A0A087YDD0_POEFO Loading...

Calneuron 1

AlphaFold DB , UniProt , Accession A0A087YDD0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 218 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	34.7	Very low	41.3	Very low	237 Å²	237	143 Å²	143	100%	1.167	80%	0.803	S	S	*	*				0	154.3	0	-75.3	-164.2	-172.9	0	0	108.3
2	P	54.8	Low	40.9	Very low	84 Å²	84	148.7 Å²	148.7	55%	0.545	81%	0.805	S	S	.	*			cis	-148.7	177	-30	39.7	-22	0	0	0	115.6
3	F	36.4	Very low	41.4	Very low	177 Å²	177	152.5 Å²	152.5	78%	0.776	81%	0.809	S	S	*	*			trans	62.2	165.6	157.4	-46.1	-50.2	0	0	0	118.7
4	H	35.3	Very low	40.9	Very low	161 Å²	161	144 Å²	144	75%	0.745	78%	0.777	S	S	*	*			cis	-114.8	-160.4	-4.4	-69.3	-110.7	0	0	0	109.3
5	H	34.5	Very low	40.8	Very low	159 Å²	159	141.9 Å²	141.9	74%	0.736	77%	0.765	S	S	*	*			cis	-153.9	168.8	3.6	-132.8	-77.7	0	0	0	105.4
6	V	36.8	Very low	40.8	Very low	125 Å²	125	145.4 Å²	145.4	76%	0.758	77%	0.766	S	S	*	*			cis	-143.9	153.3	17.1	-171.8	0	0	0	0	110.1
7	T	44.3	Very low	40.8	Very low	132 Å²	132	147.5 Å²	147.5	81%	0.81	78%	0.776	S	S	*	*			trans	-82.4	128.7	170.2	-47	0	0	0	0	112
8	A	42.1	Very low	40.7	Very low	102 Å²	102	142.7 Å²	142.7	84%	0.843	76%	0.757	S	S	*	*			trans	-124.9	96.4	160.9	0	0	0	0	0	108.9	L10	A8-L10 PolarHBondContact O-N 2.81Å
9	G	45.3	Very low	40.4	Very low	75 Å²	75	146.8 Å²	146.8	77%	0.773	76%	0.761	S	S	*	*			trans	-80.7	114.1	172.7	0	0	0	0	0	109.9
10	L	40.4	Very low	40.3	Very low	165 Å²	165	144.5 Å²	144.5	86%	0.864	76%	0.758	S	S	*	*			trans	-138	112.1	161.3	-115.1	162.1	0	0	0	109.1	A8 Y12	A8-L10 PolarHBondContact O-N 2.81Å; L10-Y12 PolarHBondContact O-N 3.49Å
11	L	49.6	Very low	40.3	Very low	156 Å²	156	145 Å²	145	82%	0.817	76%	0.761	S	S	*	*			trans	-45.6	112.8	174.8	-72.8	141.4	0	0	0	111.7
12	Y	36.6	Very low	40.4	Very low	211 Å²	211	135.5 Å²	135.5	83%	0.827	72%	0.717	S	S	*	*			trans	-127.4	81.8	148	-127	-93.8	0	0	0	110.1	L10 G14	L10-Y12 PolarHBondContact O-N 3.49Å; Y12-G14 VanDerWaalsContact C-N 3.3Å; Y12-G14 PolarHBondContact O-N 3.16Å; Y12-G14 VanDerWaalsContact O-N 3.1Å
13	K	47.4	Very low	39.7	Very low	198 Å²	198	138.6 Å²	138.6	86%	0.861	73%	0.729	S	S	*	*			trans	-77.2	85.1	168.7	-169.9	-178.1	-175.4	-174.7	0	107.2
14	G	34.4	Very low	40	Very low	34 Å²	34	134.2 Å²	134.2	35%	0.351	72%	0.721	S	S	.	*			trans	-127.6	81.2	-175.6	0	0	0	0	0	111.6	Y12 Y16	Y12-G14 VanDerWaalsContact C-N 3.3Å; Y12-G14 PolarHBondContact O-N 3.16Å; Y12-G14 VanDerWaalsContact O-N 3.1Å; G14-Y16 WeakPolarHBondContact O-CD2 3.4Å; G14-Y16 PolarHBondContact O-N 2.59Å
15	N	39.9	Very low	40.3	Very low	112 Å²	112	130 Å²	130	60%	0.599	70%	0.703	S	S	*	*			trans	-65.9	117	170.3	-71	10.9	0	0	0	109.4	S18	N15-S18 PolarHBondContact ND2-OG 2.79Å
16	Y	40.7	Very low	40.7	Very low	198 Å²	198	126.1 Å²	126.1	78%	0.776	69%	0.694	S	S	*	*	S	Bend	trans	-112.6	1.9	167.5	-69	-77.4	0	0	0	113.5	G14	G14-Y16 WeakPolarHBondContact O-CD2 3.4Å; G14-Y16 PolarHBondContact O-N 2.59Å
17	L	40.5	Very low	41	Very low	181 Å²	181	125.7 Å²	125.7	95%	0.948	69%	0.688	S	S	*	*	S	Bend	trans	-123.3	27.4	171	-69.2	175.2	0	0	0	112.3
18	S	39	Very low	41.1	Very low	61 Å²	61	121.8 Å²	121.8	43%	0.427	66%	0.664	S	S	.	*			trans	-158.7	68.9	164.2	34.7	0	0	0	0	107.8	N15 S20	N15-S18 PolarHBondContact ND2-OG 2.79Å; S18-S20 PolarHBondContact O-N 3.32Å; S18-S20 VanDerWaalsContact O-N 3.09Å
19	R	35.5	Very low	41.2	Very low	222 Å²	222	121.7 Å²	121.7	84%	0.838	65%	0.648	S	S	*	*			trans	-72.3	92	149.7	-170.9	166.3	-172.4	124.5	-1.5	105	L21	R19-L21 PolarHBondContact O-N 2.79Å
20	S	37.4	Very low	41.3	Very low	99 Å²	99	121.9 Å²	121.9	69%	0.692	64%	0.643	S	S	*	*			trans	-47.4	132.8	165.2	-58.6	0	0	0	0	107.5	S18 S22	S18-S20 PolarHBondContact O-N 3.32Å; S18-S20 VanDerWaalsContact O-N 3.09Å; S20-S22 PolarHBondContact O-N 3Å; S20-S22 VanDerWaalsContact O-N 3.11Å
21	L	40	Very low	41.6	Very low	157 Å²	157	117.4 Å²	117.4	82%	0.822	63%	0.625	S	S	*	*			trans	-43	120.7	169.9	-62.8	164.7	0	0	0	107.8	R19	R19-L21 PolarHBondContact O-N 2.79Å
22	S	37.4	Very low	41.7	Very low	37 Å²	37	111 Å²	111	26%	0.259	59%	0.592	S	S	.	*			trans	-68.8	148.3	174.2	-18.6	0	0	0	0	107	S20 S24 D25 S26	S20-S22 PolarHBondContact O-N 3Å; S20-S22 VanDerWaalsContact O-N 3.11Å; S22-S24 PolarHBondContact O-N 3.37Å; S22-D25 VanDerWaalsContact CB-OD2 3.24Å; S22-D25 WeakPolarHBondContact CB-OD2 3.48Å; S22-D25 PolarHBondContact N-OD2 2.85Å; S22-D25 PolarHBondContact O-N 2.89Å; S22-D25 PolarHBondContact OG-OD2 3.19Å; S22-S26 PolarHBondContact O-N 2.82Å
23	D	40.6	Very low	42.6	Very low	149 Å²	149	103 Å²	103	80%	0.797	57%	0.566	S	S	*	*	H	α-helix	trans	-51.4	-30.2	169.9	-80.6	-23.5	0	0	0	111.5	D25 S26 D27	D23-D25 VanDerWaalsContact C-N 3.33Å; D23-D25 PolarHBondContact O-N 3Å; D23-S26 WeakPolarHBondContact O-CB 3.28Å; D23-S26 PolarHBondContact O-N 3.06Å; D23-D27 PolarHBondContact O-N 3.39Å
24	S	42.8	Very low	43	Very low	85 Å²	85	99.8 Å²	99.8	59%	0.594	56%	0.563	S	S	*	*	H	α-helix	trans	-62.1	-29.7	173.7	-46.8	0	0	0	0	115	S22 V28	S22-S24 PolarHBondContact O-N 3.37Å; S24-V28 WeakPolarHBondContact O-CG2 3.08Å
25	D	41.5	Very low	43.8	Very low	71 Å²	71	105.2 Å²	105.2	38%	0.38	58%	0.579	S	S	.	*	H	α-helix	trans	-82.7	-24.8	178.1	-54.9	-59.5	0	0	0	111.1	S22 D23 V28 L29	S22-D25 VanDerWaalsContact CB-OD2 3.24Å; S22-D25 WeakPolarHBondContact CB-OD2 3.48Å; S22-D25 PolarHBondContact N-OD2 2.85Å; S22-D25 PolarHBondContact O-N 2.89Å; S22-D25 PolarHBondContact OG-OD2 3.19Å; D23-D25 VanDerWaalsContact C-N 3.33Å; D23-D25 PolarHBondContact O-N 3Å; D25-V28 WeakPolarHBondContact O-CB 3.4Å; D25-V28 PolarHBondContact O-N 3.14Å; D25-L29 PolarHBondContact O-N 2.92Å
26	S	42.5	Very low	44.4	Very low	78 Å²	78	102.9 Å²	102.9	55%	0.545	57%	0.565	S	S	.	*	H	α-helix	trans	-68.7	-35.4	171.4	-169.5	0	0	0	0	112	S22 D23 V28 L29 A30	S22-S26 PolarHBondContact O-N 2.82Å; D23-S26 WeakPolarHBondContact O-CB 3.28Å; D23-S26 PolarHBondContact O-N 3.06Å; S26-V28 VanDerWaalsContact C-N 3.27Å; S26-V28 PolarHBondContact O-N 2.77Å; S26-L29 PolarHBondContact O-N 3.41Å; S26-A30 WeakPolarHBondContact O-CB 2.95Å; S26-A30 PolarHBondContact O-N 2.86Å
27	D	43.4	Very low	45.2	Very low	116 Å²	116	96.8 Å²	96.8	62%	0.62	55%	0.545	S	S	*	.	H	α-helix	trans	-68.2	-24.9	173	-90.4	-23.4	0	0	0	112.6	D23 A30 S31	D23-D27 PolarHBondContact O-N 3.39Å; D27-A30 PolarHBondContact O-N 3.16Å; D27-S31 WeakPolarHBondContact O-CB 3.44Å; D27-S31 PolarHBondContact O-N 2.93Å; D27-S31 PolarHBondContact O-OG 3.11Å
28	V	45.3	Very low	45.9	Very low	50 Å²	50	92.4 Å²	92.4	30%	0.303	52%	0.523	S	S	.	.	H	α-helix	trans	-70.1	-40.4	175.4	174.6	0	0	0	0	111	S24 D25 S26 S31 L105	S24-V28 WeakPolarHBondContact O-CG2 3.08Å; D25-V28 WeakPolarHBondContact O-CB 3.4Å; D25-V28 PolarHBondContact O-N 3.14Å; S26-V28 VanDerWaalsContact C-N 3.27Å; S26-V28 PolarHBondContact O-N 2.77Å; V28-S31 PolarHBondContact O-OG 2.8Å; V28-L105 HydrophobicContact CG1-CD1 3.49Å; V28-L105 VanDerWaalsContact CG1-CD1 3.49Å; V28-L105 WeakPolarHBondContact O-CD1 3.47Å
29	L	45.3	Very low	46.7	Very low	100 Å²	100	93.2 Å²	93.2	52%	0.524	52%	0.52	S	S	.	.	H	α-helix	trans	-71.6	-35.7	169.6	-86	105	0	0	0	112.6	D25 S26 S31 I32 M97	D25-L29 PolarHBondContact O-N 2.92Å; S26-L29 PolarHBondContact O-N 3.41Å; L29-S31 PolarHBondContact O-N 2.96Å; L29-I32 PolarHBondContact O-N 3.15Å; L29-M97 HydrophobicContact CD2-CE 3.95Å
30	A	46.5	Very low	47.7	Very low	79 Å²	79	83.2 Å²	83.2	65%	0.653	48%	0.483	S	S	*	.	H	α-helix	trans	-72.3	-9.2	180	0	0	0	0	0	114.3	S26 D27	S26-A30 WeakPolarHBondContact O-CB 2.95Å; S26-A30 PolarHBondContact O-N 2.86Å; D27-A30 PolarHBondContact O-N 3.16Å
31	S	46.6	Very low	48.9	Very low	71 Å²	71	84.7 Å²	84.7	50%	0.497	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-0.2	176.8	49.5	0	0	0	0	114.5	D27 V28 L29 S33	D27-S31 WeakPolarHBondContact O-CB 3.44Å; D27-S31 PolarHBondContact O-N 2.93Å; D27-S31 PolarHBondContact O-OG 3.11Å; V28-S31 PolarHBondContact O-OG 2.8Å; L29-S31 PolarHBondContact O-N 2.96Å; S31-S33 PolarHBondContact O-N 3.01Å
32	I	52.9	Low	49.8	Very low	23 Å²	23	81.6 Å²	81.6	12%	0.118	46%	0.455	C	S	.	.	S	Bend	trans	-63.6	115	163.6	-58.1	173.7	0	0	0	107.2	L29 E36 L37 M97 L105	L29-I32 PolarHBondContact O-N 3.15Å; I32-E36 HydrophobicContact CG2-CB 3.91Å; I32-L37 HydrophobicContact CG2-CB 4.07Å; I32-L37 HydrophobicContact CG2-CG 4.47Å; I32-M97 HydrophobicContact CD1-CG 4.34Å; I32-M97 HydrophobicContact CD1-SD 4.32Å; I32-L105 HydrophobicContact CG1-CD1 3.98Å
33	S	55.7	Low	50.7	Low	42 Å²	42	82 Å²	82	29%	0.294	46%	0.46	S	S	.	.			trans	-65.5	155.5	178.6	64.7	0	0	0	0	111	S31 E35 E36 L37	S31-S33 PolarHBondContact O-N 3.01Å; S33-E35 PolarHBondContact O-N 3.45Å; S33-E35 VanDerWaalsContact O-N 3.14Å; S33-E36 VanDerWaalsContact CB-OE2 3.27Å; S33-E36 WeakPolarHBondContact CB-OE2 3.36Å; S33-E36 PolarHBondContact N-OE2 3.02Å; S33-E36 PolarHBondContact O-N 2.89Å; S33-E36 WeakPolarHBondContact OG-CB 3.47Å; S33-E36 VanDerWaalsContact OG-CD 3.27Å; S33-E36 VanDerWaalsContact OG-CG 3.26Å; S33-E36 WeakPolarHBondContact OG-CG 3.4Å; S33-E36 PolarHBondContact OG-N 3.17Å; S33-E36 PolarHBondContact OG-OE2 3.33Å; S33-L37 WeakPolarHBondContact O-CB 3.44Å; S33-L37 PolarHBondContact O-N 2.97Å
34	V	55.7	Low	51.7	Low	130 Å²	130	75.5 Å²	75.5	79%	0.788	43%	0.425	S	S	*	.	H	α-helix	trans	-58.2	-29.3	177.5	-178.8	0	0	0	0	111.3	D38	V34-D38 PolarHBondContact O-N 3.1Å
35	E	50.9	Low	52.7	Low	149 Å²	149	76.5 Å²	76.5	70%	0.696	42%	0.418	S	S	*	.	H	α-helix	trans	-70.7	-51.1	176.8	-69.8	147.5	-162	0	0	111.2	S33 L37 D38 E39	S33-E35 PolarHBondContact O-N 3.45Å; S33-E35 VanDerWaalsContact O-N 3.14Å; E35-L37 VanDerWaalsContact C-N 3.28Å; E35-L37 PolarHBondContact O-N 3.24Å; E35-D38 PolarHBondContact O-N 3.4Å; E35-D38 VanDerWaalsContact O-N 3.16Å; E35-E39 PolarHBondContact O-N 3.41Å
36	E	52.2	Low	53.5	Low	63 Å²	63	78.3 Å²	78.3	29%	0.294	43%	0.432	S	S	.	.	H	α-helix	trans	-60.9	-35.5	174.8	-71.6	161.6	128.3	0	0	112.6	I32 S33 E39 I40	I32-E36 HydrophobicContact CG2-CB 3.91Å; S33-E36 VanDerWaalsContact CB-OE2 3.27Å; S33-E36 WeakPolarHBondContact CB-OE2 3.36Å; S33-E36 PolarHBondContact N-OE2 3.02Å; S33-E36 PolarHBondContact O-N 2.89Å; S33-E36 WeakPolarHBondContact OG-CB 3.47Å; S33-E36 VanDerWaalsContact OG-CD 3.27Å; S33-E36 VanDerWaalsContact OG-CG 3.26Å; S33-E36 WeakPolarHBondContact OG-CG 3.4Å; S33-E36 PolarHBondContact OG-N 3.17Å; S33-E36 PolarHBondContact OG-OE2 3.33Å; E36-E39 PolarHBondContact O-N 2.6Å; E36-I40 WeakPolarHBondContact O-CD1 3.35Å; E36-I40 WeakPolarHBondContact O-CG1 3.27Å; E36-I40 PolarHBondContact O-N 2.81Å
37	L	57.1	Low	54.4	Low	69 Å²	69	76.3 Å²	76.3	36%	0.361	42%	0.415	S	S	.	.	H	α-helix	trans	-67.6	-37.3	177.8	-151.9	159.1	0	0	0	111.2	I32 S33 E35 R41 F93	I32-L37 HydrophobicContact CG2-CB 4.07Å; I32-L37 HydrophobicContact CG2-CG 4.47Å; S33-L37 WeakPolarHBondContact O-CB 3.44Å; S33-L37 PolarHBondContact O-N 2.97Å; E35-L37 VanDerWaalsContact C-N 3.28Å; E35-L37 PolarHBondContact O-N 3.24Å; L37-R41 VanDerWaalsContact O-CB 3.27Å; L37-R41 WeakPolarHBondContact O-CB 3.34Å; L37-R41 PolarHBondContact O-N 3.21Å; L37-R41 VanDerWaalsContact O-N 3.1Å; L37-F93 HydrophobicContact CD2-CE1 4.49Å; L37-F93 HydrophobicContact CD2-CZ 4.35Å
38	D	55.8	Low	55.7	Low	89 Å²	89	71.6 Å²	71.6	48%	0.476	39%	0.389	S	S	.	.	H	α-helix	trans	-71.6	-38.7	174.4	-145.2	-123	0	0	0	111.5	V34 E35 R41 E42	V34-D38 PolarHBondContact O-N 3.1Å; E35-D38 PolarHBondContact O-N 3.4Å; E35-D38 VanDerWaalsContact O-N 3.16Å; D38-R41 WeakPolarHBondContact O-CB 3.13Å; D38-R41 PolarHBondContact O-N 3.01Å; D38-R41 VanDerWaalsContact O-N 3.15Å; D38-E42 PolarHBondContact O-N 3.49Å
39	E	55.3	Low	56.7	Low	79 Å²	79	75.3 Å²	75.3	37%	0.369	40%	0.398	S	S	.	.	H	α-helix	trans	-58.1	-48.7	172.5	-73.7	-177.3	-152.9	0	0	112.3	E35 E36 R41 E42 A43	E35-E39 PolarHBondContact O-N 3.41Å; E36-E39 PolarHBondContact O-N 2.6Å; E39-R41 PolarHBondContact O-N 2.79Å; E39-E42 PolarHBondContact O-N 3.38Å; E39-A43 WeakPolarHBondContact O-CB 3.49Å; E39-A43 PolarHBondContact O-N 2.62Å
40	I	56.9	Low	58.1	Low	11 Å²	11	75.9 Å²	75.9	6%	0.056	40%	0.402	C	S	.	.	H	α-helix	trans	-61.6	-35.6	176.5	-66.6	163.4	0	0	0	110.5	E36 A43 F44 F93 F96 L104	E36-I40 WeakPolarHBondContact O-CD1 3.35Å; E36-I40 WeakPolarHBondContact O-CG1 3.27Å; E36-I40 PolarHBondContact O-N 2.81Å; I40-A43 PolarHBondContact O-N 3.27Å; I40-F44 PolarHBondContact O-N 3.07Å; I40-F93 HydrophobicContact CG2-CE2 4.07Å; I40-F93 HydrophobicContact CG2-CZ 4.34Å; I40-F96 HydrophobicContact CG2-CD1 3.92Å; I40-F96 HydrophobicContact CG2-CE1 3.95Å; I40-L104 HydrophobicContact CD1-CD1 3.75Å; I40-L104 HydrophobicContact CG1-CD1 3.95Å
41	R	63.3	Low	59.8	Low	131 Å²	131	74.9 Å²	74.9	49%	0.494	40%	0.399	S	S	.	.	H	α-helix	trans	-73.1	-39.3	-179.9	-165	179.3	-160.9	-164.4	7.3	113.6	L37 D38 E39 F44 K45 F93	L37-R41 VanDerWaalsContact O-CB 3.27Å; L37-R41 WeakPolarHBondContact O-CB 3.34Å; L37-R41 PolarHBondContact O-N 3.21Å; L37-R41 VanDerWaalsContact O-N 3.1Å; D38-R41 WeakPolarHBondContact O-CB 3.13Å; D38-R41 PolarHBondContact O-N 3.01Å; D38-R41 VanDerWaalsContact O-N 3.15Å; E39-R41 PolarHBondContact O-N 2.79Å; R41-F44 PolarHBondContact O-N 3.34Å; R41-K45 WeakPolarHBondContact O-CG 3.25Å; R41-K45 PolarHBondContact O-N 2.69Å; R41-K45 VanDerWaalsContact O-N 3.1Å; R41-F93 HydrophobicContact CB-CE2 4.08Å; R41-F93 HydrophobicContact CB-CZ 4.14Å; R41-F93 HydrophobicContact CG-CE2 4.21Å; R41-F93 HydrophobicContact CG-CZ 4.33Å
