.9	66	0	0	0	112	H493 F529 L530 I531 I539 D549 A553 L556	H493-L527 HydrophobicContact CB-CB 4.48Å; H493-L527 HydrophobicContact CB-CD1 3.93Å; H493-L527 HydrophobicContact CB-CD2 4.47Å; H493-L527 PolarHBondContact CE1-N 3.07Å; H493-L527 PolarHBondContact NE2-N 3.38Å; L527-F529 VanDerWaalsContact C-N 3.29Å; L527-F529 PolarHBondContact O-N 2.69Å; L527-L530 PolarHBondContact O-N 2.68Å; L527-I531 HydrophobicContact CD1-CG1 4.21Å; L527-I531 HydrophobicContact CG-CG1 4.25Å; L527-I531 WeakPolarHBondContact O-CB 3.43Å; L527-I531 VanDerWaalsContact O-CG1 3.27Å; L527-I531 WeakPolarHBondContact O-CG1 3.24Å; L527-I531 PolarHBondContact O-N 2.89Å; L527-I539 HydrophobicContact CB-CD1 4.46Å; L527-I539 HydrophobicContact CD2-CD1 3.98Å; L527-I539 HydrophobicContact CG-CD1 3.81Å; L527-D549 HydrophobicContact CD2-CB 3.68Å; L527-A553 HydrophobicContact CD1-CB 4.29Å; L527-L556 HydrophobicContact CD1-CD1 3.56Å
528	R	93.6	Very high	92.7	Very high	97 Å²	97	65.8 Å²	65.8	37%	0.366	30%	0.304	S	S	.	.	H	α-helix	trans	-55	-39.7	177.8	-161.9	179.5	76.1	154.9	2.8	114	S526 W532 I539 V589	S526-R528 VanDerWaalsContact C-N 3.28Å; S526-R528 PolarHBondContact O-N 3.06Å; R528-W532 WeakPolarHBondContact O-CB 3.49Å; R528-W532 PolarHBondContact O-N 3.01Å; R528-I539 HydrophobicContact CB-CG1 4.28Å; R528-I539 HydrophobicContact CG-CG1 4.09Å; R528-V589 HydrophobicContact CG-CG2 4.39Å
529	F	95.1	Very high	92.6	Very high	1 Å²	1	61.9 Å²	61.9	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-75.1	-41.5	179.2	-172.7	-89.9	0	0	0	111.3	V525 S526 L527 W532 H533 L578 L585 W587 V589	V525-F529 HydrophobicContact CG1-CB 4.26Å; V525-F529 HydrophobicContact CG1-CD1 3.74Å; V525-F529 HydrophobicContact CG1-CG 4.38Å; S526-F529 PolarHBondContact O-N 3.25Å; L527-F529 VanDerWaalsContact C-N 3.29Å; L527-F529 PolarHBondContact O-N 2.69Å; F529-W532 HydrophobicContact CD2-CE3 4.41Å; F529-W532 HydrophobicContact CE2-CE3 4.18Å; F529-W532 HydrophobicContact CE2-CZ3 4.04Å; F529-W532 HydrophobicContact CZ-CZ3 4.22Å; F529-W532 PolarHBondContact O-N 3.17Å; F529-H533 HydrophobicContact CE1-CB 4.38Å; F529-H533 VanDerWaalsContact O-CB 3.27Å; F529-H533 WeakPolarHBondContact O-CB 3.42Å; F529-H533 PolarHBondContact O-N 2.92Å; F529-L578 HydrophobicContact CD1-CD1 4.31Å; F529-L578 HydrophobicContact CE1-CD1 3.97Å; F529-L585 HydrophobicContact CE2-CB 4.44Å; F529-L585 HydrophobicContact CE2-CD1 4.34Å; F529-L585 HydrophobicContact CZ-CD1 4.41Å; F529-W587 HydrophobicContact CD1-CE3 4.1Å; F529-W587 HydrophobicContact CD1-CZ3 4.35Å; F529-W587 HydrophobicContact CE1-CE3 4.05Å; F529-W587 HydrophobicContact CE1-CZ3 4.18Å; F529-W587 HydrophobicContact CZ-CE3 4.47Å; F529-V589 HydrophobicContact CD2-CG2 4.27Å
530	L	96.5	Very high	92.2	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-45.2	177.5	-68.1	172.4	0	0	0	112.1	F517 V525 S526 L527 H533 F534 L556 L578	F517-L530 HydrophobicContact CB-CD1 4.16Å; F517-L530 HydrophobicContact CB-CD2 3.82Å; F517-L530 HydrophobicContact CD1-CD2 4.44Å; F517-L530 HydrophobicContact CG-CD1 4.5Å; F517-L530 HydrophobicContact CG-CD2 4.13Å; V525-L530 HydrophobicContact CB-CD2 4.11Å; V525-L530 HydrophobicContact CB-CG 4.22Å; V525-L530 HydrophobicContact CG1-CD2 3.74Å; V525-L530 HydrophobicContact CG1-CG 3.82Å; S526-L530 PolarHBondContact O-N 3.19Å; L527-L530 PolarHBondContact O-N 2.68Å; L530-H533 PolarHBondContact O-N 2.93Å; L530-F534 HydrophobicContact CD2-CE2 4.1Å; L530-F534 WeakPolarHBondContact O-CD2 3.44Å; L530-F534 PolarHBondContact O-N 2.81Å; L530-L556 HydrophobicContact CB-CD1 3.6Å; L530-L556 HydrophobicContact CB-CD2 3.95Å; L530-L556 HydrophobicContact CB-CG 4.38Å; L530-L556 HydrophobicContact CD1-CD1 4.03Å; L530-L556 HydrophobicContact CG-CD1 4.47Å; L530-L578 HydrophobicContact CD2-CD1 4.12Å; L530-L578 HydrophobicContact CD2-CD2 3.61Å; L530-L578 HydrophobicContact CD2-CG 4.48Å
531	I	96.1	Very high	91.8	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.8	-41.4	-179.7	-65.4	-72.2	0	0	0	111.3	L527 F535 I537 I539 S552 M555 L556	L527-I531 HydrophobicContact CD1-CG1 4.21Å; L527-I531 HydrophobicContact CG-CG1 4.25Å; L527-I531 WeakPolarHBondContact O-CB 3.43Å; L527-I531 VanDerWaalsContact O-CG1 3.27Å; L527-I531 WeakPolarHBondContact O-CG1 3.24Å; L527-I531 PolarHBondContact O-N 2.89Å; I531-F535 HydrophobicContact CD1-CD2 4.28Å; I531-F535 HydrophobicContact CD1-CE2 4.21Å; I531-F535 WeakPolarHBondContact O-CB 3.27Å; I531-F535 WeakPolarHBondContact O-CD2 3.21Å; I531-F535 PolarHBondContact O-N 3.08Å; I531-I537 HydrophobicContact CG2-CB 3.85Å; I531-I537 HydrophobicContact CG2-CG2 4.11Å; I531-I539 HydrophobicContact CB-CD1 4.25Å; I531-I539 HydrophobicContact CB-CG1 4.36Å; I531-I539 HydrophobicContact CG1-CD1 3.96Å; I531-I539 HydrophobicContact CG2-CG1 4.39Å; I531-I539 HydrophobicContact CG2-CG2 3.92Å; I531-S552 WeakPolarHBondContact CD1-O 3.44Å; I531-M555 HydrophobicContact CD1-CE 3.59Å; I531-M555 HydrophobicContact CG2-CE 4.2Å; I531-L556 HydrophobicContact CD1-CD1 3.58Å; I531-L556 HydrophobicContact CD1-CG 3.8Å; I531-L556 HydrophobicContact CG1-CD1 3.84Å
532	W	95.3	Very high	91.4	Very high	35 Å²	35	52.7 Å²	52.7	13%	0.133	28%	0.276	C	S	.	.	H	α-helix	trans	-64.8	-44.5	173.5	173.1	74.8	0	0	0	112.2	R528 F529 G536 I537 L585 V589 P590 L594	R528-W532 WeakPolarHBondContact O-CB 3.49Å; R528-W532 PolarHBondContact O-N 3.01Å; F529-W532 HydrophobicContact CD2-CE3 4.41Å; F529-W532 HydrophobicContact CE2-CE3 4.18Å; F529-W532 HydrophobicContact CE2-CZ3 4.04Å; F529-W532 HydrophobicContact CZ-CZ3 4.22Å; F529-W532 PolarHBondContact O-N 3.17Å; W532-G536 WeakPolarHBondContact O-CA 3.4Å; W532-G536 PolarHBondContact O-N 3.5Å; W532-I537 VanDerWaalsContact CA-O 3.29Å; W532-I537 WeakPolarHBondContact CA-O 3.28Å; W532-I537 PolarHBondContact N-O 2.67Å; W532-L585 HydrophobicContact CH2-CD1 3.46Å; W532-L585 VanDerWaalsContact CH2-CD1 3.46Å; W532-L585 HydrophobicContact CZ3-CD1 3.53Å; W532-V589 HydrophobicContact CB-CG1 4.04Å; W532-V589 HydrophobicContact CB-CG2 3.87Å; W532-V589 HydrophobicContact CD2-CB 4.48Å; W532-V589 HydrophobicContact CD2-CG1 3.89Å; W532-V589 HydrophobicContact CD2-CG2 4.27Å; W532-V589 HydrophobicContact CE3-CG2 4.37Å; W532-V589 HydrophobicContact CG-CB 4.36Å; W532-V589 HydrophobicContact CG-CG1 3.52Å; W532-V589 HydrophobicContact CG-CG2 4.04Å; W532-P590 HydrophobicContact CH2-CG 3.92Å; W532-P590 VanDerWaalsContact CZ2-CD 3.47Å; W532-P590 HydrophobicContact CZ2-CG 3.81Å; W532-L594 HydrophobicContact CZ2-CD1 4.47Å
