A0A3Q0KKT2_SCHMA Loading...

Ras-associating domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KKT2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 398 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	25.1	Very low	251 Å²	251	186.5 Å²	186.5	100%	1.236	86%	0.857	S	S	*	*				0	98.2	0	-152.7	-179.3	-170.3	0	0	105.8
2	R	25.1	Very low	25.1	Very low	246 Å²	246	187.7 Å²	187.7	93%	0.928	86%	0.859	S	S	*	*			cis	-130	149.4	47.4	-70.3	172.6	-175	151.6	3.4	113.2
3	V	20.7	Very low	25.1	Very low	127 Å²	127	188.2 Å²	188.2	77%	0.77	86%	0.858	S	S	*	*			trans	-100.6	144.6	168.3	170.5	0	0	0	0	107.9
4	R	25.1	Very low	25.2	Very low	226 Å²	226	182.1 Å²	182.1	85%	0.853	84%	0.844	S	S	*	*			trans	-171.7	94.7	145.9	-105.9	175.8	-174.1	174.6	3.6	107.8
5	E	26.9	Very low	25.1	Very low	153 Å²	153	179.6 Å²	179.6	72%	0.715	84%	0.839	S	S	*	*				73.9	91.6	99.5	-75.5	174.6	168.9	0	0	111.6
6	R	23.1	Very low	25.1	Very low	239 Å²	239	179.1 Å²	179.1	90%	0.902	83%	0.829	S	S	*	*				49.6	89.3	95.1	-70.3	-165.9	-170	-171.4	4.6	113.5
7	F	24.4	Very low	25	Very low	206 Å²	206	175.4 Å²	175.4	90%	0.904	82%	0.817	S	S	*	*			trans	-144.1	135.7	138	-89.2	-77.2	0	0	0	108.5	Q9	F7-Q9 PolarHBondContact O-N 3.06Å
8	Q	25.5	Very low	25	Very low	169 Å²	169	171.1 Å²	171.1	79%	0.79	81%	0.809	S	S	*	*			trans	-49	126.2	-169.1	-73.2	164.2	-40.5	0	0	112.8	D10	Q8-D10 PolarHBondContact O-N 3.46Å
9	Q	27.9	Very low	25.1	Very low	198 Å²	198	167.8 Å²	167.8	93%	0.925	79%	0.791	S	S	*	*	S	Bend	trans	-83.7	21.1	-179.5	-141.4	166.5	3.1	0	0	112.6	F7	F7-Q9 PolarHBondContact O-N 3.06Å
10	D	24.9	Very low	25.2	Very low	152 Å²	152	166 Å²	166	81%	0.813	79%	0.792	S	S	*	*			trans	-110.8	12.5	-167.2	-76.9	-30.1	0	0	0	115.7	Q8	Q8-D10 PolarHBondContact O-N 3.46Å
11	S	24.5	Very low	25.6	Very low	84 Å²	84	160.2 Å²	160.2	59%	0.587	77%	0.766	S	S	*	*	S	Bend	trans	-137.5	31.9	-171.7	68.1	0	0	0	0	116.1
12	F	25.7	Very low	25.5	Very low	201 Å²	201	151.4 Å²	151.4	88%	0.882	73%	0.729	S	S	*	*			trans	-152.5	59.6	171.1	-81.2	-77.5	0	0	0	112.6	P14	F12-P14 WeakPolarHBondContact O-CD 3.27Å
13	K	24.6	Very low	26	Very low	195 Å²	195	142.6 Å²	142.6	85%	0.848	70%	0.697	S	S	*	*			trans	-85.4	113	154.4	-94	-175.1	178.6	179.1	0	107.7	N15	K13-N15 PolarHBondContact O-N 2.91Å
14	P	26.6	Very low	26.4	Very low	103 Å²	103	141.6 Å²	141.6	67%	0.669	69%	0.691	S	S	*	*			trans	-64.2	103	170	27.1	-30.8	0	0	0	107.2	F12 Y16	F12-P14 WeakPolarHBondContact O-CD 3.27Å; P14-Y16 HydrophobicContact CB-CD2 3.99Å; P14-Y16 HydrophobicContact CB-CE2 4.46Å; P14-Y16 PolarHBondContact O-N 3.05Å
15	N	23.9	Very low	26.6	Very low	144 Å²	144	138 Å²	138	77%	0.77	69%	0.689	S	S	*	*			trans	-75.5	53.9	178.2	-131.4	1.7	0	0	0	109.7	K13 N17	K13-N15 PolarHBondContact O-N 2.91Å; N15-N17 PolarHBondContact O-N 3.05Å
16	Y	24.2	Very low	27.3	Very low	172 Å²	172	131.9 Å²	131.9	68%	0.675	66%	0.663	S	S	*	*			trans	-80.9	79.7	159.4	-73.3	-78.6	0	0	0	106.4	P14 S18	P14-Y16 HydrophobicContact CB-CD2 3.99Å; P14-Y16 HydrophobicContact CB-CE2 4.46Å; P14-Y16 PolarHBondContact O-N 3.05Å; Y16-S18 PolarHBondContact O-N 2.82Å
17	N	24.2	Very low	28.1	Very low	116 Å²	116	127.4 Å²	127.4	62%	0.62	65%	0.652	S	S	*	*			trans	-70.5	75.1	155.2	-88.7	-9.6	0	0	0	107.2	N15 K19	N15-N17 PolarHBondContact O-N 3.05Å; N17-K19 PolarHBondContact O-N 3.49Å
18	S	25.2	Very low	29.2	Very low	97 Å²	97	122.6 Å²	122.6	68%	0.678	63%	0.628	S	S	*	*			trans	-68	76.8	158.8	58.4	0	0	0	0	107	Y16 T20	Y16-S18 PolarHBondContact O-N 2.82Å; S18-T20 PolarHBondContact O-N 2.82Å; S18-T20 VanDerWaalsContact O-N 3.11Å
19	K	26.8	Very low	30.2	Very low	109 Å²	109	115.1 Å²	115.1	47%	0.474	59%	0.594	S	S	.	*			trans	-68.1	103.9	159.9	-85	-170.9	175.4	-171.2	0	105.7	N17 I21	N17-K19 PolarHBondContact O-N 3.49Å; K19-I21 PolarHBondContact O-N 3.14Å
20	T	27.2	Very low	31	Very low	131 Å²	131	111.9 Å²	111.9	80%	0.804	58%	0.579	S	S	*	*			trans	-63.3	104.5	167.1	-32.2	0	0	0	0	106.3	S18 S22	S18-T20 PolarHBondContact O-N 2.82Å; S18-T20 VanDerWaalsContact O-N 3.11Å; T20-S22 PolarHBondContact O-N 3.26Å; T20-S22 VanDerWaalsContact O-N 3.1Å
21	I	32.8	Very low	31.9	Very low	46 Å²	46	110.2 Å²	110.2	24%	0.236	57%	0.566	C	S	.	*			trans	-75.7	100.4	170.7	-59.7	173	0	0	0	105.4	K19 F23 Y101	K19-I21 PolarHBondContact O-N 3.14Å; I21-F23 HydrophobicContact CB-CE2 4.29Å; I21-F23 HydrophobicContact CB-CZ 4.48Å; I21-F23 HydrophobicContact CG2-CD1 4.28Å; I21-F23 HydrophobicContact CG2-CD2 4.17Å; I21-F23 HydrophobicContact CG2-CE1 3.93Å; I21-F23 HydrophobicContact CG2-CE2 3.81Å; I21-F23 HydrophobicContact CG2-CG 4.41Å; I21-F23 HydrophobicContact CG2-CZ 3.69Å; I21-F23 PolarHBondContact O-N 2.93Å; I21-Y101 HydrophobicContact CD1-CE2 4.25Å
22	S	26.4	Very low	33.2	Very low	66 Å²	66	107.5 Å²	107.5	46%	0.462	55%	0.545	S	S	.	.			trans	-79.9	105.1	171.8	61	0	0	0	0	108.3	T20 T24	T20-S22 PolarHBondContact O-N 3.26Å; T20-S22 VanDerWaalsContact O-N 3.1Å; S22-T24 PolarHBondContact O-N 3.32Å
23	F	34.7	Very low	34.4	Very low	60 Å²	60	99.9 Å²	99.9	26%	0.263	51%	0.513	S	S	.	.			trans	-74.9	73.7	167.4	-61.6	-82.3	0	0	0	108.6	I21 N25 L29 F312	I21-F23 HydrophobicContact CB-CE2 4.29Å; I21-F23 HydrophobicContact CB-CZ 4.48Å; I21-F23 HydrophobicContact CG2-CD1 4.28Å; I21-F23 HydrophobicContact CG2-CD2 4.17Å; I21-F23 HydrophobicContact CG2-CE1 3.93Å; I21-F23 HydrophobicContact CG2-CE2 3.81Å; I21-F23 HydrophobicContact CG2-CG 4.41Å; I21-F23 HydrophobicContact CG2-CZ 3.69Å; I21-F23 PolarHBondContact O-N 2.93Å; F23-N25 PolarHBondContact O-N 3.36Å; F23-L29 HydrophobicContact CB-CD2 3.67Å; F23-L29 HydrophobicContact CD1-CD2 3.51Å; F23-L29 HydrophobicContact CD2-CD2 3.3Å; F23-L29 HydrophobicContact CE1-CD2 3.86Å; F23-L29 HydrophobicContact CE2-CD2 3.67Å; F23-L29 HydrophobicContact CG-CD2 3.2Å; F23-L29 HydrophobicContact CZ-CD2 3.93Å; F23-F312 HydrophobicContact CE2-CE1 4.02Å; F23-F312 HydrophobicContact CE2-CZ 4.13Å; F23-F312 HydrophobicContact CZ-CE1 4.38Å; F23-F312 HydrophobicContact CZ-CZ 4.02Å
24	T	30.2	Very low	35.4	Very low	106 Å²	106	92.6 Å²	92.6	65%	0.65	49%	0.487	S	S	*	.	S	Bend	trans	-72.3	-12.5	-172.4	43.4	0	0	0	0	113.4	S22	S22-T24 PolarHBondContact O-N 3.32Å
25	N	29.7	Very low	36.4	Very low	151 Å²	151	91.9 Å²	91.9	81%	0.807	48%	0.476	S	S	*	.	S	Bend	trans	-143.5	12.4	-175.7	-107.9	-20.5	0	0	0	116.2	F23 Q27	F23-N25 PolarHBondContact O-N 3.36Å; N25-Q27 PolarHBondContact O-N 3.41Å
26	S	41.4	Very low	37.5	Very low	24 Å²	24	86.2 Å²	86.2	17%	0.168	45%	0.45	C	S	.	.			trans	-87.5	77	-176	-47.7	0	0	0	0	110.9	W28 L29 Q30	S26-W28 PolarHBondContact O-N 3.2Å; S26-W28 VanDerWaalsContact O-N 3.16Å; S26-L29 PolarHBondContact O-N 2.96Å; S26-Q30 PolarHBondContact O-N 3.27Å
27	Q	40.5	Very low	38.4	Very low	145 Å²	145	79.9 Å²	79.9	68%	0.678	43%	0.429	S	S	*	.	H	α-helix	trans	-51.3	-36.7	174.5	-82.4	-171.9	-18.3	0	0	112	N25 Q30 Q31	N25-Q27 PolarHBondContact O-N 3.41Å; Q27-Q30 PolarHBondContact O-N 3.42Å; Q27-Q31 WeakPolarHBondContact O-CB 3.45Å; Q27-Q31 VanDerWaalsContact O-CG 3.25Å; Q27-Q31 WeakPolarHBondContact O-CG 3.25Å; Q27-Q31 PolarHBondContact O-N 2.87Å
28	W	45.8	Very low	39.2	Very low	105 Å²	105	82.3 Å²	82.3	40%	0.398	43%	0.429	S	S	.	.	H	α-helix	trans	-62.8	-41.6	176	70	-96.1	0	0	0	112.1	S26 Q31 L32 V103 M106	S26-W28 PolarHBondContact O-N 3.2Å; S26-W28 VanDerWaalsContact O-N 3.16Å; W28-Q31 WeakPolarHBondContact O-CB 3.38Å; W28-Q31 PolarHBondContact O-N 3.42Å; W28-L32 HydrophobicContact CE3-CD1 4.42Å; W28-L32 HydrophobicContact CZ3-CD1 4.5Å; W28-L32 VanDerWaalsContact O-CB 3.25Å; W28-L32 WeakPolarHBondContact O-CB 3.29Å; W28-L32 PolarHBondContact O-N 3.4Å; W28-V103 HydrophobicContact CH2-CG2 3.68Å; W28-V103 HydrophobicContact CZ2-CG2 3.86Å; W28-M106 HydrophobicContact CZ3-CE 4.5Å; W28-M106 HydrophobicContact CZ3-SD 4.13Å
29	L	47.8	Very low	40.1	Very low	13 Å²	13	80.3 Å²	80.3	7%	0.068	41%	0.41	C	S	.	.	H	α-helix	trans	-70.4	-38.5	178.8	-173.8	71.6	0	0	0	110.8	F23 S26 Q31 L32 L33 L80	F23-L29 HydrophobicContact CB-CD2 3.67Å; F23-L29 HydrophobicContact CD1-CD2 3.51Å; F23-L29 HydrophobicContact CD2-CD2 3.3Å; F23-L29 HydrophobicContact CE1-CD2 3.86Å; F23-L29 HydrophobicContact CE2-CD2 3.67Å; F23-L29 HydrophobicContact CG-CD2 3.2Å; F23-L29 HydrophobicContact CZ-CD2 3.93Å; S26-L29 PolarHBondContact O-N 2.96Å; L29-Q31 VanDerWaalsContact C-N 3.35Å; L29-L32 PolarHBondContact O-N 2.86Å; L29-L33 HydrophobicContact CD1-CD1 3.87Å; L29-L33 HydrophobicContact CD2-CD1 4.35Å; L29-L33 HydrophobicContact CG-CD1 3.65Å; L29-L33 WeakPolarHBondContact O-CB 3.31Å; L29-L33 WeakPolarHBondContact O-CD1 3.49Å; L29-L33 PolarHBondContact O-N 3.32Å; L29-L80 HydrophobicContact CD1-CD1 4.35Å
30	Q	43.7	Very low	40.6	Very low	129 Å²	129	76.6 Å²	76.6	60%	0.603	40%	0.396	S	S	*	.	H	α-helix	trans	-63.2	-41.5	172.4	-69.4	-175.3	-5.4	0	0	111.7	S26 Q27 L32 S34	S26-Q30 PolarHBondContact O-N 3.27Å; Q27-Q30 PolarHBondContact O-N 3.42Å; Q30-L32 VanDerWaalsContact C-N 3.3Å; Q30-L32 PolarHBondContact O-N 3.39Å; Q30-S34 VanDerWaalsContact O-CB 3.26Å; Q30-S34 WeakPolarHBondContact O-CB 3.39Å; Q30-S34 PolarHBondContact O-N 2.76Å
31	Q	45	Very low	41	Very low	118 Å²	118	73.5 Å²	73.5	55%	0.551	38%	0.375	S	S	*	.	H	α-helix	trans	-61.3	-41.9	173.1	-76.6	172	-5.7	0	0	110.9	Q27 W28 L29 S34 I35	Q27-Q31 WeakPolarHBondContact O-CB 3.45Å; Q27-Q31 VanDerWaalsContact O-CG 3.25Å; Q27-Q31 WeakPolarHBondContact O-CG 3.25Å; Q27-Q31 PolarHBondContact O-N 2.87Å; W28-Q31 WeakPolarHBondContact O-CB 3.38Å; W28-Q31 PolarHBondContact O-N 3.42Å; L29-Q31 VanDerWaalsContact C-N 3.35Å; Q31-S34 WeakPolarHBondContact CA-OG 3.49Å; Q31-S34 CarbonylContact O-C 3.52Å; Q31-S34 WeakPolarHBondContact O-CA 3.41Å; Q31-S34 WeakPolarHBondContact O-CB 3.25Å; Q31-S34 PolarHBondContact O-N 2.8Å; Q31-S34 VanDerWaalsContact O-N 3.14Å; Q31-S34 PolarHBondContact O-OG 3.16Å; Q31-I35 VanDerWaalsContact O-CG1 3.29Å; Q31-I35 WeakPolarHBondContact O-CG1 3.29Å; Q31-I35 PolarHBondContact O-N 2.84Å
32	L	51.8	Low	41.1	Very low	27 Å²	27	74.9 Å²	74.9	14%	0.141	39%	0.385	C	S	.	.	H	α-helix	trans	-74.3	-40.2	-176.1	-152	150.8	0	0	0	112.4	W28 L29 Q30 S34 I35 A36 I78 M106 I108	W28-L32 HydrophobicContact CE3-CD1 4.42Å; W28-L32 HydrophobicContact CZ3-CD1 4.5Å; W28-L32 VanDerWaalsContact O-CB 3.25Å; W28-L32 WeakPolarHBondContact O-CB 3.29Å; W28-L32 PolarHBondContact O-N 3.4Å; L29-L32 PolarHBondContact O-N 2.86Å; Q30-L32 VanDerWaalsContact C-N 3.3Å; Q30-L32 PolarHBondContact O-N 3.39Å; L32-S34 VanDerWaalsContact C-N 3.26Å; L32-S34 PolarHBondContact O-N 2.97Å; L32-I35 PolarHBondContact O-N 3.29Å; L32-A36 WeakPolarHBondContact O-CB 3.43Å; L32-A36 PolarHBondContact O-N 2.79Å; L32-I78 HydrophobicContact CD2-CD1 3.7Å; L32-I78 HydrophobicContact CD2-CG1 4.42Å; L32-M106 HydrophobicContact CD1-CE 3.21Å; L32-M106 HydrophobicContact CD1-SD 3.35Å; L32-M106 WeakPolarHBondContact CD1-SD 3.39Å; L32-M106 HydrophobicContact CD2-CE 3.18Å; L32-M106 HydrophobicContact CD2-SD 4.44Å; L32-M106 HydrophobicContact CG-CE 3.74Å; L32-M106 HydrophobicContact CG-SD 4.47Å; L32-I108 HydrophobicContact CD1-CD1 4.24Å; L32-I108 HydrophobicContact CD2-CD1 3.58Å; L32-I108 HydrophobicContact CD2-CG1 4.08Å; L32-I108 HydrophobicContact CG-CD1 4.06Å
33	L	50.6	Low	41.6	Very low	40 Å²	40	73.6 Å²	73.6	21%	0.209	38%	0.375	C	S	.	.	H	α-helix	trans	-59.3	-39.1	165.1	-93.2	96.9	0	0	0	111.1	L29 I35 A36 V37 I278 I314	L29-L33 HydrophobicContact CD1-CD1 3.87Å; L29-L33 HydrophobicContact CD2-CD1 4.35Å; L29-L33 HydrophobicContact CG-CD1 3.65Å; L29-L33 WeakPolarHBondContact O-CB 3.31Å; L29-L33 WeakPolarHBondContact O-CD1 3.49Å; L29-L33 PolarHBondContact O-N 3.32Å; L33-I35 VanDerWaalsContact C-N 3.35Å; L33-I35 PolarHBondContact O-N 3.32Å; L33-A36 PolarHBondContact O-N 2.92Å; L33-V37 WeakPolarHBondContact O-CB 3.4Å; L33-V37 WeakPolarHBondContact O-CG2 3.04Å; L33-V37 PolarHBondContact O-N 2.95Å; L33-I278 HydrophobicContact CD2-CD1 4.13Å; L33-I278 HydrophobicContact CD2-CG2 4.48Å; L33-I314 HydrophobicContact CD2-CD1 4.09Å; L33-I314 HydrophobicContact CG-CD1 3.96Å
34	S	44.9	Very low	41.4	Very low	42 Å²	42	72.9 Å²	72.9	29%	0.294	37%	0.374	S	S	.	.	H	α-helix	trans	-66.6	-36	177.2	85.5	0	0	0	0	112.5	Q30 Q31 L32 R38	Q30-S34 VanDerWaalsContact O-CB 3.26Å; Q30-S34 WeakPolarHBondContact O-CB 3.39Å; Q30-S34 PolarHBondContact O-N 2.76Å; Q31-S34 WeakPolarHBondContact CA-OG 3.49Å; Q31-S34 CarbonylContact O-C 3.52Å; Q31-S34 WeakPolarHBondContact O-CA 3.41Å; Q31-S34 WeakPolarHBondContact O-CB 3.25Å; Q31-S34 PolarHBondContact O-N 2.8Å; Q31-S34 VanDerWaalsContact O-N 3.14Å; Q31-S34 PolarHBondContact O-OG 3.16Å; L32-S34 VanDerWaalsContact C-N 3.26Å; L32-S34 PolarHBondContact O-N 2.97Å; S34-R38 WeakPolarHBondContact O-CB 3.36Å; S34-R38 VanDerWaalsContact O-CG 3.27Å; S34-R38 WeakPolarHBondContact O-CG 3.34Å; S34-R38 PolarHBondContact O-N 3.44Å
35	I	46.9	Very low	41.5	Very low	89 Å²	89	73.5 Å²	73.5	46%	0.456	37%	0.371	S	S	.	.	H	α-helix	trans	-68.3	-45	174.8	-69.4	162.7	0	0	0	109.5	Q31 L32 L33 V37 R38 L39	Q31-I35 VanDerWaalsContact O-CG1 3.29Å; Q31-I35 WeakPolarHBondContact O-CG1 3.29Å; Q31-I35 PolarHBondContact O-N 2.84Å; L32-I35 PolarHBondContact O-N 3.29Å; L33-I35 VanDerWaalsContact C-N 3.35Å; L33-I35 PolarHBondContact O-N 3.32Å; I35-V37 VanDerWaalsContact C-N 3.34Å; I35-V37 PolarHBondContact O-N 3.32Å; I35-R38 PolarHBondContact O-N 3.49Å; I35-L39 HydrophobicContact CG2-CD1 3.75Å; I35-L39 HydrophobicContact CG2-CG 4.2Å; I35-L39 WeakPolarHBondContact O-CB 3.26Å; I35-L39 VanDerWaalsContact O-CG 3.29Å; I35-L39 WeakPolarHBondContact O-CG 3.4Å; I35-L39 PolarHBondContact O-N 3.29Å
36	A	47.2	Very low	41.6	Very low	25 Å²	25	73.7 Å²	73.7	21%	0.207	37%	0.368	C	S	.	.	H	α-helix	trans	-60.3	-42.5	176	0	0	0	0	0	112.1	L32 L33 N40 I78	L32-A36 WeakPolarHBondContact O-CB 3.43Å; L32-A36 PolarHBondContact O-N 2.79Å; L33-A36 PolarHBondContact O-N 2.92Å; A36-N40 WeakPolarHBondContact O-CB 3.41Å; A36-N40 PolarHBondContact O-N 2.81Å; A36-N40 VanDerWaalsContact O-N 3.09Å; A36-I78 HydrophobicContact CB-CD1 4.26Å
37	V	43.7	Very low	41.2	Very low	39 Å²	39	79 Å²	79	24%	0.236	39%	0.39	C	S	.	.	H	α-helix	trans	-66	-40.6	174.5	171	0	0	0	0	111.5	L33 I35 N40 N41	L33-V37 WeakPolarHBondContact O-CB 3.4Å; L33-V37 WeakPolarHBondContact O-CG2 3.04Å; L33-V37 PolarHBondContact O-N 2.95Å; I35-V37 VanDerWaalsContact C-N 3.34Å; I35-V37 PolarHBondContact O-N 3.32Å; V37-N40 PolarHBondContact O-N 3.42Å; V37-N41 VanDerWaalsContact O-CG 3.26Å; V37-N41 PolarHBondContact O-N 3.07Å
38	R	41.9	Very low	40.8	Very low	166 Å²	166	79 Å²	79	63%	0.626	39%	0.394	S	S	*	.	H	α-helix	trans	-66.2	-44.4	176.3	-78.7	-177.8	-156.5	-178.1	7.2	111.9	S34 I35 N40 N41 T42	S34-R38 WeakPolarHBondContact O-CB 3.36Å; S34-R38 VanDerWaalsContact O-CG 3.27Å; S34-R38 WeakPolarHBondContact O-CG 3.34Å; S34-R38 PolarHBondContact O-N 3.44Å; I35-R38 PolarHBondContact O-N 3.49Å; R38-N40 PolarHBondContact O-N 3.4Å; R38-N41 CarbonylContact O-C 3.57Å; R38-N41 PolarHBondContact O-N 3.39Å; R38-T42 PolarHBondContact O-N 2.84Å; R38-T42 PolarHBondContact O-OG1 3.15Å
39	L	42.9	Very low	40	Very low	55 Å²	55	80.9 Å²	80.9	29%	0.288	41%	0.411	S	S	.	.	H	α-helix	trans	-58.1	-40.1	177.3	-76.4	169.1	0	0	0	111	I35 T42 T43 V110	I35-L39 HydrophobicContact CG2-CD1 3.75Å; I35-L39 HydrophobicContact CG2-CG 4.2Å; I35-L39 WeakPolarHBondContact O-CB 3.26Å; I35-L39 VanDerWaalsContact O-CG 3.29Å; I35-L39 WeakPolarHBondContact O-CG 3.4Å; I35-L39 PolarHBondContact O-N 3.29Å; L39-T42 WeakPolarHBondContact CA-OG1 3.32Å; L39-T42 PolarHBondContact O-OG1 3.19Å; L39-T42 VanDerWaalsContact O-OG1 3.1Å; L39-T43 PolarHBondContact O-OG1 3.39Å; L39-V110 HydrophobicContact CD1-CG2 4.42Å
40	N	38.8	Very low	38.9	Very low	32 Å²	32	84.9 Å²	84.9	17%	0.171	44%	0.44	C	S	.	.	H	α-helix	trans	-66.7	-34.3	173.8	-163.2	5.6	0	0	0	113.2	A36 V37 R38 T43 T74	A36-N40 WeakPolarHBondContact O-CB 3.41Å; A36-N40 PolarHBondContact O-N 2.81Å; A36-N40 VanDerWaalsContact O-N 3.09Å; V37-N40 PolarHBondContact O-N 3.42Å; R38-N40 PolarHBondContact O-N 3.4Å; N40-T43 PolarHBondContact O-OG1 2.89Å; N40-T74 PolarHBondContact ND2-O 3.18Å; N40-T74 WeakPolarHBondContact OD1-CB 3.35Å; N40-T74 PolarHBondContact OD1-O 3.09Å
41	N	35.5	Very low	38.2	Very low	66 Å²	66	85.3 Å²	85.3	35%	0.353	45%	0.454	S	S	.	.	H	α-helix	trans	-80.3	-33.7	178.6	-69.2	-11	0	0	0	113.2	V37 R38 T43 N44 I45	V37-N41 VanDerWaalsContact O-CG 3.26Å; V37-N41 PolarHBondContact O-N 3.07Å; R38-N41 CarbonylContact O-C 3.57Å; R38-N41 PolarHBondContact O-N 3.39Å; N41-T43 VanDerWaalsContact C-N 3.33Å; N41-T43 PolarHBondContact O-N 3.27Å; N41-N44 PolarHBondContact O-N 3.41Å; N41-I45 WeakPolarHBondContact O-CD1 3.03Å; N41-I45 VanDerWaalsContact O-CG1 3.32Å; N41-I45 WeakPolarHBondContact O-CG1 2.91Å; N41-I45 PolarHBondContact O-N 3.28Å
42	T	34.4	Very low	37.3	Very low	74 Å²	74	84 Å²	84	45%	0.454	46%	0.457	S	S	.	.	H	α-helix	trans	-67.1	-32.7	-178.6	29.9	0	0	0	0	113.1	R38 L39 N44 I45 Q46	R38-T42 PolarHBondContact O-N 2.84Å; R38-T42 PolarHBondContact O-OG1 3.15Å; L39-T42 WeakPolarHBondContact CA-OG1 3.32Å; L39-T42 PolarHBondContact O-OG1 3.19Å; L39-T42 VanDerWaalsContact O-OG1 3.1Å; T42-N44 VanDerWaalsContact C-N 3.33Å; T42-I45 PolarHBondContact O-N 3.11Å; T42-Q46 PolarHBondContact O-N 2.72Å
