A0A5K4F1B0_SCHMA Loading...

UPF0764 protein C16orf89 homolog

AlphaFold DB , UniProt , Accession A0A5K4F1B0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 368 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.7	Very low	27.6	Very low	235 Å²	235	164.8 Å²	164.8	100%	1.158	84%	0.837	S	S	*	*				0	85.4	0	-79.1	168.1	55.3	0	0	109.6
2	F	28.6	Very low	27.8	Very low	204 Å²	204	162.8 Å²	162.8	90%	0.895	83%	0.827	S	S	*	*			trans	-157.2	136.5	160	-105.8	-82.4	0	0	0	106.9	A4	F2-A4 PolarHBondContact O-N 3.01Å
3	L	25.4	Very low	27.7	Very low	136 Å²	136	159.5 Å²	159.5	71%	0.712	82%	0.82	S	S	*	*			trans	-36.7	114.4	-167.4	-75.9	72.9	0	0	0	115.4	R5	L3-R5 PolarHBondContact O-N 2.87Å; L3-R5 VanDerWaalsContact O-N 3.15Å
4	A	27.6	Very low	27.5	Very low	111 Å²	111	158.2 Å²	158.2	92%	0.917	81%	0.813	S	S	*	*			trans	-79	93.4	159.9	0	0	0	0	0	108.3	F2	F2-A4 PolarHBondContact O-N 3.01Å
5	R	23.9	Very low	27.3	Very low	198 Å²	198	156.4 Å²	156.4	75%	0.747	80%	0.803	S	S	*	*			trans	-78.7	136.1	170.5	-96.4	-177.8	179.1	-148.2	0.7	109.3	L3	L3-R5 PolarHBondContact O-N 2.87Å; L3-R5 VanDerWaalsContact O-N 3.15Å
6	I	24.9	Very low	27.2	Very low	132 Å²	132	155.8 Å²	155.8	68%	0.677	80%	0.8	S	S	*	*			trans	90.9	126.9	138.9	-65.8	166.2	0	0	0	117.9
7	L	24.2	Very low	27	Very low	155 Å²	155	156.8 Å²	156.8	81%	0.812	79%	0.793	S	S	*	*			trans	76.2	96.3	155.8	-73	157.4	0	0	0	119
8	L	30.6	Very low	27.2	Very low	171 Å²	171	154.1 Å²	154.1	90%	0.895	79%	0.791	S	S	*	*			trans	-145	98.2	140	-100.1	146.1	0	0	0	108.5
9	T	30.7	Very low	27.6	Very low	111 Å²	111	155.2 Å²	155.2	68%	0.681	79%	0.792	S	S	*	*			trans	-1.1	122.2	156.7	41.3	0	0	0	0	117.1	K11	T9-K11 PolarHBondContact O-N 3.42Å
10	L	29.4	Very low	28.3	Very low	166 Å²	166	150.8 Å²	150.8	87%	0.869	78%	0.776	S	S	*	*			trans	-44	92.9	169.3	-72.3	134.4	0	0	0	112.5	I12	L10-I12 PolarHBondContact O-N 2.7Å
11	K	30.6	Very low	29.3	Very low	194 Å²	194	145.8 Å²	145.8	84%	0.843	75%	0.752	S	S	*	*			trans	-83.5	94.8	155	-78	-171.7	176.3	-176.9	0	106.7	T9 V13	T9-K11 PolarHBondContact O-N 3.42Å; K11-V13 PolarHBondContact O-N 2.75Å; K11-V13 VanDerWaalsContact O-N 3.1Å
12	I	30.1	Very low	30.3	Very low	141 Å²	141	134.9 Å²	134.9	72%	0.723	70%	0.699	S	S	*	*			trans	-58.2	114.8	169.5	-66.9	170.4	0	0	0	106.9	L10 I14	L10-I12 PolarHBondContact O-N 2.7Å; I12-I14 PolarHBondContact O-N 3.08Å
13	V	26.7	Very low	31.1	Very low	120 Å²	120	130 Å²	130	73%	0.727	68%	0.682	S	S	*	*			trans	-71.3	109.9	172.2	175.9	0	0	0	0	106.6	K11 I15	K11-V13 PolarHBondContact O-N 2.75Å; K11-V13 VanDerWaalsContact O-N 3.1Å; V13-I15 HydrophobicContact CG1-CG1 4.22Å; V13-I15 PolarHBondContact O-N 3Å
14	I	24.4	Very low	32.2	Very low	141 Å²	141	124.7 Å²	124.7	72%	0.723	66%	0.656	S	S	*	*			trans	-74.4	104.5	170.1	-60.7	174.9	0	0	0	106.3	I12 I16	I12-I14 PolarHBondContact O-N 3.08Å; I14-I16 HydrophobicContact CG2-CG1 4.04Å; I14-I16 PolarHBondContact O-N 3.14Å
15	I	24.6	Very low	33	Very low	131 Å²	131	123.5 Å²	123.5	67%	0.672	63%	0.634	S	S	*	*			trans	-78.8	104.8	168.2	-60	175.9	0	0	0	106	V13 Y17	V13-I15 HydrophobicContact CG1-CG1 4.22Å; V13-I15 PolarHBondContact O-N 3Å; I15-Y17 PolarHBondContact O-N 3.28Å
16	I	25	Very low	34	Very low	146 Å²	146	121.9 Å²	121.9	75%	0.749	64%	0.635	S	S	*	*			trans	-77.2	111.2	170.9	-57.7	175.4	0	0	0	105.9	I14 S18	I14-I16 HydrophobicContact CG2-CG1 4.04Å; I14-I16 PolarHBondContact O-N 3.14Å; I16-S18 PolarHBondContact O-N 3.34Å; I16-S18 VanDerWaalsContact O-N 3.12Å
17	Y	24.7	Very low	34.9	Very low	174 Å²	174	123.3 Å²	123.3	68%	0.682	64%	0.637	S	S	*	*			trans	-60.2	114	168.5	-78.4	-86.1	0	0	0	108.1	I15 E19	I15-Y17 PolarHBondContact O-N 3.28Å; Y17-E19 PolarHBondContact O-N 2.87Å
18	S	31.1	Very low	36	Very low	107 Å²	107	116.8 Å²	116.8	75%	0.748	60%	0.603	S	S	*	*			trans	-65.2	123.4	167.4	57.5	0	0	0	0	107.7	I16 S20	I16-S18 PolarHBondContact O-N 3.34Å; I16-S18 VanDerWaalsContact O-N 3.12Å; S18-S20 PolarHBondContact O-N 3.07Å
19	E	34	Very low	36.6	Very low	175 Å²	175	113 Å²	113	82%	0.818	58%	0.581	S	S	*	*			trans	-45.5	112.3	167.8	-67.9	173	168	0	0	108.1	Y17 V21	Y17-E19 PolarHBondContact O-N 2.87Å; E19-V21 HydrophobicContact CB-CG2 4.31Å; E19-V21 PolarHBondContact O-N 2.91Å; E19-V21 VanDerWaalsContact O-N 3.16Å
20	S	42.5	Very low	37.2	Very low	68 Å²	68	113.5 Å²	113.5	48%	0.476	58%	0.578	S	S	.	*			trans	-66.7	112.8	173.6	39.7	0	0	0	0	105.8	S18 F269	S18-S20 PolarHBondContact O-N 3.07Å; S20-F269 WeakPolarHBondContact O-CZ 3.31Å
21	V	49	Very low	37.8	Very low	45 Å²	45	111 Å²	111	27%	0.273	57%	0.565	S	S	.	*			trans	-115.3	144.5	178.3	-176.4	0	0	0	0	109.6	E19 N23 H164	E19-V21 HydrophobicContact CB-CG2 4.31Å; E19-V21 PolarHBondContact O-N 2.91Å; E19-V21 VanDerWaalsContact O-N 3.16Å; V21-N23 PolarHBondContact O-N 3.17Å; V21-H164 VanDerWaalsContact CG1-CE1 3.47Å; V21-H164 WeakPolarHBondContact CG1-CE1 3.35Å; V21-H164 WeakPolarHBondContact CG1-ND1 3.37Å
22	I	47.4	Very low	38.4	Very low	6 Å²	6	102.2 Å²	102.2	3%	0.031	53%	0.528	C	S	.	.			trans	-70.7	119.3	175.2	-65.1	175.5	0	0	0	109.6	E207 E256 I259 I260 F269	I22-E207 HydrophobicContact CD1-CG 4.05Å; I22-E207 PolarHBondContact N-OE1 3.35Å; I22-E256 HydrophobicContact CD1-CB 4.04Å; I22-E256 HydrophobicContact CD1-CG 4.46Å; I22-E256 HydrophobicContact CG2-CB 4.37Å; I22-E256 HydrophobicContact CG2-CG 4.23Å; I22-I259 HydrophobicContact CG2-CB 3.66Å; I22-I259 HydrophobicContact CG2-CD1 3.23Å; I22-I259 HydrophobicContact CG2-CG1 4.04Å; I22-I259 HydrophobicContact CG2-CG2 3.71Å; I22-I260 HydrophobicContact CD1-CD1 3.73Å; I22-I260 HydrophobicContact CD1-CG1 3.52Å; I22-I260 HydrophobicContact CG1-CG1 4.32Å; I22-F269 HydrophobicContact CD1-CD1 4.07Å; I22-F269 HydrophobicContact CD1-CE1 3.8Å; I22-F269 HydrophobicContact CG1-CD1 4.41Å; I22-F269 HydrophobicContact CG1-CE1 3.79Å; I22-F269 HydrophobicContact CG1-CZ 4.18Å
23	N	47.3	Very low	39.1	Very low	101 Å²	101	102.2 Å²	102.2	54%	0.54	53%	0.525	S	S	.	.			trans	-118	123	175	-169.5	-2.4	0	0	0	108.9	V21	V21-N23 PolarHBondContact O-N 3.17Å
24	C	46.7	Very low	39.7	Very low	26 Å²	26	102.8 Å²	102.8	18%	0.176	52%	0.523	C	S	.	.			trans	-83.3	114.2	170.4	-111.4	0	0	0	0	107.9	F162 I259	C24-F162 HydrophobicContact CB-CD2 3.65Å; C24-F162 HydrophobicContact CB-CE2 3.53Å; C24-F162 WeakPolarHBondContact SG-CE2 3.46Å; C24-I259 HydrophobicContact CB-CD1 4.05Å; C24-I259 WeakPolarHBondContact SG-CD1 3.45Å
25	D	45	Very low	40.6	Very low	85 Å²	85	99.9 Å²	99.9	46%	0.455	51%	0.509	S	S	.	.			trans	-87.9	167.1	164.6	70	0.9	0	0	0	111	K27 T28 E29	D25-K27 PolarHBondContact O-N 2.99Å; D25-K27 VanDerWaalsContact O-N 3.13Å; D25-K27 WeakPolarHBondContact OD1-CB 3.35Å; D25-K27 PolarHBondContact OD1-N 2.66Å; D25-T28 VanDerWaalsContact O-CB 3.3Å; D25-T28 WeakPolarHBondContact O-CB 3.46Å; D25-T28 PolarHBondContact O-N 3Å; D25-T28 WeakPolarHBondContact OD1-CB 2.86Å; D25-T28 PolarHBondContact OD1-N 2.67Å; D25-T28 PolarHBondContact OD1-OG1 2.54Å; D25-E29 PolarHBondContact O-N 3.33Å
26	E	45.5	Very low	41.5	Very low	164 Å²	164	95.9 Å²	95.9	77%	0.766	49%	0.489	S	S	*	.	H	α-helix	trans	-57.5	-26.8	177.4	-71.5	-179.2	163.6	0	0	112.8	T28 E29 L30	E26-T28 VanDerWaalsContact C-N 3.33Å; E26-E29 PolarHBondContact O-N 3.42Å; E26-L30 PolarHBondContact O-N 3.43Å; E26-L30 VanDerWaalsContact O-N 3.12Å
27	K	43.9	Very low	42.4	Very low	163 Å²	163	94.8 Å²	94.8	71%	0.709	48%	0.484	S	S	*	.	H	α-helix	trans	-67.9	-36	176.3	-118.3	-178.1	-179	-178.5	0	111.7	D25 L30 L31	D25-K27 PolarHBondContact O-N 2.99Å; D25-K27 VanDerWaalsContact O-N 3.13Å; D25-K27 WeakPolarHBondContact OD1-CB 3.35Å; D25-K27 PolarHBondContact OD1-N 2.66Å; K27-L30 PolarHBondContact O-N 3.23Å; K27-L31 PolarHBondContact O-N 3.24Å
28	T	47.4	Very low	43.4	Very low	18 Å²	18	95.3 Å²	95.3	11%	0.11	49%	0.491	C	S	.	.	H	α-helix	trans	-65.8	-43.4	173.7	-49.6	0	0	0	0	110.1	D25 E26 L30 L31 L32 I259	D25-T28 VanDerWaalsContact O-CB 3.3Å; D25-T28 WeakPolarHBondContact O-CB 3.46Å; D25-T28 PolarHBondContact O-N 3Å; D25-T28 WeakPolarHBondContact OD1-CB 2.86Å; D25-T28 PolarHBondContact OD1-N 2.67Å; D25-T28 PolarHBondContact OD1-OG1 2.54Å; E26-T28 VanDerWaalsContact C-N 3.33Å; T28-L30 VanDerWaalsContact C-N 3.29Å; T28-L30 PolarHBondContact O-N 2.84Å; T28-L31 PolarHBondContact O-N 2.97Å; T28-L31 VanDerWaalsContact O-N 3.17Å; T28-L32 WeakPolarHBondContact O-CG 3.38Å; T28-L32 PolarHBondContact O-N 3.22Å; T28-L32 VanDerWaalsContact O-N 3.16Å; T28-I259 HydrophobicContact CG2-CD1 4.38Å; T28-I259 HydrophobicContact CG2-CG1 3.83Å
29	E	43.2	Very low	44	Very low	92 Å²	92	95.9 Å²	95.9	43%	0.43	49%	0.485	S	S	.	.	H	α-helix	trans	-57.8	-40.3	174.6	-74.1	-177.3	169.3	0	0	112.5	D25 E26 L31 L32 Q33	D25-E29 PolarHBondContact O-N 3.33Å; E26-E29 PolarHBondContact O-N 3.42Å; E29-L31 VanDerWaalsContact C-N 3.34Å; E29-L31 PolarHBondContact O-N 3.12Å; E29-L32 PolarHBondContact O-N 3.23Å; E29-Q33 PolarHBondContact O-N 3.47Å
30	L	42.2	Very low	44.9	Very low	120 Å²	120	88.6 Å²	88.6	63%	0.628	45%	0.453	S	S	*	.	H	α-helix	trans	-67.7	-33.2	179.1	-137.4	107.1	0	0	0	113	E26 K27 T28 L32	E26-L30 PolarHBondContact O-N 3.43Å; E26-L30 VanDerWaalsContact O-N 3.12Å; K27-L30 PolarHBondContact O-N 3.23Å; T28-L30 VanDerWaalsContact C-N 3.29Å; T28-L30 PolarHBondContact O-N 2.84Å; L30-L32 VanDerWaalsContact C-N 3.34Å
31	L	42.3	Very low	45.4	Very low	113 Å²	113	89.5 Å²	89.5	59%	0.592	46%	0.457	S	S	*	.	H	α-helix	trans	-68.3	-34.6	173.9	-75.4	164.5	0	0	0	111.6	K27 T28 E29 Q33	K27-L31 PolarHBondContact O-N 3.24Å; T28-L31 PolarHBondContact O-N 2.97Å; T28-L31 VanDerWaalsContact O-N 3.17Å; E29-L31 VanDerWaalsContact C-N 3.34Å; E29-L31 PolarHBondContact O-N 3.12Å; L31-Q33 VanDerWaalsContact C-N 3.33Å; L31-Q33 PolarHBondContact O-N 3.2Å
32	L	42.9	Very low	46.5	Very low	10 Å²	10	93.7 Å²	93.7	5%	0.052	48%	0.477	C	S	.	.	H	α-helix	trans	-69.2	-28.3	-178.8	-65.6	173.7	0	0	0	113.2	T28 E29 L30 L36 Y156 A255 Q258	T28-L32 WeakPolarHBondContact O-CG 3.38Å; T28-L32 PolarHBondContact O-N 3.22Å; T28-L32 VanDerWaalsContact O-N 3.16Å; E29-L32 PolarHBondContact O-N 3.23Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L32-L36 WeakPolarHBondContact O-CD1 3.42Å; L32-Y156 HydrophobicContact CB-CD1 4.06Å; L32-Y156 HydrophobicContact CB-CD2 4.3Å; L32-Y156 HydrophobicContact CB-CE1 4.45Å; L32-Y156 HydrophobicContact CB-CG 3.99Å; L32-Y156 HydrophobicContact CD1-CD1 3.9Å; L32-Y156 HydrophobicContact CD1-CE1 4.26Å; L32-Y156 HydrophobicContact CD2-CD1 3.96Å; L32-Y156 HydrophobicContact CD2-CE1 3.56Å; L32-Y156 HydrophobicContact CD2-CE2 4.49Å; L32-Y156 HydrophobicContact CG-CD1 4.17Å; L32-Y156 HydrophobicContact CG-CE1 4.28Å; L32-A255 HydrophobicContact CD1-CB 4.11Å; L32-Q258 HydrophobicContact CD2-CB 4.35Å; L32-Q258 HydrophobicContact CD2-CG 4.12Å
33	Q	44.4	Very low	48.3	Very low	142 Å²	142	94.9 Å²	94.9	66%	0.664	48%	0.483	S	S	*	.	H	α-helix	trans	-74	-26.8	-178.2	-76.6	-174.1	-13.8	0	0	114.1	E29 L31	E29-Q33 PolarHBondContact O-N 3.47Å; L31-Q33 VanDerWaalsContact C-N 3.33Å; L31-Q33 PolarHBondContact O-N 3.2Å
34	N	40.9	Very low	50.3	Low	131 Å²	131	94 Å²	94	70%	0.701	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-12.2	-170.4	-80.1	-24.3	0	0	0	115.2
35	D	43.5	Very low	52.3	Low	80 Å²	80	97.3 Å²	97.3	43%	0.428	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	7	-173.7	-84.7	-12.9	0	0	0	114.6	L37 K290	D35-L37 PolarHBondContact O-N 2.82Å; D35-K290 IonicContact OD2-NZ 3.26Å
36	L	43.1	Very low	54.6	Low	48 Å²	48	99.8 Å²	99.8	25%	0.251	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-10.4	-141.9	-109.2	165.8	0	0	0	119.4	L32 Y156 Q287	L32-L36 WeakPolarHBondContact O-CD1 3.42Å; L36-Y156 HydrophobicContact CD1-CD2 3.84Å; L36-Y156 HydrophobicContact CD2-CD2 3.52Å; L36-Y156 HydrophobicContact CD2-CE2 3.95Å; L36-Y156 HydrophobicContact CG-CD2 3.66Å; L36-Y156 HydrophobicContact CG-CE2 4.16Å; L36-Q287 PolarHBondContact O-NE2 3.07Å
37	L	44.3	Very low	56.8	Low	123 Å²	123	96.2 Å²	96.2	64%	0.644	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.4	-28.3	-168.7	-94.7	140	0	0	0	117.8	D35	D35-L37 PolarHBondContact O-N 2.82Å
38	F	44	Very low	59.2	Low	185 Å²	185	89 Å²	89	81%	0.811	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.6	13.6	-177.3	-73.3	-77.3	0	0	0	115	V40	F38-V40 PolarHBondContact O-N 2.91Å
39	N	44.5	Very low	61.4	Low	118 Å²	118	93.6 Å²	93.6	63%	0.631	48%	0.483	S	S	*	.			trans	-94.8	17.1	-167.2	-103.7	11	0	0	0	115.9	P41	N39-P41 VanDerWaalsContact O-CD 3.26Å; N39-P41 WeakPolarHBondContact O-CD 3.39Å
40	V	52.3	Low	63.9	Low	23 Å²	23	93.6 Å²	93.6	14%	0.139	49%	0.485	C	S	.	.	S	Bend	trans	-83.2	113.1	159.3	-164	0	0	0	0	105.6	F38 L42 W286 Y363	F38-V40 PolarHBondContact O-N 2.91Å; V40-L42 PolarHBondContact O-N 3.3Å; V40-W286 HydrophobicContact CB-CE3 3.96Å; V40-W286 HydrophobicContact CB-CZ3 3.45Å; V40-W286 VanDerWaalsContact CB-CZ3 3.45Å; V40-W286 HydrophobicContact CG2-CE3 3.46Å; V40-W286 VanDerWaalsContact CG2-CE3 3.46Å; V40-W286 HydrophobicContact CG2-CH2 4.07Å; V40-W286 HydrophobicContact CG2-CZ3 3.05Å; V40-Y363 HydrophobicContact CG1-CE1 4.37Å; V40-Y363 HydrophobicContact CG1-CE2 4.41Å; V40-Y363 WeakPolarHBondContact CG1-OH 3.32Å
41	P	54.1	Low	66.5	Low	86 Å²	86	88.5 Å²	88.5	56%	0.558	46%	0.458	S	S	*	.			trans	-56.7	119.4	-179.5	-16.8	29.6	0	0	0	106.8	N39 L43	N39-P41 VanDerWaalsContact O-CD 3.26Å; N39-P41 WeakPolarHBondContact O-CD 3.39Å; P41-L43 PolarHBondContact O-N 2.89Å
42	L	71.3	Confident	69.1	Low	133 Å²	133	83.1 Å²	83.1	70%	0.696	43%	0.43	S	S	*	.			trans	-58.6	112.6	161.3	-72.9	171.2	0	0	0	104.9	V40 D44	V40-L42 PolarHBondContact O-N 3.3Å; L42-D44 PolarHBondContact O-N 3.13Å
43	L	85.8	Confident	71.7	Confident	31 Å²	31	84.5 Å²	84.5	16%	0.162	44%	0.441	C	S	.	.			trans	-60.2	134.4	176.1	-62.2	-179.9	0	0	0	107.3	P41 E47 W48 V51 I291 L364	P41-L43 PolarHBondContact O-N 2.89Å; L43-E47 HydrophobicContact CB-CB 3.89Å; L43-E47 HydrophobicContact CD2-CB 4.09Å; L43-E47 HydrophobicContact CG-CB 4.46Å; L43-W48 HydrophobicContact CB-CB 4.03Å; L43-V51 HydrophobicContact CD1-CB 3.89Å; L43-V51 HydrophobicContact CD1-CG1 4.15Å; L43-V51 HydrophobicContact CD1-CG2 3.94Å; L43-I291 HydrophobicContact CD1-CD1 4.24Å; L43-I291 HydrophobicContact CD2-CG1 4.28Å; L43-L364 HydrophobicContact CD1-CD2 3.62Å
44	D	89.9	Confident	74.2	Confident	84 Å²	84	80.4 Å²	80.4	45%	0.449	42%	0.423	S	S	.	.			trans	-63.7	169.5	167.8	74.1	41.1	0	0	0	110.3	L42 Q46 E47 W48	L42-D44 PolarHBondContact O-N 3.13Å; D44-Q46 PolarHBondContact O-N 2.83Å; D44-Q46 VanDerWaalsContact O-N 3.17Å; D44-Q46 WeakPolarHBondContact OD1-CA 3.27Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.5Å; D44-Q46 PolarHBondContact OD1-N 3.35Å; D44-E47 PolarHBondContact N-OE2 3.02Å; D44-E47 PolarHBondContact O-N 2.67Å; D44-E47 PolarHBondContact OD1-N 3.27Å; D44-W48 WeakPolarHBondContact O-CB 3.19Å; D44-W48 PolarHBondContact O-N 2.84Å
45	S	88.7	Confident	77	Confident	94 Å²	94	74.2 Å²	74.2	66%	0.657	39%	0.39	S	S	*	.	H	α-helix	trans	-59.3	-32.4	-175.3	-55.7	0	0	0	0	113.5	E49	S45-E49 WeakPolarHBondContact O-CB 3.26Å; S45-E49 PolarHBondContact O-N 2.98Å; S45-E49 VanDerWaalsContact O-N 3.16Å
46	Q	91.6	Very high	79.6	Confident	137 Å²	137	70.4 Å²	70.4	64%	0.64	37%	0.369	S	S	*	.	H	α-helix	trans	-76.6	-45.8	179.5	-178.4	178.3	-0.7	0	0	110.8	D44 W48 E49 I50	D44-Q46 PolarHBondContact O-N 2.83Å; D44-Q46 VanDerWaalsContact O-N 3.17Å; D44-Q46 WeakPolarHBondContact OD1-CA 3.27Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.5Å; D44-Q46 PolarHBondContact OD1-N 3.35Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.35Å; Q46-E49 PolarHBondContact O-N 3.13Å; Q46-I50 HydrophobicContact CG-CD1 4.11Å; Q46-I50 VanDerWaalsContact O-CG1 3.32Å; Q46-I50 WeakPolarHBondContact O-CG1 3.42Å; Q46-I50 PolarHBondContact O-N 2.79Å; Q46-I50 VanDerWaalsContact O-N 3.07Å
47	E	92.6	Very high	82.3	Confident	90 Å²	90	71 Å²	71	42%	0.421	37%	0.373	S	S	.	.	H	α-helix	trans	-59.6	-43.1	174.5	-68.3	178.7	141.6	0	0	111.1	L43 D44 E49 I50 V51	L43-E47 HydrophobicContact CB-CB 3.89Å; L43-E47 HydrophobicContact CD2-CB 4.09Å; L43-E47 HydrophobicContact CG-CB 4.46Å; D44-E47 PolarHBondContact N-OE2 3.02Å; D44-E47 PolarHBondContact O-N 2.67Å; D44-E47 PolarHBondContact OD1-N 3.27Å; E47-E49 PolarHBondContact O-N 3.31Å; E47-I50 PolarHBondContact O-N 3.5Å; E47-V51 WeakPolarHBondContact O-CB 3.12Å; E47-V51 VanDerWaalsContact O-CG2 3.26Å; E47-V51 WeakPolarHBondContact O-CG2 3.28Å; E47-V51 PolarHBondContact O-N 2.92Å
48	W	93.6	Very high	84.9	Confident	11 Å²	11	65.3 Å²	65.3	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-59.5	-45.4	177.4	-178.8	92.4	0	0	0	111.8	L43 D44 Q46 T52 P100 I103 L364 I365 H368	L43-W48 HydrophobicContact CB-CB 4.03Å; D44-W48 WeakPolarHBondContact O-CB 3.19Å; D44-W48 PolarHBondContact O-N 2.84Å; Q46-W48 VanDerWaalsContact C-N 3.29Å; Q46-W48 PolarHBondContact O-N 3.35Å; W48-T52 HydrophobicContact CH2-CG2 4.24Å; W48-T52 HydrophobicContact CZ2-CG2 4.25Å; W48-T52 WeakPolarHBondContact O-CB 3.25Å; W48-T52 PolarHBondContact O-N 3.35Å; W48-T52 PolarHBondContact O-OG1 2.76Å; W48-P100 HydrophobicContact CH2-CG 4.17Å; W48-P100 HydrophobicContact CZ3-CG 3.93Å; W48-I103 HydrophobicContact CH2-CG1 4.05Å; W48-I103 HydrophobicContact CZ3-CG1 4.18Å; W48-L364 PolarHBondContact NE1-O 3.28Å; W48-I365 HydrophobicContact CH2-CD1 4.19Å; W48-I365 HydrophobicContact CZ2-CD1 3.67Å; W48-H368 AromaticContact CD1-ND1 3.53Å; W48-H368 AromaticContact CD2-CE1 3.51Å; W48-H368 AromaticContact CD2-CG 3.89Å; W48-H368 AromaticContact CD2-ND1 3.12Å; W48-H368 AromaticContact CE2-CE1 3.85Å; W48-H368 AromaticContact CE2-CG 3.41Å; W48-H368 VanDerWaalsContact CE2-CG 3.41Å; W48-H368 AromaticContact CE2-ND1 3.14Å; W48-H368 AromaticContact CE3-CE1 3.5Å; W48-H368 AromaticContact CE3-ND1 3.64Å; W48-H368 AromaticContact CG-ND1 3.41Å; W48-H368 HydrophobicContact CZ2-CB 3.79Å; W48-H368 AromaticContact CZ2-CG 3.54Å; W48-H368 AromaticContact CZ2-ND1 3.68Å; W48-H368 AromaticContact CZ3-CE1 3.87Å; W48-H368 AromaticContact NE1-CG 3.62Å; W48-H368 AromaticContact NE1-ND1 3.37Å; W48-H368 PolarHBondContact NE1-ND1 3.02Å
49	E	93.9	Very high	87.5	Confident	115 Å²	115	56.5 Å²	56.5	54%	0.537	31%	0.305	S	S	.	.	H	α-helix	trans	-63.3	-44.8	179.1	-173.8	176.5	-179.4	0	0	111.1	S45 Q46 E47 S53	S45-E49 WeakPolarHBondContact O-CB 3.26Å; S45-E49 PolarHBondContact O-N 2.98Å; S45-E49 VanDerWaalsContact O-N 3.16Å; Q46-E49 PolarHBondContact O-N 3.13Å; E47-E49 PolarHBondContact O-N 3.31Å; E49-S53 WeakPolarHBondContact O-CB 3.48Å; E49-S53 PolarHBondContact O-N 2.88Å
50	I	95.9	Very high	90.1	Very high	92 Å²	92	53 Å²	53	47%	0.472	28%	0.284	S	S	.	.	H	α-helix	trans	-62.4	-52.8	178.2	-67.7	167	0	0	0	110.6	Q46 E47 S53 L54	Q46-I50 HydrophobicContact CG-CD1 4.11Å; Q46-I50 VanDerWaalsContact O-CG1 3.32Å; Q46-I50 WeakPolarHBondContact O-CG1 3.42Å; Q46-I50 PolarHBondContact O-N 2.79Å; Q46-I50 VanDerWaalsContact O-N 3.07Å; E47-I50 PolarHBondContact O-N 3.5Å; I50-S53 PolarHBondContact O-N 2.6Å; I50-L54 HydrophobicContact CG2-CD1 4.16Å; I50-L54 WeakPolarHBondContact O-CG 3.41Å; I50-L54 PolarHBondContact O-N 3.42Å
51	V	96.6	Very high	92.3	Very high	13 Å²	13	55.4 Å²	55.4	8%	0.079	30%	0.297	C	S	.	.	H	α-helix	trans	-66.5	-42	-176.1	176.5	0	0	0	0	110.9	L43 E47 S53 L54 V55 I291 L294 L364	L43-V51 HydrophobicContact CD1-CB 3.89Å; L43-V51 HydrophobicContact CD1-CG1 4.15Å; L43-V51 HydrophobicContact CD1-CG2 3.94Å; E47-V51 WeakPolarHBondContact O-CB 3.12Å; E47-V51 VanDerWaalsContact O-CG2 3.26Å; E47-V51 WeakPolarHBondContact O-CG2 3.28Å; E47-V51 PolarHBondContact O-N 2.92Å; V51-S53 VanDerWaalsContact C-N 3.35Å; V51-S53 PolarHBondContact O-N 3.23Å; V51-L54 PolarHBondContact O-N 3.32Å; V51-V55 WeakPolarHBondContact O-CG2 3.43Å; V51-V55 PolarHBondContact O-N 2.96Å; V51-I291 HydrophobicContact CG1-CD1 4.27Å; V51-L294 HydrophobicContact CG1-CD2 3.57Å; V51-L364 HydrophobicContact CB-CD2 4.46Å; V51-L364 HydrophobicContact CG1-CD1 3.91Å; V51-L364 HydrophobicContact CG1-CD2 3.89Å
52	T	96.5	Very high	94.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63	-42.3	176	-57.8	0	0	0	0	111.1	W48 L54 V55 M56 I103 L361 I365	W48-T52 HydrophobicContact CH2-CG2 4.24Å; W48-T52 HydrophobicContact CZ2-CG2 4.25Å; W48-T52 WeakPolarHBondContact O-CB 3.25Å; W48-T52 PolarHBondContact O-N 3.35Å; W48-T52 PolarHBondContact O-OG1 2.76Å; T52-L54 PolarHBondContact O-N 3Å; T52-V55 PolarHBondContact O-N 3.2Å; T52-M56 HydrophobicContact CG2-CG 4.48Å; T52-M56 HydrophobicContact CG2-SD 4.35Å; T52-M56 VanDerWaalsContact O-CG 3.32Å; T52-M56 WeakPolarHBondContact O-CG 3.4Å; T52-M56 PolarHBondContact O-N 2.94Å; T52-I103 HydrophobicContact CG2-CD1 4.07Å; T52-L361 HydrophobicContact CG2-CD1 4.43Å; T52-I365 HydrophobicContact CG2-CD1 4.45Å
53	S	97.7	Very high	95.7	Very high	39 Å²	39	45.2 Å²	45.2	27%	0.273	24%	0.238	S	C	.	.	H	α-helix	trans	-60.4	-45.8	174.6	-171.8	0	0	0	0	111.5	E49 I50 V51 V55 M56 D57 R106	E49-S53 WeakPolarHBondContact O-CB 3.48Å; E49-S53 PolarHBondContact O-N 2.88Å; I50-S53 PolarHBondContact O-N 2.6Å; V51-S53 VanDerWaalsContact C-N 3.35Å; V51-S53 PolarHBondContact O-N 3.23Å; S53-V55 PolarHBondContact O-N 3.41Å; S53-M56 CarbonylContact O-C 3.59Å; S53-M56 PolarHBondContact O-N 3.36Å; S53-D57 WeakPolarHBondContact O-CB 3.45Å; S53-D57 PolarHBondContact O-N 3.08Å; S53-D57 PolarHBondContact OG-OD2 3.3Å; S53-D57 VanDerWaalsContact OG-OD2 3.09Å; S53-R106 PolarHBondContact O-NH1 3.39Å; S53-R106 PolarHBondContact OG-NH1 2.95Å; S53-R106 VanDerWaalsContact OG-NH1 3.12Å
54	L	98.3	Very high	96.3	Very high	56 Å²	56	49.8 Å²	49.8	29%	0.293	26%	0.257	S	S	.	.	H	α-helix	trans	-58.9	-44.5	178.9	-73.7	173.3	0	0	0	112.2	I50 V51 T52 D57 S58 M295 I298	I50-L54 HydrophobicContact CG2-CD1 4.16Å; I50-L54 WeakPolarHBondContact O-CG 3.41Å; I50-L54 PolarHBondContact O-N 3.42Å; V51-L54 PolarHBondContact O-N 3.32Å; T52-L54 PolarHBondContact O-N 3Å; L54-D57 PolarHBondContact O-N 3.23Å; L54-S58 WeakPolarHBondContact O-CB 3.3Å; L54-S58 PolarHBondContact O-N 2.9Å; L54-S58 PolarHBondContact O-OG 2.88Å; L54-M295 HydrophobicContact CD1-CE 4.25Å; L54-M295 HydrophobicContact CD1-SD 4.22Å; L54-I298 HydrophobicContact CB-CD1 3.92Å
55	V	98.7	Very high	96.8	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-47.1	175.5	173.3	0	0	0	0	110.8	V51 T52 S53 S58 I59 L294 L357 L361 L364	V51-V55 WeakPolarHBondContact O-CG2 3.43Å; V51-V55 PolarHBondContact O-N 2.96Å; T52-V55 PolarHBondContact O-N 3.2Å; S53-V55 PolarHBondContact O-N 3.41Å; V55-S58 PolarHBondContact O-N 3.2Å; V55-I59 HydrophobicContact CG1-CD1 3.88Å; V55-I59 VanDerWaalsContact O-CG1 3.31Å; V55-I59 WeakPolarHBondContact O-CG1 3.28Å; V55-I59 PolarHBondContact O-N 3.15Å; V55-L294 HydrophobicContact CG2-CD1 3.9Å; V55-L294 HydrophobicContact CG2-CD2 3.62Å; V55-L294 HydrophobicContact CG2-CG 4.34Å; V55-L357 HydrophobicContact CG1-CB 4.35Å; V55-L357 HydrophobicContact CG1-CD2 4.39Å; V55-L357 WeakPolarHBondContact CG1-O 3.38Å; V55-L361 HydrophobicContact CG1-CB 3.93Å; V55-L361 HydrophobicContact CG1-CD1 4.19Å; V55-L364 HydrophobicContact CB-CD1 4.39Å; V55-L364 HydrophobicContact CG2-CD1 3.78Å
56	M	98.8	Very high	97.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.8	-39.6	179.6	-68.5	-168	77.8	0	0	112.3	T52 S53 S58 I59 E60 I103 R106 M107 L361	T52-M56 HydrophobicContact CG2-CG 4.48Å; T52-M56 HydrophobicContact CG2-SD 4.35Å; T52-M56 VanDerWaalsContact O-CG 3.32Å; T52-M56 WeakPolarHBondContact O-CG 3.4Å; T52-M56 PolarHBondContact O-N 2.94Å; S53-M56 CarbonylContact O-C 3.59Å; S53-M56 PolarHBondContact O-N 3.36Å; M56-S58 VanDerWaalsContact C-N 3.32Å; M56-S58 PolarHBondContact O-N 2.85Å; M56-I59 PolarHBondContact O-N 3.25Å; M56-E60 WeakPolarHBondContact O-CB 3.44Å; M56-E60 VanDerWaalsContact O-CG 3.26Å; M56-E60 WeakPolarHBondContact O-CG 3.34Å; M56-E60 PolarHBondContact O-N 3.2Å; M56-I103 HydrophobicContact SD-CD1 4.07Å; M56-I103 HydrophobicContact SD-CG2 4.11Å; M56-R106 VanDerWaalsContact CB-CZ 3.43Å; M56-R106 HydrophobicContact CE-CB 3.7Å; M56-R106 HydrophobicContact CE-CG 3.49Å; M56-R106 VanDerWaalsContact CE-CG 3.49Å; M56-R106 HydrophobicContact SD-CG 4.35Å; M56-M107 HydrophobicContact CE-CB 4.33Å; M56-M107 HydrophobicContact CE-CG 3.53Å; M56-M107 HydrophobicContact SD-CE 4.48Å; M56-M107 HydrophobicContact SD-CG 4.38Å; M56-L361 HydrophobicContact CG-CD1 3.95Å