533	H	94.8	Very high	90.7	Very high	48 Å²	48	49.3 Å²	49.3	22%	0.222	27%	0.271	C	S	.	.	H	α-helix	trans	-65.7	-43.9	-177.9	-177.4	-80.2	0	0	0	112.7	F529 L530 L578 H581	F529-H533 HydrophobicContact CE1-CB 4.38Å; F529-H533 VanDerWaalsContact O-CB 3.27Å; F529-H533 WeakPolarHBondContact O-CB 3.42Å; F529-H533 PolarHBondContact O-N 2.92Å; L530-H533 PolarHBondContact O-N 2.93Å; H533-L578 HydrophobicContact CB-CD1 4.08Å; H533-L578 WeakPolarHBondContact NE2-CA 3.43Å; H533-H581 AromaticContact CD2-ND1 3.9Å; H533-H581 WeakPolarHBondContact NE2-CB 3.48Å; H533-H581 AromaticContact NE2-CG 3.36Å; H533-H581 AromaticContact NE2-ND1 2.85Å; H533-H581 PolarHBondContact NE2-ND1 3.26Å
534	F	94.5	Very high	89.8	Confident	34 Å²	34	45.8 Å²	45.8	15%	0.149	26%	0.26	C	S	.	.	H	α-helix	trans	-88.4	-20.4	-175.6	-72.8	-64	0	0	0	115.3	F517 L530 L556 I574 L578	F517-F534 AromaticContact CD1-CE2 3.63Å; F517-F534 HydrophobicContact CD1-CE2 3.63Å; F517-F534 AromaticContact CD1-CZ 3.91Å; F517-F534 HydrophobicContact CD1-CZ 3.91Å; F517-F534 HydrophobicContact CE1-CD2 4.28Å; F517-F534 AromaticContact CE1-CE2 3.45Å; F517-F534 HydrophobicContact CE1-CE2 3.45Å; F517-F534 VanDerWaalsContact CE1-CE2 3.45Å; F517-F534 AromaticContact CE1-CZ 3.61Å; F517-F534 HydrophobicContact CE1-CZ 3.61Å; F517-F534 HydrophobicContact CZ-CE2 4.26Å; L530-F534 HydrophobicContact CD2-CE2 4.1Å; L530-F534 WeakPolarHBondContact O-CD2 3.44Å; L530-F534 PolarHBondContact O-N 2.81Å; F534-L556 HydrophobicContact CD2-CD2 3.93Å; F534-L556 HydrophobicContact CE2-CD2 4.44Å; F534-I574 HydrophobicContact CE1-CG2 3.69Å; F534-I574 HydrophobicContact CZ-CG2 4.01Å; F534-L578 HydrophobicContact CE2-CD1 4.28Å; F534-L578 HydrophobicContact CE2-CD2 4.22Å; F534-L578 HydrophobicContact CZ-CD1 4.49Å; F534-L578 HydrophobicContact CZ-CD2 4.34Å
535	F	95.4	Very high	89.3	Confident	69 Å²	69	44.4 Å²	44.4	30%	0.303	25%	0.253	S	S	.	.	H	α-helix	trans	-132.9	-7	-173.7	-51.1	-90.8	0	0	0	114.4	I531 I537 M555 L556 K559	I531-F535 HydrophobicContact CD1-CD2 4.28Å; I531-F535 HydrophobicContact CD1-CE2 4.21Å; I531-F535 WeakPolarHBondContact O-CB 3.27Å; I531-F535 WeakPolarHBondContact O-CD2 3.21Å; I531-F535 PolarHBondContact O-N 3.08Å; F535-I537 HydrophobicContact CB-CB 4.44Å; F535-I537 HydrophobicContact CB-CD1 3.94Å; F535-I537 HydrophobicContact CB-CG1 4.03Å; F535-I537 PolarHBondContact O-N 3.22Å; F535-M555 HydrophobicContact CB-CE 4.38Å; F535-M555 HydrophobicContact CD1-CE 4.03Å; F535-M555 HydrophobicContact CD1-CG 4.36Å; F535-M555 HydrophobicContact CD1-SD 3.98Å; F535-M555 HydrophobicContact CD2-CE 3.64Å; F535-M555 HydrophobicContact CE1-CE 4.16Å; F535-M555 HydrophobicContact CE1-CG 3.71Å; F535-M555 HydrophobicContact CE1-SD 3.95Å; F535-M555 HydrophobicContact CE2-CE 3.79Å; F535-M555 HydrophobicContact CE2-CG 4.34Å; F535-M555 HydrophobicContact CG-CE 3.76Å; F535-M555 HydrophobicContact CG-SD 4.31Å; F535-M555 HydrophobicContact CZ-CE 4.03Å; F535-M555 HydrophobicContact CZ-CG 3.68Å; F535-M555 WeakPolarHBondContact CZ-O 3.35Å; F535-M555 HydrophobicContact CZ-SD 4.25Å; F535-L556 HydrophobicContact CE2-CG 4.3Å; F535-K559 HydrophobicContact CE1-CB 4.27Å; F535-K559 HydrophobicContact CE1-CG 4.44Å; F535-K559 HydrophobicContact CZ-CB 3.63Å; F535-K559 HydrophobicContact CZ-CG 3.95Å
536	G	92.6	Very high	88.6	Confident	48 Å²	48	44.9 Å²	44.9	50%	0.495	26%	0.256	S	S	.	.			trans	71.2	0.5	-173.4	0	0	0	0	0	114.8	W532	W532-G536 WeakPolarHBondContact O-CA 3.4Å; W532-G536 PolarHBondContact O-N 3.5Å
537	I	92.6	Very high	88	Confident	81 Å²	81	44.3 Å²	44.3	42%	0.415	25%	0.249	S	C	.	.			trans	-82.4	138.5	-173.3	-62.9	171.2	0	0	0	110.7	I531 W532 F535 I539 M555	I531-I537 HydrophobicContact CG2-CB 3.85Å; I531-I537 HydrophobicContact CG2-CG2 4.11Å; W532-I537 VanDerWaalsContact CA-O 3.29Å; W532-I537 WeakPolarHBondContact CA-O 3.28Å; W532-I537 PolarHBondContact N-O 2.67Å; F535-I537 HydrophobicContact CB-CB 4.44Å; F535-I537 HydrophobicContact CB-CD1 3.94Å; F535-I537 HydrophobicContact CB-CG1 4.03Å; F535-I537 PolarHBondContact O-N 3.22Å; I537-I539 HydrophobicContact CG2-CG2 4.08Å; I537-M555 HydrophobicContact CD1-CE 4.23Å; I537-M555 HydrophobicContact CD1-SD 4.5Å
538	R	90.5	Very high	87.7	Confident	80 Å²	80	46.5 Å²	46.5	30%	0.302	26%	0.259	S	S	.	.			trans	-105.2	90.5	178.3	-64.7	172.3	-179.1	-83.3	-5.1	111.2	P590 T591 E592 N593	R538-P590 PolarHBondContact NH1-O 3.46Å; R538-P590 PolarHBondContact NH2-O 2.87Å; R538-T591 PolarHBondContact NH2-O 3.22Å; R538-E592 PolarHBondContact NH2-O 2.92Å; R538-E592 VanDerWaalsContact NH2-O 3.15Å; R538-N593 PolarHBondContact NE-OD1 3.08Å; R538-N593 PolarHBondContact NH2-OD1 3.43Å
539	I	89.6	Confident	87.4	Confident	5 Å²	5	42.3 Å²	42.3	3%	0.026	24%	0.244	C	C	.	.			trans	-81	168.1	170.6	63.7	165.4	0	0	0	111.6	L527 R528 I531 I537 S541 E548	L527-I539 HydrophobicContact CB-CD1 4.46Å; L527-I539 HydrophobicContact CD2-CD1 3.98Å; L527-I539 HydrophobicContact CG-CD1 3.81Å; R528-I539 HydrophobicContact CB-CG1 4.28Å; R528-I539 HydrophobicContact CG-CG1 4.09Å; I531-I539 HydrophobicContact CB-CD1 4.25Å; I531-I539 HydrophobicContact CB-CG1 4.36Å; I531-I539 HydrophobicContact CG1-CD1 3.96Å; I531-I539 HydrophobicContact CG2-CG1 4.39Å; I531-I539 HydrophobicContact CG2-CG2 3.92Å; I537-I539 HydrophobicContact CG2-CG2 4.08Å; I539-S541 VanDerWaalsContact C-N 3.26Å; I539-S541 PolarHBondContact O-N 3.37Å; I539-E548 HydrophobicContact CB-CG 3.97Å; I539-E548 HydrophobicContact CG2-CG 3.79Å
540	Q	81.5	Confident	87	Confident	29 Å²	29	42.3 Å²	42.3	14%	0.136	24%	0.244	C	C	.	.			trans	55.1	39.6	173.9	-55.4	170.6	-10.5	0	0	112.9	H544 E548 D549	Q540-H544 PolarHBondContact NE2-CE1 3.3Å; Q540-H544 PolarHBondContact NE2-ND1 3.14Å; Q540-H544 PolarHBondContact OE1-CE1 3.16Å; Q540-H544 VanDerWaalsContact OE1-CE1 3.26Å; Q540-E548 PolarHBondContact N-OE2 2.86Å; Q540-D549 WeakPolarHBondContact CG-OD1 3.46Å; Q540-D549 PolarHBondContact NE2-OD1 2.91Å; Q540-D549 PolarHBondContact NE2-OD2 2.86Å
541	S	77.8	Confident	86.6	Confident	109 Å²	109	48 Å²	48	76%	0.762	27%	0.265	S	S	*	.	S	Bend	trans	-83.6	-16	-179.5	34	0	0	0	0	113.5	I539	I539-S541 VanDerWaalsContact C-N 3.26Å; I539-S541 PolarHBondContact O-N 3.37Å
542	G	78	Confident	86.4	Confident	60 Å²	60	48.4 Å²	48.4	62%	0.619	27%	0.268	S	S	*	.	S	Bend	trans	-118.1	-129.6	171.4	0	0	0	0	0	112
543	T	74.4	Confident	86.3	Confident	74 Å²	74	46.8 Å²	46.8	45%	0.454	26%	0.262	S	S	.	.	S	Bend	trans	-67.7	143.9	160.6	44.7	0	0	0	0	109.9	T451	T451-T543 HydrophobicContact CG2-CG2 4.46Å