43	T	35.6	Very low	36.2	Very low	40 Å²	40	88.9 Å²	88.9	25%	0.245	48%	0.484	C	S	.	.	H	α-helix	trans	-71.2	-29	176.4	46.7	0	0	0	0	112.3	L39 N40 N41 I45 T74 T112	L39-T43 PolarHBondContact O-OG1 3.39Å; N40-T43 PolarHBondContact O-OG1 2.89Å; N41-T43 VanDerWaalsContact C-N 3.33Å; N41-T43 PolarHBondContact O-N 3.27Å; T43-I45 VanDerWaalsContact C-N 3.3Å; T43-I45 PolarHBondContact O-N 3.37Å; T43-T74 WeakPolarHBondContact CB-OG1 3.16Å; T43-T74 HydrophobicContact CG2-CG2 4.43Å; T43-T74 WeakPolarHBondContact OG1-CB 3.38Å; T43-T74 PolarHBondContact OG1-OG1 3.14Å; T43-T112 HydrophobicContact CG2-CG2 4.38Å
44	N	30.6	Very low	35.3	Very low	45 Å²	45	94.1 Å²	94.1	24%	0.241	51%	0.512	C	S	.	.	H	α-helix	trans	-74.3	-15.7	172.1	-78.5	-16.6	0	0	0	113.8	N41 T42 P72	N41-N44 PolarHBondContact O-N 3.41Å; T42-N44 VanDerWaalsContact C-N 3.33Å; N44-P72 PolarHBondContact OD1-O 2.85Å
45	I	32.7	Very low	34.6	Very low	118 Å²	118	97.8 Å²	97.8	61%	0.605	54%	0.535	S	S	*	.	H	α-helix	trans	-96.2	-21.7	-174.9	-66	165.7	0	0	0	112.2	N41 T42 T43 E47	N41-I45 WeakPolarHBondContact O-CD1 3.03Å; N41-I45 VanDerWaalsContact O-CG1 3.32Å; N41-I45 WeakPolarHBondContact O-CG1 2.91Å; N41-I45 PolarHBondContact O-N 3.28Å; T42-I45 PolarHBondContact O-N 3.11Å; T43-I45 VanDerWaalsContact C-N 3.3Å; T43-I45 PolarHBondContact O-N 3.37Å; I45-E47 VanDerWaalsContact C-N 3.32Å; I45-E47 PolarHBondContact O-N 2.76Å
46	Q	32.7	Very low	33.8	Very low	156 Å²	156	99.6 Å²	99.6	73%	0.729	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-8.7	-175.3	-97.5	178.5	-30.8	0	0	115.7	T42	T42-Q46 PolarHBondContact O-N 2.72Å
47	E	32.8	Very low	32.8	Very low	136 Å²	136	104 Å²	104	64%	0.636	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	0.6	178.5	-74.7	-172.6	164.6	0	0	115	I45 P72	I45-E47 VanDerWaalsContact C-N 3.32Å; I45-E47 PolarHBondContact O-N 2.76Å; E47-P72 WeakPolarHBondContact OE2-CD 3.3Å; E47-P72 WeakPolarHBondContact OE2-CG 3.11Å
48	N	30.7	Very low	32	Very low	143 Å²	143	107.6 Å²	107.6	77%	0.765	60%	0.597	S	S	*	*			trans	-96.8	16.2	177.4	-82.6	-20.3	0	0	0	114.3	S50	N48-S50 PolarHBondContact O-N 3.38Å
49	I	29.9	Very low	31.3	Very low	146 Å²	146	105.8 Å²	105.8	75%	0.749	60%	0.599	S	S	*	*	S	Bend	trans	-87.8	98.2	170.4	-55.3	176.2	0	0	0	107.6
50	S	25.6	Very low	30.5	Very low	96 Å²	96	109.4 Å²	109.4	67%	0.671	62%	0.619	S	S	*	*			trans	-37.6	133.2	-179.9	-51.8	0	0	0	0	114.7	N48 S52	N48-S50 PolarHBondContact O-N 3.38Å; S50-S52 PolarHBondContact O-N 3.1Å
51	P	28.6	Very low	30.1	Very low	138 Å²	138	115.5 Å²	115.5	90%	0.896	65%	0.652	S	S	*	*			trans	-76.2	81.7	160.6	31.9	-28.3	0	0	0	107.7
52	S	26.2	Very low	29.7	Very low	90 Å²	90	119.7 Å²	119.7	63%	0.629	67%	0.673	S	S	*	*			trans	-76.4	139.4	159.3	-170.6	0	0	0	0	107.1	S50	S50-S52 PolarHBondContact O-N 3.1Å
53	D	29.2	Very low	29.3	Very low	130 Å²	130	125.1 Å²	125.1	70%	0.695	69%	0.692	S	S	*	*	S	Bend	trans	89.5	75.1	167.8	-42.4	-16.6	0	0	0	114.8
54	N	31	Very low	28.8	Very low	151 Å²	151	131.2 Å²	131.2	81%	0.807	72%	0.723	S	S	*	*				179.4	125.8	103.1	-86.2	-35.2	0	0	0	112.5
55	P	29.6	Very low	28.5	Very low	119 Å²	119	131.7 Å²	131.7	77%	0.773	74%	0.739	S	S	*	*			trans	-93.4	123	179.4	34.8	-27.4	0	0	0	110.7
56	T	29.5	Very low	28.2	Very low	126 Å²	126	133.3 Å²	133.3	77%	0.773	75%	0.748	S	S	*	*			trans	-157.4	108.7	156.9	21.2	0	0	0	0	110.1
57	T	26.5	Very low	27.8	Very low	117 Å²	117	131.5 Å²	131.5	72%	0.718	75%	0.747	S	S	*	*			trans	30.8	126.5	130.7	44.7	0	0	0	0	116.5
58	T	27.4	Very low	27.5	Very low	115 Å²	115	131.2 Å²	131.2	71%	0.706	75%	0.749	S	S	*	*			cis	176.7	149.9	46.8	-2.5	0	0	0	0	109.5
59	N	27.7	Very low	27.3	Very low	128 Å²	128	130.1 Å²	130.1	68%	0.684	75%	0.748	S	S	*	*			trans	76.3	106.6	145.8	-70.8	-11.3	0	0	0	121.8
60	N	26.4	Very low	27.4	Very low	132 Å²	132	126.7 Å²	126.7	71%	0.706	73%	0.734	S	S	*	*				56.3	99.3	119.9	-57.1	-11.9	0	0	0	117.7
61	N	28.7	Very low	27.7	Very low	159 Å²	159	126 Å²	126	85%	0.85	73%	0.726	S	S	*	*				-171.4	141	107.4	-92.6	-25.1	0	0	0	112.6	H63	N61-H63 PolarHBondContact O-N 2.95Å
62	I	27.6	Very low	27.9	Very low	155 Å²	155	121.5 Å²	121.5	80%	0.795	70%	0.696	S	S	*	*			trans	-63.9	111.1	-179.2	-65.8	155.3	0	0	0	109.5
63	H	27	Very low	28.5	Very low	187 Å²	187	120.8 Å²	120.8	87%	0.866	69%	0.688	S	S	*	*			trans	-147.6	111.1	146.9	-106.5	-47.1	0	0	0	109.5	N61 G65	N61-H63 PolarHBondContact O-N 2.95Å; H63-G65 PolarHBondContact O-N 3.45Å
64	N	24.8	Very low	28.9	Very low	168 Å²	168	114.9 Å²	114.9	90%	0.898	66%	0.657	S	S	*	*			trans	-51.7	101.1	165.7	-75.7	-25.2	0	0	0	110
65	G	24.7	Very low	29.4	Very low	55 Å²	55	110.3 Å²	110.3	57%	0.567	64%	0.635	S	S	*	*			trans	-128.6	110.5	165.1	0	0	0	0	0	107.3	H63 V67	H63-G65 PolarHBondContact O-N 3.45Å; G65-V67 VanDerWaalsContact C-N 3.27Å; G65-V67 PolarHBondContact O-N 2.76Å
66	I	25.9	Very low	29.9	Very low	153 Å²	153	105.9 Å²	105.9	79%	0.785	61%	0.611	S	S	*	*			trans	-59.4	98.4	165.8	-64.6	169.2	0	0	0	105.7	N68	I66-N68 VanDerWaalsContact C-N 3.29Å; I66-N68 WeakPolarHBondContact CG2-OD1 3.38Å; I66-N68 PolarHBondContact O-N 2.93Å
67	V	24.8	Very low	30.6	Very low	118 Å²	118	100 Å²	100	72%	0.715	57%	0.574	S	S	*	*			trans	-71.6	95.1	169.7	-175.2	0	0	0	0	105.2	G65 T69	G65-V67 VanDerWaalsContact C-N 3.27Å; G65-V67 PolarHBondContact O-N 2.76Å; V67-T69 HydrophobicContact CG1-CG2 3.86Å; V67-T69 PolarHBondContact O-N 2.86Å
68	N	25.6	Very low	31.5	Very low	129 Å²	129	94.7 Å²	94.7	69%	0.69	54%	0.542	S	S	*	.			trans	-64.7	81.3	164.6	-79.5	-19.8	0	0	0	107.7	I66 T70	I66-N68 VanDerWaalsContact C-N 3.29Å; I66-N68 WeakPolarHBondContact CG2-OD1 3.38Å; I66-N68 PolarHBondContact O-N 2.93Å; N68-T70 HydrophobicContact CB-CG2 4.37Å; N68-T70 PolarHBondContact O-N 2.61Å
69	T	26.9	Very low	32.3	Very low	121 Å²	121	89.8 Å²	89.8	74%	0.742	51%	0.511	S	S	*	.			trans	-67.7	81.1	163.8	41.4	0	0	0	0	107.7	V67 V71	V67-T69 HydrophobicContact CG1-CG2 3.86Å; V67-T69 PolarHBondContact O-N 2.86Å; T69-V71 PolarHBondContact O-N 3.21Å
70	T	31.3	Very low	33.1	Very low	73 Å²	73	83.8 Å²	83.8	45%	0.448	48%	0.479	S	S	.	.			trans	-72.7	110.7	174.6	50.1	0	0	0	0	109.1	N68 K114	N68-T70 HydrophobicContact CB-CG2 4.37Å; N68-T70 PolarHBondContact O-N 2.61Å; T70-K114 VanDerWaalsContact CB-NZ 3.32Å; T70-K114 WeakPolarHBondContact OG1-CE 3.22Å; T70-K114 PolarHBondContact OG1-NZ 3.34Å
71	V	32.1	Very low	33.8	Very low	83 Å²	83	79.3 Å²	79.3	50%	0.503	45%	0.454	S	S	.	.			trans	-47.2	133.1	170.3	-177.4	0	0	0	0	109.8	T69 T73	T69-V71 PolarHBondContact O-N 3.21Å; V71-T73 PolarHBondContact O-N 2.87Å
72	P	34	Very low	34.5	Very low	42 Å²	42	72.7 Å²	72.7	27%	0.273	42%	0.418	S	S	.	.			trans	-64.5	102.7	178	23.9	-31	0	0	0	110.7	N44 E47 T74	N44-P72 PolarHBondContact OD1-O 2.85Å; E47-P72 WeakPolarHBondContact OE2-CD 3.3Å; E47-P72 WeakPolarHBondContact OE2-CG 3.11Å; P72-T74 PolarHBondContact O-N 3.38Å
73	T	38	Very low	35	Very low	75 Å²	75	70.1 Å²	70.1	46%	0.46	40%	0.399	S	S	.	.			trans	-73	120	174.5	51.8	0	0	0	0	109.9	V71	V71-T73 PolarHBondContact O-N 2.87Å
74	T	38.5	Very low	35.7	Very low	7 Å²	7	61.7 Å²	61.7	4%	0.043	36%	0.361	C	S	.	.			trans	-82	133.5	170.4	-56	0	0	0	0	108.5	N40 T43 P72 V110 W111 T112	N40-T74 PolarHBondContact ND2-O 3.18Å; N40-T74 WeakPolarHBondContact OD1-CB 3.35Å; N40-T74 PolarHBondContact OD1-O 3.09Å; T43-T74 WeakPolarHBondContact CB-OG1 3.16Å; T43-T74 HydrophobicContact CG2-CG2 4.43Å; T43-T74 WeakPolarHBondContact OG1-CB 3.38Å; T43-T74 PolarHBondContact OG1-OG1 3.14Å; P72-T74 PolarHBondContact O-N 3.38Å; T74-V110 HydrophobicContact CG2-CG1 3.56Å; T74-W111 WeakPolarHBondContact CA-O 3.17Å; T74-W111 WeakPolarHBondContact CG2-O 2.96Å; T74-T112 HydrophobicContact CG2-CG2 4.09Å
75	T	40.6	Very low	36.4	Very low	54 Å²	54	58 Å²	58	33%	0.331	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	162.7	171.6	-35.1	0	0	0	0	106.7	W111	T75-W111 PolarHBondContact N-O 3.46Å; T75-W111 PolarHBondContact O-N 3.08Å; T75-W111 PolarHBondContact O-NE1 2.74Å; T75-W111 VanDerWaalsContact O-O 3.14Å
76	G	39.7	Very low	37	Very low	26 Å²	26	59.6 Å²	59.6	27%	0.268	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	152.9	172.6	0	0	0	0	0	110.8	I109	G76-I109 CarbonylContact C-O 3.55Å; G76-I109 WeakPolarHBondContact CA-O 3.26Å
77	C	44.4	Very low	37.8	Very low	2 Å²	2	55.8 Å²	55.8	1%	0.014	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149.6	169.6	73.7	0	0	0	0	111	I109 W111 F122	C77-I109 PolarHBondContact N-O 3.11Å; C77-I109 PolarHBondContact O-N 2.96Å; C77-W111 HydrophobicContact CB-CH2 4.45Å; C77-W111 HydrophobicContact CB-CZ2 3.83Å; C77-F122 HydrophobicContact CB-CE2 3.61Å; C77-F122 HydrophobicContact CB-CZ 4.22Å
78	I	45	Very low	38.3	Very low	7 Å²	7	58.8 Å²	58.8	4%	0.036	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118.4	173.7	-58.5	174.8	0	0	0	106.7	L32 A36 L80 M106 F312 I314	L32-I78 HydrophobicContact CD2-CD1 3.7Å; L32-I78 HydrophobicContact CD2-CG1 4.42Å; A36-I78 HydrophobicContact CB-CD1 4.26Å; I78-L80 HydrophobicContact CG2-CD2 4.12Å; I78-L80 HydrophobicContact CG2-CG 4.2Å; I78-M106 HydrophobicContact CG2-CE 3.34Å; I78-F312 PolarHBondContact O-N 3.39Å; I78-I314 HydrophobicContact CD1-CD1 3.67Å; I78-I314 HydrophobicContact CG1-CD1 4.29Å
79	I	45.3	Very low	38.6	Very low	12 Å²	12	59.9 Å²	59.9	6%	0.062	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126	172.7	-58.2	-168.6	0	0	0	108.7	Q107 W125	I79-Q107 HydrophobicContact CB-CB 4.36Å; I79-Q107 PolarHBondContact N-O 2.98Å; I79-Q107 PolarHBondContact O-N 3.21Å; I79-W125 HydrophobicContact CD1-CH2 3.36Å; I79-W125 HydrophobicContact CD1-CZ3 3.58Å; I79-W125 HydrophobicContact CG1-CH2 4.42Å
80	L	43.3	Very low	38.7	Very low	2 Å²	2	57.9 Å²	57.9	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119.9	174.2	-60.8	177.5	0	0	0	108.8	L29 I78 L82 V103 M106 F312	L29-L80 HydrophobicContact CD1-CD1 4.35Å; I78-L80 HydrophobicContact CG2-CD2 4.12Å; I78-L80 HydrophobicContact CG2-CG 4.2Å; L80-L82 HydrophobicContact CB-CD2 3.96Å; L80-L82 HydrophobicContact CB-CG 4.15Å; L80-L82 HydrophobicContact CD1-CD2 4.47Å; L80-L82 PolarHBondContact O-N 2.89Å; L80-V103 HydrophobicContact CD2-CG1 4.06Å; L80-M106 HydrophobicContact CD2-CB 4.19Å; L80-M106 HydrophobicContact CD2-CE 3.74Å; L80-M106 HydrophobicContact CD2-CG 3.82Å; L80-M106 HydrophobicContact CD2-SD 3.91Å; L80-F312 HydrophobicContact CB-CE2 4.22Å; L80-F312 HydrophobicContact CD1-CD2 4.01Å; L80-F312 HydrophobicContact CD1-CE2 3.68Å; L80-F312 HydrophobicContact CD1-CZ 4.45Å; L80-F312 HydrophobicContact CG-CD2 4.29Å; L80-F312 HydrophobicContact CG-CE2 4.22Å
81	E	42.4	Very low	38.7	Very low	37 Å²	37	63.8 Å²	63.8	17%	0.173	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	108.4	160.3	-168.3	171.7	-175.3	0	0	107.1	L104 K105 K137	E81-L104 HydrophobicContact CB-CB 4.43Å; E81-L104 HydrophobicContact CG-CB 4.29Å; E81-L104 HydrophobicContact CG-CD1 4.46Å; E81-L104 PolarHBondContact O-N 3.48Å; E81-K105 HydrophobicContact CB-CB 3.84Å; E81-K105 PolarHBondContact N-O 3.49Å; E81-K105 PolarHBondContact O-N 2.69Å; E81-K137 IonicContact OE1-NZ 3.48Å; E81-K137 PolarHBondContact OE1-NZ 3.45Å
82	L	42.2	Very low	38.7	Very low	21 Å²	21	67.6 Å²	67.6	11%	0.11	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	141.4	179.6	-59.3	176.5	0	0	0	109.6	L80 Y101 S102 V103	L80-L82 HydrophobicContact CB-CD2 3.96Å; L80-L82 HydrophobicContact CB-CG 4.15Å; L80-L82 HydrophobicContact CD1-CD2 4.47Å; L80-L82 PolarHBondContact O-N 2.89Å; L82-Y101 HydrophobicContact CB-CD1 4.05Å; L82-Y101 HydrophobicContact CB-CG 4.44Å; L82-Y101 HydrophobicContact CD1-CG 4.41Å; L82-S102 CarbonylContact C-O 3.55Å; L82-S102 WeakPolarHBondContact CA-O 3.28Å; L82-V103 HydrophobicContact CD2-CG2 3.83Å
83	Y	38.5	Very low	38.5	Very low	100 Å²	100	71.6 Å²	71.6	39%	0.392	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.5	169.5	179.9	-98	0	0	0	109.4	K85 Y101 S102 L104	Y83-K85 PolarHBondContact O-N 2.99Å; Y83-Y101 CarbonylContact O-C 3.59Å; Y83-Y101 WeakPolarHBondContact O-CA 3.48Å; Y83-S102 PolarHBondContact N-O 3.01Å; Y83-S102 PolarHBondContact O-N 2.98Å; Y83-L104 HydrophobicContact CD2-CD1 4.15Å; Y83-L104 HydrophobicContact CG-CD1 4.12Å; Y83-L104 HydrophobicContact CG-CG 4.38Å
84	D	42.6	Very low	38.3	Very low	10 Å²	10	77.2 Å²	77.2	5%	0.053	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	117.2	173.3	-164.2	-28.6	0	0	0	109.6	N86 L90 Y101	D84-N86 PolarHBondContact O-N 3.33Å; D84-N86 PolarHBondContact OD1-N 2.83Å; D84-L90 WeakPolarHBondContact OD2-CD1 3.26Å; D84-Y101 HydrophobicContact CB-CE1 4.4Å
85	K	39.3	Very low	38	Very low	92 Å²	92	82 Å²	82	40%	0.4	40%	0.403	S	S	.	.	S	Bend	trans	-63.5	-23.8	178.1	-75	-169.7	178.6	-178.7	0	111.7	Y83 P87 D100 S102 E152	Y83-K85 PolarHBondContact O-N 2.99Å; K85-P87 WeakPolarHBondContact O-CD 3.45Å; K85-D100 HydrophobicContact CB-CB 4.5Å; K85-D100 PolarHBondContact N-O 2.99Å; K85-S102 WeakPolarHBondContact CD-OG 3.47Å; K85-S102 WeakPolarHBondContact CE-OG 3.45Å; K85-S102 WeakPolarHBondContact CG-OG 3.31Å; K85-E152 IonicContact NZ-OE1 2.68Å; K85-E152 PolarHBondContact NZ-OE1 3.41Å
86	N	36.9	Very low	37.6	Very low	88 Å²	88	89.3 Å²	89.3	47%	0.471	43%	0.431	S	S	.	.			trans	-126.3	73.2	-175.5	-77.9	-38.3	0	0	0	111.7	D84 M88 F89	D84-N86 PolarHBondContact O-N 3.33Å; D84-N86 PolarHBondContact OD1-N 2.83Å; N86-M88 PolarHBondContact O-N 2.97Å; N86-F89 HydrophobicContact CB-CD2 4.34Å; N86-F89 PolarHBondContact O-N 3.27Å
87	P	42.1	Very low	37.2	Very low	73 Å²	73	94 Å²	94	47%	0.474	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-63	-14	-179.1	26.1	-34.3	0	0	0	113.9	K85	K85-P87 WeakPolarHBondContact O-CD 3.45Å
88	M	35.1	Very low	36.8	Very low	181 Å²	181	100.8 Å²	100.8	89%	0.892	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-81.2	-10.4	-179.1	-78.5	-159.2	78.2	0	0	115.4	N86	N86-M88 PolarHBondContact O-N 2.97Å
89	F	31.8	Very low	36.5	Very low	152 Å²	152	102.8 Å²	102.8	67%	0.667	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-93.4	0.7	-174	-94.7	-83.3	0	0	0	115.5	N86 Y91	N86-F89 HydrophobicContact CB-CD2 4.34Å; N86-F89 PolarHBondContact O-N 3.27Å; F89-Y91 PolarHBondContact O-N 2.91Å
90	L	30.3	Very low	36.2	Very low	78 Å²	78	107.4 Å²	107.4	41%	0.408	52%	0.517	S	S	.	.	S	Bend	trans	-93.9	97	177.7	-71.9	154.3	0	0	0	108	D84	D84-L90 WeakPolarHBondContact OD2-CD1 3.26Å
91	Y	30.7	Very low	36.1	Very low	198 Å²	198	109.8 Å²	109.8	78%	0.776	53%	0.526	S	S	*	.	S	Bend		177.6	-8.2	128.2	-97.1	-69	0	0	0	116.7	F89	F89-Y91 PolarHBondContact O-N 2.91Å
92	D	33	Very low	35.8	Very low	163 Å²	163	109 Å²	109	87%	0.872	53%	0.525	S	S	*	.	S	Bend	trans	-132.1	15.8	-169	-93.2	-19.8	0	0	0	117.8
93	Q	29.9	Very low	35.8	Very low	126 Å²	126	109.1 Å²	109.1	59%	0.589	53%	0.526	S	S	*	.			trans	-129.5	118.3	173.3	-72.8	180	-30.4	0	0	111	D95	Q93-D95 HydrophobicContact CB-CB 4.38Å; Q93-D95 PolarHBondContact O-N 3.43Å; Q93-D95 VanDerWaalsContact O-N 3.09Å
94	E	33.6	Very low	35.9	Very low	192 Å²	192	107.5 Å²	107.5	90%	0.897	52%	0.524	S	S	*	.			trans	-65.8	4.8	167.2	-69	-172.6	147.9	0	0	112.4
95	D	31.3	Very low	35.7	Very low	107 Å²	107	109.7 Å²	109.7	57%	0.572	53%	0.533	S	S	*	.	S	Bend	trans	-83.8	121.9	179	-67.5	-37.9	0	0	0	110.9	Q93 H97	Q93-D95 HydrophobicContact CB-CB 4.38Å; Q93-D95 PolarHBondContact O-N 3.43Å; Q93-D95 VanDerWaalsContact O-N 3.09Å; D95-H97 VanDerWaalsContact C-N 3.3Å; D95-H97 PolarHBondContact O-N 3.24Å
96	F	31.6	Very low	35.9	Very low	208 Å²	208	105.4 Å²	105.4	91%	0.912	51%	0.514	S	S	*	.			trans	-64.1	83.7	177.9	-65.7	-97.3	0	0	0	110.6
97	H	32.5	Very low	36.3	Very low	125 Å²	125	101.9 Å²	101.9	58%	0.579	50%	0.495	S	S	*	.			trans	-93.1	130.9	167.8	-68.4	-47.5	0	0	0	110.6	D95 I99	D95-H97 VanDerWaalsContact C-N 3.3Å; D95-H97 PolarHBondContact O-N 3.24Å; H97-I99 PolarHBondContact O-N 2.89Å
98	D	35.6	Very low	36.5	Very low	145 Å²	145	99.7 Å²	99.7	78%	0.775	48%	0.479	S	S	*	.			trans	-55	119	171.4	-73.6	-38.6	0	0	0	108.9
99	I	38.5	Very low	37	Very low	48 Å²	48	91.5 Å²	91.5	25%	0.246	44%	0.439	C	S	.	.			trans	-86.1	115.7	179.2	-59.8	172.4	0	0	0	108	H97 Y101	H97-I99 PolarHBondContact O-N 2.89Å; I99-Y101 HydrophobicContact CB-CD2 4.37Å; I99-Y101 HydrophobicContact CB-CE2 3.8Å; I99-Y101 HydrophobicContact CG2-CD1 4.35Å; I99-Y101 HydrophobicContact CG2-CD2 4.03Å; I99-Y101 HydrophobicContact CG2-CE1 3.91Å; I99-Y101 HydrophobicContact CG2-CE2 3.57Å; I99-Y101 HydrophobicContact CG2-CG 4.41Å; I99-Y101 VanDerWaalsContact CG2-CZ 3.49Å; I99-Y101 WeakPolarHBondContact O-CD2 3.44Å; I99-Y101 PolarHBondContact O-N 3.17Å
100	D	38.3	Very low	37.5	Very low	109 Å²	109	84.9 Å²	84.9	58%	0.583	41%	0.411	S	S	*	.			trans	-76	105	173.1	-84.8	-21.4	0	0	0	110.7	K85	K85-D100 HydrophobicContact CB-CB 4.5Å; K85-D100 PolarHBondContact N-O 2.99Å