42	E	57.7	Low	61.6	Low	92 Å²	92	74.6 Å²	74.6	43%	0.43	39%	0.392	S	S	.	.	H	α-helix	trans	-67	-38.6	171.9	-70.5	-57.7	115.3	0	0	111	D38 E39 F44 K45 V46	D38-E42 PolarHBondContact O-N 3.49Å; E39-E42 PolarHBondContact O-N 3.38Å; E42-F44 VanDerWaalsContact C-N 3.34Å; E42-F44 PolarHBondContact O-N 2.73Å; E42-K45 PolarHBondContact O-N 3.43Å; E42-K45 WeakPolarHBondContact OE1-CD 3.38Å; E42-K45 WeakPolarHBondContact OE1-CE 3.44Å; E42-K45 IonicContact OE1-NZ 2.59Å; E42-K45 PolarHBondContact OE1-NZ 2.65Å; E42-V46 WeakPolarHBondContact O-CG2 3.43Å; E42-V46 PolarHBondContact O-N 3.23Å
43	A	57.8	Low	63.1	Low	45 Å²	45	75 Å²	75	37%	0.372	40%	0.402	S	S	.	.	H	α-helix	trans	-60.1	-42.6	172.4	0	0	0	0	0	112.3	E39 I40 V46 L47	E39-A43 WeakPolarHBondContact O-CB 3.49Å; E39-A43 PolarHBondContact O-N 2.62Å; I40-A43 PolarHBondContact O-N 3.27Å; A43-V46 PolarHBondContact O-N 3.44Å; A43-L47 PolarHBondContact O-N 2.95Å
44	F	60.4	Low	64.6	Low	12 Å²	12	76.7 Å²	76.7	5%	0.053	41%	0.405	C	S	.	.	H	α-helix	trans	-60.3	-46.6	175.7	-171.6	-88	0	0	0	112.2	I40 R41 E42 V46 L47 D48 G53 I55 F93 F96	I40-F44 PolarHBondContact O-N 3.07Å; R41-F44 PolarHBondContact O-N 3.34Å; E42-F44 VanDerWaalsContact C-N 3.34Å; E42-F44 PolarHBondContact O-N 2.73Å; F44-V46 PolarHBondContact O-N 3.27Å; F44-V46 VanDerWaalsContact O-N 3.17Å; F44-L47 WeakPolarHBondContact O-CA 3.39Å; F44-L47 WeakPolarHBondContact O-CB 3.42Å; F44-L47 PolarHBondContact O-N 3.37Å; F44-D48 HydrophobicContact CD1-CB 4.13Å; F44-D48 HydrophobicContact CE1-CB 3.85Å; F44-D48 PolarHBondContact O-N 3.23Å; F44-G53 VanDerWaalsContact CZ-O 3.29Å; F44-G53 WeakPolarHBondContact CZ-O 3.34Å; F44-I55 HydrophobicContact CD2-CD1 3.65Å; F44-I55 HydrophobicContact CD2-CG1 4.18Å; F44-I55 HydrophobicContact CE2-CD1 3.58Å; F44-I55 HydrophobicContact CE2-CG1 3.74Å; F44-I55 HydrophobicContact CG-CD1 4.46Å; F44-I55 HydrophobicContact CZ-CD1 4.33Å; F44-I55 HydrophobicContact CZ-CG1 3.99Å; F44-F93 HydrophobicContact CB-CD2 3.95Å; F44-F93 HydrophobicContact CB-CE2 4.18Å; F44-F93 HydrophobicContact CD1-CD2 4.26Å; F44-F93 HydrophobicContact CD2-CB 4.43Å; F44-F93 AromaticContact CD2-CD2 3.84Å; F44-F93 HydrophobicContact CD2-CD2 3.84Å; F44-F93 HydrophobicContact CE2-CB 4.17Å; F44-F93 HydrophobicContact CE2-CD2 4.41Å; F44-F93 AromaticContact CG-CD2 3.75Å; F44-F93 HydrophobicContact CG-CD2 3.75Å; F44-F93 HydrophobicContact CG-CE2 4.47Å; F44-F93 HydrophobicContact CZ-CB 4.25Å; F44-F96 HydrophobicContact CB-CD1 4.27Å; F44-F96 HydrophobicContact CB-CE1 4.14Å; F44-F96 HydrophobicContact CD2-CB 3.96Å; F44-F96 AromaticContact CD2-CD1 3.79Å; F44-F96 HydrophobicContact CD2-CD1 3.79Å; F44-F96 HydrophobicContact CD2-CD2 4.38Å; F44-F96 HydrophobicContact CD2-CE1 4.32Å; F44-F96 AromaticContact CD2-CG 3.81Å; F44-F96 HydrophobicContact CD2-CG 3.81Å; F44-F96 HydrophobicContact CE2-CB 4.14Å; F44-F96 HydrophobicContact CE2-CG 4.41Å
45	K	63.6	Low	65.6	Low	106 Å²	106	70.8 Å²	70.8	46%	0.461	37%	0.368	S	S	.	.	H	α-helix	trans	-63.1	-18.2	176.8	-69.9	170.9	-174.2	167.8	0	114.8	R41 E42 D48	R41-K45 WeakPolarHBondContact O-CG 3.25Å; R41-K45 PolarHBondContact O-N 2.69Å; R41-K45 VanDerWaalsContact O-N 3.1Å; E42-K45 PolarHBondContact O-N 3.43Å; E42-K45 WeakPolarHBondContact OE1-CD 3.38Å; E42-K45 WeakPolarHBondContact OE1-CE 3.44Å; E42-K45 IonicContact OE1-NZ 2.59Å; E42-K45 PolarHBondContact OE1-NZ 2.65Å; K45-D48 VanDerWaalsContact O-O 3.11Å
46	V	59.8	Low	67.2	Low	110 Å²	110	64.4 Å²	64.4	67%	0.667	34%	0.34	S	S	*	.	H	α-helix	trans	-82.8	-22.5	174.4	171.2	0	0	0	0	111.3	E42 A43 F44	E42-V46 WeakPolarHBondContact O-CG2 3.43Å; E42-V46 PolarHBondContact O-N 3.23Å; A43-V46 PolarHBondContact O-N 3.44Å; F44-V46 PolarHBondContact O-N 3.27Å; F44-V46 VanDerWaalsContact O-N 3.17Å
47	L	60.3	Low	68.6	Low	35 Å²	35	64.2 Å²	64.2	18%	0.183	34%	0.338	C	S	.	.	H	α-helix	trans	-89.8	-49.3	177.2	-71.1	153.2	0	0	0	111.5	A43 F44 R49 I55 A63 F96	A43-L47 PolarHBondContact O-N 2.95Å; F44-L47 WeakPolarHBondContact O-CA 3.39Å; F44-L47 WeakPolarHBondContact O-CB 3.42Å; F44-L47 PolarHBondContact O-N 3.37Å; L47-R49 PolarHBondContact O-N 2.79Å; L47-I55 HydrophobicContact CB-CD1 3.57Å; L47-I55 HydrophobicContact CB-CG1 3.81Å; L47-I55 HydrophobicContact CB-CG2 4.26Å; L47-I55 HydrophobicContact CD1-CD1 3.88Å; L47-I55 HydrophobicContact CG-CD1 4.27Å; L47-A63 HydrophobicContact CD2-CB 3.57Å; L47-F96 HydrophobicContact CD1-CE2 3.57Å; L47-F96 HydrophobicContact CD1-CZ 3.64Å
48	D	70	Confident	69.7	Low	17 Å²	17	67.8 Å²	67.8	9%	0.091	35%	0.353	C	S	.	.			trans	-70.1	99.1	171.1	173.8	8.5	0	0	0	109.6	F44 K45 G51 N52 G53	F44-D48 HydrophobicContact CD1-CB 4.13Å; F44-D48 HydrophobicContact CE1-CB 3.85Å; F44-D48 PolarHBondContact O-N 3.23Å; K45-D48 VanDerWaalsContact O-O 3.11Å; D48-G51 WeakPolarHBondContact OD1-CA 3.26Å; D48-G51 PolarHBondContact OD1-N 2.94Å; D48-N52 PolarHBondContact OD1-N 2.73Å; D48-G53 WeakPolarHBondContact OD2-CA 3.33Å; D48-G53 PolarHBondContact OD2-N 3.17Å
49	R	66.3	Low	70.7	Confident	129 Å²	129	64 Å²	64	49%	0.487	33%	0.333	S	S	.	.	S	Bend	trans	-95.5	-28.3	-171.3	-75	-173.7	174.3	-172	-0.5	113.4	L47 E59 M62 S66	L47-R49 PolarHBondContact O-N 2.79Å; R49-E59 HydrophobicContact CB-CG 4.4Å; R49-E59 PolarHBondContact N-OE1 2.82Å; R49-M62 PolarHBondContact NH1-SD 3.47Å; R49-M62 VanDerWaalsContact NH1-SD 3.44Å; R49-S66 PolarHBondContact NH2-OG 3.33Å
50	D	76.4	Confident	71.3	Confident	111 Å²	111	60.9 Å²	60.9	59%	0.594	32%	0.318	S	S	*	.	S	Bend	trans	-86.6	-11.8	173.8	72.5	3.1	0	0	0	112.4	N52 E59	D50-N52 WeakPolarHBondContact OD1-CB 3.12Å; D50-N52 PolarHBondContact OD1-N 2.96Å; D50-N52 PolarHBondContact OD1-ND2 3.18Å; D50-N52 PolarHBondContact OD2-ND2 2.74Å; D50-E59 PolarHBondContact N-OE1 3.48Å
51	G	82.4	Confident	71.7	Confident	59 Å²	59	60.3 Å²	60.3	61%	0.608	32%	0.316	S	S	*	.			trans	78.1	24.4	177	0	0	0	0	0	112.8	D48 G53	D48-G51 WeakPolarHBondContact OD1-CA 3.26Å; D48-G51 PolarHBondContact OD1-N 2.94Å; G51-G53 VanDerWaalsContact C-N 3.31Å
52	N	83.5	Confident	71.6	Confident	65 Å²	65	57.9 Å²	57.9	35%	0.348	31%	0.311	S	S	.	.	S	Bend	trans	-79.2	-12.1	-174.8	74	34.7	0	0	0	113.5	D48 D50 F54	D48-N52 PolarHBondContact OD1-N 2.73Å; D50-N52 WeakPolarHBondContact OD1-CB 3.12Å; D50-N52 PolarHBondContact OD1-N 2.96Å; D50-N52 PolarHBondContact OD1-ND2 3.18Å; D50-N52 PolarHBondContact OD2-ND2 2.74Å; N52-F54 WeakPolarHBondContact O-CD2 3.36Å; N52-F54 WeakPolarHBondContact OD1-CA 3.45Å; N52-F54 VanDerWaalsContact OD1-CB 3.26Å; N52-F54 WeakPolarHBondContact OD1-CB 3.49Å; N52-F54 WeakPolarHBondContact OD1-CD2 3.26Å; N52-F54 PolarHBondContact OD1-N 2.61Å; N52-F54 PolarHBondContact OD1-O 2.85Å; N52-F54 VanDerWaalsContact OD1-O 3.11Å
53	G	84.1	Confident	71.7	Confident	32 Å²	32	54 Å²	54	33%	0.33	30%	0.295	S	S	.	.	S	Bend	trans	94.1	6.3	-177.9	0	0	0	0	0	115	F44 D48 G51	F44-G53 VanDerWaalsContact CZ-O 3.29Å; F44-G53 WeakPolarHBondContact CZ-O 3.34Å; D48-G53 WeakPolarHBondContact OD2-CA 3.33Å; D48-G53 PolarHBondContact OD2-N 3.17Å; G51-G53 VanDerWaalsContact C-N 3.31Å
54	F	86.3	Confident	71.6	Confident	77 Å²	77	52 Å²	52	34%	0.338	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-138.1	151.6	-177.3	-53.8	-93	0	0	0	110.4	N52 Q90 V91 D92	N52-F54 WeakPolarHBondContact O-CD2 3.36Å; N52-F54 WeakPolarHBondContact OD1-CA 3.45Å; N52-F54 VanDerWaalsContact OD1-CB 3.26Å; N52-F54 WeakPolarHBondContact OD1-CB 3.49Å; N52-F54 WeakPolarHBondContact OD1-CD2 3.26Å; N52-F54 PolarHBondContact OD1-N 2.61Å; N52-F54 PolarHBondContact OD1-O 2.85Å; N52-F54 VanDerWaalsContact OD1-O 3.11Å; F54-Q90 HydrophobicContact CB-CB 4.03Å; F54-V91 CarbonylContact C-O 3.53Å; F54-V91 WeakPolarHBondContact CA-O 3.37Å; F54-D92 HydrophobicContact CD1-CB 3.76Å; F54-D92 HydrophobicContact CE1-CB 3.82Å
55	I	78.1	Confident	71.4	Confident	5 Å²	5	56.6 Å²	56.6	3%	0.026	30%	0.295	C	S	.	.			trans	-102.5	108.7	174.2	-57.5	165.4	0	0	0	108.6	F44 L47 E59 L60 V91 F96	F44-I55 HydrophobicContact CD2-CD1 3.65Å; F44-I55 HydrophobicContact CD2-CG1 4.18Å; F44-I55 HydrophobicContact CE2-CD1 3.58Å; F44-I55 HydrophobicContact CE2-CG1 3.74Å; F44-I55 HydrophobicContact CG-CD1 4.46Å; F44-I55 HydrophobicContact CZ-CD1 4.33Å; F44-I55 HydrophobicContact CZ-CG1 3.99Å; L47-I55 HydrophobicContact CB-CD1 3.57Å; L47-I55 HydrophobicContact CB-CG1 3.81Å; L47-I55 HydrophobicContact CB-CG2 4.26Å; L47-I55 HydrophobicContact CD1-CD1 3.88Å; L47-I55 HydrophobicContact CG-CD1 4.27Å; I55-E59 HydrophobicContact CG2-CB 4.37Å; I55-L60 HydrophobicContact CG2-CB 4.15Å; I55-V91 HydrophobicContact CB-CB 4.29Å; I55-V91 PolarHBondContact N-O 3.05Å; I55-V91 PolarHBondContact O-N 3.2Å; I55-F96 HydrophobicContact CD1-CD2 3.9Å; I55-F96 HydrophobicContact CD1-CE2 4.08Å
56	S	84.3	Confident	70.4	Confident	16 Å²	16	54.8 Å²	54.8	11%	0.112	30%	0.296	C	S	.	.			trans	-73.2	158.2	175.7	68.7	0	0	0	0	112.6	Q58 E59 L60	S56-Q58 PolarHBondContact O-N 2.95Å; S56-Q58 PolarHBondContact OG-N 3.1Å; S56-E59 VanDerWaalsContact CB-OE2 3.25Å; S56-E59 WeakPolarHBondContact CB-OE2 3.5Å; S56-E59 PolarHBondContact N-OE2 2.98Å; S56-E59 PolarHBondContact O-N 3.35Å; S56-E59 WeakPolarHBondContact OG-CB 3.49Å; S56-E59 WeakPolarHBondContact OG-CG 3.26Å; S56-E59 PolarHBondContact OG-N 2.97Å; S56-E59 VanDerWaalsContact OG-N 3.1Å; S56-E59 PolarHBondContact OG-OE2 3.02Å; S56-L60 WeakPolarHBondContact O-CB 3.37Å; S56-L60 PolarHBondContact O-N 3.04Å
57	K	81.3	Confident	69.7	Low	58 Å²	58	51.1 Å²	51.1	25%	0.252	27%	0.272	S	S	.	.	H	α-helix	trans	-51.2	-32.7	168.8	-169.5	-171.7	-176	-169.2	0	112.5	G61 E73 L76 M80	K57-G61 PolarHBondContact O-N 2.97Å; K57-E73 WeakPolarHBondContact CE-OE2 3.32Å; K57-E73 PolarHBondContact NZ-O 2.72Å; K57-E73 IonicContact NZ-OE2 2.64Å; K57-E73 PolarHBondContact NZ-OE2 2.83Å; K57-L76 VanDerWaalsContact CE-CB 3.48Å; K57-L76 HydrophobicContact CG-CB 4.32Å; K57-L76 HydrophobicContact CG-CD2 4.32Å; K57-M80 HydrophobicContact CB-CG 4.49Å; K57-M80 HydrophobicContact CB-SD 3.95Å; K57-M80 HydrophobicContact CG-SD 4.43Å
58	Q	81.3	Confident	68.8	Low	145 Å²	145	52.2 Å²	52.2	68%	0.678	29%	0.291	S	S	*	.	H	α-helix	trans	-74.6	-38.7	-178.8	-69.3	143.8	0.7	0	0	111.7	S56 M62	S56-Q58 PolarHBondContact O-N 2.95Å; S56-Q58 PolarHBondContact OG-N 3.1Å; Q58-M62 WeakPolarHBondContact O-CB 3.23Å; Q58-M62 PolarHBondContact O-N 3.37Å
59	E	76.3	Confident	67.6	Low	10 Å²	10	55.8 Å²	55.8	5%	0.047	30%	0.304	C	S	.	.	H	α-helix	trans	-72.7	-44.4	175.1	-75.1	162.2	124	0	0	112.3	R49 D50 I55 S56 G61 M62 A63	R49-E59 HydrophobicContact CB-CG 4.4Å; R49-E59 PolarHBondContact N-OE1 2.82Å; D50-E59 PolarHBondContact N-OE1 3.48Å; I55-E59 HydrophobicContact CG2-CB 4.37Å; S56-E59 VanDerWaalsContact CB-OE2 3.25Å; S56-E59 WeakPolarHBondContact CB-OE2 3.5Å; S56-E59 PolarHBondContact N-OE2 2.98Å; S56-E59 PolarHBondContact O-N 3.35Å; S56-E59 WeakPolarHBondContact OG-CB 3.49Å; S56-E59 WeakPolarHBondContact OG-CG 3.26Å; S56-E59 PolarHBondContact OG-N 2.97Å; S56-E59 VanDerWaalsContact OG-N 3.1Å; S56-E59 PolarHBondContact OG-OE2 3.02Å; E59-G61 VanDerWaalsContact C-N 3.28Å; E59-G61 PolarHBondContact O-N 3.33Å; E59-M62 CarbonylContact O-C 3.16Å; E59-M62 WeakPolarHBondContact O-CA 3.29Å; E59-M62 PolarHBondContact O-N 3.48Å; E59-A63 WeakPolarHBondContact O-CB 3.43Å; E59-A63 PolarHBondContact O-N 3.07Å
60	L	68.1	Low	66.9	Low	12 Å²	12	57.1 Å²	57.1	6%	0.063	32%	0.318	C	S	.	.	H	α-helix	trans	-53.8	-47.9	169.4	179.2	62.4	0	0	0	110.5	I55 S56 M62 A63 M64 L76 I79 M80 L83	I55-L60 HydrophobicContact CG2-CB 4.15Å; S56-L60 WeakPolarHBondContact O-CB 3.37Å; S56-L60 PolarHBondContact O-N 3.04Å; L60-M62 PolarHBondContact O-N 2.76Å; L60-A63 PolarHBondContact O-N 2.88Å; L60-M64 HydrophobicContact CG-SD 4.4Å; L60-M64 WeakPolarHBondContact O-CB 3.45Å; L60-M64 VanDerWaalsContact O-CG 3.25Å; L60-M64 WeakPolarHBondContact O-CG 3.49Å; L60-M64 PolarHBondContact O-N 3.24Å; L60-L76 HydrophobicContact CB-CD2 4.26Å; L60-L76 HydrophobicContact CD2-CD2 4Å; L60-L76 HydrophobicContact CG-CD2 3.9Å; L60-I79 HydrophobicContact CD2-CG2 3.91Å; L60-M80 HydrophobicContact CD2-SD 4.07Å; L60-L83 HydrophobicContact CD2-CD1 4.24Å
61	G	63.8	Low	65.9	Low	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.8	-35.2	174.7	0	0	0	0	0	113.7	K57 E59 R65	K57-G61 PolarHBondContact O-N 2.97Å; E59-G61 VanDerWaalsContact C-N 3.28Å; E59-G61 PolarHBondContact O-N 3.33Å; G61-R65 VanDerWaalsContact C-NH2 3.31Å; G61-R65 VanDerWaalsContact O-CB 3.3Å; G61-R65 WeakPolarHBondContact O-CB 3.27Å; G61-R65 VanDerWaalsContact O-CG 3.24Å; G61-R65 WeakPolarHBondContact O-CG 3.26Å; G61-R65 VanDerWaalsContact O-CZ 3.29Å; G61-R65 PolarHBondContact O-N 3.23Å; G61-R65 PolarHBondContact O-NE 3.46Å; G61-R65 VanDerWaalsContact O-NE 3.09Å
62	M	61.6	Low	64.8	Low	79 Å²	79	52 Å²	52	39%	0.389	28%	0.282	S	S	.	.	H	α-helix	trans	-70.6	-38.6	175.3	-112.7	-174.2	-67.6	0	0	112.1	R49 Q58 E59 L60 S66	R49-M62 PolarHBondContact NH1-SD 3.47Å; R49-M62 VanDerWaalsContact NH1-SD 3.44Å; Q58-M62 WeakPolarHBondContact O-CB 3.23Å; Q58-M62 PolarHBondContact O-N 3.37Å; E59-M62 CarbonylContact O-C 3.16Å; E59-M62 WeakPolarHBondContact O-CA 3.29Å; E59-M62 PolarHBondContact O-N 3.48Å; L60-M62 PolarHBondContact O-N 2.76Å; M62-S66 VanDerWaalsContact O-CB 3.28Å; M62-S66 WeakPolarHBondContact O-CB 3.22Å; M62-S66 PolarHBondContact O-N 3.14Å; M62-S66 PolarHBondContact O-OG 3.46Å