544	H	74.5	Confident	86.1	Confident	47 Å²	47	45.5 Å²	45.5	22%	0.218	26%	0.257	C	S	.	.			trans	-56.3	145.8	170.6	-83.7	-122.7	0	0	0	111.7	K452 F453 Q540 D549	K452-H544 PolarHBondContact O-CD2 3.09Å; K452-H544 VanDerWaalsContact O-CD2 3.3Å; K452-H544 PolarHBondContact O-N 3.46Å; F453-H544 WeakPolarHBondContact O-CB 3.5Å; Q540-H544 PolarHBondContact NE2-CE1 3.3Å; Q540-H544 PolarHBondContact NE2-ND1 3.14Å; Q540-H544 PolarHBondContact OE1-CE1 3.16Å; Q540-H544 VanDerWaalsContact OE1-CE1 3.26Å; H544-D549 IonicContact ND1-OD2 2.75Å; H544-D549 PolarHBondContact ND1-OD2 3.4Å
545	D	81.6	Confident	86	Confident	52 Å²	52	46.2 Å²	46.2	28%	0.278	26%	0.261	S	S	.	.			trans	-134	102.9	175.9	-173.7	87.1	0	0	0	108.8	K12 D547 E548 D549	K12-D545 IonicContact NZ-OD1 3.18Å; K12-D545 PolarHBondContact NZ-OD1 3.23Å; K12-D545 IonicContact NZ-OD2 2.75Å; K12-D545 PolarHBondContact NZ-OD2 2.84Å; D545-D547 PolarHBondContact O-N 3.38Å; D545-D547 WeakPolarHBondContact OD2-CA 2.93Å; D545-D547 VanDerWaalsContact OD2-CB 3.29Å; D545-D547 WeakPolarHBondContact OD2-CB 3.37Å; D545-D547 PolarHBondContact OD2-N 3.15Å; D545-E548 HydrophobicContact CB-CB 4.14Å; D545-E548 WeakPolarHBondContact O-CA 3.37Å; D545-E548 VanDerWaalsContact O-CB 3.29Å; D545-E548 WeakPolarHBondContact O-CB 3.27Å; D545-E548 PolarHBondContact O-N 3.34Å; D545-E548 PolarHBondContact OD2-N 3.23Å; D545-E548 VanDerWaalsContact OD2-N 3.08Å; D545-D549 PolarHBondContact O-N 2.9Å
546	S	79.6	Confident	86	Confident	12 Å²	12	43 Å²	43	8%	0.084	25%	0.247	C	C	.	.	H	α-helix	trans	-63.1	-3	-177.9	19.7	0	0	0	0	115.2	K12 D437 A550	K12-S546 WeakPolarHBondContact CE-OG 3.42Å; K12-S546 WeakPolarHBondContact CG-OG 3.42Å; D437-S546 WeakPolarHBondContact OD2-CB 3.27Å; S546-A550 VanDerWaalsContact O-CB 3.23Å; S546-A550 WeakPolarHBondContact O-CB 3.3Å; S546-A550 PolarHBondContact O-N 3.37Å; S546-A550 VanDerWaalsContact O-N 3.16Å
547	D	80.2	Confident	86.1	Confident	39 Å²	39	42.8 Å²	42.8	21%	0.209	23%	0.232	C	C	.	.	H	α-helix	trans	-87.8	-38.4	167.4	-47.8	-30.3	0	0	0	110.5	L10 K12 D545 D549 R551	L10-D547 HydrophobicContact CD1-CB 4.05Å; L10-D547 HydrophobicContact CD2-CB 3.5Å; L10-D547 WeakPolarHBondContact CD2-OD1 3.39Å; L10-D547 HydrophobicContact CG-CB 4.41Å; K12-D547 WeakPolarHBondContact CB-OD1 3.48Å; K12-D547 WeakPolarHBondContact CD-OD1 3.18Å; K12-D547 VanDerWaalsContact CE-OD1 3.3Å; K12-D547 WeakPolarHBondContact CE-OD1 3.5Å; K12-D547 WeakPolarHBondContact CG-OD1 3.32Å; K12-D547 IonicContact NZ-OD1 2.86Å; K12-D547 PolarHBondContact NZ-OD1 2.95Å; K12-D547 IonicContact NZ-OD2 3.89Å; K12-D547 PolarHBondContact NZ-OD2 2.81Å; D545-D547 PolarHBondContact O-N 3.38Å; D545-D547 WeakPolarHBondContact OD2-CA 2.93Å; D545-D547 VanDerWaalsContact OD2-CB 3.29Å; D545-D547 WeakPolarHBondContact OD2-CB 3.37Å; D545-D547 PolarHBondContact OD2-N 3.15Å; D547-D549 VanDerWaalsContact C-N 3.34Å; D547-R551 VanDerWaalsContact C-CZ 3.46Å; D547-R551 VanDerWaalsContact C-NH2 3.32Å; D547-R551 WeakPolarHBondContact O-CB 3.48Å; D547-R551 WeakPolarHBondContact O-CG 3.41Å; D547-R551 PolarHBondContact O-N 3.37Å; D547-R551 VanDerWaalsContact O-N 3.15Å; D547-R551 PolarHBondContact O-NE 3.08Å; D547-R551 PolarHBondContact O-NH1 3.25Å; D547-R551 PolarHBondContact O-NH2 3Å
548	E	87.2	Confident	86.2	Confident	57 Å²	57	43.7 Å²	43.7	27%	0.266	23%	0.234	S	C	.	.	H	α-helix	trans	-58.8	-46.9	166.4	-178.9	177.9	-123.1	0	0	110.3	I539 Q540 D545 R551 S552	I539-E548 HydrophobicContact CB-CG 3.97Å; I539-E548 HydrophobicContact CG2-CG 3.79Å; Q540-E548 PolarHBondContact N-OE2 2.86Å; D545-E548 HydrophobicContact CB-CB 4.14Å; D545-E548 WeakPolarHBondContact O-CA 3.37Å; D545-E548 VanDerWaalsContact O-CB 3.29Å; D545-E548 WeakPolarHBondContact O-CB 3.27Å; D545-E548 PolarHBondContact O-N 3.34Å; D545-E548 PolarHBondContact OD2-N 3.23Å; D545-E548 VanDerWaalsContact OD2-N 3.08Å; E548-R551 PolarHBondContact O-N 2.71Å; E548-S552 VanDerWaalsContact O-CB 3.23Å; E548-S552 WeakPolarHBondContact O-CB 3.08Å; E548-S552 PolarHBondContact O-N 3.48Å; E548-S552 PolarHBondContact O-OG 3.37Å
549	D	88.3	Confident	86.4	Confident	9 Å²	9	43.3 Å²	43.3	5%	0.048	24%	0.235	C	C	.	.	H	α-helix	trans	-69.2	-41.4	-176.9	-69.1	-21.6	0	0	0	112.3	D437 L527 Q540 H544 D545 D547 S552 A553	D437-D549 VanDerWaalsContact OD2-CB 3.26Å; D437-D549 WeakPolarHBondContact OD2-CB 3.42Å; L527-D549 HydrophobicContact CD2-CB 3.68Å; Q540-D549 WeakPolarHBondContact CG-OD1 3.46Å; Q540-D549 PolarHBondContact NE2-OD1 2.91Å; Q540-D549 PolarHBondContact NE2-OD2 2.86Å; H544-D549 IonicContact ND1-OD2 2.75Å; H544-D549 PolarHBondContact ND1-OD2 3.4Å; D545-D549 PolarHBondContact O-N 2.9Å; D547-D549 VanDerWaalsContact C-N 3.34Å; D549-S552 WeakPolarHBondContact O-CB 3.28Å; D549-S552 PolarHBondContact O-N 3.1Å; D549-A553 WeakPolarHBondContact O-CB 3.33Å; D549-A553 PolarHBondContact O-N 3.49Å
550	A	85.4	Confident	86.6	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-44.7	173.6	0	0	0	0	0	112.7	L10 A435 D437 S546 S552 A553 L554	L10-A550 HydrophobicContact CD1-CB 4.18Å; L10-A550 HydrophobicContact CG-CB 4.13Å; A435-A550 HydrophobicContact CB-CB 4.32Å; D437-A550 HydrophobicContact CB-CB 4.07Å; S546-A550 VanDerWaalsContact O-CB 3.23Å; S546-A550 WeakPolarHBondContact O-CB 3.3Å; S546-A550 PolarHBondContact O-N 3.37Å; S546-A550 VanDerWaalsContact O-N 3.16Å; A550-S552 VanDerWaalsContact C-N 3.31Å; A550-S552 PolarHBondContact O-N 2.87Å; A550-A553 PolarHBondContact O-N 3.45Å; A550-L554 PolarHBondContact O-N 2.89Å; A550-L554 VanDerWaalsContact O-N 3.12Å
551	R	88.4	Confident	87.2	Confident	119 Å²	119	45.7 Å²	45.7	45%	0.449	25%	0.247	S	C	.	.	H	α-helix	trans	-62	-40.9	174.3	-76.2	-175.7	-66.4	-88.4	-1.1	111.7	L10 D547 E548 L554 M555	L10-R551 HydrophobicContact CD1-CG 3.68Å; D547-R551 VanDerWaalsContact C-CZ 3.46Å; D547-R551 VanDerWaalsContact C-NH2 3.32Å; D547-R551 WeakPolarHBondContact O-CB 3.48Å; D547-R551 WeakPolarHBondContact O-CG 3.41Å; D547-R551 PolarHBondContact O-N 3.37Å; D547-R551 VanDerWaalsContact O-N 3.15Å; D547-R551 PolarHBondContact O-NE 3.08Å; D547-R551 PolarHBondContact O-NH1 3.25Å; D547-R551 PolarHBondContact O-NH2 3Å; E548-R551 PolarHBondContact O-N 2.71Å; R551-L554 PolarHBondContact O-N 3.03Å; R551-M555 PolarHBondContact O-N 3.5Å