101	Y	41.4	Very low	38.4	Very low	53 Å²	53	82.3 Å²	82.3	21%	0.208	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	132.6	171.4	-67.1	-76.2	0	0	0	111.1	I21 L82 Y83 D84 I99	I21-Y101 HydrophobicContact CD1-CE2 4.25Å; L82-Y101 HydrophobicContact CB-CD1 4.05Å; L82-Y101 HydrophobicContact CB-CG 4.44Å; L82-Y101 HydrophobicContact CD1-CG 4.41Å; Y83-Y101 CarbonylContact O-C 3.59Å; Y83-Y101 WeakPolarHBondContact O-CA 3.48Å; D84-Y101 HydrophobicContact CB-CE1 4.4Å; I99-Y101 HydrophobicContact CB-CD2 4.37Å; I99-Y101 HydrophobicContact CB-CE2 3.8Å; I99-Y101 HydrophobicContact CG2-CD1 4.35Å; I99-Y101 HydrophobicContact CG2-CD2 4.03Å; I99-Y101 HydrophobicContact CG2-CE1 3.91Å; I99-Y101 HydrophobicContact CG2-CE2 3.57Å; I99-Y101 HydrophobicContact CG2-CG 4.41Å; I99-Y101 VanDerWaalsContact CG2-CZ 3.49Å; I99-Y101 WeakPolarHBondContact O-CD2 3.44Å; I99-Y101 PolarHBondContact O-N 3.17Å
102	S	37	Very low	38.7	Very low	21 Å²	21	75.5 Å²	75.5	15%	0.147	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	144.1	159.3	-54.6	0	0	0	0	110.1	L82 Y83 K85	L82-S102 CarbonylContact C-O 3.55Å; L82-S102 WeakPolarHBondContact CA-O 3.28Å; Y83-S102 PolarHBondContact N-O 3.01Å; Y83-S102 PolarHBondContact O-N 2.98Å; K85-S102 WeakPolarHBondContact CD-OG 3.47Å; K85-S102 WeakPolarHBondContact CE-OG 3.45Å; K85-S102 WeakPolarHBondContact CG-OG 3.31Å
103	V	43	Very low	39	Very low	23 Å²	23	71.6 Å²	71.6	14%	0.139	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	112.2	167.1	-175.9	0	0	0	0	108	W28 L80 L82 M106 L153	W28-V103 HydrophobicContact CH2-CG2 3.68Å; W28-V103 HydrophobicContact CZ2-CG2 3.86Å; L80-V103 HydrophobicContact CD2-CG1 4.06Å; L82-V103 HydrophobicContact CD2-CG2 3.83Å; V103-M106 HydrophobicContact CG1-CB 4.27Å; V103-L153 HydrophobicContact CG1-CD1 4.01Å
104	L	39.1	Very low	39.4	Very low	66 Å²	66	70.9 Å²	70.9	35%	0.346	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-42.1	175.2	-77.9	175	0	0	0	111.4	E81 Y83 S154	E81-L104 HydrophobicContact CB-CB 4.43Å; E81-L104 HydrophobicContact CG-CB 4.29Å; E81-L104 HydrophobicContact CG-CD1 4.46Å; E81-L104 PolarHBondContact O-N 3.48Å; Y83-L104 HydrophobicContact CD2-CD1 4.15Å; Y83-L104 HydrophobicContact CG-CD1 4.12Å; Y83-L104 HydrophobicContact CG-CG 4.38Å; L104-S154 PolarHBondContact O-OG 2.85Å
105	K	40	Very low	39.6	Very low	55 Å²	55	64.9 Å²	64.9	24%	0.239	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	140.1	-176.3	-169.8	176.4	-179.3	179.8	0	110.1	E81	E81-K105 HydrophobicContact CB-CB 3.84Å; E81-K105 PolarHBondContact N-O 3.49Å; E81-K105 PolarHBondContact O-N 2.69Å
106	M	43.4	Very low	39.8	Very low	2 Å²	2	66.9 Å²	66.9	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129	176.3	-179.4	164.2	-158.7	0	0	110.4	W28 L32 I78 L80 V103 I108 L153 I155 T156 N157	W28-M106 HydrophobicContact CZ3-CE 4.5Å; W28-M106 HydrophobicContact CZ3-SD 4.13Å; L32-M106 HydrophobicContact CD1-CE 3.21Å; L32-M106 HydrophobicContact CD1-SD 3.35Å; L32-M106 WeakPolarHBondContact CD1-SD 3.39Å; L32-M106 HydrophobicContact CD2-CE 3.18Å; L32-M106 HydrophobicContact CD2-SD 4.44Å; L32-M106 HydrophobicContact CG-CE 3.74Å; L32-M106 HydrophobicContact CG-SD 4.47Å; I78-M106 HydrophobicContact CG2-CE 3.34Å; L80-M106 HydrophobicContact CD2-CB 4.19Å; L80-M106 HydrophobicContact CD2-CE 3.74Å; L80-M106 HydrophobicContact CD2-CG 3.82Å; L80-M106 HydrophobicContact CD2-SD 3.91Å; V103-M106 HydrophobicContact CG1-CB 4.27Å; M106-I108 HydrophobicContact CE-CD1 4.35Å; M106-I108 HydrophobicContact CE-CG1 4.09Å; M106-I108 HydrophobicContact CG-CG1 4.46Å; M106-L153 HydrophobicContact CB-CD1 3.99Å; M106-I155 PolarHBondContact N-O 3.1Å; M106-T156 HydrophobicContact CB-CG2 4.28Å; M106-N157 PolarHBondContact O-N 3.24Å
107	Q	45	Very low	40.1	Very low	14 Å²	14	63 Å²	63	7%	0.065	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	126.7	172.4	-73.1	-178.4	-21.8	0	0	109.8	I79 N157	I79-Q107 HydrophobicContact CB-CB 4.36Å; I79-Q107 PolarHBondContact N-O 2.98Å; I79-Q107 PolarHBondContact O-N 3.21Å; Q107-N157 WeakPolarHBondContact CA-O 3.18Å
108	I	45.2	Very low	40.5	Very low	27 Å²	27	60.7 Å²	60.7	14%	0.138	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.6	174.6	-53.9	170.8	0	0	0	107	L32 M106 V110 N157 V158 T159	L32-I108 HydrophobicContact CD1-CD1 4.24Å; L32-I108 HydrophobicContact CD2-CD1 3.58Å; L32-I108 HydrophobicContact CD2-CG1 4.08Å; L32-I108 HydrophobicContact CG-CD1 4.06Å; M106-I108 HydrophobicContact CE-CD1 4.35Å; M106-I108 HydrophobicContact CE-CG1 4.09Å; M106-I108 HydrophobicContact CG-CG1 4.46Å; I108-V110 HydrophobicContact CG2-CG2 4.21Å; I108-N157 PolarHBondContact N-O 3.02Å; I108-N157 VanDerWaalsContact N-O 3.09Å; I108-V158 HydrophobicContact CB-CG2 4.42Å; I108-V158 HydrophobicContact CD1-CG2 4.2Å; I108-T159 PolarHBondContact O-N 3.11Å
109	I	46.2	Very low	40.8	Very low	9 Å²	9	57.8 Å²	57.8	5%	0.046	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	125	179.4	-60.2	174.1	0	0	0	108	G76 C77 W111 W125	G76-I109 CarbonylContact C-O 3.55Å; G76-I109 WeakPolarHBondContact CA-O 3.26Å; C77-I109 PolarHBondContact N-O 3.11Å; C77-I109 PolarHBondContact O-N 2.96Å; I109-W111 HydrophobicContact CG2-CD2 4.28Å; I109-W111 HydrophobicContact CG2-CE3 4.05Å; I109-W111 HydrophobicContact CG2-CH2 4.43Å; I109-W111 HydrophobicContact CG2-CZ3 4.14Å; I109-W125 HydrophobicContact CD1-CH2 3.01Å; I109-W125 HydrophobicContact CD1-CZ2 2.92Å; I109-W125 HydrophobicContact CD1-CZ3 4.06Å; I109-W125 HydrophobicContact CG1-CH2 4.43Å; I109-W125 HydrophobicContact CG1-CZ2 4.41Å
110	V	42.8	Very low	40.8	Very low	14 Å²	14	60 Å²	60	9%	0.085	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.7	179.8	-175.1	0	0	0	0	107.4	L39 T74 I108 T159 F160 C161	L39-V110 HydrophobicContact CD1-CG2 4.42Å; T74-V110 HydrophobicContact CG2-CG1 3.56Å; I108-V110 HydrophobicContact CG2-CG2 4.21Å; V110-T159 PolarHBondContact N-O 2.9Å; V110-F160 HydrophobicContact CB-CD1 4.34Å; V110-F160 HydrophobicContact CB-CE1 4.45Å; V110-C161 PolarHBondContact O-N 2.8Å
111	W	47.7	Very low	40.9	Very low	24 Å²	24	56.8 Å²	56.8	9%	0.091	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.8	179.8	21.1	50.7	0	0	0	109	T74 T75 C77 I109 F122 W125 L165	T74-W111 WeakPolarHBondContact CA-O 3.17Å; T74-W111 WeakPolarHBondContact CG2-O 2.96Å; T75-W111 PolarHBondContact N-O 3.46Å; T75-W111 PolarHBondContact O-N 3.08Å; T75-W111 PolarHBondContact O-NE1 2.74Å; T75-W111 VanDerWaalsContact O-O 3.14Å; C77-W111 HydrophobicContact CB-CH2 4.45Å; C77-W111 HydrophobicContact CB-CZ2 3.83Å; I109-W111 HydrophobicContact CG2-CD2 4.28Å; I109-W111 HydrophobicContact CG2-CE3 4.05Å; I109-W111 HydrophobicContact CG2-CH2 4.43Å; I109-W111 HydrophobicContact CG2-CZ3 4.14Å; W111-F122 AromaticContact CH2-CD2 3.35Å; W111-F122 HydrophobicContact CH2-CD2 3.35Å; W111-F122 AromaticContact CH2-CE2 3.67Å; W111-F122 HydrophobicContact CH2-CE2 3.67Å; W111-F122 AromaticContact CZ2-CD2 3.63Å; W111-F122 HydrophobicContact CZ2-CD2 3.63Å; W111-F122 AromaticContact CZ2-CE2 3.81Å; W111-F122 HydrophobicContact CZ2-CE2 3.81Å; W111-F122 HydrophobicContact CZ3-CD2 4.46Å; W111-W125 HydrophobicContact CH2-CE3 4.31Å; W111-L165 HydrophobicContact CE3-CD1 3.59Å; W111-L165 HydrophobicContact CZ3-CD1 3.54Å
112	T	38.3	Very low	41.1	Very low	55 Å²	55	55.7 Å²	55.7	34%	0.337	28%	0.28	S	S	.	.			trans	-101	20.3	-174.1	50.3	0	0	0	0	112.8	T43 T74	T43-T112 HydrophobicContact CG2-CG2 4.38Å; T74-T112 HydrophobicContact CG2-CG2 4.09Å
113	Q	37.9	Very low	41.5	Very low	80 Å²	80	57.2 Å²	57.2	37%	0.374	29%	0.285	S	S	.	.	S	Bend	trans	-123.1	143.6	-175.9	-70.3	-170.9	-6.7	0	0	113.8	Y115 T162	Q113-Y115 HydrophobicContact CB-CE2 4.44Å; Q113-Y115 PolarHBondContact O-N 3.5Å; Q113-T162 PolarHBondContact NE2-O 3.3Å
114	K	38.9	Very low	41.5	Very low	112 Å²	112	60.7 Å²	60.7	49%	0.487	30%	0.303	S	S	.	.			trans	-68.8	86.2	-178.6	-168.2	-175.6	-179.1	-167.7	0	111.1	T70 I116	T70-K114 VanDerWaalsContact CB-NZ 3.32Å; T70-K114 WeakPolarHBondContact OG1-CE 3.22Å; T70-K114 PolarHBondContact OG1-NZ 3.34Å; K114-I116 PolarHBondContact O-N 3.41Å
115	Y	37.9	Very low	41.9	Very low	66 Å²	66	58.8 Å²	58.8	26%	0.259	29%	0.291	S	S	.	.			trans	-80.7	114.4	165.6	-76.4	-80.6	0	0	0	109.9	Q113 K117 L121 N164 L165	Q113-Y115 HydrophobicContact CB-CE2 4.44Å; Q113-Y115 PolarHBondContact O-N 3.5Å; Y115-K117 PolarHBondContact O-N 3.03Å; Y115-L121 HydrophobicContact CD1-CD2 4.11Å; Y115-L121 HydrophobicContact CE1-CB 4.47Å; Y115-L121 HydrophobicContact CE1-CD1 3.9Å; Y115-L121 HydrophobicContact CE1-CD2 3.38Å; Y115-L121 HydrophobicContact CE1-CG 4.12Å; Y115-L121 HydrophobicContact CE2-CD2 4.07Å; Y115-L121 WeakPolarHBondContact OH-CD2 3.13Å; Y115-N164 PolarHBondContact OH-OD1 2.93Å; Y115-L165 PolarHBondContact OH-N 2.93Å
116	I	36	Very low	42.2	Very low	148 Å²	148	57.1 Å²	57.1	76%	0.759	28%	0.284	S	S	*	.	S	Bend	trans	-67.1	-10.6	175	-67.1	170	0	0	0	111.4	K114	K114-I116 PolarHBondContact O-N 3.41Å
117	K	38.5	Very low	42.3	Very low	128 Å²	128	61.4 Å²	61.4	56%	0.557	30%	0.304	S	S	*	.			trans	-147.8	100.3	170	-68.6	-174.7	179.6	-179.9	0	109.9	Y115 D119	Y115-K117 PolarHBondContact O-N 3.03Å; K117-D119 PolarHBondContact O-N 3.11Å
118	P	39.3	Very low	42.2	Very low	76 Å²	76	62.8 Å²	62.8	49%	0.494	31%	0.313	S	S	.	.	H	α-helix	trans	-65.2	-27.2	177.8	23	-30.5	0	0	0	112.5	F122	P118-F122 WeakPolarHBondContact O-CB 3.11Å; P118-F122 PolarHBondContact O-N 3.03Å; P118-F122 VanDerWaalsContact O-N 3.15Å
119	D	43.6	Very low	42.2	Very low	83 Å²	83	61.7 Å²	61.7	44%	0.444	31%	0.308	S	S	.	.	H	α-helix	trans	-71	-44	-167.8	-63.4	-23	0	0	0	114.7	K117 M123 H336	K117-D119 PolarHBondContact O-N 3.11Å; D119-M123 WeakPolarHBondContact O-CB 3.14Å; D119-M123 WeakPolarHBondContact O-CG 3.48Å; D119-M123 PolarHBondContact O-N 3Å; D119-H336 IonicContact OD2-CE1 2.7Å
120	D	38.4	Very low	42.1	Very low	96 Å²	96	63.1 Å²	63.1	51%	0.513	32%	0.316	S	S	.	.	H	α-helix	trans	-71.3	-44.4	-172.8	-65.4	-31	0	0	0	111.6	M123 D124	D120-M123 PolarHBondContact O-N 2.79Å; D120-D124 PolarHBondContact O-N 2.87Å
121	L	39.2	Very low	42	Very low	41 Å²	41	69 Å²	69	22%	0.215	34%	0.337	C	S	.	.	H	α-helix	trans	-73.9	-36	-178.7	-146.8	103	0	0	0	112.1	Y115 M123 W125 L165	Y115-L121 HydrophobicContact CD1-CD2 4.11Å; Y115-L121 HydrophobicContact CE1-CB 4.47Å; Y115-L121 HydrophobicContact CE1-CD1 3.9Å; Y115-L121 HydrophobicContact CE1-CD2 3.38Å; Y115-L121 HydrophobicContact CE1-CG 4.12Å; Y115-L121 HydrophobicContact CE2-CD2 4.07Å; Y115-L121 WeakPolarHBondContact OH-CD2 3.13Å; L121-M123 VanDerWaalsContact C-N 3.32Å; L121-W125 WeakPolarHBondContact O-CB 3.26Å; L121-W125 PolarHBondContact O-N 3.31Å; L121-L165 HydrophobicContact CD2-CB 3.55Å; L121-L165 HydrophobicContact CD2-CD1 3.86Å; L121-L165 HydrophobicContact CD2-CG 4.36Å
122	F	45.1	Very low	41.6	Very low	29 Å²	29	70 Å²	70	13%	0.127	34%	0.342	C	S	.	.	H	α-helix	trans	-63.8	-40.3	173.8	-175.2	-89.8	0	0	0	111.3	C77 W111 P118 W125 F126 V311 V313	C77-F122 HydrophobicContact CB-CE2 3.61Å; C77-F122 HydrophobicContact CB-CZ 4.22Å; W111-F122 AromaticContact CH2-CD2 3.35Å; W111-F122 HydrophobicContact CH2-CD2 3.35Å; W111-F122 AromaticContact CH2-CE2 3.67Å; W111-F122 HydrophobicContact CH2-CE2 3.67Å; W111-F122 AromaticContact CZ2-CD2 3.63Å; W111-F122 HydrophobicContact CZ2-CD2 3.63Å; W111-F122 AromaticContact CZ2-CE2 3.81Å; W111-F122 HydrophobicContact CZ2-CE2 3.81Å; W111-F122 HydrophobicContact CZ3-CD2 4.46Å; P118-F122 WeakPolarHBondContact O-CB 3.11Å; P118-F122 PolarHBondContact O-N 3.03Å; P118-F122 VanDerWaalsContact O-N 3.15Å; F122-W125 HydrophobicContact CE2-CZ3 4.39Å; F122-F126 HydrophobicContact CE1-CB 4.47Å; F122-F126 WeakPolarHBondContact O-CB 3.43Å; F122-F126 PolarHBondContact O-N 3.06Å; F122-V311 HydrophobicContact CE1-CG1 3.93Å; F122-V311 HydrophobicContact CZ-CG1 3.59Å; F122-V313 HydrophobicContact CE1-CG2 4.41Å; F122-V313 HydrophobicContact CZ-CG2 4.38Å
123	M	45.8	Very low	41.6	Very low	54 Å²	54	69.2 Å²	69.2	27%	0.266	34%	0.336	S	S	.	.	H	α-helix	trans	-72.9	-41.1	-178.6	-69.4	-70.3	-81.1	0	0	112.2	D119 D120 L121 W125 F126 E127	D119-M123 WeakPolarHBondContact O-CB 3.14Å; D119-M123 WeakPolarHBondContact O-CG 3.48Å; D119-M123 PolarHBondContact O-N 3Å; D120-M123 PolarHBondContact O-N 2.79Å; L121-M123 VanDerWaalsContact C-N 3.32Å; M123-W125 VanDerWaalsContact C-N 3.35Å; M123-F126 PolarHBondContact O-N 2.86Å; M123-E127 WeakPolarHBondContact O-CB 3.33Å; M123-E127 PolarHBondContact O-N 3.18Å
124	D	44.1	Very low	41.6	Very low	96 Å²	96	70.2 Å²	70.2	51%	0.513	34%	0.336	S	S	.	.	H	α-helix	trans	-63.2	-43	173.5	-78.4	-11.9	0	0	0	111.2	D120 E127 T128 M169	D120-D124 PolarHBondContact O-N 2.87Å; D124-E127 PolarHBondContact O-N 3.27Å; D124-T128 WeakPolarHBondContact O-CB 3.42Å; D124-T128 PolarHBondContact O-N 3.27Å; D124-T128 PolarHBondContact O-OG1 3.46Å; D124-M169 HydrophobicContact CB-CE 4.46Å
125	W	47.5	Very low	41.5	Very low	26 Å²	26	71.8 Å²	71.8	10%	0.098	34%	0.34	C	S	.	.	H	α-helix	trans	-66.2	-43	175.6	176.4	78.3	0	0	0	112	I79 I109 W111 L121 F122 M123 E127 T128 V129 L165	I79-W125 HydrophobicContact CD1-CH2 3.36Å; I79-W125 HydrophobicContact CD1-CZ3 3.58Å; I79-W125 HydrophobicContact CG1-CH2 4.42Å; I109-W125 HydrophobicContact CD1-CH2 3.01Å; I109-W125 HydrophobicContact CD1-CZ2 2.92Å; I109-W125 HydrophobicContact CD1-CZ3 4.06Å; I109-W125 HydrophobicContact CG1-CH2 4.43Å; I109-W125 HydrophobicContact CG1-CZ2 4.41Å; W111-W125 HydrophobicContact CH2-CE3 4.31Å; L121-W125 WeakPolarHBondContact O-CB 3.26Å; L121-W125 PolarHBondContact O-N 3.31Å; F122-W125 HydrophobicContact CE2-CZ3 4.39Å; M123-W125 VanDerWaalsContact C-N 3.35Å; W125-E127 PolarHBondContact O-N 2.77Å; W125-T128 PolarHBondContact O-N 2.75Å; W125-V129 HydrophobicContact CD2-CG2 4.16Å; W125-V129 VanDerWaalsContact CE2-CG2 3.49Å; W125-V129 HydrophobicContact CH2-CG2 4.17Å; W125-V129 HydrophobicContact CZ2-CB 4.39Å; W125-V129 HydrophobicContact CZ2-CG2 3.46Å; W125-V129 VanDerWaalsContact CZ2-CG2 3.46Å; W125-V129 WeakPolarHBondContact O-CG2 3.31Å; W125-V129 PolarHBondContact O-N 3.04Å; W125-L165 HydrophobicContact CG-CD1 4.29Å; W125-L165 HydrophobicContact CG-CD2 4.14Å
126	F	45.9	Very low	41.4	Very low	19 Å²	19	73.8 Å²	73.8	8%	0.083	36%	0.356	C	S	.	.	H	α-helix	trans	-63.3	-40.8	176.6	179.1	-112.8	0	0	0	112.1	F122 M123 T128 N130 V311	F122-F126 HydrophobicContact CE1-CB 4.47Å; F122-F126 WeakPolarHBondContact O-CB 3.43Å; F122-F126 PolarHBondContact O-N 3.06Å; M123-F126 PolarHBondContact O-N 2.86Å; F126-T128 VanDerWaalsContact C-N 3.33Å; F126-N130 WeakPolarHBondContact CD1-ND2 2.95Å; F126-N130 WeakPolarHBondContact CE1-ND2 2.77Å; F126-N130 WeakPolarHBondContact CE2-ND2 3.27Å; F126-N130 WeakPolarHBondContact CZ-ND2 3.44Å; F126-N130 VanDerWaalsContact O-CB 3.3Å; F126-N130 WeakPolarHBondContact O-CB 3.42Å; F126-N130 PolarHBondContact O-N 3.46Å; F126-N130 PolarHBondContact O-ND2 2.82Å; F126-N130 VanDerWaalsContact O-ND2 3.08Å; F126-V311 HydrophobicContact CD2-CG2 3.6Å; F126-V311 HydrophobicContact CE1-CG2 4.37Å; F126-V311 HydrophobicContact CE2-CB 4.41Å; F126-V311 HydrophobicContact CE2-CG2 2.94Å; F126-V311 HydrophobicContact CZ-CG2 3.37Å
127	E	44.5	Very low	41.5	Very low	93 Å²	93	72.8 Å²	72.8	44%	0.435	35%	0.346	S	S	.	.	H	α-helix	trans	-65.4	-40	174.9	-168.2	173.4	160.4	0	0	111.1	M123 D124 W125 R131	M123-E127 WeakPolarHBondContact O-CB 3.33Å; M123-E127 PolarHBondContact O-N 3.18Å; D124-E127 PolarHBondContact O-N 3.27Å; W125-E127 PolarHBondContact O-N 2.77Å; E127-R131 WeakPolarHBondContact O-CB 3.37Å; E127-R131 VanDerWaalsContact O-CG 3.29Å; E127-R131 WeakPolarHBondContact O-CG 3.19Å; E127-R131 PolarHBondContact O-N 3.23Å; E127-R131 IonicContact OE1-CZ 3.32Å; E127-R131 IonicContact OE1-NE 3.53Å; E127-R131 PolarHBondContact OE1-NE 3.49Å; E127-R131 IonicContact OE1-NH2 3.01Å; E127-R131 PolarHBondContact OE1-NH2 3.03Å
128	T	44.1	Very low	41.5	Very low	42 Å²	42	72.5 Å²	72.5	26%	0.258	35%	0.345	S	S	.	.	H	α-helix	trans	-64.8	-47.7	177.9	-56.1	0	0	0	0	111.8	D124 W125 F126 R131 Q132 M169	D124-T128 WeakPolarHBondContact O-CB 3.42Å; D124-T128 PolarHBondContact O-N 3.27Å; D124-T128 PolarHBondContact O-OG1 3.46Å; W125-T128 PolarHBondContact O-N 2.75Å; F126-T128 VanDerWaalsContact C-N 3.33Å; T128-R131 WeakPolarHBondContact O-CB 3.49Å; T128-R131 PolarHBondContact O-N 3.44Å; T128-Q132 PolarHBondContact O-N 2.92Å; T128-M169 HydrophobicContact CG2-CE 4.32Å; T128-M169 WeakPolarHBondContact OG1-CE 3.48Å
129	V	43.9	Very low	41.2	Very low	5 Å²	5	71.7 Å²	71.7	3%	0.03	35%	0.35	C	S	.	.	H	α-helix	trans	-65.2	-42.9	177.5	171.2	0	0	0	0	111.5	W125 R131 Q132 I133	W125-V129 HydrophobicContact CD2-CG2 4.16Å; W125-V129 VanDerWaalsContact CE2-CG2 3.49Å; W125-V129 HydrophobicContact CH2-CG2 4.17Å; W125-V129 HydrophobicContact CZ2-CB 4.39Å; W125-V129 HydrophobicContact CZ2-CG2 3.46Å; W125-V129 VanDerWaalsContact CZ2-CG2 3.46Å; W125-V129 WeakPolarHBondContact O-CG2 3.31Å; W125-V129 PolarHBondContact O-N 3.04Å; V129-R131 VanDerWaalsContact C-N 3.32Å; V129-R131 PolarHBondContact O-N 2.85Å; V129-Q132 PolarHBondContact O-N 3.21Å; V129-I133 HydrophobicContact CG1-CD1 3.78Å; V129-I133 HydrophobicContact CG1-CG1 4.38Å; V129-I133 VanDerWaalsContact O-CG1 3.26Å; V129-I133 WeakPolarHBondContact O-CG1 3.22Å; V129-I133 PolarHBondContact O-N 3.34Å