63	A	60	Low	64.3	Low	11 Å²	11	54.8 Å²	54.8	9%	0.091	29%	0.292	C	S	.	.	H	α-helix	trans	-61.1	-59.9	173	0	0	0	0	0	108.5	L47 E59 L60 R65 S66 L67	L47-A63 HydrophobicContact CD2-CB 3.57Å; E59-A63 WeakPolarHBondContact O-CB 3.43Å; E59-A63 PolarHBondContact O-N 3.07Å; L60-A63 PolarHBondContact O-N 2.88Å; A63-R65 VanDerWaalsContact C-N 3.28Å; A63-R65 PolarHBondContact O-N 3.1Å; A63-R65 VanDerWaalsContact O-N 3.15Å; A63-S66 CarbonylContact O-C 3.49Å; A63-S66 VanDerWaalsContact O-CA 3.32Å; A63-S66 WeakPolarHBondContact O-CA 3.35Å; A63-S66 VanDerWaalsContact O-CB 3.3Å; A63-S66 WeakPolarHBondContact O-CB 3.49Å; A63-S66 PolarHBondContact O-N 3.06Å; A63-L67 WeakPolarHBondContact O-CG 3.13Å; A63-L67 PolarHBondContact O-N 2.79Å
64	M	56.2	Low	63.4	Low	4 Å²	4	58 Å²	58	2%	0.02	31%	0.305	C	S	.	.	H	α-helix	trans	-48.7	-46.2	176.5	-69.1	-179.8	113.3	0	0	113.2	L60 L67 G68 Y69 P71 L76 I79 M198	L60-M64 HydrophobicContact CG-SD 4.4Å; L60-M64 WeakPolarHBondContact O-CB 3.45Å; L60-M64 VanDerWaalsContact O-CG 3.25Å; L60-M64 WeakPolarHBondContact O-CG 3.49Å; L60-M64 PolarHBondContact O-N 3.24Å; M64-L67 CarbonylContact O-C 3.55Å; M64-L67 WeakPolarHBondContact O-CA 3.35Å; M64-L67 WeakPolarHBondContact O-CB 3.44Å; M64-L67 PolarHBondContact O-N 3.09Å; M64-L67 VanDerWaalsContact O-N 3.07Å; M64-G68 PolarHBondContact O-N 2.92Å; M64-Y69 CarbonylContact C-O 3.51Å; M64-Y69 HydrophobicContact CB-CD1 4.26Å; M64-Y69 HydrophobicContact CE-CD1 3.67Å; M64-Y69 HydrophobicContact CE-CE1 3.58Å; M64-Y69 PolarHBondContact O-N 2.98Å; M64-Y69 VanDerWaalsContact O-N 3.14Å; M64-Y69 HydrophobicContact SD-CD1 4.35Å; M64-Y69 HydrophobicContact SD-CE1 4.44Å; M64-P71 HydrophobicContact CB-CG 4Å; M64-P71 HydrophobicContact SD-CB 4.15Å; M64-P71 HydrophobicContact SD-CG 3.83Å; M64-L76 HydrophobicContact SD-CD2 4.13Å; M64-I79 HydrophobicContact CE-CD1 3.43Å; M64-I79 VanDerWaalsContact CE-CD1 3.43Å; M64-I79 HydrophobicContact SD-CD1 4.22Å; M64-M198 HydrophobicContact CE-CE 4.04Å; M64-M198 HydrophobicContact CG-CE 3.8Å
65	R	54.9	Low	61.8	Low	107 Å²	107	58 Å²	58	40%	0.404	31%	0.306	S	S	.	.	H	α-helix	trans	-66.6	-34.7	175	-74.3	-179.3	-71.1	-105.5	0.9	113.7	G61 A63 L67 G68 Y69 M70	G61-R65 VanDerWaalsContact C-NH2 3.31Å; G61-R65 VanDerWaalsContact O-CB 3.3Å; G61-R65 WeakPolarHBondContact O-CB 3.27Å; G61-R65 VanDerWaalsContact O-CG 3.24Å; G61-R65 WeakPolarHBondContact O-CG 3.26Å; G61-R65 VanDerWaalsContact O-CZ 3.29Å; G61-R65 PolarHBondContact O-N 3.23Å; G61-R65 PolarHBondContact O-NE 3.46Å; G61-R65 VanDerWaalsContact O-NE 3.09Å; A63-R65 VanDerWaalsContact C-N 3.28Å; A63-R65 PolarHBondContact O-N 3.1Å; A63-R65 VanDerWaalsContact O-N 3.15Å; R65-L67 PolarHBondContact O-N 3.47Å; R65-G68 PolarHBondContact O-N 3.03Å; R65-Y69 VanDerWaalsContact CA-O 3.25Å; R65-Y69 WeakPolarHBondContact CA-O 3.49Å; R65-Y69 PolarHBondContact N-O 2.8Å; R65-M70 HydrophobicContact CG-CG 4.49Å
66	S	44.4	Very low	61.1	Low	69 Å²	69	57.9 Å²	57.9	48%	0.483	31%	0.306	S	S	.	.	H	α-helix	trans	-67.8	-17.5	172.1	-54.7	0	0	0	0	112.3	R49 M62 A63	R49-S66 PolarHBondContact NH2-OG 3.33Å; M62-S66 VanDerWaalsContact O-CB 3.28Å; M62-S66 WeakPolarHBondContact O-CB 3.22Å; M62-S66 PolarHBondContact O-N 3.14Å; M62-S66 PolarHBondContact O-OG 3.46Å; A63-S66 CarbonylContact O-C 3.49Å; A63-S66 VanDerWaalsContact O-CA 3.32Å; A63-S66 WeakPolarHBondContact O-CA 3.35Å; A63-S66 VanDerWaalsContact O-CB 3.3Å; A63-S66 WeakPolarHBondContact O-CB 3.49Å; A63-S66 PolarHBondContact O-N 3.06Å
67	L	44	Very low	60.3	Low	33 Å²	33	59 Å²	59	17%	0.173	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	7.7	174.6	-52.2	-177	0	0	0	113.3	A63 M64 R65 Y69 S191 C194 M198	A63-L67 WeakPolarHBondContact O-CG 3.13Å; A63-L67 PolarHBondContact O-N 2.79Å; M64-L67 CarbonylContact O-C 3.55Å; M64-L67 WeakPolarHBondContact O-CA 3.35Å; M64-L67 WeakPolarHBondContact O-CB 3.44Å; M64-L67 PolarHBondContact O-N 3.09Å; M64-L67 VanDerWaalsContact O-N 3.07Å; R65-L67 PolarHBondContact O-N 3.47Å; L67-Y69 VanDerWaalsContact C-N 3.34Å; L67-Y69 PolarHBondContact O-N 3.15Å; L67-S191 PolarHBondContact O-OG 2.99Å; L67-C194 HydrophobicContact CD1-CB 3.9Å; L67-C194 WeakPolarHBondContact CD1-SG 3.42Å; L67-C194 HydrophobicContact CD2-CB 3.54Å; L67-C194 VanDerWaalsContact CD2-SG 3.58Å; L67-C194 HydrophobicContact CG-CB 4.17Å; L67-M198 HydrophobicContact CD1-CG 3.73Å
68	G	41.7	Very low	59.4	Low	57 Å²	57	61.2 Å²	61.2	59%	0.588	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	-5.3	175.9	0	0	0	0	0	115.4	M64 R65 S191	M64-G68 PolarHBondContact O-N 2.92Å; R65-G68 PolarHBondContact O-N 3.03Å; G68-S191 PolarHBondContact N-OG 2.83Å
69	Y	45	Very low	58.6	Low	92 Å²	92	56.6 Å²	56.6	36%	0.361	31%	0.309	S	S	.	.			trans	-89.3	128.9	172.5	178.1	-118.7	0	0	0	110.2	M64 R65 L67 P71 E75	M64-Y69 CarbonylContact C-O 3.51Å; M64-Y69 HydrophobicContact CB-CD1 4.26Å; M64-Y69 HydrophobicContact CE-CD1 3.67Å; M64-Y69 HydrophobicContact CE-CE1 3.58Å; M64-Y69 PolarHBondContact O-N 2.98Å; M64-Y69 VanDerWaalsContact O-N 3.14Å; M64-Y69 HydrophobicContact SD-CD1 4.35Å; M64-Y69 HydrophobicContact SD-CE1 4.44Å; R65-Y69 VanDerWaalsContact CA-O 3.25Å; R65-Y69 WeakPolarHBondContact CA-O 3.49Å; R65-Y69 PolarHBondContact N-O 2.8Å; L67-Y69 VanDerWaalsContact C-N 3.34Å; L67-Y69 PolarHBondContact O-N 3.15Å; Y69-P71 VanDerWaalsContact C-CD 3.46Å; Y69-P71 HydrophobicContact CD1-CB 4.13Å; Y69-P71 HydrophobicContact CD1-CG 4.32Å; Y69-P71 HydrophobicContact CE1-CB 3.63Å; Y69-P71 HydrophobicContact CE1-CG 4.31Å; Y69-P71 WeakPolarHBondContact O-CD 3.19Å; Y69-E75 PolarHBondContact OH-OE1 3Å
70	M	51.4	Low	58.3	Low	158 Å²	158	56.6 Å²	56.6	78%	0.778	31%	0.309	S	S	*	.			trans	-103.4	82.8	176.1	-70.3	-179.9	68.3	0	0	109.5	R65	R65-M70 HydrophobicContact CG-CG 4.49Å
71	P	55.1	Low	58.4	Low	11 Å²	11	63.6 Å²	63.6	7%	0.071	34%	0.341	C	S	.	.			trans	-61.9	141	176.6	27.4	-36.3	0	0	0	110.8	M64 Y69 E75 L76	M64-P71 HydrophobicContact CB-CG 4Å; M64-P71 HydrophobicContact SD-CB 4.15Å; M64-P71 HydrophobicContact SD-CG 3.83Å; Y69-P71 VanDerWaalsContact C-CD 3.46Å; Y69-P71 HydrophobicContact CD1-CB 4.13Å; Y69-P71 HydrophobicContact CD1-CG 4.32Å; Y69-P71 HydrophobicContact CE1-CB 3.63Å; Y69-P71 HydrophobicContact CE1-CG 4.31Å; Y69-P71 WeakPolarHBondContact O-CD 3.19Å; P71-E75 HydrophobicContact CB-CB 4.41Å; P71-L76 HydrophobicContact CB-CD1 4.03Å; P71-L76 HydrophobicContact CB-CG 3.81Å; P71-L76 HydrophobicContact CG-CD1 3.58Å; P71-L76 HydrophobicContact CG-CD2 4.47Å; P71-L76 HydrophobicContact CG-CG 3.73Å
72	S	60.2	Low	58.4	Low	52 Å²	52	71 Å²	71	36%	0.364	37%	0.37	S	S	.	.			trans	-68.4	159.4	163.1	67.5	0	0	0	0	111.2	V74 E75 L76	S72-V74 PolarHBondContact O-N 2.61Å; S72-V74 VanDerWaalsContact O-N 3.12Å; S72-E75 WeakPolarHBondContact CB-OE2 3.48Å; S72-E75 PolarHBondContact N-OE2 3.34Å; S72-E75 PolarHBondContact O-N 3.37Å; S72-E75 WeakPolarHBondContact OG-CG 3.33Å; S72-E75 PolarHBondContact OG-N 3.18Å; S72-E75 PolarHBondContact OG-OE2 3.25Å; S72-L76 PolarHBondContact O-N 3.44Å
73	E	72.8	Confident	58.6	Low	123 Å²	123	68.6 Å²	68.6	58%	0.575	36%	0.358	S	S	*	.	H	α-helix	trans	-57.6	-25.6	175.4	-79.8	-62.2	141.3	0	0	113.7	K57 A77	K57-E73 WeakPolarHBondContact CE-OE2 3.32Å; K57-E73 PolarHBondContact NZ-O 2.72Å; K57-E73 IonicContact NZ-OE2 2.64Å; K57-E73 PolarHBondContact NZ-OE2 2.83Å; E73-A77 WeakPolarHBondContact O-CB 3.24Å; E73-A77 PolarHBondContact O-N 3.36Å; E73-A77 VanDerWaalsContact O-N 3.12Å
74	V	63.9	Low	59.3	Low	98 Å²	98	69.3 Å²	69.3	59%	0.594	36%	0.36	S	S	*	.	H	α-helix	trans	-78.8	-47.3	178	-179.6	0	0	0	0	110.8	S72 L76 A77 I78	S72-V74 PolarHBondContact O-N 2.61Å; S72-V74 VanDerWaalsContact O-N 3.12Å; V74-L76 VanDerWaalsContact C-N 3.33Å; V74-L76 PolarHBondContact O-N 3.33Å; V74-A77 PolarHBondContact O-N 3.07Å; V74-A77 VanDerWaalsContact O-N 3.16Å; V74-I78 HydrophobicContact CG1-CD1 3.93Å; V74-I78 VanDerWaalsContact O-CG1 3.32Å; V74-I78 WeakPolarHBondContact O-CG1 3.3Å; V74-I78 PolarHBondContact O-N 3.22Å
75	E	53.8	Low	60	Low	79 Å²	79	75 Å²	75	37%	0.369	39%	0.388	S	S	.	.	H	α-helix	trans	-60.2	-44.7	174.6	-71.7	158.5	124.4	0	0	110.9	Y69 P71 S72 A77 I78 I79	Y69-E75 PolarHBondContact OH-OE1 3Å; P71-E75 HydrophobicContact CB-CB 4.41Å; S72-E75 WeakPolarHBondContact CB-OE2 3.48Å; S72-E75 PolarHBondContact N-OE2 3.34Å; S72-E75 PolarHBondContact O-N 3.37Å; S72-E75 WeakPolarHBondContact OG-CG 3.33Å; S72-E75 PolarHBondContact OG-N 3.18Å; S72-E75 PolarHBondContact OG-OE2 3.25Å; E75-A77 VanDerWaalsContact C-N 3.33Å; E75-A77 PolarHBondContact O-N 2.85Å; E75-I78 PolarHBondContact O-N 2.99Å; E75-I79 VanDerWaalsContact O-CG1 3.27Å; E75-I79 WeakPolarHBondContact O-CG1 3.3Å; E75-I79 PolarHBondContact O-N 3.36Å
76	L	63.6	Low	61.1	Low	2 Å²	2	75.4 Å²	75.4	1%	0.01	40%	0.398	C	S	.	.	H	α-helix	trans	-59.6	-40.6	173.7	-95.5	161.4	0	0	0	112.6	K57 L60 M64 P71 S72 V74 M80	K57-L76 VanDerWaalsContact CE-CB 3.48Å; K57-L76 HydrophobicContact CG-CB 4.32Å; K57-L76 HydrophobicContact CG-CD2 4.32Å; L60-L76 HydrophobicContact CB-CD2 4.26Å; L60-L76 HydrophobicContact CD2-CD2 4Å; L60-L76 HydrophobicContact CG-CD2 3.9Å; M64-L76 HydrophobicContact SD-CD2 4.13Å; P71-L76 HydrophobicContact CB-CD1 4.03Å; P71-L76 HydrophobicContact CB-CG 3.81Å; P71-L76 HydrophobicContact CG-CD1 3.58Å; P71-L76 HydrophobicContact CG-CD2 4.47Å; P71-L76 HydrophobicContact CG-CG 3.73Å; S72-L76 PolarHBondContact O-N 3.44Å; V74-L76 VanDerWaalsContact C-N 3.33Å; V74-L76 PolarHBondContact O-N 3.33Å; L76-M80 VanDerWaalsContact O-CB 3.23Å; L76-M80 WeakPolarHBondContact O-CB 3.32Å; L76-M80 PolarHBondContact O-N 3.2Å
77	A	66.8	Low	62.8	Low	40 Å²	40	75 Å²	75	33%	0.331	41%	0.405	S	S	.	.	H	α-helix	trans	-67.2	-38.9	177.6	0	0	0	0	0	112.5	E73 V74 E75 M80 Q81	E73-A77 WeakPolarHBondContact O-CB 3.24Å; E73-A77 PolarHBondContact O-N 3.36Å; E73-A77 VanDerWaalsContact O-N 3.12Å; V74-A77 PolarHBondContact O-N 3.07Å; V74-A77 VanDerWaalsContact O-N 3.16Å; E75-A77 VanDerWaalsContact C-N 3.33Å; E75-A77 PolarHBondContact O-N 2.85Å; A77-M80 PolarHBondContact O-N 3.25Å; A77-Q81 VanDerWaalsContact O-CB 3.31Å; A77-Q81 WeakPolarHBondContact O-CB 3.33Å; A77-Q81 PolarHBondContact O-N 3.49Å
78	I	63.5	Low	64.6	Low	104 Å²	104	77.1 Å²	77.1	53%	0.533	42%	0.417	S	S	.	.	H	α-helix	trans	-66.2	-42	177.1	-68.6	164.1	0	0	0	111.1	V74 E75 R82	V74-I78 HydrophobicContact CG1-CD1 3.93Å; V74-I78 VanDerWaalsContact O-CG1 3.32Å; V74-I78 WeakPolarHBondContact O-CG1 3.3Å; V74-I78 PolarHBondContact O-N 3.22Å; E75-I78 PolarHBondContact O-N 2.99Å; I78-R82 PolarHBondContact O-N 3.33Å
79	I	63.6	Low	66.4	Low	48 Å²	48	76.1 Å²	76.1	25%	0.246	41%	0.407	C	S	.	.	H	α-helix	trans	-67.1	-44.5	176.1	-63.6	164.8	0	0	0	109.6	L60 M64 E75 R82 L83	L60-I79 HydrophobicContact CD2-CG2 3.91Å; M64-I79 HydrophobicContact CE-CD1 3.43Å; M64-I79 VanDerWaalsContact CE-CD1 3.43Å; M64-I79 HydrophobicContact SD-CD1 4.22Å; E75-I79 VanDerWaalsContact O-CG1 3.27Å; E75-I79 WeakPolarHBondContact O-CG1 3.3Å; E75-I79 PolarHBondContact O-N 3.36Å; I79-R82 WeakPolarHBondContact O-CB 3.38Å; I79-R82 PolarHBondContact O-N 3.31Å; I79-L83 HydrophobicContact CG2-CD1 3.9Å; I79-L83 HydrophobicContact CG2-CG 4.42Å; I79-L83 WeakPolarHBondContact O-CG 3.28Å; I79-L83 PolarHBondContact O-N 3.44Å
80	M	70	Confident	68.3	Low	10 Å²	10	74.6 Å²	74.6	5%	0.049	40%	0.403	C	S	.	.	H	α-helix	trans	-55.2	-56.4	177.5	-159.3	74.2	-151.8	0	0	111	K57 L60 L76 A77 R82 L83 D84 G89 Q90 V91	K57-M80 HydrophobicContact CB-CG 4.49Å; K57-M80 HydrophobicContact CB-SD 3.95Å; K57-M80 HydrophobicContact CG-SD 4.43Å; L60-M80 HydrophobicContact CD2-SD 4.07Å; L76-M80 VanDerWaalsContact O-CB 3.23Å; L76-M80 WeakPolarHBondContact O-CB 3.32Å; L76-M80 PolarHBondContact O-N 3.2Å; A77-M80 PolarHBondContact O-N 3.25Å; M80-R82 PolarHBondContact O-N 2.92Å; M80-L83 PolarHBondContact O-N 3.18Å; M80-D84 HydrophobicContact CE-CB 4.42Å; M80-D84 WeakPolarHBondContact O-CB 3.34Å; M80-D84 PolarHBondContact O-N 3.13Å; M80-G89 WeakPolarHBondContact CE-O 3.45Å; M80-Q90 WeakPolarHBondContact CE-O 3.3Å; M80-V91 HydrophobicContact CE-CG2 3.41Å; M80-V91 VanDerWaalsContact CE-CG2 3.41Å; M80-V91 HydrophobicContact SD-CG2 4.35Å
81	Q	69.6	Low	69.6	Low	159 Å²	159	67.1 Å²	67.1	74%	0.743	37%	0.366	S	S	*	.	H	α-helix	trans	-58.2	-10.9	177.6	-167.3	-175	3.7	0	0	114.2	A77	A77-Q81 VanDerWaalsContact O-CB 3.31Å; A77-Q81 WeakPolarHBondContact O-CB 3.33Å; A77-Q81 PolarHBondContact O-N 3.49Å
82	R	64.5	Low	71	Confident	156 Å²	156	68.8 Å²	68.8	59%	0.589	37%	0.374	S	S	*	.	H	α-helix	trans	-99.7	-18.3	177.1	-168.3	51.3	172.7	172.9	3.3	113.7	I78 I79 M80 I99 M205	I78-R82 PolarHBondContact O-N 3.33Å; I79-R82 WeakPolarHBondContact O-CB 3.38Å; I79-R82 PolarHBondContact O-N 3.31Å; M80-R82 PolarHBondContact O-N 2.92Å; R82-I99 WeakPolarHBondContact O-CD1 3.47Å; R82-M205 HydrophobicContact CG-CE 3.88Å; R82-M205 HydrophobicContact CG-SD 4.3Å
83	L	64.9	Low	71.8	Confident	28 Å²	28	68.7 Å²	68.7	15%	0.147	37%	0.368	C	S	.	.	H	α-helix	trans	-100.6	-45.7	177.7	-61.3	175	0	0	0	110.9	L60 I79 M80 M85 V91 I99	L60-L83 HydrophobicContact CD2-CD1 4.24Å; I79-L83 HydrophobicContact CG2-CD1 3.9Å; I79-L83 HydrophobicContact CG2-CG 4.42Å; I79-L83 WeakPolarHBondContact O-CG 3.28Å; I79-L83 PolarHBondContact O-N 3.44Å; M80-L83 PolarHBondContact O-N 3.18Å; L83-M85 PolarHBondContact O-N 2.9Å; L83-V91 HydrophobicContact CB-CB 4.48Å; L83-V91 HydrophobicContact CB-CG1 4.01Å; L83-V91 HydrophobicContact CB-CG2 3.56Å; L83-V91 HydrophobicContact CD1-CG2 4.23Å; L83-I99 HydrophobicContact CD2-CB 4.28Å; L83-I99 HydrophobicContact CD2-CG1 3.99Å; L83-I99 HydrophobicContact CD2-CG2 3.82Å