552	S	93.1	Very high	88	Confident	9 Å²	9	44.8 Å²	44.8	6%	0.063	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-45.5	178.7	-65.5	0	0	0	0	111.8	I531 E548 D549 A550 L554 M555 L556	I531-S552 WeakPolarHBondContact CD1-O 3.44Å; E548-S552 VanDerWaalsContact O-CB 3.23Å; E548-S552 WeakPolarHBondContact O-CB 3.08Å; E548-S552 PolarHBondContact O-N 3.48Å; E548-S552 PolarHBondContact O-OG 3.37Å; D549-S552 WeakPolarHBondContact O-CB 3.28Å; D549-S552 PolarHBondContact O-N 3.1Å; A550-S552 VanDerWaalsContact C-N 3.31Å; A550-S552 PolarHBondContact O-N 2.87Å; S552-L554 VanDerWaalsContact C-N 3.3Å; S552-L554 PolarHBondContact O-N 2.94Å; S552-M555 PolarHBondContact O-N 2.74Å; S552-L556 PolarHBondContact O-N 3.16Å
553	A	93	Very high	88.7	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-61.7	-37.9	175.7	0	0	0	0	0	112.2	H493 T513 L527 D549 A550 L556 Y557	H493-A553 HydrophobicContact CB-CB 4.26Å; T513-A553 WeakPolarHBondContact CG2-O 3.5Å; L527-A553 HydrophobicContact CD1-CB 4.29Å; D549-A553 WeakPolarHBondContact O-CB 3.33Å; D549-A553 PolarHBondContact O-N 3.49Å; A550-A553 PolarHBondContact O-N 3.45Å; A553-L556 PolarHBondContact O-N 3.05Å; A553-Y557 PolarHBondContact O-N 3.45Å
554	L	90.7	Very high	89.5	Confident	22 Å²	22	42.9 Å²	42.9	12%	0.115	20%	0.204	C	C	.	.	H	α-helix	trans	-64.1	-48.3	173.9	-175.1	67.3	0	0	0	112.2	A8 A435 V491 A550 R551 S552 L556 Y557 E558	A8-L554 HydrophobicContact CB-CD2 3.33Å; A435-L554 HydrophobicContact CB-CB 4.06Å; A435-L554 HydrophobicContact CB-CD2 4.48Å; V491-L554 HydrophobicContact CB-CD1 4.43Å; V491-L554 HydrophobicContact CG1-CD1 4.42Å; V491-L554 HydrophobicContact CG2-CD1 4.31Å; A550-L554 PolarHBondContact O-N 2.89Å; A550-L554 VanDerWaalsContact O-N 3.12Å; R551-L554 PolarHBondContact O-N 3.03Å; S552-L554 VanDerWaalsContact C-N 3.3Å; S552-L554 PolarHBondContact O-N 2.94Å; L554-L556 PolarHBondContact O-N 3.03Å; L554-Y557 WeakPolarHBondContact O-CA 3.18Å; L554-Y557 WeakPolarHBondContact O-CB 3.34Å; L554-Y557 PolarHBondContact O-N 3.25Å; L554-E558 WeakPolarHBondContact O-CG 3.44Å; L554-E558 PolarHBondContact O-N 3.38Å
555	M	92.7	Very high	90.3	Very high	49 Å²	49	47.8 Å²	47.8	24%	0.241	23%	0.227	C	C	.	.	H	α-helix	trans	-59.7	-36.2	178.4	-169.7	-178	59.9	0	0	111.9	I531 F535 I537 R551 S552 K559	I531-M555 HydrophobicContact CD1-CE 3.59Å; I531-M555 HydrophobicContact CG2-CE 4.2Å; F535-M555 HydrophobicContact CB-CE 4.38Å; F535-M555 HydrophobicContact CD1-CE 4.03Å; F535-M555 HydrophobicContact CD1-CG 4.36Å; F535-M555 HydrophobicContact CD1-SD 3.98Å; F535-M555 HydrophobicContact CD2-CE 3.64Å; F535-M555 HydrophobicContact CE1-CE 4.16Å; F535-M555 HydrophobicContact CE1-CG 3.71Å; F535-M555 HydrophobicContact CE1-SD 3.95Å; F535-M555 HydrophobicContact CE2-CE 3.79Å; F535-M555 HydrophobicContact CE2-CG 4.34Å; F535-M555 HydrophobicContact CG-CE 3.76Å; F535-M555 HydrophobicContact CG-SD 4.31Å; F535-M555 HydrophobicContact CZ-CE 4.03Å; F535-M555 HydrophobicContact CZ-CG 3.68Å; F535-M555 WeakPolarHBondContact CZ-O 3.35Å; F535-M555 HydrophobicContact CZ-SD 4.25Å; I537-M555 HydrophobicContact CD1-CE 4.23Å; I537-M555 HydrophobicContact CD1-SD 4.5Å; R551-M555 PolarHBondContact O-N 3.5Å; S552-M555 PolarHBondContact O-N 2.74Å; M555-K559 WeakPolarHBondContact O-CB 3.45Å; M555-K559 PolarHBondContact O-N 3.45Å
556	L	95.3	Very high	90.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.4	-37.8	171.2	-100.7	161	0	0	0	113.5	T513 F517 L527 L530 I531 F534 F535 S552 A553 L554 Y560	T513-L556 HydrophobicContact CG2-CB 4.18Å; F517-L556 HydrophobicContact CD2-CD2 3.98Å; F517-L556 HydrophobicContact CE1-CD2 4.41Å; F517-L556 HydrophobicContact CE2-CB 4.41Å; F517-L556 HydrophobicContact CE2-CD2 3.49Å; F517-L556 VanDerWaalsContact CE2-CD2 3.49Å; F517-L556 HydrophobicContact CZ-CD2 3.73Å; L527-L556 HydrophobicContact CD1-CD1 3.56Å; L530-L556 HydrophobicContact CB-CD1 3.6Å; L530-L556 HydrophobicContact CB-CD2 3.95Å; L530-L556 HydrophobicContact CB-CG 4.38Å; L530-L556 HydrophobicContact CD1-CD1 4.03Å; L530-L556 HydrophobicContact CG-CD1 4.47Å; I531-L556 HydrophobicContact CD1-CD1 3.58Å; I531-L556 HydrophobicContact CD1-CG 3.8Å; I531-L556 HydrophobicContact CG1-CD1 3.84Å; F534-L556 HydrophobicContact CD2-CD2 3.93Å; F534-L556 HydrophobicContact CE2-CD2 4.44Å; F535-L556 HydrophobicContact CE2-CG 4.3Å; S552-L556 PolarHBondContact O-N 3.16Å; A553-L556 PolarHBondContact O-N 3.05Å; L554-L556 PolarHBondContact O-N 3.03Å; L556-Y560 WeakPolarHBondContact O-CB 3.2Å; L556-Y560 PolarHBondContact O-N 3.49Å
557	Y	95	Very high	91.1	Very high	45 Å²	45	52.7 Å²	52.7	18%	0.176	26%	0.263	C	S	.	.	H	α-helix	trans	-69.3	-43.5	175.6	176.6	-118.5	0	0	0	111.6	L433 V491 I511 L516 A553 L554 K559 Y560 T561	L433-Y557 HydrophobicContact CD1-CD1 4.29Å; L433-Y557 HydrophobicContact CD1-CE1 3.84Å; L433-Y557 HydrophobicContact CD2-CD1 4.47Å; L433-Y557 HydrophobicContact CD2-CE1 3.81Å; V491-Y557 HydrophobicContact CG1-CD1 4.35Å; V491-Y557 HydrophobicContact CG1-CG 4.13Å; V491-Y557 HydrophobicContact CG2-CD1 3.93Å; V491-Y557 HydrophobicContact CG2-CE1 4.4Å; V491-Y557 HydrophobicContact CG2-CG 4.41Å; I511-Y557 HydrophobicContact CD1-CE1 4.04Å; I511-Y557 HydrophobicContact CD1-CE2 4.21Å; I511-Y557 HydrophobicContact CG2-CD1 4.49Å; I511-Y557 HydrophobicContact CG2-CD2 3.44Å; I511-Y557 VanDerWaalsContact CG2-CD2 3.44Å; I511-Y557 HydrophobicContact CG2-CE2 3.57Å; I511-Y557 HydrophobicContact CG2-CG 3.94Å; L516-Y557 HydrophobicContact CD1-CD2 3.83Å; L516-Y557 HydrophobicContact CD1-CE2 4.38Å; A553-Y557 PolarHBondContact O-N 3.45Å; L554-Y557 WeakPolarHBondContact O-CA 3.18Å; L554-Y557 WeakPolarHBondContact O-CB 3.34Å; L554-Y557 PolarHBondContact O-N 3.25Å; Y557-K559 VanDerWaalsContact C-N 3.34Å; Y557-K559 PolarHBondContact O-N 2.95Å; Y557-Y560 HydrophobicContact CD2-CD1 4.22Å; Y557-Y560 HydrophobicContact CE2-CD1 4.18Å; Y557-Y560 WeakPolarHBondContact O-CA 3.28Å; Y557-Y560 WeakPolarHBondContact O-CB 3.43Å; Y557-Y560 PolarHBondContact O-N 2.71Å; Y557-Y560 VanDerWaalsContact O-N 3.09Å; Y557-T561 HydrophobicContact CE2-CG2 4.47Å; Y557-T561 PolarHBondContact O-N 3.35Å; Y557-T561 PolarHBondContact O-OG1 3.23Å
558	E	93.9	Very high	91.3	Very high	100 Å²	100	57.9 Å²	57.9	47%	0.467	29%	0.29	S	S	.	.	H	α-helix	trans	-54.7	-50.6	174.1	-70.7	172.8	162.8	0	0	110.5	L554 Y560 T561 D562	L554-E558 WeakPolarHBondContact O-CG 3.44Å; L554-E558 PolarHBondContact O-N 3.38Å; E558-Y560 VanDerWaalsContact C-N 3.32Å; E558-Y560 PolarHBondContact O-N 2.86Å; E558-T561 WeakPolarHBondContact CA-OG1 3Å; E558-T561 PolarHBondContact O-N 2.83Å; E558-T561 PolarHBondContact O-OG1 2.78Å; E558-D562 PolarHBondContact O-N 3.43Å