130	N	44	Very low	40.5	Very low	39 Å²	39	77.2 Å²	77.2	21%	0.209	37%	0.366	C	S	.	.	H	α-helix	trans	-63.3	-37.8	174.5	-80	-38.8	0	0	0	112.6	F126 Y134	F126-N130 WeakPolarHBondContact CD1-ND2 2.95Å; F126-N130 WeakPolarHBondContact CE1-ND2 2.77Å; F126-N130 WeakPolarHBondContact CE2-ND2 3.27Å; F126-N130 WeakPolarHBondContact CZ-ND2 3.44Å; F126-N130 VanDerWaalsContact O-CB 3.3Å; F126-N130 WeakPolarHBondContact O-CB 3.42Å; F126-N130 PolarHBondContact O-N 3.46Å; F126-N130 PolarHBondContact O-ND2 2.82Å; F126-N130 VanDerWaalsContact O-ND2 3.08Å; N130-Y134 VanDerWaalsContact O-CB 3.31Å; N130-Y134 WeakPolarHBondContact O-CB 3.39Å; N130-Y134 PolarHBondContact O-N 2.79Å
131	R	41.4	Very low	40.2	Very low	138 Å²	138	80.1 Å²	80.1	52%	0.521	38%	0.376	S	S	.	.	H	α-helix	trans	-62.5	-47.2	173.6	-80.8	-179.6	-174.6	-146.5	8.5	110.8	E127 T128 V129 I133 Y134 Y135	E127-R131 WeakPolarHBondContact O-CB 3.37Å; E127-R131 VanDerWaalsContact O-CG 3.29Å; E127-R131 WeakPolarHBondContact O-CG 3.19Å; E127-R131 PolarHBondContact O-N 3.23Å; E127-R131 IonicContact OE1-CZ 3.32Å; E127-R131 IonicContact OE1-NE 3.53Å; E127-R131 PolarHBondContact OE1-NE 3.49Å; E127-R131 IonicContact OE1-NH2 3.01Å; E127-R131 PolarHBondContact OE1-NH2 3.03Å; T128-R131 WeakPolarHBondContact O-CB 3.49Å; T128-R131 PolarHBondContact O-N 3.44Å; V129-R131 VanDerWaalsContact C-N 3.32Å; V129-R131 PolarHBondContact O-N 2.85Å; R131-I133 PolarHBondContact O-N 2.97Å; R131-Y134 CarbonylContact O-C 3.5Å; R131-Y134 WeakPolarHBondContact O-CB 3.44Å; R131-Y134 PolarHBondContact O-N 3.13Å; R131-Y134 VanDerWaalsContact O-N 3.15Å; R131-Y135 HydrophobicContact CB-CD2 4.34Å; R131-Y135 HydrophobicContact CB-CE2 4.28Å; R131-Y135 WeakPolarHBondContact O-CD2 3.28Å; R131-Y135 PolarHBondContact O-N 3.02Å
132	Q	38.6	Very low	39.9	Very low	45 Å²	45	88 Å²	88	21%	0.21	41%	0.408	C	S	.	.	H	α-helix	trans	-63	-41.1	177.6	-92.9	167.6	-37.8	0	0	113	T128 V129 Y134 Y135 N136 F177	T128-Q132 PolarHBondContact O-N 2.92Å; V129-Q132 PolarHBondContact O-N 3.21Å; Q132-Y134 VanDerWaalsContact C-N 3.28Å; Q132-Y134 PolarHBondContact O-N 3.1Å; Q132-Y135 PolarHBondContact O-N 3.39Å; Q132-N136 WeakPolarHBondContact O-CB 2.97Å; Q132-N136 PolarHBondContact O-N 3.15Å; Q132-F177 HydrophobicContact CB-CE2 4.39Å; Q132-F177 HydrophobicContact CG-CD2 4.49Å
133	I	40	Very low	39.2	Very low	38 Å²	38	95.2 Å²	95.2	20%	0.195	44%	0.44	C	S	.	.	H	α-helix	trans	-59.7	-41.9	172.9	-67.6	166.2	0	0	0	110.6	V129 R131 K137	V129-I133 HydrophobicContact CG1-CD1 3.78Å; V129-I133 HydrophobicContact CG1-CG1 4.38Å; V129-I133 VanDerWaalsContact O-CG1 3.26Å; V129-I133 WeakPolarHBondContact O-CG1 3.22Å; V129-I133 PolarHBondContact O-N 3.34Å; R131-I133 PolarHBondContact O-N 2.97Å; I133-K137 PolarHBondContact O-N 3.44Å; I133-K137 VanDerWaalsContact O-N 3.1Å
134	Y	36.5	Very low	38.3	Very low	100 Å²	100	101 Å²	101	39%	0.392	47%	0.466	S	S	.	.	H	α-helix	trans	-67	-39.9	177.1	179.6	-103.5	0	0	0	113	N130 R131 Q132 K137 K138	N130-Y134 VanDerWaalsContact O-CB 3.31Å; N130-Y134 WeakPolarHBondContact O-CB 3.39Å; N130-Y134 PolarHBondContact O-N 2.79Å; R131-Y134 CarbonylContact O-C 3.5Å; R131-Y134 WeakPolarHBondContact O-CB 3.44Å; R131-Y134 PolarHBondContact O-N 3.13Å; R131-Y134 VanDerWaalsContact O-N 3.15Å; Q132-Y134 VanDerWaalsContact C-N 3.28Å; Q132-Y134 PolarHBondContact O-N 3.1Å; Y134-K137 PolarHBondContact O-N 2.89Å; Y134-K138 HydrophobicContact CE1-CD 4.12Å; Y134-K138 VanDerWaalsContact CZ-CE 3.44Å; Y134-K138 PolarHBondContact O-N 3.42Å; Y134-K138 VanDerWaalsContact OH-CE 3.25Å; Y134-K138 WeakPolarHBondContact OH-CE 3.37Å; Y134-K138 PolarHBondContact OH-NZ 3.22Å
135	Y	37.6	Very low	37.5	Very low	146 Å²	146	105.1 Å²	105.1	57%	0.573	48%	0.482	S	S	*	.	H	α-helix	trans	-68.5	-41	176.2	-78.6	-69.3	0	0	0	112.1	R131 Q132 K137 K138 G139	R131-Y135 HydrophobicContact CB-CD2 4.34Å; R131-Y135 HydrophobicContact CB-CE2 4.28Å; R131-Y135 WeakPolarHBondContact O-CD2 3.28Å; R131-Y135 PolarHBondContact O-N 3.02Å; Q132-Y135 PolarHBondContact O-N 3.39Å; Y135-K137 VanDerWaalsContact C-N 3.31Å; Y135-K137 PolarHBondContact O-N 3.35Å; Y135-K138 PolarHBondContact O-N 3.18Å; Y135-K138 VanDerWaalsContact O-N 3.07Å; Y135-G139 PolarHBondContact O-N 3.38Å
136	N	35.2	Very low	36.6	Very low	108 Å²	108	109.2 Å²	109.2	58%	0.578	51%	0.514	S	S	*	.	H	α-helix	trans	-60.9	-39.1	173.4	-83.6	-6.3	0	0	0	111.9	Q132 K138 G139 Y140	Q132-N136 WeakPolarHBondContact O-CB 2.97Å; Q132-N136 PolarHBondContact O-N 3.15Å; N136-K138 VanDerWaalsContact C-N 3.31Å; N136-K138 PolarHBondContact O-N 3.24Å; N136-G139 PolarHBondContact O-N 3.08Å; N136-G139 VanDerWaalsContact O-N 3.11Å; N136-Y140 WeakPolarHBondContact O-CD2 3.18Å; N136-Y140 PolarHBondContact O-N 3.1Å
137	K	39.2	Very low	36	Very low	126 Å²	126	114.5 Å²	114.5	55%	0.548	54%	0.542	S	S	.	.	H	α-helix	trans	-66.1	-27.2	173.9	-88.6	179.5	-179.8	163.9	0	113.9	E81 I133 Y134 Y135 G139 Y140	E81-K137 IonicContact OE1-NZ 3.48Å; E81-K137 PolarHBondContact OE1-NZ 3.45Å; I133-K137 PolarHBondContact O-N 3.44Å; I133-K137 VanDerWaalsContact O-N 3.1Å; Y134-K137 PolarHBondContact O-N 2.89Å; Y135-K137 VanDerWaalsContact C-N 3.31Å; Y135-K137 PolarHBondContact O-N 3.35Å; K137-G139 VanDerWaalsContact C-N 3.34Å; K137-Y140 PolarHBondContact O-N 3.3Å
138	K	38.3	Very low	35.2	Very low	123 Å²	123	113.2 Å²	113.2	54%	0.535	54%	0.544	S	S	.	.	H	α-helix	trans	-74.9	-23.4	171.7	-78.7	-174.5	172.7	-178.5	0	113.2	Y134 Y135 N136	Y134-K138 HydrophobicContact CE1-CD 4.12Å; Y134-K138 VanDerWaalsContact CZ-CE 3.44Å; Y134-K138 PolarHBondContact O-N 3.42Å; Y134-K138 VanDerWaalsContact OH-CE 3.25Å; Y134-K138 WeakPolarHBondContact OH-CE 3.37Å; Y134-K138 PolarHBondContact OH-NZ 3.22Å; Y135-K138 PolarHBondContact O-N 3.18Å; Y135-K138 VanDerWaalsContact O-N 3.07Å; N136-K138 VanDerWaalsContact C-N 3.31Å; N136-K138 PolarHBondContact O-N 3.24Å
139	G	33.2	Very low	34.7	Very low	58 Å²	58	120.9 Å²	120.9	60%	0.598	57%	0.569	S	S	*	*	H	α-helix	trans	-77	-17.6	170.5	0	0	0	0	0	114.2	Y135 N136 K137 H141	Y135-G139 PolarHBondContact O-N 3.38Å; N136-G139 PolarHBondContact O-N 3.08Å; N136-G139 VanDerWaalsContact O-N 3.11Å; K137-G139 VanDerWaalsContact C-N 3.34Å; G139-H141 PolarHBondContact O-N 3.49Å
140	Y	28.4	Very low	34.1	Very low	200 Å²	200	127.4 Å²	127.4	78%	0.784	60%	0.604	S	S	*	*			trans	-73.4	64.8	171.4	-91	-88.6	0	0	0	111.2	N136 K137 K142	N136-Y140 WeakPolarHBondContact O-CD2 3.18Å; N136-Y140 PolarHBondContact O-N 3.1Å; K137-Y140 PolarHBondContact O-N 3.3Å; Y140-K142 VanDerWaalsContact C-N 3.33Å; Y140-K142 PolarHBondContact O-N 2.93Å
141	H	32.1	Very low	33.4	Very low	157 Å²	157	131.3 Å²	131.3	73%	0.727	63%	0.625	S	S	*	*			trans	-65.3	94.3	161.9	-91	-80.1	0	0	0	109.2	G139 K143	G139-H141 PolarHBondContact O-N 3.49Å; H141-K143 PolarHBondContact O-N 2.82Å
142	K	32.8	Very low	33.1	Very low	205 Å²	205	131.6 Å²	131.6	89%	0.891	63%	0.632	S	S	*	*	S	Bend		42.7	39	127.7	-138.2	179.8	-171.1	-176.9	0	117	Y140	Y140-K142 VanDerWaalsContact C-N 3.33Å; Y140-K142 PolarHBondContact O-N 2.93Å
143	K	29.4	Very low	32.8	Very low	182 Å²	182	133.2 Å²	133.2	79%	0.791	64%	0.642	S	S	*	*			trans	-128	99.2	168.8	-80.4	-171.4	175.1	-176.8	0	108.9	H141 H145	H141-K143 PolarHBondContact O-N 2.82Å; K143-H145 PolarHBondContact O-N 2.85Å
144	E	26.9	Very low	32.4	Very low	175 Å²	175	135.5 Å²	135.5	82%	0.818	66%	0.661	S	S	*	*			trans	40.9	76.9	134.1	-61.9	175.3	165.4	0	0	116
145	H	28.9	Very low	32.3	Very low	183 Å²	183	134.5 Å²	134.5	85%	0.847	66%	0.661	S	S	*	*			trans	-150.2	114.1	137.9	-79	-46.6	0	0	0	107.3	K143 I147	K143-H145 PolarHBondContact O-N 2.85Å; H145-I147 PolarHBondContact O-N 3.19Å; H145-I147 VanDerWaalsContact O-N 3.11Å
146	S	28.1	Very low	32.3	Very low	111 Å²	111	131.6 Å²	131.6	78%	0.776	66%	0.659	S	S	*	*			trans	-36.5	115.9	163	45.7	0	0	0	0	109.8	S148	S146-S148 VanDerWaalsContact C-N 3.33Å; S146-S148 PolarHBondContact O-N 3.27Å
147	I	32	Very low	32.4	Very low	130 Å²	130	128.8 Å²	128.8	67%	0.667	64%	0.644	S	S	*	*			trans	-58.5	107	163.3	-64	169.9	0	0	0	104.5	H145 Y149	H145-I147 PolarHBondContact O-N 3.19Å; H145-I147 VanDerWaalsContact O-N 3.11Å; I147-Y149 VanDerWaalsContact O-CD2 3.28Å; I147-Y149 WeakPolarHBondContact O-CD2 3.35Å; I147-Y149 PolarHBondContact O-N 2.7Å
148	S	28.6	Very low	32.2	Very low	67 Å²	67	126.4 Å²	126.4	47%	0.469	64%	0.64	S	S	.	*			trans	-58.9	110.6	172.1	174.7	0	0	0	0	106.8	S146 D150	S146-S148 VanDerWaalsContact C-N 3.33Å; S146-S148 PolarHBondContact O-N 3.27Å; S148-D150 PolarHBondContact O-N 3.31Å; S148-D150 VanDerWaalsContact O-N 3.1Å
149	Y	34	Very low	32.2	Very low	203 Å²	203	122.3 Å²	122.3	80%	0.796	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-3.7	179.1	-73.4	-86.3	0	0	0	112.8	I147	I147-Y149 VanDerWaalsContact O-CD2 3.28Å; I147-Y149 WeakPolarHBondContact O-CD2 3.35Å; I147-Y149 PolarHBondContact O-N 2.7Å
150	D	31.3	Very low	32.3	Very low	142 Å²	142	125.9 Å²	125.9	76%	0.759	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-6.9	-170.8	-68.7	-27.2	0	0	0	114.8	S148	S148-D150 PolarHBondContact O-N 3.31Å; S148-D150 VanDerWaalsContact O-N 3.1Å
151	N	29.6	Very low	32.7	Very low	121 Å²	121	117.3 Å²	117.3	65%	0.647	59%	0.594	S	S	*	*			trans	-107.7	84.2	-179.8	-73.2	-5.4	0	0	0	111.5	L153	N151-L153 PolarHBondContact O-N 2.72Å
152	E	33.8	Very low	32.9	Very low	144 Å²	144	114.3 Å²	114.3	67%	0.673	59%	0.586	S	S	*	*	S	Bend	trans	-55.7	121.6	159.1	-78.8	-177.9	152.8	0	0	108.9	K85	K85-E152 IonicContact NZ-OE1 2.68Å; K85-E152 PolarHBondContact NZ-OE1 3.41Å
153	L	33.7	Very low	33.1	Very low	79 Å²	79	110.5 Å²	110.5	41%	0.414	57%	0.572	S	S	.	*			trans	66.5	86.5	-178.1	-160.8	74.8	0	0	0	114.8	V103 M106 N151 T156	V103-L153 HydrophobicContact CG1-CD1 4.01Å; M106-L153 HydrophobicContact CB-CD1 3.99Å; N151-L153 PolarHBondContact O-N 2.72Å; L153-T156 HydrophobicContact CD1-CG2 3.93Å; L153-T156 HydrophobicContact CD2-CG2 3.48Å; L153-T156 VanDerWaalsContact CD2-CG2 3.48Å; L153-T156 HydrophobicContact CG-CG2 3.84Å
154	S	31.6	Very low	33.7	Very low	86 Å²	86	106 Å²	106	60%	0.601	56%	0.556	S	S	*	*	S	Bend	trans	-81.4	-26.6	177.3	58.5	0	0	0	0	113.9	L104	L104-S154 PolarHBondContact O-OG 2.85Å
155	I	34	Very low	34.4	Very low	78 Å²	78	97.9 Å²	97.9	40%	0.4	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	120	-174.7	-55.3	176	0	0	0	110.9	M106 N157	M106-I155 PolarHBondContact N-O 3.1Å; I155-N157 WeakPolarHBondContact CG2-OD1 3.43Å
156	T	37.9	Very low	34.7	Very low	86 Å²	86	95.5 Å²	95.5	53%	0.528	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	112.9	164.2	44.5	0	0	0	0	109.7	M106 L153	M106-T156 HydrophobicContact CB-CG2 4.28Å; L153-T156 HydrophobicContact CD1-CG2 3.93Å; L153-T156 HydrophobicContact CD2-CG2 3.48Å; L153-T156 VanDerWaalsContact CD2-CG2 3.48Å; L153-T156 HydrophobicContact CG-CG2 3.84Å
157	N	36.4	Very low	35.2	Very low	48 Å²	48	92.7 Å²	92.7	26%	0.257	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.4	172.3	-74.6	8.2	0	0	0	109.7	M106 Q107 I108 I155	M106-N157 PolarHBondContact O-N 3.24Å; Q107-N157 WeakPolarHBondContact CA-O 3.18Å; I108-N157 PolarHBondContact N-O 3.02Å; I108-N157 VanDerWaalsContact N-O 3.09Å; I155-N157 WeakPolarHBondContact CG2-OD1 3.43Å
158	V	35	Very low	35.6	Very low	76 Å²	76	89.5 Å²	89.5	46%	0.461	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.7	169.6	-175.2	0	0	0	0	106.9	I108 F160	I108-V158 HydrophobicContact CB-CG2 4.42Å; I108-V158 HydrophobicContact CD1-CG2 4.2Å; V158-F160 HydrophobicContact CG1-CD2 4.21Å; V158-F160 HydrophobicContact CG1-CE2 3.6Å; V158-F160 HydrophobicContact CG1-CZ 3.88Å
159	T	39.3	Very low	36.1	Very low	37 Å²	37	89.6 Å²	89.6	23%	0.227	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	120.6	179.2	-48.1	0	0	0	0	109	I108 V110 L180	I108-T159 PolarHBondContact O-N 3.11Å; V110-T159 PolarHBondContact N-O 2.9Å; T159-L180 HydrophobicContact CG2-CD2 3.82Å
160	F	34	Very low	36.4	Very low	134 Å²	134	85.3 Å²	85.3	59%	0.588	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	119.5	172.7	-67.2	-85.6	0	0	0	108.3	V110 V158	V110-F160 HydrophobicContact CB-CD1 4.34Å; V110-F160 HydrophobicContact CB-CE1 4.45Å; V158-F160 HydrophobicContact CG1-CD2 4.21Å; V158-F160 HydrophobicContact CG1-CE2 3.6Å; V158-F160 HydrophobicContact CG1-CZ 3.88Å
161	C	38.1	Very low	36.8	Very low	19 Å²	19	84.3 Å²	84.3	13%	0.128	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	107.2	175.9	-63.8	0	0	0	0	108.8	V110	V110-C161 PolarHBondContact O-N 2.8Å
162	T	34.6	Very low	37.2	Very low	94 Å²	94	85.4 Å²	85.4	58%	0.577	45%	0.454	S	S	*	.			trans	-95.1	-7.7	175.4	50.3	0	0	0	0	112.9	Q113	Q113-T162 PolarHBondContact NE2-O 3.3Å
163	E	38.6	Very low	37.2	Very low	125 Å²	125	85.6 Å²	85.6	58%	0.584	46%	0.46	S	S	*	.	S	Bend	trans	-119.2	159.4	-174.9	-64.9	-174.2	179	0	0	111.9	L165	E163-L165 PolarHBondContact O-N 3.32Å; E163-L165 VanDerWaalsContact O-N 3.08Å
164	N	40.3	Very low	37.6	Very low	87 Å²	87	88.2 Å²	88.2	47%	0.465	47%	0.474	S	S	.	.			trans	-56	113.8	-176.8	-148.7	-17.8	0	0	0	108.8	Y115 K166 S167	Y115-N164 PolarHBondContact OH-OD1 2.93Å; N164-K166 PolarHBondContact O-N 3.46Å; N164-S167 PolarHBondContact O-N 2.81Å; N164-S167 PolarHBondContact O-OG 3.44Å
165	L	42	Very low	38	Very low	5 Å²	5	89.7 Å²	89.7	3%	0.026	47%	0.472	C	S	.	.	H	α-helix	trans	-52.6	-26.4	-174.9	-108.9	165.3	0	0	0	112.8	W111 Y115 L121 W125 E163 L168 M169	W111-L165 HydrophobicContact CE3-CD1 3.59Å; W111-L165 HydrophobicContact CZ3-CD1 3.54Å; Y115-L165 PolarHBondContact OH-N 2.93Å; L121-L165 HydrophobicContact CD2-CB 3.55Å; L121-L165 HydrophobicContact CD2-CD1 3.86Å; L121-L165 HydrophobicContact CD2-CG 4.36Å; W125-L165 HydrophobicContact CG-CD1 4.29Å; W125-L165 HydrophobicContact CG-CD2 4.14Å; E163-L165 PolarHBondContact O-N 3.32Å; E163-L165 VanDerWaalsContact O-N 3.08Å; L165-L168 WeakPolarHBondContact O-CB 3.48Å; L165-L168 PolarHBondContact O-N 2.96Å; L165-M169 WeakPolarHBondContact O-CG 3.49Å; L165-M169 PolarHBondContact O-N 3.3Å
166	K	34.7	Very low	38.2	Very low	133 Å²	133	87.9 Å²	87.9	58%	0.578	46%	0.462	S	S	*	.	H	α-helix	trans	-60.7	-38.2	172.7	-159	176.1	-177.3	177.5	0	113.6	N164 L168 M169 I170	N164-K166 PolarHBondContact O-N 3.46Å; K166-L168 VanDerWaalsContact C-N 3.35Å; K166-M169 PolarHBondContact O-N 2.84Å; K166-I170 HydrophobicContact CG-CD1 3.97Å; K166-I170 VanDerWaalsContact O-CD1 3.26Å; K166-I170 WeakPolarHBondContact O-CD1 3.36Å; K166-I170 WeakPolarHBondContact O-CG1 3.34Å; K166-I170 PolarHBondContact O-N 2.95Å
167	S	40.5	Very low	38.2	Very low	53 Å²	53	86.5 Å²	86.5	37%	0.371	45%	0.449	S	S	.	.	H	α-helix	trans	-68.5	-35.4	175.1	61	0	0	0	0	111.8	N164 M169 I170	N164-S167 PolarHBondContact O-N 2.81Å; N164-S167 PolarHBondContact O-OG 3.44Å; S167-M169 VanDerWaalsContact C-N 3.3Å; S167-M169 PolarHBondContact O-N 2.84Å; S167-I170 PolarHBondContact O-N 3.35Å
168	L	40.3	Very low	38.2	Very low	62 Å²	62	89 Å²	89	33%	0.325	46%	0.462	S	S	.	.	H	α-helix	trans	-66.7	-30.6	173	-115.8	98.5	0	0	0	112.9	L165 K166 I176	L165-L168 WeakPolarHBondContact O-CB 3.48Å; L165-L168 PolarHBondContact O-N 2.96Å; K166-L168 VanDerWaalsContact C-N 3.35Å; L168-I176 HydrophobicContact CD2-CG2 4.48Å; L168-I176 VanDerWaalsContact O-CD1 3.31Å; L168-I176 WeakPolarHBondContact O-CD1 3.46Å
169	M	38.6	Very low	38.4	Very low	70 Å²	70	92.2 Å²	92.2	35%	0.345	47%	0.472	S	S	.	.	H	α-helix	trans	-83.8	-16.7	179.7	-71.9	179.9	66	0	0	114.3	D124 T128 L165 K166 S167	D124-M169 HydrophobicContact CB-CE 4.46Å; T128-M169 HydrophobicContact CG2-CE 4.32Å; T128-M169 WeakPolarHBondContact OG1-CE 3.48Å; L165-M169 WeakPolarHBondContact O-CG 3.49Å; L165-M169 PolarHBondContact O-N 3.3Å; K166-M169 PolarHBondContact O-N 2.84Å; S167-M169 VanDerWaalsContact C-N 3.3Å; S167-M169 PolarHBondContact O-N 2.84Å
170	I	40.8	Very low	38.3	Very low	112 Å²	112	94 Å²	94	57%	0.574	48%	0.48	S	S	*	.	H	α-helix	trans	-86.3	-19.4	-176	-72.4	163.9	0	0	0	112.3	K166 S167 D172	K166-I170 HydrophobicContact CG-CD1 3.97Å; K166-I170 VanDerWaalsContact O-CD1 3.26Å; K166-I170 WeakPolarHBondContact O-CD1 3.36Å; K166-I170 WeakPolarHBondContact O-CG1 3.34Å; K166-I170 PolarHBondContact O-N 2.95Å; S167-I170 PolarHBondContact O-N 3.35Å; I170-D172 PolarHBondContact O-N 3.41Å
171	N	38.9	Very low	38.2	Very low	122 Å²	122	92.4 Å²	92.4	65%	0.652	48%	0.478	S	S	*	.	S	Bend	trans	-78.3	93	175.4	-80.1	-4	0	0	0	110.4
172	D	38.1	Very low	37.8	Very low	144 Å²	144	98.1 Å²	98.1	77%	0.77	51%	0.507	S	S	*	.			trans	16.5	114.3	159.4	-71.6	-34.3	0	0	0	117.3	I170 N174	I170-D172 PolarHBondContact O-N 3.41Å; D172-N174 PolarHBondContact O-N 2.89Å
173	D	33.9	Very low	37.5	Very low	147 Å²	147	102.6 Å²	102.6	79%	0.786	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-2	101.4	150.3	-66.4	-31.9	0	0	0	114.6
174	N	41.4	Very low	37	Very low	134 Å²	134	101.8 Å²	101.8	72%	0.717	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	133.8	-7.5	145.8	-62.1	-42.5	0	0	0	117.1	D172	D172-N174 PolarHBondContact O-N 2.89Å