84	D	74.8	Confident	72	Confident	25 Å²	25	69.4 Å²	69.4	13%	0.134	37%	0.371	C	S	.	.			trans	-64.3	103	169.8	179.5	-3.1	0	0	0	108.9	M80 G87 D88 G89 Q90	M80-D84 HydrophobicContact CE-CB 4.42Å; M80-D84 WeakPolarHBondContact O-CB 3.34Å; M80-D84 PolarHBondContact O-N 3.13Å; D84-G87 WeakPolarHBondContact OD1-CA 3.25Å; D84-G87 PolarHBondContact OD1-N 2.94Å; D84-D88 PolarHBondContact OD1-N 3.42Å; D84-G89 VanDerWaalsContact OD2-CA 3.25Å; D84-G89 WeakPolarHBondContact OD2-CA 3.26Å; D84-G89 PolarHBondContact OD2-N 3.39Å; D84-Q90 WeakPolarHBondContact CB-O 3.42Å
85	M	71.4	Confident	72.5	Confident	123 Å²	123	65.4 Å²	65.4	61%	0.606	35%	0.346	S	S	*	.	S	Bend	trans	-95.9	-29.1	-177.6	-69.2	-174.8	51.7	0	0	112.2	L83 E95 T98	L83-M85 PolarHBondContact O-N 2.9Å; M85-E95 WeakPolarHBondContact CA-OE1 3.31Å; M85-E95 HydrophobicContact CB-CG 4.3Å; M85-E95 WeakPolarHBondContact CB-OE1 3.36Å; M85-E95 PolarHBondContact N-OE1 3.24Å; M85-T98 HydrophobicContact CE-CG2 4.36Å; M85-T98 HydrophobicContact SD-CG2 3.93Å
86	D	77.2	Confident	73.2	Confident	117 Å²	117	62.6 Å²	62.6	63%	0.626	33%	0.332	S	S	*	.	S	Bend	trans	-90.6	-21.6	-179.9	91	-20.3	0	0	0	114	D88 E95	D86-D88 WeakPolarHBondContact OD1-CB 3.46Å; D86-D88 PolarHBondContact OD1-N 2.9Å; D86-E95 PolarHBondContact N-OE1 2.9Å; D86-E95 VanDerWaalsContact N-OE1 3.13Å
87	G	81.1	Confident	73.4	Confident	61 Å²	61	63.7 Å²	63.7	63%	0.629	34%	0.338	S	S	*	.	S	Bend	trans	93.5	16	177.4	0	0	0	0	0	115.2	D84 G89	D84-G87 WeakPolarHBondContact OD1-CA 3.25Å; D84-G87 PolarHBondContact OD1-N 2.94Å; G87-G89 VanDerWaalsContact C-N 3.3Å; G87-G89 PolarHBondContact O-N 3.34Å
88	D	82.4	Confident	73.2	Confident	76 Å²	76	65 Å²	65	41%	0.406	34%	0.342	S	S	.	.	S	Bend	trans	-74.1	-15.7	-178	101.8	-37.7	0	0	0	114.3	D84 D86 Q90	D84-D88 PolarHBondContact OD1-N 3.42Å; D86-D88 WeakPolarHBondContact OD1-CB 3.46Å; D86-D88 PolarHBondContact OD1-N 2.9Å; D88-Q90 VanDerWaalsContact OD1-CA 3.31Å; D88-Q90 WeakPolarHBondContact OD1-CA 3.45Å; D88-Q90 VanDerWaalsContact OD1-CB 3.27Å; D88-Q90 WeakPolarHBondContact OD1-CB 3.33Å; D88-Q90 PolarHBondContact OD1-N 2.82Å; D88-Q90 PolarHBondContact OD2-NE2 2.83Å
89	G	79.4	Confident	73	Confident	37 Å²	37	62.2 Å²	62.2	38%	0.381	33%	0.327	S	S	.	.	S	Bend	trans	90.9	10.8	-178.5	0	0	0	0	0	115	M80 D84 G87	M80-G89 WeakPolarHBondContact CE-O 3.45Å; D84-G89 VanDerWaalsContact OD2-CA 3.25Å; D84-G89 WeakPolarHBondContact OD2-CA 3.26Å; D84-G89 PolarHBondContact OD2-N 3.39Å; G87-G89 VanDerWaalsContact C-N 3.3Å; G87-G89 PolarHBondContact O-N 3.34Å
90	Q	84.9	Confident	72.4	Confident	60 Å²	60	62 Å²	62	28%	0.28	33%	0.327	S	S	.	.	S	Bend	trans	-128.6	-176.5	175.4	-54.1	177.8	97.6	0	0	109.3	F54 M80 D84 D88	F54-Q90 HydrophobicContact CB-CB 4.03Å; M80-Q90 WeakPolarHBondContact CE-O 3.3Å; D84-Q90 WeakPolarHBondContact CB-O 3.42Å; D88-Q90 VanDerWaalsContact OD1-CA 3.31Å; D88-Q90 WeakPolarHBondContact OD1-CA 3.45Å; D88-Q90 VanDerWaalsContact OD1-CB 3.27Å; D88-Q90 WeakPolarHBondContact OD1-CB 3.33Å; D88-Q90 PolarHBondContact OD1-N 2.82Å; D88-Q90 PolarHBondContact OD2-NE2 2.83Å
91	V	79.2	Confident	71.5	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.006	33%	0.325	C	S	.	.			trans	-130.6	121	170.5	-167.6	0	0	0	0	108.1	F54 I55 M80 L83 E95 F96	F54-V91 CarbonylContact C-O 3.53Å; F54-V91 WeakPolarHBondContact CA-O 3.37Å; I55-V91 HydrophobicContact CB-CB 4.29Å; I55-V91 PolarHBondContact N-O 3.05Å; I55-V91 PolarHBondContact O-N 3.2Å; M80-V91 HydrophobicContact CE-CG2 3.41Å; M80-V91 VanDerWaalsContact CE-CG2 3.41Å; M80-V91 HydrophobicContact SD-CG2 4.35Å; L83-V91 HydrophobicContact CB-CB 4.48Å; L83-V91 HydrophobicContact CB-CG1 4.01Å; L83-V91 HydrophobicContact CB-CG2 3.56Å; L83-V91 HydrophobicContact CD1-CG2 4.23Å; V91-E95 WeakPolarHBondContact CA-OE2 3.35Å; V91-E95 HydrophobicContact CG1-CB 3.83Å; V91-F96 HydrophobicContact CG1-CB 4.3Å
92	D	84	Confident	70.4	Confident	45 Å²	45	57.1 Å²	57.1	24%	0.241	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-83.5	175.1	174.9	85.2	28.7	0	0	0	112.8	F54 E94 E95 F96	F54-D92 HydrophobicContact CD1-CB 3.76Å; F54-D92 HydrophobicContact CE1-CB 3.82Å; D92-E94 WeakPolarHBondContact OD1-CA 3.24Å; D92-E94 WeakPolarHBondContact OD1-CB 3.46Å; D92-E94 PolarHBondContact OD1-N 3.38Å; D92-E95 PolarHBondContact N-OE2 3.13Å; D92-E95 PolarHBondContact OD1-N 2.79Å; D92-F96 VanDerWaalsContact O-CB 3.29Å; D92-F96 WeakPolarHBondContact O-CB 3.39Å; D92-F96 PolarHBondContact O-N 2.73Å
93	F	76.3	Confident	69.5	Low	51 Å²	51	54.1 Å²	54.1	22%	0.224	30%	0.301	C	S	.	.	H	α-helix	trans	-68.8	-33.7	-179.2	-177.9	-105.6	0	0	0	113.8	L37 I40 R41 F44 M97	L37-F93 HydrophobicContact CD2-CE1 4.49Å; L37-F93 HydrophobicContact CD2-CZ 4.35Å; I40-F93 HydrophobicContact CG2-CE2 4.07Å; I40-F93 HydrophobicContact CG2-CZ 4.34Å; R41-F93 HydrophobicContact CB-CE2 4.08Å; R41-F93 HydrophobicContact CB-CZ 4.14Å; R41-F93 HydrophobicContact CG-CE2 4.21Å; R41-F93 HydrophobicContact CG-CZ 4.33Å; F44-F93 HydrophobicContact CB-CD2 3.95Å; F44-F93 HydrophobicContact CB-CE2 4.18Å; F44-F93 HydrophobicContact CD1-CD2 4.26Å; F44-F93 HydrophobicContact CD2-CB 4.43Å; F44-F93 AromaticContact CD2-CD2 3.84Å; F44-F93 HydrophobicContact CD2-CD2 3.84Å; F44-F93 HydrophobicContact CE2-CB 4.17Å; F44-F93 HydrophobicContact CE2-CD2 4.41Å; F44-F93 AromaticContact CG-CD2 3.75Å; F44-F93 HydrophobicContact CG-CD2 3.75Å; F44-F93 HydrophobicContact CG-CE2 4.47Å; F44-F93 HydrophobicContact CZ-CB 4.25Å; F93-M97 HydrophobicContact CE1-SD 4.41Å; F93-M97 VanDerWaalsContact O-CB 3.23Å; F93-M97 WeakPolarHBondContact O-CB 3.41Å; F93-M97 PolarHBondContact O-N 3.42Å
94	E	78.1	Confident	68.5	Low	137 Å²	137	56.1 Å²	56.1	64%	0.64	31%	0.311	S	S	*	.	H	α-helix	trans	-73	-37.8	177.7	-60.7	-155.9	138.1	0	0	111.2	D92 M97 T98	D92-E94 WeakPolarHBondContact OD1-CA 3.24Å; D92-E94 WeakPolarHBondContact OD1-CB 3.46Å; D92-E94 PolarHBondContact OD1-N 3.38Å; E94-M97 PolarHBondContact O-N 3.26Å; E94-T98 VanDerWaalsContact O-CB 3.24Å; E94-T98 WeakPolarHBondContact O-CB 3.33Å; E94-T98 PolarHBondContact O-N 3.06Å; E94-T98 PolarHBondContact O-OG1 2.69Å
95	E	74	Confident	67	Low	14 Å²	14	57.8 Å²	57.8	7%	0.065	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-48.2	172.2	-66.6	-178.7	130.7	0	0	111.5	M85 D86 V91 D92 M97 T98 I99	M85-E95 WeakPolarHBondContact CA-OE1 3.31Å; M85-E95 HydrophobicContact CB-CG 4.3Å; M85-E95 WeakPolarHBondContact CB-OE1 3.36Å; M85-E95 PolarHBondContact N-OE1 3.24Å; D86-E95 PolarHBondContact N-OE1 2.9Å; D86-E95 VanDerWaalsContact N-OE1 3.13Å; V91-E95 WeakPolarHBondContact CA-OE2 3.35Å; V91-E95 HydrophobicContact CG1-CB 3.83Å; D92-E95 PolarHBondContact N-OE2 3.13Å; D92-E95 PolarHBondContact OD1-N 2.79Å; E95-M97 VanDerWaalsContact C-N 3.32Å; E95-M97 PolarHBondContact O-N 3.46Å; E95-T98 PolarHBondContact O-N 2.73Å; E95-T98 VanDerWaalsContact O-N 3.13Å; E95-I99 WeakPolarHBondContact O-CG1 3.27Å; E95-I99 PolarHBondContact O-N 2.9Å
96	F	68.2	Low	65.6	Low	21 Å²	21	56.2 Å²	56.2	9%	0.092	32%	0.321	C	S	.	.	H	α-helix	trans	-56.5	-46.5	175.1	-173.7	-103.5	0	0	0	111.3	I40 F44 L47 I55 V91 D92 I99 L100	I40-F96 HydrophobicContact CG2-CD1 3.92Å; I40-F96 HydrophobicContact CG2-CE1 3.95Å; F44-F96 HydrophobicContact CB-CD1 4.27Å; F44-F96 HydrophobicContact CB-CE1 4.14Å; F44-F96 HydrophobicContact CD2-CB 3.96Å; F44-F96 AromaticContact CD2-CD1 3.79Å; F44-F96 HydrophobicContact CD2-CD1 3.79Å; F44-F96 HydrophobicContact CD2-CD2 4.38Å; F44-F96 HydrophobicContact CD2-CE1 4.32Å; F44-F96 AromaticContact CD2-CG 3.81Å; F44-F96 HydrophobicContact CD2-CG 3.81Å; F44-F96 HydrophobicContact CE2-CB 4.14Å; F44-F96 HydrophobicContact CE2-CG 4.41Å; L47-F96 HydrophobicContact CD1-CE2 3.57Å; L47-F96 HydrophobicContact CD1-CZ 3.64Å; I55-F96 HydrophobicContact CD1-CD2 3.9Å; I55-F96 HydrophobicContact CD1-CE2 4.08Å; V91-F96 HydrophobicContact CG1-CB 4.3Å; D92-F96 VanDerWaalsContact O-CB 3.29Å; D92-F96 WeakPolarHBondContact O-CB 3.39Å; D92-F96 PolarHBondContact O-N 2.73Å; F96-I99 PolarHBondContact O-N 3.01Å; F96-L100 HydrophobicContact CD1-CD1 3.81Å; F96-L100 HydrophobicContact CD2-CD1 3.77Å; F96-L100 HydrophobicContact CE1-CD1 3.5Å; F96-L100 HydrophobicContact CE2-CD1 3.44Å; F96-L100 VanDerWaalsContact CE2-CD1 3.44Å; F96-L100 HydrophobicContact CG-CD1 3.95Å; F96-L100 HydrophobicContact CZ-CD1 3.31Å; F96-L100 WeakPolarHBondContact O-CB 3.39Å; F96-L100 PolarHBondContact O-N 2.98Å
97	M	66.7	Low	63.8	Low	25 Å²	25	53.7 Å²	53.7	12%	0.123	31%	0.313	C	S	.	.	H	α-helix	trans	-67.1	-34.9	176	-173	176.6	63.3	0	0	112.8	L29 I32 F93 E94 E95 I99 L100 G101	L29-M97 HydrophobicContact CD2-CE 3.95Å; I32-M97 HydrophobicContact CD1-CG 4.34Å; I32-M97 HydrophobicContact CD1-SD 4.32Å; F93-M97 HydrophobicContact CE1-SD 4.41Å; F93-M97 VanDerWaalsContact O-CB 3.23Å; F93-M97 WeakPolarHBondContact O-CB 3.41Å; F93-M97 PolarHBondContact O-N 3.42Å; E94-M97 PolarHBondContact O-N 3.26Å; E95-M97 VanDerWaalsContact C-N 3.32Å; E95-M97 PolarHBondContact O-N 3.46Å; M97-I99 VanDerWaalsContact C-N 3.32Å; M97-I99 PolarHBondContact O-N 3.13Å; M97-L100 PolarHBondContact O-N 3.39Å; M97-G101 WeakPolarHBondContact O-CA 3.29Å; M97-G101 PolarHBondContact O-N 2.83Å
98	T	63.3	Low	61.8	Low	67 Å²	67	60.1 Å²	60.1	41%	0.411	33%	0.326	S	S	.	.	H	α-helix	trans	-67.2	-33	176.9	-63.6	0	0	0	0	111.9	M85 E94 E95 P102	M85-T98 HydrophobicContact CE-CG2 4.36Å; M85-T98 HydrophobicContact SD-CG2 3.93Å; E94-T98 VanDerWaalsContact O-CB 3.24Å; E94-T98 WeakPolarHBondContact O-CB 3.33Å; E94-T98 PolarHBondContact O-N 3.06Å; E94-T98 PolarHBondContact O-OG1 2.69Å; E95-T98 PolarHBondContact O-N 2.73Å; E95-T98 VanDerWaalsContact O-N 3.13Å; T98-P102 WeakPolarHBondContact O-CD 3.41Å; T98-P102 WeakPolarHBondContact O-CG 3.38Å
99	I	58.8	Low	59.6	Low	45 Å²	45	61.1 Å²	61.1	23%	0.231	34%	0.335	C	S	.	.	H	α-helix	trans	-77.3	-42.5	175	-63.8	-71.7	0	0	0	111.8	R82 L83 E95 F96 M97 K103	R82-I99 WeakPolarHBondContact O-CD1 3.47Å; L83-I99 HydrophobicContact CD2-CB 4.28Å; L83-I99 HydrophobicContact CD2-CG1 3.99Å; L83-I99 HydrophobicContact CD2-CG2 3.82Å; E95-I99 WeakPolarHBondContact O-CG1 3.27Å; E95-I99 PolarHBondContact O-N 2.9Å; F96-I99 PolarHBondContact O-N 3.01Å; M97-I99 VanDerWaalsContact C-N 3.32Å; M97-I99 PolarHBondContact O-N 3.13Å; I99-K103 VanDerWaalsContact O-CG 3.23Å; I99-K103 WeakPolarHBondContact O-CG 3.43Å
100	L	52.3	Low	57.7	Low	45 Å²	45	70.7 Å²	70.7	24%	0.236	36%	0.36	C	S	.	.	H	α-helix	trans	-88.9	-42.7	-173.1	-84.2	144.2	0	0	0	114.4	F96 M97 K103 L104	F96-L100 HydrophobicContact CD1-CD1 3.81Å; F96-L100 HydrophobicContact CD2-CD1 3.77Å; F96-L100 HydrophobicContact CE1-CD1 3.5Å; F96-L100 HydrophobicContact CE2-CD1 3.44Å; F96-L100 VanDerWaalsContact CE2-CD1 3.44Å; F96-L100 HydrophobicContact CG-CD1 3.95Å; F96-L100 HydrophobicContact CZ-CD1 3.31Å; F96-L100 WeakPolarHBondContact O-CB 3.39Å; F96-L100 PolarHBondContact O-N 2.98Å; M97-L100 PolarHBondContact O-N 3.39Å; L100-K103 WeakPolarHBondContact O-CA 3.48Å; L100-K103 WeakPolarHBondContact O-CB 3.25Å; L100-K103 PolarHBondContact O-N 3Å; L100-L104 WeakPolarHBondContact O-CG 3.14Å; L100-L104 PolarHBondContact O-N 3.46Å
101	G	50.2	Low	55.5	Low	2 Å²	2	76 Å²	76	2%	0.021	38%	0.384	C	S	.	.	H	α-helix	trans	-53.9	-53.9	-175.7	0	0	0	0	0	113.7	M97 K103 L104 L105	M97-G101 WeakPolarHBondContact O-CA 3.29Å; M97-G101 PolarHBondContact O-N 2.83Å; G101-K103 PolarHBondContact O-N 2.93Å; G101-L104 PolarHBondContact O-N 3.47Å; G101-L105 WeakPolarHBondContact O-CG 3.25Å; G101-L105 PolarHBondContact O-N 2.78Å
102	P	47.6	Very low	53.7	Low	64 Å²	64	78.1 Å²	78.1	42%	0.416	41%	0.407	S	S	.	.	H	α-helix	trans	-63.3	-27.6	177.1	-23.2	34.7	0	0	0	113.6	T98 S106	T98-P102 WeakPolarHBondContact O-CD 3.41Å; T98-P102 WeakPolarHBondContact O-CG 3.38Å; P102-S106 VanDerWaalsContact O-CB 3.27Å; P102-S106 WeakPolarHBondContact O-CB 3.39Å; P102-S106 PolarHBondContact O-N 3.02Å; P102-S106 PolarHBondContact O-OG 3.39Å
103	K	45.4	Very low	51.5	Low	93 Å²	93	82.4 Å²	82.4	40%	0.404	42%	0.424	S	S	.	.	H	α-helix	trans	-71.6	-41.2	176.6	-68.5	-79.6	-179.6	-179.6	0	111.1	I99 L100 G101 S106 V204	I99-K103 VanDerWaalsContact O-CG 3.23Å; I99-K103 WeakPolarHBondContact O-CG 3.43Å; L100-K103 WeakPolarHBondContact O-CA 3.48Å; L100-K103 WeakPolarHBondContact O-CB 3.25Å; L100-K103 PolarHBondContact O-N 3Å; G101-K103 PolarHBondContact O-N 2.93Å; K103-S106 PolarHBondContact O-N 2.83Å; K103-S106 PolarHBondContact O-OG 3.02Å; K103-V204 HydrophobicContact CD-CG1 3.7Å
104	L	44.3	Very low	49.8	Very low	69 Å²	69	83.7 Å²	83.7	36%	0.361	43%	0.432	S	S	.	.	H	α-helix	trans	-63.9	-43.8	174.8	-65.4	166.1	0	0	0	111.1	I40 L100 G101 S106	I40-L104 HydrophobicContact CD1-CD1 3.75Å; I40-L104 HydrophobicContact CG1-CD1 3.95Å; L100-L104 WeakPolarHBondContact O-CG 3.14Å; L100-L104 PolarHBondContact O-N 3.46Å; G101-L104 PolarHBondContact O-N 3.47Å; L104-S106 VanDerWaalsContact C-N 3.34Å; L104-S106 PolarHBondContact O-N 2.67Å