559	K	94.2	Very high	91.1	Very high	72 Å²	72	59.1 Å²	59.1	31%	0.313	30%	0.298	S	S	.	.	H	α-helix	trans	-60.2	-36.2	175.2	-177.1	62	172.4	-175.9	0	113.7	F535 M555 Y557 D562 I563	F535-K559 HydrophobicContact CE1-CB 4.27Å; F535-K559 HydrophobicContact CE1-CG 4.44Å; F535-K559 HydrophobicContact CZ-CB 3.63Å; F535-K559 HydrophobicContact CZ-CG 3.95Å; M555-K559 WeakPolarHBondContact O-CB 3.45Å; M555-K559 PolarHBondContact O-N 3.45Å; Y557-K559 VanDerWaalsContact C-N 3.34Å; Y557-K559 PolarHBondContact O-N 2.95Å; K559-D562 PolarHBondContact O-N 2.81Å; K559-I563 HydrophobicContact CD-CD1 4.42Å; K559-I563 HydrophobicContact CG-CD1 4.17Å; K559-I563 WeakPolarHBondContact O-CD1 3.38Å; K559-I563 VanDerWaalsContact O-CG1 3.27Å; K559-I563 WeakPolarHBondContact O-CG1 3.44Å; K559-I563 PolarHBondContact O-N 2.87Å; K559-I563 VanDerWaalsContact O-N 3.12Å
560	Y	94.8	Very high	91.1	Very high	49 Å²	49	64.9 Å²	64.9	19%	0.192	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-45.4	172.5	170.8	-93.9	0	0	0	111.2	L516 F517 L556 Y557 E558 I563 M564 F571	L516-Y560 HydrophobicContact CB-CD2 4.16Å; L516-Y560 HydrophobicContact CB-CE2 4.23Å; L516-Y560 HydrophobicContact CD1-CD1 3.89Å; L516-Y560 HydrophobicContact CD1-CD2 4.41Å; L516-Y560 HydrophobicContact CD1-CE1 4.2Å; L516-Y560 HydrophobicContact CD1-CG 4Å; L516-Y560 HydrophobicContact CD2-CE1 4.08Å; L516-Y560 HydrophobicContact CD2-CE2 4.33Å; F517-Y560 HydrophobicContact CZ-CD2 4.4Å; L556-Y560 WeakPolarHBondContact O-CB 3.2Å; L556-Y560 PolarHBondContact O-N 3.49Å; Y557-Y560 HydrophobicContact CD2-CD1 4.22Å; Y557-Y560 HydrophobicContact CE2-CD1 4.18Å; Y557-Y560 WeakPolarHBondContact O-CA 3.28Å; Y557-Y560 WeakPolarHBondContact O-CB 3.43Å; Y557-Y560 PolarHBondContact O-N 2.71Å; Y557-Y560 VanDerWaalsContact O-N 3.09Å; E558-Y560 VanDerWaalsContact C-N 3.32Å; E558-Y560 PolarHBondContact O-N 2.86Å; Y560-I563 PolarHBondContact O-N 2.9Å; Y560-M564 HydrophobicContact CD1-CG 4.08Å; Y560-M564 HydrophobicContact CD2-CG 4.38Å; Y560-M564 HydrophobicContact CE1-CG 3.65Å; Y560-M564 HydrophobicContact CE1-SD 4.31Å; Y560-M564 HydrophobicContact CE2-CE 4.32Å; Y560-M564 HydrophobicContact CE2-CG 3.96Å; Y560-M564 HydrophobicContact CE2-SD 4.09Å; Y560-M564 HydrophobicContact CG-CG 4.42Å; Y560-M564 WeakPolarHBondContact O-CB 3.1Å; Y560-M564 VanDerWaalsContact O-CG 3.23Å; Y560-M564 WeakPolarHBondContact O-CG 3.5Å; Y560-M564 PolarHBondContact O-N 3.08Å; Y560-M564 PolarHBondContact OH-SD 3.3Å; Y560-F571 HydrophobicContact CD2-CD2 4.31Å; Y560-F571 AromaticContact CD2-CE2 3.62Å; Y560-F571 HydrophobicContact CD2-CE2 3.62Å; Y560-F571 AromaticContact CD2-CZ 3.76Å; Y560-F571 HydrophobicContact CD2-CZ 3.76Å; Y560-F571 HydrophobicContact CE2-CD1 4.48Å; Y560-F571 HydrophobicContact CE2-CD2 4.35Å; Y560-F571 AromaticContact CE2-CE1 3.96Å; Y560-F571 HydrophobicContact CE2-CE1 3.96Å; Y560-F571 AromaticContact CE2-CE2 3.82Å; Y560-F571 HydrophobicContact CE2-CE2 3.82Å; Y560-F571 AromaticContact CE2-CZ 3.6Å; Y560-F571 HydrophobicContact CE2-CZ 3.6Å
561	T	93.7	Very high	91.3	Very high	35 Å²	35	66.4 Å²	66.4	22%	0.215	33%	0.332	C	S	.	.	H	α-helix	trans	-61.6	-41.2	174.7	20.2	0	0	0	0	112.9	Y557 E558 I563 M564 Q565	Y557-T561 HydrophobicContact CE2-CG2 4.47Å; Y557-T561 PolarHBondContact O-N 3.35Å; Y557-T561 PolarHBondContact O-OG1 3.23Å; E558-T561 WeakPolarHBondContact CA-OG1 3Å; E558-T561 PolarHBondContact O-N 2.83Å; E558-T561 PolarHBondContact O-OG1 2.78Å; T561-I563 VanDerWaalsContact C-N 3.33Å; T561-I563 PolarHBondContact O-N 2.63Å; T561-M564 PolarHBondContact O-N 2.82Å; T561-Q565 WeakPolarHBondContact O-CB 3.21Å; T561-Q565 VanDerWaalsContact O-CG 3.3Å; T561-Q565 WeakPolarHBondContact O-CG 3.35Å; T561-Q565 PolarHBondContact O-N 3.32Å
562	D	93.5	Very high	91.3	Very high	89 Å²	89	63.4 Å²	63.4	48%	0.476	33%	0.329	S	S	.	.	H	α-helix	trans	-59.7	-44.5	176.9	-65.1	-19.8	0	0	0	111.5	E558 K559 Q565 S566	E558-D562 PolarHBondContact O-N 3.43Å; K559-D562 PolarHBondContact O-N 2.81Å; D562-Q565 PolarHBondContact O-N 2.73Å; D562-S566 WeakPolarHBondContact O-CB 3.5Å; D562-S566 PolarHBondContact O-N 3.24Å; D562-S566 VanDerWaalsContact O-N 3.09Å; D562-S566 PolarHBondContact O-OG 3.26Å
563	I	92.9	Very high	91.3	Very high	5 Å²	5	68.7 Å²	68.7	3%	0.026	35%	0.353	C	S	.	.	H	α-helix	trans	-65	-42.2	176.5	-65	162	0	0	0	110.7	K559 Y560 T561 Q565 S566 L569 F571 I574	K559-I563 HydrophobicContact CD-CD1 4.42Å; K559-I563 HydrophobicContact CG-CD1 4.17Å; K559-I563 WeakPolarHBondContact O-CD1 3.38Å; K559-I563 VanDerWaalsContact O-CG1 3.27Å; K559-I563 WeakPolarHBondContact O-CG1 3.44Å; K559-I563 PolarHBondContact O-N 2.87Å; K559-I563 VanDerWaalsContact O-N 3.12Å; Y560-I563 PolarHBondContact O-N 2.9Å; T561-I563 VanDerWaalsContact C-N 3.33Å; T561-I563 PolarHBondContact O-N 2.63Å; I563-Q565 VanDerWaalsContact C-N 3.3Å; I563-Q565 PolarHBondContact O-N 3.22Å; I563-S566 PolarHBondContact O-N 2.9Å; I563-L569 HydrophobicContact CG1-CD1 4.37Å; I563-L569 HydrophobicContact CG2-CB 4.21Å; I563-F571 HydrophobicContact CG2-CB 4.03Å; I563-F571 HydrophobicContact CG2-CD2 3.87Å; I563-F571 HydrophobicContact CG2-CG 4.45Å; I563-I574 HydrophobicContact CD1-CD1 4.27Å; I563-I574 HydrophobicContact CD1-CG2 4.44Å; I563-I574 HydrophobicContact CG1-CD1 4.23Å; I563-I574 HydrophobicContact CG2-CD1 3.58Å
564	M	91.8	Very high	91.3	Very high	89 Å²	89	69.9 Å²	69.9	44%	0.438	36%	0.358	S	S	.	.	H	α-helix	trans	-65.8	-27.6	178.1	-71	-77	95.4	0	0	114.1	Y560 T561 F571	Y560-M564 HydrophobicContact CD1-CG 4.08Å; Y560-M564 HydrophobicContact CD2-CG 4.38Å; Y560-M564 HydrophobicContact CE1-CG 3.65Å; Y560-M564 HydrophobicContact CE1-SD 4.31Å; Y560-M564 HydrophobicContact CE2-CE 4.32Å; Y560-M564 HydrophobicContact CE2-CG 3.96Å; Y560-M564 HydrophobicContact CE2-SD 4.09Å; Y560-M564 HydrophobicContact CG-CG 4.42Å; Y560-M564 WeakPolarHBondContact O-CB 3.1Å; Y560-M564 VanDerWaalsContact O-CG 3.23Å; Y560-M564 WeakPolarHBondContact O-CG 3.5Å; Y560-M564 PolarHBondContact O-N 3.08Å; Y560-M564 PolarHBondContact OH-SD 3.3Å; T561-M564 PolarHBondContact O-N 2.82Å; M564-F571 HydrophobicContact CE-CB 3.19Å; M564-F571 HydrophobicContact CE-CD1 3.86Å; M564-F571 HydrophobicContact CE-CD2 4.02Å; M564-F571 HydrophobicContact CE-CG 3.42Å; M564-F571 VanDerWaalsContact CE-CG 3.42Å