175	H	40.1	Very low	36.7	Very low	118 Å²	118	104.2 Å²	104.2	55%	0.546	53%	0.526	S	S	.	.			trans	-126.8	-0.4	-174.8	-71.5	-56.8	0	0	0	118.4	F177 D178 E179	H175-F177 PolarHBondContact O-N 3Å; H175-D178 IonicContact ND1-OD2 3.64Å; H175-D178 PolarHBondContact O-N 3.29Å; H175-E179 PolarHBondContact O-N 3.09Å; H175-E179 VanDerWaalsContact O-N 3.13Å
176	I	38.6	Very low	36.1	Very low	39 Å²	39	109.9 Å²	109.9	20%	0.2	56%	0.557	C	S	.	*	H	α-helix	trans	-55	-29.6	-177.3	-60.5	169.3	0	0	0	113	L168 L180	L168-I176 HydrophobicContact CD2-CG2 4.48Å; L168-I176 VanDerWaalsContact O-CD1 3.31Å; L168-I176 WeakPolarHBondContact O-CD1 3.46Å; I176-L180 VanDerWaalsContact O-CD1 3.22Å; I176-L180 WeakPolarHBondContact O-CD1 3.2Å
177	F	38	Very low	35.8	Very low	58 Å²	58	111.5 Å²	111.5	25%	0.254	57%	0.566	S	S	.	*	H	α-helix	trans	-95.8	-20.1	179	-82.5	-79.1	0	0	0	115	Q132 H175 N181	Q132-F177 HydrophobicContact CB-CE2 4.39Å; Q132-F177 HydrophobicContact CG-CD2 4.49Å; H175-F177 PolarHBondContact O-N 3Å; F177-N181 VanDerWaalsContact O-CB 3.27Å; F177-N181 WeakPolarHBondContact O-CB 3.47Å; F177-N181 PolarHBondContact O-N 3.2Å; F177-N181 PolarHBondContact O-ND2 2.72Å
178	D	36.2	Very low	35.3	Very low	100 Å²	100	115.5 Å²	115.5	54%	0.535	58%	0.583	S	S	.	*	H	α-helix	trans	-80.3	-35.4	177.1	-74	-20.1	0	0	0	110.8	H175 N182	H175-D178 IonicContact ND1-OD2 3.64Å; H175-D178 PolarHBondContact O-N 3.29Å; D178-N182 WeakPolarHBondContact O-CB 3.2Å; D178-N182 PolarHBondContact O-N 2.83Å
179	E	38.4	Very low	34.7	Very low	143 Å²	143	122.1 Å²	122.1	67%	0.668	61%	0.61	S	S	*	*	H	α-helix	trans	-72.3	-35.8	175.9	-126.3	172	-174.7	0	0	111.9	H175 Y183	H175-E179 PolarHBondContact O-N 3.09Å; H175-E179 VanDerWaalsContact O-N 3.13Å; E179-Y183 WeakPolarHBondContact O-CD2 3.4Å
180	L	37.4	Very low	34.3	Very low	76 Å²	76	129.4 Å²	129.4	40%	0.398	64%	0.635	S	S	.	*	H	α-helix	trans	-77.1	-23.2	176.1	-96.2	98.5	0	0	0	114.6	T159 I176 N182	T159-L180 HydrophobicContact CG2-CD2 3.82Å; I176-L180 VanDerWaalsContact O-CD1 3.22Å; I176-L180 WeakPolarHBondContact O-CD1 3.2Å; L180-N182 VanDerWaalsContact C-N 3.32Å
181	N	32.4	Very low	33.8	Very low	100 Å²	100	128 Å²	128	54%	0.535	65%	0.648	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.6	-7.6	175.8	-76	-29.1	0	0	0	113.1	F177	F177-N181 VanDerWaalsContact O-CB 3.27Å; F177-N181 WeakPolarHBondContact O-CB 3.47Å; F177-N181 PolarHBondContact O-N 3.2Å; F177-N181 PolarHBondContact O-ND2 2.72Å
182	N	29.8	Very low	34	Very low	138 Å²	138	123.7 Å²	123.7	74%	0.738	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.5	22.3	-177.5	-117	0.4	0	0	0	113.1	D178 L180 D184	D178-N182 WeakPolarHBondContact O-CB 3.2Å; D178-N182 PolarHBondContact O-N 2.83Å; L180-N182 VanDerWaalsContact C-N 3.32Å; N182-D184 PolarHBondContact O-N 3.42Å
183	Y	29.1	Very low	34.3	Very low	189 Å²	189	120.1 Å²	120.1	74%	0.741	61%	0.613	S	S	*	*			trans	-66.3	78.3	162	-97	-83.8	0	0	0	109.1	E179 L185	E179-Y183 WeakPolarHBondContact O-CD2 3.4Å; Y183-L185 PolarHBondContact O-N 2.81Å
184	D	26.5	Very low	34.9	Very low	107 Å²	107	120.9 Å²	120.9	57%	0.572	61%	0.612	S	S	*	*			trans	-62.2	112.3	159.9	-158.2	-7.5	0	0	0	105.6	N182 N186	N182-D184 PolarHBondContact O-N 3.42Å; D184-N186 PolarHBondContact O-N 3.46Å; D184-N186 PolarHBondContact OD1-ND2 2.68Å
185	L	34.6	Very low	35.6	Very low	138 Å²	138	118.7 Å²	118.7	72%	0.723	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	11.3	-178	-89	143.4	0	0	0	114.1	Y183	Y183-L185 PolarHBondContact O-N 2.81Å
186	N	29.1	Very low	36.5	Very low	125 Å²	125	118.8 Å²	118.8	67%	0.668	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	-7.2	-167.1	-70.1	-41.6	0	0	0	114.7	D184	D184-N186 PolarHBondContact O-N 3.46Å; D184-N186 PolarHBondContact OD1-ND2 2.68Å
187	H	29.1	Very low	37.6	Very low	166 Å²	166	121.7 Å²	121.7	77%	0.769	62%	0.619	S	S	*	*	S	Bend	trans	-128.7	84.4	-179.8	-98.7	-75.8	0	0	0	111.6
188	D	29.2	Very low	39.1	Very low	137 Å²	137	124.3 Å²	124.3	73%	0.733	64%	0.635	S	S	*	*			trans	167.6	77.5	135.1	-82.6	-15	0	0	0	111.9	Y190	D188-Y190 PolarHBondContact O-N 2.76Å
189	K	29.2	Very low	41	Very low	202 Å²	202	123.6 Å²	123.6	88%	0.878	63%	0.63	S	S	*	*				27.8	52.6	120.4	-139.3	-179.1	-166.3	-179	0	119.6
190	Y	28.7	Very low	42.7	Very low	222 Å²	222	121.1 Å²	121.1	87%	0.871	63%	0.625	S	S	*	*			trans	-151.3	95.5	154.9	-92.3	-81.2	0	0	0	111.7	D188 G192	D188-Y190 PolarHBondContact O-N 2.76Å; Y190-G192 VanDerWaalsContact C-N 3.25Å; Y190-G192 PolarHBondContact O-N 3.27Å
191	G	31.9	Very low	44.6	Very low	83 Å²	83	122.5 Å²	122.5	86%	0.856	63%	0.632	S	S	*	*	S	Bend	trans	45.8	-8.8	147.6	0	0	0	0	0	124.1
192	G	41.4	Very low	46.8	Very low	32 Å²	32	120.8 Å²	120.8	33%	0.33	63%	0.625	S	S	.	*			trans	-109.7	-21.4	-172.4	0	0	0	0	0	114.9	Y190 E194 V195 Q196	Y190-G192 VanDerWaalsContact C-N 3.25Å; Y190-G192 PolarHBondContact O-N 3.27Å; G192-E194 VanDerWaalsContact C-N 3.32Å; G192-E194 PolarHBondContact O-N 3Å; G192-V195 PolarHBondContact O-N 3Å; G192-Q196 PolarHBondContact O-N 3.02Å
193	N	44.7	Very low	49.1	Very low	68 Å²	68	119.2 Å²	119.2	36%	0.364	62%	0.616	S	S	.	*	H	α-helix	trans	-67	-31.7	-179.4	-82	3.6	0	0	0	112.8	V195 Q196 I197	N193-V195 VanDerWaalsContact C-N 3.34Å; N193-V195 PolarHBondContact O-N 3.4Å; N193-Q196 PolarHBondContact O-N 2.73Å; N193-I197 VanDerWaalsContact O-CB 3.32Å; N193-I197 WeakPolarHBondContact O-CB 3.25Å; N193-I197 WeakPolarHBondContact O-CD1 3.25Å; N193-I197 WeakPolarHBondContact O-CG1 3.48Å; N193-I197 PolarHBondContact O-N 3.38Å
194	E	47.4	Very low	51.7	Low	163 Å²	163	113.5 Å²	113.5	76%	0.762	60%	0.603	S	S	*	*	H	α-helix	trans	-63.3	-43.1	174.4	-67.8	-171.6	173.9	0	0	111	G192 L198	G192-E194 VanDerWaalsContact C-N 3.32Å; G192-E194 PolarHBondContact O-N 3Å; E194-L198 WeakPolarHBondContact O-CB 3.44Å; E194-L198 PolarHBondContact O-N 2.88Å
195	V	56.9	Low	54.5	Low	88 Å²	88	110.9 Å²	110.9	53%	0.533	59%	0.593	S	S	.	*	H	α-helix	trans	-68.6	-40.4	178.5	-175.3	0	0	0	0	110.9	G192 N193 L198 I199	G192-V195 PolarHBondContact O-N 3Å; N193-V195 VanDerWaalsContact C-N 3.34Å; N193-V195 PolarHBondContact O-N 3.4Å; V195-L198 PolarHBondContact O-N 2.89Å; V195-I199 HydrophobicContact CG1-CD1 3.88Å; V195-I199 HydrophobicContact CG1-CG1 4.4Å; V195-I199 WeakPolarHBondContact O-CB 3.42Å; V195-I199 WeakPolarHBondContact O-CG1 3.47Å; V195-I199 PolarHBondContact O-N 3.49Å
196	Q	57.4	Low	57	Low	121 Å²	121	108.1 Å²	108.1	57%	0.565	58%	0.582	S	S	*	*	H	α-helix	trans	-66.1	-43.6	176.5	-76.7	-175.5	-6	0	0	112.6	G192 N193 L198 I199 V200	G192-Q196 PolarHBondContact O-N 3.02Å; N193-Q196 PolarHBondContact O-N 2.73Å; Q196-L198 VanDerWaalsContact C-N 3.29Å; Q196-L198 PolarHBondContact O-N 2.88Å; Q196-I199 PolarHBondContact O-N 3.09Å; Q196-V200 VanDerWaalsContact O-CG2 3.32Å; Q196-V200 WeakPolarHBondContact O-CG2 3.16Å; Q196-V200 PolarHBondContact O-N 3.24Å
197	I	63.1	Low	59.7	Low	99 Å²	99	107.5 Å²	107.5	51%	0.508	58%	0.578	S	S	.	*	H	α-helix	trans	-62.2	-40.4	175	-69.5	165.8	0	0	0	110	N193 V200 I201	N193-I197 VanDerWaalsContact O-CB 3.32Å; N193-I197 WeakPolarHBondContact O-CB 3.25Å; N193-I197 WeakPolarHBondContact O-CD1 3.25Å; N193-I197 WeakPolarHBondContact O-CG1 3.48Å; N193-I197 PolarHBondContact O-N 3.38Å; I197-V200 PolarHBondContact O-N 3.49Å; I197-I201 HydrophobicContact CG2-CD1 3.64Å; I197-I201 HydrophobicContact CG2-CG1 4.32Å; I197-I201 WeakPolarHBondContact O-CB 3.27Å; I197-I201 VanDerWaalsContact O-CG1 3.23Å; I197-I201 WeakPolarHBondContact O-CG1 3.42Å; I197-I201 PolarHBondContact O-N 2.85Å
198	L	69.4	Low	62.4	Low	113 Å²	113	104.6 Å²	104.6	59%	0.592	57%	0.567	S	S	*	*	H	α-helix	trans	-68.2	-36.5	177.9	-149.3	150.9	0	0	0	111.8	E194 V195 Q196 T202	E194-L198 WeakPolarHBondContact O-CB 3.44Å; E194-L198 PolarHBondContact O-N 2.88Å; V195-L198 PolarHBondContact O-N 2.89Å; Q196-L198 VanDerWaalsContact C-N 3.29Å; Q196-L198 PolarHBondContact O-N 2.88Å; L198-T202 HydrophobicContact CD2-CG2 4.11Å; L198-T202 WeakPolarHBondContact O-CB 3.37Å; L198-T202 VanDerWaalsContact O-CG2 3.27Å; L198-T202 WeakPolarHBondContact O-CG2 3.46Å; L198-T202 PolarHBondContact O-N 3.4Å; L198-T202 PolarHBondContact O-OG1 2.8Å
199	I	74.6	Confident	65.1	Low	85 Å²	85	103 Å²	103	44%	0.436	56%	0.557	S	S	.	*	H	α-helix	trans	-64.6	-43.9	171.2	-70.9	165.4	0	0	0	111	V195 Q196 T202 L203	V195-I199 HydrophobicContact CG1-CD1 3.88Å; V195-I199 HydrophobicContact CG1-CG1 4.4Å; V195-I199 WeakPolarHBondContact O-CB 3.42Å; V195-I199 WeakPolarHBondContact O-CG1 3.47Å; V195-I199 PolarHBondContact O-N 3.49Å; Q196-I199 PolarHBondContact O-N 3.09Å; I199-T202 VanDerWaalsContact CA-OG1 3.27Å; I199-T202 WeakPolarHBondContact CA-OG1 3.07Å; I199-T202 PolarHBondContact O-N 3.16Å; I199-T202 PolarHBondContact O-OG1 2.95Å; I199-L203 HydrophobicContact CG2-CD1 3.88Å; I199-L203 HydrophobicContact CG2-CG 4.37Å; I199-L203 WeakPolarHBondContact O-CB 3.37Å; I199-L203 VanDerWaalsContact O-CG 3.27Å; I199-L203 WeakPolarHBondContact O-CG 3.37Å; I199-L203 PolarHBondContact O-N 3.03Å
200	V	74.6	Confident	67.8	Low	91 Å²	91	96.9 Å²	96.9	55%	0.552	54%	0.539	S	S	*	.	H	α-helix	trans	-65.7	-43.5	178.3	172.7	0	0	0	0	111	Q196 I197 L203 C204	Q196-V200 VanDerWaalsContact O-CG2 3.32Å; Q196-V200 WeakPolarHBondContact O-CG2 3.16Å; Q196-V200 PolarHBondContact O-N 3.24Å; I197-V200 PolarHBondContact O-N 3.49Å; V200-L203 PolarHBondContact O-N 3.24Å; V200-C204 WeakPolarHBondContact O-CB 3.29Å; V200-C204 PolarHBondContact O-N 2.7Å
201	I	78.6	Confident	70.5	Confident	106 Å²	106	93.3 Å²	93.3	54%	0.544	53%	0.528	S	S	.	.	H	α-helix	trans	-64	-41.8	177	-69.2	168.5	0	0	0	110.9	I197 C204 S205	I197-I201 HydrophobicContact CG2-CD1 3.64Å; I197-I201 HydrophobicContact CG2-CG1 4.32Å; I197-I201 WeakPolarHBondContact O-CB 3.27Å; I197-I201 VanDerWaalsContact O-CG1 3.23Å; I197-I201 WeakPolarHBondContact O-CG1 3.42Å; I197-I201 PolarHBondContact O-N 2.85Å; I201-C204 PolarHBondContact O-N 2.84Å; I201-S205 WeakPolarHBondContact O-CB 3.26Å; I201-S205 PolarHBondContact O-N 2.85Å; I201-S205 PolarHBondContact O-OG 3.13Å
202	T	77.8	Confident	73.1	Confident	64 Å²	64	94.2 Å²	94.2	39%	0.393	51%	0.513	S	S	.	.	H	α-helix	trans	-68.7	-38	177.2	47.9	0	0	0	0	112.4	L198 I199 S205 V206	L198-T202 HydrophobicContact CD2-CG2 4.11Å; L198-T202 WeakPolarHBondContact O-CB 3.37Å; L198-T202 VanDerWaalsContact O-CG2 3.27Å; L198-T202 WeakPolarHBondContact O-CG2 3.46Å; L198-T202 PolarHBondContact O-N 3.4Å; L198-T202 PolarHBondContact O-OG1 2.8Å; I199-T202 VanDerWaalsContact CA-OG1 3.27Å; I199-T202 WeakPolarHBondContact CA-OG1 3.07Å; I199-T202 PolarHBondContact O-N 3.16Å; I199-T202 PolarHBondContact O-OG1 2.95Å; T202-S205 PolarHBondContact O-N 3.01Å; T202-S205 PolarHBondContact O-OG 3.48Å; T202-V206 WeakPolarHBondContact O-CB 3.29Å; T202-V206 VanDerWaalsContact O-CG2 3.23Å; T202-V206 WeakPolarHBondContact O-CG2 3.32Å; T202-V206 PolarHBondContact O-N 3.24Å
203	L	77.7	Confident	75.1	Confident	105 Å²	105	97.9 Å²	97.9	55%	0.55	52%	0.523	S	S	.	.	H	α-helix	trans	-65.2	-42.6	172.4	-73.5	172.7	0	0	0	111.6	I199 V200 V206 L207	I199-L203 HydrophobicContact CG2-CD1 3.88Å; I199-L203 HydrophobicContact CG2-CG 4.37Å; I199-L203 WeakPolarHBondContact O-CB 3.37Å; I199-L203 VanDerWaalsContact O-CG 3.27Å; I199-L203 WeakPolarHBondContact O-CG 3.37Å; I199-L203 PolarHBondContact O-N 3.03Å; V200-L203 PolarHBondContact O-N 3.24Å; L203-V206 PolarHBondContact O-N 3.05Å; L203-L207 WeakPolarHBondContact O-CB 3.19Å; L203-L207 VanDerWaalsContact O-CG 3.29Å; L203-L207 WeakPolarHBondContact O-CG 3.4Å; L203-L207 PolarHBondContact O-N 2.87Å
204	C	83.8	Confident	76.9	Confident	69 Å²	69	97.3 Å²	97.3	47%	0.466	53%	0.528	S	S	.	.	H	α-helix	trans	-62.4	-42.6	174.8	-96.7	0	0	0	0	112.3	V200 I201 L207 I208	V200-C204 WeakPolarHBondContact O-CB 3.29Å; V200-C204 PolarHBondContact O-N 2.7Å; I201-C204 PolarHBondContact O-N 2.84Å; C204-L207 PolarHBondContact O-N 2.98Å; C204-I208 VanDerWaalsContact O-CG1 3.27Å; C204-I208 WeakPolarHBondContact O-CG1 3.47Å; C204-I208 PolarHBondContact O-N 2.83Å
205	S	85.7	Confident	78.7	Confident	52 Å²	52	92.3 Å²	92.3	36%	0.364	51%	0.508	S	S	.	.	H	α-helix	trans	-66.3	-40.2	178.5	70.4	0	0	0	0	111.9	I201 T202 I208 I209	I201-S205 WeakPolarHBondContact O-CB 3.26Å; I201-S205 PolarHBondContact O-N 2.85Å; I201-S205 PolarHBondContact O-OG 3.13Å; T202-S205 PolarHBondContact O-N 3.01Å; T202-S205 PolarHBondContact O-OG 3.48Å; S205-I208 PolarHBondContact O-N 2.79Å; S205-I209 VanDerWaalsContact O-CG1 3.26Å; S205-I209 WeakPolarHBondContact O-CG1 3.41Å; S205-I209 PolarHBondContact O-N 2.89Å
206	V	87.7	Confident	80.1	Confident	80 Å²	80	91.4 Å²	91.4	49%	0.485	50%	0.502	S	S	.	.	H	α-helix	trans	-62.1	-42.9	173.1	172.7	0	0	0	0	110.9	T202 L203 I209 C210	T202-V206 WeakPolarHBondContact O-CB 3.29Å; T202-V206 VanDerWaalsContact O-CG2 3.23Å; T202-V206 WeakPolarHBondContact O-CG2 3.32Å; T202-V206 PolarHBondContact O-N 3.24Å; L203-V206 PolarHBondContact O-N 3.05Å; V206-I209 PolarHBondContact O-N 3.33Å; V206-C210 WeakPolarHBondContact O-CB 3.27Å; V206-C210 PolarHBondContact O-N 3Å; V206-C210 PolarHBondContact O-SG 3.3Å
207	L	83.9	Confident	81.3	Confident	112 Å²	112	90.5 Å²	90.5	59%	0.586	50%	0.501	S	S	*	.	H	α-helix	trans	-62.9	-42.3	176.5	-73.3	174.1	0	0	0	112.4	L203 C204 C210 F211	L203-L207 WeakPolarHBondContact O-CB 3.19Å; L203-L207 VanDerWaalsContact O-CG 3.29Å; L203-L207 WeakPolarHBondContact O-CG 3.4Å; L203-L207 PolarHBondContact O-N 2.87Å; C204-L207 PolarHBondContact O-N 2.98Å; L207-C210 PolarHBondContact O-N 3.06Å; L207-F211 WeakPolarHBondContact O-CB 3.2Å; L207-F211 PolarHBondContact O-N 2.86Å
208	I	86.3	Confident	82.2	Confident	105 Å²	105	95.6 Å²	95.6	54%	0.538	51%	0.514	S	S	.	.	H	α-helix	trans	-63	-45.8	176.4	-68.2	164.3	0	0	0	110.4	C204 S205 C210 F211 L212	C204-I208 VanDerWaalsContact O-CG1 3.27Å; C204-I208 WeakPolarHBondContact O-CG1 3.47Å; C204-I208 PolarHBondContact O-N 2.83Å; S205-I208 PolarHBondContact O-N 2.79Å; I208-C210 PolarHBondContact O-N 3.02Å; I208-F211 PolarHBondContact O-N 3.19Å; I208-L212 HydrophobicContact CG2-CD1 4.13Å; I208-L212 HydrophobicContact CG2-CG 4.5Å; I208-L212 WeakPolarHBondContact O-CG 3.32Å; I208-L212 PolarHBondContact O-N 3.42Å
209	I	87.4	Confident	82.8	Confident	103 Å²	103	94.9 Å²	94.9	53%	0.528	51%	0.51	S	S	.	.	H	α-helix	trans	-62.6	-43.5	177	-67.4	165.6	0	0	0	110.6	S205 V206 F211 L212 M213	S205-I209 VanDerWaalsContact O-CG1 3.26Å; S205-I209 WeakPolarHBondContact O-CG1 3.41Å; S205-I209 PolarHBondContact O-N 2.89Å; V206-I209 PolarHBondContact O-N 3.33Å; I209-F211 VanDerWaalsContact C-N 3.33Å; I209-F211 PolarHBondContact O-N 3.43Å; I209-L212 PolarHBondContact O-N 2.86Å; I209-M213 HydrophobicContact CG2-CG 4.42Å; I209-M213 WeakPolarHBondContact O-CB 3.29Å; I209-M213 VanDerWaalsContact O-CG 3.32Å; I209-M213 WeakPolarHBondContact O-CG 3.37Å; I209-M213 PolarHBondContact O-N 3.38Å
210	C	86	Confident	83	Confident	73 Å²	73	99.5 Å²	99.5	49%	0.493	52%	0.521	S	S	.	.	H	α-helix	trans	-61.1	-40.7	175.3	-74.9	0	0	0	0	112	V206 L207 I208 M213 A214	V206-C210 WeakPolarHBondContact O-CB 3.27Å; V206-C210 PolarHBondContact O-N 3Å; V206-C210 PolarHBondContact O-SG 3.3Å; L207-C210 PolarHBondContact O-N 3.06Å; I208-C210 PolarHBondContact O-N 3.02Å; C210-M213 PolarHBondContact O-N 2.65Å; C210-A214 WeakPolarHBondContact O-CB 3.42Å; C210-A214 PolarHBondContact O-N 3.37Å
211	F	84.1	Confident	83.1	Confident	147 Å²	147	97.8 Å²	97.8	65%	0.645	51%	0.513	S	S	*	.	H	α-helix	trans	-66	-45.2	176.9	-169.4	-96.7	0	0	0	111.6	L207 I208 I209 M213 A214 V215	L207-F211 WeakPolarHBondContact O-CB 3.2Å; L207-F211 PolarHBondContact O-N 2.86Å; I208-F211 PolarHBondContact O-N 3.19Å; I209-F211 VanDerWaalsContact C-N 3.33Å; I209-F211 PolarHBondContact O-N 3.43Å; F211-M213 PolarHBondContact O-N 3.14Å; F211-A214 PolarHBondContact O-N 3.45Å; F211-V215 HydrophobicContact CD1-CG2 4.09Å; F211-V215 HydrophobicContact CE1-CG2 3.83Å; F211-V215 HydrophobicContact CZ-CG2 4.27Å; F211-V215 VanDerWaalsContact O-CG2 3.31Å; F211-V215 WeakPolarHBondContact O-CG2 3.44Å; F211-V215 PolarHBondContact O-N 2.82Å
212	L	87.3	Confident	82.8	Confident	102 Å²	102	98.9 Å²	98.9	53%	0.534	51%	0.514	S	S	.	.	H	α-helix	trans	-59.9	-44.5	174.7	-71.7	173.2	0	0	0	111.6	I208 I209 V215 V216	I208-L212 HydrophobicContact CG2-CD1 4.13Å; I208-L212 HydrophobicContact CG2-CG 4.5Å; I208-L212 WeakPolarHBondContact O-CG 3.32Å; I208-L212 PolarHBondContact O-N 3.42Å; I209-L212 PolarHBondContact O-N 2.86Å; L212-V215 PolarHBondContact O-N 2.89Å; L212-V216 WeakPolarHBondContact O-CB 3.27Å; L212-V216 VanDerWaalsContact O-CG2 3.27Å; L212-V216 WeakPolarHBondContact O-CG2 3.27Å; L212-V216 PolarHBondContact O-N 2.86Å