57	D	98.7	Very high	97.6	Very high	60 Å²	60	39.9 Å²	39.9	32%	0.321	19%	0.193	S	C	.	.	H	α-helix	trans	-59.3	-46.3	175.2	-74.3	-43	0	0	0	109.9	S53 L54 E60 N61 R106	S53-D57 WeakPolarHBondContact O-CB 3.45Å; S53-D57 PolarHBondContact O-N 3.08Å; S53-D57 PolarHBondContact OG-OD2 3.3Å; S53-D57 VanDerWaalsContact OG-OD2 3.09Å; L54-D57 PolarHBondContact O-N 3.23Å; D57-E60 PolarHBondContact O-N 3.42Å; D57-N61 VanDerWaalsContact O-CB 3.31Å; D57-N61 WeakPolarHBondContact O-CB 3.41Å; D57-N61 PolarHBondContact O-N 3.1Å; D57-N61 PolarHBondContact O-ND2 2.96Å; D57-N61 VanDerWaalsContact O-ND2 3.1Å; D57-R106 VanDerWaalsContact CA-NH2 3.3Å; D57-R106 VanDerWaalsContact CG-NH2 3.32Å; D57-R106 VanDerWaalsContact N-NH2 3.11Å; D57-R106 IonicContact OD1-CZ 2.72Å; D57-R106 IonicContact OD1-NH1 3.26Å; D57-R106 IonicContact OD1-NH2 2.78Å; D57-R106 PolarHBondContact OD1-NH2 3.32Å
58	S	98.9	Very high	97.9	Very high	4 Å²	4	40.8 Å²	40.8	3%	0.028	20%	0.198	C	C	.	.	H	α-helix	trans	-62	-45.3	177.2	-74.8	0	0	0	0	112.5	L54 V55 M56 A62 Q301	L54-S58 WeakPolarHBondContact O-CB 3.3Å; L54-S58 PolarHBondContact O-N 2.9Å; L54-S58 PolarHBondContact O-OG 2.88Å; V55-S58 PolarHBondContact O-N 3.2Å; M56-S58 VanDerWaalsContact C-N 3.32Å; M56-S58 PolarHBondContact O-N 2.85Å; S58-A62 WeakPolarHBondContact O-CB 3.23Å; S58-A62 PolarHBondContact O-N 2.56Å; S58-Q301 VanDerWaalsContact CA-OE1 3.25Å; S58-Q301 PolarHBondContact O-NE2 2.94Å; S58-Q301 PolarHBondContact OG-OE1 3.17Å
59	I	98.9	Very high	98.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.5	-42.1	178.2	-64.7	169.4	0	0	0	111	V55 M56 A62 T63 V84 L110 M354 L357 L361	V55-I59 HydrophobicContact CG1-CD1 3.88Å; V55-I59 VanDerWaalsContact O-CG1 3.31Å; V55-I59 WeakPolarHBondContact O-CG1 3.28Å; V55-I59 PolarHBondContact O-N 3.15Å; M56-I59 PolarHBondContact O-N 3.25Å; I59-A62 PolarHBondContact O-N 3.36Å; I59-T63 WeakPolarHBondContact O-CB 3.48Å; I59-T63 PolarHBondContact O-N 3.13Å; I59-T63 PolarHBondContact O-OG1 3.42Å; I59-V84 HydrophobicContact CD1-CG1 4.42Å; I59-V84 HydrophobicContact CG2-CG1 3.65Å; I59-L110 HydrophobicContact CB-CD2 4.3Å; I59-L110 HydrophobicContact CG2-CD1 4.28Å; I59-L110 HydrophobicContact CG2-CD2 3.7Å; I59-L110 HydrophobicContact CG2-CG 4.44Å; I59-M354 HydrophobicContact CG2-CE 3.93Å; I59-L357 HydrophobicContact CD1-CB 3.96Å; I59-L357 HydrophobicContact CG1-CB 3.68Å; I59-L357 HydrophobicContact CG1-CD1 4.02Å; I59-L357 HydrophobicContact CG1-CG 4.45Å; I59-L361 HydrophobicContact CD1-CB 4.46Å; I59-L361 HydrophobicContact CD1-CD2 4.02Å
60	E	98.8	Very high	98.3	Very high	44 Å²	44	40.6 Å²	40.6	21%	0.206	19%	0.194	C	C	.	.	H	α-helix	trans	-64.5	-43.5	179.1	-77.7	173.5	178.9	0	0	112.2	M56 D57 T63 K64 R106 L110	M56-E60 WeakPolarHBondContact O-CB 3.44Å; M56-E60 VanDerWaalsContact O-CG 3.26Å; M56-E60 WeakPolarHBondContact O-CG 3.34Å; M56-E60 PolarHBondContact O-N 3.2Å; D57-E60 PolarHBondContact O-N 3.42Å; E60-T63 PolarHBondContact O-N 3.24Å; E60-K64 WeakPolarHBondContact O-CB 3.47Å; E60-K64 PolarHBondContact O-N 3.48Å; E60-R106 VanDerWaalsContact CD-NE 3.29Å; E60-R106 VanDerWaalsContact CD-NH2 3.28Å; E60-R106 WeakPolarHBondContact OE1-CG 3.4Å; E60-R106 IonicContact OE1-CZ 3.95Å; E60-R106 IonicContact OE1-NE 3.64Å; E60-R106 PolarHBondContact OE1-NE 3.42Å; E60-R106 IonicContact OE1-NH2 3.52Å; E60-R106 IonicContact OE2-CZ 3.42Å; E60-R106 IonicContact OE2-NE 3.46Å; E60-R106 PolarHBondContact OE2-NE 3.38Å; E60-R106 IonicContact OE2-NH2 3.49Å; E60-R106 PolarHBondContact OE2-NH2 3.31Å; E60-L110 HydrophobicContact CG-CD1 3.93Å; E60-L110 HydrophobicContact CG-CD2 4.04Å; E60-L110 HydrophobicContact CG-CG 4.42Å
61	N	98.9	Very high	98.3	Very high	74 Å²	74	41.6 Å²	41.6	40%	0.396	20%	0.198	S	C	.	.	H	α-helix	trans	-64.7	-42.4	177.8	-72.7	-30.5	0	0	0	111.4	D57 K64 Y65	D57-N61 VanDerWaalsContact O-CB 3.31Å; D57-N61 WeakPolarHBondContact O-CB 3.41Å; D57-N61 PolarHBondContact O-N 3.1Å; D57-N61 PolarHBondContact O-ND2 2.96Å; D57-N61 VanDerWaalsContact O-ND2 3.1Å; N61-K64 PolarHBondContact O-N 2.65Å; N61-Y65 WeakPolarHBondContact O-CB 3.5Å; N61-Y65 PolarHBondContact O-N 3.44Å
62	A	98.9	Very high	98.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-46	173.7	0	0	0	0	0	111.6	S58 I59 K64 Y65 L66 G305 T350 M354	S58-A62 WeakPolarHBondContact O-CB 3.23Å; S58-A62 PolarHBondContact O-N 2.56Å; I59-A62 PolarHBondContact O-N 3.36Å; A62-K64 VanDerWaalsContact C-N 3.34Å; A62-K64 PolarHBondContact O-N 3.16Å; A62-Y65 PolarHBondContact O-N 3.27Å; A62-L66 WeakPolarHBondContact O-CB 3.34Å; A62-L66 WeakPolarHBondContact O-CG 3.34Å; A62-L66 PolarHBondContact O-N 3.28Å; A62-G305 WeakPolarHBondContact CA-O 3.12Å; A62-G305 WeakPolarHBondContact CB-O 3.41Å; A62-G305 PolarHBondContact N-O 2.88Å; A62-T350 HydrophobicContact CB-CG2 3.95Å; A62-M354 HydrophobicContact CB-CE 4.38Å; A62-M354 HydrophobicContact CB-CG 3.89Å; A62-M354 HydrophobicContact CB-SD 3.76Å
63	T	98.9	Very high	98.3	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.031	22%	0.218	C	C	.	.	H	α-helix	trans	-59	-45	178	-57.2	0	0	0	0	111.5	I59 E60 W67 L110 K113 L114 L117 M354	I59-T63 WeakPolarHBondContact O-CB 3.48Å; I59-T63 PolarHBondContact O-N 3.13Å; I59-T63 PolarHBondContact O-OG1 3.42Å; E60-T63 PolarHBondContact O-N 3.24Å; T63-W67 WeakPolarHBondContact O-CB 3.5Å; T63-W67 PolarHBondContact O-N 2.74Å; T63-L110 HydrophobicContact CG2-CD1 4.25Å; T63-K113 HydrophobicContact CG2-CB 4.3Å; T63-L114 HydrophobicContact CG2-CD2 3.81Å; T63-L114 HydrophobicContact CG2-CG 4.13Å; T63-L117 HydrophobicContact CG2-CD2 4.15Å; T63-M354 WeakPolarHBondContact OG1-CE 3.48Å
64	K	98.7	Very high	98.2	Very high	128 Å²	128	44.7 Å²	44.7	56%	0.557	21%	0.206	S	C	*	.	H	α-helix	trans	-61.6	-48	176.7	-177.8	-174.9	173.1	-172.5	0	111.2	E60 N61 A62 L66 W67 E68	E60-K64 WeakPolarHBondContact O-CB 3.47Å; E60-K64 PolarHBondContact O-N 3.48Å; N61-K64 PolarHBondContact O-N 2.65Å; A62-K64 VanDerWaalsContact C-N 3.34Å; A62-K64 PolarHBondContact O-N 3.16Å; K64-L66 PolarHBondContact O-N 2.73Å; K64-W67 WeakPolarHBondContact O-CB 3.43Å; K64-W67 PolarHBondContact O-N 3.44Å; K64-E68 WeakPolarHBondContact CE-OE1 3.32Å; K64-E68 WeakPolarHBondContact O-CG 3.46Å; K64-E68 PolarHBondContact O-N 3.17Å
65	Y	98.8	Very high	98	Very high	5 Å²	5	42.1 Å²	42.1	2%	0.02	19%	0.192	C	C	.	.	H	α-helix	trans	-60.7	-46.6	179.9	-174.9	-90.4	0	0	0	112	N61 A62 W67 E68 H69 R304 C306 L338 C345	N61-Y65 WeakPolarHBondContact O-CB 3.5Å; N61-Y65 PolarHBondContact O-N 3.44Å; A62-Y65 PolarHBondContact O-N 3.27Å; Y65-W67 VanDerWaalsContact C-N 3.31Å; Y65-W67 PolarHBondContact O-N 3.17Å; Y65-E68 PolarHBondContact O-N 3.05Å; Y65-H69 AromaticContact CD1-ND1 3.93Å; Y65-H69 AromaticContact CD2-CE1 3.78Å; Y65-H69 AromaticContact CD2-ND1 3.9Å; Y65-H69 AromaticContact CE1-CG 3.96Å; Y65-H69 AromaticContact CE1-ND1 3.65Å; Y65-H69 AromaticContact CE2-CE1 3.19Å; Y65-H69 WeakPolarHBondContact CE2-CE1 3.37Å; Y65-H69 AromaticContact CE2-ND1 3.59Å; Y65-H69 AromaticContact CE2-NE2 3.84Å; Y65-H69 AromaticContact CZ-CD2 3.99Å; Y65-H69 AromaticContact CZ-CE1 3.31Å; Y65-H69 AromaticContact CZ-CG 3.89Å; Y65-H69 AromaticContact CZ-ND1 3.44Å; Y65-H69 AromaticContact CZ-NE2 3.63Å; Y65-H69 PolarHBondContact O-N 3.22Å; Y65-H69 VanDerWaalsContact O-N 3.09Å; Y65-H69 PolarHBondContact O-ND1 3.03Å; Y65-H69 PolarHBondContact OH-CE1 3.37Å; Y65-H69 PolarHBondContact OH-NE2 2.94Å; Y65-R304 HydrophobicContact CD2-CB 3.88Å; Y65-R304 WeakPolarHBondContact CD2-O 3.21Å; Y65-R304 HydrophobicContact CE2-CB 3.96Å; Y65-C306 HydrophobicContact CD1-CB 3.41Å; Y65-C306 VanDerWaalsContact CD1-CB 3.41Å; Y65-C306 HydrophobicContact CD2-CB 4.25Å; Y65-C306 HydrophobicContact CE1-CB 3.51Å; Y65-C306 HydrophobicContact CE2-CB 4.36Å; Y65-C306 HydrophobicContact CG-CB 3.81Å; Y65-L338 HydrophobicContact CD1-CD1 4.35Å; Y65-L338 HydrophobicContact CE1-CB 3.92Å; Y65-L338 HydrophobicContact CE1-CD1 3.83Å; Y65-C345 HydrophobicContact CE1-CB 3.58Å; Y65-C345 VanDerWaalsContact OH-CB 3.23Å; Y65-C345 WeakPolarHBondContact OH-CB 3.43Å; Y65-C345 PolarHBondContact OH-SG 2.87Å
66	L	98.7	Very high	97.8	Very high	1 Å²	1	43 Å²	43	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-63	-37	177.5	-69	176.1	0	0	0	111.8	A62 K64 H69 R70 V73 T81 L117 L338 T350 M354	A62-L66 WeakPolarHBondContact O-CB 3.34Å; A62-L66 WeakPolarHBondContact O-CG 3.34Å; A62-L66 PolarHBondContact O-N 3.28Å; K64-L66 PolarHBondContact O-N 2.73Å; L66-H69 CarbonylContact O-C 3.59Å; L66-H69 PolarHBondContact O-N 3.34Å; L66-R70 WeakPolarHBondContact O-CA 3.47Å; L66-R70 WeakPolarHBondContact O-CB 3.36Å; L66-R70 PolarHBondContact O-N 3.02Å; L66-V73 HydrophobicContact CB-CG2 4.38Å; L66-V73 HydrophobicContact CD2-CG1 4.27Å; L66-V73 HydrophobicContact CD2-CG2 3.72Å; L66-T81 HydrophobicContact CD1-CG2 3.42Å; L66-T81 VanDerWaalsContact CD1-CG2 3.42Å; L66-L117 HydrophobicContact CB-CD2 3.94Å; L66-L338 HydrophobicContact CD2-CD1 3.73Å; L66-T350 HydrophobicContact CD1-CG2 4.02Å; L66-T350 HydrophobicContact CD2-CG2 4.18Å; L66-T350 HydrophobicContact CG-CG2 4.12Å; L66-M354 HydrophobicContact CD1-SD 3.77Å
67	W	98.5	Very high	97.6	Very high	100 Å²	100	43 Å²	43	38%	0.379	20%	0.197	S	C	.	.	H	α-helix	trans	-61.9	-44.3	172.8	176.2	-101.8	0	0	0	113	T63 K64 Y65 H69 R70 I116 L117	T63-W67 WeakPolarHBondContact O-CB 3.5Å; T63-W67 PolarHBondContact O-N 2.74Å; K64-W67 WeakPolarHBondContact O-CB 3.43Å; K64-W67 PolarHBondContact O-N 3.44Å; Y65-W67 VanDerWaalsContact C-N 3.31Å; Y65-W67 PolarHBondContact O-N 3.17Å; W67-H69 PolarHBondContact O-N 3.18Å; W67-R70 WeakPolarHBondContact O-CB 3.39Å; W67-R70 VanDerWaalsContact O-CD 3.32Å; W67-R70 WeakPolarHBondContact O-CD 3.4Å; W67-R70 VanDerWaalsContact O-CG 3.23Å; W67-R70 WeakPolarHBondContact O-CG 3.41Å; W67-R70 PolarHBondContact O-N 3.33Å; W67-R70 PolarHBondContact O-NH1 3.39Å; W67-I116 HydrophobicContact CH2-CG2 3.74Å; W67-I116 HydrophobicContact CZ3-CG2 3.65Å; W67-L117 HydrophobicContact CB-CD1 4.33Å; W67-L117 HydrophobicContact CE3-CB 4.31Å; W67-L117 HydrophobicContact CE3-CD1 3.99Å
68	E	98.4	Very high	97.6	Very high	110 Å²	110	40.1 Å²	40.1	51%	0.514	18%	0.182	S	C	.	.	H	α-helix	trans	-63.2	-30.9	177.7	-70.9	173.1	-177.4	0	0	112	K64 Y65	K64-E68 WeakPolarHBondContact CE-OE1 3.32Å; K64-E68 WeakPolarHBondContact O-CG 3.46Å; K64-E68 PolarHBondContact O-N 3.17Å; Y65-E68 PolarHBondContact O-N 3.05Å
69	H	98.2	Very high	97.5	Very high	50 Å²	50	41 Å²	41	23%	0.231	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	13.7	-178.4	-58.8	75.4	0	0	0	113.4	Y65 L66 W67 M71 K72 V73 L338	Y65-H69 AromaticContact CD1-ND1 3.93Å; Y65-H69 AromaticContact CD2-CE1 3.78Å; Y65-H69 AromaticContact CD2-ND1 3.9Å; Y65-H69 AromaticContact CE1-CG 3.96Å; Y65-H69 AromaticContact CE1-ND1 3.65Å; Y65-H69 AromaticContact CE2-CE1 3.19Å; Y65-H69 WeakPolarHBondContact CE2-CE1 3.37Å; Y65-H69 AromaticContact CE2-ND1 3.59Å; Y65-H69 AromaticContact CE2-NE2 3.84Å; Y65-H69 AromaticContact CZ-CD2 3.99Å; Y65-H69 AromaticContact CZ-CE1 3.31Å; Y65-H69 AromaticContact CZ-CG 3.89Å; Y65-H69 AromaticContact CZ-ND1 3.44Å; Y65-H69 AromaticContact CZ-NE2 3.63Å; Y65-H69 PolarHBondContact O-N 3.22Å; Y65-H69 VanDerWaalsContact O-N 3.09Å; Y65-H69 PolarHBondContact O-ND1 3.03Å; Y65-H69 PolarHBondContact OH-CE1 3.37Å; Y65-H69 PolarHBondContact OH-NE2 2.94Å; L66-H69 CarbonylContact O-C 3.59Å; L66-H69 PolarHBondContact O-N 3.34Å; W67-H69 PolarHBondContact O-N 3.18Å; H69-M71 PolarHBondContact O-N 2.98Å; H69-K72 PolarHBondContact O-N 3.33Å; H69-V73 PolarHBondContact O-N 3.16Å; H69-L338 HydrophobicContact CB-CB 4.34Å; H69-L338 HydrophobicContact CB-CD2 4.46Å; H69-L338 PolarHBondContact CD2-O 2.69Å; H69-L338 VanDerWaalsContact CD2-O 3.28Å
70	R	97.9	Very high	97.5	Very high	72 Å²	72	41 Å²	41	27%	0.272	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-27.4	-167.5	65.5	-171.6	177.6	-75.1	-2.8	115.6	L66 W67 K72 Y78 L117 F120 N124	L66-R70 WeakPolarHBondContact O-CA 3.47Å; L66-R70 WeakPolarHBondContact O-CB 3.36Å; L66-R70 PolarHBondContact O-N 3.02Å; W67-R70 WeakPolarHBondContact O-CB 3.39Å; W67-R70 VanDerWaalsContact O-CD 3.32Å; W67-R70 WeakPolarHBondContact O-CD 3.4Å; W67-R70 VanDerWaalsContact O-CG 3.23Å; W67-R70 WeakPolarHBondContact O-CG 3.41Å; W67-R70 PolarHBondContact O-N 3.33Å; W67-R70 PolarHBondContact O-NH1 3.39Å; R70-K72 PolarHBondContact O-N 2.87Å; R70-Y78 WeakPolarHBondContact CB-OH 3.05Å; R70-Y78 PolarHBondContact O-OH 3.24Å; R70-L117 HydrophobicContact CB-CD1 4.14Å; R70-F120 HydrophobicContact CB-CD1 3.86Å; R70-F120 HydrophobicContact CB-CE1 3.83Å; R70-F120 HydrophobicContact CG-CD1 3.88Å; R70-F120 HydrophobicContact CG-CE1 3.6Å; R70-F120 HydrophobicContact CG-CZ 4.08Å; R70-N124 PolarHBondContact O-ND2 3.39Å
71	M	96.3	Very high	97.5	Very high	113 Å²	113	38.9 Å²	38.9	56%	0.557	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-22.1	176	-60.8	-63.1	-55.6	0	0	113	H69 F120 Q128	H69-M71 PolarHBondContact O-N 2.98Å; M71-F120 HydrophobicContact SD-CE1 4.28Å; M71-F120 HydrophobicContact SD-CE2 4.3Å; M71-F120 HydrophobicContact SD-CZ 3.47Å; M71-F120 WeakPolarHBondContact SD-CZ 3.03Å; M71-Q128 PolarHBondContact O-NE2 3.31Å
72	K	95.9	Very high	97.5	Very high	112 Å²	112	35.4 Å²	35.4	49%	0.487	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-15.8	-178.8	-64.7	-174.5	179.5	-176.6	0	113.3	H69 R70 N74 Q336 L338	H69-K72 PolarHBondContact O-N 3.33Å; R70-K72 PolarHBondContact O-N 2.87Å; K72-N74 PolarHBondContact O-N 3.42Å; K72-Q336 WeakPolarHBondContact O-CG 3.45Å; K72-L338 HydrophobicContact CB-CD2 3.77Å
73	V	97.4	Very high	97.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.157	C	C	.	.			trans	-62.8	131.8	-179.5	-179.7	0	0	0	0	108.9	L66 H69 Y78 I125 L338 S347	L66-V73 HydrophobicContact CB-CG2 4.38Å; L66-V73 HydrophobicContact CD2-CG1 4.27Å; L66-V73 HydrophobicContact CD2-CG2 3.72Å; H69-V73 PolarHBondContact O-N 3.16Å; V73-Y78 HydrophobicContact CB-CD2 4.23Å; V73-Y78 HydrophobicContact CB-CE2 3.57Å; V73-Y78 HydrophobicContact CG1-CD1 4.46Å; V73-Y78 HydrophobicContact CG1-CD2 3.63Å; V73-Y78 HydrophobicContact CG1-CE1 4.34Å; V73-Y78 HydrophobicContact CG1-CE2 3.48Å; V73-Y78 VanDerWaalsContact CG1-CE2 3.48Å; V73-Y78 HydrophobicContact CG1-CG 4.13Å; V73-I125 WeakPolarHBondContact O-CD1 3.24Å; V73-L338 HydrophobicContact CG2-CD1 4.28Å; V73-L338 HydrophobicContact CG2-CD2 4.05Å; V73-S347 WeakPolarHBondContact CG1-OG 3.47Å
74	N	95.2	Very high	97.4	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.027	16%	0.156	C	C	.	.			trans	-89.3	177.1	177.4	71.6	-11	0	0	0	112	K72 D76 G77 Y78 Y325 S334 Q336 S347	K72-N74 PolarHBondContact O-N 3.42Å; N74-D76 VanDerWaalsContact C-N 3.35Å; N74-D76 PolarHBondContact O-N 2.91Å; N74-G77 PolarHBondContact O-N 3.39Å; N74-G77 VanDerWaalsContact O-N 3.1Å; N74-G77 PolarHBondContact OD1-N 2.9Å; N74-Y78 WeakPolarHBondContact O-CD2 2.88Å; N74-Y78 PolarHBondContact O-N 3.02Å; N74-Y325 HydrophobicContact CB-CE2 4.26Å; N74-S334 VanDerWaalsContact ND2-C 3.28Å; N74-S334 PolarHBondContact ND2-O 2.89Å; N74-Q336 HydrophobicContact CB-CB 3.96Å; N74-S347 PolarHBondContact N-OG 3.41Å; N74-S347 VanDerWaalsContact N-OG 3.13Å; N74-S347 VanDerWaalsContact OD1-CB 3.28Å; N74-S347 WeakPolarHBondContact OD1-CB 3.37Å; N74-S347 PolarHBondContact OD1-OG 2.63Å
75	L	95.5	Very high	97.4	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-53.9	-50.4	-176.7	-172.1	152.9	0	0	0	111.8	G77 Y78 L79 I125 Y132 F133 V136 L140	L75-G77 PolarHBondContact O-N 3.23Å; L75-Y78 PolarHBondContact O-N 3.16Å; L75-L79 PolarHBondContact O-N 2.96Å; L75-L79 VanDerWaalsContact O-N 3.17Å; L75-I125 HydrophobicContact CB-CG2 3.64Å; L75-I125 HydrophobicContact CD1-CG2 3.86Å; L75-I125 HydrophobicContact CG-CG2 3.97Å; L75-Y132 HydrophobicContact CB-CD1 3.75Å; L75-Y132 HydrophobicContact CB-CE1 3.68Å; L75-Y132 HydrophobicContact CD1-CD1 3.8Å; L75-Y132 HydrophobicContact CD1-CE1 4.06Å; L75-Y132 HydrophobicContact CD1-CG 4.37Å; L75-Y132 HydrophobicContact CD2-CE1 4Å; L75-Y132 HydrophobicContact CG-CD1 4.24Å; L75-Y132 HydrophobicContact CG-CE1 4.11Å; L75-F133 HydrophobicContact CD1-CB 4.45Å; L75-F133 HydrophobicContact CD1-CD2 4.34Å; L75-V136 HydrophobicContact CD1-CG2 3.9Å; L75-V136 HydrophobicContact CD2-CG2 3.87Å; L75-L140 HydrophobicContact CG-CD1 4.27Å
76	D	93	Very high	97.4	Very high	17 Å²	17	29.3 Å²	29.3	9%	0.091	13%	0.131	C	C	.	.	H	α-helix	trans	-57.9	-38.8	179.4	-69.5	30.7	0	0	0	111.7	N74 Y78 L79 Y132 H348 S351	N74-D76 VanDerWaalsContact C-N 3.35Å; N74-D76 PolarHBondContact O-N 2.91Å; D76-Y78 VanDerWaalsContact C-N 3.26Å; D76-Y78 PolarHBondContact O-N 3.39Å; D76-L79 WeakPolarHBondContact O-CB 3.47Å; D76-L79 PolarHBondContact O-N 3.45Å; D76-L79 VanDerWaalsContact O-N 3.13Å; D76-Y132 WeakPolarHBondContact OD1-CE1 3.47Å; D76-Y132 PolarHBondContact OD1-OH 3.02Å; D76-H348 HydrophobicContact CB-CB 3.92Å; D76-H348 IonicContact OD2-CE1 3.77Å; D76-H348 IonicContact OD2-CG 2.97Å; D76-H348 IonicContact OD2-ND1 3.49Å; D76-H348 PolarHBondContact OD2-ND1 2.78Å; D76-S351 WeakPolarHBondContact O-CB 3.26Å; D76-S351 PolarHBondContact O-OG 3.4Å
77	G	96.1	Very high	97.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-56.7	-36.7	173.7	0	0	0	0	0	113.9	N74 L75 S347	N74-G77 PolarHBondContact O-N 3.39Å; N74-G77 VanDerWaalsContact O-N 3.1Å; N74-G77 PolarHBondContact OD1-N 2.9Å; L75-G77 PolarHBondContact O-N 3.23Å; G77-S347 WeakPolarHBondContact CA-O 3.34Å; G77-S347 WeakPolarHBondContact CA-OG 3.34Å
78	Y	98.1	Very high	97.3	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	11%	0.113	C	C	.	.	H	α-helix	trans	-84.1	-14.7	177.6	-73.9	-71.5	0	0	0	114	R70 V73 N74 L75 D76 T81 T82 L117 G121 I125	R70-Y78 WeakPolarHBondContact CB-OH 3.05Å; R70-Y78 PolarHBondContact O-OH 3.24Å; V73-Y78 HydrophobicContact CB-CD2 4.23Å; V73-Y78 HydrophobicContact CB-CE2 3.57Å; V73-Y78 HydrophobicContact CG1-CD1 4.46Å; V73-Y78 HydrophobicContact CG1-CD2 3.63Å; V73-Y78 HydrophobicContact CG1-CE1 4.34Å; V73-Y78 HydrophobicContact CG1-CE2 3.48Å; V73-Y78 VanDerWaalsContact CG1-CE2 3.48Å; V73-Y78 HydrophobicContact CG1-CG 4.13Å; N74-Y78 WeakPolarHBondContact O-CD2 2.88Å; N74-Y78 PolarHBondContact O-N 3.02Å; L75-Y78 PolarHBondContact O-N 3.16Å; D76-Y78 VanDerWaalsContact C-N 3.26Å; D76-Y78 PolarHBondContact O-N 3.39Å; Y78-T81 WeakPolarHBondContact CA-OG1 3.36Å; Y78-T81 PolarHBondContact O-OG1 2.89Å; Y78-T82 WeakPolarHBondContact O-CB 3.3Å; Y78-T82 PolarHBondContact O-N 3.32Å; Y78-T82 PolarHBondContact O-OG1 2.9Å; Y78-L117 HydrophobicContact CD1-CG 4.41Å; Y78-L117 HydrophobicContact CE1-CD1 3.72Å; Y78-L117 HydrophobicContact CE1-CG 3.89Å; Y78-L117 WeakPolarHBondContact CE1-O 3.32Å; Y78-G121 VanDerWaalsContact CE2-CA 3.41Å; Y78-I125 HydrophobicContact CD2-CD1 4.03Å; Y78-I125 HydrophobicContact CD2-CG1 3.65Å; Y78-I125 HydrophobicContact CE2-CD1 4.07Å; Y78-I125 HydrophobicContact CE2-CG1 3.94Å
79	L	97.4	Very high	97.2	Very high	22 Å²	22	22.5 Å²	22.5	12%	0.115	10%	0.101	C	C	.	.	H	α-helix	trans	-63.8	-50.3	177.7	-179.8	56.9	0	0	0	111.1	L75 D76 T81 T82 I83 L139 L140 W145 F215	L75-L79 PolarHBondContact O-N 2.96Å; L75-L79 VanDerWaalsContact O-N 3.17Å; D76-L79 WeakPolarHBondContact O-CB 3.47Å; D76-L79 PolarHBondContact O-N 3.45Å; D76-L79 VanDerWaalsContact O-N 3.13Å; L79-T81 PolarHBondContact O-N 3.44Å; L79-T82 WeakPolarHBondContact O-CB 3.43Å; L79-T82 PolarHBondContact O-N 3.3Å; L79-T82 VanDerWaalsContact O-N 3.11Å; L79-I83 HydrophobicContact CD1-CD1 4.22Å; L79-I83 HydrophobicContact CD1-CG1 4.43Å; L79-I83 HydrophobicContact CG-CD1 4.01Å; L79-I83 WeakPolarHBondContact O-CG1 3.38Å; L79-I83 PolarHBondContact O-N 3.12Å; L79-L139 HydrophobicContact CD1-CB 3.81Å; L79-L140 HydrophobicContact CB-CD2 4.31Å; L79-W145 HydrophobicContact CD1-CZ2 4.01Å; L79-F215 HydrophobicContact CD2-CZ 4.37Å
80	G	97.8	Very high	97.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.4	-37.3	-179.5	0	0	0	0	0	113	T82 I83 V84 S351	G80-T82 VanDerWaalsContact C-N 3.33Å; G80-I83 PolarHBondContact O-N 3.07Å; G80-V84 WeakPolarHBondContact O-CG2 3.24Å; G80-V84 PolarHBondContact O-N 2.87Å; G80-S351 VanDerWaalsContact CA-OG 3.24Å; G80-S351 WeakPolarHBondContact CA-OG 3.43Å; G80-S351 PolarHBondContact N-OG 3.31Å
81	T	98.5	Very high	97.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-67.9	-34.1	174	55.1	0	0	0	0	111.9	L66 Y78 L79 E85 L114 L117 N118 M354	L66-T81 HydrophobicContact CD1-CG2 3.42Å; L66-T81 VanDerWaalsContact CD1-CG2 3.42Å; Y78-T81 WeakPolarHBondContact CA-OG1 3.36Å; Y78-T81 PolarHBondContact O-OG1 2.89Å; L79-T81 PolarHBondContact O-N 3.44Å; T81-E85 PolarHBondContact O-N 3.43Å; T81-L114 HydrophobicContact CG2-CD2 4.18Å; T81-L117 HydrophobicContact CG2-CD2 3.85Å; T81-N118 WeakPolarHBondContact CB-OD1 3.34Å; T81-N118 PolarHBondContact O-ND2 3.31Å; T81-N118 VanDerWaalsContact O-ND2 3.16Å; T81-N118 PolarHBondContact OG1-OD1 3.29Å; T81-M354 HydrophobicContact CG2-CE 3.77Å; T81-M354 HydrophobicContact CG2-SD 3.61Å
82	T	98.5	Very high	97.1	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.006	6%	0.056	C	C	.	.	H	α-helix	trans	-66.9	-43.8	173.5	-57.9	0	0	0	0	111.3	Y78 L79 G80 V84 E85 G86 N118 L140 P142	Y78-T82 WeakPolarHBondContact O-CB 3.3Å; Y78-T82 PolarHBondContact O-N 3.32Å; Y78-T82 PolarHBondContact O-OG1 2.9Å; L79-T82 WeakPolarHBondContact O-CB 3.43Å; L79-T82 PolarHBondContact O-N 3.3Å; L79-T82 VanDerWaalsContact O-N 3.11Å; G80-T82 VanDerWaalsContact C-N 3.33Å; T82-V84 VanDerWaalsContact C-N 3.33Å; T82-V84 PolarHBondContact O-N 2.9Å; T82-E85 WeakPolarHBondContact O-CB 3.44Å; T82-E85 PolarHBondContact O-N 3.29Å; T82-G86 PolarHBondContact O-N 3.1Å; T82-N118 WeakPolarHBondContact CA-ND2 3.46Å; T82-L140 WeakPolarHBondContact CG2-O 3.31Å; T82-P142 HydrophobicContact CG2-CB 3.99Å
83	I	98.5	Very high	97.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59.3	-44.8	176.3	-70.6	167.4	0	0	0	110.9	L79 G80 G86 T87 W145 F279 L282 T355	L79-I83 HydrophobicContact CD1-CD1 4.22Å; L79-I83 HydrophobicContact CD1-CG1 4.43Å; L79-I83 HydrophobicContact CG-CD1 4.01Å; L79-I83 WeakPolarHBondContact O-CG1 3.38Å; L79-I83 PolarHBondContact O-N 3.12Å; G80-I83 PolarHBondContact O-N 3.07Å; I83-G86 PolarHBondContact O-N 3.38Å; I83-T87 WeakPolarHBondContact O-CB 3.47Å; I83-T87 PolarHBondContact O-N 3.04Å; I83-T87 PolarHBondContact O-OG1 3.47Å; I83-W145 HydrophobicContact CB-CD2 4.44Å; I83-W145 HydrophobicContact CD1-CH2 3.76Å; I83-W145 HydrophobicContact CD1-CZ2 3.83Å; I83-W145 HydrophobicContact CD1-CZ3 4.13Å; I83-W145 HydrophobicContact CG1-CD2 3.6Å; I83-W145 VanDerWaalsContact CG1-CE2 3.49Å; I83-W145 HydrophobicContact CG1-CE3 3.83Å; I83-W145 HydrophobicContact CG1-CG 4.19Å; I83-W145 HydrophobicContact CG1-CH2 3.82Å; I83-W145 HydrophobicContact CG1-CZ2 3.63Å; I83-W145 HydrophobicContact CG1-CZ3 3.93Å; I83-W145 HydrophobicContact CG2-CE3 4.44Å; I83-F279 HydrophobicContact CD1-CE1 4.45Å; I83-L282 HydrophobicContact CG2-CD1 3.48Å; I83-L282 VanDerWaalsContact CG2-CD1 3.48Å; I83-T355 HydrophobicContact CD1-CG2 3.93Å; I83-T355 HydrophobicContact CG2-CG2 4.4Å