565	Q	91.5	Very high	91.4	Very high	151 Å²	151	69.4 Å²	69.4	71%	0.706	36%	0.356	S	S	*	.	H	α-helix	trans	-90.7	-18.3	179.9	-68.8	174.5	28.7	0	0	113.1	T561 D562 I563	T561-Q565 WeakPolarHBondContact O-CB 3.21Å; T561-Q565 VanDerWaalsContact O-CG 3.3Å; T561-Q565 WeakPolarHBondContact O-CG 3.35Å; T561-Q565 PolarHBondContact O-N 3.32Å; D562-Q565 PolarHBondContact O-N 2.73Å; I563-Q565 VanDerWaalsContact C-N 3.3Å; I563-Q565 PolarHBondContact O-N 3.22Å
566	S	92.2	Very high	91.4	Very high	44 Å²	44	70.3 Å²	70.3	31%	0.308	36%	0.362	S	S	.	.			trans	-77.2	117.9	-179.4	-64.6	0	0	0	0	111	D562 I563 D568 L569	D562-S566 WeakPolarHBondContact O-CB 3.5Å; D562-S566 PolarHBondContact O-N 3.24Å; D562-S566 VanDerWaalsContact O-N 3.09Å; D562-S566 PolarHBondContact O-OG 3.26Å; I563-S566 PolarHBondContact O-N 2.9Å; S566-D568 PolarHBondContact O-N 3.4Å; S566-L569 PolarHBondContact O-N 2.94Å
567	P	85.3	Confident	91.4	Very high	123 Å²	123	75.5 Å²	75.5	80%	0.799	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-26.5	-176.8	27.4	-34.9	0	0	0	113.2
568	D	85.2	Confident	91.4	Very high	148 Å²	148	73.3 Å²	73.3	79%	0.791	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-12.8	-176.1	-50.3	-53.6	0	0	0	113.3	S566	S566-D568 PolarHBondContact O-N 3.4Å
569	L	82.5	Confident	91.5	Very high	83 Å²	83	69 Å²	69	44%	0.435	36%	0.357	S	S	.	.			trans	-104.5	104.5	-171.8	-64	-178.4	0	0	0	112.7	I563 S566 F571 I574	I563-L569 HydrophobicContact CG1-CD1 4.37Å; I563-L569 HydrophobicContact CG2-CB 4.21Å; S566-L569 PolarHBondContact O-N 2.94Å; L569-F571 PolarHBondContact O-N 3.4Å; L569-F571 VanDerWaalsContact O-N 3.16Å; L569-I574 HydrophobicContact CB-CD1 4.1Å; L569-I574 HydrophobicContact CD1-CD1 4.44Å; L569-I574 HydrophobicContact CD2-CD1 4.38Å
570	Q	87.4	Confident	91.5	Very high	130 Å²	130	71.1 Å²	71.1	61%	0.607	37%	0.368	S	S	*	.			trans	-73.6	101	168.4	-72.3	-83.5	-26.8	0	0	110.2	S572 H573 I574	Q570-S572 PolarHBondContact O-N 2.78Å; Q570-S572 VanDerWaalsContact O-N 3.11Å; Q570-S572 PolarHBondContact OE1-OG 3.11Å; Q570-H573 HydrophobicContact CB-CB 4.35Å; Q570-H573 PolarHBondContact O-N 2.63Å; Q570-I574 PolarHBondContact O-N 3.03Å
571	F	89.6	Confident	91.5	Very high	31 Å²	31	73.2 Å²	73.2	14%	0.136	38%	0.379	C	S	.	.	H	α-helix	trans	-54.7	-30.2	176.5	179.4	-107.3	0	0	0	113.6	L516 F517 Y560 I563 M564 L569 H573 I574 L575	L516-F571 WeakPolarHBondContact O-CZ 3.08Å; F517-F571 HydrophobicContact CD1-CE2 4.2Å; F517-F571 HydrophobicContact CD1-CZ 4.38Å; F517-F571 AromaticContact CE1-CE2 3.97Å; F517-F571 HydrophobicContact CE1-CE2 3.97Å; Y560-F571 HydrophobicContact CD2-CD2 4.31Å; Y560-F571 AromaticContact CD2-CE2 3.62Å; Y560-F571 HydrophobicContact CD2-CE2 3.62Å; Y560-F571 AromaticContact CD2-CZ 3.76Å; Y560-F571 HydrophobicContact CD2-CZ 3.76Å; Y560-F571 HydrophobicContact CE2-CD1 4.48Å; Y560-F571 HydrophobicContact CE2-CD2 4.35Å; Y560-F571 AromaticContact CE2-CE1 3.96Å; Y560-F571 HydrophobicContact CE2-CE1 3.96Å; Y560-F571 AromaticContact CE2-CE2 3.82Å; Y560-F571 HydrophobicContact CE2-CE2 3.82Å; Y560-F571 AromaticContact CE2-CZ 3.6Å; Y560-F571 HydrophobicContact CE2-CZ 3.6Å; I563-F571 HydrophobicContact CG2-CB 4.03Å; I563-F571 HydrophobicContact CG2-CD2 3.87Å; I563-F571 HydrophobicContact CG2-CG 4.45Å; M564-F571 HydrophobicContact CE-CB 3.19Å; M564-F571 HydrophobicContact CE-CD1 3.86Å; M564-F571 HydrophobicContact CE-CD2 4.02Å; M564-F571 HydrophobicContact CE-CG 3.42Å; M564-F571 VanDerWaalsContact CE-CG 3.42Å; L569-F571 PolarHBondContact O-N 3.4Å; L569-F571 VanDerWaalsContact O-N 3.16Å; F571-H573 VanDerWaalsContact C-N 3.35Å; F571-H573 PolarHBondContact O-N 3.35Å; F571-I574 PolarHBondContact O-N 3.41Å; F571-L575 HydrophobicContact CE1-CD2 4.03Å; F571-L575 HydrophobicContact CZ-CD1 4.32Å; F571-L575 HydrophobicContact CZ-CD2 4.46Å; F571-L575 WeakPolarHBondContact O-CB 3.44Å; F571-L575 PolarHBondContact O-N 2.74Å
572	S	89.6	Confident	91.5	Very high	57 Å²	57	71.6 Å²	71.6	40%	0.399	37%	0.369	S	S	.	.	H	α-helix	trans	-59.3	-40	172.7	49.4	0	0	0	0	113.1	Q570 N576	Q570-S572 PolarHBondContact O-N 2.78Å; Q570-S572 VanDerWaalsContact O-N 3.11Å; Q570-S572 PolarHBondContact OE1-OG 3.11Å; S572-N576 VanDerWaalsContact O-CG 3.28Å; S572-N576 PolarHBondContact O-N 3.17Å; S572-N576 VanDerWaalsContact O-N 3.09Å; S572-N576 PolarHBondContact O-ND2 3.18Å; S572-N576 VanDerWaalsContact O-ND2 3.17Å
573	H	92.1	Very high	91.6	Very high	120 Å²	120	72.1 Å²	72.1	56%	0.556	37%	0.369	S	S	*	.	H	α-helix	trans	-69.1	-52	174	-84	156.9	0	0	0	111.3	Q570 F571 L575 N576 E577	Q570-H573 HydrophobicContact CB-CB 4.35Å; Q570-H573 PolarHBondContact O-N 2.63Å; F571-H573 VanDerWaalsContact C-N 3.35Å; F571-H573 PolarHBondContact O-N 3.35Å; H573-L575 PolarHBondContact O-N 2.9Å; H573-L575 VanDerWaalsContact O-N 3.17Å; H573-N576 WeakPolarHBondContact O-CA 3.32Å; H573-N576 PolarHBondContact O-N 2.97Å; H573-E577 WeakPolarHBondContact O-CG 3.47Å; H573-E577 PolarHBondContact O-N 3.04Å
574	I	93.1	Very high	91.6	Very high	25 Å²	25	78.1 Å²	78.1	13%	0.128	40%	0.397	C	S	.	.	H	α-helix	trans	-55	-39.3	179.1	-65.1	164.9	0	0	0	111	F534 I563 L569 Q570 F571 L578	F534-I574 HydrophobicContact CE1-CG2 3.69Å; F534-I574 HydrophobicContact CZ-CG2 4.01Å; I563-I574 HydrophobicContact CD1-CD1 4.27Å; I563-I574 HydrophobicContact CD1-CG2 4.44Å; I563-I574 HydrophobicContact CG1-CD1 4.23Å; I563-I574 HydrophobicContact CG2-CD1 3.58Å; L569-I574 HydrophobicContact CB-CD1 4.1Å; L569-I574 HydrophobicContact CD1-CD1 4.44Å; L569-I574 HydrophobicContact CD2-CD1 4.38Å; Q570-I574 PolarHBondContact O-N 3.03Å; F571-I574 PolarHBondContact O-N 3.41Å; I574-L578 WeakPolarHBondContact O-CB 3.43Å; I574-L578 PolarHBondContact O-N 2.81Å
575	L	93.2	Very high	91.8	Very high	12 Å²	12	76.3 Å²	76.3	6%	0.063	39%	0.389	C	S	.	.	H	α-helix	trans	-71.6	-34.9	177.5	-170	68.1	0	0	0	112.6	F517 L519 F571 H573 L578 Y579	F517-L575 HydrophobicContact CB-CD1 4.42Å; L519-L575 HydrophobicContact CD2-CD2 3.74Å; L519-L575 HydrophobicContact CD2-CG 4.09Å; L519-L575 HydrophobicContact CG-CD2 3.99Å; L519-L575 HydrophobicContact CG-CG 3.99Å; F571-L575 HydrophobicContact CE1-CD2 4.03Å; F571-L575 HydrophobicContact CZ-CD1 4.32Å; F571-L575 HydrophobicContact CZ-CD2 4.46Å; F571-L575 WeakPolarHBondContact O-CB 3.44Å; F571-L575 PolarHBondContact O-N 2.74Å; H573-L575 PolarHBondContact O-N 2.9Å; H573-L575 VanDerWaalsContact O-N 3.17Å; L575-L578 HydrophobicContact CD1-CD2 4.16Å; L575-Y579 HydrophobicContact CD1-CD2 4.46Å; L575-Y579 HydrophobicContact CD1-CE2 4.18Å; L575-Y579 VanDerWaalsContact O-CD2 3.29Å; L575-Y579 WeakPolarHBondContact O-CD2 3.44Å; L575-Y579 PolarHBondContact O-N 3.06Å