213	M	83.7	Confident	82.4	Confident	110 Å²	110	99.1 Å²	99.1	54%	0.542	52%	0.518	S	S	.	.	H	α-helix	trans	-63.5	-41.5	176.1	-73.9	-63.9	-72.2	0	0	112	I209 C210 F211 V215 V216 L217	I209-M213 HydrophobicContact CG2-CG 4.42Å; I209-M213 WeakPolarHBondContact O-CB 3.29Å; I209-M213 VanDerWaalsContact O-CG 3.32Å; I209-M213 WeakPolarHBondContact O-CG 3.37Å; I209-M213 PolarHBondContact O-N 3.38Å; C210-M213 PolarHBondContact O-N 2.65Å; F211-M213 PolarHBondContact O-N 3.14Å; M213-V215 PolarHBondContact O-N 3.1Å; M213-V216 PolarHBondContact O-N 2.81Å; M213-L217 WeakPolarHBondContact O-CB 3.37Å; M213-L217 VanDerWaalsContact O-CG 3.23Å; M213-L217 WeakPolarHBondContact O-CG 3.42Å; M213-L217 PolarHBondContact O-N 2.67Å
214	A	82.2	Confident	82.1	Confident	56 Å²	56	100.3 Å²	100.3	46%	0.463	52%	0.519	S	S	.	.	H	α-helix	trans	-62.5	-41.7	175.5	0	0	0	0	0	111.8	C210 F211 L217 R218	C210-A214 WeakPolarHBondContact O-CB 3.42Å; C210-A214 PolarHBondContact O-N 3.37Å; F211-A214 PolarHBondContact O-N 3.45Å; A214-L217 PolarHBondContact O-N 2.79Å; A214-R218 VanDerWaalsContact O-CB 3.32Å; A214-R218 WeakPolarHBondContact O-CB 3.23Å; A214-R218 PolarHBondContact O-N 2.96Å
215	V	85.2	Confident	81.1	Confident	58 Å²	58	105.4 Å²	105.4	35%	0.352	53%	0.528	S	S	.	.	H	α-helix	trans	-64.7	-47.1	175.4	171.9	0	0	0	0	111	F211 L212 M213 L217 R218 I219	F211-V215 HydrophobicContact CD1-CG2 4.09Å; F211-V215 HydrophobicContact CE1-CG2 3.83Å; F211-V215 HydrophobicContact CZ-CG2 4.27Å; F211-V215 VanDerWaalsContact O-CG2 3.31Å; F211-V215 WeakPolarHBondContact O-CG2 3.44Å; F211-V215 PolarHBondContact O-N 2.82Å; L212-V215 PolarHBondContact O-N 2.89Å; M213-V215 PolarHBondContact O-N 3.1Å; V215-L217 VanDerWaalsContact C-N 3.34Å; V215-L217 PolarHBondContact O-N 2.63Å; V215-R218 PolarHBondContact O-N 3.33Å; V215-R218 VanDerWaalsContact O-N 3.15Å; V215-I219 HydrophobicContact CG1-CD1 3.76Å; V215-I219 HydrophobicContact CG1-CG1 4.41Å; V215-I219 WeakPolarHBondContact O-CG1 3.5Å; V215-I219 PolarHBondContact O-N 3.31Å
216	V	86.3	Confident	80.1	Confident	68 Å²	68	107 Å²	107	41%	0.412	53%	0.53	S	S	.	.	H	α-helix	trans	-60.9	-42.3	177.3	170.2	0	0	0	0	111.3	L212 M213 I219 R220	L212-V216 WeakPolarHBondContact O-CB 3.27Å; L212-V216 VanDerWaalsContact O-CG2 3.27Å; L212-V216 WeakPolarHBondContact O-CG2 3.27Å; L212-V216 PolarHBondContact O-N 2.86Å; M213-V216 PolarHBondContact O-N 2.81Å; V216-I219 PolarHBondContact O-N 3.19Å; V216-R220 WeakPolarHBondContact O-CB 3.32Å; V216-R220 PolarHBondContact O-N 3.47Å
217	L	81.3	Confident	78.8	Confident	103 Å²	103	106.8 Å²	106.8	54%	0.539	53%	0.529	S	S	.	.	H	α-helix	trans	-66.1	-37.5	175.6	-72.3	173.5	0	0	0	111.8	M213 A214 V215 R220 S221	M213-L217 WeakPolarHBondContact O-CB 3.37Å; M213-L217 VanDerWaalsContact O-CG 3.23Å; M213-L217 WeakPolarHBondContact O-CG 3.42Å; M213-L217 PolarHBondContact O-N 2.67Å; A214-L217 PolarHBondContact O-N 2.79Å; V215-L217 VanDerWaalsContact C-N 3.34Å; V215-L217 PolarHBondContact O-N 2.63Å; L217-R220 PolarHBondContact O-N 3.48Å; L217-S221 WeakPolarHBondContact O-CB 3.44Å; L217-S221 PolarHBondContact O-N 3.26Å
218	R	83.6	Confident	77.5	Confident	205 Å²	205	105.9 Å²	105.9	77%	0.774	52%	0.522	S	S	*	.	H	α-helix	trans	-66.7	-41.9	175.7	-164.5	172.6	-173.3	175.5	1	111.6	A214 V215 S221 F222	A214-R218 VanDerWaalsContact O-CB 3.32Å; A214-R218 WeakPolarHBondContact O-CB 3.23Å; A214-R218 PolarHBondContact O-N 2.96Å; V215-R218 PolarHBondContact O-N 3.33Å; V215-R218 VanDerWaalsContact O-N 3.15Å; R218-S221 PolarHBondContact O-N 2.86Å; R218-F222 WeakPolarHBondContact O-CB 3.36Å; R218-F222 PolarHBondContact O-N 2.88Å
219	I	81.6	Confident	76	Confident	99 Å²	99	104 Å²	104	51%	0.508	52%	0.518	S	S	.	.	H	α-helix	trans	-65.9	-45.9	174.3	-65	167.1	0	0	0	110.4	V215 V216 S221 F222 C223	V215-I219 HydrophobicContact CG1-CD1 3.76Å; V215-I219 HydrophobicContact CG1-CG1 4.41Å; V215-I219 WeakPolarHBondContact O-CG1 3.5Å; V215-I219 PolarHBondContact O-N 3.31Å; V216-I219 PolarHBondContact O-N 3.19Å; I219-S221 VanDerWaalsContact C-N 3.33Å; I219-S221 PolarHBondContact O-N 3.44Å; I219-F222 CarbonylContact O-C 3.59Å; I219-F222 WeakPolarHBondContact O-CB 3.23Å; I219-F222 PolarHBondContact O-N 2.87Å; I219-F222 VanDerWaalsContact O-N 3.13Å; I219-C223 PolarHBondContact O-N 3.41Å; I219-C223 PolarHBondContact O-SG 3.3Å; I219-C223 VanDerWaalsContact O-SG 3.33Å
220	R	78.9	Confident	74.4	Confident	181 Å²	181	107.8 Å²	107.8	68%	0.683	53%	0.525	S	S	*	.	H	α-helix	trans	-59.7	-42.5	175.1	-86	-173	170.7	174	-0.9	112	V216 L217 F222 C223 K224	V216-R220 WeakPolarHBondContact O-CB 3.32Å; V216-R220 PolarHBondContact O-N 3.47Å; L217-R220 PolarHBondContact O-N 3.48Å; R220-F222 VanDerWaalsContact C-N 3.32Å; R220-C223 PolarHBondContact O-N 2.83Å; R220-K224 WeakPolarHBondContact O-CB 3.2Å; R220-K224 PolarHBondContact O-N 3.47Å
221	S	75.1	Confident	73	Confident	55 Å²	55	111.1 Å²	111.1	39%	0.385	53%	0.532	S	S	.	.	H	α-helix	trans	-61.4	-41.8	174.7	-178.2	0	0	0	0	111.2	L217 R218 I219 K224 R225	L217-S221 WeakPolarHBondContact O-CB 3.44Å; L217-S221 PolarHBondContact O-N 3.26Å; R218-S221 PolarHBondContact O-N 2.86Å; I219-S221 VanDerWaalsContact C-N 3.33Å; I219-S221 PolarHBondContact O-N 3.44Å; S221-K224 PolarHBondContact O-N 3.34Å; S221-R225 WeakPolarHBondContact O-CG 3.46Å; S221-R225 PolarHBondContact O-N 3.27Å
222	F	72.3	Confident	71.5	Confident	129 Å²	129	110.3 Å²	110.3	57%	0.566	53%	0.53	S	S	*	.	H	α-helix	trans	-66	-44.4	175.8	-165.4	-100	0	0	0	112.6	R218 I219 R220 K224 R225 Q226	R218-F222 WeakPolarHBondContact O-CB 3.36Å; R218-F222 PolarHBondContact O-N 2.88Å; I219-F222 CarbonylContact O-C 3.59Å; I219-F222 WeakPolarHBondContact O-CB 3.23Å; I219-F222 PolarHBondContact O-N 2.87Å; I219-F222 VanDerWaalsContact O-N 3.13Å; R220-F222 VanDerWaalsContact C-N 3.32Å; F222-K224 VanDerWaalsContact C-N 3.33Å; F222-K224 PolarHBondContact O-N 2.94Å; F222-R225 PolarHBondContact O-N 3.34Å; F222-Q226 HydrophobicContact CD1-CG 4.37Å; F222-Q226 HydrophobicContact CE1-CG 4.13Å; F222-Q226 PolarHBondContact O-N 3.42Å
223	C	70.4	Confident	69.8	Low	70 Å²	70	112.6 Å²	112.6	47%	0.473	54%	0.54	S	S	.	.	H	α-helix	trans	-64.2	-36.5	174.7	-67.5	0	0	0	0	112.2	I219 R220 Q226 T227	I219-C223 PolarHBondContact O-N 3.41Å; I219-C223 PolarHBondContact O-SG 3.3Å; I219-C223 VanDerWaalsContact O-SG 3.33Å; R220-C223 PolarHBondContact O-N 2.83Å; C223-Q226 PolarHBondContact O-N 3.23Å; C223-T227 WeakPolarHBondContact O-CB 3.4Å; C223-T227 WeakPolarHBondContact O-CG2 3.5Å; C223-T227 PolarHBondContact O-N 2.93Å; C223-T227 PolarHBondContact O-OG1 3.4Å
224	K	70.9	Confident	68.2	Low	129 Å²	129	116.4 Å²	116.4	56%	0.561	55%	0.548	S	S	*	.	H	α-helix	trans	-65.5	-44.7	174.8	-172.1	174.2	174	179.5	0	110.8	R220 S221 F222 Q226 T227 E228	R220-K224 WeakPolarHBondContact O-CB 3.2Å; R220-K224 PolarHBondContact O-N 3.47Å; S221-K224 PolarHBondContact O-N 3.34Å; F222-K224 VanDerWaalsContact C-N 3.33Å; F222-K224 PolarHBondContact O-N 2.94Å; K224-Q226 PolarHBondContact O-N 3.42Å; K224-T227 WeakPolarHBondContact CA-OG1 3.32Å; K224-T227 PolarHBondContact O-N 3.28Å; K224-T227 PolarHBondContact O-OG1 2.87Å; K224-E228 WeakPolarHBondContact CE-OE1 3.32Å; K224-E228 IonicContact NZ-OE1 3.95Å; K224-E228 WeakPolarHBondContact O-CB 3.36Å; K224-E228 WeakPolarHBondContact O-CG 3.31Å; K224-E228 PolarHBondContact O-N 3.43Å
225	R	63.4	Low	66.7	Low	176 Å²	176	118.6 Å²	118.6	66%	0.664	55%	0.552	S	S	*	*	H	α-helix	trans	-63.1	-38	174.6	-72.7	178.3	-176.5	-173.2	0.1	112.8	S221 F222 S229	S221-R225 WeakPolarHBondContact O-CG 3.46Å; S221-R225 PolarHBondContact O-N 3.27Å; F222-R225 PolarHBondContact O-N 3.34Å; R225-S229 WeakPolarHBondContact O-CB 3.42Å; R225-S229 PolarHBondContact O-N 3Å; R225-S229 PolarHBondContact O-OG 2.94Å
226	Q	64.4	Low	64.7	Low	87 Å²	87	121 Å²	121	41%	0.407	56%	0.563	S	S	.	*	H	α-helix	trans	-71.2	-31.5	174.8	-76	-148.7	3.4	0	0	113.5	F222 C223 K224 S229 R230	F222-Q226 HydrophobicContact CD1-CG 4.37Å; F222-Q226 HydrophobicContact CE1-CG 4.13Å; F222-Q226 PolarHBondContact O-N 3.42Å; C223-Q226 PolarHBondContact O-N 3.23Å; K224-Q226 PolarHBondContact O-N 3.42Å; Q226-S229 PolarHBondContact O-OG 2.86Å; Q226-S229 VanDerWaalsContact O-OG 3.11Å; Q226-R230 VanDerWaalsContact O-CG 3.3Å; Q226-R230 WeakPolarHBondContact O-CG 3.36Å; Q226-R230 PolarHBondContact O-N 3.29Å
227	T	60.6	Low	62.7	Low	75 Å²	75	127.3 Å²	127.3	46%	0.46	58%	0.579	S	S	.	*	H	α-helix	trans	-77.9	-34	176.1	48.9	0	0	0	0	111.9	C223 K224 K231	C223-T227 WeakPolarHBondContact O-CB 3.4Å; C223-T227 WeakPolarHBondContact O-CG2 3.5Å; C223-T227 PolarHBondContact O-N 2.93Å; C223-T227 PolarHBondContact O-OG1 3.4Å; K224-T227 WeakPolarHBondContact CA-OG1 3.32Å; K224-T227 PolarHBondContact O-N 3.28Å; K224-T227 PolarHBondContact O-OG1 2.87Å; T227-K231 WeakPolarHBondContact O-CG 3.32Å; T227-K231 PolarHBondContact O-N 3.43Å; T227-K231 VanDerWaalsContact O-N 3.08Å
228	E	56.5	Low	61	Low	92 Å²	92	127.4 Å²	127.4	43%	0.43	58%	0.58	S	S	.	*	H	α-helix	trans	-68.7	-41.2	171.5	-75.1	171.8	178.7	0	0	111.8	K224 R230 K231 Q232	K224-E228 WeakPolarHBondContact CE-OE1 3.32Å; K224-E228 IonicContact NZ-OE1 3.95Å; K224-E228 WeakPolarHBondContact O-CB 3.36Å; K224-E228 WeakPolarHBondContact O-CG 3.31Å; K224-E228 PolarHBondContact O-N 3.43Å; E228-R230 VanDerWaalsContact C-N 3.32Å; E228-R230 PolarHBondContact O-N 2.88Å; E228-K231 PolarHBondContact O-N 2.93Å; E228-K231 VanDerWaalsContact O-N 3.12Å; E228-Q232 WeakPolarHBondContact O-CB 3.26Å; E228-Q232 PolarHBondContact O-N 3.5Å
229	S	54.8	Low	59.2	Low	65 Å²	65	121.2 Å²	121.2	46%	0.455	57%	0.569	S	S	.	*	H	α-helix	trans	-63.9	-36.3	175.5	73.7	0	0	0	0	112.7	R225 Q226 Q232 M233	R225-S229 WeakPolarHBondContact O-CB 3.42Å; R225-S229 PolarHBondContact O-N 3Å; R225-S229 PolarHBondContact O-OG 2.94Å; Q226-S229 PolarHBondContact O-OG 2.86Å; Q226-S229 VanDerWaalsContact O-OG 3.11Å; S229-Q232 PolarHBondContact O-N 2.89Å; S229-M233 PolarHBondContact O-N 3.38Å
230	R	53.5	Low	57.3	Low	183 Å²	183	119.9 Å²	119.9	69%	0.691	57%	0.572	S	S	*	*	H	α-helix	trans	-69.2	-31.8	173.3	-74.2	-179.6	-177.5	-166.1	2.4	113.1	Q226 E228 R234	Q226-R230 VanDerWaalsContact O-CG 3.3Å; Q226-R230 WeakPolarHBondContact O-CG 3.36Å; Q226-R230 PolarHBondContact O-N 3.29Å; E228-R230 VanDerWaalsContact C-N 3.32Å; E228-R230 PolarHBondContact O-N 2.88Å; R230-R234 PolarHBondContact O-N 2.73Å
231	K	56.3	Low	55.5	Low	143 Å²	143	118.3 Å²	118.3	62%	0.622	58%	0.577	S	S	*	*	H	α-helix	trans	-72.7	-38	173.6	-75.3	177.2	179.9	-175.8	0	111.6	T227 E228 R234 N235	T227-K231 WeakPolarHBondContact O-CG 3.32Å; T227-K231 PolarHBondContact O-N 3.43Å; T227-K231 VanDerWaalsContact O-N 3.08Å; E228-K231 PolarHBondContact O-N 2.93Å; E228-K231 VanDerWaalsContact O-N 3.12Å; K231-R234 PolarHBondContact O-N 3.44Å; K231-N235 PolarHBondContact O-N 2.87Å
232	Q	53.2	Low	53.6	Low	130 Å²	130	122.9 Å²	122.9	61%	0.607	59%	0.592	S	S	*	*	H	α-helix	trans	-69.4	-38.6	178.8	-153.5	142.4	-1.4	0	0	111.9	E228 S229 R234 N235 D236	E228-Q232 WeakPolarHBondContact O-CB 3.26Å; E228-Q232 PolarHBondContact O-N 3.5Å; S229-Q232 PolarHBondContact O-N 2.89Å; Q232-R234 VanDerWaalsContact C-N 3.27Å; Q232-R234 PolarHBondContact O-N 2.92Å; Q232-N235 PolarHBondContact O-N 3.27Å; Q232-D236 PolarHBondContact O-N 2.89Å
233	M	50.9	Low	51.8	Low	151 Å²	151	122.4 Å²	122.4	74%	0.744	59%	0.594	S	S	*	*	H	α-helix	trans	-65.8	-23.9	171.1	-83.5	-164.6	149.4	0	0	114.5	S229 R237	S229-M233 PolarHBondContact O-N 3.38Å; M233-R237 PolarHBondContact O-N 2.85Å
234	R	49.7	Very low	50	Low	189 Å²	189	125.9 Å²	125.9	71%	0.713	61%	0.608	S	S	*	*	H	α-helix	trans	-77.5	-44.5	172.5	-115.2	179.3	-179.4	162.1	-0.6	111	R230 K231 Q232 D236 R237 D238	R230-R234 PolarHBondContact O-N 2.73Å; K231-R234 PolarHBondContact O-N 3.44Å; Q232-R234 VanDerWaalsContact C-N 3.27Å; Q232-R234 PolarHBondContact O-N 2.92Å; R234-D236 PolarHBondContact O-N 3.42Å; R234-R237 PolarHBondContact O-N 3.49Å; R234-D238 PolarHBondContact O-N 3.3Å
235	N	50.8	Low	48.3	Very low	103 Å²	103	127.2 Å²	127.2	55%	0.551	61%	0.614	S	S	*	*	H	α-helix	trans	-66.9	-34.2	177.7	-74.2	2.6	0	0	0	112.8	K231 Q232 R237 D238 S239	K231-N235 PolarHBondContact O-N 2.87Å; Q232-N235 PolarHBondContact O-N 3.27Å; N235-R237 VanDerWaalsContact C-N 3.33Å; N235-D238 PolarHBondContact O-N 3.15Å; N235-S239 WeakPolarHBondContact O-CB 3.46Å; N235-S239 PolarHBondContact O-N 2.9Å; N235-S239 PolarHBondContact O-OG 3.24Å
236	D	44.7	Very low	46.9	Very low	108 Å²	108	124.5 Å²	124.5	58%	0.578	62%	0.619	S	S	*	*	H	α-helix	trans	-69.7	-31.3	173.8	-79.7	-19	0	0	0	112.1	Q232 R234 A240	Q232-D236 PolarHBondContact O-N 2.89Å; R234-D236 PolarHBondContact O-N 3.42Å; D236-A240 WeakPolarHBondContact O-CB 3.27Å; D236-A240 PolarHBondContact O-N 2.89Å
237	R	44.4	Very low	45.5	Very low	200 Å²	200	129.8 Å²	129.8	76%	0.755	64%	0.637	S	S	*	*	H	α-helix	trans	-71.6	-37.9	174.3	-119.8	-178.4	170.5	154.2	-1.8	112.6	M233 R234 N235	M233-R237 PolarHBondContact O-N 2.85Å; R234-R237 PolarHBondContact O-N 3.49Å; N235-R237 VanDerWaalsContact C-N 3.33Å
238	D	44.2	Very low	44	Very low	105 Å²	105	133.2 Å²	133.2	56%	0.561	65%	0.653	S	S	*	*	H	α-helix	trans	-80.3	-29.3	178.2	-68.5	-22.8	0	0	0	112.1	R234 N235 L241	R234-D238 PolarHBondContact O-N 3.3Å; N235-D238 PolarHBondContact O-N 3.15Å; D238-L241 PolarHBondContact O-N 3.36Å
239	S	47.5	Very low	43.1	Very low	76 Å²	76	134.9 Å²	134.9	53%	0.531	67%	0.669	S	S	.	*	H	α-helix	trans	-77.5	-30	174.5	-54.4	0	0	0	0	112.5	N235 L241 Q242	N235-S239 WeakPolarHBondContact O-CB 3.46Å; N235-S239 PolarHBondContact O-N 2.9Å; N235-S239 PolarHBondContact O-OG 3.24Å; S239-L241 PolarHBondContact O-N 3.48Å; S239-Q242 PolarHBondContact O-N 2.89Å
240	A	41.1	Very low	41.8	Very low	71 Å²	71	138 Å²	138	59%	0.587	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-13.2	171.1	0	0	0	0	0	113.4	D236	D236-A240 WeakPolarHBondContact O-CB 3.27Å; D236-A240 PolarHBondContact O-N 2.89Å
241	L	39.8	Very low	40.8	Very low	148 Å²	148	137.4 Å²	137.4	78%	0.775	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-10.9	175.3	-122	116.9	0	0	0	113.5	D238 S239 I243	D238-L241 PolarHBondContact O-N 3.36Å; S239-L241 PolarHBondContact O-N 3.48Å; L241-I243 VanDerWaalsContact C-N 3.26Å; L241-I243 PolarHBondContact O-N 3.46Å
242	Q	35.3	Very low	39.6	Very low	151 Å²	151	136.6 Å²	136.6	71%	0.706	69%	0.687	S	S	*	*			trans	-89.1	61.3	168.2	-79.4	-173.4	-4	0	0	110.9	S239 N244	S239-Q242 PolarHBondContact O-N 2.89Å; Q242-N244 PolarHBondContact O-N 3.45Å; Q242-N244 VanDerWaalsContact O-N 3.08Å
243	I	34.5	Very low	38.5	Very low	118 Å²	118	138.7 Å²	138.7	61%	0.605	70%	0.696	S	S	*	*			trans	-77	88.4	158.4	-59.7	174.5	0	0	0	105.7	L241 F245	L241-I243 VanDerWaalsContact C-N 3.26Å; L241-I243 PolarHBondContact O-N 3.46Å; I243-F245 HydrophobicContact CG2-CD2 4.45Å; I243-F245 HydrophobicContact CG2-CE2 4.17Å; I243-F245 HydrophobicContact CG2-CZ 4.23Å; I243-F245 WeakPolarHBondContact O-CD2 3.36Å; I243-F245 PolarHBondContact O-N 3.24Å
244	N	34.2	Very low	37.6	Very low	143 Å²	143	137.7 Å²	137.7	77%	0.765	70%	0.698	S	S	*	*			trans	-64.9	102.1	168.1	-87	-18.2	0	0	0	108.1	Q242	Q242-N244 PolarHBondContact O-N 3.45Å; Q242-N244 VanDerWaalsContact O-N 3.08Å
245	F	35.3	Very low	36.7	Very low	157 Å²	157	132.9 Å²	132.9	69%	0.689	70%	0.699	S	S	*	*			trans	-66	127.8	166.6	-72.4	-83.2	0	0	0	108.8	I243 Y247	I243-F245 HydrophobicContact CG2-CD2 4.45Å; I243-F245 HydrophobicContact CG2-CE2 4.17Å; I243-F245 HydrophobicContact CG2-CZ 4.23Å; I243-F245 WeakPolarHBondContact O-CD2 3.36Å; I243-F245 PolarHBondContact O-N 3.24Å; F245-Y247 HydrophobicContact CB-CD2 4.08Å; F245-Y247 HydrophobicContact CB-CE2 4.36Å; F245-Y247 PolarHBondContact O-N 2.87Å
246	P	34.1	Very low	35.9	Very low	119 Å²	119	136.8 Å²	136.8	77%	0.773	71%	0.714	S	S	*	*			trans	-77	98.8	175.7	31.3	-29.5	0	0	0	108
247	Y	33.3	Very low	35.3	Very low	198 Å²	198	141 Å²	141	78%	0.776	73%	0.728	S	S	*	*			trans	-124.2	85.7	162.8	-78.8	-76.4	0	0	0	109	F245 V249	F245-Y247 HydrophobicContact CB-CD2 4.08Å; F245-Y247 HydrophobicContact CB-CE2 4.36Å; F245-Y247 PolarHBondContact O-N 2.87Å; Y247-V249 PolarHBondContact O-N 3.45Å
248	D	30.6	Very low	35	Very low	148 Å²	148	139.2 Å²	139.2	79%	0.791	73%	0.732	S	S	*	*				25.9	86.3	118.5	-153.4	17.9	0	0	0	116.4
249	V	36.4	Very low	34.5	Very low	127 Å²	127	139.2 Å²	139.2	77%	0.77	74%	0.738	S	S	*	*			trans	-149.1	110.6	145.3	-161.8	0	0	0	0	109.1	Y247	Y247-V249 PolarHBondContact O-N 3.45Å
250	N	28.8	Very low	33.6	Very low	131 Å²	131	142.2 Å²	142.2	70%	0.701	75%	0.752	S	S	*	*			trans	-3.3	125.5	147.6	-55.3	-43.3	0	0	0	115.5
251	E	31.3	Very low	33.4	Very low	169 Å²	169	144 Å²	144	79%	0.79	76%	0.758	S	S	*	*				174.4	115.7	110.5	-91.1	178.7	168.1	0	0	111.9
252	I	31.7	Very low	32.9	Very low	127 Å²	127	142.5 Å²	142.5	65%	0.651	76%	0.76	S	S	*	*				67.8	105.6	127.2	-52.3	164.2	0	0	0	118
253	Q	30.1	Very low	32.9	Very low	173 Å²	173	141.3 Å²	141.3	81%	0.808	76%	0.763	S	S	*	*			trans	39.3	126.4	130.3	-52.1	175.4	11.9	0	0	116.9
254	V	31.2	Very low	32.6	Very low	130 Å²	130	141.7 Å²	141.7	79%	0.788	77%	0.771	S	S	*	*				-179.2	136.6	85.3	156.9	0	0	0	0	108.5
255	A	31.4	Very low	32.2	Very low	89 Å²	89	145 Å²	145	74%	0.736	78%	0.779	S	S	*	*			trans	38.4	139.4	148.7	0	0	0	0	0	119.8