84	V	98.5	Very high	97	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66.3	-40.1	178.7	177.7	0	0	0	0	111.1	I59 G80 T82 T87 I88 L114 M354	I59-V84 HydrophobicContact CD1-CG1 4.42Å; I59-V84 HydrophobicContact CG2-CG1 3.65Å; G80-V84 WeakPolarHBondContact O-CG2 3.24Å; G80-V84 PolarHBondContact O-N 2.87Å; T82-V84 VanDerWaalsContact C-N 3.33Å; T82-V84 PolarHBondContact O-N 2.9Å; V84-T87 PolarHBondContact O-N 3.31Å; V84-I88 HydrophobicContact CG1-CD1 3.75Å; V84-I88 HydrophobicContact CG1-CG1 4.24Å; V84-I88 WeakPolarHBondContact O-CB 3.47Å; V84-I88 WeakPolarHBondContact O-CG1 3.45Å; V84-I88 PolarHBondContact O-N 3.44Å; V84-L114 HydrophobicContact CB-CD1 4.06Å; V84-L114 HydrophobicContact CG1-CD1 3.5Å; V84-L114 VanDerWaalsContact CG1-CD1 3.5Å; V84-M354 HydrophobicContact CG2-CB 4.03Å; V84-M354 HydrophobicContact CG2-CE 4.17Å; V84-M354 WeakPolarHBondContact CG2-O 3.49Å
85	E	98.4	Very high	97	Very high	10 Å²	10	20.7 Å²	20.7	5%	0.047	9%	0.094	C	C	.	.	H	α-helix	trans	-58	-50.5	175.3	-175	-173.7	167.1	0	0	111.2	T81 T82 R89 Q111 L114 K115 N118 P142	T81-E85 PolarHBondContact O-N 3.43Å; T82-E85 WeakPolarHBondContact O-CB 3.44Å; T82-E85 PolarHBondContact O-N 3.29Å; E85-R89 VanDerWaalsContact O-CB 3.31Å; E85-R89 WeakPolarHBondContact O-CB 3.22Å; E85-R89 PolarHBondContact O-N 2.02Å; E85-Q111 HydrophobicContact CG-CG 4.39Å; E85-L114 HydrophobicContact CB-CB 4.09Å; E85-L114 HydrophobicContact CG-CB 4.42Å; E85-K115 WeakPolarHBondContact OE1-CB 3.32Å; E85-N118 PolarHBondContact OE2-ND2 2.91Å; E85-P142 HydrophobicContact CG-CB 4.44Å
86	G	97.9	Very high	97	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.5	-41.4	177.4	0	0	0	0	0	112.6	T82 I83 R89 T90 W145	T82-G86 PolarHBondContact O-N 3.1Å; I83-G86 PolarHBondContact O-N 3.38Å; G86-R89 WeakPolarHBondContact O-CB 3.47Å; G86-R89 PolarHBondContact O-N 3.5Å; G86-T90 WeakPolarHBondContact O-CB 3.11Å; G86-T90 PolarHBondContact O-N 3.45Å; G86-T90 PolarHBondContact O-OG1 3.32Å; G86-W145 CarbonylContact C-O 3.52Å
87	T	97.2	Very high	97	Very high	3 Å²	3	33 Å²	33	2%	0.018	15%	0.145	C	C	.	.	H	α-helix	trans	-63.5	-50.8	178.1	-58.6	0	0	0	0	111.3	I83 V84 R89 T90 L91 F148 S358 R362	I83-T87 WeakPolarHBondContact O-CB 3.47Å; I83-T87 PolarHBondContact O-N 3.04Å; I83-T87 PolarHBondContact O-OG1 3.47Å; V84-T87 PolarHBondContact O-N 3.31Å; T87-R89 VanDerWaalsContact C-N 3.31Å; T87-R89 PolarHBondContact O-N 3.13Å; T87-T90 PolarHBondContact O-N 2.83Å; T87-T90 VanDerWaalsContact O-N 3.15Å; T87-L91 HydrophobicContact CG2-CD1 4.01Å; T87-L91 HydrophobicContact CG2-CG 4.37Å; T87-L91 WeakPolarHBondContact O-CG 3.41Å; T87-L91 PolarHBondContact O-N 3.43Å; T87-F148 HydrophobicContact CG2-CE1 4.02Å; T87-F148 HydrophobicContact CG2-CZ 3.93Å; T87-S358 WeakPolarHBondContact CB-OG 3.45Å; T87-S358 VanDerWaalsContact CG2-OG 3.3Å; T87-S358 WeakPolarHBondContact CG2-OG 3.39Å; T87-S358 PolarHBondContact OG1-OG 3.31Å; T87-R362 HydrophobicContact CG2-CB 4.21Å
88	I	98	Very high	96.7	Very high	0 Å²	0	37 Å²	37	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.1	-42.2	178.2	-71.2	175.1	0	0	0	110.8	V84 T90 L91 L92 M107 L110 Q111 L114 L361	V84-I88 HydrophobicContact CG1-CD1 3.75Å; V84-I88 HydrophobicContact CG1-CG1 4.24Å; V84-I88 WeakPolarHBondContact O-CB 3.47Å; V84-I88 WeakPolarHBondContact O-CG1 3.45Å; V84-I88 PolarHBondContact O-N 3.44Å; I88-T90 VanDerWaalsContact C-N 3.28Å; I88-T90 PolarHBondContact O-N 3.4Å; I88-L91 PolarHBondContact O-N 3.11Å; I88-L92 HydrophobicContact CG2-CD1 3.76Å; I88-L92 HydrophobicContact CG2-CG 4.21Å; I88-L92 WeakPolarHBondContact O-CB 3.41Å; I88-L92 WeakPolarHBondContact O-CG 3.25Å; I88-L92 PolarHBondContact O-N 2.71Å; I88-M107 HydrophobicContact CG2-CB 3.87Å; I88-M107 HydrophobicContact CG2-CG 4.34Å; I88-M107 WeakPolarHBondContact CG2-O 3.45Å; I88-L110 HydrophobicContact CD1-CB 4.33Å; I88-L110 HydrophobicContact CD1-CD2 3.53Å; I88-L110 HydrophobicContact CD1-CG 3.75Å; I88-Q111 HydrophobicContact CG2-CB 3.91Å; I88-Q111 HydrophobicContact CG2-CG 4.43Å; I88-L114 HydrophobicContact CD1-CD1 4.08Å; I88-L361 HydrophobicContact CD1-CD2 4.34Å; I88-L361 HydrophobicContact CG1-CD2 3.89Å
89	R	97.1	Very high	96.4	Very high	65 Å²	65	37.3 Å²	37.3	25%	0.245	16%	0.164	C	C	.	.	H	α-helix	trans	-56.7	-45.1	175.7	-177.3	160.2	49.7	156.4	-17.6	111.4	E85 G86 T87 K93 Q111 P142 D146	E85-R89 VanDerWaalsContact O-CB 3.31Å; E85-R89 WeakPolarHBondContact O-CB 3.22Å; E85-R89 PolarHBondContact O-N 2.02Å; G86-R89 WeakPolarHBondContact O-CB 3.47Å; G86-R89 PolarHBondContact O-N 3.5Å; T87-R89 VanDerWaalsContact C-N 3.31Å; T87-R89 PolarHBondContact O-N 3.13Å; R89-K93 WeakPolarHBondContact O-CB 3.25Å; R89-K93 PolarHBondContact O-N 2.67Å; R89-Q111 VanDerWaalsContact CB-NE2 3.28Å; R89-P142 PolarHBondContact NH2-O 3.35Å; R89-D146 IonicContact CZ-OD1 3.66Å; R89-D146 IonicContact CZ-OD2 2.74Å; R89-D146 VanDerWaalsContact NE-CG 3.32Å; R89-D146 IonicContact NE-OD1 3.44Å; R89-D146 PolarHBondContact NE-OD1 3.3Å; R89-D146 IonicContact NE-OD2 3.53Å; R89-D146 PolarHBondContact NE-OD2 3.38Å; R89-D146 IonicContact NH1-OD1 3.6Å; R89-D146 IonicContact NH1-OD2 2.63Å; R89-D146 PolarHBondContact NH1-OD2 3.44Å; R89-D146 IonicContact NH2-OD1 3.65Å; R89-D146 PolarHBondContact NH2-OD1 2.82Å; R89-D146 IonicContact NH2-OD2 3.74Å; R89-D146 PolarHBondContact NH2-OD2 2.88Å
90	T	96.8	Very high	96.2	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.025	17%	0.172	C	C	.	.	H	α-helix	trans	-68.8	-41.7	180	-55	0	0	0	0	111.6	G86 T87 I88 K93 L94 D146 F148	G86-T90 WeakPolarHBondContact O-CB 3.11Å; G86-T90 PolarHBondContact O-N 3.45Å; G86-T90 PolarHBondContact O-OG1 3.32Å; T87-T90 PolarHBondContact O-N 2.83Å; T87-T90 VanDerWaalsContact O-N 3.15Å; I88-T90 VanDerWaalsContact C-N 3.28Å; I88-T90 PolarHBondContact O-N 3.4Å; T90-K93 WeakPolarHBondContact O-CB 3.12Å; T90-K93 PolarHBondContact O-N 3.18Å; T90-K93 VanDerWaalsContact O-N 3.14Å; T90-L94 HydrophobicContact CG2-CD1 3.75Å; T90-L94 HydrophobicContact CG2-CG 4.27Å; T90-L94 PolarHBondContact O-N 2.93Å; T90-D146 VanDerWaalsContact OG1-C 3.27Å; T90-D146 WeakPolarHBondContact OG1-CA 3.4Å; T90-D146 PolarHBondContact OG1-O 2.86Å; T90-F148 HydrophobicContact CG2-CD1 3.72Å; T90-F148 HydrophobicContact CG2-CD2 3.71Å; T90-F148 HydrophobicContact CG2-CE1 3.67Å; T90-F148 HydrophobicContact CG2-CE2 3.66Å; T90-F148 HydrophobicContact CG2-CG 3.74Å; T90-F148 HydrophobicContact CG2-CZ 3.65Å
91	L	97.1	Very high	96.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.2	-45.9	174.5	-68	172	0	0	0	112.2	T87 I88 K93 L94 Y95 M99 M107 F148 L361 R362 I365	T87-L91 HydrophobicContact CG2-CD1 4.01Å; T87-L91 HydrophobicContact CG2-CG 4.37Å; T87-L91 WeakPolarHBondContact O-CG 3.41Å; T87-L91 PolarHBondContact O-N 3.43Å; I88-L91 PolarHBondContact O-N 3.11Å; L91-K93 PolarHBondContact O-N 3.16Å; L91-L94 PolarHBondContact O-N 3.13Å; L91-Y95 HydrophobicContact CD2-CD2 3.91Å; L91-Y95 HydrophobicContact CD2-CE2 4.42Å; L91-Y95 WeakPolarHBondContact O-CA 3.47Å; L91-Y95 PolarHBondContact O-N 3.2Å; L91-M99 WeakPolarHBondContact O-CE 2.96Å; L91-M107 HydrophobicContact CB-SD 4.45Å; L91-M107 HydrophobicContact CD1-CE 4.19Å; L91-F148 HydrophobicContact CD2-CE2 3.59Å; L91-F148 HydrophobicContact CD2-CZ 3.81Å; L91-F148 HydrophobicContact CG-CE2 4.12Å; L91-F148 HydrophobicContact CG-CZ 3.85Å; L91-L361 HydrophobicContact CD1-CD2 4.24Å; L91-L361 HydrophobicContact CD1-CG 3.95Å; L91-R362 HydrophobicContact CD2-CG 4.43Å; L91-I365 HydrophobicContact CB-CG2 4.5Å; L91-I365 HydrophobicContact CD1-CB 4.44Å; L91-I365 HydrophobicContact CD1-CG1 4.28Å; L91-I365 HydrophobicContact CD2-CB 3.92Å; L91-I365 HydrophobicContact CD2-CG2 3.81Å
92	L	96.9	Very high	96	Very high	18 Å²	18	50.8 Å²	50.8	9%	0.094	23%	0.226	C	C	.	.	H	α-helix	trans	-64.8	-25.5	175.9	-73.8	172.3	0	0	0	112.9	I88 R96 M99 M107 Q108	I88-L92 HydrophobicContact CG2-CD1 3.76Å; I88-L92 HydrophobicContact CG2-CG 4.21Å; I88-L92 WeakPolarHBondContact O-CB 3.41Å; I88-L92 WeakPolarHBondContact O-CG 3.25Å; I88-L92 PolarHBondContact O-N 2.71Å; L92-R96 WeakPolarHBondContact O-CB 3.33Å; L92-M99 HydrophobicContact CD2-CE 4.13Å; L92-M107 HydrophobicContact CD1-CB 4.24Å; L92-M107 HydrophobicContact CD2-CB 3.98Å; L92-M107 HydrophobicContact CG-CB 4.2Å; L92-Q108 HydrophobicContact CD1-CG 3.78Å; L92-Q108 HydrophobicContact CD2-CG 4.02Å
93	K	96.1	Very high	95.9	Very high	165 Å²	165	51 Å²	51	72%	0.717	23%	0.227	S	C	*	.	H	α-helix	trans	-79.2	-48.7	175.6	-178.6	-177.2	174.7	-173.9	0	111.6	R89 T90 L91	R89-K93 WeakPolarHBondContact O-CB 3.25Å; R89-K93 PolarHBondContact O-N 2.67Å; T90-K93 WeakPolarHBondContact O-CB 3.12Å; T90-K93 PolarHBondContact O-N 3.18Å; T90-K93 VanDerWaalsContact O-N 3.14Å; L91-K93 PolarHBondContact O-N 3.16Å
94	L	95.3	Very high	95.9	Very high	82 Å²	82	54.3 Å²	54.3	43%	0.429	24%	0.239	S	C	.	.	H	α-helix	trans	-90.9	-37.6	-169.7	-61	-179.2	0	0	0	113.3	T90 L91 H97 F148	T90-L94 HydrophobicContact CG2-CD1 3.75Å; T90-L94 HydrophobicContact CG2-CG 4.27Å; T90-L94 PolarHBondContact O-N 2.93Å; L91-L94 PolarHBondContact O-N 3.13Å; L94-H97 PolarHBondContact O-CE1 2.03Å; L94-H97 PolarHBondContact O-ND1 3.31Å; L94-F148 HydrophobicContact CD1-CD2 4.29Å
95	Y	95.2	Very high	95.8	Very high	44 Å²	44	59.7 Å²	59.7	17%	0.173	26%	0.263	C	S	.	.	S	Bend	trans	-115.2	14	-167.9	-61.1	-80.1	0	0	0	113.8	L91 H97 K98 M99 F148 I365 E366	L91-Y95 HydrophobicContact CD2-CD2 3.91Å; L91-Y95 HydrophobicContact CD2-CE2 4.42Å; L91-Y95 WeakPolarHBondContact O-CA 3.47Å; L91-Y95 PolarHBondContact O-N 3.2Å; Y95-H97 PolarHBondContact O-N 3.32Å; Y95-K98 HydrophobicContact CD1-CD 4.04Å; Y95-K98 PolarHBondContact O-N 3.37Å; Y95-M99 PolarHBondContact O-N 3.38Å; Y95-F148 HydrophobicContact CE2-CD2 4.34Å; Y95-F148 HydrophobicContact CE2-CE2 4.22Å; Y95-I365 HydrophobicContact CG-CG2 4.17Å; Y95-E366 HydrophobicContact CD2-CG 4.3Å; Y95-E366 HydrophobicContact CE1-CB 4.35Å; Y95-E366 HydrophobicContact CE1-CG 4.12Å; Y95-E366 HydrophobicContact CE2-CG 3.6Å; Y95-E366 VanDerWaalsContact CE2-OE1 3.26Å; Y95-E366 WeakPolarHBondContact CE2-OE1 3Å; Y95-E366 VanDerWaalsContact CZ-CG 3.48Å; Y95-E366 VanDerWaalsContact CZ-OE1 3.28Å; Y95-E366 WeakPolarHBondContact OH-CG 3.02Å; Y95-E366 PolarHBondContact OH-OE1 3.08Å
96	R	94.9	Very high	95.8	Very high	130 Å²	130	61.5 Å²	61.5	49%	0.491	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-29.1	178.2	-161.4	179.6	171.4	135.8	-1.9	114.8	L92 R104	L92-R96 WeakPolarHBondContact O-CB 3.33Å; R96-R104 WeakPolarHBondContact O-CD 3.33Å; R96-R104 PolarHBondContact O-NH1 3.48Å
97	H	93	Very high	95.9	Very high	148 Å²	148	61.5 Å²	61.5	69%	0.685	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-23.1	-178.1	61.9	-81.7	0	0	0	112.4	L94 Y95	L94-H97 PolarHBondContact O-CE1 2.03Å; L94-H97 PolarHBondContact O-ND1 3.31Å; Y95-H97 PolarHBondContact O-N 3.32Å
98	K	88.8	Confident	95.9	Very high	83 Å²	83	64.3 Å²	64.3	36%	0.361	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-31.4	176	-62	-161.8	179.4	-170.6	0	113.1	Y95 E366 H368	Y95-K98 HydrophobicContact CD1-CD 4.04Å; Y95-K98 PolarHBondContact O-N 3.37Å; K98-E366 PolarHBondContact NZ-O 3.14Å; K98-H368 PolarHBondContact O-CD2 3.16Å
99	M	92.3	Very high	96	Very high	9 Å²	9	68.5 Å²	68.5	4%	0.044	30%	0.304	C	S	.	.	S	Bend	trans	-79.2	136.7	-171.8	-68.7	-176.9	-83.9	0	0	114	L91 L92 Y95 I103 R104 M107 I365	L91-M99 WeakPolarHBondContact O-CE 2.96Å; L92-M99 HydrophobicContact CD2-CE 4.13Å; Y95-M99 PolarHBondContact O-N 3.38Å; M99-I103 HydrophobicContact SD-CG2 4.21Å; M99-R104 HydrophobicContact CB-CG 3.46Å; M99-R104 VanDerWaalsContact CB-CG 3.46Å; M99-R104 HydrophobicContact CE-CG 4.25Å; M99-R104 HydrophobicContact CG-CG 4.48Å; M99-R104 WeakPolarHBondContact O-CD 3.22Å; M99-R104 PolarHBondContact O-NE 2.97Å; M99-R104 HydrophobicContact SD-CG 4.32Å; M99-M107 HydrophobicContact CE-SD 4.23Å; M99-M107 HydrophobicContact SD-CE 3.97Å; M99-M107 HydrophobicContact SD-SD 3.47Å; M99-I365 HydrophobicContact CE-CG2 4.37Å; M99-I365 HydrophobicContact CG-CD1 3.7Å; M99-I365 HydrophobicContact CG-CG2 3.73Å; M99-I365 HydrophobicContact SD-CD1 3.7Å; M99-I365 HydrophobicContact SD-CG1 4.28Å; M99-I365 HydrophobicContact SD-CG2 3.77Å
100	P	93.9	Very high	96	Very high	43 Å²	43	65.5 Å²	65.5	28%	0.279	29%	0.293	S	S	.	.			trans	-52.7	154.1	166.9	-28.2	37.3	0	0	0	113.5	W48 D102 I103 R104	W48-P100 HydrophobicContact CH2-CG 4.17Å; W48-P100 HydrophobicContact CZ3-CG 3.93Å; P100-D102 VanDerWaalsContact C-N 3.34Å; P100-D102 WeakPolarHBondContact CB-OD1 3.5Å; P100-D102 PolarHBondContact O-N 3.12Å; P100-I103 HydrophobicContact CB-CG1 4.27Å; P100-I103 HydrophobicContact CG-CG1 4.45Å; P100-I103 PolarHBondContact O-N 2.98Å; P100-R104 WeakPolarHBondContact O-CG 3.49Å; P100-R104 PolarHBondContact O-N 3.36Å
101	R	96	Very high	96.1	Very high	173 Å²	173	67.4 Å²	67.4	65%	0.653	30%	0.301	S	S	*	.	H	α-helix	trans	-63.6	-39.8	-172.3	-176	-179.3	-177.6	-168.2	0.3	112.7	K105	R101-K105 WeakPolarHBondContact O-CG 3.38Å; R101-K105 PolarHBondContact O-N 2.67Å; R101-K105 VanDerWaalsContact O-N 3.08Å
102	D	95.7	Very high	96.2	Very high	88 Å²	88	73 Å²	73	47%	0.471	33%	0.328	S	S	.	.	H	α-helix	trans	-63.3	-52	177	57.9	-60.1	0	0	0	111.4	P100 R104 K105 R106	P100-D102 VanDerWaalsContact C-N 3.34Å; P100-D102 WeakPolarHBondContact CB-OD1 3.5Å; P100-D102 PolarHBondContact O-N 3.12Å; D102-R104 VanDerWaalsContact C-N 3.31Å; D102-R104 PolarHBondContact O-N 3.02Å; D102-K105 PolarHBondContact O-N 2.85Å; D102-K105 VanDerWaalsContact O-N 3.16Å; D102-R106 WeakPolarHBondContact O-CB 3.44Å; D102-R106 PolarHBondContact O-N 3.11Å
103	I	96.7	Very high	96.3	Very high	6 Å²	6	77 Å²	77	3%	0.031	34%	0.344	C	S	.	.	H	α-helix	trans	-55.1	-46	174.3	-61.5	-58.6	0	0	0	111.3	W48 T52 M56 M99 P100 K105 R106 M107 I365	W48-I103 HydrophobicContact CH2-CG1 4.05Å; W48-I103 HydrophobicContact CZ3-CG1 4.18Å; T52-I103 HydrophobicContact CG2-CD1 4.07Å; M56-I103 HydrophobicContact SD-CD1 4.07Å; M56-I103 HydrophobicContact SD-CG2 4.11Å; M99-I103 HydrophobicContact SD-CG2 4.21Å; P100-I103 HydrophobicContact CB-CG1 4.27Å; P100-I103 HydrophobicContact CG-CG1 4.45Å; P100-I103 PolarHBondContact O-N 2.98Å; I103-K105 PolarHBondContact O-N 3.31Å; I103-R106 PolarHBondContact O-N 2.81Å; I103-M107 HydrophobicContact CG2-CE 4.05Å; I103-M107 HydrophobicContact CG2-CG 4.49Å; I103-M107 HydrophobicContact CG2-SD 4.48Å; I103-M107 WeakPolarHBondContact O-CB 2.98Å; I103-M107 WeakPolarHBondContact O-CG 3.26Å; I103-M107 PolarHBondContact O-N 2.82Å; I103-I365 HydrophobicContact CG2-CD1 4.1Å
104	R	97.1	Very high	96.4	Very high	69 Å²	69	69.2 Å²	69.2	26%	0.26	31%	0.31	S	S	.	.	H	α-helix	trans	-60.2	-46.3	177.6	-69.6	-176.8	-57.4	174.1	3.2	112.9	R96 M99 P100 D102 R106 M107 Q108	R96-R104 WeakPolarHBondContact O-CD 3.33Å; R96-R104 PolarHBondContact O-NH1 3.48Å; M99-R104 HydrophobicContact CB-CG 3.46Å; M99-R104 VanDerWaalsContact CB-CG 3.46Å; M99-R104 HydrophobicContact CE-CG 4.25Å; M99-R104 HydrophobicContact CG-CG 4.48Å; M99-R104 WeakPolarHBondContact O-CD 3.22Å; M99-R104 PolarHBondContact O-NE 2.97Å; M99-R104 HydrophobicContact SD-CG 4.32Å; P100-R104 WeakPolarHBondContact O-CG 3.49Å; P100-R104 PolarHBondContact O-N 3.36Å; D102-R104 VanDerWaalsContact C-N 3.31Å; D102-R104 PolarHBondContact O-N 3.02Å; R104-R106 VanDerWaalsContact C-N 3.29Å; R104-R106 PolarHBondContact O-N 3.28Å; R104-M107 PolarHBondContact O-N 3.36Å; R104-Q108 VanDerWaalsContact O-CG 3.25Å; R104-Q108 WeakPolarHBondContact O-CG 3.34Å; R104-Q108 PolarHBondContact O-N 3.29Å
105	K	98.2	Very high	96.5	Very high	114 Å²	114	70.8 Å²	70.8	50%	0.496	31%	0.314	S	S	.	.	H	α-helix	trans	-62.2	-41.3	178.3	-77.9	179.3	175.3	-173.6	0	111.3	R101 D102 I103 Q108 L109	R101-K105 WeakPolarHBondContact O-CG 3.38Å; R101-K105 PolarHBondContact O-N 2.67Å; R101-K105 VanDerWaalsContact O-N 3.08Å; D102-K105 PolarHBondContact O-N 2.85Å; D102-K105 VanDerWaalsContact O-N 3.16Å; I103-K105 PolarHBondContact O-N 3.31Å; K105-Q108 PolarHBondContact O-N 3.21Å; K105-L109 PolarHBondContact O-N 2.87Å
106	R	98.2	Very high	96.7	Very high	48 Å²	48	73.4 Å²	73.4	18%	0.181	33%	0.33	C	S	.	.	H	α-helix	trans	-64.1	-45.5	179.3	-166.5	-178.7	175.1	-178.1	2.2	111.1	S53 M56 D57 E60 D102 I103 R104 Q108 L109 L110	S53-R106 PolarHBondContact O-NH1 3.39Å; S53-R106 PolarHBondContact OG-NH1 2.95Å; S53-R106 VanDerWaalsContact OG-NH1 3.12Å; M56-R106 VanDerWaalsContact CB-CZ 3.43Å; M56-R106 HydrophobicContact CE-CB 3.7Å; M56-R106 HydrophobicContact CE-CG 3.49Å; M56-R106 VanDerWaalsContact CE-CG 3.49Å; M56-R106 HydrophobicContact SD-CG 4.35Å; D57-R106 VanDerWaalsContact CA-NH2 3.3Å; D57-R106 VanDerWaalsContact CG-NH2 3.32Å; D57-R106 VanDerWaalsContact N-NH2 3.11Å; D57-R106 IonicContact OD1-CZ 2.72Å; D57-R106 IonicContact OD1-NH1 3.26Å; D57-R106 IonicContact OD1-NH2 2.78Å; D57-R106 PolarHBondContact OD1-NH2 3.32Å; E60-R106 VanDerWaalsContact CD-NE 3.29Å; E60-R106 VanDerWaalsContact CD-NH2 3.28Å; E60-R106 WeakPolarHBondContact OE1-CG 3.4Å; E60-R106 IonicContact OE1-CZ 3.95Å; E60-R106 IonicContact OE1-NE 3.64Å; E60-R106 PolarHBondContact OE1-NE 3.42Å; E60-R106 IonicContact OE1-NH2 3.52Å; E60-R106 IonicContact OE2-CZ 3.42Å; E60-R106 IonicContact OE2-NE 3.46Å; E60-R106 PolarHBondContact OE2-NE 3.38Å; E60-R106 IonicContact OE2-NH2 3.49Å; E60-R106 PolarHBondContact OE2-NH2 3.31Å; D102-R106 WeakPolarHBondContact O-CB 3.44Å; D102-R106 PolarHBondContact O-N 3.11Å; I103-R106 PolarHBondContact O-N 2.81Å; R104-R106 VanDerWaalsContact C-N 3.29Å; R104-R106 PolarHBondContact O-N 3.28Å; R106-Q108 PolarHBondContact O-N 2.91Å; R106-L109 PolarHBondContact O-N 3.45Å; R106-L110 WeakPolarHBondContact O-CB 3.31Å; R106-L110 PolarHBondContact O-N 3.26Å
107	M	98.4	Very high	96.9	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.6	-44.2	173.3	-79.3	-166.5	177.7	0	0	112.8	M56 I88 L91 L92 M99 I103 R104 L110 Q111 L361 I365	M56-M107 HydrophobicContact CE-CB 4.33Å; M56-M107 HydrophobicContact CE-CG 3.53Å; M56-M107 HydrophobicContact SD-CE 4.48Å; M56-M107 HydrophobicContact SD-CG 4.38Å; I88-M107 HydrophobicContact CG2-CB 3.87Å; I88-M107 HydrophobicContact CG2-CG 4.34Å; I88-M107 WeakPolarHBondContact CG2-O 3.45Å; L91-M107 HydrophobicContact CB-SD 4.45Å; L91-M107 HydrophobicContact CD1-CE 4.19Å; L92-M107 HydrophobicContact CD1-CB 4.24Å; L92-M107 HydrophobicContact CD2-CB 3.98Å; L92-M107 HydrophobicContact CG-CB 4.2Å; M99-M107 HydrophobicContact CE-SD 4.23Å; M99-M107 HydrophobicContact SD-CE 3.97Å; M99-M107 HydrophobicContact SD-SD 3.47Å; I103-M107 HydrophobicContact CG2-CE 4.05Å; I103-M107 HydrophobicContact CG2-CG 4.49Å; I103-M107 HydrophobicContact CG2-SD 4.48Å; I103-M107 WeakPolarHBondContact O-CB 2.98Å; I103-M107 WeakPolarHBondContact O-CG 3.26Å; I103-M107 PolarHBondContact O-N 2.82Å; R104-M107 PolarHBondContact O-N 3.36Å; M107-L110 PolarHBondContact O-N 3.22Å; M107-Q111 WeakPolarHBondContact O-CB 3.35Å; M107-Q111 PolarHBondContact O-N 3.26Å; M107-L361 HydrophobicContact CE-CD1 3.55Å; M107-L361 HydrophobicContact CE-CD2 3.87Å; M107-L361 HydrophobicContact CE-CG 3.78Å; M107-I365 HydrophobicContact CE-CD1 3.72Å; M107-I365 HydrophobicContact CE-CG1 3.7Å
108	Q	98.5	Very high	97.1	Very high	62 Å²	62	60.3 Å²	60.3	29%	0.29	28%	0.275	S	S	.	.	H	α-helix	trans	-61	-47.3	177.6	-73.3	173.5	-42.5	0	0	111.8	L92 R104 K105 R106 L110 Q111 E112	L92-Q108 HydrophobicContact CD1-CG 3.78Å; L92-Q108 HydrophobicContact CD2-CG 4.02Å; R104-Q108 VanDerWaalsContact O-CG 3.25Å; R104-Q108 WeakPolarHBondContact O-CG 3.34Å; R104-Q108 PolarHBondContact O-N 3.29Å; K105-Q108 PolarHBondContact O-N 3.21Å; R106-Q108 PolarHBondContact O-N 2.91Å; Q108-L110 VanDerWaalsContact C-N 3.35Å; Q108-L110 PolarHBondContact O-N 3.1Å; Q108-Q111 WeakPolarHBondContact O-CB 2.88Å; Q108-Q111 PolarHBondContact O-N 3.37Å; Q108-E112 WeakPolarHBondContact O-CG 3.41Å; Q108-E112 PolarHBondContact O-N 3.3Å; Q108-E112 VanDerWaalsContact O-N 3.08Å
109	L	98.6	Very high	97.5	Very high	88 Å²	88	60.4 Å²	60.4	46%	0.461	28%	0.279	S	S	.	.	H	α-helix	trans	-63.8	-41.1	178	179.3	62.4	0	0	0	112.1	K105 R106 E112 K113	K105-L109 PolarHBondContact O-N 2.87Å; R106-L109 PolarHBondContact O-N 3.45Å; L109-E112 PolarHBondContact O-N 3.37Å; L109-K113 WeakPolarHBondContact O-CG 3.47Å; L109-K113 PolarHBondContact O-N 2.97Å; L109-K113 VanDerWaalsContact O-N 3.14Å
110	L	98.7	Very high	97.8	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-65.1	-42.2	177.2	176.7	55.8	0	0	0	111.6	I59 E60 T63 I88 R106 M107 Q108 E112 K113 L114	I59-L110 HydrophobicContact CB-CD2 4.3Å; I59-L110 HydrophobicContact CG2-CD1 4.28Å; I59-L110 HydrophobicContact CG2-CD2 3.7Å; I59-L110 HydrophobicContact CG2-CG 4.44Å; E60-L110 HydrophobicContact CG-CD1 3.93Å; E60-L110 HydrophobicContact CG-CD2 4.04Å; E60-L110 HydrophobicContact CG-CG 4.42Å; T63-L110 HydrophobicContact CG2-CD1 4.25Å; I88-L110 HydrophobicContact CD1-CB 4.33Å; I88-L110 HydrophobicContact CD1-CD2 3.53Å; I88-L110 HydrophobicContact CD1-CG 3.75Å; R106-L110 WeakPolarHBondContact O-CB 3.31Å; R106-L110 PolarHBondContact O-N 3.26Å; M107-L110 PolarHBondContact O-N 3.22Å; Q108-L110 VanDerWaalsContact C-N 3.35Å; Q108-L110 PolarHBondContact O-N 3.1Å; L110-E112 VanDerWaalsContact C-N 3.32Å; L110-E112 PolarHBondContact O-N 2.68Å; L110-K113 PolarHBondContact O-N 3.43Å; L110-L114 HydrophobicContact CD1-CD1 4.03Å; L110-L114 HydrophobicContact CD1-CG 4.11Å; L110-L114 HydrophobicContact CG-CD1 3.92Å; L110-L114 HydrophobicContact CG-CG 4.47Å; L110-L114 WeakPolarHBondContact O-CG 3.42Å; L110-L114 PolarHBondContact O-N 3.42Å
111	Q	98.3	Very high	98	Very high	45 Å²	45	60.8 Å²	60.8	21%	0.21	28%	0.276	C	S	.	.	H	α-helix	trans	-57.2	-44.9	174.1	-172.2	-163.9	29.6	0	0	111.6	E85 I88 R89 M107 Q108 K113 L114 K115	E85-Q111 HydrophobicContact CG-CG 4.39Å; I88-Q111 HydrophobicContact CG2-CB 3.91Å; I88-Q111 HydrophobicContact CG2-CG 4.43Å; R89-Q111 VanDerWaalsContact CB-NE2 3.28Å; M107-Q111 WeakPolarHBondContact O-CB 3.35Å; M107-Q111 PolarHBondContact O-N 3.26Å; Q108-Q111 WeakPolarHBondContact O-CB 2.88Å; Q108-Q111 PolarHBondContact O-N 3.37Å; Q111-K113 VanDerWaalsContact C-N 3.34Å; Q111-K113 PolarHBondContact O-N 2.9Å; Q111-L114 PolarHBondContact O-N 3.4Å; Q111-K115 WeakPolarHBondContact O-CB 3.47Å; Q111-K115 PolarHBondContact O-N 3.1Å
112	E	98.5	Very high	98	Very high	117 Å²	117	55 Å²	55	55%	0.547	26%	0.258	S	S	.	.	H	α-helix	trans	-61.2	-42.5	177.6	-72.4	174.3	-177.2	0	0	112	Q108 L109 L110 K115 I116	Q108-E112 WeakPolarHBondContact O-CG 3.41Å; Q108-E112 PolarHBondContact O-N 3.3Å; Q108-E112 VanDerWaalsContact O-N 3.08Å; L109-E112 PolarHBondContact O-N 3.37Å; L110-E112 VanDerWaalsContact C-N 3.32Å; L110-E112 PolarHBondContact O-N 2.68Å; E112-K115 PolarHBondContact O-N 3.43Å; E112-I116 WeakPolarHBondContact O-CG1 3.49Å; E112-I116 PolarHBondContact O-N 3.16Å; E112-I116 VanDerWaalsContact O-N 3.16Å
113	K	98.8	Very high	98	Very high	103 Å²	103	55.5 Å²	55.5	45%	0.448	26%	0.259	S	S	.	.	H	α-helix	trans	-64.6	-45.3	176.4	-70.5	173.8	-179.8	176.4	0	112.1	T63 L109 L110 Q111 I116 L117	T63-K113 HydrophobicContact CG2-CB 4.3Å; L109-K113 WeakPolarHBondContact O-CG 3.47Å; L109-K113 PolarHBondContact O-N 2.97Å; L109-K113 VanDerWaalsContact O-N 3.14Å; L110-K113 PolarHBondContact O-N 3.43Å; Q111-K113 VanDerWaalsContact C-N 3.34Å; Q111-K113 PolarHBondContact O-N 2.9Å; K113-I116 PolarHBondContact O-N 2.88Å; K113-L117 WeakPolarHBondContact O-CB 3.21Å; K113-L117 PolarHBondContact O-N 2.06Å
114	L	98.7	Very high	98	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.6	-44.6	177.7	-74.4	164.6	0	0	0	111.1	T63 T81 V84 E85 I88 L110 Q111 I116 L117 N118 M354	T63-L114 HydrophobicContact CG2-CD2 3.81Å; T63-L114 HydrophobicContact CG2-CG 4.13Å; T81-L114 HydrophobicContact CG2-CD2 4.18Å; V84-L114 HydrophobicContact CB-CD1 4.06Å; V84-L114 HydrophobicContact CG1-CD1 3.5Å; V84-L114 VanDerWaalsContact CG1-CD1 3.5Å; E85-L114 HydrophobicContact CB-CB 4.09Å; E85-L114 HydrophobicContact CG-CB 4.42Å; I88-L114 HydrophobicContact CD1-CD1 4.08Å; L110-L114 HydrophobicContact CD1-CD1 4.03Å; L110-L114 HydrophobicContact CD1-CG 4.11Å; L110-L114 HydrophobicContact CG-CD1 3.92Å; L110-L114 HydrophobicContact CG-CG 4.47Å; L110-L114 WeakPolarHBondContact O-CG 3.42Å; L110-L114 PolarHBondContact O-N 3.42Å; Q111-L114 PolarHBondContact O-N 3.4Å; L114-I116 VanDerWaalsContact C-N 3.32Å; L114-I116 PolarHBondContact O-N 3.25Å; L114-L117 WeakPolarHBondContact O-CB 3.4Å; L114-L117 PolarHBondContact O-N 3.29Å; L114-L117 VanDerWaalsContact O-N 3.15Å; L114-N118 WeakPolarHBondContact O-CB 3.36Å; L114-N118 PolarHBondContact O-N 3.04Å; L114-N118 PolarHBondContact O-ND2 2.88Å; L114-M354 HydrophobicContact CD2-CE 4.05Å