576	N	93.7	Very high	91.8	Very high	68 Å²	68	76.2 Å²	76.2	36%	0.364	39%	0.388	S	S	.	.	H	α-helix	trans	-68	-47.4	172.6	-74.9	-30.5	0	0	0	111.3	S572 H573 L578 Y579 E580	S572-N576 VanDerWaalsContact O-CG 3.28Å; S572-N576 PolarHBondContact O-N 3.17Å; S572-N576 VanDerWaalsContact O-N 3.09Å; S572-N576 PolarHBondContact O-ND2 3.18Å; S572-N576 VanDerWaalsContact O-ND2 3.17Å; H573-N576 WeakPolarHBondContact O-CA 3.32Å; H573-N576 PolarHBondContact O-N 2.97Å; N576-L578 VanDerWaalsContact C-N 3.32Å; N576-L578 PolarHBondContact O-N 3.31Å; N576-Y579 CarbonylContact O-C 3.53Å; N576-Y579 WeakPolarHBondContact O-CA 3.49Å; N576-Y579 PolarHBondContact O-N 2.96Å; N576-E580 PolarHBondContact O-N 2.7Å
577	E	94.3	Very high	91.8	Very high	109 Å²	109	75.7 Å²	75.7	51%	0.509	38%	0.379	S	S	.	.	H	α-helix	trans	-55.8	-44.3	176.2	-71.3	174.3	174.7	0	0	111.8	H573 Y579 E580 H581	H573-E577 WeakPolarHBondContact O-CG 3.47Å; H573-E577 PolarHBondContact O-N 3.04Å; E577-Y579 VanDerWaalsContact C-N 3.28Å; E577-Y579 PolarHBondContact O-N 3.32Å; E577-E580 PolarHBondContact O-N 3.39Å; E577-E580 VanDerWaalsContact O-N 3.16Å; E577-H581 PolarHBondContact O-N 3.13Å
578	L	95.2	Very high	92.1	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-55	-42.2	172.9	174.3	69.6	0	0	0	112.2	F517 F529 L530 H533 F534 I574 L575 N576 G582	F517-L578 HydrophobicContact CB-CD2 4.37Å; F517-L578 HydrophobicContact CD1-CD2 4.37Å; F529-L578 HydrophobicContact CD1-CD1 4.31Å; F529-L578 HydrophobicContact CE1-CD1 3.97Å; L530-L578 HydrophobicContact CD2-CD1 4.12Å; L530-L578 HydrophobicContact CD2-CD2 3.61Å; L530-L578 HydrophobicContact CD2-CG 4.48Å; H533-L578 HydrophobicContact CB-CD1 4.08Å; H533-L578 WeakPolarHBondContact NE2-CA 3.43Å; F534-L578 HydrophobicContact CE2-CD1 4.28Å; F534-L578 HydrophobicContact CE2-CD2 4.22Å; F534-L578 HydrophobicContact CZ-CD1 4.49Å; F534-L578 HydrophobicContact CZ-CD2 4.34Å; I574-L578 WeakPolarHBondContact O-CB 3.43Å; I574-L578 PolarHBondContact O-N 2.81Å; L575-L578 HydrophobicContact CD1-CD2 4.16Å; N576-L578 VanDerWaalsContact C-N 3.32Å; N576-L578 PolarHBondContact O-N 3.31Å; L578-G582 PolarHBondContact O-N 3.33Å
579	Y	95.7	Very high	92.4	Very high	9 Å²	9	68.3 Å²	68.3	4%	0.035	33%	0.334	C	S	.	.	H	α-helix	trans	-77	-24.7	179.1	-88.2	-99.2	0	0	0	113.6	R518 L519 R522 R523 V525 L575 N576 E577 Q583 W587	R518-Y579 WeakPolarHBondContact CA-OH 3.49Å; L519-Y579 HydrophobicContact CB-CD2 4.31Å; L519-Y579 HydrophobicContact CB-CE1 4.41Å; L519-Y579 HydrophobicContact CB-CE2 3.92Å; L519-Y579 HydrophobicContact CD1-CD1 4.18Å; L519-Y579 HydrophobicContact CD1-CD2 3.65Å; L519-Y579 HydrophobicContact CD1-CE2 4.13Å; L519-Y579 HydrophobicContact CD1-CG 3.65Å; L519-Y579 HydrophobicContact CG-CD2 3.84Å; L519-Y579 HydrophobicContact CG-CE2 3.86Å; L519-Y579 HydrophobicContact CG-CG 4.3Å; L519-Y579 PolarHBondContact N-OH 3.37Å; L519-Y579 VanDerWaalsContact N-OH 3.15Å; R522-Y579 HydrophobicContact CB-CD1 4.23Å; R522-Y579 HydrophobicContact CB-CE1 3.51Å; R522-Y579 HydrophobicContact CG-CE1 4.22Å; R523-Y579 HydrophobicContact CG-CE1 4.04Å; R523-Y579 PolarHBondContact O-OH 2.92Å; V525-Y579 HydrophobicContact CG2-CE1 4.36Å; V525-Y579 HydrophobicContact CG2-CE2 4.08Å; L575-Y579 HydrophobicContact CD1-CD2 4.46Å; L575-Y579 HydrophobicContact CD1-CE2 4.18Å; L575-Y579 VanDerWaalsContact O-CD2 3.29Å; L575-Y579 WeakPolarHBondContact O-CD2 3.44Å; L575-Y579 PolarHBondContact O-N 3.06Å; N576-Y579 CarbonylContact O-C 3.53Å; N576-Y579 WeakPolarHBondContact O-CA 3.49Å; N576-Y579 PolarHBondContact O-N 2.96Å; E577-Y579 VanDerWaalsContact C-N 3.28Å; E577-Y579 PolarHBondContact O-N 3.32Å; Y579-Q583 VanDerWaalsContact O-CG 3.28Å; Y579-Q583 WeakPolarHBondContact O-CG 3.37Å; Y579-Q583 PolarHBondContact O-N 3.31Å; Y579-Q583 VanDerWaalsContact O-N 3.12Å; Y579-Q583 PolarHBondContact O-NE2 3.07Å; Y579-W587 AromaticContact CD1-CH2 3.42Å; Y579-W587 HydrophobicContact CD1-CH2 3.42Å; Y579-W587 VanDerWaalsContact CD1-CH2 3.42Å; Y579-W587 AromaticContact CD1-CZ2 3.69Å; Y579-W587 HydrophobicContact CD1-CZ2 3.69Å; Y579-W587 HydrophobicContact CD2-CH2 4.34Å; Y579-W587 AromaticContact CE1-CH2 3.81Å; Y579-W587 HydrophobicContact CE1-CH2 3.81Å; Y579-W587 HydrophobicContact CE1-CZ2 4.21Å; Y579-W587 AromaticContact CG-CH2 3.73Å; Y579-W587 HydrophobicContact CG-CH2 3.73Å; Y579-W587 HydrophobicContact CG-CZ2 4.29Å
580	E	95.1	Very high	92.6	Very high	117 Å²	117	66 Å²	66	55%	0.547	32%	0.324	S	S	.	.	H	α-helix	trans	-74.9	-52.6	172.4	-71	-178.8	179.6	0	0	111.2	N576 E577 G582 Q583 Q584	N576-E580 PolarHBondContact O-N 2.7Å; E577-E580 PolarHBondContact O-N 3.39Å; E577-E580 VanDerWaalsContact O-N 3.16Å; E580-G582 VanDerWaalsContact C-N 3.26Å; E580-G582 PolarHBondContact O-N 3.3Å; E580-Q583 PolarHBondContact O-N 3.2Å; E580-Q584 WeakPolarHBondContact O-CG 3.3Å; E580-Q584 PolarHBondContact O-N 2.82Å
581	H	94.2	Very high	92.1	Very high	93 Å²	93	66.2 Å²	66.2	43%	0.431	33%	0.334	S	S	.	.	H	α-helix	trans	-55.3	-42.8	171	-101.8	169.6	0	0	0	111.5	H533 E577 Q583 Q584 L585	H533-H581 AromaticContact CD2-ND1 3.9Å; H533-H581 WeakPolarHBondContact NE2-CB 3.48Å; H533-H581 AromaticContact NE2-CG 3.36Å; H533-H581 AromaticContact NE2-ND1 2.85Å; H533-H581 PolarHBondContact NE2-ND1 3.26Å; E577-H581 PolarHBondContact O-N 3.13Å; H581-Q583 VanDerWaalsContact C-N 3.32Å; H581-Q583 PolarHBondContact O-N 3.44Å; H581-Q584 PolarHBondContact O-N 3.21Å; H581-L585 WeakPolarHBondContact O-CB 3.37Å; H581-L585 WeakPolarHBondContact O-CG 3.3Å; H581-L585 PolarHBondContact O-N 3.21Å
582	G	94	Very high	91	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-58.4	-40.6	175	0	0	0	0	0	113.2	L578 E580 H586 W587	L578-G582 PolarHBondContact O-N 3.33Å; E580-G582 VanDerWaalsContact C-N 3.26Å; E580-G582 PolarHBondContact O-N 3.3Å; G582-H586 CarbonylContact O-C 3.59Å; G582-H586 PolarHBondContact O-N 2.99Å; G582-W587 VanDerWaalsContact O-CG 3.3Å; G582-W587 PolarHBondContact O-N 2.96Å; G582-W587 PolarHBondContact O-NE1 3.11Å
583	Q	94.1	Very high	89.3	Confident	100 Å²	100	75.4 Å²	75.4	47%	0.467	38%	0.375	S	S	.	.	H	α-helix	trans	-69.6	-44.6	175.9	-78.6	168.6	92.6	0	0	112.5	Y579 E580 H581 L585 H586 W587	Y579-Q583 VanDerWaalsContact O-CG 3.28Å; Y579-Q583 WeakPolarHBondContact O-CG 3.37Å; Y579-Q583 PolarHBondContact O-N 3.31Å; Y579-Q583 VanDerWaalsContact O-N 3.12Å; Y579-Q583 PolarHBondContact O-NE2 3.07Å; E580-Q583 PolarHBondContact O-N 3.2Å; H581-Q583 VanDerWaalsContact C-N 3.32Å; H581-Q583 PolarHBondContact O-N 3.44Å; Q583-L585 PolarHBondContact O-N 2.79Å; Q583-H586 PolarHBondContact O-N 3.25Å; Q583-H586 VanDerWaalsContact O-N 3.15Å; Q583-H586 PolarHBondContact O-ND1 3.08Å; Q583-H586 VanDerWaalsContact O-ND1 3.13Å; Q583-W587 HydrophobicContact CG-CZ2 4.33Å