256	E	33.8	Very low	31.8	Very low	184 Å²	184	140.9 Å²	140.9	86%	0.86	78%	0.78	S	S	*	*			cis	-171.7	140.7	33.8	-152.3	169.6	-165.1	0	0	106.3
257	K	32.9	Very low	31.4	Very low	198 Å²	198	140.4 Å²	140.4	86%	0.861	78%	0.78	S	S	*	*			trans	-98.9	135.9	179.3	-166.9	-175.7	-171.4	-177.4	0	108.7
258	L	37.1	Very low	31.2	Very low	162 Å²	162	138 Å²	138	85%	0.848	78%	0.78	S	S	*	*			trans	-134.6	154.2	159.6	-83.7	170.7	0	0	0	111.6
259	P	33.7	Very low	31	Very low	105 Å²	105	137.1 Å²	137.1	68%	0.682	78%	0.781	S	S	*	*			trans	-101.1	165.4	-141.1	38.8	-34	0	0	0	113.8
260	V	30	Very low	30.5	Very low	138 Å²	138	139.2 Å²	139.2	84%	0.836	78%	0.782	S	S	*	*			trans	-57.4	128.8	171.7	-175.5	0	0	0	0	110.6
261	P	35.6	Very low	30.4	Very low	110 Å²	110	139 Å²	139	71%	0.714	79%	0.788	S	S	*	*			trans	-94	111.5	166.1	23.4	-10.3	0	0	0	110.5
262	S	28.9	Very low	30.1	Very low	115 Å²	115	133.8 Å²	133.8	80%	0.804	78%	0.779	S	S	*	*			trans	-83.8	106.7	157.3	54	0	0	0	0	108.9
263	T	35.9	Very low	29.9	Very low	127 Å²	127	136.4 Å²	136.4	78%	0.779	79%	0.788	S	S	*	*			trans	-141.5	116.1	168.1	48.4	0	0	0	0	111
264	T	27.6	Very low	29.7	Very low	126 Å²	126	133.4 Å²	133.4	77%	0.773	78%	0.782	S	S	*	*			trans	-54.5	163.2	164.7	29.5	0	0	0	0	114.1
265	F	27.2	Very low	29.4	Very low	213 Å²	213	136.3 Å²	136.3	93%	0.934	78%	0.784	S	S	*	*			trans	103.2	112.8	170.8	-68.7	-83.8	0	0	0	116.5
266	G	27	Very low	29.1	Very low	69 Å²	69	137.1 Å²	137.1	71%	0.711	77%	0.771	S	S	*	*			trans	166.8	72.9	172.7	0	0	0	0	0	112.3	N268	G266-N268 PolarHBondContact O-N 2.88Å
267	S	25.7	Very low	28.7	Very low	109 Å²	109	139.8 Å²	139.8	76%	0.762	77%	0.773	S	S	*	*			trans	-57.1	109.7	175.1	55	0	0	0	0	112
268	N	28.3	Very low	28.4	Very low	147 Å²	147	134.4 Å²	134.4	79%	0.786	75%	0.753	S	S	*	*			trans	-114.6	84.2	159.9	-74.8	-21	0	0	0	107.9	G266 H270	G266-N268 PolarHBondContact O-N 2.88Å; N268-H270 PolarHBondContact O-N 3.49Å; N268-H270 VanDerWaalsContact O-N 3.08Å
269	T	27.2	Very low	27.9	Very low	131 Å²	131	128 Å²	128	80%	0.804	73%	0.727	S	S	*	*			trans	-48.3	111.9	161.2	36.6	0	0	0	0	108.9
270	H	25.1	Very low	27.7	Very low	170 Å²	170	127.4 Å²	127.4	79%	0.787	72%	0.721	S	S	*	*			trans	-51.2	137	167.5	-65.5	-33.2	0	0	0	110	N268 G272	N268-H270 PolarHBondContact O-N 3.49Å; N268-H270 VanDerWaalsContact O-N 3.08Å; H270-G272 PolarHBondContact O-N 3.36Å
271	P	26.7	Very low	27.6	Very low	128 Å²	128	127.5 Å²	127.5	83%	0.831	71%	0.707	S	S	*	*			trans	-66.5	97.8	152.3	28.2	-25.9	0	0	0	105.4	Q273	P271-Q273 PolarHBondContact O-N 2.84Å
272	G	26.1	Very low	27.2	Very low	58 Å²	58	126 Å²	126	60%	0.598	69%	0.687	S	S	*	*			trans	-52.9	124	178.9	0	0	0	0	0	109	H270 T274	H270-G272 PolarHBondContact O-N 3.36Å; G272-T274 PolarHBondContact O-N 3.36Å
273	Q	26.5	Very low	27.2	Very low	183 Å²	183	125.8 Å²	125.8	86%	0.855	67%	0.669	S	S	*	*			trans	-54.3	105.9	166.5	-74.6	179.9	-18.1	0	0	107.3	P271 K275	P271-Q273 PolarHBondContact O-N 2.84Å; Q273-K275 VanDerWaalsContact C-N 3.34Å; Q273-K275 PolarHBondContact O-N 2.95Å
274	T	25.3	Very low	26.9	Very low	109 Å²	109	123.7 Å²	123.7	67%	0.669	65%	0.654	S	S	*	*			trans	-61.9	100.2	171	37.5	0	0	0	0	106.9	G272 K276	G272-T274 PolarHBondContact O-N 3.36Å; T274-K276 PolarHBondContact O-N 3.34Å
275	K	24.7	Very low	26.9	Very low	191 Å²	191	126.1 Å²	126.1	83%	0.83	65%	0.649	S	S	*	*			trans	-67.3	80	170.4	-73.5	-178	178	177.8	0	107.7	Q273 R277	Q273-K275 VanDerWaalsContact C-N 3.34Å; Q273-K275 PolarHBondContact O-N 2.95Å; K275-R277 PolarHBondContact O-N 2.96Å
276	K	26.7	Very low	27	Very low	107 Å²	107	122.9 Å²	122.9	47%	0.465	64%	0.639	S	S	.	*			trans	-60.9	105.2	164.2	-74.4	-166	174.9	-163.5	0	106.7	T274 I278	T274-K276 PolarHBondContact O-N 3.34Å; K276-I278 PolarHBondContact O-N 3.02Å
277	R	24.3	Very low	27.1	Very low	239 Å²	239	124.6 Å²	124.6	90%	0.902	64%	0.638	S	S	*	*			trans	-76.2	105.8	171	-88.1	-174.6	173.7	-178.3	-1	107.6	K275	K275-R277 PolarHBondContact O-N 2.96Å
278	I	27.2	Very low	27.4	Very low	85 Å²	85	128 Å²	128	44%	0.436	64%	0.642	S	S	.	*			trans	-80.5	114.2	166.4	-60	170	0	0	0	106.4	L33 K276	L33-I278 HydrophobicContact CD2-CD1 4.13Å; L33-I278 HydrophobicContact CD2-CG2 4.48Å; K276-I278 PolarHBondContact O-N 3.02Å
279	G	26.7	Very low	27.6	Very low	29 Å²	29	123.7 Å²	123.7	30%	0.299	62%	0.623	S	S	.	*			trans	-84.8	117.4	172.4	0	0	0	0	0	109.9	V313	G279-V313 VanDerWaalsContact O-O 3.14Å
280	V	28	Very low	27.8	Very low	92 Å²	92	126.8 Å²	126.8	56%	0.558	63%	0.625	S	S	*	*			trans	-97.2	113	171.3	167.6	0	0	0	0	108.3	F312	V280-F312 HydrophobicContact CB-CD1 4.47Å; V280-F312 HydrophobicContact CG1-CD1 3.39Å; V280-F312 HydrophobicContact CG1-CE1 3.56Å; V280-F312 HydrophobicContact CG2-CD1 4.39Å
281	Y	28	Very low	27.9	Very low	140 Å²	140	129 Å²	129	55%	0.549	63%	0.628	S	S	.	*			trans	-107	122.5	177.8	-63.1	-82.6	0	0	0	110.7
282	R	27.9	Very low	28	Very low	79 Å²	79	128.7 Å²	128.7	30%	0.298	62%	0.619	S	S	.	*			trans	-88.2	115.4	173.2	-179.5	173.4	-173.9	-179.8	8.5	110.2	N284 T310	R282-N284 PolarHBondContact NE-OD1 3.41Å; R282-N284 VanDerWaalsContact NE-OD1 3.14Å; R282-T310 HydrophobicContact CG-CG2 4.08Å
283	Y	29.3	Very low	28.1	Very low	109 Å²	109	131.3 Å²	131.3	43%	0.427	63%	0.629	S	S	.	*			trans	-99.2	102.3	172.9	-82.4	-85	0	0	0	111.3
284	N	28.4	Very low	28.3	Very low	84 Å²	84	129.1 Å²	129.1	45%	0.449	62%	0.621	S	S	.	*			trans	-96.6	82.7	168	-71.2	-12.4	0	0	0	109	R282 P308	R282-N284 PolarHBondContact NE-OD1 3.41Å; R282-N284 VanDerWaalsContact NE-OD1 3.14Å; N284-P308 HydrophobicContact CB-CG 4.49Å
285	R	29.3	Very low	28.6	Very low	177 Å²	177	128.4 Å²	128.4	67%	0.668	61%	0.611	S	S	*	*			trans	-97.8	112.4	163.9	-98.9	-170.2	178.7	-172.1	0.8	108.7
286	I	29.1	Very low	28.9	Very low	145 Å²	145	124.9 Å²	124.9	74%	0.744	60%	0.601	S	S	*	*			trans	-71.7	127	166.3	-57.6	171	0	0	0	106.3	Q288	I286-Q288 PolarHBondContact O-N 2.87Å
287	P	29.3	Very low	28.8	Very low	104 Å²	104	129.6 Å²	129.6	68%	0.675	62%	0.617	S	S	*	*			trans	-55.4	136	173.4	-20.2	29.7	0	0	0	109.6	S289	P287-S289 PolarHBondContact O-N 3.44Å
288	Q	31.1	Very low	29.1	Very low	182 Å²	182	122.3 Å²	122.3	85%	0.85	60%	0.596	S	S	*	*			trans	-58.4	103.8	174.2	-77.9	-178.1	-12	0	0	108.9	I286 K290	I286-Q288 PolarHBondContact O-N 2.87Å; Q288-K290 PolarHBondContact O-N 2.91Å
289	S	33.1	Very low	29.1	Very low	55 Å²	55	126 Å²	126	39%	0.385	61%	0.605	S	S	.	*			trans	-69.1	123.3	168	62.3	0	0	0	0	107.5	P287 Y291 Q295	P287-S289 PolarHBondContact O-N 3.44Å; S289-Y291 PolarHBondContact O-N 3.08Å; S289-Q295 PolarHBondContact OG-OE1 3.44Å
290	K	31.1	Very low	29.2	Very low	197 Å²	197	130.1 Å²	130.1	86%	0.857	62%	0.624	S	S	*	*			trans	-50.5	113.7	165.4	-79.3	-178	175.1	180	0	107.2	Q288 N292	Q288-K290 PolarHBondContact O-N 2.91Å; K290-N292 PolarHBondContact O-N 3.34Å
291	Y	27.3	Very low	29.1	Very low	216 Å²	216	133 Å²	133	85%	0.847	63%	0.629	S	S	*	*			trans	-56.4	100.4	-176.8	-94.5	-95.9	0	0	0	110.2	S289	S289-Y291 PolarHBondContact O-N 3.08Å
292	N	28	Very low	29.1	Very low	121 Å²	121	129.9 Å²	129.9	65%	0.647	62%	0.622	S	S	*	*			trans	-111.6	124.3	160	-86.1	-15.3	0	0	0	107.5	K290 I294 Q295	K290-N292 PolarHBondContact O-N 3.34Å; N292-I294 PolarHBondContact O-N 2.94Å; N292-Q295 PolarHBondContact O-N 3.11Å; N292-Q295 VanDerWaalsContact O-N 3.14Å
293	S	29	Very low	29.1	Very low	114 Å²	114	128.7 Å²	128.7	80%	0.797	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-53.6	-7.3	-174.7	48.2	0	0	0	0	115.8
294	I	30.6	Very low	29.1	Very low	136 Å²	136	130.6 Å²	130.6	70%	0.697	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-84.6	-13.8	-179.8	-63.5	168.3	0	0	0	112.3	N292 N296	N292-I294 PolarHBondContact O-N 2.94Å; I294-N296 PolarHBondContact O-N 3.42Å
295	Q	31.8	Very low	29.1	Very low	95 Å²	95	131.8 Å²	131.8	44%	0.444	65%	0.652	S	S	.	*	G	3₁₀ helix	trans	-80.9	-9.3	-177.8	-74.8	-173	-13.4	0	0	115.8	S289 N292 Y297 N298 R299	S289-Q295 PolarHBondContact OG-OE1 3.44Å; N292-Q295 PolarHBondContact O-N 3.11Å; N292-Q295 VanDerWaalsContact O-N 3.14Å; Q295-Y297 VanDerWaalsContact C-N 3.26Å; Q295-Y297 PolarHBondContact O-N 2.9Å; Q295-N298 PolarHBondContact O-N 2.93Å; Q295-R299 PolarHBondContact O-N 3.43Å
296	N	31.3	Very low	29	Very low	116 Å²	116	130.1 Å²	130.1	62%	0.62	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-67	-26.6	177.6	-90.9	-10.8	0	0	0	113.2	I294	I294-N296 PolarHBondContact O-N 3.42Å
297	Y	24.8	Very low	29.4	Very low	206 Å²	206	126.9 Å²	126.9	81%	0.808	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-20.8	176.3	-83.9	-86.2	0	0	0	113.6	Q295	Q295-Y297 VanDerWaalsContact C-N 3.26Å; Q295-Y297 PolarHBondContact O-N 2.9Å
298	N	30.1	Very low	29.6	Very low	87 Å²	87	124.3 Å²	124.3	47%	0.465	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94	-6.1	178.8	-76.4	-16.9	0	0	0	113.8	Q295 V300 F301 N302	Q295-N298 PolarHBondContact O-N 2.93Å; N298-V300 VanDerWaalsContact C-N 3.3Å; N298-V300 PolarHBondContact O-N 3.39Å; N298-F301 PolarHBondContact O-N 3.29Å; N298-N302 VanDerWaalsContact O-CB 3.27Å; N298-N302 WeakPolarHBondContact O-CB 3.38Å; N298-N302 PolarHBondContact O-N 2.95Å
299	R	27.5	Very low	29.6	Very low	162 Å²	162	116.8 Å²	116.8	61%	0.611	58%	0.579	S	S	*	*	H	α-helix	trans	-66.3	-29.1	178	-95.5	-174.7	-179	178.5	2.3	113.7	Q295	Q295-R299 PolarHBondContact O-N 3.43Å
300	V	28.7	Very low	29.6	Very low	116 Å²	116	114.6 Å²	114.6	70%	0.703	56%	0.564	S	S	*	*	H	α-helix	trans	-81.2	-30.8	179.4	-175.9	0	0	0	0	111.4	N298	N298-V300 VanDerWaalsContact C-N 3.3Å; N298-V300 PolarHBondContact O-N 3.39Å
301	F	24.6	Very low	29.7	Very low	152 Å²	152	105.3 Å²	105.3	67%	0.667	52%	0.523	S	S	*	.	H	α-helix	trans	-92.4	-25.9	179.4	-90.6	-85.9	0	0	0	114.6	N298	N298-F301 PolarHBondContact O-N 3.29Å
302	N	28.5	Very low	30.1	Very low	75 Å²	75	95.9 Å²	95.9	40%	0.401	49%	0.487	S	S	.	.	H	α-helix	trans	-90.2	-7.3	177	-79.7	-14.5	0	0	0	114.4	N298 Q304 T305 Y306	N298-N302 VanDerWaalsContact O-CB 3.27Å; N298-N302 WeakPolarHBondContact O-CB 3.38Å; N298-N302 PolarHBondContact O-N 2.95Å; N302-Q304 PolarHBondContact O-N 2.81Å; N302-T305 PolarHBondContact O-N 3.46Å; N302-Y306 HydrophobicContact CB-CD2 4.24Å; N302-Y306 HydrophobicContact CB-CE2 4.44Å; N302-Y306 WeakPolarHBondContact O-CD2 3.2Å
303	A	29.1	Very low	30.3	Very low	53 Å²	53	92.6 Å²	92.6	44%	0.438	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.6	172.1	0	0	0	0	0	112.5
304	Q	27.6	Very low	30.5	Very low	150 Å²	150	88.5 Å²	88.5	70%	0.701	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-9.5	-179.3	-68.7	179.5	-21.6	0	0	114.2	N302	N302-Q304 PolarHBondContact O-N 2.81Å
305	T	29.2	Very low	30.5	Very low	108 Å²	108	86.7 Å²	86.7	66%	0.663	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.6	-2.2	-173.1	32.1	0	0	0	0	114.3	N302	N302-T305 PolarHBondContact O-N 3.46Å
306	Y	28.3	Very low	30.5	Very low	142 Å²	142	84 Å²	84	56%	0.557	42%	0.423	S	S	*	.			trans	-113.6	92.5	-179.2	-87	-97.3	0	0	0	111.2	N302	N302-Y306 HydrophobicContact CB-CD2 4.24Å; N302-Y306 HydrophobicContact CB-CE2 4.44Å; N302-Y306 WeakPolarHBondContact O-CD2 3.2Å
307	Q	35.5	Very low	30.4	Very low	78 Å²	78	84 Å²	84	36%	0.364	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-95.5	118.6	154.6	-89.6	-179.7	-4.4	0	0	108.4
308	P	34	Very low	30.7	Very low	49 Å²	49	79 Å²	79	32%	0.318	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-63.9	137.5	173.8	25	-31.1	0	0	0	110.2	N284 T310	N284-P308 HydrophobicContact CB-CG 4.49Å; P308-T310 PolarHBondContact O-N 3.13Å
309	S	32.4	Very low	30.5	Very low	25 Å²	25	79.5 Å²	79.5	18%	0.175	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-49.5	128.8	175.1	-52.3	0	0	0	0	110.4
310	T	33	Very low	30.5	Very low	9 Å²	9	78.4 Å²	78.4	6%	0.055	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	115.5	-179.3	-59.6	0	0	0	0	109.2	R282 P308 F312	R282-T310 HydrophobicContact CG-CG2 4.08Å; P308-T310 PolarHBondContact O-N 3.13Å; T310-F312 HydrophobicContact CG2-CD2 4.43Å; T310-F312 HydrophobicContact CG2-CE1 4.41Å; T310-F312 HydrophobicContact CG2-CE2 3.7Å; T310-F312 HydrophobicContact CG2-CZ 3.69Å
311	V	31.8	Very low	30.4	Very low	1 Å²	1	84 Å²	84	1%	0.006	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	136.2	175.3	179.5	0	0	0	0	109.9	F122 F126 V313	F122-V311 HydrophobicContact CE1-CG1 3.93Å; F122-V311 HydrophobicContact CZ-CG1 3.59Å; F126-V311 HydrophobicContact CD2-CG2 3.6Å; F126-V311 HydrophobicContact CE1-CG2 4.37Å; F126-V311 HydrophobicContact CE2-CB 4.41Å; F126-V311 HydrophobicContact CE2-CG2 2.94Å; F126-V311 HydrophobicContact CZ-CG2 3.37Å; V311-V313 HydrophobicContact CG1-CG2 4.28Å
312	F	35.6	Very low	30.6	Very low	19 Å²	19	82.2 Å²	82.2	8%	0.083	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	114.6	169.9	-60.9	-94.7	0	0	0	108.4	F23 I78 L80 V280 T310	F23-F312 HydrophobicContact CE2-CE1 4.02Å; F23-F312 HydrophobicContact CE2-CZ 4.13Å; F23-F312 HydrophobicContact CZ-CE1 4.38Å; F23-F312 HydrophobicContact CZ-CZ 4.02Å; I78-F312 PolarHBondContact O-N 3.39Å; L80-F312 HydrophobicContact CB-CE2 4.22Å; L80-F312 HydrophobicContact CD1-CD2 4.01Å; L80-F312 HydrophobicContact CD1-CE2 3.68Å; L80-F312 HydrophobicContact CD1-CZ 4.45Å; L80-F312 HydrophobicContact CG-CD2 4.29Å; L80-F312 HydrophobicContact CG-CE2 4.22Å; V280-F312 HydrophobicContact CB-CD1 4.47Å; V280-F312 HydrophobicContact CG1-CD1 3.39Å; V280-F312 HydrophobicContact CG1-CE1 3.56Å; V280-F312 HydrophobicContact CG2-CD1 4.39Å; T310-F312 HydrophobicContact CG2-CD2 4.43Å; T310-F312 HydrophobicContact CG2-CE1 4.41Å; T310-F312 HydrophobicContact CG2-CE2 3.7Å; T310-F312 HydrophobicContact CG2-CZ 3.69Å
313	V	33.5	Very low	30.6	Very low	51 Å²	51	89.1 Å²	89.1	31%	0.309	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	121.1	168.5	-178.9	0	0	0	0	107.5	F122 G279 V311	F122-V313 HydrophobicContact CE1-CG2 4.41Å; F122-V313 HydrophobicContact CZ-CG2 4.38Å; G279-V313 VanDerWaalsContact O-O 3.14Å; V311-V313 HydrophobicContact CG1-CG2 4.28Å
314	I	33.5	Very low	30.8	Very low	29 Å²	29	92.9 Å²	92.9	15%	0.149	47%	0.469	C	S	.	.			trans	-101.9	102.5	173.9	-59	175	0	0	0	107	L33 I78	L33-I314 HydrophobicContact CD2-CD1 4.09Å; L33-I314 HydrophobicContact CG-CD1 3.96Å; I78-I314 HydrophobicContact CD1-CD1 3.67Å; I78-I314 HydrophobicContact CG1-CD1 4.29Å
315	D	30.7	Very low	31.1	Very low	97 Å²	97	89 Å²	89	52%	0.519	46%	0.459	S	S	.	.			trans	-94.2	117.3	171.7	-162.7	11	0	0	0	108.9
316	C	29.9	Very low	31.2	Very low	40 Å²	40	91.1 Å²	91.1	27%	0.27	46%	0.46	S	S	.	.			trans	-100.3	98.3	175	-97.1	0	0	0	0	107.9	D318	C316-D318 PolarHBondContact O-N 2.83Å
317	Q	30.1	Very low	31.6	Very low	116 Å²	116	90.5 Å²	90.5	54%	0.542	47%	0.467	S	S	.	.			trans	-79.9	118	167.5	-71.2	-176.4	2.2	0	0	109.4	T319	Q317-T319 PolarHBondContact O-N 3.33Å; Q317-T319 VanDerWaalsContact O-N 3.13Å
318	D	30.2	Very low	31.6	Very low	100 Å²	100	92.1 Å²	92.1	54%	0.535	47%	0.473	S	S	.	.			trans	-67.3	104.9	163.4	-79.3	-29.5	0	0	0	108.3	C316 D320	C316-D318 PolarHBondContact O-N 2.83Å; D318-D320 PolarHBondContact O-N 3.42Å
319	T	27.4	Very low	31.5	Very low	97 Å²	97	97.1 Å²	97.1	60%	0.595	49%	0.485	S	S	*	.			trans	-79.1	64.2	163.7	53.9	0	0	0	0	108.6	Q317	Q317-T319 PolarHBondContact O-N 3.33Å; Q317-T319 VanDerWaalsContact O-N 3.13Å
320	D	27.2	Very low	31.5	Very low	140 Å²	140	100.9 Å²	100.9	75%	0.749	50%	0.503	S	S	*	.			trans	-88.9	128.3	162.3	-86.9	-16.1	0	0	0	108.8	D318 C322	D318-D320 PolarHBondContact O-N 3.42Å; D320-C322 PolarHBondContact O-N 2.82Å
321	Y	27.3	Very low	31.6	Very low	234 Å²	234	104 Å²	104	92%	0.918	52%	0.522	S	S	*	.			trans	-54.7	93.7	-177.1	-84.7	-105.1	0	0	0	111.9
322	C	28	Very low	31.9	Very low	113 Å²	113	109.6 Å²	109.6	76%	0.764	55%	0.552	S	S	*	*			trans	-129.3	125	152.8	-97.3	0	0	0	0	107.8	D320 E324	D320-C322 PolarHBondContact O-N 2.82Å; C322-E324 PolarHBondContact O-N 3.47Å
323	K	29.1	Very low	32	Very low	220 Å²	220	113.5 Å²	113.5	96%	0.957	57%	0.57	S	S	*	*			trans	-62	68.3	176.5	-68.4	173.7	175.5	174.4	0	110.5	S325	K323-S325 PolarHBondContact O-N 2.82Å
324	E	33.4	Very low	32.1	Very low	133 Å²	133	116.2 Å²	116.2	62%	0.621	58%	0.58	S	S	*	*			trans	-82	116	163.9	-79.5	-155.5	125.3	0	0	108.2	C322 H326 K328	C322-E324 PolarHBondContact O-N 3.47Å; E324-H326 PolarHBondContact O-N 3.43Å; E324-K328 IonicContact OE1-NZ 2.81Å; E324-K328 PolarHBondContact OE1-NZ 3.2Å
325	S	32.3	Very low	32.2	Very low	69 Å²	69	121.2 Å²	121.2	48%	0.483	60%	0.6	S	S	.	*			trans	-38.8	131.4	-176.8	55.3	0	0	0	0	112.5	K323 N327 K328	K323-S325 PolarHBondContact O-N 2.82Å; S325-N327 PolarHBondContact O-N 2.86Å; S325-K328 PolarHBondContact O-N 3.18Å
326	H	32.6	Very low	32.6	Very low	151 Å²	151	121.3 Å²	121.3	70%	0.699	60%	0.597	S	S	*	*	H	α-helix	trans	-45.3	-21.6	172.3	-128.2	-62.1	0	0	0	114	E324 L330	E324-H326 PolarHBondContact O-N 3.43Å; H326-L330 PolarHBondContact O-N 3.45Å
327	N	35.4	Very low	32.9	Very low	130 Å²	130	129.1 Å²	129.1	70%	0.695	62%	0.621	S	S	*	*	H	α-helix	trans	-71.7	-32.1	176	-66.7	-9.6	0	0	0	114.2	S325 W329 T331	S325-N327 PolarHBondContact O-N 2.86Å; N327-W329 VanDerWaalsContact C-N 3.35Å; N327-T331 PolarHBondContact O-N 3.38Å; N327-T331 PolarHBondContact O-OG1 2.86Å; N327-T331 VanDerWaalsContact O-OG1 3.11Å