115	K	98.4	Very high	97.9	Very high	115 Å²	115	52.8 Å²	52.8	50%	0.5	25%	0.25	S	S	.	.	H	α-helix	trans	-57.4	-43.8	176.3	-177.9	175.8	179.9	178.8	0	112.4	E85 Q111 E112 N119	E85-K115 WeakPolarHBondContact OE1-CB 3.32Å; Q111-K115 WeakPolarHBondContact O-CB 3.47Å; Q111-K115 PolarHBondContact O-N 3.1Å; E112-K115 PolarHBondContact O-N 3.43Å; K115-N119 WeakPolarHBondContact O-CB 2.96Å; K115-N119 PolarHBondContact O-N 2.72Å; K115-N119 PolarHBondContact O-ND2 3.38Å; K115-N119 VanDerWaalsContact O-ND2 3.14Å
116	I	98.5	Very high	97.7	Very high	99 Å²	99	52.4 Å²	52.4	51%	0.508	25%	0.25	S	C	.	.	H	α-helix	trans	-64.7	-45.1	176.9	-66.5	167.1	0	0	0	110.6	W67 E112 K113 L114 F120	W67-I116 HydrophobicContact CH2-CG2 3.74Å; W67-I116 HydrophobicContact CZ3-CG2 3.65Å; E112-I116 WeakPolarHBondContact O-CG1 3.49Å; E112-I116 PolarHBondContact O-N 3.16Å; E112-I116 VanDerWaalsContact O-N 3.16Å; K113-I116 PolarHBondContact O-N 2.88Å; L114-I116 VanDerWaalsContact C-N 3.32Å; L114-I116 PolarHBondContact O-N 3.25Å; I116-F120 PolarHBondContact O-N 3.31Å
117	L	98.6	Very high	97.5	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-48.4	177.4	176.5	62	0	0	0	111.8	T63 L66 W67 R70 Y78 T81 K113 L114 F120 G121	T63-L117 HydrophobicContact CG2-CD2 4.15Å; L66-L117 HydrophobicContact CB-CD2 3.94Å; W67-L117 HydrophobicContact CB-CD1 4.33Å; W67-L117 HydrophobicContact CE3-CB 4.31Å; W67-L117 HydrophobicContact CE3-CD1 3.99Å; R70-L117 HydrophobicContact CB-CD1 4.14Å; Y78-L117 HydrophobicContact CD1-CG 4.41Å; Y78-L117 HydrophobicContact CE1-CD1 3.72Å; Y78-L117 HydrophobicContact CE1-CG 3.89Å; Y78-L117 WeakPolarHBondContact CE1-O 3.32Å; T81-L117 HydrophobicContact CG2-CD2 3.85Å; K113-L117 WeakPolarHBondContact O-CB 3.21Å; K113-L117 PolarHBondContact O-N 2.06Å; L114-L117 WeakPolarHBondContact O-CB 3.4Å; L114-L117 PolarHBondContact O-N 3.29Å; L114-L117 VanDerWaalsContact O-N 3.15Å; L117-F120 WeakPolarHBondContact O-CB 3.47Å; L117-F120 PolarHBondContact O-N 2.96Å; L117-G121 PolarHBondContact O-N 3.36Å
118	N	98.4	Very high	97.2	Very high	3 Å²	3	61.7 Å²	61.7	2%	0.016	29%	0.293	C	S	.	.	H	α-helix	trans	-68	-41.8	-176.6	-66.2	-20.6	0	0	0	111.9	T81 T82 E85 L114 F120 G121 I122	T81-N118 WeakPolarHBondContact CB-OD1 3.34Å; T81-N118 PolarHBondContact O-ND2 3.31Å; T81-N118 VanDerWaalsContact O-ND2 3.16Å; T81-N118 PolarHBondContact OG1-OD1 3.29Å; T82-N118 WeakPolarHBondContact CA-ND2 3.46Å; E85-N118 PolarHBondContact OE2-ND2 2.91Å; L114-N118 WeakPolarHBondContact O-CB 3.36Å; L114-N118 PolarHBondContact O-N 3.04Å; L114-N118 PolarHBondContact O-ND2 2.88Å; N118-F120 VanDerWaalsContact C-N 3.31Å; N118-F120 PolarHBondContact O-N 3.45Å; N118-G121 WeakPolarHBondContact O-CA 3.29Å; N118-G121 PolarHBondContact O-N 3.47Å; N118-G121 VanDerWaalsContact O-N 3.07Å; N118-I122 WeakPolarHBondContact O-CG1 3.41Å; N118-I122 PolarHBondContact O-N 3.01Å
119	N	97.8	Very high	96.9	Very high	85 Å²	85	59.4 Å²	59.4	46%	0.455	28%	0.283	S	S	.	.	H	α-helix	trans	-60.8	-40.6	174.6	-74	-23.4	0	0	0	112	K115	K115-N119 WeakPolarHBondContact O-CB 2.96Å; K115-N119 PolarHBondContact O-N 2.72Å; K115-N119 PolarHBondContact O-ND2 3.38Å; K115-N119 VanDerWaalsContact O-ND2 3.14Å
120	F	97.9	Very high	96.6	Very high	59 Å²	59	59 Å²	59	26%	0.259	29%	0.286	S	S	.	.	H	α-helix	trans	-63.2	-45.3	172.1	176.8	-84.9	0	0	0	110.9	R70 M71 I116 L117 N118 I122 I123 N124	R70-F120 HydrophobicContact CB-CD1 3.86Å; R70-F120 HydrophobicContact CB-CE1 3.83Å; R70-F120 HydrophobicContact CG-CD1 3.88Å; R70-F120 HydrophobicContact CG-CE1 3.6Å; R70-F120 HydrophobicContact CG-CZ 4.08Å; M71-F120 HydrophobicContact SD-CE1 4.28Å; M71-F120 HydrophobicContact SD-CE2 4.3Å; M71-F120 HydrophobicContact SD-CZ 3.47Å; M71-F120 WeakPolarHBondContact SD-CZ 3.03Å; I116-F120 PolarHBondContact O-N 3.31Å; L117-F120 WeakPolarHBondContact O-CB 3.47Å; L117-F120 PolarHBondContact O-N 2.96Å; N118-F120 VanDerWaalsContact C-N 3.31Å; N118-F120 PolarHBondContact O-N 3.45Å; F120-I122 PolarHBondContact O-N 2.95Å; F120-I123 PolarHBondContact O-N 2.68Å; F120-N124 HydrophobicContact CD1-CB 4.28Å; F120-N124 HydrophobicContact CE1-CB 3.74Å; F120-N124 HydrophobicContact CZ-CB 4.15Å; F120-N124 WeakPolarHBondContact O-CB 3.44Å; F120-N124 PolarHBondContact O-N 2.99Å
121	G	97.5	Very high	96.2	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-55.4	-50.2	-179.7	0	0	0	0	0	113.3	Y78 L117 N118 I123 N124 I125	Y78-G121 VanDerWaalsContact CE2-CA 3.41Å; L117-G121 PolarHBondContact O-N 3.36Å; N118-G121 WeakPolarHBondContact O-CA 3.29Å; N118-G121 PolarHBondContact O-N 3.47Å; N118-G121 VanDerWaalsContact O-N 3.07Å; G121-I123 VanDerWaalsContact C-N 3.33Å; G121-I123 PolarHBondContact O-N 3.45Å; G121-N124 PolarHBondContact O-N 3.37Å; G121-N124 VanDerWaalsContact O-N 3.09Å; G121-I125 WeakPolarHBondContact O-CB 3Å; G121-I125 VanDerWaalsContact O-CG1 3.27Å; G121-I125 WeakPolarHBondContact O-CG1 3.17Å; G121-I125 PolarHBondContact O-N 3.44Å
122	I	96.8	Very high	95.9	Very high	52 Å²	52	61.3 Å²	61.3	27%	0.267	30%	0.295	S	S	.	.	H	α-helix	trans	-53.4	-50.2	178.7	-68.5	167.7	0	0	0	111	N118 F120 N124 E126 F133 L140	N118-I122 WeakPolarHBondContact O-CG1 3.41Å; N118-I122 PolarHBondContact O-N 3.01Å; F120-I122 PolarHBondContact O-N 2.95Å; I122-N124 VanDerWaalsContact C-N 3.32Å; I122-N124 PolarHBondContact O-N 3.16Å; I122-E126 WeakPolarHBondContact O-CB 3.44Å; I122-E126 PolarHBondContact O-N 3.42Å; I122-E126 VanDerWaalsContact O-N 3.13Å; I122-F133 HydrophobicContact CG2-CE2 4.21Å; I122-F133 HydrophobicContact CG2-CZ 4.02Å; I122-L140 HydrophobicContact CD1-CB 4.42Å; I122-L140 HydrophobicContact CG1-CB 4.02Å; I122-L140 HydrophobicContact CG1-CD1 4.19Å
123	I	95.5	Very high	95.7	Very high	99 Å²	99	57.5 Å²	57.5	51%	0.508	28%	0.277	S	S	.	.	H	α-helix	trans	-64.2	-38.3	-179.4	-62	168.7	0	0	0	111.5	F120 G121 K127	F120-I123 PolarHBondContact O-N 2.68Å; G121-I123 VanDerWaalsContact C-N 3.33Å; G121-I123 PolarHBondContact O-N 3.45Å; I123-K127 WeakPolarHBondContact O-CG 3.49Å
124	N	95.7	Very high	95.3	Very high	18 Å²	18	56 Å²	56	10%	0.096	28%	0.279	C	S	.	.	H	α-helix	trans	-73.8	-45.8	-177.3	-175.1	61	0	0	0	111.6	R70 F120 G121 I122 K127 Q128	R70-N124 PolarHBondContact O-ND2 3.39Å; F120-N124 HydrophobicContact CD1-CB 4.28Å; F120-N124 HydrophobicContact CE1-CB 3.74Å; F120-N124 HydrophobicContact CZ-CB 4.15Å; F120-N124 WeakPolarHBondContact O-CB 3.44Å; F120-N124 PolarHBondContact O-N 2.99Å; G121-N124 PolarHBondContact O-N 3.37Å; G121-N124 VanDerWaalsContact O-N 3.09Å; I122-N124 VanDerWaalsContact C-N 3.32Å; I122-N124 PolarHBondContact O-N 3.16Å; N124-K127 PolarHBondContact O-N 3.27Å; N124-Q128 VanDerWaalsContact ND2-CD 3.27Å; N124-Q128 PolarHBondContact ND2-NE2 2.91Å; N124-Q128 PolarHBondContact ND2-OE1 3.45Å; N124-Q128 WeakPolarHBondContact O-CG 3.41Å; N124-Q128 PolarHBondContact O-N 3.1Å; N124-Q128 PolarHBondContact OD1-NE2 3.41Å; N124-Q128 VanDerWaalsContact OD1-NE2 3.13Å
125	I	95.1	Very high	94.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-68	-39.4	-177.7	-66.2	-52.1	0	0	0	112.3	V73 L75 Y78 G121 K127 Q128 T129 F133	V73-I125 WeakPolarHBondContact O-CD1 3.24Å; L75-I125 HydrophobicContact CB-CG2 3.64Å; L75-I125 HydrophobicContact CD1-CG2 3.86Å; L75-I125 HydrophobicContact CG-CG2 3.97Å; Y78-I125 HydrophobicContact CD2-CD1 4.03Å; Y78-I125 HydrophobicContact CD2-CG1 3.65Å; Y78-I125 HydrophobicContact CE2-CD1 4.07Å; Y78-I125 HydrophobicContact CE2-CG1 3.94Å; G121-I125 WeakPolarHBondContact O-CB 3Å; G121-I125 VanDerWaalsContact O-CG1 3.27Å; G121-I125 WeakPolarHBondContact O-CG1 3.17Å; G121-I125 PolarHBondContact O-N 3.44Å; I125-K127 PolarHBondContact O-N 2.97Å; I125-Q128 PolarHBondContact O-N 3.48Å; I125-T129 PolarHBondContact O-N 3.09Å; I125-T129 PolarHBondContact O-OG1 2.71Å; I125-F133 HydrophobicContact CB-CD2 4.37Å; I125-F133 HydrophobicContact CG2-CB 4.34Å; I125-F133 HydrophobicContact CG2-CD2 3.81Å
126	E	95	Very high	94.7	Very high	106 Å²	106	51.1 Å²	51.1	50%	0.495	26%	0.258	S	S	.	.	H	α-helix	trans	-56.4	-33.9	175.1	-175.6	175	-160	0	0	111.7	I122 P130 F133	I122-E126 WeakPolarHBondContact O-CB 3.44Å; I122-E126 PolarHBondContact O-N 3.42Å; I122-E126 VanDerWaalsContact O-N 3.13Å; E126-P130 WeakPolarHBondContact O-CA 3.4Å; E126-P130 WeakPolarHBondContact O-CB 3.49Å; E126-F133 HydrophobicContact CB-CD1 3.81Å; E126-F133 HydrophobicContact CB-CD2 4.29Å; E126-F133 HydrophobicContact CB-CE1 3.83Å; E126-F133 HydrophobicContact CB-CE2 4.29Å; E126-F133 HydrophobicContact CB-CG 4.04Å; E126-F133 HydrophobicContact CB-CZ 4.07Å; E126-F133 HydrophobicContact CG-CD1 3.7Å; E126-F133 HydrophobicContact CG-CE1 3.74Å; E126-F133 HydrophobicContact CG-CG 4.38Å; E126-F133 HydrophobicContact CG-CZ 4.43Å
127	K	93.7	Very high	94.5	Very high	160 Å²	160	46.8 Å²	46.8	70%	0.696	24%	0.237	S	C	*	.	H	α-helix	trans	-81.2	-39.4	176.3	-65.3	175	-175.6	176.8	0	113.2	I123 N124 I125	I123-K127 WeakPolarHBondContact O-CG 3.49Å; N124-K127 PolarHBondContact O-N 3.27Å; I125-K127 PolarHBondContact O-N 2.97Å
128	Q	91.9	Very high	94.4	Very high	82 Å²	82	48.7 Å²	48.7	38%	0.383	25%	0.245	S	C	.	.	H	α-helix	trans	-73	-43.9	-175.7	-73.1	-176.1	0.4	0	0	112.4	M71 N124 I125	M71-Q128 PolarHBondContact O-NE2 3.31Å; N124-Q128 VanDerWaalsContact ND2-CD 3.27Å; N124-Q128 PolarHBondContact ND2-NE2 2.91Å; N124-Q128 PolarHBondContact ND2-OE1 3.45Å; N124-Q128 WeakPolarHBondContact O-CG 3.41Å; N124-Q128 PolarHBondContact O-N 3.1Å; N124-Q128 PolarHBondContact OD1-NE2 3.41Å; N124-Q128 VanDerWaalsContact OD1-NE2 3.13Å; I125-Q128 PolarHBondContact O-N 3.48Å
129	T	92.8	Very high	94.3	Very high	14 Å²	14	48.8 Å²	48.8	9%	0.086	25%	0.246	C	C	.	.			trans	-137.8	66.3	-174.5	55.5	0	0	0	0	109.8	I125 F131 Y132 F133 P322 Y325	I125-T129 PolarHBondContact O-N 3.09Å; I125-T129 PolarHBondContact O-OG1 2.71Å; T129-F131 VanDerWaalsContact C-N 3.27Å; T129-F131 PolarHBondContact O-N 3.42Å; T129-Y132 PolarHBondContact O-N 3.29Å; T129-F133 WeakPolarHBondContact O-CB 3.42Å; T129-F133 PolarHBondContact O-N 2.82Å; T129-P322 HydrophobicContact CG2-CB 4.1Å; T129-Y325 HydrophobicContact CG2-CD2 4.1Å
130	P	92.5	Very high	94.3	Very high	80 Å²	80	44.8 Å²	44.8	52%	0.519	23%	0.225	S	C	.	.	H	α-helix	trans	-59	-36.7	-173.2	21	-33	0	0	0	113	E126 S134	E126-P130 WeakPolarHBondContact O-CA 3.4Å; E126-P130 WeakPolarHBondContact O-CB 3.49Å; P130-S134 WeakPolarHBondContact O-CB 3.31Å; P130-S134 PolarHBondContact O-N 3.36Å
131	F	90.3	Very high	94.2	Very high	83 Å²	83	45.3 Å²	45.3	36%	0.364	23%	0.23	S	C	.	.	H	α-helix	trans	-64.1	-50.5	176.5	176	-100.1	0	0	0	111.8	T129 F133 S134 R135 H327	T129-F131 VanDerWaalsContact C-N 3.27Å; T129-F131 PolarHBondContact O-N 3.42Å; F131-F133 VanDerWaalsContact C-N 3.34Å; F131-F133 PolarHBondContact O-N 3.03Å; F131-S134 PolarHBondContact O-N 2.95Å; F131-S134 PolarHBondContact O-OG 2.91Å; F131-R135 VanDerWaalsContact CE1-NE 3.3Å; F131-R135 PolarHBondContact O-N 3.47Å; F131-H327 AromaticContact CD1-CD2 3.97Å; F131-H327 AromaticContact CD1-NE2 3.41Å; F131-H327 WeakPolarHBondContact CD1-NE2 3.34Å; F131-H327 AromaticContact CE1-CD2 3.64Å; F131-H327 AromaticContact CE1-CE1 3.26Å; F131-H327 WeakPolarHBondContact CE1-CE1 3.46Å; F131-H327 AromaticContact CE1-ND1 3.89Å; F131-H327 AromaticContact CE1-NE2 3.06Å; F131-H327 WeakPolarHBondContact CE1-NE2 3.47Å; F131-H327 AromaticContact CZ-CE1 3.27Å; F131-H327 WeakPolarHBondContact CZ-CE1 3.16Å; F131-H327 AromaticContact CZ-NE2 3.51Å
132	Y	91.2	Very high	93.8	Very high	11 Å²	11	46.6 Å²	46.6	4%	0.043	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-42.6	179.5	-170.2	-136.7	0	0	0	111.4	L75 D76 T129 S134 R135 V136 D175 Y325	L75-Y132 HydrophobicContact CB-CD1 3.75Å; L75-Y132 HydrophobicContact CB-CE1 3.68Å; L75-Y132 HydrophobicContact CD1-CD1 3.8Å; L75-Y132 HydrophobicContact CD1-CE1 4.06Å; L75-Y132 HydrophobicContact CD1-CG 4.37Å; L75-Y132 HydrophobicContact CD2-CE1 4Å; L75-Y132 HydrophobicContact CG-CD1 4.24Å; L75-Y132 HydrophobicContact CG-CE1 4.11Å; D76-Y132 WeakPolarHBondContact OD1-CE1 3.47Å; D76-Y132 PolarHBondContact OD1-OH 3.02Å; T129-Y132 PolarHBondContact O-N 3.29Å; Y132-S134 VanDerWaalsContact C-N 3.31Å; Y132-S134 PolarHBondContact O-N 3.39Å; Y132-R135 WeakPolarHBondContact O-CB 3.41Å; Y132-R135 PolarHBondContact O-N 2.95Å; Y132-V136 HydrophobicContact CD2-CG2 3.93Å; Y132-V136 HydrophobicContact CE1-CG2 4.28Å; Y132-V136 HydrophobicContact CE2-CG2 3.54Å; Y132-V136 HydrophobicContact CG-CG2 4.43Å; Y132-V136 PolarHBondContact O-N 2.95Å; Y132-D175 WeakPolarHBondContact CE2-OD2 3.36Å; Y132-Y325 HydrophobicContact CD1-CD2 4.45Å
133	F	93.9	Very high	93.6	Very high	38 Å²	38	50.3 Å²	50.3	17%	0.167	26%	0.255	C	S	.	.	H	α-helix	trans	-58.4	-40	174	-173.9	-97	0	0	0	112.5	L75 I122 I125 E126 T129 F131 R135 G137 L140	L75-F133 HydrophobicContact CD1-CB 4.45Å; L75-F133 HydrophobicContact CD1-CD2 4.34Å; I122-F133 HydrophobicContact CG2-CE2 4.21Å; I122-F133 HydrophobicContact CG2-CZ 4.02Å; I125-F133 HydrophobicContact CB-CD2 4.37Å; I125-F133 HydrophobicContact CG2-CB 4.34Å; I125-F133 HydrophobicContact CG2-CD2 3.81Å; E126-F133 HydrophobicContact CB-CD1 3.81Å; E126-F133 HydrophobicContact CB-CD2 4.29Å; E126-F133 HydrophobicContact CB-CE1 3.83Å; E126-F133 HydrophobicContact CB-CE2 4.29Å; E126-F133 HydrophobicContact CB-CG 4.04Å; E126-F133 HydrophobicContact CB-CZ 4.07Å; E126-F133 HydrophobicContact CG-CD1 3.7Å; E126-F133 HydrophobicContact CG-CE1 3.74Å; E126-F133 HydrophobicContact CG-CG 4.38Å; E126-F133 HydrophobicContact CG-CZ 4.43Å; T129-F133 WeakPolarHBondContact O-CB 3.42Å; T129-F133 PolarHBondContact O-N 2.82Å; F131-F133 VanDerWaalsContact C-N 3.34Å; F131-F133 PolarHBondContact O-N 3.03Å; F133-R135 PolarHBondContact O-N 2.86Å; F133-R135 VanDerWaalsContact O-N 3.13Å; F133-G137 WeakPolarHBondContact O-CA 3.37Å; F133-G137 PolarHBondContact O-N 2.96Å; F133-L140 HydrophobicContact CE2-CD1 4.34Å
134	S	91.6	Very high	93.6	Very high	70 Å²	70	46.4 Å²	46.4	49%	0.49	24%	0.235	S	C	.	.	H	α-helix	trans	-64.1	-17.2	177.2	79.4	0	0	0	0	114.3	P130 F131 Y132	P130-S134 WeakPolarHBondContact O-CB 3.31Å; P130-S134 PolarHBondContact O-N 3.36Å; F131-S134 PolarHBondContact O-N 2.95Å; F131-S134 PolarHBondContact O-OG 2.91Å; Y132-S134 VanDerWaalsContact C-N 3.31Å; Y132-S134 PolarHBondContact O-N 3.39Å
135	R	89.7	Confident	93.6	Very high	12 Å²	12	46.1 Å²	46.1	5%	0.045	23%	0.232	C	C	.	.	H	α-helix	trans	-92	-53.9	179.5	-68.9	-179.8	169.6	-140.4	-15.5	112.3	F131 Y132 F133 Y172 G326	F131-R135 VanDerWaalsContact CE1-NE 3.3Å; F131-R135 PolarHBondContact O-N 3.47Å; Y132-R135 WeakPolarHBondContact O-CB 3.41Å; Y132-R135 PolarHBondContact O-N 2.95Å; F133-R135 PolarHBondContact O-N 2.86Å; F133-R135 VanDerWaalsContact O-N 3.13Å; R135-Y172 VanDerWaalsContact CZ-CE2 3.44Å; R135-Y172 VanDerWaalsContact NH2-CZ 3.26Å; R135-Y172 PolarHBondContact NH2-OH 3.16Å; R135-G326 PolarHBondContact NH1-O 3.24Å
136	V	93.5	Very high	93.3	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.012	24%	0.244	C	C	.	.	H	α-helix	trans	-125.1	3.2	-167.7	-67.3	0	0	0	0	113.4	L75 Y132 F138 L139 D175	L75-V136 HydrophobicContact CD1-CG2 3.9Å; L75-V136 HydrophobicContact CD2-CG2 3.87Å; Y132-V136 HydrophobicContact CD2-CG2 3.93Å; Y132-V136 HydrophobicContact CE1-CG2 4.28Å; Y132-V136 HydrophobicContact CE2-CG2 3.54Å; Y132-V136 HydrophobicContact CG-CG2 4.43Å; Y132-V136 PolarHBondContact O-N 2.95Å; V136-F138 PolarHBondContact O-N 3.34Å; V136-F138 VanDerWaalsContact O-N 3.09Å; V136-L139 HydrophobicContact CB-CD1 3.93Å; V136-L139 HydrophobicContact CB-CG 4.48Å; V136-L139 HydrophobicContact CG1-CD1 4.37Å; V136-L139 VanDerWaalsContact O-CB 3.28Å; V136-L139 WeakPolarHBondContact O-CB 3.06Å; V136-L139 WeakPolarHBondContact O-CG 3.21Å; V136-L139 PolarHBondContact O-N 3.07Å; V136-D175 HydrophobicContact CG1-CB 3.69Å
137	G	95.5	Very high	93.1	Very high	7 Å²	7	46 Å²	46	7%	0.072	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-60	-22.2	177.3	0	0	0	0	0	114	F133 L139 L140	F133-G137 WeakPolarHBondContact O-CA 3.37Å; F133-G137 PolarHBondContact O-N 2.96Å; G137-L139 PolarHBondContact O-N 2.91Å; G137-L140 WeakPolarHBondContact O-CB 3.45Å; G137-L140 PolarHBondContact O-N 3.43Å; G137-L140 VanDerWaalsContact O-N 3.11Å
138	F	95.9	Very high	93.1	Very high	41 Å²	41	40.1 Å²	40.1	18%	0.18	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-62.8	-24.1	174	79.7	-88.7	0	0	0	113.2	V136 L140 N141 L144 L178 L182 I219	V136-F138 PolarHBondContact O-N 3.34Å; V136-F138 VanDerWaalsContact O-N 3.09Å; F138-L140 PolarHBondContact O-N 3.12Å; F138-N141 WeakPolarHBondContact O-CB 3.24Å; F138-N141 PolarHBondContact O-N 3.26Å; F138-N141 VanDerWaalsContact O-N 3.15Å; F138-L144 HydrophobicContact CD2-CD2 4.34Å; F138-L144 HydrophobicContact CE2-CD2 4.28Å; F138-L178 HydrophobicContact CE1-CB 4.46Å; F138-L178 HydrophobicContact CZ-CB 4.15Å; F138-L178 WeakPolarHBondContact CZ-O 3.22Å; F138-L182 HydrophobicContact CB-CD1 4.07Å; F138-L182 HydrophobicContact CB-CD2 4.14Å; F138-L182 HydrophobicContact CD1-CD1 3.76Å; F138-L182 HydrophobicContact CD1-CD2 4.39Å; F138-L182 HydrophobicContact CD1-CG 4.26Å; F138-L182 HydrophobicContact CD2-CD2 3.74Å; F138-L182 HydrophobicContact CD2-CG 4.4Å; F138-L182 HydrophobicContact CE1-CD1 4.33Å; F138-L182 HydrophobicContact CE1-CG 4.49Å; F138-L182 HydrophobicContact CE2-CD2 4.19Å; F138-L182 HydrophobicContact CG-CD1 3.89Å; F138-L182 HydrophobicContact CG-CD2 3.84Å; F138-L182 HydrophobicContact CG-CG 4.2Å; F138-I219 HydrophobicContact CE2-CG2 3.87Å; F138-I219 HydrophobicContact CZ-CG2 4.07Å
139	L	97.1	Very high	93.2	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.026	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-66.4	-20.4	176.2	-60.5	174.9	0	0	0	112.6	L79 V136 G137 N141 L144 W145 L178 F215 I219	L79-L139 HydrophobicContact CD1-CB 3.81Å; V136-L139 HydrophobicContact CB-CD1 3.93Å; V136-L139 HydrophobicContact CB-CG 4.48Å; V136-L139 HydrophobicContact CG1-CD1 4.37Å; V136-L139 VanDerWaalsContact O-CB 3.28Å; V136-L139 WeakPolarHBondContact O-CB 3.06Å; V136-L139 WeakPolarHBondContact O-CG 3.21Å; V136-L139 PolarHBondContact O-N 3.07Å; G137-L139 PolarHBondContact O-N 2.91Å; L139-N141 PolarHBondContact O-N 3.38Å; L139-L144 HydrophobicContact CD2-CD2 3.77Å; L139-W145 PolarHBondContact O-NE1 3.19Å; L139-L178 HydrophobicContact CD1-CD1 4.39Å; L139-F215 HydrophobicContact CD1-CE1 4.35Å; L139-F215 HydrophobicContact CD1-CZ 3.9Å; L139-F215 HydrophobicContact CD2-CZ 4.36Å; L139-I219 HydrophobicContact CD2-CD1 3.75Å; L139-I219 HydrophobicContact CD2-CG1 3.88Å; L139-I219 HydrophobicContact CD2-CG2 3.98Å
140	L	97.3	Very high	93.1	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-78.4	2.7	175.6	-55.4	-173.5	0	0	0	112.9	L75 L79 T82 I122 F133 G137 F138 P142	L75-L140 HydrophobicContact CG-CD1 4.27Å; L79-L140 HydrophobicContact CB-CD2 4.31Å; T82-L140 WeakPolarHBondContact CG2-O 3.31Å; I122-L140 HydrophobicContact CD1-CB 4.42Å; I122-L140 HydrophobicContact CG1-CB 4.02Å; I122-L140 HydrophobicContact CG1-CD1 4.19Å; F133-L140 HydrophobicContact CE2-CD1 4.34Å; G137-L140 WeakPolarHBondContact O-CB 3.45Å; G137-L140 PolarHBondContact O-N 3.43Å; G137-L140 VanDerWaalsContact O-N 3.11Å; F138-L140 PolarHBondContact O-N 3.12Å; L140-P142 VanDerWaalsContact O-CD 3.27Å; L140-P142 WeakPolarHBondContact O-CD 3.26Å
141	N	94.8	Very high	93	Very high	70 Å²	70	39.9 Å²	39.9	37%	0.374	21%	0.213	S	C	.	.			trans	-77	113.1	169.6	-178.8	-1	0	0	0	109.8	F138 L139 Q143 L144	F138-N141 WeakPolarHBondContact O-CB 3.24Å; F138-N141 PolarHBondContact O-N 3.26Å; F138-N141 VanDerWaalsContact O-N 3.15Å; L139-N141 PolarHBondContact O-N 3.38Å; N141-Q143 PolarHBondContact O-N 3.35Å; N141-Q143 VanDerWaalsContact O-N 3.1Å; N141-Q143 WeakPolarHBondContact OD1-CB 3.38Å; N141-Q143 PolarHBondContact OD1-N 3.1Å; N141-L144 VanDerWaalsContact O-CB 3.25Å; N141-L144 WeakPolarHBondContact O-CB 3.36Å; N141-L144 PolarHBondContact O-N 3.29Å
142	P	90.8	Very high	93.1	Very high	27 Å²	27	37.7 Å²	37.7	18%	0.175	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-64.7	-19.5	-178.5	28.6	-36.6	0	0	0	112.9	T82 E85 R89 L140 L144 W145	T82-P142 HydrophobicContact CG2-CB 3.99Å; E85-P142 HydrophobicContact CG-CB 4.44Å; R89-P142 PolarHBondContact NH2-O 3.35Å; L140-P142 VanDerWaalsContact O-CD 3.27Å; L140-P142 WeakPolarHBondContact O-CD 3.26Å; P142-L144 PolarHBondContact O-N 3.01Å; P142-W145 PolarHBondContact O-N 3.21Å; P142-W145 VanDerWaalsContact O-N 3.11Å
143	Q	92.4	Very high	93.2	Very high	130 Å²	130	41 Å²	41	61%	0.607	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-67.2	-23.2	174.4	-64.8	177.1	-21	0	0	113.1	N141 W145 D146	N141-Q143 PolarHBondContact O-N 3.35Å; N141-Q143 VanDerWaalsContact O-N 3.1Å; N141-Q143 WeakPolarHBondContact OD1-CB 3.38Å; N141-Q143 PolarHBondContact OD1-N 3.1Å; Q143-W145 PolarHBondContact O-N 3.04Å; Q143-D146 PolarHBondContact O-N 2.88Å
144	L	94.8	Very high	93.3	Very high	17 Å²	17	39.4 Å²	39.4	9%	0.089	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-64.4	-16.1	172.2	-167	69.4	0	0	0	111.7	F138 L139 N141 P142 I219 Q222	F138-L144 HydrophobicContact CD2-CD2 4.34Å; F138-L144 HydrophobicContact CE2-CD2 4.28Å; L139-L144 HydrophobicContact CD2-CD2 3.77Å; N141-L144 VanDerWaalsContact O-CB 3.25Å; N141-L144 WeakPolarHBondContact O-CB 3.36Å; N141-L144 PolarHBondContact O-N 3.29Å; P142-L144 PolarHBondContact O-N 3.01Å; L144-I219 HydrophobicContact CD2-CD1 4.05Å; L144-Q222 HydrophobicContact CD1-CB 3.63Å; L144-Q222 HydrophobicContact CG-CB 4Å; L144-Q222 WeakPolarHBondContact O-CB 3.41Å; L144-Q222 WeakPolarHBondContact O-CG 3.48Å; L144-Q222 PolarHBondContact O-NE2 2.73Å; L144-Q222 PolarHBondContact O-OE1 3.37Å
145	W	95.2	Very high	93.4	Very high	11 Å²	11	38.8 Å²	38.8	4%	0.042	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-116.3	15	-173.8	-56.7	101.7	0	0	0	113.1	L79 I83 G86 L139 P142 Q143 F215 M218 I219	L79-W145 HydrophobicContact CD1-CZ2 4.01Å; I83-W145 HydrophobicContact CB-CD2 4.44Å; I83-W145 HydrophobicContact CD1-CH2 3.76Å; I83-W145 HydrophobicContact CD1-CZ2 3.83Å; I83-W145 HydrophobicContact CD1-CZ3 4.13Å; I83-W145 HydrophobicContact CG1-CD2 3.6Å; I83-W145 VanDerWaalsContact CG1-CE2 3.49Å; I83-W145 HydrophobicContact CG1-CE3 3.83Å; I83-W145 HydrophobicContact CG1-CG 4.19Å; I83-W145 HydrophobicContact CG1-CH2 3.82Å; I83-W145 HydrophobicContact CG1-CZ2 3.63Å; I83-W145 HydrophobicContact CG1-CZ3 3.93Å; I83-W145 HydrophobicContact CG2-CE3 4.44Å; G86-W145 CarbonylContact C-O 3.52Å; L139-W145 PolarHBondContact O-NE1 3.19Å; P142-W145 PolarHBondContact O-N 3.21Å; P142-W145 VanDerWaalsContact O-N 3.11Å; Q143-W145 PolarHBondContact O-N 3.04Å; W145-F215 AromaticContact CH2-CE2 3.91Å; W145-F215 HydrophobicContact CH2-CE2 3.91Å; W145-F215 HydrophobicContact CZ2-CE2 4.31Å; W145-M218 HydrophobicContact CZ3-CE 4.39Å; W145-I219 HydrophobicContact CH2-CD1 3.77Å; W145-I219 HydrophobicContact CZ2-CD1 3.83Å