105	L	41.8	Very low	47.9	Very low	61 Å²	61	77.9 Å²	77.9	32%	0.319	41%	0.41	S	S	.	.	H	α-helix	trans	-72.8	-21.1	179.7	-65.7	164.4	0	0	0	114	V28 I32 G101 S107	V28-L105 HydrophobicContact CG1-CD1 3.49Å; V28-L105 VanDerWaalsContact CG1-CD1 3.49Å; V28-L105 WeakPolarHBondContact O-CD1 3.47Å; I32-L105 HydrophobicContact CG1-CD1 3.98Å; G101-L105 WeakPolarHBondContact O-CG 3.25Å; G101-L105 PolarHBondContact O-N 2.78Å; L105-S107 VanDerWaalsContact C-N 3.26Å; L105-S107 PolarHBondContact O-N 2.99Å
106	S	41.8	Very low	46.1	Very low	89 Å²	89	80.9 Å²	80.9	62%	0.622	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-4.1	180	68.7	0	0	0	0	115.2	P102 K103 L104 E108	P102-S106 VanDerWaalsContact O-CB 3.27Å; P102-S106 WeakPolarHBondContact O-CB 3.39Å; P102-S106 PolarHBondContact O-N 3.02Å; P102-S106 PolarHBondContact O-OG 3.39Å; K103-S106 PolarHBondContact O-N 2.83Å; K103-S106 PolarHBondContact O-OG 3.02Å; L104-S106 VanDerWaalsContact C-N 3.34Å; L104-S106 PolarHBondContact O-N 2.67Å; S106-E108 PolarHBondContact O-N 3.32Å
107	S	41.2	Very low	44.7	Very low	65 Å²	65	83.5 Å²	83.5	46%	0.455	45%	0.45	S	S	.	.			trans	-85	98.2	170.8	-173.9	0	0	0	0	110.2	L105 T109	L105-S107 VanDerWaalsContact C-N 3.26Å; L105-S107 PolarHBondContact O-N 2.99Å; S107-T109 PolarHBondContact O-N 3.46Å
108	E	38.2	Very low	43.5	Very low	196 Å²	196	85.7 Å²	85.7	92%	0.916	46%	0.461	S	S	*	.			trans	-73.5	36.5	175.9	-150.8	-179.4	132.3	0	0	112.8	S106	S106-E108 PolarHBondContact O-N 3.32Å
109	T	36.4	Very low	42.3	Very low	96 Å²	96	85.9 Å²	85.9	59%	0.589	46%	0.46	S	S	*	.			trans	-107.4	101.3	176.8	-53.1	0	0	0	0	109.7	S107 E111	S107-T109 PolarHBondContact O-N 3.46Å; T109-E111 VanDerWaalsContact C-N 3.28Å; T109-E111 PolarHBondContact O-N 3.36Å
110	R	40.1	Very low	41.3	Very low	239 Å²	239	87 Å²	87	90%	0.902	47%	0.469	S	S	*	.			trans	-74.7	64.1	-177.9	-61.5	168.7	57.3	96.4	4.8	113.7
111	E	37.2	Very low	40.7	Very low	170 Å²	170	87.4 Å²	87.4	79%	0.794	47%	0.471	S	S	*	.	S	Bend	trans	-148.4	140.9	152.9	-69.8	-157.5	153.3	0	0	108.3	T109 F113	T109-E111 VanDerWaalsContact C-N 3.28Å; T109-E111 PolarHBondContact O-N 3.36Å; E111-F113 PolarHBondContact O-N 3.14Å
112	G	42.8	Very low	40.1	Very low	47 Å²	47	91.2 Å²	91.2	49%	0.485	49%	0.487	S	S	.	.			trans	-57.7	103.4	-172	0	0	0	0	0	112.5	S116	G112-S116 PolarHBondContact O-OG 3.34Å
113	F	37.7	Very low	39.6	Very low	135 Å²	135	98.2 Å²	98.2	59%	0.592	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-32.6	-160.8	-168	-102.4	0	0	0	114	E111	E111-F113 PolarHBondContact O-N 3.14Å
114	L	40.1	Very low	39.2	Very low	77 Å²	77	100.8 Å²	100.8	40%	0.403	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-81.4	169.5	-77.2	94	0	0	0	110.5	S116 T117 I118	L114-S116 PolarHBondContact O-N 2.75Å; L114-T117 PolarHBondContact O-N 3.48Å; L114-I118 HydrophobicContact CB-CD1 4.38Å; L114-I118 HydrophobicContact CD2-CD1 4.13Å; L114-I118 HydrophobicContact CG-CD1 3.92Å; L114-I118 WeakPolarHBondContact O-CB 3.31Å; L114-I118 PolarHBondContact O-N 2.97Å
115	G	37.3	Very low	38.8	Very low	16 Å²	16	102 Å²	102	17%	0.165	52%	0.521	C	S	.	.	I	π-helix	trans	-25.7	-85.5	-175	0	0	0	0	0	115.8	T117 I118 D119	G115-T117 VanDerWaalsContact C-N 3.33Å; G115-T117 PolarHBondContact O-N 2.8Å; G115-T117 VanDerWaalsContact O-N 3.14Å; G115-I118 PolarHBondContact O-N 2.85Å; G115-D119 WeakPolarHBondContact O-CA 3.26Å; G115-D119 WeakPolarHBondContact O-CB 3.33Å; G115-D119 PolarHBondContact O-N 3.44Å
116	S	37.2	Very low	38.5	Very low	76 Å²	76	103 Å²	103	53%	0.531	53%	0.527	S	S	.	.	I	π-helix	trans	-61.4	-32.2	-170.1	55.9	0	0	0	0	115.7	G112 L114 T120	G112-S116 PolarHBondContact O-OG 3.34Å; L114-S116 PolarHBondContact O-N 2.75Å; S116-T120 WeakPolarHBondContact O-CB 3.46Å; S116-T120 PolarHBondContact O-N 3.47Å; S116-T120 PolarHBondContact O-OG1 2.95Å
117	T	39.6	Very low	38.4	Very low	76 Å²	76	103.2 Å²	103.2	47%	0.466	52%	0.519	S	S	.	.	I	π-helix	trans	-86.7	-44	-178.1	-61.3	0	0	0	0	111.6	L114 G115 I121	L114-T117 PolarHBondContact O-N 3.48Å; G115-T117 VanDerWaalsContact C-N 3.33Å; G115-T117 PolarHBondContact O-N 2.8Å; G115-T117 VanDerWaalsContact O-N 3.14Å; T117-I121 HydrophobicContact CG2-CD1 3.85Å; T117-I121 VanDerWaalsContact O-CB 3.32Å; T117-I121 WeakPolarHBondContact O-CB 3.45Å; T117-I121 WeakPolarHBondContact O-CD1 3.09Å; T117-I121 WeakPolarHBondContact O-CG1 3.01Å; T117-I121 PolarHBondContact O-N 3.36Å
118	I	41	Very low	38.1	Very low	71 Å²	71	107.9 Å²	107.9	36%	0.364	53%	0.534	S	S	.	.	I	π-helix	trans	-73.7	-41.4	178.4	-61.5	-166.7	0	0	0	110.4	L114 G115 I121 F122	L114-I118 HydrophobicContact CB-CD1 4.38Å; L114-I118 HydrophobicContact CD2-CD1 4.13Å; L114-I118 HydrophobicContact CG-CD1 3.92Å; L114-I118 WeakPolarHBondContact O-CB 3.31Å; L114-I118 PolarHBondContact O-N 2.97Å; G115-I118 PolarHBondContact O-N 2.85Å; I118-I121 CarbonylContact O-C 3.56Å; I118-I121 PolarHBondContact O-N 3.45Å; I118-F122 HydrophobicContact CG2-CD2 3.49Å; I118-F122 VanDerWaalsContact CG2-CD2 3.49Å; I118-F122 HydrophobicContact CG2-CE2 3.71Å; I118-F122 HydrophobicContact CG2-CG 4.35Å; I118-F122 VanDerWaalsContact O-CB 3.26Å; I118-F122 WeakPolarHBondContact O-CB 3.39Å; I118-F122 WeakPolarHBondContact O-CD2 3.43Å; I118-F122 PolarHBondContact O-N 3.26Å
119	D	37.9	Very low	38.1	Very low	72 Å²	72	105.5 Å²	105.5	39%	0.385	52%	0.522	S	S	.	.	I	π-helix	trans	-65.3	-40.9	173	-76.2	-62.6	0	0	0	112.2	G115 I121 F122 W123	G115-D119 WeakPolarHBondContact O-CA 3.26Å; G115-D119 WeakPolarHBondContact O-CB 3.33Å; G115-D119 PolarHBondContact O-N 3.44Å; D119-I121 VanDerWaalsContact C-N 3.28Å; D119-I121 PolarHBondContact O-N 3.38Å; D119-F122 PolarHBondContact O-N 2.92Å; D119-W123 VanDerWaalsContact O-CB 3.28Å; D119-W123 WeakPolarHBondContact O-CB 3.04Å; D119-W123 VanDerWaalsContact O-CD1 3.3Å; D119-W123 PolarHBondContact O-N 3.33Å; D119-W123 PolarHBondContact OD1-NE1 2.97Å
120	T	37.7	Very low	38.6	Very low	69 Å²	69	102.2 Å²	102.2	42%	0.423	50%	0.501	S	S	.	.	I	π-helix	trans	-62.5	-39.2	174.6	-59.9	0	0	0	0	110.6	S116 Q124	S116-T120 WeakPolarHBondContact O-CB 3.46Å; S116-T120 PolarHBondContact O-N 3.47Å; S116-T120 PolarHBondContact O-OG1 2.95Å; T120-Q124 HydrophobicContact CG2-CB 4.24Å; T120-Q124 WeakPolarHBondContact O-CA 3.42Å; T120-Q124 WeakPolarHBondContact O-CB 3.27Å; T120-Q124 PolarHBondContact O-N 3.46Å
121	I	39	Very low	39.2	Very low	52 Å²	52	93.8 Å²	93.8	27%	0.267	48%	0.476	S	S	.	.	I	π-helix	trans	-74.8	-32.8	178	-68.4	169.3	0	0	0	112.7	T117 I118 D119 F125 I138	T117-I121 HydrophobicContact CG2-CD1 3.85Å; T117-I121 VanDerWaalsContact O-CB 3.32Å; T117-I121 WeakPolarHBondContact O-CB 3.45Å; T117-I121 WeakPolarHBondContact O-CD1 3.09Å; T117-I121 WeakPolarHBondContact O-CG1 3.01Å; T117-I121 PolarHBondContact O-N 3.36Å; I118-I121 CarbonylContact O-C 3.56Å; I118-I121 PolarHBondContact O-N 3.45Å; D119-I121 VanDerWaalsContact C-N 3.28Å; D119-I121 PolarHBondContact O-N 3.38Å; I121-F125 WeakPolarHBondContact O-CB 3.33Å; I121-I138 HydrophobicContact CD1-CG1 4.45Å; I121-I138 HydrophobicContact CG2-CD1 3.86Å
122	F	38.5	Very low	39.9	Very low	83 Å²	83	88 Å²	88	36%	0.364	45%	0.45	S	S	.	.	I	π-helix	trans	-84.4	-33.1	-179.7	-94.5	-109.4	0	0	0	114	I118 D119 M127 I193	I118-F122 HydrophobicContact CG2-CD2 3.49Å; I118-F122 VanDerWaalsContact CG2-CD2 3.49Å; I118-F122 HydrophobicContact CG2-CE2 3.71Å; I118-F122 HydrophobicContact CG2-CG 4.35Å; I118-F122 VanDerWaalsContact O-CB 3.26Å; I118-F122 WeakPolarHBondContact O-CB 3.39Å; I118-F122 WeakPolarHBondContact O-CD2 3.43Å; I118-F122 PolarHBondContact O-N 3.26Å; D119-F122 PolarHBondContact O-N 2.92Å; F122-M127 HydrophobicContact CD1-CE 3.9Å; F122-M127 HydrophobicContact CD1-SD 3.96Å; F122-M127 HydrophobicContact CE1-CE 4.44Å; F122-M127 HydrophobicContact CE1-SD 4.04Å; F122-I193 HydrophobicContact CZ-CG2 4.17Å
123	W	36.4	Very low	40.3	Very low	211 Å²	211	91.7 Å²	91.7	80%	0.799	46%	0.455	S	S	*	.	I	π-helix	trans	-101.1	-30.4	-177.9	-64	99.4	0	0	0	113.8	D119	D119-W123 VanDerWaalsContact O-CB 3.28Å; D119-W123 WeakPolarHBondContact O-CB 3.04Å; D119-W123 VanDerWaalsContact O-CD1 3.3Å; D119-W123 PolarHBondContact O-N 3.33Å; D119-W123 PolarHBondContact OD1-NE1 2.97Å
124	Q	36.4	Very low	41	Very low	147 Å²	147	88.6 Å²	88.6	69%	0.687	44%	0.443	S	S	*	.	I	π-helix	trans	-80.7	-32.7	176.1	-161.8	179.2	-19.2	0	0	112.1	T120	T120-Q124 HydrophobicContact CG2-CB 4.24Å; T120-Q124 WeakPolarHBondContact O-CA 3.42Å; T120-Q124 WeakPolarHBondContact O-CB 3.27Å; T120-Q124 PolarHBondContact O-N 3.46Å
125	F	36.6	Very low	41.7	Very low	94 Å²	94	85.5 Å²	85.5	41%	0.412	43%	0.426	S	S	.	.	S	Bend	trans	-94.2	107.3	170	-72.8	-99.4	0	0	0	110.1	I121 M127	I121-F125 WeakPolarHBondContact O-CB 3.33Å; F125-M127 PolarHBondContact O-N 3.34Å
126	D	36.2	Very low	42.5	Very low	82 Å²	82	86.6 Å²	86.6	44%	0.439	43%	0.426	S	S	.	.			trans	-44.9	105.3	163.3	-179.7	2	0	0	0	109.6	Q128 Q129	D126-Q128 PolarHBondContact O-N 2.97Å; D126-Q128 PolarHBondContact OD1-N 3.16Å; D126-Q129 HydrophobicContact CB-CG 4.45Å; D126-Q129 PolarHBondContact O-N 3.21Å; D126-Q129 PolarHBondContact OD2-NE2 3.39Å
127	M	38.4	Very low	43.3	Very low	94 Å²	94	88.9 Å²	88.9	46%	0.463	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-13.9	-171.7	-98.7	-173.9	-83.1	0	0	114	F122 F125 Q129	F122-M127 HydrophobicContact CD1-CE 3.9Å; F122-M127 HydrophobicContact CD1-SD 3.96Å; F122-M127 HydrophobicContact CE1-CE 4.44Å; F122-M127 HydrophobicContact CE1-SD 4.04Å; F125-M127 PolarHBondContact O-N 3.34Å; M127-Q129 VanDerWaalsContact C-N 3.34Å
128	Q	35.1	Very low	43.9	Very low	163 Å²	163	87.9 Å²	87.9	76%	0.762	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.4	174.2	-56.9	-167.7	10.6	0	0	113.9	D126	D126-Q128 PolarHBondContact O-N 2.97Å; D126-Q128 PolarHBondContact OD1-N 3.16Å
129	Q	38.4	Very low	44.4	Very low	145 Å²	145	84.7 Å²	84.7	68%	0.678	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	-18.4	-168.9	-60.6	-164.4	68.2	0	0	115.3	D126 M127 T131	D126-Q129 HydrophobicContact CB-CG 4.45Å; D126-Q129 PolarHBondContact O-N 3.21Å; D126-Q129 PolarHBondContact OD2-NE2 3.39Å; M127-Q129 VanDerWaalsContact C-N 3.34Å; Q129-T131 PolarHBondContact O-N 3.21Å
130	I	48.2	Very low	45.3	Very low	28 Å²	28	84.9 Å²	84.9	14%	0.144	40%	0.401	C	S	.	.			trans	-57.3	137.8	-178.9	-160.5	168.2	0	0	0	112.1	E134 I138 R189	I130-E134 HydrophobicContact CD1-CB 4.41Å; I130-E134 HydrophobicContact CG1-CB 3.84Å; I130-I138 HydrophobicContact CD1-CD1 3.83Å; I130-R189 PolarHBondContact O-NH1 3.37Å; I130-R189 PolarHBondContact O-NH2 3.38Å
131	T	52.3	Low	46	Very low	61 Å²	61	91 Å²	91	37%	0.374	42%	0.417	S	S	.	.			trans	-92.5	169.7	-174.6	62.8	0	0	0	0	112.9	Q129 E134 L135	Q129-T131 PolarHBondContact O-N 3.21Å; T131-E134 WeakPolarHBondContact CB-OE2 3.45Å; T131-E134 WeakPolarHBondContact CG2-OE2 3.45Å; T131-E134 PolarHBondContact N-OE2 3.46Å; T131-E134 VanDerWaalsContact OG1-CD 3.22Å; T131-E134 VanDerWaalsContact OG1-CG 3.26Å; T131-E134 WeakPolarHBondContact OG1-CG 3.39Å; T131-E134 PolarHBondContact OG1-N 2.64Å; T131-E134 PolarHBondContact OG1-OE2 3.46Å; T131-L135 PolarHBondContact O-N 3.48Å; T131-L135 VanDerWaalsContact O-N 3.13Å
132	L	51.5	Low	46.5	Very low	49 Å²	49	90.9 Å²	90.9	26%	0.257	42%	0.424	S	S	.	.	H	α-helix	trans	-71.9	-36.2	178.6	-165.7	74.1	0	0	0	111.3	L135 K136 I156	L132-L135 PolarHBondContact O-N 3.31Å; L132-K136 PolarHBondContact O-N 3.17Å; L132-I156 HydrophobicContact CD1-CG2 4.23Å; L132-I156 HydrophobicContact CD2-CG2 4.37Å
133	E	51.6	Low	47	Very low	125 Å²	125	89 Å²	89	58%	0.584	42%	0.416	S	S	*	.	H	α-helix	trans	-60.4	-45.9	172	-79.1	63.9	-147	0	0	112.3	K136 H137	E133-K136 PolarHBondContact O-N 3.24Å; E133-H137 PolarHBondContact O-N 2.73Å
134	E	51.5	Low	47.8	Very low	70 Å²	70	86.4 Å²	86.4	33%	0.327	41%	0.406	S	S	.	.	H	α-helix	trans	-63.4	-43.5	176.6	-73.2	163.3	141.4	0	0	111.3	I130 T131 K136 H137 I138	I130-E134 HydrophobicContact CD1-CB 4.41Å; I130-E134 HydrophobicContact CG1-CB 3.84Å; T131-E134 WeakPolarHBondContact CB-OE2 3.45Å; T131-E134 WeakPolarHBondContact CG2-OE2 3.45Å; T131-E134 PolarHBondContact N-OE2 3.46Å; T131-E134 VanDerWaalsContact OG1-CD 3.22Å; T131-E134 VanDerWaalsContact OG1-CG 3.26Å; T131-E134 WeakPolarHBondContact OG1-CG 3.39Å; T131-E134 PolarHBondContact OG1-N 2.64Å; T131-E134 PolarHBondContact OG1-OE2 3.46Å; E134-K136 PolarHBondContact O-N 3.03Å; E134-H137 PolarHBondContact O-N 3.04Å; E134-I138 WeakPolarHBondContact O-CG1 3.17Å; E134-I138 PolarHBondContact O-N 3.16Å
135	L	55.2	Low	48.3	Very low	12 Å²	12	85.4 Å²	85.4	6%	0.063	41%	0.406	C	S	.	.	H	α-helix	trans	-61	-43.5	174.7	178.8	61.7	0	0	0	112.4	T131 L132 H137 I138 L139 R189 I193	T131-L135 PolarHBondContact O-N 3.48Å; T131-L135 VanDerWaalsContact O-N 3.13Å; L132-L135 PolarHBondContact O-N 3.31Å; L135-H137 VanDerWaalsContact C-N 3.32Å; L135-H137 PolarHBondContact O-N 2.7Å; L135-I138 PolarHBondContact O-N 3.24Å; L135-L139 HydrophobicContact CD1-CD1 4.03Å; L135-L139 HydrophobicContact CD1-CG 4.25Å; L135-L139 HydrophobicContact CG-CD1 4.03Å; L135-L139 WeakPolarHBondContact O-CB 3.37Å; L135-L139 WeakPolarHBondContact O-CG 3Å; L135-L139 PolarHBondContact O-N 3.2Å; L135-R189 HydrophobicContact CD2-CB 4.23Å; L135-R189 HydrophobicContact CD2-CG 3.71Å; L135-I193 HydrophobicContact CD1-CD1 3.48Å; L135-I193 VanDerWaalsContact CD1-CD1 3.48Å