328	K	35.6	Very low	33	Very low	112 Å²	112	128.3 Å²	128.3	49%	0.487	62%	0.617	S	S	.	*	H	α-helix	trans	-70.2	-34	175.5	-106.5	-177.1	177.8	-174.5	0	111.9	E324 S325 T331 N332	E324-K328 IonicContact OE1-NZ 2.81Å; E324-K328 PolarHBondContact OE1-NZ 3.2Å; S325-K328 PolarHBondContact O-N 3.18Å; K328-T331 VanDerWaalsContact C-OG1 3.3Å; K328-T331 VanDerWaalsContact CA-OG1 3.28Å; K328-T331 WeakPolarHBondContact CA-OG1 3.34Å; K328-T331 PolarHBondContact O-N 2.88Å; K328-T331 PolarHBondContact O-OG1 3.33Å; K328-N332 PolarHBondContact O-N 3.21Å
329	W	32.5	Very low	33.2	Very low	153 Å²	153	129.6 Å²	129.6	58%	0.58	62%	0.616	S	S	*	*	H	α-helix	trans	-69.7	-37.8	-178.9	-138.5	80.5	0	0	0	112	N327 H333	N327-W329 VanDerWaalsContact C-N 3.35Å; W329-H333 AromaticContact CE3-CD2 3.95Å; W329-H333 AromaticContact CH2-NE2 3.9Å; W329-H333 AromaticContact CZ3-CD2 3.8Å; W329-H333 AromaticContact CZ3-NE2 3.89Å
330	L	32.4	Very low	33.6	Very low	105 Å²	105	129.9 Å²	129.9	55%	0.55	61%	0.613	S	S	.	*	H	α-helix	trans	-66.8	-42.5	171.7	-108.7	86.8	0	0	0	112	H326 N332 H333 E334	H326-L330 PolarHBondContact O-N 3.45Å; L330-N332 PolarHBondContact O-N 3.39Å; L330-H333 PolarHBondContact O-N 3.48Å; L330-E334 WeakPolarHBondContact O-CB 3.42Å; L330-E334 PolarHBondContact O-N 3.04Å
331	T	36.4	Very low	33.9	Very low	75 Å²	75	126 Å²	126	46%	0.46	60%	0.597	S	S	.	*	H	α-helix	trans	-64.5	-37.2	-177.6	38.6	0	0	0	0	113.1	N327 K328 F335	N327-T331 PolarHBondContact O-N 3.38Å; N327-T331 PolarHBondContact O-OG1 2.86Å; N327-T331 VanDerWaalsContact O-OG1 3.11Å; K328-T331 VanDerWaalsContact C-OG1 3.3Å; K328-T331 VanDerWaalsContact CA-OG1 3.28Å; K328-T331 WeakPolarHBondContact CA-OG1 3.34Å; K328-T331 PolarHBondContact O-N 2.88Å; K328-T331 PolarHBondContact O-OG1 3.33Å; T331-F335 WeakPolarHBondContact O-CB 3.23Å; T331-F335 PolarHBondContact O-N 3.44Å
332	N	37.2	Very low	34.2	Very low	117 Å²	117	120.6 Å²	120.6	63%	0.626	58%	0.58	S	S	*	*	H	α-helix	trans	-70.7	-37.1	177.9	-80.9	-11.1	0	0	0	112.7	K328 L330 F335 H336	K328-N332 PolarHBondContact O-N 3.21Å; L330-N332 PolarHBondContact O-N 3.39Å; N332-F335 PolarHBondContact O-N 2.88Å; N332-H336 PolarHBondContact O-N 3.12Å
333	H	38.3	Very low	34.6	Very low	102 Å²	102	119 Å²	119	47%	0.472	57%	0.57	S	S	.	*	H	α-helix	trans	-72.5	-36.8	175.4	-92.4	-60.2	0	0	0	113	W329 L330 R337	W329-H333 AromaticContact CE3-CD2 3.95Å; W329-H333 AromaticContact CH2-NE2 3.9Å; W329-H333 AromaticContact CZ3-CD2 3.8Å; W329-H333 AromaticContact CZ3-NE2 3.89Å; L330-H333 PolarHBondContact O-N 3.48Å; H333-R337 WeakPolarHBondContact O-CB 3.49Å; H333-R337 PolarHBondContact O-N 3.08Å
334	E	35.8	Very low	34.8	Very low	108 Å²	108	117.5 Å²	117.5	51%	0.505	56%	0.559	S	S	.	*	H	α-helix	trans	-68.2	-37.4	170.2	-87.2	-168.5	142	0	0	111.9	L330 R337 Q338	L330-E334 WeakPolarHBondContact O-CB 3.42Å; L330-E334 PolarHBondContact O-N 3.04Å; E334-R337 PolarHBondContact O-N 3.29Å; E334-Q338 VanDerWaalsContact O-CB 3.25Å; E334-Q338 WeakPolarHBondContact O-CB 2.94Å; E334-Q338 VanDerWaalsContact O-CG 3.31Å; E334-Q338 WeakPolarHBondContact O-CG 3.43Å; E334-Q338 PolarHBondContact O-N 3Å
335	F	34.7	Very low	34.7	Very low	133 Å²	133	119.7 Å²	119.7	58%	0.583	57%	0.566	S	S	*	*	H	α-helix	trans	-64.2	-44.7	175	-151.6	-89.8	0	0	0	110.3	T331 N332 R337 Q338 Y339	T331-F335 WeakPolarHBondContact O-CB 3.23Å; T331-F335 PolarHBondContact O-N 3.44Å; N332-F335 PolarHBondContact O-N 2.88Å; F335-R337 PolarHBondContact O-N 3.38Å; F335-Q338 PolarHBondContact O-N 3.23Å; F335-Y339 HydrophobicContact CD1-CD2 4.39Å; F335-Y339 AromaticContact CE1-CD2 3.89Å; F335-Y339 HydrophobicContact CE1-CD2 3.89Å; F335-Y339 HydrophobicContact CE1-CE2 4.37Å; F335-Y339 WeakPolarHBondContact O-CB 3.34Å; F335-Y339 PolarHBondContact O-N 2.87Å
336	H	40	Very low	34.5	Very low	99 Å²	99	120.4 Å²	120.4	46%	0.458	57%	0.571	S	S	.	*	H	α-helix	trans	-63	-41.5	173.1	-94.1	-27.7	0	0	0	112.9	D119 N332 L340	D119-H336 IonicContact OD2-CE1 2.7Å; N332-H336 PolarHBondContact O-N 3.12Å; H336-L340 VanDerWaalsContact O-CB 3.26Å; H336-L340 WeakPolarHBondContact O-CB 3.36Å; H336-L340 WeakPolarHBondContact O-CD1 3.27Å; H336-L340 WeakPolarHBondContact O-CG 3.47Å; H336-L340 PolarHBondContact O-N 2.89Å
337	R	35.5	Very low	34.3	Very low	205 Å²	205	121.3 Å²	121.3	77%	0.774	58%	0.576	S	S	*	*	H	α-helix	trans	-62.4	-44.8	173.9	-103.1	-170.8	-177.8	-173.2	2.6	112.2	H333 E334 F335 S341	H333-R337 WeakPolarHBondContact O-CB 3.49Å; H333-R337 PolarHBondContact O-N 3.08Å; E334-R337 PolarHBondContact O-N 3.29Å; F335-R337 PolarHBondContact O-N 3.38Å; R337-S341 WeakPolarHBondContact O-CB 3.3Å; R337-S341 PolarHBondContact O-N 3.22Å
338	Q	32.7	Very low	34	Very low	98 Å²	98	123 Å²	123	46%	0.458	59%	0.585	S	S	.	*	H	α-helix	trans	-69.6	-41	-179.4	-76.4	-176.6	4.3	0	0	110.9	E334 F335 S341 Q342	E334-Q338 VanDerWaalsContact O-CB 3.25Å; E334-Q338 WeakPolarHBondContact O-CB 2.94Å; E334-Q338 VanDerWaalsContact O-CG 3.31Å; E334-Q338 WeakPolarHBondContact O-CG 3.43Å; E334-Q338 PolarHBondContact O-N 3Å; F335-Q338 PolarHBondContact O-N 3.23Å; Q338-S341 WeakPolarHBondContact CA-OG 3.15Å; Q338-S341 CarbonylContact O-C 3.47Å; Q338-S341 WeakPolarHBondContact O-CA 3.38Å; Q338-S341 PolarHBondContact O-N 2.92Å; Q338-S341 VanDerWaalsContact O-N 3.1Å; Q338-S341 PolarHBondContact O-OG 3.22Å; Q338-Q342 WeakPolarHBondContact O-CB 3.46Å; Q338-Q342 WeakPolarHBondContact O-CG 3.48Å; Q338-Q342 PolarHBondContact O-N 3.41Å
339	Y	34.5	Very low	33.6	Very low	127 Å²	127	123.9 Å²	123.9	50%	0.498	59%	0.594	S	S	.	*	H	α-helix	trans	-66	-39.5	176.2	-146.7	-94.2	0	0	0	111.4	F335 S341 Q342 S343	F335-Y339 HydrophobicContact CD1-CD2 4.39Å; F335-Y339 AromaticContact CE1-CD2 3.89Å; F335-Y339 HydrophobicContact CE1-CD2 3.89Å; F335-Y339 HydrophobicContact CE1-CE2 4.37Å; F335-Y339 WeakPolarHBondContact O-CB 3.34Å; F335-Y339 PolarHBondContact O-N 2.87Å; Y339-S341 VanDerWaalsContact C-N 3.29Å; Y339-S341 PolarHBondContact O-N 3.08Å; Y339-Q342 PolarHBondContact O-N 3Å; Y339-S343 VanDerWaalsContact O-CB 3.26Å; Y339-S343 WeakPolarHBondContact O-CB 3.17Å; Y339-S343 PolarHBondContact O-N 3.39Å; Y339-S343 PolarHBondContact O-OG 2.97Å
340	L	34.1	Very low	33.3	Very low	103 Å²	103	124.1 Å²	124.1	54%	0.539	61%	0.605	S	S	.	*	H	α-helix	trans	-68.1	-26.2	171.2	-72.7	167	0	0	0	113.1	H336 S343 R344	H336-L340 VanDerWaalsContact O-CB 3.26Å; H336-L340 WeakPolarHBondContact O-CB 3.36Å; H336-L340 WeakPolarHBondContact O-CD1 3.27Å; H336-L340 WeakPolarHBondContact O-CG 3.47Å; H336-L340 PolarHBondContact O-N 2.89Å; L340-S343 WeakPolarHBondContact CA-OG 3.34Å; L340-R344 WeakPolarHBondContact O-CD 3.49Å; L340-R344 VanDerWaalsContact O-CG 3.29Å; L340-R344 WeakPolarHBondContact O-CG 3.41Å
341	S	33.7	Very low	33	Very low	58 Å²	58	126.3 Å²	126.3	41%	0.406	61%	0.612	S	S	.	*	H	α-helix	trans	-82.7	-30.4	174.2	82.1	0	0	0	0	113.2	R337 Q338 Y339	R337-S341 WeakPolarHBondContact O-CB 3.3Å; R337-S341 PolarHBondContact O-N 3.22Å; Q338-S341 WeakPolarHBondContact CA-OG 3.15Å; Q338-S341 CarbonylContact O-C 3.47Å; Q338-S341 WeakPolarHBondContact O-CA 3.38Å; Q338-S341 PolarHBondContact O-N 2.92Å; Q338-S341 VanDerWaalsContact O-N 3.1Å; Q338-S341 PolarHBondContact O-OG 3.22Å; Y339-S341 VanDerWaalsContact C-N 3.29Å; Y339-S341 PolarHBondContact O-N 3.08Å
342	Q	34.6	Very low	32.5	Very low	121 Å²	121	127.1 Å²	127.1	57%	0.565	62%	0.621	S	S	*	*	H	α-helix	trans	-86.4	-36.9	-179.3	-76.8	180	2.3	0	0	112	Q338 Y339 R344 K345	Q338-Q342 WeakPolarHBondContact O-CB 3.46Å; Q338-Q342 WeakPolarHBondContact O-CG 3.48Å; Q338-Q342 PolarHBondContact O-N 3.41Å; Y339-Q342 PolarHBondContact O-N 3Å; Q342-R344 PolarHBondContact O-N 2.64Å; Q342-R344 VanDerWaalsContact O-N 3.16Å; Q342-K345 PolarHBondContact O-N 2.81Å
343	S	36.9	Very low	32	Very low	80 Å²	80	130.7 Å²	130.7	56%	0.559	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-11.8	168.4	53.3	0	0	0	0	113.2	Y339 L340	Y339-S343 VanDerWaalsContact O-CB 3.26Å; Y339-S343 WeakPolarHBondContact O-CB 3.17Å; Y339-S343 PolarHBondContact O-N 3.39Å; Y339-S343 PolarHBondContact O-OG 2.97Å; L340-S343 WeakPolarHBondContact CA-OG 3.34Å
344	R	31.7	Very low	31.5	Very low	189 Å²	189	131.2 Å²	131.2	71%	0.713	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-1.3	170.8	-74.9	-178.5	173.6	176	-0.2	114	L340 Q342	L340-R344 WeakPolarHBondContact O-CD 3.49Å; L340-R344 VanDerWaalsContact O-CG 3.29Å; L340-R344 WeakPolarHBondContact O-CG 3.41Å; Q342-R344 PolarHBondContact O-N 2.64Å; Q342-R344 VanDerWaalsContact O-N 3.16Å
345	K	31.2	Very low	31	Very low	178 Å²	178	133.7 Å²	133.7	77%	0.774	66%	0.66	S	S	*	*	S	Bend	trans	-111.9	13.8	-170.5	-99.1	-176.4	176.3	-177.9	0	116	Q342	Q342-K345 PolarHBondContact O-N 2.81Å
346	S	29	Very low	30.6	Very low	85 Å²	85	138.2 Å²	138.2	59%	0.594	67%	0.674	S	S	*	*	S	Bend	trans	-149.1	52	178.6	65.1	0	0	0	0	115.2
347	E	29.3	Very low	29.9	Very low	170 Å²	170	139.9 Å²	139.9	79%	0.794	69%	0.691	S	S	*	*	S	Bend	trans	-140.3	44.2	158.9	-88.9	-178	-165	0	0	110
348	N	28.2	Very low	29.7	Very low	165 Å²	165	134.4 Å²	134.4	88%	0.882	68%	0.684	S	S	*	*			trans	-133.3	53.1	158.5	-89.9	-29.4	0	0	0	107.2
349	L	27.1	Very low	29.4	Very low	131 Å²	131	137.4 Å²	137.4	69%	0.686	70%	0.703	S	S	*	*			trans	-99.9	104.2	156.6	-114	114.4	0	0	0	106.3	H351	L349-H351 PolarHBondContact O-N 3.46Å
350	I	26	Very low	29.2	Very low	157 Å²	157	139.1 Å²	139.1	81%	0.805	72%	0.72	S	S	*	*			trans	-59.9	87.6	158.6	-60.3	168.7	0	0	0	105.3	S352	I350-S352 PolarHBondContact O-N 3.39Å
351	H	26.6	Very low	28.9	Very low	152 Å²	152	143.8 Å²	143.8	70%	0.704	74%	0.736	S	S	*	*			trans	-74.1	91.8	155.1	-94.4	-62	0	0	0	106	L349 F353	L349-H351 PolarHBondContact O-N 3.46Å; H351-F353 PolarHBondContact O-N 2.99Å
352	S	26.2	Very low	28.9	Very low	91 Å²	91	145.4 Å²	145.4	64%	0.636	75%	0.747	S	S	*	*			trans	-41.3	110.6	158.7	46.5	0	0	0	0	108.9	I350	I350-S352 PolarHBondContact O-N 3.39Å
353	F	26.7	Very low	28.6	Very low	192 Å²	192	148.6 Å²	148.6	84%	0.842	76%	0.762	S	S	*	*			trans	-50.9	125.9	162.2	-92.2	-91.5	0	0	0	107.7	H351 N355	H351-F353 PolarHBondContact O-N 2.99Å; F353-N355 PolarHBondContact O-N 3.03Å
354	P	27	Very low	28.4	Very low	114 Å²	114	151.6 Å²	151.6	74%	0.74	78%	0.777	S	S	*	*			trans	-67.5	112.1	171	25.8	-28.1	0	0	0	107.6	R356	P354-R356 VanDerWaalsContact C-N 3.33Å; P354-R356 PolarHBondContact O-N 3.06Å
355	N	25.6	Very low	28.3	Very low	160 Å²	160	151.7 Å²	151.7	86%	0.856	78%	0.783	S	S	*	*			trans	-54.4	100.9	158.1	-92.3	-16.6	0	0	0	107.6	F353	F353-N355 PolarHBondContact O-N 3.03Å
356	R	26	Very low	28.2	Very low	228 Å²	228	148 Å²	148	86%	0.86	78%	0.779	S	S	*	*			trans	-103.1	79.2	166.6	-133.1	-177.1	-169.5	-166.2	3.3	108.4	P354 S358	P354-R356 VanDerWaalsContact C-N 3.33Å; P354-R356 PolarHBondContact O-N 3.06Å; R356-S358 PolarHBondContact O-N 3.38Å
357	T	25	Very low	28.3	Very low	133 Å²	133	154 Å²	154	82%	0.816	80%	0.795	S	S	*	*			trans	-67.8	114.2	151.4	44.9	0	0	0	0	107.7
358	S	31.9	Very low	28.3	Very low	91 Å²	91	156.5 Å²	156.5	64%	0.636	80%	0.797	S	S	*	*			trans	-146.1	106.9	158.8	58.4	0	0	0	0	110	R356	R356-S358 PolarHBondContact O-N 3.38Å
359	N	26.3	Very low	28.6	Very low	160 Å²	160	154.7 Å²	154.7	86%	0.856	79%	0.787	S	S	*	*			trans	-50.3	131.1	162.9	-67	-44.5	0	0	0	110.8
360	L	31	Very low	28.7	Very low	163 Å²	163	155 Å²	155	85%	0.853	79%	0.79	S	S	*	*			trans	-149.3	89.6	150.6	-113.2	123.8	0	0	0	110.4
361	K	27.7	Very low	29.3	Very low	202 Å²	202	155.8 Å²	155.8	88%	0.878	80%	0.795	S	S	*	*			trans	-64.6	125.6	148.2	-94.5	174.2	169.5	174.5	0	107.4
362	S	32.7	Very low	29.6	Very low	92 Å²	92	157.1 Å²	157.1	64%	0.643	80%	0.802	S	S	*	*				157.1	124.5	125.9	60.9	0	0	0	0	112.2
363	Q	29.3	Very low	30.1	Very low	187 Å²	187	158.9 Å²	158.9	87%	0.874	80%	0.804	S	S	*	*			trans	61.5	126.2	145.3	-61.8	178.8	-12.3	0	0	116.5
364	V	31.1	Very low	30.5	Very low	143 Å²	143	157 Å²	157	87%	0.867	80%	0.798	S	S	*	*				-155.3	138.7	70.3	165.5	0	0	0	0	110.3
365	K	31.4	Very low	30.9	Very low	192 Å²	192	157.7 Å²	157.7	84%	0.835	81%	0.805	S	S	*	*			trans	-76.4	160.1	176.8	-84.2	174.8	171.6	176.5	0	112.7
366	S	27.8	Very low	31.5	Very low	101 Å²	101	158.4 Å²	158.4	71%	0.706	80%	0.801	S	S	*	*			trans	70.4	118.6	150.7	72.5	0	0	0	0	118.3
367	F	32	Very low	31.9	Very low	211 Å²	211	153.9 Å²	153.9	93%	0.925	80%	0.799	S	S	*	*				-152.9	141.6	100.5	-107.6	-85.5	0	0	0	109.3
368	R	29.2	Very low	32.3	Very low	222 Å²	222	153.3 Å²	153.3	84%	0.838	80%	0.795	S	S	*	*			trans	-115.8	165	-172.8	-161.1	-174.7	-166.3	-178.4	1.7	107.5
369	N	33.3	Very low	32.4	Very low	126 Å²	126	155.9 Å²	155.9	67%	0.674	80%	0.799	S	S	*	*			trans	105.5	105	167.6	-55.7	1.9	0	0	0	111.7
370	D	30.4	Very low	32.7	Very low	139 Å²	139	156.1 Å²	156.1	74%	0.743	79%	0.792	S	S	*	*				89.8	114.4	77.3	-72.9	-25.4	0	0	0	108.8
371	D	37.6	Very low	32.9	Very low	172 Å²	172	154.5 Å²	154.5	92%	0.92	79%	0.789	S	S	*	*			trans	-172	120.6	135.2	-91.1	-26.1	0	0	0	110.3
372	E	33.7	Very low	32.9	Very low	181 Å²	181	154.1 Å²	154.1	85%	0.846	79%	0.79	S	S	*	*			trans	-67.7	148.3	167	-64.9	177.3	125.7	0	0	110.4
373	D	37.2	Very low	33	Very low	128 Å²	128	153.2 Å²	153.2	68%	0.684	80%	0.795	S	S	*	*				-177.9	124.4	107.1	-112.4	-25.7	0	0	0	115.1
374	Q	34.7	Very low	33.2	Very low	153 Å²	153	150.2 Å²	150.2	72%	0.715	79%	0.79	S	S	*	*			trans	26.2	128.2	137.8	-63.8	175.8	59.2	0	0	122.7
375	S	35.3	Very low	33.1	Very low	127 Å²	127	149.8 Å²	149.8	89%	0.888	78%	0.783	S	S	*	*				-159.9	137.1	111.9	57.7	0	0	0	0	113.3
376	K	37.4	Very low	33.1	Very low	176 Å²	176	148.1 Å²	148.1	77%	0.765	78%	0.783	S	S	*	*			trans	-87.4	164.4	-173.3	-71.6	165.9	173	164.6	0	112.4
377	T	35.2	Very low	33.2	Very low	133 Å²	133	153 Å²	153	82%	0.816	79%	0.787	S	S	*	*				163.8	94.6	122.8	-53.9	0	0	0	0	109
378	V	32.7	Very low	33.2	Very low	120 Å²	120	149.7 Å²	149.7	73%	0.727	78%	0.778	S	S	*	*				60.6	107.7	86.7	-175.5	0	0	0	0	116.7
379	M	33.9	Very low	33.1	Very low	146 Å²	146	147 Å²	147	72%	0.719	78%	0.781	S	S	*	*				177.6	126.1	114.8	-101.2	-141.3	-177.2	0	0	114.4
380	K	33.4	Very low	33.2	Very low	165 Å²	165	150 Å²	150	72%	0.717	79%	0.787	S	S	*	*			trans	52.8	138.9	133.7	-67.6	-174.5	-176.6	174.3	0	119.4
381	T	34.1	Very low	33.1	Very low	128 Å²	128	147.9 Å²	147.9	79%	0.785	78%	0.784	S	S	*	*			cis	-171.3	158.4	28.4	-4.8	0	0	0	0	110.7
382	H	28.8	Very low	32.7	Very low	195 Å²	195	146.5 Å²	146.5	90%	0.903	78%	0.775	S	S	*	*			trans	-47.5	150.7	177.2	-78.4	-65.8	0	0	0	119.5
383	G	34.8	Very low	32.7	Very low	73 Å²	73	145.9 Å²	145.9	75%	0.753	77%	0.772	S	S	*	*			trans	-172.4	73.7	162.2	0	0	0	0	0	114.4
384	T	32.4	Very low	32.2	Very low	123 Å²	123	151.5 Å²	151.5	76%	0.755	78%	0.784	S	S	*	*			trans	3.8	129.2	151.9	43.5	0	0	0	0	122.5
385	N	30	Very low	32.1	Very low	135 Å²	135	150.1 Å²	150.1	72%	0.722	79%	0.786	S	S	*	*				47.6	122.1	128.3	-65.1	-13.9	0	0	0	121.2
386	N	31.1	Very low	31.7	Very low	156 Å²	156	152.1 Å²	152.1	83%	0.834	79%	0.787	S	S	*	*				-176.7	143.5	100.2	-96.1	-26.8	0	0	0	114.8
387	Y	30.4	Very low	31.8	Very low	205 Å²	205	148.7 Å²	148.7	80%	0.804	79%	0.785	S	S	*	*			trans	-56	148	174.5	-77	-109.5	0	0	0	114.3
388	L	31.6	Very low	31.9	Very low	140 Å²	140	155.9 Å²	155.9	73%	0.733	81%	0.805	S	S	*	*				-169.4	108.9	114.3	-125.3	86.3	0	0	0	111.8	K390	L388-K390 HydrophobicContact CD2-CD 4.3Å; L388-K390 HydrophobicContact CD2-CG 4.22Å
389	N	27.5	Very low	31.8	Very low	167 Å²	167	157.7 Å²	157.7	89%	0.893	81%	0.809	S	S	*	*			trans	-64.1	126	151.8	-98.6	-30.1	0	0	0	108
390	K	35.2	Very low	31.7	Very low	187 Å²	187	158.3 Å²	158.3	81%	0.813	81%	0.814	S	S	*	*			trans	-123.5	118.8	161.7	-105.1	179.5	-178.4	-179.4	0	109.7	L388	L388-K390 HydrophobicContact CD2-CD 4.3Å; L388-K390 HydrophobicContact CD2-CG 4.22Å
391	S	28.8	Very low	31.6	Very low	96 Å²	96	157.9 Å²	157.9	67%	0.671	82%	0.82	S	S	*	*			trans	-100.2	164.3	-179.4	49	0	0	0	0	110
392	I	28	Very low	31.5	Very low	143 Å²	143	159.7 Å²	159.7	73%	0.733	82%	0.822	S	S	*	*			trans	71	121.9	154.7	-24.6	-179.8	0	0	0	117.6
393	Q	33.3	Very low	31.6	Very low	168 Å²	168	157.5 Å²	157.5	79%	0.785	82%	0.816	S	S	*	*				165.5	116.6	103.4	-88.3	-177.1	-17.9	0	0	111.9
394	R	27.3	Very low	31.4	Very low	245 Å²	245	163.1 Å²	163.1	93%	0.925	82%	0.821	S	S	*	*			trans	-67.7	136.2	156	-78.4	176.8	166.1	165.8	-4.7	108.4
395	T	33.6	Very low	31.3	Very low	125 Å²	125	166 Å²	166	77%	0.767	83%	0.825	S	S	*	*			trans	-134.4	117	155.4	41.8	0	0	0	0	108.5
396	N	26.7	Very low	31.4	Very low	168 Å²	168	168.4 Å²	168.4	90%	0.898	83%	0.833	S	S	*	*			trans	-78.2	140.5	158	-74.5	-16.4	0	0	0	107.4
397	S	38.2	Very low	31.5	Very low	104 Å²	104	169.4 Å²	169.4	73%	0.727	83%	0.833	S	S	*	*			trans	-150.1	118.9	159.1	58.7	0	0	0	0	110.5
398	F	37.2	Very low	31.6	Very low	285 Å²	285	166.2 Å²	166.2	100%	1.25	84%	0.836	S	S	*	*			trans	73.9	0	173.7	-68.3	-78.4	0	0	0	119.1

Retrieved 398 of 398 residues in 95.3 ms (Link to these results)

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