146	D	90	Very high	93.5	Very high	47 Å²	47	39.8 Å²	39.8	25%	0.251	21%	0.214	S	C	.	.	S	Bend	trans	-90.8	4.9	-174.7	-87.4	1.5	0	0	0	115.5	R89 T90 Q143	R89-D146 IonicContact CZ-OD1 3.66Å; R89-D146 IonicContact CZ-OD2 2.74Å; R89-D146 VanDerWaalsContact NE-CG 3.32Å; R89-D146 IonicContact NE-OD1 3.44Å; R89-D146 PolarHBondContact NE-OD1 3.3Å; R89-D146 IonicContact NE-OD2 3.53Å; R89-D146 PolarHBondContact NE-OD2 3.38Å; R89-D146 IonicContact NH1-OD1 3.6Å; R89-D146 IonicContact NH1-OD2 2.63Å; R89-D146 PolarHBondContact NH1-OD2 3.44Å; R89-D146 IonicContact NH2-OD1 3.65Å; R89-D146 PolarHBondContact NH2-OD1 2.82Å; R89-D146 IonicContact NH2-OD2 3.74Å; R89-D146 PolarHBondContact NH2-OD2 2.88Å; T90-D146 VanDerWaalsContact OG1-C 3.27Å; T90-D146 WeakPolarHBondContact OG1-CA 3.4Å; T90-D146 PolarHBondContact OG1-O 2.86Å; Q143-D146 PolarHBondContact O-N 2.88Å
147	S	89.9	Confident	93.4	Very high	57 Å²	57	45 Å²	45	40%	0.399	25%	0.251	S	S	.	.	S	Bend	trans	-127.1	136	179.7	89.2	0	0	0	0	109.7	Q222	S147-Q222 PolarHBondContact O-NE2 3.24Å; S147-Q222 VanDerWaalsContact OG-CD 3.23Å; S147-Q222 PolarHBondContact OG-NE2 2.8Å; S147-Q222 VanDerWaalsContact OG-NE2 3.16Å; S147-Q222 PolarHBondContact OG-OE1 2.55Å
148	F	93.8	Very high	93.2	Very high	36 Å²	36	46.5 Å²	46.5	16%	0.158	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-93.5	137.1	175.1	-72.6	-12.9	0	0	0	110.4	T87 T90 L91 L94 Y95 R362 E366	T87-F148 HydrophobicContact CG2-CE1 4.02Å; T87-F148 HydrophobicContact CG2-CZ 3.93Å; T90-F148 HydrophobicContact CG2-CD1 3.72Å; T90-F148 HydrophobicContact CG2-CD2 3.71Å; T90-F148 HydrophobicContact CG2-CE1 3.67Å; T90-F148 HydrophobicContact CG2-CE2 3.66Å; T90-F148 HydrophobicContact CG2-CG 3.74Å; T90-F148 HydrophobicContact CG2-CZ 3.65Å; L91-F148 HydrophobicContact CD2-CE2 3.59Å; L91-F148 HydrophobicContact CD2-CZ 3.81Å; L91-F148 HydrophobicContact CG-CE2 4.12Å; L91-F148 HydrophobicContact CG-CZ 3.85Å; L94-F148 HydrophobicContact CD1-CD2 4.29Å; Y95-F148 HydrophobicContact CE2-CD2 4.34Å; Y95-F148 HydrophobicContact CE2-CE2 4.22Å; F148-R362 HydrophobicContact CD2-CG 4.35Å; F148-R362 HydrophobicContact CE2-CG 3.89Å; F148-R362 HydrophobicContact CZ-CB 4.48Å; F148-R362 HydrophobicContact CZ-CG 3.98Å; F148-E366 VanDerWaalsContact CD2-OE1 3.29Å; F148-E366 WeakPolarHBondContact CD2-OE1 3.43Å
149	Y	93.8	Very high	92.9	Very high	12 Å²	12	46 Å²	46	5%	0.047	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-62.9	139.9	165.5	-69.3	-97	0	0	0	109.3	M218 K221 L246 L282 A283 R362	Y149-M218 HydrophobicContact CE1-CG 4.41Å; Y149-M218 HydrophobicContact CE2-CB 4.46Å; Y149-M218 HydrophobicContact CE2-CE 4.03Å; Y149-M218 HydrophobicContact CE2-CG 4.25Å; Y149-M218 VanDerWaalsContact OH-C 3.23Å; Y149-M218 WeakPolarHBondContact OH-CA 3.48Å; Y149-M218 PolarHBondContact OH-O 2.82Å; Y149-K221 HydrophobicContact CD1-CD 4.34Å; Y149-K221 HydrophobicContact CE1-CB 4.16Å; Y149-K221 HydrophobicContact CE1-CD 3.75Å; Y149-K221 HydrophobicContact CE1-CG 3.95Å; Y149-L246 HydrophobicContact CD1-CD2 3.93Å; Y149-L246 HydrophobicContact CE1-CD2 4.05Å; Y149-L282 WeakPolarHBondContact CD2-O 3.24Å; Y149-A283 VanDerWaalsContact CB-C 3.45Å; Y149-A283 WeakPolarHBondContact CB-O 3.42Å; Y149-R362 PolarHBondContact O-NH1 3.15Å; Y149-R362 PolarHBondContact O-NH2 3.43Å
150	P	91.4	Very high	92.4	Very high	75 Å²	75	47.5 Å²	47.5	49%	0.487	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-52.3	145.9	171.2	-24	33.5	0	0	0	111.2	S152	P150-S152 PolarHBondContact O-N 3.48Å
151	I	91.2	Very high	91.6	Very high	85 Å²	85	56 Å²	56	44%	0.436	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-61.9	131.7	173	-67	170.3	0	0	0	108.3	F367	I151-F367 HydrophobicContact CD1-CE2 4.09Å; I151-F367 HydrophobicContact CD1-CZ 3.93Å; I151-F367 HydrophobicContact CG2-CZ 4.36Å
152	S	91.9	Very high	90.6	Very high	36 Å²	36	54.3 Å²	54.3	25%	0.252	29%	0.29	S	S	.	.			trans	-138.6	160	176.5	-169.9	0	0	0	0	110.6	P150 G284 F285	P150-S152 PolarHBondContact O-N 3.48Å; S152-G284 PolarHBondContact N-O 3.09Å; S152-G284 VanDerWaalsContact N-O 3.1Å; S152-F285 VanDerWaalsContact CB-CE1 3.49Å; S152-F285 WeakPolarHBondContact OG-CE1 3.27Å
153	L	92.9	Very high	89.6	Confident	80 Å²	80	60 Å²	60	42%	0.419	31%	0.312	S	S	.	.			trans	-100.3	144.8	179.3	-60.3	178.3	0	0	0	110.1	Q247 W286 Q287	L153-Q247 WeakPolarHBondContact O-CG 3.22Å; L153-Q247 PolarHBondContact O-NE2 3.13Å; L153-W286 HydrophobicContact CD2-CZ2 3.6Å; L153-Q287 VanDerWaalsContact CA-OE1 3.22Å
154	L	94.8	Very high	88.3	Confident	6 Å²	6	60.3 Å²	60.3	3%	0.031	31%	0.313	C	S	.	.			trans	-66.4	145.4	166.3	-59.1	177.5	0	0	0	109.4	Y156 C250 A254 F285 Q287	L154-Y156 HydrophobicContact CB-CE2 4.42Å; L154-Y156 HydrophobicContact CD1-CE2 4.49Å; L154-C250 HydrophobicContact CD2-CB 4.27Å; L154-A254 HydrophobicContact CD1-CB 3.51Å; L154-A254 HydrophobicContact CD2-CB 4.29Å; L154-F285 HydrophobicContact CD2-CB 3.72Å; L154-F285 HydrophobicContact CD2-CD1 3.67Å; L154-F285 HydrophobicContact CD2-CG 3.87Å; L154-F285 HydrophobicContact CG-CB 4.37Å; L154-F285 HydrophobicContact CG-CD1 4.4Å; L154-Q287 HydrophobicContact CD1-CB 3.67Å; L154-Q287 HydrophobicContact CG-CB 4.05Å
155	N	93.9	Very high	87.2	Confident	56 Å²	56	63.8 Å²	63.8	30%	0.299	33%	0.328	S	S	.	.			trans	-128	90.1	176.9	178.4	0.6	0	0	0	109.5	S157 L158 Q247 T251	N155-S157 PolarHBondContact O-N 3.28Å; N155-S157 VanDerWaalsContact OD1-CB 3.26Å; N155-S157 WeakPolarHBondContact OD1-CB 3.46Å; N155-S157 PolarHBondContact OD1-N 3.08Å; N155-S157 PolarHBondContact OD1-OG 2.73Å; N155-L158 HydrophobicContact CB-CD1 3.91Å; N155-L158 HydrophobicContact CB-CG 4.11Å; N155-L158 VanDerWaalsContact O-CB 3.28Å; N155-L158 WeakPolarHBondContact O-CB 3.21Å; N155-L158 PolarHBondContact O-N 3.04Å; N155-Q247 HydrophobicContact CB-CG 4.47Å; N155-T251 PolarHBondContact N-OG1 2.85Å; N155-T251 WeakPolarHBondContact O-CG2 2.87Å
156	Y	92.4	Very high	86.1	Confident	33 Å²	33	67.8 Å²	67.8	13%	0.129	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-62	-11.3	-175.8	-69.2	-70	0	0	0	114.7	L32 L36 L154 L158 V159 T251 A254	L32-Y156 HydrophobicContact CB-CD1 4.06Å; L32-Y156 HydrophobicContact CB-CD2 4.3Å; L32-Y156 HydrophobicContact CB-CE1 4.45Å; L32-Y156 HydrophobicContact CB-CG 3.99Å; L32-Y156 HydrophobicContact CD1-CD1 3.9Å; L32-Y156 HydrophobicContact CD1-CE1 4.26Å; L32-Y156 HydrophobicContact CD2-CD1 3.96Å; L32-Y156 HydrophobicContact CD2-CE1 3.56Å; L32-Y156 HydrophobicContact CD2-CE2 4.49Å; L32-Y156 HydrophobicContact CG-CD1 4.17Å; L32-Y156 HydrophobicContact CG-CE1 4.28Å; L36-Y156 HydrophobicContact CD1-CD2 3.84Å; L36-Y156 HydrophobicContact CD2-CD2 3.52Å; L36-Y156 HydrophobicContact CD2-CE2 3.95Å; L36-Y156 HydrophobicContact CG-CD2 3.66Å; L36-Y156 HydrophobicContact CG-CE2 4.16Å; L154-Y156 HydrophobicContact CB-CE2 4.42Å; L154-Y156 HydrophobicContact CD1-CE2 4.49Å; Y156-L158 PolarHBondContact O-N 3.41Å; Y156-V159 HydrophobicContact CD1-CG2 3.79Å; Y156-V159 WeakPolarHBondContact O-CG2 3.05Å; Y156-V159 PolarHBondContact O-N 3.04Å; Y156-T251 HydrophobicContact CD1-CG2 3.76Å; Y156-T251 HydrophobicContact CE1-CG2 4.3Å; Y156-T251 HydrophobicContact CG-CG2 4.24Å; Y156-A254 HydrophobicContact CE1-CB 4.36Å
157	S	92.1	Very high	85.4	Confident	112 Å²	112	66.9 Å²	66.9	78%	0.783	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-66.3	-14.3	167.9	-46.1	0	0	0	0	113	N155	N155-S157 PolarHBondContact O-N 3.28Å; N155-S157 VanDerWaalsContact OD1-CB 3.26Å; N155-S157 WeakPolarHBondContact OD1-CB 3.46Å; N155-S157 PolarHBondContact OD1-N 3.08Å; N155-S157 PolarHBondContact OD1-OG 2.73Å
158	L	90.3	Very high	84.7	Confident	39 Å²	39	65.4 Å²	65.4	20%	0.204	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-93.7	1	177.4	-57.9	177	0	0	0	113.4	N155 Y156 H160 Q247 Q248 N252	N155-L158 HydrophobicContact CB-CD1 3.91Å; N155-L158 HydrophobicContact CB-CG 4.11Å; N155-L158 VanDerWaalsContact O-CB 3.28Å; N155-L158 WeakPolarHBondContact O-CB 3.21Å; N155-L158 PolarHBondContact O-N 3.04Å; Y156-L158 PolarHBondContact O-N 3.41Å; L158-H160 PolarHBondContact O-N 2.94Å; L158-Q247 HydrophobicContact CD1-CG 4.31Å; L158-Q248 HydrophobicContact CB-CB 4.46Å; L158-Q248 HydrophobicContact CB-CG 4.24Å; L158-Q248 HydrophobicContact CD1-CB 4.12Å; L158-N252 PolarHBondContact O-ND2 3.36Å; L158-N252 VanDerWaalsContact O-ND2 3.13Å
159	V	90.5	Very high	84.2	Confident	30 Å²	30	63.8 Å²	63.8	18%	0.182	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-64.9	126	176.4	175.2	0	0	0	0	109.4	Y156 T251 N252 A255	Y156-V159 HydrophobicContact CD1-CG2 3.79Å; Y156-V159 WeakPolarHBondContact O-CG2 3.05Å; Y156-V159 PolarHBondContact O-N 3.04Å; V159-T251 HydrophobicContact CG2-CG2 3.69Å; V159-N252 VanDerWaalsContact CA-OD1 3.28Å; V159-N252 WeakPolarHBondContact CA-OD1 3.4Å; V159-A255 HydrophobicContact CG1-CB 4.28Å; V159-A255 HydrophobicContact CG2-CB 4.06Å
160	H	85.8	Confident	83.7	Confident	37 Å²	37	64.5 Å²	64.5	17%	0.171	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-89.8	156.4	175.1	61.2	74.5	0	0	0	111.1	L158 F162 N252	L158-H160 PolarHBondContact O-N 2.94Å; H160-F162 AromaticContact CE1-CD1 3.72Å; H160-F162 AromaticContact CE1-CE1 3.99Å; H160-F162 AromaticContact ND1-CD1 3.93Å; H160-F162 PolarHBondContact O-N 3.31Å; H160-N252 PolarHBondContact CD2-ND2 2.87Å; H160-N252 PolarHBondContact CD2-OD1 2.87Å; H160-N252 PolarHBondContact N-OD1 3.48Å; H160-N252 PolarHBondContact NE2-OD1 3.4Å
161	K	80.4	Confident	83.3	Confident	181 Å²	181	61.3 Å²	61.3	79%	0.787	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-67.9	119.2	169.1	-66.1	-170.2	176.9	-169.5	0	109.1	K163	K161-K163 PolarHBondContact O-N 3.38Å
162	F	73.6	Confident	83.1	Confident	33 Å²	33	61.6 Å²	61.6	15%	0.145	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-59.9	132.5	176.3	-58.6	-52.2	0	0	0	110.5	C24 H160 T206 A255 E256 I259	C24-F162 HydrophobicContact CB-CD2 3.65Å; C24-F162 HydrophobicContact CB-CE2 3.53Å; C24-F162 WeakPolarHBondContact SG-CE2 3.46Å; H160-F162 AromaticContact CE1-CD1 3.72Å; H160-F162 AromaticContact CE1-CE1 3.99Å; H160-F162 AromaticContact ND1-CD1 3.93Å; H160-F162 PolarHBondContact O-N 3.31Å; F162-T206 HydrophobicContact CB-CG2 4.19Å; F162-T206 HydrophobicContact CD1-CG2 3.63Å; F162-T206 HydrophobicContact CE1-CG2 4.42Å; F162-T206 HydrophobicContact CG-CG2 4.24Å; F162-A255 HydrophobicContact CZ-CB 4.31Å; F162-E256 HydrophobicContact CE1-CG 3.78Å; F162-E256 HydrophobicContact CE2-CG 4.42Å; F162-E256 HydrophobicContact CZ-CG 3.62Å; F162-I259 HydrophobicContact CE2-CD1 3.94Å
163	K	70.6	Confident	83	Confident	147 Å²	147	63.1 Å²	63.1	64%	0.639	32%	0.319	S	S	*	.			trans	-115.4	129.1	173.5	-70.4	-176.8	-179.3	176.4	0	108	K161 K165	K161-K163 PolarHBondContact O-N 3.38Å; K163-K165 PolarHBondContact O-N 2.8Å; K163-K165 VanDerWaalsContact O-N 3.1Å
164	H	64.8	Low	82.9	Confident	136 Å²	136	59.3 Å²	59.3	63%	0.63	30%	0.299	S	S	*	.			trans	-65.5	111.4	171.9	-64.4	-69.8	0	0	0	109.6	V21	V21-H164 VanDerWaalsContact CG1-CE1 3.47Å; V21-H164 WeakPolarHBondContact CG1-CE1 3.35Å; V21-H164 WeakPolarHBondContact CG1-ND1 3.37Å
165	K	71.8	Confident	82.8	Confident	91 Å²	91	59.5 Å²	59.5	40%	0.396	30%	0.3	S	S	.	.			trans	-152.3	150.4	176	-168.6	-164.9	166.7	-158.7	0	108.5	K163 D202 S204	K163-K165 PolarHBondContact O-N 2.8Å; K163-K165 VanDerWaalsContact O-N 3.1Å; K165-D202 IonicContact NZ-OD1 3.39Å; K165-D202 IonicContact NZ-OD2 2.65Å; K165-D202 PolarHBondContact NZ-OD2 3.22Å; K165-S204 WeakPolarHBondContact CD-OG 3.39Å; K165-S204 PolarHBondContact NZ-OG 3.29Å
166	S	71.6	Confident	82.7	Confident	95 Å²	95	58.2 Å²	58.2	66%	0.664	29%	0.293	S	S	*	.			trans	-63.5	151.8	165.8	59.9	0	0	0	0	110.7
167	D	75.1	Confident	82.8	Confident	27 Å²	27	56.9 Å²	56.9	14%	0.144	29%	0.288	C	S	.	.			trans	-53	142.6	175.5	-52.8	-45.1	0	0	0	111.9	W169 E205 G209 R331	D167-W169 WeakPolarHBondContact CB-O 3.46Å; D167-W169 PolarHBondContact O-N 3.28Å; D167-E205 WeakPolarHBondContact CA-OE2 3.14Å; D167-G209 PolarHBondContact OD1-N 3.07Å; D167-R331 IonicContact OD1-CZ 2.66Å; D167-R331 VanDerWaalsContact OD1-CZ 3.26Å; D167-R331 IonicContact OD1-NE 3.59Å; D167-R331 PolarHBondContact OD1-NE 3.42Å; D167-R331 VanDerWaalsContact OD1-NE 3.08Å; D167-R331 IonicContact OD1-NH2 3.62Å; D167-R331 PolarHBondContact OD1-NH2 3.09Å; D167-R331 VanDerWaalsContact OD2-CD 3.31Å; D167-R331 WeakPolarHBondContact OD2-CD 3.46Å; D167-R331 WeakPolarHBondContact OD2-CG 3.15Å; D167-R331 IonicContact OD2-CZ 3.76Å; D167-R331 IonicContact OD2-NE 2.71Å; D167-R331 PolarHBondContact OD2-NE 2.82Å; D167-R331 IonicContact OD2-NH2 3.7Å
168	S	76.3	Confident	83	Confident	27 Å²	27	51.6 Å²	51.6	19%	0.189	25%	0.251	C	S	.	.	S	Bend	trans	-76.4	-9.3	172.4	61.4	0	0	0	0	114.2	S199 E205	S168-S199 PolarHBondContact O-OG 3.32Å; S168-E205 WeakPolarHBondContact CA-OE1 3.35Å; S168-E205 WeakPolarHBondContact CB-OE1 3.28Å; S168-E205 PolarHBondContact N-OE1 3.36Å; S168-E205 PolarHBondContact N-OE2 2.98Å; S168-E205 PolarHBondContact OG-OE1 3.43Å
169	W	82.5	Confident	83.2	Confident	2 Å²	2	53 Å²	53	1%	0.008	25%	0.254	C	S	.	.			trans	-140.5	149.5	171.9	55	22.8	0	0	0	113.1	D167 E173 A200 H212 Q213 Y216	D167-W169 WeakPolarHBondContact CB-O 3.46Å; D167-W169 PolarHBondContact O-N 3.28Å; W169-E173 WeakPolarHBondContact CA-OE2 3.25Å; W169-E173 HydrophobicContact CB-CB 3.94Å; W169-A200 HydrophobicContact CH2-CB 4.14Å; W169-A200 HydrophobicContact CZ3-CB 4.12Å; W169-H212 VanDerWaalsContact CZ2-C 3.42Å; W169-H212 HydrophobicContact CZ2-CB 3.55Å; W169-Q213 HydrophobicContact CH2-CG 4.02Å; W169-Q213 HydrophobicContact CZ2-CB 4.35Å; W169-Q213 HydrophobicContact CZ2-CG 3.71Å; W169-Y216 HydrophobicContact CH2-CG 4.25Å; W169-Y216 HydrophobicContact CZ3-CD2 4.49Å; W169-Y216 HydrophobicContact CZ3-CG 4.44Å
170	T	84.1	Confident	83.5	Confident	27 Å²	27	53.1 Å²	53.1	17%	0.166	25%	0.253	C	S	.	.			trans	-92	167.1	170.2	57.8	0	0	0	0	110.4	Y172 E173 S174 Y328 K329	T170-Y172 PolarHBondContact O-N 2.81Å; T170-E173 WeakPolarHBondContact CG2-OE2 3.46Å; T170-E173 PolarHBondContact N-OE2 3.48Å; T170-E173 PolarHBondContact O-N 2.91Å; T170-E173 WeakPolarHBondContact OG1-CG 3.47Å; T170-E173 PolarHBondContact OG1-N 3.48Å; T170-E173 PolarHBondContact OG1-OE2 3.13Å; T170-S174 WeakPolarHBondContact O-CB 3.43Å; T170-S174 PolarHBondContact O-N 2.87Å; T170-Y328 WeakPolarHBondContact CB-O 3.31Å; T170-K329 WeakPolarHBondContact CG2-O 3.47Å
171	E	83.1	Confident	83.9	Confident	8 Å²	8	51.5 Å²	51.5	4%	0.037	25%	0.245	C	C	.	.	H	α-helix	trans	-54.4	-43.3	173.3	-171.8	177.4	138.8	0	0	110.8	E173 S174 D175 Y328 K332 S334	E171-E173 VanDerWaalsContact C-N 3.3Å; E171-E173 PolarHBondContact O-N 2.94Å; E171-S174 PolarHBondContact O-N 3.5Å; E171-D175 WeakPolarHBondContact O-CB 3.27Å; E171-D175 PolarHBondContact O-N 3.34Å; E171-Y328 HydrophobicContact CB-CD2 4.27Å; E171-Y328 VanDerWaalsContact CD-CD2 3.43Å; E171-Y328 HydrophobicContact CG-CD2 4.37Å; E171-Y328 WeakPolarHBondContact OE2-CD2 3.26Å; E171-Y328 WeakPolarHBondContact OE2-CE2 3.26Å; E171-K332 VanDerWaalsContact OE2-O 3.11Å; E171-S334 PolarHBondContact OE1-OG 2.92Å
172	Y	86.9	Confident	84.5	Confident	91 Å²	91	47.1 Å²	47.1	36%	0.357	23%	0.23	S	C	.	.	H	α-helix	trans	-55	-43.1	175	179.3	-81	0	0	0	112.9	R135 T170 N176 G326 Y328	R135-Y172 VanDerWaalsContact CZ-CE2 3.44Å; R135-Y172 VanDerWaalsContact NH2-CZ 3.26Å; R135-Y172 PolarHBondContact NH2-OH 3.16Å; T170-Y172 PolarHBondContact O-N 2.81Å; Y172-N176 VanDerWaalsContact CD1-ND2 3.32Å; Y172-N176 WeakPolarHBondContact CD1-ND2 3.2Å; Y172-N176 WeakPolarHBondContact CE1-ND2 3.3Å; Y172-N176 WeakPolarHBondContact O-CB 3.42Å; Y172-N176 PolarHBondContact O-N 2.89Å; Y172-N176 PolarHBondContact O-ND2 2.62Å; Y172-G326 WeakPolarHBondContact CD2-O 3.49Å; Y172-Y328 WeakPolarHBondContact CB-O 3.37Å; Y172-Y328 PolarHBondContact N-O 3.43Å
173	E	89.9	Confident	85.4	Confident	67 Å²	67	51.4 Å²	51.4	31%	0.313	25%	0.246	S	C	.	.	H	α-helix	trans	-74.1	-46.3	-179.7	-72.9	163.7	138.2	0	0	111	W169 T170 E171 D175 N176 C177	W169-E173 WeakPolarHBondContact CA-OE2 3.25Å; W169-E173 HydrophobicContact CB-CB 3.94Å; T170-E173 WeakPolarHBondContact CG2-OE2 3.46Å; T170-E173 PolarHBondContact N-OE2 3.48Å; T170-E173 PolarHBondContact O-N 2.91Å; T170-E173 WeakPolarHBondContact OG1-CG 3.47Å; T170-E173 PolarHBondContact OG1-N 3.48Å; T170-E173 PolarHBondContact OG1-OE2 3.13Å; E171-E173 VanDerWaalsContact C-N 3.3Å; E171-E173 PolarHBondContact O-N 2.94Å; E173-D175 PolarHBondContact O-N 3.46Å; E173-N176 PolarHBondContact O-N 3.01Å; E173-C177 WeakPolarHBondContact O-CB 3.27Å; E173-C177 PolarHBondContact O-N 3.3Å; E173-C177 PolarHBondContact O-SG 2.97Å
174	S	91.1	Very high	86.4	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.007	23%	0.228	C	C	.	.	H	α-helix	trans	-54.3	-50	175.7	177.8	0	0	0	0	111.4	T170 E171 N176 C177 L178 H212	T170-S174 WeakPolarHBondContact O-CB 3.43Å; T170-S174 PolarHBondContact O-N 2.87Å; E171-S174 PolarHBondContact O-N 3.5Å; S174-N176 PolarHBondContact O-N 3.25Å; S174-C177 WeakPolarHBondContact O-CB 3.49Å; S174-C177 PolarHBondContact O-N 2.85Å; S174-C177 VanDerWaalsContact O-N 3.12Å; S174-L178 WeakPolarHBondContact O-CG 3.3Å; S174-L178 PolarHBondContact O-N 3.35Å; S174-H212 PolarHBondContact OG-ND1 3.18Å
175	D	91.5	Very high	87.6	Confident	9 Å²	9	43 Å²	43	5%	0.048	21%	0.211	C	C	.	.	H	α-helix	trans	-61	-43.5	179.4	-71.3	-10	0	0	0	112.8	Y132 V136 E171 E173 C177 L178 R179	Y132-D175 WeakPolarHBondContact CE2-OD2 3.36Å; V136-D175 HydrophobicContact CG1-CB 3.69Å; E171-D175 WeakPolarHBondContact O-CB 3.27Å; E171-D175 PolarHBondContact O-N 3.34Å; E173-D175 PolarHBondContact O-N 3.46Å; D175-C177 VanDerWaalsContact C-N 3.28Å; D175-C177 PolarHBondContact O-N 3.32Å; D175-L178 PolarHBondContact O-N 3.43Å; D175-R179 PolarHBondContact O-N 3.48Å; D175-R179 VanDerWaalsContact O-N 3.1Å
176	N	92.3	Very high	88.4	Confident	30 Å²	30	46.9 Å²	46.9	16%	0.16	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-38	176.4	-79	-45.9	0	0	0	111.3	Y172 E173 S174 R179 E180	Y172-N176 VanDerWaalsContact CD1-ND2 3.32Å; Y172-N176 WeakPolarHBondContact CD1-ND2 3.2Å; Y172-N176 WeakPolarHBondContact CE1-ND2 3.3Å; Y172-N176 WeakPolarHBondContact O-CB 3.42Å; Y172-N176 PolarHBondContact O-N 2.89Å; Y172-N176 PolarHBondContact O-ND2 2.62Å; E173-N176 PolarHBondContact O-N 3.01Å; S174-N176 PolarHBondContact O-N 3.25Å; N176-R179 PolarHBondContact O-N 3.26Å; N176-R179 PolarHBondContact OD1-NH2 3.33Å; N176-E180 PolarHBondContact O-N 2.82Å
177	C	95.2	Very high	89.2	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.027	24%	0.24	C	C	.	.	H	α-helix	trans	-65.9	-42.3	176.6	-67.7	0	0	0	0	112.2	E173 S174 D175 R179 E180 C196 Y216	E173-C177 WeakPolarHBondContact O-CB 3.27Å; E173-C177 PolarHBondContact O-N 3.3Å; E173-C177 PolarHBondContact O-SG 2.97Å; S174-C177 WeakPolarHBondContact O-CB 3.49Å; S174-C177 PolarHBondContact O-N 2.85Å; S174-C177 VanDerWaalsContact O-N 3.12Å; D175-C177 VanDerWaalsContact C-N 3.28Å; D175-C177 PolarHBondContact O-N 3.32Å; C177-R179 VanDerWaalsContact C-N 3.27Å; C177-R179 PolarHBondContact O-N 3.35Å; C177-E180 WeakPolarHBondContact O-CB 3.34Å; C177-E180 PolarHBondContact O-N 3.16Å; C177-E180 VanDerWaalsContact O-N 3.14Å; C177-C196 WeakPolarHBondContact CA-SG 3.5Å; C177-C196 HydrophobicContact CB-CB 3.59Å; C177-C196 WeakPolarHBondContact CB-SG 3.35Å; C177-C196 WeakPolarHBondContact SG-CA 3.47Å; C177-C196 WeakPolarHBondContact SG-CB 3.39Å; C177-C196 CovalentContact SG-SG 2.03Å; C177-C196 PolarHBondContact SG-SG 2.77Å; C177-Y216 HydrophobicContact CB-CD2 4.14Å; C177-Y216 HydrophobicContact CB-CE2 3.73Å
178	L	95.8	Very high	89.7	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-60.1	-39.9	174.6	-68.4	171.2	0	0	0	111.6	F138 L139 S174 D175 E180 F181 F215 Y216 I219	F138-L178 HydrophobicContact CE1-CB 4.46Å; F138-L178 HydrophobicContact CZ-CB 4.15Å; F138-L178 WeakPolarHBondContact CZ-O 3.22Å; L139-L178 HydrophobicContact CD1-CD1 4.39Å; S174-L178 WeakPolarHBondContact O-CG 3.3Å; S174-L178 PolarHBondContact O-N 3.35Å; D175-L178 PolarHBondContact O-N 3.43Å; L178-E180 PolarHBondContact O-N 3.38Å; L178-F181 HydrophobicContact CD2-CE2 4.32Å; L178-F181 WeakPolarHBondContact O-CD2 3.21Å; L178-F181 PolarHBondContact O-N 2.89Å; L178-F215 HydrophobicContact CD1-CD1 3.96Å; L178-F215 HydrophobicContact CD1-CE1 3.43Å; L178-F215 VanDerWaalsContact CD1-CE1 3.43Å; L178-F215 HydrophobicContact CD1-CZ 4.3Å; L178-F215 HydrophobicContact CD2-CD1 4.34Å; L178-F215 HydrophobicContact CD2-CE1 4.31Å; L178-Y216 HydrophobicContact CD2-CD2 4.04Å; L178-I219 HydrophobicContact CD2-CB 3.8Å; L178-I219 HydrophobicContact CD2-CG1 3.84Å; L178-I219 HydrophobicContact CD2-CG2 4.1Å
179	R	94.2	Very high	90.5	Very high	69 Å²	69	55.4 Å²	55.4	26%	0.26	27%	0.272	S	S	.	.	H	α-helix	trans	-64.3	-23.7	178.2	-169	178.4	59.7	170.5	-2	113.3	D175 N176 C177 F181 L182 Y183	D175-R179 PolarHBondContact O-N 3.48Å; D175-R179 VanDerWaalsContact O-N 3.1Å; N176-R179 PolarHBondContact O-N 3.26Å; N176-R179 PolarHBondContact OD1-NH2 3.33Å; C177-R179 VanDerWaalsContact C-N 3.27Å; C177-R179 PolarHBondContact O-N 3.35Å; R179-F181 PolarHBondContact O-N 3.19Å; R179-L182 HydrophobicContact CG-CD1 4.11Å; R179-L182 WeakPolarHBondContact O-CB 3.11Å; R179-L182 PolarHBondContact O-N 3.09Å; R179-Y183 HydrophobicContact CG-CE2 4.06Å
180	E	96.1	Very high	91.1	Very high	33 Å²	33	55.5 Å²	55.5	15%	0.154	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-59.2	-28.5	177.7	-69.7	-174.7	171.1	0	0	112.8	N176 C177 L178 L182 Y183 I192 S193 C196	N176-E180 PolarHBondContact O-N 2.82Å; C177-E180 WeakPolarHBondContact O-CB 3.34Å; C177-E180 PolarHBondContact O-N 3.16Å; C177-E180 VanDerWaalsContact O-N 3.14Å; L178-E180 PolarHBondContact O-N 3.38Å; E180-L182 PolarHBondContact O-N 3.44Å; E180-Y183 PolarHBondContact O-N 3.21Å; E180-I192 WeakPolarHBondContact OE2-CA 3.05Å; E180-S193 WeakPolarHBondContact OE1-CB 3.37Å; E180-S193 PolarHBondContact OE1-OG 2.9Å; E180-S193 PolarHBondContact OE2-N 3.48Å; E180-S193 PolarHBondContact OE2-OG 2.84Å; E180-C196 VanDerWaalsContact CD-SG 3.5Å; E180-C196 PolarHBondContact OE1-SG 3.25Å; E180-C196 WeakPolarHBondContact OE2-CB 3.47Å
181	F	95.3	Very high	91.6	Very high	3 Å²	3	60 Å²	60	1%	0.013	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-65.8	-18.3	177	-60.2	-52.2	0	0	0	114	L178 R179 Y183 I192 Y216 I219 G220 C225 L229	L178-F181 HydrophobicContact CD2-CE2 4.32Å; L178-F181 WeakPolarHBondContact O-CD2 3.21Å; L178-F181 PolarHBondContact O-N 2.89Å; R179-F181 PolarHBondContact O-N 3.19Å; F181-Y183 VanDerWaalsContact C-N 3.28Å; F181-I192 HydrophobicContact CD1-CD1 4.41Å; F181-I192 HydrophobicContact CD1-CG1 4.41Å; F181-I192 HydrophobicContact CE1-CD1 3.75Å; F181-I192 HydrophobicContact CE1-CG1 4.08Å; F181-Y216 HydrophobicContact CE1-CE1 4.37Å; F181-Y216 HydrophobicContact CE1-CE2 4.35Å; F181-Y216 AromaticContact CE1-CZ 3.93Å; F181-Y216 AromaticContact CE2-CD2 3.78Å; F181-Y216 HydrophobicContact CE2-CD2 3.78Å; F181-Y216 HydrophobicContact CE2-CE1 4.42Å; F181-Y216 AromaticContact CE2-CE2 3.54Å; F181-Y216 HydrophobicContact CE2-CE2 3.54Å; F181-Y216 HydrophobicContact CE2-CG 4.3Å; F181-Y216 AromaticContact CE2-CZ 3.9Å; F181-Y216 WeakPolarHBondContact CE2-O 3.46Å; F181-Y216 HydrophobicContact CZ-CD1 4.04Å; F181-Y216 AromaticContact CZ-CD2 3.91Å; F181-Y216 HydrophobicContact CZ-CD2 3.91Å; F181-Y216 AromaticContact CZ-CE1 3.59Å; F181-Y216 HydrophobicContact CZ-CE1 3.59Å; F181-Y216 AromaticContact CZ-CE2 3.41Å; F181-Y216 HydrophobicContact CZ-CE2 3.41Å; F181-Y216 VanDerWaalsContact CZ-CE2 3.41Å; F181-Y216 HydrophobicContact CZ-CG 4.2Å; F181-Y216 AromaticContact CZ-CZ 3.24Å; F181-Y216 WeakPolarHBondContact CZ-O 3.41Å; F181-I219 HydrophobicContact CD2-CB 4.32Å; F181-I219 HydrophobicContact CD2-CG2 3.8Å; F181-I219 HydrophobicContact CE2-CB 4.27Å; F181-I219 HydrophobicContact CE2-CG2 4.25Å; F181-G220 VanDerWaalsContact CE1-CA 3.43Å; F181-C225 HydrophobicContact CD1-CB 3.98Å; F181-C225 VanDerWaalsContact CD1-SG 3.59Å; F181-C225 HydrophobicContact CE1-CB 4.3Å; F181-L229 HydrophobicContact CE1-CD2 4.37Å