136	K	53.7	Low	48.7	Very low	38 Å²	38	88.1 Å²	88.1	17%	0.165	42%	0.419	C	S	.	.	H	α-helix	trans	-58.8	-43.2	173.1	-88.8	-173.7	176.8	176.4	0	111.5	L132 E133 E134 F140 I152 E153 I156	L132-K136 PolarHBondContact O-N 3.17Å; E133-K136 PolarHBondContact O-N 3.24Å; E134-K136 PolarHBondContact O-N 3.03Å; K136-F140 WeakPolarHBondContact O-CB 3.48Å; K136-F140 PolarHBondContact O-N 2.97Å; K136-I152 HydrophobicContact CG-CG2 4.2Å; K136-E153 IonicContact NZ-OE1 2.82Å; K136-E153 PolarHBondContact NZ-OE1 3.47Å; K136-I156 HydrophobicContact CD-CD1 4.45Å; K136-I156 HydrophobicContact CG-CD1 3.73Å
137	H	53.8	Low	49.4	Very low	125 Å²	125	86 Å²	86	58%	0.579	41%	0.408	S	S	*	.	H	α-helix	trans	-65.7	-41.5	179	-104.9	-98.3	0	0	0	112.5	E133 E134 L135 Y141	E133-H137 PolarHBondContact O-N 2.73Å; E134-H137 PolarHBondContact O-N 3.04Å; L135-H137 VanDerWaalsContact C-N 3.32Å; L135-H137 PolarHBondContact O-N 2.7Å; H137-Y141 WeakPolarHBondContact O-CB 3.46Å; H137-Y141 PolarHBondContact O-N 3.22Å
138	I	52.7	Low	50.3	Low	54 Å²	54	85.3 Å²	85.3	28%	0.277	41%	0.409	S	S	.	.	H	α-helix	trans	-64.4	-49.7	176.6	-68.4	160.1	0	0	0	110.6	I121 I130 E134 L135 F140 Y141 A142	I121-I138 HydrophobicContact CD1-CG1 4.45Å; I121-I138 HydrophobicContact CG2-CD1 3.86Å; I130-I138 HydrophobicContact CD1-CD1 3.83Å; E134-I138 WeakPolarHBondContact O-CG1 3.17Å; E134-I138 PolarHBondContact O-N 3.16Å; L135-I138 PolarHBondContact O-N 3.24Å; I138-F140 VanDerWaalsContact C-N 3.35Å; I138-F140 PolarHBondContact O-N 3.03Å; I138-Y141 PolarHBondContact O-N 3.03Å; I138-A142 WeakPolarHBondContact O-CB 3.43Å; I138-A142 PolarHBondContact O-N 3.42Å
139	L	51.8	Low	51.3	Low	4 Å²	4	81.2 Å²	81.2	2%	0.021	39%	0.391	C	S	.	.	H	α-helix	trans	-61.5	-42.1	177.3	-73.9	168.4	0	0	0	112	L135 F143 I152 L192 F196	L135-L139 HydrophobicContact CD1-CD1 4.03Å; L135-L139 HydrophobicContact CD1-CG 4.25Å; L135-L139 HydrophobicContact CG-CD1 4.03Å; L135-L139 WeakPolarHBondContact O-CB 3.37Å; L135-L139 WeakPolarHBondContact O-CG 3Å; L135-L139 PolarHBondContact O-N 3.2Å; L139-F143 HydrophobicContact CD2-CD2 4.19Å; L139-F143 HydrophobicContact CD2-CE2 4.15Å; L139-F143 WeakPolarHBondContact O-CD2 3.48Å; L139-F143 PolarHBondContact O-N 2.81Å; L139-I152 HydrophobicContact CB-CD1 4.18Å; L139-I152 HydrophobicContact CB-CG2 4.24Å; L139-I152 HydrophobicContact CD1-CG2 4.24Å; L139-L192 HydrophobicContact CD1-CD2 3.77Å; L139-L192 HydrophobicContact CD1-CG 4.48Å; L139-F196 HydrophobicContact CD2-CD1 4.13Å; L139-F196 HydrophobicContact CD2-CD2 3.93Å; L139-F196 HydrophobicContact CD2-CE1 4.07Å; L139-F196 HydrophobicContact CD2-CE2 3.92Å; L139-F196 HydrophobicContact CD2-CG 4.02Å; L139-F196 HydrophobicContact CD2-CZ 3.96Å
140	F	56.2	Low	52	Low	76 Å²	76	81.2 Å²	81.2	33%	0.333	39%	0.389	S	S	.	.	H	α-helix	trans	-66.5	-36.7	177.6	-179.4	-106.7	0	0	0	112.1	K136 I138 R144 M149 I152	K136-F140 WeakPolarHBondContact O-CB 3.48Å; K136-F140 PolarHBondContact O-N 2.97Å; I138-F140 VanDerWaalsContact C-N 3.35Å; I138-F140 PolarHBondContact O-N 3.03Å; F140-R144 VanDerWaalsContact O-CA 3.26Å; F140-R144 WeakPolarHBondContact O-CA 3.23Å; F140-R144 WeakPolarHBondContact O-CB 3.21Å; F140-R144 PolarHBondContact O-N 3.36Å; F140-R144 VanDerWaalsContact O-N 3.14Å; F140-M149 HydrophobicContact CD2-CB 3.89Å; F140-M149 HydrophobicContact CD2-CG 4.2Å; F140-M149 HydrophobicContact CE2-CB 3.97Å; F140-I152 HydrophobicContact CB-CD1 3.8Å; F140-I152 HydrophobicContact CD2-CD1 4.18Å
141	Y	53.7	Low	52.2	Low	197 Å²	197	82.9 Å²	82.9	77%	0.773	40%	0.398	S	S	*	.	H	α-helix	trans	-72.5	-43.8	177.5	-165.7	-91.9	0	0	0	112.1	H137 I138	H137-Y141 WeakPolarHBondContact O-CB 3.46Å; H137-Y141 PolarHBondContact O-N 3.22Å; I138-Y141 PolarHBondContact O-N 3.03Å
142	A	48.9	Very low	52.2	Low	50 Å²	50	80.1 Å²	80.1	41%	0.413	38%	0.38	S	S	.	.	H	α-helix	trans	-70.5	-30.9	-178.1	0	0	0	0	0	113.9	I138	I138-A142 WeakPolarHBondContact O-CB 3.43Å; I138-A142 PolarHBondContact O-N 3.42Å
143	F	49.4	Very low	52.3	Low	44 Å²	44	81.7 Å²	81.7	19%	0.193	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	20.1	-173.4	-57.9	-77.4	0	0	0	114	L139 D145 H146 L147 F196 F200	L139-F143 HydrophobicContact CD2-CD2 4.19Å; L139-F143 HydrophobicContact CD2-CE2 4.15Å; L139-F143 WeakPolarHBondContact O-CD2 3.48Å; L139-F143 PolarHBondContact O-N 2.81Å; F143-D145 PolarHBondContact O-N 2.84Å; F143-H146 PolarHBondContact O-N 2.94Å; F143-L147 HydrophobicContact CB-CB 4.49Å; F143-L147 HydrophobicContact CB-CD1 4.12Å; F143-L147 PolarHBondContact O-N 2.89Å; F143-F196 HydrophobicContact CB-CE1 4.22Å; F143-F196 HydrophobicContact CD1-CD1 4.03Å; F143-F196 HydrophobicContact CD1-CE1 4.25Å; F143-F196 AromaticContact CD2-CD1 3.41Å; F143-F196 HydrophobicContact CD2-CD1 3.41Å; F143-F196 VanDerWaalsContact CD2-CD1 3.41Å; F143-F196 AromaticContact CD2-CE1 3.46Å; F143-F196 HydrophobicContact CD2-CE1 3.46Å; F143-F196 VanDerWaalsContact CD2-CE1 3.46Å; F143-F196 HydrophobicContact CD2-CG 4.48Å; F143-F196 AromaticContact CE1-CD1 3.9Å; F143-F196 HydrophobicContact CE1-CD1 3.9Å; F143-F196 HydrophobicContact CE2-CB 4.21Å; F143-F196 AromaticContact CE2-CD1 3.28Å; F143-F196 HydrophobicContact CE2-CD1 3.28Å; F143-F196 AromaticContact CE2-CE1 3.85Å; F143-F196 HydrophobicContact CE2-CE1 3.85Å; F143-F196 HydrophobicContact CE2-CG 4.04Å; F143-F196 AromaticContact CG-CD1 3.81Å; F143-F196 HydrophobicContact CG-CD1 3.81Å; F143-F196 AromaticContact CG-CE1 3.69Å; F143-F196 HydrophobicContact CG-CE1 3.69Å; F143-F196 HydrophobicContact CZ-CB 4.13Å; F143-F196 AromaticContact CZ-CD1 3.54Å; F143-F196 HydrophobicContact CZ-CD1 3.54Å; F143-F196 HydrophobicContact CZ-CE1 4.4Å; F143-F196 HydrophobicContact CZ-CG 4.29Å; F143-F200 HydrophobicContact CE1-CD2 4.4Å
144	R	52.7	Low	52.4	Low	157 Å²	157	79.5 Å²	79.5	59%	0.592	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-30.8	-172.9	96.4	-175.5	-173.7	-170	-1.3	114.5	F140 H146	F140-R144 VanDerWaalsContact O-CA 3.26Å; F140-R144 WeakPolarHBondContact O-CA 3.23Å; F140-R144 WeakPolarHBondContact O-CB 3.21Å; F140-R144 PolarHBondContact O-N 3.36Å; F140-R144 VanDerWaalsContact O-N 3.14Å; R144-H146 VanDerWaalsContact C-N 3.3Å
145	D	46.3	Very low	52.5	Low	125 Å²	125	78.8 Å²	78.8	67%	0.668	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-2	-175.3	-58.3	-35.1	0	0	0	112	F143	F143-D145 PolarHBondContact O-N 2.84Å
146	H	44.4	Very low	52.3	Low	151 Å²	151	79.4 Å²	79.4	70%	0.699	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.5	-25.4	-178.2	-66.4	-14.5	0	0	0	114.1	F143 R144	F143-H146 PolarHBondContact O-N 2.94Å; R144-H146 VanDerWaalsContact C-N 3.3Å
147	L	51.3	Low	52.3	Low	39 Å²	39	82 Å²	82	20%	0.204	40%	0.395	C	S	.	.			trans	-133.7	129.7	-177.8	-79.4	153	0	0	0	110.7	F143 D151 I152 I155 F196	F143-L147 HydrophobicContact CB-CB 4.49Å; F143-L147 HydrophobicContact CB-CD1 4.12Å; F143-L147 PolarHBondContact O-N 2.89Å; L147-D151 HydrophobicContact CD2-CB 3.67Å; L147-I152 HydrophobicContact CB-CG1 4.3Å; L147-I155 HydrophobicContact CD2-CD1 4Å; L147-F196 HydrophobicContact CD1-CD1 4.44Å; L147-F196 HydrophobicContact CD1-CE1 3.26Å; L147-F196 HydrophobicContact CD1-CZ 3.5Å; L147-F196 VanDerWaalsContact CD1-CZ 3.5Å
148	T	57.1	Low	52	Low	79 Å²	79	81.2 Å²	81.2	49%	0.485	40%	0.395	S	S	.	.			trans	-78.4	158.1	172.9	77.5	0	0	0	0	110.1	K150 D151 I152	T148-K150 PolarHBondContact O-N 2.91Å; T148-D151 WeakPolarHBondContact CA-OD2 3.39Å; T148-D151 VanDerWaalsContact CB-OD2 3.25Å; T148-D151 WeakPolarHBondContact CB-OD2 3.14Å; T148-D151 WeakPolarHBondContact CG2-OD2 3.45Å; T148-D151 PolarHBondContact N-OD2 2.89Å; T148-D151 WeakPolarHBondContact O-CB 3.35Å; T148-D151 PolarHBondContact O-N 3.21Å; T148-D151 VanDerWaalsContact OG1-CG 3.26Å; T148-D151 PolarHBondContact OG1-N 2.91Å; T148-D151 PolarHBondContact OG1-OD2 2.96Å; T148-I152 PolarHBondContact O-N 2.98Å
149	M	55.8	Low	51.8	Low	77 Å²	77	81 Å²	81	38%	0.379	39%	0.393	S	S	.	.	H	α-helix	trans	-55	-32.6	178.3	-157.9	165	-152.5	0	0	112.2	F140 I152 E153	F140-M149 HydrophobicContact CD2-CB 3.89Å; F140-M149 HydrophobicContact CD2-CG 4.2Å; F140-M149 HydrophobicContact CE2-CB 3.97Å; M149-I152 WeakPolarHBondContact O-CB 3.34Å; M149-I152 PolarHBondContact O-N 3.34Å; M149-E153 WeakPolarHBondContact O-CG 3.42Å; M149-E153 PolarHBondContact O-N 3.12Å
150	K	54.2	Low	51.6	Low	145 Å²	145	86.2 Å²	86.2	63%	0.63	42%	0.417	S	S	*	.	H	α-helix	trans	-71.1	-33.3	178.1	-163.5	172.4	-173.4	176.7	0	113.4	T148 I152 E153 N154	T148-K150 PolarHBondContact O-N 2.91Å; K150-I152 VanDerWaalsContact C-N 3.34Å; K150-E153 PolarHBondContact O-N 2.96Å; K150-N154 PolarHBondContact O-N 3.12Å; K150-N154 PolarHBondContact O-ND2 3.47Å
151	D	51.6	Low	51.1	Low	62 Å²	62	88.8 Å²	88.8	33%	0.332	43%	0.43	S	S	.	.	H	α-helix	trans	-68.2	-39.7	173.9	-53.9	-50.7	0	0	0	110.2	L147 T148 E153 N154 I155	L147-D151 HydrophobicContact CD2-CB 3.67Å; T148-D151 WeakPolarHBondContact CA-OD2 3.39Å; T148-D151 VanDerWaalsContact CB-OD2 3.25Å; T148-D151 WeakPolarHBondContact CB-OD2 3.14Å; T148-D151 WeakPolarHBondContact CG2-OD2 3.45Å; T148-D151 PolarHBondContact N-OD2 2.89Å; T148-D151 WeakPolarHBondContact O-CB 3.35Å; T148-D151 PolarHBondContact O-N 3.21Å; T148-D151 VanDerWaalsContact OG1-CG 3.26Å; T148-D151 PolarHBondContact OG1-N 2.91Å; T148-D151 PolarHBondContact OG1-OD2 2.96Å; D151-E153 VanDerWaalsContact C-N 3.33Å; D151-E153 PolarHBondContact O-N 3.42Å; D151-N154 PolarHBondContact O-N 3.41Å; D151-I155 WeakPolarHBondContact O-CB 3.16Å; D151-I155 WeakPolarHBondContact O-CD1 3.49Å; D151-I155 WeakPolarHBondContact O-CG1 3.29Å; D151-I155 PolarHBondContact O-N 2.97Å
152	I	53.5	Low	50.5	Low	3 Å²	3	83.3 Å²	83.3	2%	0.015	42%	0.42	C	S	.	.	H	α-helix	trans	-61.9	-40	173.4	-58.4	170	0	0	0	110.8	K136 L139 F140 L147 T148 M149 K150 I156	K136-I152 HydrophobicContact CG-CG2 4.2Å; L139-I152 HydrophobicContact CB-CD1 4.18Å; L139-I152 HydrophobicContact CB-CG2 4.24Å; L139-I152 HydrophobicContact CD1-CG2 4.24Å; F140-I152 HydrophobicContact CB-CD1 3.8Å; F140-I152 HydrophobicContact CD2-CD1 4.18Å; L147-I152 HydrophobicContact CB-CG1 4.3Å; T148-I152 PolarHBondContact O-N 2.98Å; M149-I152 WeakPolarHBondContact O-CB 3.34Å; M149-I152 PolarHBondContact O-N 3.34Å; K150-I152 VanDerWaalsContact C-N 3.34Å; I152-I156 HydrophobicContact CG2-CD1 4.06Å; I152-I156 WeakPolarHBondContact O-CD1 3.43Å; I152-I156 VanDerWaalsContact O-CG1 3.27Å; I152-I156 WeakPolarHBondContact O-CG1 3.29Å; I152-I156 PolarHBondContact O-N 2.82Å
153	E	53.8	Low	50.2	Low	82 Å²	82	83.7 Å²	83.7	38%	0.383	42%	0.415	S	S	.	.	H	α-helix	trans	-64.2	-45.8	173.1	-46.5	-154.2	117.1	0	0	112.1	K136 M149 K150 D151 I155 I156 I157	K136-E153 IonicContact NZ-OE1 2.82Å; K136-E153 PolarHBondContact NZ-OE1 3.47Å; M149-E153 WeakPolarHBondContact O-CG 3.42Å; M149-E153 PolarHBondContact O-N 3.12Å; K150-E153 PolarHBondContact O-N 2.96Å; D151-E153 VanDerWaalsContact C-N 3.33Å; D151-E153 PolarHBondContact O-N 3.42Å; E153-I155 PolarHBondContact O-N 2.77Å; E153-I156 PolarHBondContact O-N 3.35Å; E153-I157 WeakPolarHBondContact O-CB 3.23Å; E153-I157 WeakPolarHBondContact O-CD1 3.31Å; E153-I157 VanDerWaalsContact O-CG1 3.24Å; E153-I157 WeakPolarHBondContact O-CG1 3.27Å; E153-I157 PolarHBondContact O-N 3.03Å
154	N	53	Low	49.9	Very low	80 Å²	80	87.4 Å²	87.4	43%	0.428	43%	0.431	S	S	.	.	H	α-helix	trans	-62.3	-40.3	-179.9	-70.8	-22.9	0	0	0	112.3	K150 D151 I157 N158	K150-N154 PolarHBondContact O-N 3.12Å; K150-N154 PolarHBondContact O-ND2 3.47Å; D151-N154 PolarHBondContact O-N 3.41Å; N154-I157 PolarHBondContact O-N 2.91Å; N154-N158 WeakPolarHBondContact O-CB 3.33Å; N154-N158 PolarHBondContact O-N 3.16Å
155	I	52.8	Low	49.5	Very low	54 Å²	54	88.1 Å²	88.1	28%	0.277	44%	0.441	S	S	.	.	H	α-helix	trans	-61.3	-48.4	176.5	-69.8	161.5	0	0	0	110.2	L147 D151 E153 I157 N158 E159 L192	L147-I155 HydrophobicContact CD2-CD1 4Å; D151-I155 WeakPolarHBondContact O-CB 3.16Å; D151-I155 WeakPolarHBondContact O-CD1 3.49Å; D151-I155 WeakPolarHBondContact O-CG1 3.29Å; D151-I155 PolarHBondContact O-N 2.97Å; E153-I155 PolarHBondContact O-N 2.77Å; I155-I157 VanDerWaalsContact C-N 3.3Å; I155-I157 PolarHBondContact O-N 2.82Å; I155-N158 PolarHBondContact O-N 3.39Å; I155-E159 PolarHBondContact O-N 2.59Å; I155-E159 VanDerWaalsContact O-N 3.16Å; I155-L192 HydrophobicContact CG2-CD1 3.67Å
156	I	52	Low	49.3	Very low	25 Å²	25	89 Å²	89	13%	0.128	45%	0.446	C	S	.	.	H	α-helix	trans	-61.2	-39.1	178	-67.4	166.5	0	0	0	111.4	L132 K136 I152 E153 E160 L192	L132-I156 HydrophobicContact CD1-CG2 4.23Å; L132-I156 HydrophobicContact CD2-CG2 4.37Å; K136-I156 HydrophobicContact CD-CD1 4.45Å; K136-I156 HydrophobicContact CG-CD1 3.73Å; I152-I156 HydrophobicContact CG2-CD1 4.06Å; I152-I156 WeakPolarHBondContact O-CD1 3.43Å; I152-I156 VanDerWaalsContact O-CG1 3.27Å; I152-I156 WeakPolarHBondContact O-CG1 3.29Å; I152-I156 PolarHBondContact O-N 2.82Å; E153-I156 PolarHBondContact O-N 3.35Å; I156-E160 PolarHBondContact O-N 2.73Å; I156-L192 HydrophobicContact CG1-CD2 4.38Å
157	I	53.7	Low	49.2	Very low	93 Å²	93	85.7 Å²	85.7	48%	0.477	44%	0.439	S	S	.	.	H	α-helix	trans	-70.8	-45	179.9	-69.4	164.4	0	0	0	111.6	E153 N154 I155 E159 E160 E161	E153-I157 WeakPolarHBondContact O-CB 3.23Å; E153-I157 WeakPolarHBondContact O-CD1 3.31Å; E153-I157 VanDerWaalsContact O-CG1 3.24Å; E153-I157 WeakPolarHBondContact O-CG1 3.27Å; E153-I157 PolarHBondContact O-N 3.03Å; N154-I157 PolarHBondContact O-N 2.91Å; I155-I157 VanDerWaalsContact C-N 3.3Å; I155-I157 PolarHBondContact O-N 2.82Å; I157-E159 VanDerWaalsContact C-N 3.32Å; I157-E159 PolarHBondContact O-N 2.76Å; I157-E160 PolarHBondContact O-N 3.19Å; I157-E160 VanDerWaalsContact O-N 3.16Å; I157-E161 PolarHBondContact O-N 3.41Å