584	Q	94.7	Very high	87.2	Confident	131 Å²	131	76.3 Å²	76.3	61%	0.612	38%	0.383	S	S	*	.	H	α-helix	trans	-60.2	-43.7	178.7	-68.7	170.6	6.7	0	0	112.2	E580 H581 H586	E580-Q584 WeakPolarHBondContact O-CG 3.3Å; E580-Q584 PolarHBondContact O-N 2.82Å; H581-Q584 PolarHBondContact O-N 3.21Å; Q584-H586 PolarHBondContact O-N 3.03Å
585	L	94.2	Very high	84.5	Confident	51 Å²	51	84.8 Å²	84.8	27%	0.267	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	7.1	178.8	-60.5	175.3	0	0	0	113.5	F529 W532 H581 Q583 W587 N588 P590	F529-L585 HydrophobicContact CE2-CB 4.44Å; F529-L585 HydrophobicContact CE2-CD1 4.34Å; F529-L585 HydrophobicContact CZ-CD1 4.41Å; W532-L585 HydrophobicContact CH2-CD1 3.46Å; W532-L585 VanDerWaalsContact CH2-CD1 3.46Å; W532-L585 HydrophobicContact CZ3-CD1 3.53Å; H581-L585 WeakPolarHBondContact O-CB 3.37Å; H581-L585 WeakPolarHBondContact O-CG 3.3Å; H581-L585 PolarHBondContact O-N 3.21Å; Q583-L585 PolarHBondContact O-N 2.79Å; L585-W587 PolarHBondContact O-N 3.37Å; L585-N588 PolarHBondContact O-N 3.47Å; L585-P590 HydrophobicContact CD1-CG 4.28Å; L585-P590 HydrophobicContact CD2-CG 4.13Å
586	H	93.1	Very high	81.7	Confident	149 Å²	149	93.2 Å²	93.2	69%	0.69	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	30.5	-172.8	-56.3	-36.8	0	0	0	113.8	G582 Q583 Q584 N588	G582-H586 CarbonylContact O-C 3.59Å; G582-H586 PolarHBondContact O-N 2.99Å; Q583-H586 PolarHBondContact O-N 3.25Å; Q583-H586 VanDerWaalsContact O-N 3.15Å; Q583-H586 PolarHBondContact O-ND1 3.08Å; Q583-H586 VanDerWaalsContact O-ND1 3.13Å; Q584-H586 PolarHBondContact O-N 3.03Å; H586-N588 PolarHBondContact O-N 3.34Å; H586-N588 PolarHBondContact O-ND2 2.95Å
587	W	92.5	Very high	81.1	Confident	33 Å²	33	94.5 Å²	94.5	13%	0.125	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	21.9	-178.6	-52.7	87.3	0	0	0	114.9	R523 V525 F529 Y579 G582 Q583 L585	R523-W587 HydrophobicContact CG-CZ2 4.3Å; R523-W587 VanDerWaalsContact NH1-CB 3.32Å; V525-W587 HydrophobicContact CB-CZ3 4.24Å; V525-W587 HydrophobicContact CG1-CE3 3.99Å; V525-W587 HydrophobicContact CG1-CZ3 3.69Å; V525-W587 HydrophobicContact CG2-CE3 4.42Å; V525-W587 HydrophobicContact CG2-CH2 4.02Å; V525-W587 HydrophobicContact CG2-CZ3 3.57Å; F529-W587 HydrophobicContact CD1-CE3 4.1Å; F529-W587 HydrophobicContact CD1-CZ3 4.35Å; F529-W587 HydrophobicContact CE1-CE3 4.05Å; F529-W587 HydrophobicContact CE1-CZ3 4.18Å; F529-W587 HydrophobicContact CZ-CE3 4.47Å; Y579-W587 AromaticContact CD1-CH2 3.42Å; Y579-W587 HydrophobicContact CD1-CH2 3.42Å; Y579-W587 VanDerWaalsContact CD1-CH2 3.42Å; Y579-W587 AromaticContact CD1-CZ2 3.69Å; Y579-W587 HydrophobicContact CD1-CZ2 3.69Å; Y579-W587 HydrophobicContact CD2-CH2 4.34Å; Y579-W587 AromaticContact CE1-CH2 3.81Å; Y579-W587 HydrophobicContact CE1-CH2 3.81Å; Y579-W587 HydrophobicContact CE1-CZ2 4.21Å; Y579-W587 AromaticContact CG-CH2 3.73Å; Y579-W587 HydrophobicContact CG-CH2 3.73Å; Y579-W587 HydrophobicContact CG-CZ2 4.29Å; G582-W587 VanDerWaalsContact O-CG 3.3Å; G582-W587 PolarHBondContact O-N 2.96Å; G582-W587 PolarHBondContact O-NE1 3.11Å; Q583-W587 HydrophobicContact CG-CZ2 4.33Å; L585-W587 PolarHBondContact O-N 3.37Å
588	N	91.4	Very high	80.4	Confident	97 Å²	97	93.7 Å²	93.7	52%	0.519	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-96.1	147.2	171	-66.5	-60.1	0	0	0	110.4	L585 H586 P590	L585-N588 PolarHBondContact O-N 3.47Å; H586-N588 PolarHBondContact O-N 3.34Å; H586-N588 PolarHBondContact O-ND2 2.95Å; N588-P590 WeakPolarHBondContact O-CD 3.34Å
589	V	90.1	Very high	79.6	Confident	20 Å²	20	98.9 Å²	98.9	12%	0.121	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-82.1	119.4	168.8	173.6	0	0	0	0	107.1	R528 F529 W532	R528-V589 HydrophobicContact CG-CG2 4.39Å; F529-V589 HydrophobicContact CD2-CG2 4.27Å; W532-V589 HydrophobicContact CB-CG1 4.04Å; W532-V589 HydrophobicContact CB-CG2 3.87Å; W532-V589 HydrophobicContact CD2-CB 4.48Å; W532-V589 HydrophobicContact CD2-CG1 3.89Å; W532-V589 HydrophobicContact CD2-CG2 4.27Å; W532-V589 HydrophobicContact CE3-CG2 4.37Å; W532-V589 HydrophobicContact CG-CB 4.36Å; W532-V589 HydrophobicContact CG-CG1 3.52Å; W532-V589 HydrophobicContact CG-CG2 4.04Å
590	P	87.1	Confident	78.6	Confident	34 Å²	34	104.2 Å²	104.2	22%	0.221	54%	0.539	C	S	.	.	P	Polyproline II helix	trans	-56.1	144.8	179	-24	33.9	0	0	0	111.4	W532 R538 L585 N588	W532-P590 HydrophobicContact CH2-CG 3.92Å; W532-P590 VanDerWaalsContact CZ2-CD 3.47Å; W532-P590 HydrophobicContact CZ2-CG 3.81Å; R538-P590 PolarHBondContact NH1-O 3.46Å; R538-P590 PolarHBondContact NH2-O 2.87Å; L585-P590 HydrophobicContact CD1-CG 4.28Å; L585-P590 HydrophobicContact CD2-CG 4.13Å; N588-P590 WeakPolarHBondContact O-CD 3.34Å
591	T	78	Confident	77.6	Confident	134 Å²	134	103.4 Å²	103.4	82%	0.822	54%	0.538	S	S	*	.	S	Bend	trans	-74.9	-30.8	-177.7	37.2	0	0	0	0	114	R538	R538-T591 PolarHBondContact NH2-O 3.22Å
592	E	65.5	Low	76.5	Confident	160 Å²	160	104.1 Å²	104.1	75%	0.748	55%	0.545	S	S	*	.	S	Bend	trans	-95.4	152	177.3	-63.1	-176.6	172.4	0	0	110.6	R538 L594	R538-E592 PolarHBondContact NH2-O 2.92Å; R538-E592 VanDerWaalsContact NH2-O 3.15Å; E592-L594 PolarHBondContact O-N 3.09Å
593	N	55.1	Low	75.2	Confident	121 Å²	121	111.6 Å²	111.6	65%	0.647	58%	0.584	S	S	*	*			trans	-73.6	116.6	168.5	-70.9	-7.4	0	0	0	107.5	R538 K595	R538-N593 PolarHBondContact NE-OD1 3.08Å; R538-N593 PolarHBondContact NH2-OD1 3.43Å; N593-K595 PolarHBondContact O-N 3.21Å
594	L	46.8	Very low	73.8	Confident	139 Å²	139	112.5 Å²	112.5	73%	0.728	59%	0.593	S	S	*	*			trans	-52.6	109.6	162.4	-77.3	159.3	0	0	0	106.8	W532 E592 S596	W532-L594 HydrophobicContact CZ2-CD1 4.47Å; E592-L594 PolarHBondContact O-N 3.09Å; L594-S596 PolarHBondContact O-N 3.4Å
595	K	35.6	Very low	72	Confident	203 Å²	203	110.9 Å²	110.9	88%	0.883	59%	0.592	S	S	*	*			trans	-64.6	130.5	173.6	-73.7	-179.3	177.2	176.4	0	107.2	N593	N593-K595 PolarHBondContact O-N 3.21Å
596	S	35.1	Very low	70	Confident	190 Å²	190	116.4 Å²	116.4	100%	1.329	62%	0.621	S	S	*	*			trans	-45.2	0	176.8	55.9	0	0	0	0	113.3	L594	L594-S596 PolarHBondContact O-N 3.4Å

Retrieved 596 of 596 residues in 159.6 ms (Link to these results)

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