182	L	92.1	Very high	92.2	Very high	89 Å²	89	60.9 Å²	60.9	47%	0.466	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-76	-16.9	173.4	-58.1	-176.7	0	0	0	112.8	F138 R179 E180	F138-L182 HydrophobicContact CB-CD1 4.07Å; F138-L182 HydrophobicContact CB-CD2 4.14Å; F138-L182 HydrophobicContact CD1-CD1 3.76Å; F138-L182 HydrophobicContact CD1-CD2 4.39Å; F138-L182 HydrophobicContact CD1-CG 4.26Å; F138-L182 HydrophobicContact CD2-CD2 3.74Å; F138-L182 HydrophobicContact CD2-CG 4.4Å; F138-L182 HydrophobicContact CE1-CD1 4.33Å; F138-L182 HydrophobicContact CE1-CG 4.49Å; F138-L182 HydrophobicContact CE2-CD2 4.19Å; F138-L182 HydrophobicContact CG-CD1 3.89Å; F138-L182 HydrophobicContact CG-CD2 3.84Å; F138-L182 HydrophobicContact CG-CG 4.2Å; R179-L182 HydrophobicContact CG-CD1 4.11Å; R179-L182 WeakPolarHBondContact O-CB 3.11Å; R179-L182 PolarHBondContact O-N 3.09Å; E180-L182 PolarHBondContact O-N 3.44Å
183	Y	92.3	Very high	92.6	Very high	122 Å²	122	58.5 Å²	58.5	48%	0.478	29%	0.291	S	S	.	.			trans	-104.2	111.6	-176.5	-55.3	-63.4	0	0	0	111	R179 E180 F181 K191	R179-Y183 HydrophobicContact CG-CE2 4.06Å; E180-Y183 PolarHBondContact O-N 3.21Å; F181-Y183 VanDerWaalsContact C-N 3.28Å; Y183-K191 PolarHBondContact O-N 3.13Å
184	K	92	Very high	92.8	Very high	59 Å²	59	66.2 Å²	66.2	26%	0.257	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-115.1	159.4	178.2	-57.4	-169.8	176	-160.3	0	111.8	D188 I189	K184-D188 WeakPolarHBondContact CD-OD1 3.42Å; K184-D188 VanDerWaalsContact NZ-CG 3.31Å; K184-D188 IonicContact NZ-OD1 2.69Å; K184-D188 PolarHBondContact NZ-OD1 2.79Å; K184-D188 IonicContact NZ-OD2 3.92Å; K184-D188 PolarHBondContact NZ-OD2 3.41Å; K184-D188 VanDerWaalsContact NZ-OD2 3.09Å; K184-I189 CarbonylContact C-O 3.15Å; K184-I189 WeakPolarHBondContact CA-O 3.32Å
185	T	91.1	Very high	92.9	Very high	47 Å²	47	70.8 Å²	70.8	29%	0.288	34%	0.339	S	S	.	.			trans	-78.5	171.4	168.6	64.4	0	0	0	0	110.6	N187 D188 I189 K191	T185-N187 PolarHBondContact O-N 3.07Å; T185-N187 VanDerWaalsContact O-N 3.11Å; T185-N187 PolarHBondContact OG1-N 3.3Å; T185-D188 PolarHBondContact O-N 3.2Å; T185-I189 HydrophobicContact CG2-CB 4.36Å; T185-I189 PolarHBondContact N-O 3.22Å; T185-I189 WeakPolarHBondContact OG1-CB 3.34Å; T185-I189 PolarHBondContact OG1-N 3.43Å; T185-I189 PolarHBondContact OG1-O 2.85Å; T185-K191 HydrophobicContact CG2-CD 4.46Å; T185-K191 HydrophobicContact CG2-CG 4.07Å
186	D	87.8	Confident	93.1	Very high	173 Å²	173	70.6 Å²	70.6	93%	0.925	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.9	175.5	-57.8	-30.3	0	0	0	112.9	D188	D186-D188 VanDerWaalsContact C-N 3.33Å
187	N	87.7	Confident	93.3	Very high	137 Å²	137	70 Å²	70	73%	0.733	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	20.3	174.9	-63.4	-26	0	0	0	112.9	T185 I189	T185-N187 PolarHBondContact O-N 3.07Å; T185-N187 VanDerWaalsContact O-N 3.11Å; T185-N187 PolarHBondContact OG1-N 3.3Å; N187-I189 HydrophobicContact CB-CD1 4.29Å; N187-I189 HydrophobicContact CB-CG1 4.29Å; N187-I189 PolarHBondContact O-N 3.5Å; N187-I189 VanDerWaalsContact O-N 3.07Å
188	D	87.2	Confident	93.2	Very high	100 Å²	100	76.2 Å²	76.2	54%	0.535	36%	0.36	S	S	.	.	S	Bend	trans	60.7	14	-178.9	-155.2	44.9	0	0	0	115.4	K184 T185 D186	K184-D188 WeakPolarHBondContact CD-OD1 3.42Å; K184-D188 VanDerWaalsContact NZ-CG 3.31Å; K184-D188 IonicContact NZ-OD1 2.69Å; K184-D188 PolarHBondContact NZ-OD1 2.79Å; K184-D188 IonicContact NZ-OD2 3.92Å; K184-D188 PolarHBondContact NZ-OD2 3.41Å; K184-D188 VanDerWaalsContact NZ-OD2 3.09Å; T185-D188 PolarHBondContact O-N 3.2Å; D186-D188 VanDerWaalsContact C-N 3.33Å
189	I	91.9	Very high	93	Very high	91 Å²	91	76.4 Å²	76.4	47%	0.467	36%	0.361	S	S	.	.			trans	-77.4	125.5	175.9	-53.7	170.5	0	0	0	109.6	K184 T185 N187	K184-I189 CarbonylContact C-O 3.15Å; K184-I189 WeakPolarHBondContact CA-O 3.32Å; T185-I189 HydrophobicContact CG2-CB 4.36Å; T185-I189 PolarHBondContact N-O 3.22Å; T185-I189 WeakPolarHBondContact OG1-CB 3.34Å; T185-I189 PolarHBondContact OG1-N 3.43Å; T185-I189 PolarHBondContact OG1-O 2.85Å; N187-I189 HydrophobicContact CB-CD1 4.29Å; N187-I189 HydrophobicContact CB-CG1 4.29Å; N187-I189 PolarHBondContact O-N 3.5Å; N187-I189 VanDerWaalsContact O-N 3.07Å
190	C	96.3	Very high	93	Very high	5 Å²	5	73.1 Å²	73.1	3%	0.034	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-69	138.2	177.6	-57.6	0	0	0	0	112.4	I192 C225 T228	C190-I192 PolarHBondContact O-N 2.9Å; C190-C225 HydrophobicContact CB-CB 3.65Å; C190-C225 WeakPolarHBondContact CB-SG 3.46Å; C190-C225 WeakPolarHBondContact SG-CA 3.31Å; C190-C225 WeakPolarHBondContact SG-CB 3.4Å; C190-C225 CovalentContact SG-SG 2.02Å; C190-C225 PolarHBondContact SG-SG 3.2Å; C190-T228 HydrophobicContact CB-CG2 4.4Å; C190-T228 PolarHBondContact N-OG1 2.84Å; C190-T228 WeakPolarHBondContact O-CG2 3.37Å
191	K	94.3	Very high	92.8	Very high	121 Å²	121	71.9 Å²	71.9	53%	0.526	34%	0.344	S	S	.	.			trans	-94.8	91.3	-179.5	-67.9	180	179.8	172.2	0	110.9	Y183 T185	Y183-K191 PolarHBondContact O-N 3.13Å; T185-K191 HydrophobicContact CG2-CD 4.46Å; T185-K191 HydrophobicContact CG2-CG 4.07Å
192	I	96	Very high	92.6	Very high	27 Å²	27	73.3 Å²	73.3	14%	0.138	35%	0.352	C	S	.	.			trans	-96	126.5	176.4	-60.5	170.6	0	0	0	109.7	E180 F181 C190 C196 W197 Y216 T228 L229 L232	E180-I192 WeakPolarHBondContact OE2-CA 3.05Å; F181-I192 HydrophobicContact CD1-CD1 4.41Å; F181-I192 HydrophobicContact CD1-CG1 4.41Å; F181-I192 HydrophobicContact CE1-CD1 3.75Å; F181-I192 HydrophobicContact CE1-CG1 4.08Å; C190-I192 PolarHBondContact O-N 2.9Å; I192-C196 HydrophobicContact CG2-CB 4.47Å; I192-W197 HydrophobicContact CG2-CB 4.11Å; I192-Y216 VanDerWaalsContact CG2-OH 3.25Å; I192-Y216 WeakPolarHBondContact CG2-OH 3.43Å; I192-T228 HydrophobicContact CD1-CG2 3.83Å; I192-T228 HydrophobicContact CG1-CG2 4.32Å; I192-L229 HydrophobicContact CD1-CD2 3.66Å; I192-L229 HydrophobicContact CD1-CG 4.39Å; I192-L232 HydrophobicContact CB-CD1 3.83Å; I192-L232 HydrophobicContact CD1-CD1 3.86Å; I192-L232 HydrophobicContact CG1-CD1 4.42Å; I192-L232 HydrophobicContact CG2-CD1 3.93Å
193	S	95.3	Very high	92.3	Very high	40 Å²	40	73.1 Å²	73.1	28%	0.28	35%	0.345	S	S	.	.			trans	-74.9	153.1	178	73.3	0	0	0	0	111.8	E180 Q195 C196 W197	E180-S193 WeakPolarHBondContact OE1-CB 3.37Å; E180-S193 PolarHBondContact OE1-OG 2.9Å; E180-S193 PolarHBondContact OE2-N 3.48Å; E180-S193 PolarHBondContact OE2-OG 2.84Å; S193-Q195 PolarHBondContact O-N 3.03Å; S193-C196 PolarHBondContact O-N 3.26Å; S193-C196 WeakPolarHBondContact OG-CB 3.22Å; S193-C196 PolarHBondContact OG-N 3.01Å; S193-C196 PolarHBondContact OG-SG 2.89Å; S193-W197 PolarHBondContact O-N 3.4Å
194	R	93.9	Very high	92	Very high	230 Å²	230	68.4 Å²	68.4	87%	0.868	33%	0.33	S	S	*	.	H	α-helix	trans	-58.4	-33.9	176	-171.4	-179.8	-172.4	-166.7	3.4	112.3	K198	R194-K198 VanDerWaalsContact O-CB 3.27Å; R194-K198 WeakPolarHBondContact O-CB 3.19Å; R194-K198 PolarHBondContact O-N 3.26Å
195	Q	93.6	Very high	91.9	Very high	97 Å²	97	65.8 Å²	65.8	45%	0.453	32%	0.319	S	S	.	.	H	α-helix	trans	-68.1	-49.9	179.6	179.8	61.3	12.3	0	0	110.6	S193 W197 K198 S199	S193-Q195 PolarHBondContact O-N 3.03Å; Q195-W197 VanDerWaalsContact C-N 3.33Å; Q195-W197 PolarHBondContact O-N 2.66Å; Q195-K198 WeakPolarHBondContact O-CB 3.38Å; Q195-K198 PolarHBondContact O-N 3.49Å; Q195-S199 PolarHBondContact O-N 3.49Å; Q195-S199 VanDerWaalsContact O-N 3.13Å
196	C	95.4	Very high	91.9	Very high	5 Å²	5	64 Å²	64	3%	0.034	31%	0.308	C	S	.	.	H	α-helix	trans	-61.6	-42.4	177.7	-68.6	0	0	0	0	112.3	C177 E180 I192 S193 K198 S199 A200	C177-C196 WeakPolarHBondContact CA-SG 3.5Å; C177-C196 HydrophobicContact CB-CB 3.59Å; C177-C196 WeakPolarHBondContact CB-SG 3.35Å; C177-C196 WeakPolarHBondContact SG-CA 3.47Å; C177-C196 WeakPolarHBondContact SG-CB 3.39Å; C177-C196 CovalentContact SG-SG 2.03Å; C177-C196 PolarHBondContact SG-SG 2.77Å; E180-C196 VanDerWaalsContact CD-SG 3.5Å; E180-C196 PolarHBondContact OE1-SG 3.25Å; E180-C196 WeakPolarHBondContact OE2-CB 3.47Å; I192-C196 HydrophobicContact CG2-CB 4.47Å; S193-C196 PolarHBondContact O-N 3.26Å; S193-C196 WeakPolarHBondContact OG-CB 3.22Å; S193-C196 PolarHBondContact OG-N 3.01Å; S193-C196 PolarHBondContact OG-SG 2.89Å; C196-K198 VanDerWaalsContact C-N 3.33Å; C196-K198 PolarHBondContact O-N 3Å; C196-S199 PolarHBondContact O-N 3.4Å; C196-A200 VanDerWaalsContact O-CB 3.32Å; C196-A200 WeakPolarHBondContact O-CB 3.43Å; C196-A200 PolarHBondContact O-N 3.16Å
197	W	95.3	Very high	92.1	Very high	16 Å²	16	56.2 Å²	56.2	6%	0.061	27%	0.266	C	S	.	.	H	α-helix	trans	-63.5	-38.6	176.4	-169.7	-119.8	0	0	0	112.9	I192 S193 Q195 A200 T201 Y216 L217 L229 L232 L233 N236	I192-W197 HydrophobicContact CG2-CB 4.11Å; S193-W197 PolarHBondContact O-N 3.4Å; Q195-W197 VanDerWaalsContact C-N 3.33Å; Q195-W197 PolarHBondContact O-N 2.66Å; W197-A200 HydrophobicContact CE3-CB 4.26Å; W197-A200 HydrophobicContact CZ3-CB 4.46Å; W197-A200 PolarHBondContact O-N 3.21Å; W197-T201 HydrophobicContact CD2-CG2 3.97Å; W197-T201 VanDerWaalsContact CE2-CG2 3.5Å; W197-T201 HydrophobicContact CE3-CG2 4.28Å; W197-T201 HydrophobicContact CH2-CG2 3.72Å; W197-T201 HydrophobicContact CZ2-CG2 3.39Å; W197-T201 HydrophobicContact CZ3-CG2 4.15Å; W197-T201 WeakPolarHBondContact O-CB 3.26Å; W197-T201 PolarHBondContact O-N 3Å; W197-T201 VanDerWaalsContact O-N 3.08Å; W197-T201 PolarHBondContact O-OG1 2.68Å; W197-Y216 HydrophobicContact CE3-CE1 4.48Å; W197-L217 HydrophobicContact CZ3-CD2 4.34Å; W197-L229 HydrophobicContact CE3-CD2 4.46Å; W197-L229 HydrophobicContact CH2-CD2 4.42Å; W197-L229 HydrophobicContact CZ3-CD2 3.71Å; W197-L232 HydrophobicContact CD2-CB 3.89Å; W197-L232 HydrophobicContact CD2-CD1 3.97Å; W197-L232 VanDerWaalsContact CE2-CB 3.49Å; W197-L232 HydrophobicContact CE3-CB 4.41Å; W197-L232 HydrophobicContact CE3-CD1 4.11Å; W197-L232 HydrophobicContact CG-CB 4.38Å; W197-L232 HydrophobicContact CG-CD1 4.18Å; W197-L232 HydrophobicContact CH2-CB 4.27Å; W197-L232 HydrophobicContact CZ2-CB 3.7Å; W197-L233 HydrophobicContact CH2-CD1 4.49Å; W197-L233 HydrophobicContact CH2-CD2 3.76Å; W197-L233 HydrophobicContact CH2-CG 3.65Å; W197-L233 HydrophobicContact CZ2-CB 4.36Å; W197-L233 HydrophobicContact CZ2-CD2 3.66Å; W197-L233 HydrophobicContact CZ2-CG 3.67Å; W197-N236 PolarHBondContact NE1-OD1 3.19Å; W197-N236 VanDerWaalsContact NE1-OD1 3.17Å
198	K	93.3	Very high	92.2	Very high	136 Å²	136	50.7 Å²	50.7	59%	0.591	24%	0.235	S	C	*	.	H	α-helix	trans	-62.8	-44.4	177.5	-177.3	-175.8	174.5	-169.3	0	111.8	R194 Q195 C196 T201 D202	R194-K198 VanDerWaalsContact O-CB 3.27Å; R194-K198 WeakPolarHBondContact O-CB 3.19Å; R194-K198 PolarHBondContact O-N 3.26Å; Q195-K198 WeakPolarHBondContact O-CB 3.38Å; Q195-K198 PolarHBondContact O-N 3.49Å; C196-K198 VanDerWaalsContact C-N 3.33Å; C196-K198 PolarHBondContact O-N 3Å; K198-T201 CarbonylContact O-C 3.54Å; K198-T201 PolarHBondContact O-N 2.99Å; K198-D202 PolarHBondContact O-N 3.41Å
199	S	92.5	Very high	92.4	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.028	21%	0.209	C	C	.	.	H	α-helix	trans	-69.8	-39.3	177.7	-59.7	0	0	0	0	111.8	S168 Q195 C196 T201 D202 Q213	S168-S199 PolarHBondContact O-OG 3.32Å; Q195-S199 PolarHBondContact O-N 3.49Å; Q195-S199 VanDerWaalsContact O-N 3.13Å; C196-S199 PolarHBondContact O-N 3.4Å; S199-T201 PolarHBondContact O-N 3.13Å; S199-T201 VanDerWaalsContact O-N 3.15Å; S199-D202 PolarHBondContact O-N 3.05Å; S199-Q213 PolarHBondContact O-NE2 3.48Å
200	A	93.7	Very high	92.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.7	-18.3	174.8	0	0	0	0	0	114	W169 C196 W197 Y216 Y245	W169-A200 HydrophobicContact CH2-CB 4.14Å; W169-A200 HydrophobicContact CZ3-CB 4.12Å; C196-A200 VanDerWaalsContact O-CB 3.32Å; C196-A200 WeakPolarHBondContact O-CB 3.43Å; C196-A200 PolarHBondContact O-N 3.16Å; W197-A200 HydrophobicContact CE3-CB 4.26Å; W197-A200 HydrophobicContact CZ3-CB 4.46Å; W197-A200 PolarHBondContact O-N 3.21Å; A200-Y216 HydrophobicContact CB-CD1 3.48Å; A200-Y216 VanDerWaalsContact CB-CD1 3.48Å; A200-Y216 HydrophobicContact CB-CE1 3.61Å; A200-Y216 HydrophobicContact CB-CG 4.26Å; A200-Y245 PolarHBondContact O-OH 3.35Å
201	T	92.5	Very high	92.4	Very high	8 Å²	8	41.4 Å²	41.4	5%	0.049	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	17.8	-177.2	59.4	0	0	0	0	114.9	W197 K198 S199 Y203 Y245	W197-T201 HydrophobicContact CD2-CG2 3.97Å; W197-T201 VanDerWaalsContact CE2-CG2 3.5Å; W197-T201 HydrophobicContact CE3-CG2 4.28Å; W197-T201 HydrophobicContact CH2-CG2 3.72Å; W197-T201 HydrophobicContact CZ2-CG2 3.39Å; W197-T201 HydrophobicContact CZ3-CG2 4.15Å; W197-T201 WeakPolarHBondContact O-CB 3.26Å; W197-T201 PolarHBondContact O-N 3Å; W197-T201 VanDerWaalsContact O-N 3.08Å; W197-T201 PolarHBondContact O-OG1 2.68Å; K198-T201 CarbonylContact O-C 3.54Å; K198-T201 PolarHBondContact O-N 2.99Å; S199-T201 PolarHBondContact O-N 3.13Å; S199-T201 VanDerWaalsContact O-N 3.15Å; T201-Y203 WeakPolarHBondContact O-CE2 3.44Å; T201-Y203 PolarHBondContact O-N 2.95Å; T201-Y245 WeakPolarHBondContact CA-OH 3.43Å; T201-Y245 HydrophobicContact CG2-CE1 4.1Å
202	D	90.3	Very high	92.4	Very high	32 Å²	32	36.4 Å²	36.4	17%	0.171	17%	0.165	C	C	.	.			trans	-80.9	106	176.8	-167.9	-23.8	0	0	0	111.2	K165 K198 S199 S204 E205 Q213	K165-D202 IonicContact NZ-OD1 3.39Å; K165-D202 IonicContact NZ-OD2 2.65Å; K165-D202 PolarHBondContact NZ-OD2 3.22Å; K198-D202 PolarHBondContact O-N 3.41Å; S199-D202 PolarHBondContact O-N 3.05Å; D202-S204 PolarHBondContact O-N 2.97Å; D202-S204 WeakPolarHBondContact OD1-CB 3.39Å; D202-S204 PolarHBondContact OD1-N 3.42Å; D202-S204 PolarHBondContact OD1-OG 2.97Å; D202-E205 HydrophobicContact CB-CG 4.08Å; D202-E205 WeakPolarHBondContact O-CG 3.37Å; D202-E205 PolarHBondContact O-N 3.24Å; D202-Q213 PolarHBondContact O-NE2 3.27Å
203	Y	86.6	Confident	92.4	Very high	85 Å²	85	35.2 Å²	35.2	33%	0.333	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-7.3	178	-62.7	-79.4	0	0	0	115	T201 Q237 Y245	T201-Y203 WeakPolarHBondContact O-CE2 3.44Å; T201-Y203 PolarHBondContact O-N 2.95Å; Y203-Q237 WeakPolarHBondContact OH-CG 3.47Å; Y203-Q237 PolarHBondContact OH-NE2 2.86Å; Y203-Y245 HydrophobicContact CE1-CE2 4.04Å
204	S	85.7	Confident	92.5	Very high	24 Å²	24	33.3 Å²	33.3	17%	0.168	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-1.7	178.6	64.3	0	0	0	0	113.6	K165 D202	K165-S204 WeakPolarHBondContact CD-OG 3.39Å; K165-S204 PolarHBondContact NZ-OG 3.29Å; D202-S204 PolarHBondContact O-N 2.97Å; D202-S204 WeakPolarHBondContact OD1-CB 3.39Å; D202-S204 PolarHBondContact OD1-N 3.42Å; D202-S204 PolarHBondContact OD1-OG 2.97Å
205	E	90.2	Very high	92.7	Very high	3 Å²	3	22.9 Å²	22.9	1%	0.014	11%	0.106	C	C	.	.			trans	-65.8	146.2	176	-65.3	-50.2	133	0	0	112.2	D167 S168 D202 G209 L210 Q213	D167-E205 WeakPolarHBondContact CA-OE2 3.14Å; S168-E205 WeakPolarHBondContact CA-OE1 3.35Å; S168-E205 WeakPolarHBondContact CB-OE1 3.28Å; S168-E205 PolarHBondContact N-OE1 3.36Å; S168-E205 PolarHBondContact N-OE2 2.98Å; S168-E205 PolarHBondContact OG-OE1 3.43Å; D202-E205 HydrophobicContact CB-CG 4.08Å; D202-E205 WeakPolarHBondContact O-CG 3.37Å; D202-E205 PolarHBondContact O-N 3.24Å; E205-G209 WeakPolarHBondContact OE2-CA 3.06Å; E205-L210 HydrophobicContact CB-CB 4.2Å; E205-Q213 HydrophobicContact CG-CG 4.46Å; E205-Q213 VanDerWaalsContact CG-NE2 3.29Å
206	T	91.3	Very high	92.9	Very high	9 Å²	9	18.3 Å²	18.3	6%	0.055	9%	0.085	C	C	.	.			trans	-142.2	163.9	173	50.3	0	0	0	0	108.3	F162 Y208 G209 E256	F162-T206 HydrophobicContact CB-CG2 4.19Å; F162-T206 HydrophobicContact CD1-CG2 3.63Å; F162-T206 HydrophobicContact CE1-CG2 4.42Å; F162-T206 HydrophobicContact CG-CG2 4.24Å; T206-Y208 PolarHBondContact O-N 3.14Å; T206-Y208 VanDerWaalsContact O-N 3.13Å; T206-G209 PolarHBondContact O-N 3.11Å; T206-E256 WeakPolarHBondContact CA-OE1 3.2Å; T206-E256 WeakPolarHBondContact CB-OE1 3.33Å; T206-E256 WeakPolarHBondContact CG2-OE1 3.41Å
207	E	90.7	Very high	92.9	Very high	10 Å²	10	18.1 Å²	18.1	5%	0.047	8%	0.083	C	C	.	.	H	α-helix	trans	54.1	-116.1	171.6	-61.1	172.3	178.2	0	0	112.3	I22 L210 T211 E256 F269 L272 R331	I22-E207 HydrophobicContact CD1-CG 4.05Å; I22-E207 PolarHBondContact N-OE1 3.35Å; E207-L210 PolarHBondContact O-N 3.05Å; E207-T211 WeakPolarHBondContact O-CB 3.02Å; E207-T211 PolarHBondContact O-N 3.41Å; E207-T211 PolarHBondContact O-OG1 3.02Å; E207-E256 WeakPolarHBondContact CA-OE2 3.47Å; E207-E256 VanDerWaalsContact N-CD 3.27Å; E207-E256 PolarHBondContact N-OE1 3.2Å; E207-E256 PolarHBondContact N-OE2 2.74Å; E207-F269 HydrophobicContact CG-CE1 4.49Å; E207-L272 HydrophobicContact CB-CD2 3.67Å; E207-L272 HydrophobicContact CG-CD2 3.99Å; E207-R331 IonicContact OE2-CZ 2.74Å; E207-R331 IonicContact OE2-NH1 2.93Å; E207-R331 PolarHBondContact OE2-NH1 3.38Å; E207-R331 IonicContact OE2-NH2 3.51Å
208	Y	89.6	Confident	93.1	Very high	21 Å²	21	17.4 Å²	17.4	8%	0.082	8%	0.081	C	C	.	.	H	α-helix	trans	-58.1	-52.1	-179.4	175.9	-96.8	0	0	0	112	T206 L210 T211 H212 R331	T206-Y208 PolarHBondContact O-N 3.14Å; T206-Y208 VanDerWaalsContact O-N 3.13Å; Y208-L210 VanDerWaalsContact C-N 3.34Å; Y208-L210 PolarHBondContact O-N 3.15Å; Y208-T211 PolarHBondContact O-N 3.25Å; Y208-H212 AromaticContact CD2-CD2 3.87Å; Y208-H212 AromaticContact CD2-NE2 3.7Å; Y208-H212 AromaticContact CE2-CD2 3.64Å; Y208-H212 AromaticContact CE2-CE1 3.5Å; Y208-H212 AromaticContact CE2-NE2 3.05Å; Y208-H212 WeakPolarHBondContact CE2-NE2 3.49Å; Y208-H212 AromaticContact CZ-CD2 3.87Å; Y208-H212 AromaticContact CZ-CE1 3.3Å; Y208-H212 AromaticContact CZ-ND1 3.74Å; Y208-H212 AromaticContact CZ-NE2 3.36Å; Y208-H212 WeakPolarHBondContact O-CB 3.35Å; Y208-H212 PolarHBondContact O-CD2 3.41Å; Y208-H212 PolarHBondContact O-N 3.01Å; Y208-H212 PolarHBondContact OH-CE1 3.11Å; Y208-R331 HydrophobicContact CD1-CG 4.49Å
209	G	91.2	Very high	93.2	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-58.7	-45.6	-178.2	0	0	0	0	0	112.4	D167 E205 T206 H212 Q213	D167-G209 PolarHBondContact OD1-N 3.07Å; E205-G209 WeakPolarHBondContact OE2-CA 3.06Å; T206-G209 PolarHBondContact O-N 3.11Å; G209-H212 PolarHBondContact O-N 3.08Å; G209-Q213 WeakPolarHBondContact O-CG 3.45Å; G209-Q213 PolarHBondContact O-N 3.42Å
210	L	94.1	Very high	93.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-65.2	-43.2	-180	177.3	64.2	0	0	0	111.7	E205 E207 Y208 H212 Q213 V214 L249 N252 V253	E205-L210 HydrophobicContact CB-CB 4.2Å; E207-L210 PolarHBondContact O-N 3.05Å; Y208-L210 VanDerWaalsContact C-N 3.34Å; Y208-L210 PolarHBondContact O-N 3.15Å; L210-H212 VanDerWaalsContact C-N 3.3Å; L210-H212 PolarHBondContact O-N 2.92Å; L210-Q213 WeakPolarHBondContact O-CB 3.41Å; L210-Q213 PolarHBondContact O-N 3.18Å; L210-Q213 VanDerWaalsContact O-N 3.1Å; L210-V214 PolarHBondContact O-N 3.29Å; L210-L249 HydrophobicContact CD1-CD2 3.73Å; L210-N252 HydrophobicContact CD1-CB 4.35Å; L210-N252 HydrophobicContact CD2-CB 3.79Å; L210-V253 HydrophobicContact CD2-CG2 3.83Å; L210-V253 HydrophobicContact CG-CG2 3.7Å
211	T	95.2	Very high	93.5	Very high	1 Å²	1	13 Å²	13	1%	0.006	6%	0.061	C	C	.	.	H	α-helix	trans	-63.7	-38.7	178	-53.1	0	0	0	0	111.1	E207 Y208 Q213 V214 F215 E275 Q276 F279	E207-T211 WeakPolarHBondContact O-CB 3.02Å; E207-T211 PolarHBondContact O-N 3.41Å; E207-T211 PolarHBondContact O-OG1 3.02Å; Y208-T211 PolarHBondContact O-N 3.25Å; T211-Q213 VanDerWaalsContact C-N 3.31Å; T211-Q213 PolarHBondContact O-N 3.4Å; T211-V214 WeakPolarHBondContact O-CB 3.48Å; T211-V214 PolarHBondContact O-N 2.89Å; T211-F215 PolarHBondContact O-N 3.34Å; T211-E275 HydrophobicContact CG2-CB 4.3Å; T211-E275 HydrophobicContact CG2-CG 3.72Å; T211-Q276 HydrophobicContact CG2-CG 4.14Å; T211-Q276 VanDerWaalsContact OG1-CG 3.26Å; T211-Q276 WeakPolarHBondContact OG1-CG 3.29Å; T211-Q276 PolarHBondContact OG1-NE2 2.87Å; T211-F279 HydrophobicContact CG2-CD2 3.86Å; T211-F279 HydrophobicContact CG2-CE2 4.42Å
212	H	94.5	Very high	93.6	Very high	17 Å²	17	13.9 Å²	13.9	8%	0.079	6%	0.064	C	C	.	.	H	α-helix	trans	-69	-26.3	174.4	-84.1	-125.3	0	0	0	113.2	W169 S174 Y208 G209 L210 V214 F215 Y216 E275	W169-H212 VanDerWaalsContact CZ2-C 3.42Å; W169-H212 HydrophobicContact CZ2-CB 3.55Å; S174-H212 PolarHBondContact OG-ND1 3.18Å; Y208-H212 AromaticContact CD2-CD2 3.87Å; Y208-H212 AromaticContact CD2-NE2 3.7Å; Y208-H212 AromaticContact CE2-CD2 3.64Å; Y208-H212 AromaticContact CE2-CE1 3.5Å; Y208-H212 AromaticContact CE2-NE2 3.05Å; Y208-H212 WeakPolarHBondContact CE2-NE2 3.49Å; Y208-H212 AromaticContact CZ-CD2 3.87Å; Y208-H212 AromaticContact CZ-CE1 3.3Å; Y208-H212 AromaticContact CZ-ND1 3.74Å; Y208-H212 AromaticContact CZ-NE2 3.36Å; Y208-H212 WeakPolarHBondContact O-CB 3.35Å; Y208-H212 PolarHBondContact O-CD2 3.41Å; Y208-H212 PolarHBondContact O-N 3.01Å; Y208-H212 PolarHBondContact OH-CE1 3.11Å; G209-H212 PolarHBondContact O-N 3.08Å; L210-H212 VanDerWaalsContact C-N 3.3Å; L210-H212 PolarHBondContact O-N 2.92Å; H212-V214 VanDerWaalsContact C-N 3.35Å; H212-F215 PolarHBondContact O-N 3.15Å; H212-Y216 VanDerWaalsContact O-CB 3.25Å; H212-Y216 WeakPolarHBondContact O-CB 3.44Å; H212-Y216 PolarHBondContact O-N 3.27Å; H212-E275 IonicContact CD2-OE1 2.67Å; H212-E275 IonicContact NE2-OE1 3.65Å
213	Q	95.9	Very high	93.8	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-67.1	-41.9	174.5	-70.9	175.4	-32.8	0	0	110	W169 S199 D202 E205 G209 L210 T211 Y216 L217 L249	W169-Q213 HydrophobicContact CH2-CG 4.02Å; W169-Q213 HydrophobicContact CZ2-CB 4.35Å; W169-Q213 HydrophobicContact CZ2-CG 3.71Å; S199-Q213 PolarHBondContact O-NE2 3.48Å; D202-Q213 PolarHBondContact O-NE2 3.27Å; E205-Q213 HydrophobicContact CG-CG 4.46Å; E205-Q213 VanDerWaalsContact CG-NE2 3.29Å; G209-Q213 WeakPolarHBondContact O-CG 3.45Å; G209-Q213 PolarHBondContact O-N 3.42Å; L210-Q213 WeakPolarHBondContact O-CB 3.41Å; L210-Q213 PolarHBondContact O-N 3.18Å; L210-Q213 VanDerWaalsContact O-N 3.1Å; T211-Q213 VanDerWaalsContact C-N 3.31Å; T211-Q213 PolarHBondContact O-N 3.4Å; Q213-Y216 PolarHBondContact O-N 3.01Å; Q213-L217 WeakPolarHBondContact O-CG 3.36Å; Q213-L217 PolarHBondContact O-N 3.18Å; Q213-L217 VanDerWaalsContact O-N 3.13Å; Q213-L249 HydrophobicContact CB-CD1 3.76Å; Q213-L249 HydrophobicContact CB-CD2 4.18Å
214	V	97.9	Very high	94.1	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.006	8%	0.078	C	C	.	.	H	α-helix	trans	-58.9	-52.1	171.8	176.1	0	0	0	0	109.9	L210 T211 H212 Y216 L217 M218 L246 L249 V253 F279	L210-V214 PolarHBondContact O-N 3.29Å; T211-V214 WeakPolarHBondContact O-CB 3.48Å; T211-V214 PolarHBondContact O-N 2.89Å; H212-V214 VanDerWaalsContact C-N 3.35Å; V214-Y216 VanDerWaalsContact C-N 3.35Å; V214-Y216 PolarHBondContact O-N 3.42Å; V214-L217 PolarHBondContact O-N 2.96Å; V214-M218 HydrophobicContact CG1-CG 4.4Å; V214-M218 HydrophobicContact CG1-SD 3.89Å; V214-M218 VanDerWaalsContact O-CG 3.31Å; V214-M218 WeakPolarHBondContact O-CG 3.34Å; V214-M218 PolarHBondContact O-N 3.06Å; V214-L246 HydrophobicContact CB-CD1 4.42Å; V214-L246 HydrophobicContact CG1-CD1 3.91Å; V214-L249 HydrophobicContact CG2-CB 3.63Å; V214-L249 HydrophobicContact CG2-CD1 4.35Å; V214-V253 HydrophobicContact CG2-CG2 4Å; V214-F279 HydrophobicContact CG1-CB 4.12Å