158	N	46.8	Very low	48.5	Very low	108 Å²	108	86.7 Å²	86.7	58%	0.578	46%	0.459	S	S	*	.	H	α-helix	trans	-61.3	-37.9	178.1	-96.4	18.8	0	0	0	112.6	N154 I155 S162	N154-N158 WeakPolarHBondContact O-CB 3.33Å; N154-N158 PolarHBondContact O-N 3.16Å; I155-N158 PolarHBondContact O-N 3.39Å; N158-S162 WeakPolarHBondContact O-CB 3.47Å; N158-S162 PolarHBondContact O-N 3.31Å; N158-S162 PolarHBondContact O-OG 3.23Å
159	E	49.4	Very low	47.6	Very low	51 Å²	51	90.6 Å²	90.6	24%	0.238	48%	0.477	C	S	.	.	H	α-helix	trans	-68.7	-38.3	174.7	-72.4	-169.1	149.5	0	0	112	I155 I157 E161 L163 V188	I155-E159 PolarHBondContact O-N 2.59Å; I155-E159 VanDerWaalsContact O-N 3.16Å; I157-E159 VanDerWaalsContact C-N 3.32Å; I157-E159 PolarHBondContact O-N 2.76Å; E159-E161 VanDerWaalsContact C-N 3.32Å; E159-E161 PolarHBondContact O-N 2.88Å; E159-L163 WeakPolarHBondContact O-CD1 3.26Å; E159-L163 VanDerWaalsContact O-CG 3.3Å; E159-L163 WeakPolarHBondContact O-CG 3.04Å; E159-L163 PolarHBondContact O-N 3.14Å; E159-V188 HydrophobicContact CB-CG1 4.12Å; E159-V188 WeakPolarHBondContact OE2-CG1 3.19Å
160	E	46.9	Very low	46.5	Very low	113 Å²	113	93 Å²	93	53%	0.528	50%	0.5	S	S	.	.	H	α-helix	trans	-65.2	-35.6	176.2	-158.2	-158.8	139.3	0	0	112.3	I156 I157 K164	I156-E160 PolarHBondContact O-N 2.73Å; I157-E160 PolarHBondContact O-N 3.19Å; I157-E160 VanDerWaalsContact O-N 3.16Å; E160-K164 IonicContact OE1-NZ 2.67Å; E160-K164 PolarHBondContact OE1-NZ 3.38Å
161	E	46.6	Very low	45.6	Very low	130 Å²	130	95.4 Å²	95.4	61%	0.607	51%	0.514	S	S	*	.	H	α-helix	trans	-74.1	-45.6	178.4	-165	158.7	-130.8	0	0	112	I157 E159 L163 K164	I157-E161 PolarHBondContact O-N 3.41Å; E159-E161 VanDerWaalsContact C-N 3.32Å; E159-E161 PolarHBondContact O-N 2.88Å; E161-L163 PolarHBondContact O-N 3.45Å; E161-K164 WeakPolarHBondContact O-CB 3.01Å; E161-K164 PolarHBondContact O-N 2.89Å
162	S	40	Very low	44.6	Very low	81 Å²	81	99.1 Å²	99.1	57%	0.566	54%	0.539	S	S	*	.	H	α-helix	trans	-58.1	-31.4	176	-65	0	0	0	0	113	N158 K164	N158-S162 WeakPolarHBondContact O-CB 3.47Å; N158-S162 PolarHBondContact O-N 3.31Å; N158-S162 PolarHBondContact O-OG 3.23Å; S162-K164 VanDerWaalsContact C-N 3.34Å
163	L	42.3	Very low	44.1	Very low	58 Å²	58	108.5 Å²	108.5	30%	0.304	58%	0.583	S	S	.	*	H	α-helix	trans	-76.4	-14.7	175.4	-72.3	167.2	0	0	0	114.1	E159 E161 R184 V188	E159-L163 WeakPolarHBondContact O-CD1 3.26Å; E159-L163 VanDerWaalsContact O-CG 3.3Å; E159-L163 WeakPolarHBondContact O-CG 3.04Å; E159-L163 PolarHBondContact O-N 3.14Å; E161-L163 PolarHBondContact O-N 3.45Å; L163-R184 PolarHBondContact O-NH1 3.31Å; L163-R184 PolarHBondContact O-NH2 3Å; L163-V188 HydrophobicContact CD1-CG2 3.44Å; L163-V188 VanDerWaalsContact CD1-CG2 3.44Å
164	K	43.9	Very low	43	Very low	122 Å²	122	114.2 Å²	114.2	53%	0.53	61%	0.606	S	S	.	*	H	α-helix	trans	-79	-44.4	174.7	-75	171.3	-174.9	154.5	0	111.2	E160 E161 S162 N166 S167	E160-K164 IonicContact OE1-NZ 2.67Å; E160-K164 PolarHBondContact OE1-NZ 3.38Å; E161-K164 WeakPolarHBondContact O-CB 3.01Å; E161-K164 PolarHBondContact O-N 2.89Å; S162-K164 VanDerWaalsContact C-N 3.34Å; K164-N166 PolarHBondContact O-N 2.9Å; K164-S167 PolarHBondContact O-N 3.23Å; K164-S167 PolarHBondContact O-OG 3.45Å
165	E	44.4	Very low	42.4	Very low	172 Å²	172	119.7 Å²	119.7	80%	0.804	63%	0.63	S	S	*	*	H	α-helix	trans	-62.5	-40	179.9	-62.7	-158.9	131.2	0	0	113	S167 G168	E165-S167 PolarHBondContact O-N 2.96Å; E165-G168 PolarHBondContact O-N 3.07Å
166	N	42.7	Very low	41.6	Very low	145 Å²	145	120 Å²	120	78%	0.775	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	10.8	-178.2	-158.7	25.8	0	0	0	115	K164	K164-N166 PolarHBondContact O-N 2.9Å
167	S	40.8	Very low	40.7	Very low	80 Å²	80	125.6 Å²	125.6	56%	0.559	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	2.2	175.4	65.5	0	0	0	0	114.7	K164 E165	K164-S167 PolarHBondContact O-N 3.23Å; K164-S167 PolarHBondContact O-OG 3.45Å; E165-S167 PolarHBondContact O-N 2.96Å
168	G	36.3	Very low	40.3	Very low	60 Å²	60	128.1 Å²	128.1	62%	0.619	69%	0.69	S	S	*	*	S	Bend	trans	-76	-21.2	-172.1	0	0	0	0	0	117.4	E165	E165-G168 PolarHBondContact O-N 3.07Å
169	N	38.9	Very low	39.9	Very low	162 Å²	162	127.9 Å²	127.9	87%	0.866	70%	0.695	S	S	*	*	S	Bend	trans	-119.7	23.5	-154.6	-107.5	56.4	0	0	0	117.7
170	C	32.7	Very low	39.2	Very low	127 Å²	127	129.2 Å²	129.2	86%	0.858	71%	0.71	S	S	*	*			trans	-136.9	87.4	168.9	-87.8	0	0	0	0	112
171	Q	34.8	Very low	38.9	Very low	196 Å²	196	131.9 Å²	131.9	92%	0.916	72%	0.72	S	S	*	*			trans	-98.4	104.9	160.3	-74.9	-174	-23.3	0	0	109.6
172	T	32.3	Very low	38.3	Very low	140 Å²	140	134.1 Å²	134.1	86%	0.859	73%	0.727	S	S	*	*			trans	-135.3	136	147.5	33.2	0	0	0	0	107.8
173	E	42.3	Very low	38	Very low	200 Å²	200	136.1 Å²	136.1	94%	0.935	73%	0.732	S	S	*	*			trans	-77.1	125.4	-163.4	-62.5	162.7	114.3	0	0	112.1
174	F	30.1	Very low	37.7	Very low	201 Å²	201	138.4 Å²	138.4	88%	0.882	74%	0.736	S	S	*	*			trans	-147.3	122	148.4	-154.4	-99.7	0	0	0	110.9
175	E	41.4	Very low	37.2	Very low	196 Å²	196	137.3 Å²	137.3	92%	0.916	73%	0.733	S	S	*	*			trans	-86.7	112.1	-175.1	-169.6	177.9	-176.7	0	0	110
176	G	35.7	Very low	36.6	Very low	60 Å²	60	131.8 Å²	131.8	62%	0.619	71%	0.711	S	S	*	*			trans	175.8	88.7	-178.6	0	0	0	0	0	117.2
177	V	33.2	Very low	36.3	Very low	143 Å²	143	128.9 Å²	128.9	87%	0.867	70%	0.701	S	S	*	*			trans	59.9	117.9	153.9	-170.4	0	0	0	0	118.5	P179	V177-P179 WeakPolarHBondContact O-CD 3.17Å
178	H	45	Very low	36.1	Very low	145 Å²	145	126.7 Å²	126.7	67%	0.671	68%	0.684	S	S	*	*			trans	-67	132.9	177.6	-129.3	-95.9	0	0	0	113.8
179	P	38.1	Very low	36.1	Very low	104 Å²	104	126.2 Å²	126.2	68%	0.675	66%	0.664	S	S	*	*				-138.5	34.6	129.4	39.6	-28.4	0	0	0	114	V177 K181	V177-P179 WeakPolarHBondContact O-CD 3.17Å; P179-K181 PolarHBondContact O-N 3.35Å; P179-K181 VanDerWaalsContact O-N 3.16Å
180	S	34.8	Very low	36.1	Very low	78 Å²	78	125 Å²	125	55%	0.545	65%	0.651	S	S	.	*	H	α-helix	trans	-69.8	-13.1	-164.7	-156.8	0	0	0	0	117.5
181	K	40.7	Very low	36.4	Very low	170 Å²	170	119.9 Å²	119.9	74%	0.739	62%	0.616	S	S	*	*	H	α-helix	trans	-85.3	-34.3	-173.1	-70.5	-169.2	177.2	-175.1	0	115.5	P179	P179-K181 PolarHBondContact O-N 3.35Å; P179-K181 VanDerWaalsContact O-N 3.16Å
182	K	34.3	Very low	36.6	Very low	176 Å²	176	110.9 Å²	110.9	77%	0.765	57%	0.574	S	S	*	*	H	α-helix	trans	-68.4	-43.2	-177.8	-85.5	-170.2	171	-170.1	0	112.5	R184 Q185 T186	K182-R184 VanDerWaalsContact C-N 3.33Å; K182-R184 PolarHBondContact O-N 3.11Å; K182-Q185 PolarHBondContact O-N 3Å; K182-T186 PolarHBondContact O-N 3.4Å; K182-T186 PolarHBondContact O-OG1 3.26Å; K182-T186 VanDerWaalsContact O-OG1 3.06Å
183	N	33.7	Very low	37	Very low	124 Å²	124	107.1 Å²	107.1	66%	0.663	55%	0.549	S	S	*	.	H	α-helix	trans	-65.5	-32.6	-177.5	-72	-0.1	0	0	0	113.6	T186 C187	N183-T186 WeakPolarHBondContact CA-OG1 3.49Å; N183-T186 PolarHBondContact O-OG1 2.83Å; N183-C187 PolarHBondContact O-N 3.47Å
184	R	35.4	Very low	36.8	Very low	105 Å²	105	99.8 Å²	99.8	40%	0.396	52%	0.519	S	S	.	.	H	α-helix	trans	-62.2	-54.3	176.1	-105.8	179.6	172.3	-141.6	-9.3	110.9	L163 K182 T186 C187 V188	L163-R184 PolarHBondContact O-NH1 3.31Å; L163-R184 PolarHBondContact O-NH2 3Å; K182-R184 VanDerWaalsContact C-N 3.33Å; K182-R184 PolarHBondContact O-N 3.11Å; R184-T186 VanDerWaalsContact C-N 3.32Å; R184-T186 PolarHBondContact O-N 3.31Å; R184-C187 WeakPolarHBondContact O-CB 3.47Å; R184-C187 PolarHBondContact O-N 2.61Å; R184-C187 VanDerWaalsContact O-N 3.07Å; R184-V188 WeakPolarHBondContact O-CG2 3.42Å; R184-V188 PolarHBondContact O-N 3.36Å
185	Q	34.1	Very low	37.3	Very low	100 Å²	100	91.8 Å²	91.8	47%	0.467	49%	0.49	S	S	.	.	H	α-helix	trans	-72.6	-22.8	-173.5	-157.8	163.5	11.7	0	0	113.6	K182 R189	K182-Q185 PolarHBondContact O-N 3Å; Q185-R189 WeakPolarHBondContact O-CG 3.21Å
186	T	32.3	Very low	37.4	Very low	55 Å²	55	83.5 Å²	83.5	34%	0.337	45%	0.451	S	S	.	.	H	α-helix	trans	-75.5	-23.5	169.3	47.2	0	0	0	0	113.7	K182 N183 R184	K182-T186 PolarHBondContact O-N 3.4Å; K182-T186 PolarHBondContact O-OG1 3.26Å; K182-T186 VanDerWaalsContact O-OG1 3.06Å; N183-T186 WeakPolarHBondContact CA-OG1 3.49Å; N183-T186 PolarHBondContact O-OG1 2.83Å; R184-T186 VanDerWaalsContact C-N 3.32Å; R184-T186 PolarHBondContact O-N 3.31Å
187	C	34.6	Very low	37.8	Very low	85 Å²	85	83 Å²	83	57%	0.574	44%	0.441	S	S	*	.	H	α-helix	trans	-73	-47.2	175	-164	0	0	0	0	111	N183 R184 R189 K190 S191	N183-C187 PolarHBondContact O-N 3.47Å; R184-C187 WeakPolarHBondContact O-CB 3.47Å; R184-C187 PolarHBondContact O-N 2.61Å; R184-C187 VanDerWaalsContact O-N 3.07Å; C187-R189 VanDerWaalsContact C-N 3.34Å; C187-R189 PolarHBondContact O-N 3.06Å; C187-K190 PolarHBondContact O-N 3.45Å; C187-S191 PolarHBondContact O-N 3.03Å
188	V	37.1	Very low	38.3	Very low	33 Å²	33	78.4 Å²	78.4	20%	0.2	41%	0.41	C	S	.	.	H	α-helix	trans	-54.7	-47.6	-179.9	-167.2	0	0	0	0	111.6	E159 L163 R184 K190 S191 L192	E159-V188 HydrophobicContact CB-CG1 4.12Å; E159-V188 WeakPolarHBondContact OE2-CG1 3.19Å; L163-V188 HydrophobicContact CD1-CG2 3.44Å; L163-V188 VanDerWaalsContact CD1-CG2 3.44Å; R184-V188 WeakPolarHBondContact O-CG2 3.42Å; R184-V188 PolarHBondContact O-N 3.36Å; V188-K190 VanDerWaalsContact C-N 3.34Å; V188-K190 PolarHBondContact O-N 3.36Å; V188-S191 VanDerWaalsContact O-CB 3.26Å; V188-S191 WeakPolarHBondContact O-CB 3.45Å; V188-S191 PolarHBondContact O-N 2.95Å; V188-L192 WeakPolarHBondContact O-CB 3.44Å; V188-L192 PolarHBondContact O-N 3.27Å
189	R	36.9	Very low	38.1	Very low	50 Å²	50	73.6 Å²	73.6	19%	0.189	40%	0.396	C	S	.	.	H	α-helix	trans	-65.9	-32.9	-177.4	-58.6	176.2	-165.3	175.1	-5.9	113.9	I130 L135 Q185 C187 I193	I130-R189 PolarHBondContact O-NH1 3.37Å; I130-R189 PolarHBondContact O-NH2 3.38Å; L135-R189 HydrophobicContact CD2-CB 4.23Å; L135-R189 HydrophobicContact CD2-CG 3.71Å; Q185-R189 WeakPolarHBondContact O-CG 3.21Å; C187-R189 VanDerWaalsContact C-N 3.34Å; C187-R189 PolarHBondContact O-N 3.06Å; R189-I193 PolarHBondContact O-N 2.84Å
190	K	39.5	Very low	38.4	Very low	138 Å²	138	73.6 Å²	73.6	60%	0.6	39%	0.385	S	S	*	.	H	α-helix	trans	-75.1	-37.1	175.6	-72	-174.3	172.5	-165	0	111.6	C187 V188	C187-K190 PolarHBondContact O-N 3.45Å; V188-K190 VanDerWaalsContact C-N 3.34Å; V188-K190 PolarHBondContact O-N 3.36Å
191	S	37.1	Very low	38.9	Very low	18 Å²	18	73.4 Å²	73.4	13%	0.126	38%	0.377	C	S	.	.	H	α-helix	trans	-56.5	-51.6	167.4	-131	0	0	0	0	110.1	L67 G68 C187 V188 C194 A195	L67-S191 PolarHBondContact O-OG 2.99Å; G68-S191 PolarHBondContact N-OG 2.83Å; C187-S191 PolarHBondContact O-N 3.03Å; V188-S191 VanDerWaalsContact O-CB 3.26Å; V188-S191 WeakPolarHBondContact O-CB 3.45Å; V188-S191 PolarHBondContact O-N 2.95Å; S191-C194 PolarHBondContact O-N 3.25Å; S191-A195 WeakPolarHBondContact O-CB 3.27Å; S191-A195 PolarHBondContact O-N 2.87Å
192	L	39.9	Very low	39	Very low	7 Å²	7	68.3 Å²	68.3	4%	0.037	36%	0.358	C	S	.	.	H	α-helix	trans	-67.4	-46	-169.2	-162.2	64.8	0	0	0	113.4	L139 I155 I156 V188 C194 A195 F196	L139-L192 HydrophobicContact CD1-CD2 3.77Å; L139-L192 HydrophobicContact CD1-CG 4.48Å; I155-L192 HydrophobicContact CG2-CD1 3.67Å; I156-L192 HydrophobicContact CG1-CD2 4.38Å; V188-L192 WeakPolarHBondContact O-CB 3.44Å; V188-L192 PolarHBondContact O-N 3.27Å; L192-C194 VanDerWaalsContact C-N 3.3Å; L192-C194 PolarHBondContact O-N 3.41Å; L192-A195 PolarHBondContact O-N 3.3Å; L192-F196 HydrophobicContact CD1-CD2 4.09Å; L192-F196 HydrophobicContact CD1-CE2 3.97Å; L192-F196 HydrophobicContact CG-CD2 4.06Å; L192-F196 HydrophobicContact CG-CE2 4.1Å; L192-F196 WeakPolarHBondContact O-CB 3.24Å; L192-F196 VanDerWaalsContact O-CD2 3.31Å; L192-F196 WeakPolarHBondContact O-CD2 3.49Å; L192-F196 PolarHBondContact O-N 3.45Å
193	I	41	Very low	39.6	Very low	62 Å²	62	62.7 Å²	62.7	32%	0.318	34%	0.341	S	S	.	.	H	α-helix	trans	-58.8	-42.2	177.5	-104	65.2	0	0	0	111.8	F122 L135 R189 F196 A197	F122-I193 HydrophobicContact CZ-CG2 4.17Å; L135-I193 HydrophobicContact CD1-CD1 3.48Å; L135-I193 VanDerWaalsContact CD1-CD1 3.48Å; R189-I193 PolarHBondContact O-N 2.84Å; I193-F196 WeakPolarHBondContact O-CB 3.18Å; I193-F196 PolarHBondContact O-N 2.82Å; I193-A197 PolarHBondContact O-N 3.22Å
194	C	38.4	Very low	40.2	Very low	46 Å²	46	58.8 Å²	58.8	31%	0.311	32%	0.321	S	S	.	.	H	α-helix	trans	-85.2	-29.6	-175	-153.8	0	0	0	0	111.8	L67 S191 L192 F196 A197 M198	L67-C194 HydrophobicContact CD1-CB 3.9Å; L67-C194 WeakPolarHBondContact CD1-SG 3.42Å; L67-C194 HydrophobicContact CD2-CB 3.54Å; L67-C194 VanDerWaalsContact CD2-SG 3.58Å; L67-C194 HydrophobicContact CG-CB 4.17Å; S191-C194 PolarHBondContact O-N 3.25Å; L192-C194 VanDerWaalsContact C-N 3.3Å; L192-C194 PolarHBondContact O-N 3.41Å; C194-F196 PolarHBondContact O-N 3.29Å; C194-A197 PolarHBondContact O-N 3.21Å; C194-M198 WeakPolarHBondContact O-CB 3.31Å; C194-M198 VanDerWaalsContact O-CG 3.26Å; C194-M198 WeakPolarHBondContact O-CG 3.32Å; C194-M198 PolarHBondContact O-N 2.69Å
195	A	40.8	Very low	40.5	Very low	33 Å²	33	56.8 Å²	56.8	27%	0.273	32%	0.317	S	S	.	.	H	α-helix	trans	-62.6	-32.3	164.3	0	0	0	0	0	111.3	S191 L192 A199	S191-A195 WeakPolarHBondContact O-CB 3.27Å; S191-A195 PolarHBondContact O-N 2.87Å; L192-A195 PolarHBondContact O-N 3.3Å; A195-A199 WeakPolarHBondContact O-CA 3.09Å; A195-A199 WeakPolarHBondContact O-CB 3.49Å; A195-A199 PolarHBondContact O-N 2.81Å