215	F	96.9	Very high	94.6	Very high	11 Å²	11	14 Å²	14	5%	0.048	7%	0.071	C	C	.	.	H	α-helix	trans	-58.1	-45	-179.8	-177.3	-130	0	0	0	112.4	L79 L139 W145 L178 T211 H212 L217 M218 I219 F279	L79-F215 HydrophobicContact CD2-CZ 4.37Å; L139-F215 HydrophobicContact CD1-CE1 4.35Å; L139-F215 HydrophobicContact CD1-CZ 3.9Å; L139-F215 HydrophobicContact CD2-CZ 4.36Å; W145-F215 AromaticContact CH2-CE2 3.91Å; W145-F215 HydrophobicContact CH2-CE2 3.91Å; W145-F215 HydrophobicContact CZ2-CE2 4.31Å; L178-F215 HydrophobicContact CD1-CD1 3.96Å; L178-F215 HydrophobicContact CD1-CE1 3.43Å; L178-F215 VanDerWaalsContact CD1-CE1 3.43Å; L178-F215 HydrophobicContact CD1-CZ 4.3Å; L178-F215 HydrophobicContact CD2-CD1 4.34Å; L178-F215 HydrophobicContact CD2-CE1 4.31Å; T211-F215 PolarHBondContact O-N 3.34Å; H212-F215 PolarHBondContact O-N 3.15Å; F215-L217 PolarHBondContact O-N 2.65Å; F215-M218 WeakPolarHBondContact O-CB 3.45Å; F215-M218 PolarHBondContact O-N 2.74Å; F215-M218 VanDerWaalsContact O-N 3.16Å; F215-I219 HydrophobicContact CD2-CD1 4.21Å; F215-I219 HydrophobicContact CD2-CG1 4.01Å; F215-I219 HydrophobicContact CE1-CG1 4.44Å; F215-I219 HydrophobicContact CE2-CD1 3.62Å; F215-I219 HydrophobicContact CE2-CG1 3.66Å; F215-I219 HydrophobicContact CZ-CD1 4.12Å; F215-I219 HydrophobicContact CZ-CG1 3.9Å; F215-I219 WeakPolarHBondContact O-CG1 3.29Å; F215-I219 PolarHBondContact O-N 3.09Å; F215-F279 HydrophobicContact CB-CD2 4.12Å; F215-F279 HydrophobicContact CB-CE2 3.96Å; F215-F279 HydrophobicContact CB-CZ 4.4Å; F215-F279 HydrophobicContact CD2-CD1 4.18Å; F215-F279 HydrophobicContact CD2-CD2 4.5Å; F215-F279 AromaticContact CD2-CE1 3.65Å; F215-F279 HydrophobicContact CD2-CE1 3.65Å; F215-F279 AromaticContact CD2-CE2 3.98Å; F215-F279 HydrophobicContact CD2-CE2 3.98Å; F215-F279 AromaticContact CD2-CZ 3.54Å; F215-F279 HydrophobicContact CD2-CZ 3.54Å; F215-F279 AromaticContact CE2-CE1 3.93Å; F215-F279 HydrophobicContact CE2-CE1 3.93Å; F215-F279 AromaticContact CE2-CZ 3.86Å; F215-F279 HydrophobicContact CE2-CZ 3.86Å; F215-F279 HydrophobicContact CG-CE1 4.47Å; F215-F279 AromaticContact CG-CE2 3.99Å; F215-F279 HydrophobicContact CG-CE2 3.99Å; F215-F279 AromaticContact CG-CZ 3.97Å; F215-F279 HydrophobicContact CG-CZ 3.97Å
216	Y	97.4	Very high	94.7	Very high	1 Å²	1	15.5 Å²	15.5	0%	0.004	8%	0.081	C	C	.	.	H	α-helix	trans	-58.1	-48.6	177.5	179.2	-94.9	0	0	0	112.6	W169 C177 L178 F181 I192 W197 A200 H212 Q213 V214 M218 I219 G220 L229	W169-Y216 HydrophobicContact CH2-CG 4.25Å; W169-Y216 HydrophobicContact CZ3-CD2 4.49Å; W169-Y216 HydrophobicContact CZ3-CG 4.44Å; C177-Y216 HydrophobicContact CB-CD2 4.14Å; C177-Y216 HydrophobicContact CB-CE2 3.73Å; L178-Y216 HydrophobicContact CD2-CD2 4.04Å; F181-Y216 HydrophobicContact CE1-CE1 4.37Å; F181-Y216 HydrophobicContact CE1-CE2 4.35Å; F181-Y216 AromaticContact CE1-CZ 3.93Å; F181-Y216 AromaticContact CE2-CD2 3.78Å; F181-Y216 HydrophobicContact CE2-CD2 3.78Å; F181-Y216 HydrophobicContact CE2-CE1 4.42Å; F181-Y216 AromaticContact CE2-CE2 3.54Å; F181-Y216 HydrophobicContact CE2-CE2 3.54Å; F181-Y216 HydrophobicContact CE2-CG 4.3Å; F181-Y216 AromaticContact CE2-CZ 3.9Å; F181-Y216 WeakPolarHBondContact CE2-O 3.46Å; F181-Y216 HydrophobicContact CZ-CD1 4.04Å; F181-Y216 AromaticContact CZ-CD2 3.91Å; F181-Y216 HydrophobicContact CZ-CD2 3.91Å; F181-Y216 AromaticContact CZ-CE1 3.59Å; F181-Y216 HydrophobicContact CZ-CE1 3.59Å; F181-Y216 AromaticContact CZ-CE2 3.41Å; F181-Y216 HydrophobicContact CZ-CE2 3.41Å; F181-Y216 VanDerWaalsContact CZ-CE2 3.41Å; F181-Y216 HydrophobicContact CZ-CG 4.2Å; F181-Y216 AromaticContact CZ-CZ 3.24Å; F181-Y216 WeakPolarHBondContact CZ-O 3.41Å; I192-Y216 VanDerWaalsContact CG2-OH 3.25Å; I192-Y216 WeakPolarHBondContact CG2-OH 3.43Å; W197-Y216 HydrophobicContact CE3-CE1 4.48Å; A200-Y216 HydrophobicContact CB-CD1 3.48Å; A200-Y216 VanDerWaalsContact CB-CD1 3.48Å; A200-Y216 HydrophobicContact CB-CE1 3.61Å; A200-Y216 HydrophobicContact CB-CG 4.26Å; H212-Y216 VanDerWaalsContact O-CB 3.25Å; H212-Y216 WeakPolarHBondContact O-CB 3.44Å; H212-Y216 PolarHBondContact O-N 3.27Å; Q213-Y216 PolarHBondContact O-N 3.01Å; V214-Y216 VanDerWaalsContact C-N 3.35Å; V214-Y216 PolarHBondContact O-N 3.42Å; Y216-M218 VanDerWaalsContact C-N 3.29Å; Y216-M218 PolarHBondContact O-N 2.93Å; Y216-I219 PolarHBondContact O-N 3.29Å; Y216-G220 PolarHBondContact O-N 3.46Å; Y216-L229 HydrophobicContact CE1-CD2 4.4Å
217	L	97.1	Very high	94.9	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-63.9	-37.6	176.7	-67.4	-178.3	0	0	0	111.8	W197 Q213 V214 F215 G220 K221 L229 Y245 L246 L249	W197-L217 HydrophobicContact CZ3-CD2 4.34Å; Q213-L217 WeakPolarHBondContact O-CG 3.36Å; Q213-L217 PolarHBondContact O-N 3.18Å; Q213-L217 VanDerWaalsContact O-N 3.13Å; V214-L217 PolarHBondContact O-N 2.96Å; F215-L217 PolarHBondContact O-N 2.65Å; L217-G220 PolarHBondContact O-N 3.39Å; L217-K221 PolarHBondContact O-N 2.95Å; L217-L229 HydrophobicContact CD2-CD1 4.39Å; L217-L229 HydrophobicContact CD2-CD2 4.18Å; L217-Y245 HydrophobicContact CD1-CD1 3.42Å; L217-Y245 VanDerWaalsContact CD1-CD1 3.42Å; L217-Y245 HydrophobicContact CD1-CE1 3.81Å; L217-Y245 HydrophobicContact CD1-CG 4.39Å; L217-Y245 HydrophobicContact CD2-CD1 4.4Å; L217-Y245 HydrophobicContact CG-CD1 4.48Å; L217-L246 HydrophobicContact CB-CD1 4.14Å; L217-L246 HydrophobicContact CD1-CD1 4.19Å; L217-L249 HydrophobicContact CD1-CD1 3.54Å; L217-L249 HydrophobicContact CG-CD1 4.44Å
218	M	97.5	Very high	95.1	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-62.4	-47.8	176.6	-72	174.7	70.8	0	0	111.5	W145 Y149 V214 F215 Y216 G220 K221 Q222 F279 L282 A283	W145-M218 HydrophobicContact CZ3-CE 4.39Å; Y149-M218 HydrophobicContact CE1-CG 4.41Å; Y149-M218 HydrophobicContact CE2-CB 4.46Å; Y149-M218 HydrophobicContact CE2-CE 4.03Å; Y149-M218 HydrophobicContact CE2-CG 4.25Å; Y149-M218 VanDerWaalsContact OH-C 3.23Å; Y149-M218 WeakPolarHBondContact OH-CA 3.48Å; Y149-M218 PolarHBondContact OH-O 2.82Å; V214-M218 HydrophobicContact CG1-CG 4.4Å; V214-M218 HydrophobicContact CG1-SD 3.89Å; V214-M218 VanDerWaalsContact O-CG 3.31Å; V214-M218 WeakPolarHBondContact O-CG 3.34Å; V214-M218 PolarHBondContact O-N 3.06Å; F215-M218 WeakPolarHBondContact O-CB 3.45Å; F215-M218 PolarHBondContact O-N 2.74Å; F215-M218 VanDerWaalsContact O-N 3.16Å; Y216-M218 VanDerWaalsContact C-N 3.29Å; Y216-M218 PolarHBondContact O-N 2.93Å; M218-G220 VanDerWaalsContact C-N 3.33Å; M218-G220 PolarHBondContact O-N 2.97Å; M218-K221 PolarHBondContact O-N 3.23Å; M218-Q222 WeakPolarHBondContact O-CG 3.24Å; M218-Q222 PolarHBondContact O-N 2.99Å; M218-F279 HydrophobicContact SD-CB 4.01Å; M218-F279 HydrophobicContact SD-CD1 4.48Å; M218-L282 HydrophobicContact CE-CB 3.91Å; M218-A283 HydrophobicContact CE-CB 4.42Å; M218-A283 HydrophobicContact CG-CB 4.36Å; M218-A283 HydrophobicContact SD-CB 4.01Å
219	I	96.9	Very high	95.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66	-38.9	179.2	-61.4	-46.1	0	0	0	111.2	F138 L139 L144 W145 L178 F181 F215 Y216 K221 Q222 S223	F138-I219 HydrophobicContact CE2-CG2 3.87Å; F138-I219 HydrophobicContact CZ-CG2 4.07Å; L139-I219 HydrophobicContact CD2-CD1 3.75Å; L139-I219 HydrophobicContact CD2-CG1 3.88Å; L139-I219 HydrophobicContact CD2-CG2 3.98Å; L144-I219 HydrophobicContact CD2-CD1 4.05Å; W145-I219 HydrophobicContact CH2-CD1 3.77Å; W145-I219 HydrophobicContact CZ2-CD1 3.83Å; L178-I219 HydrophobicContact CD2-CB 3.8Å; L178-I219 HydrophobicContact CD2-CG1 3.84Å; L178-I219 HydrophobicContact CD2-CG2 4.1Å; F181-I219 HydrophobicContact CD2-CB 4.32Å; F181-I219 HydrophobicContact CD2-CG2 3.8Å; F181-I219 HydrophobicContact CE2-CB 4.27Å; F181-I219 HydrophobicContact CE2-CG2 4.25Å; F215-I219 HydrophobicContact CD2-CD1 4.21Å; F215-I219 HydrophobicContact CD2-CG1 4.01Å; F215-I219 HydrophobicContact CE1-CG1 4.44Å; F215-I219 HydrophobicContact CE2-CD1 3.62Å; F215-I219 HydrophobicContact CE2-CG1 3.66Å; F215-I219 HydrophobicContact CZ-CD1 4.12Å; F215-I219 HydrophobicContact CZ-CG1 3.9Å; F215-I219 WeakPolarHBondContact O-CG1 3.29Å; F215-I219 PolarHBondContact O-N 3.09Å; Y216-I219 PolarHBondContact O-N 3.29Å; I219-K221 PolarHBondContact O-N 3.18Å; I219-Q222 PolarHBondContact O-N 2.92Å; I219-S223 VanDerWaalsContact O-CB 3.22Å; I219-S223 WeakPolarHBondContact O-CB 3.32Å; I219-S223 PolarHBondContact O-N 2.82Å; I219-S223 PolarHBondContact O-OG 3.11Å
220	G	96.5	Very high	95.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.3	-44.8	176	0	0	0	0	0	112.7	F181 Y216 L217 M218 S223 C225	F181-G220 VanDerWaalsContact CE1-CA 3.43Å; Y216-G220 PolarHBondContact O-N 3.46Å; L217-G220 PolarHBondContact O-N 3.39Å; M218-G220 VanDerWaalsContact C-N 3.33Å; M218-G220 PolarHBondContact O-N 2.97Å; G220-S223 PolarHBondContact O-N 3.25Å; G220-C225 WeakPolarHBondContact O-CA 3.35Å; G220-C225 WeakPolarHBondContact O-CB 3.34Å; G220-C225 PolarHBondContact O-N 3.49Å
221	K	95.5	Very high	95.6	Very high	47 Å²	47	31.5 Å²	31.5	20%	0.204	15%	0.154	C	C	.	.	H	α-helix	trans	-64.7	-44.9	175.6	176.5	144.4	174.8	162	0	112.1	Y149 L217 M218 I219 S223 N224 S226 E243	Y149-K221 HydrophobicContact CD1-CD 4.34Å; Y149-K221 HydrophobicContact CE1-CB 4.16Å; Y149-K221 HydrophobicContact CE1-CD 3.75Å; Y149-K221 HydrophobicContact CE1-CG 3.95Å; L217-K221 PolarHBondContact O-N 2.95Å; M218-K221 PolarHBondContact O-N 3.23Å; I219-K221 PolarHBondContact O-N 3.18Å; K221-S223 PolarHBondContact O-N 3.32Å; K221-N224 PolarHBondContact O-N 3.21Å; K221-N224 VanDerWaalsContact O-N 3.1Å; K221-S226 WeakPolarHBondContact CG-OG 3.35Å; K221-E243 IonicContact NZ-OE1 2.82Å; K221-E243 PolarHBondContact NZ-OE1 3.44Å
222	Q	94.3	Very high	95.6	Very high	26 Å²	26	33.1 Å²	33.1	12%	0.121	16%	0.163	C	C	.	.	H	α-helix	trans	-65.9	-23.1	177.3	-68.9	-72.6	19.1	0	0	113.4	L144 S147 M218 I219 N224	L144-Q222 HydrophobicContact CD1-CB 3.63Å; L144-Q222 HydrophobicContact CG-CB 4Å; L144-Q222 WeakPolarHBondContact O-CB 3.41Å; L144-Q222 WeakPolarHBondContact O-CG 3.48Å; L144-Q222 PolarHBondContact O-NE2 2.73Å; L144-Q222 PolarHBondContact O-OE1 3.37Å; S147-Q222 PolarHBondContact O-NE2 3.24Å; S147-Q222 VanDerWaalsContact OG-CD 3.23Å; S147-Q222 PolarHBondContact OG-NE2 2.8Å; S147-Q222 VanDerWaalsContact OG-NE2 3.16Å; S147-Q222 PolarHBondContact OG-OE1 2.55Å; M218-Q222 WeakPolarHBondContact O-CG 3.24Å; M218-Q222 PolarHBondContact O-N 2.99Å; I219-Q222 PolarHBondContact O-N 2.92Å; Q222-N224 VanDerWaalsContact C-N 3.25Å; Q222-N224 PolarHBondContact O-N 3.03Å
223	S	94.4	Very high	95.5	Very high	18 Å²	18	32.3 Å²	32.3	13%	0.126	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	14.5	176.3	-60.6	0	0	0	0	113	I219 G220 K221 C225	I219-S223 VanDerWaalsContact O-CB 3.22Å; I219-S223 WeakPolarHBondContact O-CB 3.32Å; I219-S223 PolarHBondContact O-N 2.82Å; I219-S223 PolarHBondContact O-OG 3.11Å; G220-S223 PolarHBondContact O-N 3.25Å; K221-S223 PolarHBondContact O-N 3.32Å; S223-C225 VanDerWaalsContact C-N 3.3Å; S223-C225 PolarHBondContact O-N 3.09Å
224	N	93.4	Very high	95.4	Very high	125 Å²	125	38.6 Å²	38.6	67%	0.668	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	37.8	-177.8	-58.1	-49.3	0	0	0	113	K221 Q222	K221-N224 PolarHBondContact O-N 3.21Å; K221-N224 VanDerWaalsContact O-N 3.1Å; Q222-N224 VanDerWaalsContact C-N 3.25Å; Q222-N224 PolarHBondContact O-N 3.03Å
225	C	95.9	Very high	94.9	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.007	22%	0.215	C	C	.	.			trans	-104	12.2	176.7	-57.3	0	0	0	0	113.6	F181 C190 G220 S223 E227 T228 L229	F181-C225 HydrophobicContact CD1-CB 3.98Å; F181-C225 VanDerWaalsContact CD1-SG 3.59Å; F181-C225 HydrophobicContact CE1-CB 4.3Å; C190-C225 HydrophobicContact CB-CB 3.65Å; C190-C225 WeakPolarHBondContact CB-SG 3.46Å; C190-C225 WeakPolarHBondContact SG-CA 3.31Å; C190-C225 WeakPolarHBondContact SG-CB 3.4Å; C190-C225 CovalentContact SG-SG 2.02Å; C190-C225 PolarHBondContact SG-SG 3.2Å; G220-C225 WeakPolarHBondContact O-CA 3.35Å; G220-C225 WeakPolarHBondContact O-CB 3.34Å; G220-C225 PolarHBondContact O-N 3.49Å; S223-C225 VanDerWaalsContact C-N 3.3Å; S223-C225 PolarHBondContact O-N 3.09Å; C225-E227 VanDerWaalsContact C-N 3.33Å; C225-E227 PolarHBondContact O-N 3.13Å; C225-T228 WeakPolarHBondContact O-CB 3.36Å; C225-T228 PolarHBondContact O-N 2.71Å; C225-T228 VanDerWaalsContact O-N 3.12Å; C225-L229 WeakPolarHBondContact O-CG 3.48Å; C225-L229 PolarHBondContact O-N 2.88Å
226	S	93.5	Very high	94.4	Very high	34 Å²	34	48.4 Å²	48.4	24%	0.238	23%	0.233	C	C	.	.	H	α-helix	trans	-55.2	-43.1	-176.2	-54.3	0	0	0	0	113.2	K221 T228 L229 D230	K221-S226 WeakPolarHBondContact CG-OG 3.35Å; S226-T228 PolarHBondContact O-N 3.2Å; S226-L229 PolarHBondContact O-N 3.34Å; S226-D230 WeakPolarHBondContact O-CB 3.43Å; S226-D230 PolarHBondContact O-N 3.25Å
227	E	93.9	Very high	93.7	Very high	172 Å²	172	50.2 Å²	50.2	80%	0.804	24%	0.241	S	C	*	.	H	α-helix	trans	-64.4	-39.7	178.8	-65.6	-173.6	177.9	0	0	112.2	C225 Y231	C225-E227 VanDerWaalsContact C-N 3.33Å; C225-E227 PolarHBondContact O-N 3.13Å; E227-Y231 WeakPolarHBondContact O-CB 3.26Å; E227-Y231 PolarHBondContact O-N 3.18Å
228	T	95.6	Very high	92.9	Very high	17 Å²	17	55.1 Å²	55.1	10%	0.104	27%	0.273	C	S	.	.	H	α-helix	trans	-64.1	-44.5	174.3	-58.7	0	0	0	0	110.7	C190 I192 C225 S226 Y231 L232	C190-T228 HydrophobicContact CB-CG2 4.4Å; C190-T228 PolarHBondContact N-OG1 2.84Å; C190-T228 WeakPolarHBondContact O-CG2 3.37Å; I192-T228 HydrophobicContact CD1-CG2 3.83Å; I192-T228 HydrophobicContact CG1-CG2 4.32Å; C225-T228 WeakPolarHBondContact O-CB 3.36Å; C225-T228 PolarHBondContact O-N 2.71Å; C225-T228 VanDerWaalsContact O-N 3.12Å; S226-T228 PolarHBondContact O-N 3.2Å; T228-Y231 PolarHBondContact O-N 3.06Å; T228-L232 HydrophobicContact CG2-CD1 4.14Å; T228-L232 HydrophobicContact CG2-CG 4.44Å; T228-L232 WeakPolarHBondContact O-CG 3.25Å; T228-L232 PolarHBondContact O-N 3.42Å
229	L	96.1	Very high	92.3	Very high	0 Å²	0	66 Å²	66	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.8	-47.2	178.7	-67.2	172.5	0	0	0	111.2	F181 I192 W197 Y216 L217 C225 S226 Y231 L232 L233 T242	F181-L229 HydrophobicContact CE1-CD2 4.37Å; I192-L229 HydrophobicContact CD1-CD2 3.66Å; I192-L229 HydrophobicContact CD1-CG 4.39Å; W197-L229 HydrophobicContact CE3-CD2 4.46Å; W197-L229 HydrophobicContact CH2-CD2 4.42Å; W197-L229 HydrophobicContact CZ3-CD2 3.71Å; Y216-L229 HydrophobicContact CE1-CD2 4.4Å; L217-L229 HydrophobicContact CD2-CD1 4.39Å; L217-L229 HydrophobicContact CD2-CD2 4.18Å; C225-L229 WeakPolarHBondContact O-CG 3.48Å; C225-L229 PolarHBondContact O-N 2.88Å; S226-L229 PolarHBondContact O-N 3.34Å; L229-Y231 VanDerWaalsContact C-N 3.3Å; L229-Y231 PolarHBondContact O-N 3.18Å; L229-L232 PolarHBondContact O-N 3Å; L229-L233 WeakPolarHBondContact O-CB 3.37Å; L229-L233 WeakPolarHBondContact O-CG 3.28Å; L229-L233 PolarHBondContact O-N 3.21Å; L229-T242 HydrophobicContact CB-CG2 4.45Å; L229-T242 WeakPolarHBondContact CB-OG1 3.21Å; L229-T242 HydrophobicContact CD1-CG2 4.12Å
230	D	95.6	Very high	92	Very high	54 Å²	54	67.9 Å²	67.9	29%	0.289	32%	0.324	S	S	.	.	H	α-helix	trans	-62	-37.9	176.6	-73.2	-15.8	0	0	0	112	S226 K234 T242	S226-D230 WeakPolarHBondContact O-CB 3.43Å; S226-D230 PolarHBondContact O-N 3.25Å; D230-K234 WeakPolarHBondContact O-CG 3.29Å; D230-K234 PolarHBondContact O-N 2.92Å; D230-T242 VanDerWaalsContact OD1-CB 3.23Å; D230-T242 WeakPolarHBondContact OD1-CB 3.48Å; D230-T242 PolarHBondContact OD1-N 2.9Å; D230-T242 PolarHBondContact OD1-OG1 3.08Å
231	Y	93.7	Very high	91.9	Very high	133 Å²	133	70.6 Å²	70.6	52%	0.522	34%	0.338	S	S	.	.	H	α-helix	trans	-64	-45.8	174.3	175.7	-99.9	0	0	0	111.9	E227 T228 L229 K234 F235	E227-Y231 WeakPolarHBondContact O-CB 3.26Å; E227-Y231 PolarHBondContact O-N 3.18Å; T228-Y231 PolarHBondContact O-N 3.06Å; L229-Y231 VanDerWaalsContact C-N 3.3Å; L229-Y231 PolarHBondContact O-N 3.18Å; Y231-K234 WeakPolarHBondContact O-CB 3.37Å; Y231-K234 PolarHBondContact O-N 2.76Å; Y231-F235 HydrophobicContact CD1-CE2 4.06Å; Y231-F235 AromaticContact CE1-CE2 3.57Å; Y231-F235 HydrophobicContact CE1-CE2 3.57Å; Y231-F235 HydrophobicContact CE1-CZ 4.13Å; Y231-F235 HydrophobicContact CE2-CE2 4.09Å; Y231-F235 HydrophobicContact CE2-CZ 4.25Å; Y231-F235 AromaticContact CZ-CE2 3.58Å; Y231-F235 AromaticContact CZ-CZ 3.73Å; Y231-F235 WeakPolarHBondContact O-CD2 3.44Å; Y231-F235 WeakPolarHBondContact O-CE2 3.41Å
232	L	94.4	Very high	91.8	Very high	35 Å²	35	68.5 Å²	68.5	18%	0.183	33%	0.33	C	S	.	.	H	α-helix	trans	-67.9	-36	179.5	-68.9	176.3	0	0	0	112.4	I192 W197 T228 L229 K234 F235	I192-L232 HydrophobicContact CB-CD1 3.83Å; I192-L232 HydrophobicContact CD1-CD1 3.86Å; I192-L232 HydrophobicContact CG1-CD1 4.42Å; I192-L232 HydrophobicContact CG2-CD1 3.93Å; W197-L232 HydrophobicContact CD2-CB 3.89Å; W197-L232 HydrophobicContact CD2-CD1 3.97Å; W197-L232 VanDerWaalsContact CE2-CB 3.49Å; W197-L232 HydrophobicContact CE3-CB 4.41Å; W197-L232 HydrophobicContact CE3-CD1 4.11Å; W197-L232 HydrophobicContact CG-CB 4.38Å; W197-L232 HydrophobicContact CG-CD1 4.18Å; W197-L232 HydrophobicContact CH2-CB 4.27Å; W197-L232 HydrophobicContact CZ2-CB 3.7Å; T228-L232 HydrophobicContact CG2-CD1 4.14Å; T228-L232 HydrophobicContact CG2-CG 4.44Å; T228-L232 WeakPolarHBondContact O-CG 3.25Å; T228-L232 PolarHBondContact O-N 3.42Å; L229-L232 PolarHBondContact O-N 3Å; L232-K234 PolarHBondContact O-N 2.93Å; L232-F235 PolarHBondContact O-N 3.37Å; L232-F235 VanDerWaalsContact O-N 3.14Å
233	L	94.1	Very high	91.8	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-59.2	-33.4	175.6	-79.8	166.9	0	0	0	112.4	W197 L229 F235 N236 Q237 N241 Y245	W197-L233 HydrophobicContact CH2-CD1 4.49Å; W197-L233 HydrophobicContact CH2-CD2 3.76Å; W197-L233 HydrophobicContact CH2-CG 3.65Å; W197-L233 HydrophobicContact CZ2-CB 4.36Å; W197-L233 HydrophobicContact CZ2-CD2 3.66Å; W197-L233 HydrophobicContact CZ2-CG 3.67Å; L229-L233 WeakPolarHBondContact O-CB 3.37Å; L229-L233 WeakPolarHBondContact O-CG 3.28Å; L229-L233 PolarHBondContact O-N 3.21Å; L233-F235 PolarHBondContact O-N 3.11Å; L233-N236 PolarHBondContact O-N 2.83Å; L233-N236 VanDerWaalsContact O-N 3.08Å; L233-Q237 HydrophobicContact CD2-CB 4.29Å; L233-Q237 HydrophobicContact CD2-CG 4.49Å; L233-Q237 CarbonylContact O-C 3.41Å; L233-Q237 VanDerWaalsContact O-CA 3.31Å; L233-Q237 WeakPolarHBondContact O-CA 3.42Å; L233-Q237 PolarHBondContact O-N 3.19Å; L233-N241 VanDerWaalsContact CD1-C 3.48Å; L233-Y245 HydrophobicContact CD1-CD1 4.49Å; L233-Y245 HydrophobicContact CD2-CD1 3.69Å; L233-Y245 HydrophobicContact CD2-CD2 4.45Å; L233-Y245 HydrophobicContact CD2-CE1 4.31Å; L233-Y245 HydrophobicContact CD2-CG 3.82Å
234	K	92.1	Very high	91.8	Very high	134 Å²	134	74.9 Å²	74.9	58%	0.583	36%	0.357	S	S	*	.	H	α-helix	trans	-56.4	-25.6	177.6	-69.2	168.9	-173.8	176.1	0	113.8	D230 Y231 L232	D230-K234 WeakPolarHBondContact O-CG 3.29Å; D230-K234 PolarHBondContact O-N 2.92Å; Y231-K234 WeakPolarHBondContact O-CB 3.37Å; Y231-K234 PolarHBondContact O-N 2.76Å; L232-K234 PolarHBondContact O-N 2.93Å
235	F	88.9	Confident	91.9	Very high	138 Å²	138	68.9 Å²	68.9	61%	0.605	33%	0.325	S	S	*	.	H	α-helix	trans	-85	-25.1	-179.1	-63.2	-80.4	0	0	0	114.1	Y231 L232 L233	Y231-F235 HydrophobicContact CD1-CE2 4.06Å; Y231-F235 AromaticContact CE1-CE2 3.57Å; Y231-F235 HydrophobicContact CE1-CE2 3.57Å; Y231-F235 HydrophobicContact CE1-CZ 4.13Å; Y231-F235 HydrophobicContact CE2-CE2 4.09Å; Y231-F235 HydrophobicContact CE2-CZ 4.25Å; Y231-F235 AromaticContact CZ-CE2 3.58Å; Y231-F235 AromaticContact CZ-CZ 3.73Å; Y231-F235 WeakPolarHBondContact O-CD2 3.44Å; Y231-F235 WeakPolarHBondContact O-CE2 3.41Å; L232-F235 PolarHBondContact O-N 3.37Å; L232-F235 VanDerWaalsContact O-N 3.14Å; L233-F235 PolarHBondContact O-N 3.11Å
236	N	84.7	Confident	91.9	Very high	79 Å²	79	69.2 Å²	69.2	42%	0.422	33%	0.327	S	S	.	.	H	α-helix	trans	-111.7	-30.2	-177.3	-67.3	80.9	0	0	0	112.4	W197 L233	W197-N236 PolarHBondContact NE1-OD1 3.19Å; W197-N236 VanDerWaalsContact NE1-OD1 3.17Å; L233-N236 PolarHBondContact O-N 2.83Å; L233-N236 VanDerWaalsContact O-N 3.08Å
237	Q	83.1	Confident	92	Very high	39 Å²	39	69.5 Å²	69.5	18%	0.182	33%	0.325	C	S	.	.			trans	-141.4	72.5	-176.4	-67.3	-71.1	45.7	0	0	110.8	Y203 L233 R239 M240	Y203-Q237 WeakPolarHBondContact OH-CG 3.47Å; Y203-Q237 PolarHBondContact OH-NE2 2.86Å; L233-Q237 HydrophobicContact CD2-CB 4.29Å; L233-Q237 HydrophobicContact CD2-CG 4.49Å; L233-Q237 CarbonylContact O-C 3.41Å; L233-Q237 VanDerWaalsContact O-CA 3.31Å; L233-Q237 WeakPolarHBondContact O-CA 3.42Å; L233-Q237 PolarHBondContact O-N 3.19Å; Q237-R239 PolarHBondContact O-N 3.37Å; Q237-M240 HydrophobicContact CB-CB 4.05Å; Q237-M240 HydrophobicContact CB-CG 4.42Å; Q237-M240 HydrophobicContact CB-SD 4.42Å; Q237-M240 HydrophobicContact CG-SD 4.36Å; Q237-M240 PolarHBondContact O-N 3.43Å
238	P	80.6	Confident	92.1	Very high	104 Å²	104	62.5 Å²	62.5	68%	0.675	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-10.1	-172.9	24.7	-35.2	0	0	0	115.2
239	R	86	Confident	92.2	Very high	229 Å²	229	62 Å²	62	86%	0.864	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	7	-180	-61.6	-175.1	-179.5	173.4	0.3	113.7	Q237	Q237-R239 PolarHBondContact O-N 3.37Å
240	M	90.4	Very high	92.3	Very high	40 Å²	40	62 Å²	62	20%	0.197	29%	0.288	C	S	.	.			trans	-126.2	137	-179.2	-63.7	179.7	177.5	0	0	111.1	Q237 E244 Y245	Q237-M240 HydrophobicContact CB-CB 4.05Å; Q237-M240 HydrophobicContact CB-CG 4.42Å; Q237-M240 HydrophobicContact CB-SD 4.42Å; Q237-M240 HydrophobicContact CG-SD 4.36Å; Q237-M240 PolarHBondContact O-N 3.43Å; M240-E244 VanDerWaalsContact CA-OE2 3.25Å; M240-E244 WeakPolarHBondContact CA-OE2 2.84Å; M240-E244 HydrophobicContact CB-CB 4.07Å; M240-E244 HydrophobicContact CG-CB 4.19Å; M240-Y245 HydrophobicContact SD-CD2 4.27Å
241	N	93.3	Very high	92.3	Very high	57 Å²	57	59.4 Å²	59.4	31%	0.305	28%	0.275	S	S	.	.			trans	-89.9	179.8	158.8	68.7	34.7	0	0	0	110.8	L233 E243 E244 Y245	L233-N241 VanDerWaalsContact CD1-C 3.48Å; N241-E243 VanDerWaalsContact C-N 3.27Å; N241-E243 PolarHBondContact O-N 3.31Å; N241-E243 WeakPolarHBondContact OD1-CA 3.45Å; N241-E243 WeakPolarHBondContact OD1-CB 3.32Å; N241-E243 PolarHBondContact OD1-N 2.86Å; N241-E244 PolarHBondContact N-OE2 3.25Å; N241-E244 PolarHBondContact O-N 3.02Å; N241-E244 PolarHBondContact OD1-N 3.14Å; N241-Y245 WeakPolarHBondContact O-CB 3.48Å; N241-Y245 PolarHBondContact O-N 2.83Å
242	T	93.7	Very high	92.5	Very high	4 Å²	4	53.1 Å²	53.1	3%	0.025	25%	0.25	C	C	.	.	H	α-helix	trans	-60	-34.9	-178.8	-58.8	0	0	0	0	112.6	L229 D230 L246	L229-T242 HydrophobicContact CB-CG2 4.45Å; L229-T242 WeakPolarHBondContact CB-OG1 3.21Å; L229-T242 HydrophobicContact CD1-CG2 4.12Å; D230-T242 VanDerWaalsContact OD1-CB 3.23Å; D230-T242 WeakPolarHBondContact OD1-CB 3.48Å; D230-T242 PolarHBondContact OD1-N 2.9Å; D230-T242 PolarHBondContact OD1-OG1 3.08Å; T242-L246 VanDerWaalsContact O-CB 3.24Å; T242-L246 WeakPolarHBondContact O-CB 3.46Å; T242-L246 PolarHBondContact O-N 2.94Å
243	E	93.9	Very high	92.6	Very high	92 Å²	92	51.4 Å²	51.4	43%	0.43	24%	0.241	S	C	.	.	H	α-helix	trans	-72.9	-42	-179.9	-59.6	-175.3	163.7	0	0	111.9	K221 N241 Y245 L246 Q247	K221-E243 IonicContact NZ-OE1 2.82Å; K221-E243 PolarHBondContact NZ-OE1 3.44Å; N241-E243 VanDerWaalsContact C-N 3.27Å; N241-E243 PolarHBondContact O-N 3.31Å; N241-E243 WeakPolarHBondContact OD1-CA 3.45Å; N241-E243 WeakPolarHBondContact OD1-CB 3.32Å; N241-E243 PolarHBondContact OD1-N 2.86Å; E243-Y245 VanDerWaalsContact C-N 3.34Å; E243-L246 PolarHBondContact O-N 3.15Å; E243-Q247 PolarHBondContact O-N 2.95Å
244	E	94.2	Very high	92.7	Very high	85 Å²	85	51.5 Å²	51.5	40%	0.397	24%	0.241	S	C	.	.	H	α-helix	trans	-66.3	-38.1	174.9	-68	167.7	139.7	0	0	111.2	M240 N241 Q247 Q248	M240-E244 VanDerWaalsContact CA-OE2 3.25Å; M240-E244 WeakPolarHBondContact CA-OE2 2.84Å; M240-E244 HydrophobicContact CB-CB 4.07Å; M240-E244 HydrophobicContact CG-CB 4.19Å; N241-E244 PolarHBondContact N-OE2 3.25Å; N241-E244 PolarHBondContact O-N 3.02Å; N241-E244 PolarHBondContact OD1-N 3.14Å; E244-Q247 WeakPolarHBondContact O-CB 3.27Å; E244-Q247 PolarHBondContact O-N 2.9Å; E244-Q248 PolarHBondContact O-N 3.11Å