196	F	42.8	Very low	40.7	Very low	21 Å²	21	56.7 Å²	56.7	9%	0.092	32%	0.319	C	S	.	.	H	α-helix	trans	-71.5	-42.3	171.3	-99.1	-97.9	0	0	0	112.8	L139 F143 L147 L192 I193 C194 A199 F200	L139-F196 HydrophobicContact CD2-CD1 4.13Å; L139-F196 HydrophobicContact CD2-CD2 3.93Å; L139-F196 HydrophobicContact CD2-CE1 4.07Å; L139-F196 HydrophobicContact CD2-CE2 3.92Å; L139-F196 HydrophobicContact CD2-CG 4.02Å; L139-F196 HydrophobicContact CD2-CZ 3.96Å; F143-F196 HydrophobicContact CB-CE1 4.22Å; F143-F196 HydrophobicContact CD1-CD1 4.03Å; F143-F196 HydrophobicContact CD1-CE1 4.25Å; F143-F196 AromaticContact CD2-CD1 3.41Å; F143-F196 HydrophobicContact CD2-CD1 3.41Å; F143-F196 VanDerWaalsContact CD2-CD1 3.41Å; F143-F196 AromaticContact CD2-CE1 3.46Å; F143-F196 HydrophobicContact CD2-CE1 3.46Å; F143-F196 VanDerWaalsContact CD2-CE1 3.46Å; F143-F196 HydrophobicContact CD2-CG 4.48Å; F143-F196 AromaticContact CE1-CD1 3.9Å; F143-F196 HydrophobicContact CE1-CD1 3.9Å; F143-F196 HydrophobicContact CE2-CB 4.21Å; F143-F196 AromaticContact CE2-CD1 3.28Å; F143-F196 HydrophobicContact CE2-CD1 3.28Å; F143-F196 AromaticContact CE2-CE1 3.85Å; F143-F196 HydrophobicContact CE2-CE1 3.85Å; F143-F196 HydrophobicContact CE2-CG 4.04Å; F143-F196 AromaticContact CG-CD1 3.81Å; F143-F196 HydrophobicContact CG-CD1 3.81Å; F143-F196 AromaticContact CG-CE1 3.69Å; F143-F196 HydrophobicContact CG-CE1 3.69Å; F143-F196 HydrophobicContact CZ-CB 4.13Å; F143-F196 AromaticContact CZ-CD1 3.54Å; F143-F196 HydrophobicContact CZ-CD1 3.54Å; F143-F196 HydrophobicContact CZ-CE1 4.4Å; F143-F196 HydrophobicContact CZ-CG 4.29Å; L147-F196 HydrophobicContact CD1-CD1 4.44Å; L147-F196 HydrophobicContact CD1-CE1 3.26Å; L147-F196 HydrophobicContact CD1-CZ 3.5Å; L147-F196 VanDerWaalsContact CD1-CZ 3.5Å; L192-F196 HydrophobicContact CD1-CD2 4.09Å; L192-F196 HydrophobicContact CD1-CE2 3.97Å; L192-F196 HydrophobicContact CG-CD2 4.06Å; L192-F196 HydrophobicContact CG-CE2 4.1Å; L192-F196 WeakPolarHBondContact O-CB 3.24Å; L192-F196 VanDerWaalsContact O-CD2 3.31Å; L192-F196 WeakPolarHBondContact O-CD2 3.49Å; L192-F196 PolarHBondContact O-N 3.45Å; I193-F196 WeakPolarHBondContact O-CB 3.18Å; I193-F196 PolarHBondContact O-N 2.82Å; C194-F196 PolarHBondContact O-N 3.29Å; F196-A199 PolarHBondContact O-N 3.03Å; F196-F200 VanDerWaalsContact O-CB 3.29Å; F196-F200 WeakPolarHBondContact O-CB 3.23Å; F196-F200 PolarHBondContact O-N 2.91Å
197	A	44.2	Very low	41.4	Very low	49 Å²	49	58.9 Å²	58.9	41%	0.405	33%	0.328	S	S	.	.	H	α-helix	trans	-60.4	-45	172.3	0	0	0	0	0	111.5	I193 C194 F200 I201	I193-A197 PolarHBondContact O-N 3.22Å; C194-A197 PolarHBondContact O-N 3.21Å; A197-F200 WeakPolarHBondContact O-CB 3.26Å; A197-F200 PolarHBondContact O-N 2.93Å; A197-I201 VanDerWaalsContact O-CG1 3.31Å; A197-I201 WeakPolarHBondContact O-CG1 3.37Å; A197-I201 PolarHBondContact O-N 3.43Å
198	M	43.4	Very low	41.6	Very low	47 Å²	47	56.4 Å²	56.4	23%	0.232	31%	0.314	C	S	.	.	H	α-helix	trans	-69.3	-36.8	175.6	-69.2	-71.2	-88	0	0	112.5	M64 L67 C194 F200 I201 I202	M64-M198 HydrophobicContact CE-CE 4.04Å; M64-M198 HydrophobicContact CG-CE 3.8Å; L67-M198 HydrophobicContact CD1-CG 3.73Å; C194-M198 WeakPolarHBondContact O-CB 3.31Å; C194-M198 VanDerWaalsContact O-CG 3.26Å; C194-M198 WeakPolarHBondContact O-CG 3.32Å; C194-M198 PolarHBondContact O-N 2.69Å; M198-F200 VanDerWaalsContact C-N 3.33Å; M198-I201 PolarHBondContact O-N 2.97Å; M198-I201 HydrophobicContact SD-CD1 4.28Å; M198-I202 VanDerWaalsContact O-CB 3.29Å; M198-I202 WeakPolarHBondContact O-CB 3.45Å; M198-I202 WeakPolarHBondContact O-CD1 3.49Å; M198-I202 WeakPolarHBondContact O-CG1 3.4Å; M198-I202 PolarHBondContact O-N 3.33Å
199	A	41.9	Very low	41.6	Very low	44 Å²	44	57.1 Å²	57.1	36%	0.364	32%	0.323	S	S	.	.	H	α-helix	trans	-70.1	-30.4	175	0	0	0	0	0	112	A195 F196 S203	A195-A199 WeakPolarHBondContact O-CA 3.09Å; A195-A199 WeakPolarHBondContact O-CB 3.49Å; A195-A199 PolarHBondContact O-N 2.81Å; F196-A199 PolarHBondContact O-N 3.03Å; A199-S203 WeakPolarHBondContact O-CB 3.25Å; A199-S203 PolarHBondContact O-N 2.9Å; A199-S203 PolarHBondContact O-OG 3.09Å
200	F	42.9	Very low	42	Very low	105 Å²	105	59.8 Å²	59.8	46%	0.461	34%	0.341	S	S	.	.	H	α-helix	trans	-66.6	-48.8	169.6	-173.7	-101	0	0	0	110.2	F143 F196 A197 M198 I202 S203 V204	F143-F200 HydrophobicContact CE1-CD2 4.4Å; F196-F200 VanDerWaalsContact O-CB 3.29Å; F196-F200 WeakPolarHBondContact O-CB 3.23Å; F196-F200 PolarHBondContact O-N 2.91Å; A197-F200 WeakPolarHBondContact O-CB 3.26Å; A197-F200 PolarHBondContact O-N 2.93Å; M198-F200 VanDerWaalsContact C-N 3.33Å; F200-I202 PolarHBondContact O-N 2.59Å; F200-S203 PolarHBondContact O-N 2.93Å; F200-V204 HydrophobicContact CD1-CG2 4.39Å; F200-V204 HydrophobicContact CE1-CG2 4.21Å; F200-V204 HydrophobicContact CZ-CG2 4.3Å; F200-V204 VanDerWaalsContact O-CB 3.26Å; F200-V204 WeakPolarHBondContact O-CB 3.48Å; F200-V204 VanDerWaalsContact O-CG2 3.23Å; F200-V204 WeakPolarHBondContact O-CG2 3.45Å; F200-V204 PolarHBondContact O-N 3.36Å
201	I	46.5	Very low	42.1	Very low	73 Å²	73	58.2 Å²	58.2	37%	0.374	34%	0.335	S	S	.	.	H	α-helix	trans	-56.4	-49.2	173.2	-68.6	163.7	0	0	0	111	A197 M198 V204 M205	A197-I201 VanDerWaalsContact O-CG1 3.31Å; A197-I201 WeakPolarHBondContact O-CG1 3.37Å; A197-I201 PolarHBondContact O-N 3.43Å; M198-I201 PolarHBondContact O-N 2.97Å; M198-I201 HydrophobicContact SD-CD1 4.28Å; I201-V204 CarbonylContact O-C 3.48Å; I201-V204 PolarHBondContact O-N 3.06Å; I201-M205 HydrophobicContact CG2-CG 4.35Å; I201-M205 WeakPolarHBondContact O-CB 3.24Å; I201-M205 WeakPolarHBondContact O-CG 3.48Å; I201-M205 PolarHBondContact O-N 2.88Å
202	I	43.2	Very low	42.5	Very low	64 Å²	64	63.5 Å²	63.5	33%	0.328	36%	0.36	S	S	.	.	H	α-helix	trans	-64.5	-41	179.4	-71	163.4	0	0	0	111.5	M198 F200 M205 L206	M198-I202 VanDerWaalsContact O-CB 3.29Å; M198-I202 WeakPolarHBondContact O-CB 3.45Å; M198-I202 WeakPolarHBondContact O-CD1 3.49Å; M198-I202 WeakPolarHBondContact O-CG1 3.4Å; M198-I202 PolarHBondContact O-N 3.33Å; F200-I202 PolarHBondContact O-N 2.59Å; I202-M205 PolarHBondContact O-N 3.29Å; I202-L206 HydrophobicContact CG2-CD1 3.74Å; I202-L206 HydrophobicContact CG2-CG 4.32Å; I202-L206 WeakPolarHBondContact O-CB 3.35Å; I202-L206 WeakPolarHBondContact O-CG 3.17Å; I202-L206 PolarHBondContact O-N 2.93Å
203	S	46.1	Very low	42.6	Very low	58 Å²	58	69 Å²	69	41%	0.406	39%	0.388	S	S	.	.	H	α-helix	trans	-64.4	-42.9	175.2	-62.5	0	0	0	0	111.1	A199 F200 M205 L206 I207	A199-S203 WeakPolarHBondContact O-CB 3.25Å; A199-S203 PolarHBondContact O-N 2.9Å; A199-S203 PolarHBondContact O-OG 3.09Å; F200-S203 PolarHBondContact O-N 2.93Å; S203-M205 VanDerWaalsContact C-N 3.28Å; S203-M205 PolarHBondContact O-N 2.88Å; S203-L206 PolarHBondContact O-N 3.29Å; S203-I207 WeakPolarHBondContact O-CB 3.42Å; S203-I207 WeakPolarHBondContact O-CD1 3.38Å; S203-I207 WeakPolarHBondContact O-CG1 3.19Å; S203-I207 PolarHBondContact O-N 3.28Å
204	V	45.4	Very low	42.7	Very low	42 Å²	42	74.6 Å²	74.6	26%	0.255	41%	0.406	S	S	.	.	H	α-helix	trans	-67.3	-26.9	175.9	166.9	0	0	0	0	112.3	K103 F200 I201	K103-V204 HydrophobicContact CD-CG1 3.7Å; F200-V204 HydrophobicContact CD1-CG2 4.39Å; F200-V204 HydrophobicContact CE1-CG2 4.21Å; F200-V204 HydrophobicContact CZ-CG2 4.3Å; F200-V204 VanDerWaalsContact O-CB 3.26Å; F200-V204 WeakPolarHBondContact O-CB 3.48Å; F200-V204 VanDerWaalsContact O-CG2 3.23Å; F200-V204 WeakPolarHBondContact O-CG2 3.45Å; F200-V204 PolarHBondContact O-N 3.36Å; I201-V204 CarbonylContact O-C 3.48Å; I201-V204 PolarHBondContact O-N 3.06Å
205	M	42.7	Very low	43.2	Very low	63 Å²	63	77.3 Å²	77.3	31%	0.31	42%	0.417	S	S	.	.	H	α-helix	trans	-77.4	-43.3	170.1	-64.1	-121.4	78.5	0	0	112.3	R82 I201 I202 S203 A208 A209	R82-M205 HydrophobicContact CG-CE 3.88Å; R82-M205 HydrophobicContact CG-SD 4.3Å; I201-M205 HydrophobicContact CG2-CG 4.35Å; I201-M205 WeakPolarHBondContact O-CB 3.24Å; I201-M205 WeakPolarHBondContact O-CG 3.48Å; I201-M205 PolarHBondContact O-N 2.88Å; I202-M205 PolarHBondContact O-N 3.29Å; S203-M205 VanDerWaalsContact C-N 3.28Å; S203-M205 PolarHBondContact O-N 2.88Å; M205-A208 PolarHBondContact O-N 3.06Å; M205-A209 WeakPolarHBondContact O-CB 3.43Å; M205-A209 PolarHBondContact O-N 3.3Å
206	L	39.1	Very low	43.3	Very low	98 Å²	98	78.8 Å²	78.8	51%	0.513	44%	0.436	S	S	.	.	H	α-helix	trans	-68.7	-36.7	-179.8	-79.2	168.4	0	0	0	112.8	I202 S203 A208 A209 N210	I202-L206 HydrophobicContact CG2-CD1 3.74Å; I202-L206 HydrophobicContact CG2-CG 4.32Å; I202-L206 WeakPolarHBondContact O-CB 3.35Å; I202-L206 WeakPolarHBondContact O-CG 3.17Å; I202-L206 PolarHBondContact O-N 2.93Å; S203-L206 PolarHBondContact O-N 3.29Å; L206-A208 VanDerWaalsContact C-N 3.33Å; L206-A209 PolarHBondContact O-N 3.04Å; L206-N210 WeakPolarHBondContact O-CB 3.45Å; L206-N210 PolarHBondContact O-N 2.8Å; L206-N210 PolarHBondContact O-ND2 3.3Å
207	I	45.8	Very low	43.6	Very low	100 Å²	100	85.9 Å²	85.9	51%	0.513	47%	0.471	S	S	.	.	H	α-helix	trans	-63	-42	172.9	-69.7	164.2	0	0	0	110	S203 Q211	S203-I207 WeakPolarHBondContact O-CB 3.42Å; S203-I207 WeakPolarHBondContact O-CD1 3.38Å; S203-I207 WeakPolarHBondContact O-CG1 3.19Å; S203-I207 PolarHBondContact O-N 3.28Å; I207-Q211 WeakPolarHBondContact O-CG 3.5Å; I207-Q211 PolarHBondContact O-N 3.19Å
208	A	38.5	Very low	43.4	Very low	34 Å²	34	95.1 Å²	95.1	28%	0.281	51%	0.506	S	S	.	.	H	α-helix	trans	-66.9	-40	174.9	0	0	0	0	0	112.6	M205 L206 Q211 M212	M205-A208 PolarHBondContact O-N 3.06Å; L206-A208 VanDerWaalsContact C-N 3.33Å; A208-Q211 PolarHBondContact O-N 3.26Å; A208-M212 WeakPolarHBondContact O-CG 3.38Å; A208-M212 PolarHBondContact O-N 3.21Å
209	A	37.9	Very low	43.4	Very low	47 Å²	47	97.5 Å²	97.5	39%	0.388	52%	0.52	S	S	.	.	H	α-helix	trans	-64.3	-41.7	176.7	0	0	0	0	0	112.6	M205 L206 Q211 M212 L213	M205-A209 WeakPolarHBondContact O-CB 3.43Å; M205-A209 PolarHBondContact O-N 3.3Å; L206-A209 PolarHBondContact O-N 3.04Å; A209-Q211 VanDerWaalsContact C-N 3.31Å; A209-Q211 PolarHBondContact O-N 3.2Å; A209-M212 PolarHBondContact O-N 3.37Å; A209-L213 PolarHBondContact O-N 3.41Å
210	N	44.4	Very low	43.5	Very low	107 Å²	107	100.3 Å²	100.3	57%	0.572	53%	0.528	S	S	*	.	H	α-helix	trans	-66.6	-30.3	175.7	-81.4	-40.6	0	0	0	112.9	L206 R214	L206-N210 WeakPolarHBondContact O-CB 3.45Å; L206-N210 PolarHBondContact O-N 2.8Å; L206-N210 PolarHBondContact O-ND2 3.3Å; N210-R214 WeakPolarHBondContact O-CB 3.33Å; N210-R214 PolarHBondContact O-N 3.43Å
211	Q	43.2	Very low	43.5	Very low	104 Å²	104	100.1 Å²	100.1	49%	0.486	53%	0.532	S	S	.	.	H	α-helix	trans	-71.4	-38.8	172.7	-70.7	172.8	8.4	0	0	112.1	I207 A208 A209 R214 N215	I207-Q211 WeakPolarHBondContact O-CG 3.5Å; I207-Q211 PolarHBondContact O-N 3.19Å; A208-Q211 PolarHBondContact O-N 3.26Å; A209-Q211 VanDerWaalsContact C-N 3.31Å; A209-Q211 PolarHBondContact O-N 3.2Å; Q211-R214 PolarHBondContact O-N 3.1Å; Q211-N215 VanDerWaalsContact O-CG 3.25Å; Q211-N215 PolarHBondContact O-N 3.32Å; Q211-N215 VanDerWaalsContact O-N 3.07Å; Q211-N215 PolarHBondContact O-OD1 3.07Å
212	M	44.2	Very low	43.3	Very low	130 Å²	130	101.6 Å²	101.6	64%	0.64	54%	0.541	S	S	*	.	H	α-helix	trans	-61.8	-44.3	173.6	-70.8	-88.2	99.4	0	0	112.2	A208 A209 R214 N215 G216	A208-M212 WeakPolarHBondContact O-CG 3.38Å; A208-M212 PolarHBondContact O-N 3.21Å; A209-M212 PolarHBondContact O-N 3.37Å; M212-R214 VanDerWaalsContact C-N 3.34Å; M212-R214 PolarHBondContact O-N 3.46Å; M212-N215 PolarHBondContact O-N 3.46Å; M212-G216 PolarHBondContact O-N 3.38Å
213	L	43.1	Very low	43.3	Very low	121 Å²	121	104 Å²	104	63%	0.634	55%	0.554	S	S	*	*	H	α-helix	trans	-64.1	-37.2	177.4	-75.2	170.6	0	0	0	112.7	A209 G216	A209-L213 PolarHBondContact O-N 3.41Å; L213-G216 PolarHBondContact O-N 3.48Å
214	R	42.6	Very low	43.1	Very low	180 Å²	180	107.1 Å²	107.1	68%	0.679	56%	0.564	S	S	*	*	H	α-helix	trans	-72.2	-34.1	179.2	-159.5	177.5	69	-166	1	112.7	N210 Q211 M212 G216	N210-R214 WeakPolarHBondContact O-CB 3.33Å; N210-R214 PolarHBondContact O-N 3.43Å; Q211-R214 PolarHBondContact O-N 3.1Å; M212-R214 VanDerWaalsContact C-N 3.34Å; M212-R214 PolarHBondContact O-N 3.46Å; R214-G216 VanDerWaalsContact C-N 3.26Å; R214-G216 PolarHBondContact O-N 3.18Å
215	N	48.4	Very low	43	Very low	103 Å²	103	111.7 Å²	111.7	55%	0.551	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-6	175.9	-64.5	4.3	0	0	0	113.3	Q211 M212	Q211-N215 VanDerWaalsContact O-CG 3.25Å; Q211-N215 PolarHBondContact O-N 3.32Å; Q211-N215 VanDerWaalsContact O-N 3.07Å; Q211-N215 PolarHBondContact O-OD1 3.07Å; M212-N215 PolarHBondContact O-N 3.46Å
216	G	43.1	Very low	43	Very low	65 Å²	65	115.5 Å²	115.5	67%	0.67	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	10.5	174.8	0	0	0	0	0	114.4	M212 L213 R214	M212-G216 PolarHBondContact O-N 3.38Å; L213-G216 PolarHBondContact O-N 3.48Å; R214-G216 VanDerWaalsContact C-N 3.26Å; R214-G216 PolarHBondContact O-N 3.18Å
217	M	48.2	Very low	43.3	Very low	170 Å²	170	116.9 Å²	116.9	84%	0.837	62%	0.615	S	S	*	*			trans	-126	14.7	-176.9	-68.2	-171.9	64.3	0	0	114
218	E	40.7	Very low	43.1	Very low	242 Å²	242	118.5 Å²	118.5	100%	1.131	63%	0.625	S	S	*	*			trans	-115.1	0	169.5	-70.4	-173.5	97.7	0	0	111

Retrieved 218 of 218 residues in 34.8 ms (Link to these results)

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