245	Y	95.7	Very high	92.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-69.7	-39.9	175.5	-171.1	-126.7	0	0	0	111.7	A200 T201 Y203 L217 L233 M240 N241 E243 Q247 Q248 L249	A200-Y245 PolarHBondContact O-OH 3.35Å; T201-Y245 WeakPolarHBondContact CA-OH 3.43Å; T201-Y245 HydrophobicContact CG2-CE1 4.1Å; Y203-Y245 HydrophobicContact CE1-CE2 4.04Å; L217-Y245 HydrophobicContact CD1-CD1 3.42Å; L217-Y245 VanDerWaalsContact CD1-CD1 3.42Å; L217-Y245 HydrophobicContact CD1-CE1 3.81Å; L217-Y245 HydrophobicContact CD1-CG 4.39Å; L217-Y245 HydrophobicContact CD2-CD1 4.4Å; L217-Y245 HydrophobicContact CG-CD1 4.48Å; L233-Y245 HydrophobicContact CD1-CD1 4.49Å; L233-Y245 HydrophobicContact CD2-CD1 3.69Å; L233-Y245 HydrophobicContact CD2-CD2 4.45Å; L233-Y245 HydrophobicContact CD2-CE1 4.31Å; L233-Y245 HydrophobicContact CD2-CG 3.82Å; M240-Y245 HydrophobicContact SD-CD2 4.27Å; N241-Y245 WeakPolarHBondContact O-CB 3.48Å; N241-Y245 PolarHBondContact O-N 2.83Å; E243-Y245 VanDerWaalsContact C-N 3.34Å; Y245-Q247 VanDerWaalsContact C-N 3.3Å; Y245-Q247 PolarHBondContact O-N 3.38Å; Y245-Q248 WeakPolarHBondContact O-CB 3.26Å; Y245-Q248 PolarHBondContact O-N 2.87Å; Y245-Q248 VanDerWaalsContact O-N 3.16Å; Y245-L249 HydrophobicContact CD1-CD1 4.3Å; Y245-L249 HydrophobicContact CE1-CD1 3.88Å; Y245-L249 HydrophobicContact CE1-CG 4.33Å; Y245-L249 HydrophobicContact CE2-CD2 4.29Å; Y245-L249 HydrophobicContact CE2-CG 4.35Å; Y245-L249 WeakPolarHBondContact O-CG 3.24Å; Y245-L249 PolarHBondContact O-N 3.39Å
246	L	96.3	Very high	93.2	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.037	19%	0.185	C	C	.	.	H	α-helix	trans	-62.2	-37.2	172.4	-166.7	64.5	0	0	0	111.8	Y149 V214 L217 T242 E243 L249 C250 A283 F285	Y149-L246 HydrophobicContact CD1-CD2 3.93Å; Y149-L246 HydrophobicContact CE1-CD2 4.05Å; V214-L246 HydrophobicContact CB-CD1 4.42Å; V214-L246 HydrophobicContact CG1-CD1 3.91Å; L217-L246 HydrophobicContact CB-CD1 4.14Å; L217-L246 HydrophobicContact CD1-CD1 4.19Å; T242-L246 VanDerWaalsContact O-CB 3.24Å; T242-L246 WeakPolarHBondContact O-CB 3.46Å; T242-L246 PolarHBondContact O-N 2.94Å; E243-L246 PolarHBondContact O-N 3.15Å; L246-L249 PolarHBondContact O-N 3.38Å; L246-C250 WeakPolarHBondContact O-CB 3.4Å; L246-C250 PolarHBondContact O-N 2.84Å; L246-A283 HydrophobicContact CD2-CB 3.9Å; L246-A283 HydrophobicContact CG-CB 4.34Å; L246-F285 HydrophobicContact CD2-CE2 4.37Å; L246-F285 HydrophobicContact CG-CE2 4.04Å
247	Q	96.5	Very high	93.8	Very high	41 Å²	41	34.8 Å²	34.8	19%	0.192	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-44.1	171.9	176.4	-175.8	70.3	0	0	112	L153 N155 L158 E243 E244 Y245 T251 F285	L153-Q247 WeakPolarHBondContact O-CG 3.22Å; L153-Q247 PolarHBondContact O-NE2 3.13Å; N155-Q247 HydrophobicContact CB-CG 4.47Å; L158-Q247 HydrophobicContact CD1-CG 4.31Å; E243-Q247 PolarHBondContact O-N 2.95Å; E244-Q247 WeakPolarHBondContact O-CB 3.27Å; E244-Q247 PolarHBondContact O-N 2.9Å; Y245-Q247 VanDerWaalsContact C-N 3.3Å; Y245-Q247 PolarHBondContact O-N 3.38Å; Q247-T251 VanDerWaalsContact O-CB 3.3Å; Q247-T251 WeakPolarHBondContact O-CB 3.26Å; Q247-T251 PolarHBondContact O-N 3.27Å; Q247-T251 PolarHBondContact O-OG1 3Å; Q247-F285 HydrophobicContact CB-CE1 3.73Å; Q247-F285 HydrophobicContact CB-CZ 3.74Å; Q247-F285 HydrophobicContact CG-CE1 3.89Å; Q247-F285 HydrophobicContact CG-CZ 4.41Å
248	Q	95.5	Very high	94.4	Very high	24 Å²	24	34.7 Å²	34.7	11%	0.112	16%	0.164	C	C	.	.	H	α-helix	trans	-60	-50	175.4	177.2	167.2	56.5	0	0	111.1	L158 E244 Y245 T251 N252	L158-Q248 HydrophobicContact CB-CB 4.46Å; L158-Q248 HydrophobicContact CB-CG 4.24Å; L158-Q248 HydrophobicContact CD1-CB 4.12Å; E244-Q248 PolarHBondContact O-N 3.11Å; Y245-Q248 WeakPolarHBondContact O-CB 3.26Å; Y245-Q248 PolarHBondContact O-N 2.87Å; Y245-Q248 VanDerWaalsContact O-N 3.16Å; Q248-T251 PolarHBondContact O-N 3.15Å; Q248-N252 PolarHBondContact O-N 3.28Å; Q248-N252 PolarHBondContact O-ND2 3.43Å
249	L	96.5	Very high	95	Very high	7 Å²	7	29.8 Å²	29.8	4%	0.037	13%	0.133	C	C	.	.	H	α-helix	trans	-61.6	-49.2	-179.8	-64.7	177.3	0	0	0	111.6	L210 Q213 V214 L217 Y245 L246 T251 N252 V253	L210-L249 HydrophobicContact CD1-CD2 3.73Å; Q213-L249 HydrophobicContact CB-CD1 3.76Å; Q213-L249 HydrophobicContact CB-CD2 4.18Å; V214-L249 HydrophobicContact CG2-CB 3.63Å; V214-L249 HydrophobicContact CG2-CD1 4.35Å; L217-L249 HydrophobicContact CD1-CD1 3.54Å; L217-L249 HydrophobicContact CG-CD1 4.44Å; Y245-L249 HydrophobicContact CD1-CD1 4.3Å; Y245-L249 HydrophobicContact CE1-CD1 3.88Å; Y245-L249 HydrophobicContact CE1-CG 4.33Å; Y245-L249 HydrophobicContact CE2-CD2 4.29Å; Y245-L249 HydrophobicContact CE2-CG 4.35Å; Y245-L249 WeakPolarHBondContact O-CG 3.24Å; Y245-L249 PolarHBondContact O-N 3.39Å; L246-L249 PolarHBondContact O-N 3.38Å; L249-T251 VanDerWaalsContact C-N 3.29Å; L249-T251 PolarHBondContact O-N 3.07Å; L249-N252 PolarHBondContact O-N 3.31Å; L249-V253 WeakPolarHBondContact O-CG2 3.36Å; L249-V253 PolarHBondContact O-N 2.83Å
250	C	98.1	Very high	95.5	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-67.9	-26.7	-179.2	-82.8	0	0	0	0	114.1	L154 L246 A254 C280 F285	L154-C250 HydrophobicContact CD2-CB 4.27Å; L246-C250 WeakPolarHBondContact O-CB 3.4Å; L246-C250 PolarHBondContact O-N 2.84Å; C250-A254 VanDerWaalsContact O-CB 3.29Å; C250-A254 WeakPolarHBondContact O-CB 3.42Å; C250-A254 PolarHBondContact O-N 2.77Å; C250-C280 WeakPolarHBondContact CA-SG 3.34Å; C250-C280 HydrophobicContact CB-CB 3.79Å; C250-C280 WeakPolarHBondContact CB-SG 3.44Å; C250-C280 WeakPolarHBondContact SG-CA 3.42Å; C250-C280 WeakPolarHBondContact SG-CB 3.28Å; C250-C280 CovalentContact SG-SG 2.06Å; C250-C280 PolarHBondContact SG-SG 2.64Å; C250-F285 HydrophobicContact CB-CB 4.45Å; C250-F285 HydrophobicContact CB-CD1 4.45Å; C250-F285 HydrophobicContact CB-CD2 3.48Å; C250-F285 VanDerWaalsContact CB-CD2 3.48Å; C250-F285 HydrophobicContact CB-CE2 3.79Å; C250-F285 HydrophobicContact CB-CG 3.87Å; C250-F285 HydrophobicContact CB-CZ 4.39Å
251	T	97.4	Very high	95.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64	-44.4	168.8	-59.6	0	0	0	0	111.2	N155 Y156 V159 Q247 Q248 L249 A254 A255	N155-T251 PolarHBondContact N-OG1 2.85Å; N155-T251 WeakPolarHBondContact O-CG2 2.87Å; Y156-T251 HydrophobicContact CD1-CG2 3.76Å; Y156-T251 HydrophobicContact CE1-CG2 4.3Å; Y156-T251 HydrophobicContact CG-CG2 4.24Å; V159-T251 HydrophobicContact CG2-CG2 3.69Å; Q247-T251 VanDerWaalsContact O-CB 3.3Å; Q247-T251 WeakPolarHBondContact O-CB 3.26Å; Q247-T251 PolarHBondContact O-N 3.27Å; Q247-T251 PolarHBondContact O-OG1 3Å; Q248-T251 PolarHBondContact O-N 3.15Å; L249-T251 VanDerWaalsContact C-N 3.29Å; L249-T251 PolarHBondContact O-N 3.07Å; T251-A254 PolarHBondContact O-N 3.48Å; T251-A255 PolarHBondContact O-N 3.34Å
252	N	96.6	Very high	95.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-67.8	-41.1	178.2	-75	-79.3	0	0	0	111.5	L158 V159 H160 L210 Q248 L249 A254 A255 E256	L158-N252 PolarHBondContact O-ND2 3.36Å; L158-N252 VanDerWaalsContact O-ND2 3.13Å; V159-N252 VanDerWaalsContact CA-OD1 3.28Å; V159-N252 WeakPolarHBondContact CA-OD1 3.4Å; H160-N252 PolarHBondContact CD2-ND2 2.87Å; H160-N252 PolarHBondContact CD2-OD1 2.87Å; H160-N252 PolarHBondContact N-OD1 3.48Å; H160-N252 PolarHBondContact NE2-OD1 3.4Å; L210-N252 HydrophobicContact CD1-CB 4.35Å; L210-N252 HydrophobicContact CD2-CB 3.79Å; Q248-N252 PolarHBondContact O-N 3.28Å; Q248-N252 PolarHBondContact O-ND2 3.43Å; L249-N252 PolarHBondContact O-N 3.31Å; N252-A254 VanDerWaalsContact C-N 3.33Å; N252-A254 PolarHBondContact O-N 3.02Å; N252-A255 WeakPolarHBondContact O-CB 3.26Å; N252-A255 PolarHBondContact O-N 2.87Å; N252-A255 VanDerWaalsContact O-N 3.17Å; N252-E256 PolarHBondContact O-N 3.25Å
253	V	96.9	Very high	96	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-57.4	-45.6	171.6	168.3	0	0	0	0	111.2	L210 V214 L249 A255 E256 A257 Q276 I288	L210-V253 HydrophobicContact CD2-CG2 3.83Å; L210-V253 HydrophobicContact CG-CG2 3.7Å; V214-V253 HydrophobicContact CG2-CG2 4Å; L249-V253 WeakPolarHBondContact O-CG2 3.36Å; L249-V253 PolarHBondContact O-N 2.83Å; V253-A255 VanDerWaalsContact C-N 3.3Å; V253-A255 PolarHBondContact O-N 3.42Å; V253-E256 PolarHBondContact O-N 2.86Å; V253-A257 WeakPolarHBondContact O-CB 3.43Å; V253-A257 PolarHBondContact O-N 2.74Å; V253-Q276 HydrophobicContact CG1-CB 3.44Å; V253-Q276 VanDerWaalsContact CG1-CB 3.44Å; V253-Q276 HydrophobicContact CG1-CG 3.55Å; V253-I288 HydrophobicContact CG1-CD1 3.99Å
254	A	97.3	Very high	96.1	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-64.4	-34.4	178.4	0	0	0	0	0	112.6	L154 Y156 C250 T251 N252 Q258 I288	L154-A254 HydrophobicContact CD1-CB 3.51Å; L154-A254 HydrophobicContact CD2-CB 4.29Å; Y156-A254 HydrophobicContact CE1-CB 4.36Å; C250-A254 VanDerWaalsContact O-CB 3.29Å; C250-A254 WeakPolarHBondContact O-CB 3.42Å; C250-A254 PolarHBondContact O-N 2.77Å; T251-A254 PolarHBondContact O-N 3.48Å; N252-A254 VanDerWaalsContact C-N 3.33Å; N252-A254 PolarHBondContact O-N 3.02Å; A254-Q258 WeakPolarHBondContact O-CB 3.49Å; A254-Q258 PolarHBondContact O-N 3.44Å; A254-I288 HydrophobicContact CB-CD1 4.14Å; A254-I288 HydrophobicContact CB-CG1 4.27Å
255	A	95.9	Very high	96.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66	-42.5	173.7	0	0	0	0	0	111.8	L32 V159 F162 T251 N252 V253 Q258 I259	L32-A255 HydrophobicContact CD1-CB 4.11Å; V159-A255 HydrophobicContact CG1-CB 4.28Å; V159-A255 HydrophobicContact CG2-CB 4.06Å; F162-A255 HydrophobicContact CZ-CB 4.31Å; T251-A255 PolarHBondContact O-N 3.34Å; N252-A255 WeakPolarHBondContact O-CB 3.26Å; N252-A255 PolarHBondContact O-N 2.87Å; N252-A255 VanDerWaalsContact O-N 3.17Å; V253-A255 VanDerWaalsContact C-N 3.3Å; V253-A255 PolarHBondContact O-N 3.42Å; A255-Q258 PolarHBondContact O-N 3.03Å; A255-I259 PolarHBondContact O-N 3.05Å; A255-I259 VanDerWaalsContact O-N 3.16Å
256	E	94.5	Very high	96	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.5	-46.6	173.7	-70.4	-173.1	173.4	0	0	112.3	I22 F162 T206 E207 N252 V253 Q258 I259 I260 Q276	I22-E256 HydrophobicContact CD1-CB 4.04Å; I22-E256 HydrophobicContact CD1-CG 4.46Å; I22-E256 HydrophobicContact CG2-CB 4.37Å; I22-E256 HydrophobicContact CG2-CG 4.23Å; F162-E256 HydrophobicContact CE1-CG 3.78Å; F162-E256 HydrophobicContact CE2-CG 4.42Å; F162-E256 HydrophobicContact CZ-CG 3.62Å; T206-E256 WeakPolarHBondContact CA-OE1 3.2Å; T206-E256 WeakPolarHBondContact CB-OE1 3.33Å; T206-E256 WeakPolarHBondContact CG2-OE1 3.41Å; E207-E256 WeakPolarHBondContact CA-OE2 3.47Å; E207-E256 VanDerWaalsContact N-CD 3.27Å; E207-E256 PolarHBondContact N-OE1 3.2Å; E207-E256 PolarHBondContact N-OE2 2.74Å; N252-E256 PolarHBondContact O-N 3.25Å; V253-E256 PolarHBondContact O-N 2.86Å; E256-Q258 VanDerWaalsContact C-N 3.25Å; E256-Q258 PolarHBondContact O-N 2.99Å; E256-I259 WeakPolarHBondContact O-CB 3.37Å; E256-I259 PolarHBondContact O-N 3.47Å; E256-I260 WeakPolarHBondContact O-CG1 3.49Å; E256-I260 PolarHBondContact O-N 2.93Å; E256-Q276 PolarHBondContact OE2-NE2 2.65Å
257	A	96.7	Very high	95.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.2	-39.3	177	0	0	0	0	0	111.6	V253 I259 I260 A261 F273 W293	V253-A257 WeakPolarHBondContact O-CB 3.43Å; V253-A257 PolarHBondContact O-N 2.74Å; A257-I259 VanDerWaalsContact C-N 3.34Å; A257-I259 PolarHBondContact O-N 2.88Å; A257-I260 PolarHBondContact O-N 3.42Å; A257-A261 WeakPolarHBondContact O-CB 3.38Å; A257-A261 PolarHBondContact O-N 3.1Å; A257-F273 HydrophobicContact CB-CD2 4.01Å; A257-F273 HydrophobicContact CB-CE2 3.9Å; A257-W293 HydrophobicContact CB-CH2 3.88Å; A257-W293 HydrophobicContact CB-CZ3 3.85Å
258	Q	96	Very high	95.4	Very high	37 Å²	37	26.7 Å²	26.7	17%	0.173	15%	0.147	C	C	.	.	H	α-helix	trans	-63.4	-37.9	174.7	-175.6	63.6	48.6	0	0	112.2	L32 A254 A255 E256 A261 S262 W293	L32-Q258 HydrophobicContact CD2-CB 4.35Å; L32-Q258 HydrophobicContact CD2-CG 4.12Å; A254-Q258 WeakPolarHBondContact O-CB 3.49Å; A254-Q258 PolarHBondContact O-N 3.44Å; A255-Q258 PolarHBondContact O-N 3.03Å; E256-Q258 VanDerWaalsContact C-N 3.25Å; E256-Q258 PolarHBondContact O-N 2.99Å; Q258-A261 PolarHBondContact O-N 2.98Å; Q258-S262 WeakPolarHBondContact O-CB 3.46Å; Q258-S262 PolarHBondContact O-N 3.46Å; Q258-W293 HydrophobicContact CB-CH2 4.37Å; Q258-W293 HydrophobicContact CB-CZ2 4.39Å; Q258-W293 VanDerWaalsContact OE1-CZ2 3.32Å
259	I	94.3	Very high	95.2	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-67.2	-45.1	174.6	-65.7	165.4	0	0	0	110.8	I22 C24 T28 F162 A255 E256 A257 A261 S262 K263	I22-I259 HydrophobicContact CG2-CB 3.66Å; I22-I259 HydrophobicContact CG2-CD1 3.23Å; I22-I259 HydrophobicContact CG2-CG1 4.04Å; I22-I259 HydrophobicContact CG2-CG2 3.71Å; C24-I259 HydrophobicContact CB-CD1 4.05Å; C24-I259 WeakPolarHBondContact SG-CD1 3.45Å; T28-I259 HydrophobicContact CG2-CD1 4.38Å; T28-I259 HydrophobicContact CG2-CG1 3.83Å; F162-I259 HydrophobicContact CE2-CD1 3.94Å; A255-I259 PolarHBondContact O-N 3.05Å; A255-I259 VanDerWaalsContact O-N 3.16Å; E256-I259 WeakPolarHBondContact O-CB 3.37Å; E256-I259 PolarHBondContact O-N 3.47Å; A257-I259 VanDerWaalsContact C-N 3.34Å; A257-I259 PolarHBondContact O-N 2.88Å; I259-A261 VanDerWaalsContact C-N 3.26Å; I259-A261 PolarHBondContact O-N 3.16Å; I259-S262 WeakPolarHBondContact CA-OG 3.3Å; I259-S262 PolarHBondContact O-N 2.99Å; I259-S262 VanDerWaalsContact O-N 3.16Å; I259-S262 PolarHBondContact O-OG 3.38Å; I259-K263 HydrophobicContact CG2-CD 4.1Å; I259-K263 PolarHBondContact O-N 2.81Å
260	I	95.1	Very high	95.2	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.015	15%	0.153	C	C	.	.	H	α-helix	trans	-55.2	-46.8	175.7	-64.7	167.8	0	0	0	109.9	I22 E256 A257 K263 N264 F265 F269 L272 F273	I22-I260 HydrophobicContact CD1-CD1 3.73Å; I22-I260 HydrophobicContact CD1-CG1 3.52Å; I22-I260 HydrophobicContact CG1-CG1 4.32Å; E256-I260 WeakPolarHBondContact O-CG1 3.49Å; E256-I260 PolarHBondContact O-N 2.93Å; A257-I260 PolarHBondContact O-N 3.42Å; I260-K263 CarbonylContact O-C 3.58Å; I260-K263 PolarHBondContact O-N 2.9Å; I260-N264 PolarHBondContact O-N 2.7Å; I260-F265 HydrophobicContact CG2-CD1 4.26Å; I260-F265 WeakPolarHBondContact O-CA 3.36Å; I260-F265 PolarHBondContact O-N 3.49Å; I260-F269 HydrophobicContact CD1-CB 4.14Å; I260-F269 HydrophobicContact CD1-CD1 3.99Å; I260-F269 HydrophobicContact CD1-CG 4.44Å; I260-F269 HydrophobicContact CG1-CB 4.13Å; I260-F269 HydrophobicContact CG1-CD1 4.08Å; I260-F269 HydrophobicContact CG1-CG 4.28Å; I260-F269 HydrophobicContact CG2-CB 3.87Å; I260-L272 HydrophobicContact CD1-CD2 4.37Å; I260-F273 HydrophobicContact CB-CD2 4.09Å; I260-F273 HydrophobicContact CD1-CB 4.2Å; I260-F273 HydrophobicContact CD1-CD2 4.37Å; I260-F273 HydrophobicContact CG2-CB 4.11Å; I260-F273 HydrophobicContact CG2-CD2 3.93Å; I260-F273 HydrophobicContact CG2-CG 4.25Å
261	A	96.1	Very high	95	Very high	14 Å²	14	28.6 Å²	28.6	12%	0.116	15%	0.153	C	C	.	.	H	α-helix	trans	-62.2	-44.3	177.2	0	0	0	0	0	112.5	A257 Q258 I259 K263 N264 F265 W293	A257-A261 WeakPolarHBondContact O-CB 3.38Å; A257-A261 PolarHBondContact O-N 3.1Å; Q258-A261 PolarHBondContact O-N 2.98Å; I259-A261 VanDerWaalsContact C-N 3.26Å; I259-A261 PolarHBondContact O-N 3.16Å; A261-K263 PolarHBondContact O-N 3.11Å; A261-N264 WeakPolarHBondContact O-CA 3.06Å; A261-N264 PolarHBondContact O-N 3.03Å; A261-F265 HydrophobicContact CB-CD1 4.36Å; A261-F265 HydrophobicContact CB-CE1 3.53Å; A261-F265 HydrophobicContact CB-CE2 4.36Å; A261-F265 HydrophobicContact CB-CZ 3.53Å; A261-W293 HydrophobicContact CB-CZ2 3.74Å
262	S	96.3	Very high	94.9	Very high	80 Å²	80	29.1 Å²	29.1	56%	0.559	16%	0.156	S	C	*	.	H	α-helix	trans	-61.9	-29	178.6	77.6	0	0	0	0	113.2	Q258 I259 N264	Q258-S262 WeakPolarHBondContact O-CB 3.46Å; Q258-S262 PolarHBondContact O-N 3.46Å; I259-S262 WeakPolarHBondContact CA-OG 3.3Å; I259-S262 PolarHBondContact O-N 2.99Å; I259-S262 VanDerWaalsContact O-N 3.16Å; I259-S262 PolarHBondContact O-OG 3.38Å; S262-N264 PolarHBondContact O-N 3.42Å
263	K	96.3	Very high	94.9	Very high	111 Å²	111	29.1 Å²	29.1	48%	0.483	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	16.3	174.4	-64.8	179.3	-178.8	177.7	0	112.7	I259 I260 A261 F265 P266	I259-K263 HydrophobicContact CG2-CD 4.1Å; I259-K263 PolarHBondContact O-N 2.81Å; I260-K263 CarbonylContact O-C 3.58Å; I260-K263 PolarHBondContact O-N 2.9Å; A261-K263 PolarHBondContact O-N 3.11Å; K263-F265 PolarHBondContact O-N 3.21Å; K263-P266 HydrophobicContact CB-CG 4.04Å
264	N	95.9	Very high	95	Very high	110 Å²	110	29.1 Å²	29.1	59%	0.588	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	42.8	179.9	-170.4	42.9	0	0	0	113.7	I260 A261 S262	I260-N264 PolarHBondContact O-N 2.7Å; A261-N264 WeakPolarHBondContact O-CA 3.06Å; A261-N264 PolarHBondContact O-N 3.03Å; S262-N264 PolarHBondContact O-N 3.42Å
265	F	95.1	Very high	95	Very high	11 Å²	11	29.8 Å²	29.8	5%	0.048	16%	0.159	C	C	.	.			trans	51.9	67.1	171.7	-45.2	-88.7	0	0	0	113.2	I260 A261 K263 T267 R270 F273 W293 K296 W300	I260-F265 HydrophobicContact CG2-CD1 4.26Å; I260-F265 WeakPolarHBondContact O-CA 3.36Å; I260-F265 PolarHBondContact O-N 3.49Å; A261-F265 HydrophobicContact CB-CD1 4.36Å; A261-F265 HydrophobicContact CB-CE1 3.53Å; A261-F265 HydrophobicContact CB-CE2 4.36Å; A261-F265 HydrophobicContact CB-CZ 3.53Å; K263-F265 PolarHBondContact O-N 3.21Å; F265-T267 PolarHBondContact O-N 3.37Å; F265-R270 HydrophobicContact CB-CG 4.28Å; F265-R270 PolarHBondContact O-NE 3.46Å; F265-R270 PolarHBondContact O-NH2 3.1Å; F265-F273 HydrophobicContact CD1-CD1 4.18Å; F265-F273 HydrophobicContact CD1-CD2 4.3Å; F265-F273 HydrophobicContact CD1-CE1 4.05Å; F265-F273 HydrophobicContact CD1-CE2 4.17Å; F265-F273 HydrophobicContact CD1-CG 4.3Å; F265-F273 HydrophobicContact CD1-CZ 4.06Å; F265-F273 HydrophobicContact CE1-CD1 4.34Å; F265-F273 HydrophobicContact CE1-CD2 4.33Å; F265-F273 AromaticContact CE1-CE1 3.76Å; F265-F273 HydrophobicContact CE1-CE1 3.76Å; F265-F273 AromaticContact CE1-CE2 3.75Å; F265-F273 HydrophobicContact CE1-CE2 3.75Å; F265-F273 AromaticContact CE1-CZ 3.45Å; F265-F273 HydrophobicContact CE1-CZ 3.45Å; F265-F273 VanDerWaalsContact CE1-CZ 3.45Å; F265-W293 HydrophobicContact CE1-CG 4.49Å; F265-W293 AromaticContact CZ-CD1 3.86Å; F265-W293 HydrophobicContact CZ-CG 4.42Å; F265-K296 HydrophobicContact CD2-CD 4.21Å; F265-K296 HydrophobicContact CD2-CG 4.13Å; F265-K296 HydrophobicContact CE2-CB 4.27Å; F265-K296 HydrophobicContact CE2-CD 4.06Å; F265-K296 HydrophobicContact CE2-CG 3.63Å; F265-K296 HydrophobicContact CZ-CB 4.38Å; F265-K296 HydrophobicContact CZ-CG 4.02Å; F265-W300 HydrophobicContact CB-CH2 3.98Å; F265-W300 HydrophobicContact CB-CZ2 3.57Å; F265-W300 AromaticContact CD1-CH2 3.85Å; F265-W300 HydrophobicContact CD1-CH2 3.85Å; F265-W300 HydrophobicContact CD1-CZ2 4.05Å; F265-W300 HydrophobicContact CD2-CZ2 4.42Å; F265-W300 HydrophobicContact CG-CH2 4.05Å; F265-W300 AromaticContact CG-CZ2 3.76Å; F265-W300 HydrophobicContact CG-CZ2 3.76Å
266	P	93.5	Very high	95.1	Very high	46 Å²	46	29.8 Å²	29.8	30%	0.299	16%	0.159	S	C	.	.			trans	-53.7	141.8	177	-19.8	31	0	0	0	110.7	K263 D268 F269 R270	K263-P266 HydrophobicContact CB-CG 4.04Å; P266-D268 VanDerWaalsContact C-N 3.25Å; P266-D268 PolarHBondContact O-N 2.64Å; P266-D268 VanDerWaalsContact O-N 3.16Å; P266-F269 HydrophobicContact CB-CD2 4.1Å; P266-F269 HydrophobicContact CG-CD2 4.38Å; P266-F269 PolarHBondContact O-N 3.41Å; P266-R270 PolarHBondContact O-N 2.89Å
267	T	91.3	Very high	95.3	Very high	32 Å²	32	29.8 Å²	29.8	20%	0.196	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-52.5	-42.7	-169.7	43.9	0	0	0	0	113.2	F265 F269 R270 F310	F265-T267 PolarHBondContact O-N 3.37Å; T267-F269 PolarHBondContact O-N 3.16Å; T267-R270 PolarHBondContact O-N 3.33Å; T267-F310 HydrophobicContact CG2-CB 3.72Å; T267-F310 HydrophobicContact CG2-CD2 4.39Å; T267-F310 HydrophobicContact CG2-CG 4.11Å
268	D	88.1	Confident	95.4	Very high	82 Å²	82	29.8 Å²	29.8	44%	0.439	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-68.3	-19.4	-175.4	-51.6	-19.6	0	0	0	112.6	P266	P266-D268 VanDerWaalsContact C-N 3.25Å; P266-D268 PolarHBondContact O-N 2.64Å; P266-D268 VanDerWaalsContact O-N 3.16Å
269	F	92.1	Very high	95.5	Very high	21 Å²	21	28.5 Å²	28.5	9%	0.092	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-100.7	-9.8	-179	-75.9	-82	0	0	0	114.2	S20 I22 E207 I260 P266 T267 D271 L272 F273	S20-F269 WeakPolarHBondContact O-CZ 3.31Å; I22-F269 HydrophobicContact CD1-CD1 4.07Å; I22-F269 HydrophobicContact CD1-CE1 3.8Å; I22-F269 HydrophobicContact CG1-CD1 4.41Å; I22-F269 HydrophobicContact CG1-CE1 3.79Å; I22-F269 HydrophobicContact CG1-CZ 4.18Å; E207-F269 HydrophobicContact CG-CE1 4.49Å; I260-F269 HydrophobicContact CD1-CB 4.14Å; I260-F269 HydrophobicContact CD1-CD1 3.99Å; I260-F269 HydrophobicContact CD1-CG 4.44Å; I260-F269 HydrophobicContact CG1-CB 4.13Å; I260-F269 HydrophobicContact CG1-CD1 4.08Å; I260-F269 HydrophobicContact CG1-CG 4.28Å; I260-F269 HydrophobicContact CG2-CB 3.87Å; P266-F269 HydrophobicContact CB-CD2 4.1Å; P266-F269 HydrophobicContact CG-CD2 4.38Å; P266-F269 PolarHBondContact O-N 3.41Å; T267-F269 PolarHBondContact O-N 3.16Å; F269-D271 VanDerWaalsContact C-N 3.26Å; F269-D271 PolarHBondContact O-N 2.58Å; F269-L272 HydrophobicContact CD1-CD2 4.05Å; F269-L272 HydrophobicContact CE1-CD2 4.43Å; F269-L272 PolarHBondContact O-N 3.13Å; F269-F273 WeakPolarHBondContact O-CB 3.36Å; F269-F273 PolarHBondContact O-N 3.17Å
270	R	94.9	Very high	95.7	Very high	51 Å²	51	28.5 Å²	28.5	19%	0.192	15%	0.153	C	C	.	.	H	α-helix	trans	-64.1	-35.1	-175.5	-70.3	177.6	-175.7	179.4	1.9	112.8	F265 P266 T267 F273 M274 W300 F310	F265-R270 HydrophobicContact CB-CG 4.28Å; F265-R270 PolarHBondContact O-NE 3.46Å; F265-R270 PolarHBondContact O-NH2 3.1Å; P266-R270 PolarHBondContact O-N 2.89Å; T267-R270 PolarHBondContact O-N 3.33Å; R270-F273 PolarHBondContact O-N 3.29Å; R270-M274 WeakPolarHBondContact O-CG 3.33Å; R270-M274 PolarHBondContact O-N 2.91Å; R270-M274 VanDerWaalsContact O-N 3.07Å; R270-W300 HydrophobicContact CB-CE3 4.12Å; R270-W300 HydrophobicContact CB-CH2 4.13Å; R270-W300 HydrophobicContact CB-CZ3 3.88Å; R270-W300 HydrophobicContact CG-CD2 4.37Å; R270-W300 HydrophobicContact CG-CE3 4.31Å; R270-W300 HydrophobicContact CG-CH2 3.79Å; R270-W300 HydrophobicContact CG-CZ2 3.83Å; R270-W300 HydrophobicContact CG-CZ3 4.03Å; R270-F310 HydrophobicContact CB-CE2 3.66Å; R270-F310 HydrophobicContact CB-CZ 4.08Å; R270-F310 HydrophobicContact CG-CE2 4.13Å; R270-F310 HydrophobicContact CG-CZ 4.39Å; R270-F310 VanDerWaalsContact NH1-CE1 3.26Å
271	D	94.5	Very high	95.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.5	-56	176.8	-154.9	-104.1	0	0	0	110.6	F269 F273 M274 E275 R333 H348 R349 V352	F269-D271 VanDerWaalsContact C-N 3.26Å; F269-D271 PolarHBondContact O-N 2.58Å; D271-F273 VanDerWaalsContact C-N 3.28Å; D271-F273 PolarHBondContact O-N 3.02Å; D271-M274 PolarHBondContact O-N 2.92Å; D271-E275 PolarHBondContact O-N 2.66Å; D271-E275 VanDerWaalsContact O-N 3.09Å; D271-R333 IonicContact OD1-CZ 2.68Å; D271-R333 IonicContact OD1-NE 2.86Å; D271-R333 PolarHBondContact OD1-NE 2.96Å; D271-R333 IonicContact OD1-NH1 2.95Å; D271-R333 PolarHBondContact OD1-NH1 3.13Å; D271-R333 IonicContact OD1-NH2 3.09Å; D271-R333 IonicContact OD2-NH1 3.68Å; D271-H348 IonicContact OD1-CD2 2.74Å; D271-H348 IonicContact OD1-NE2 3.2Å; D271-H348 PolarHBondContact OD1-NE2 3.33Å; D271-R349 WeakPolarHBondContact OD2-CG 3.49Å; D271-R349 IonicContact OD2-CZ 3.58Å; D271-R349 IonicContact OD2-NE 3.43Å; D271-R349 PolarHBondContact OD2-NE 3.35Å; D271-R349 IonicContact OD2-NH2 2.79Å; D271-R349 PolarHBondContact OD2-NH2 3.35Å; D271-V352 WeakPolarHBondContact O-CG1 3.44Å
272	L	94.6	Very high	95.9	Very high	10 Å²	10	28.4 Å²	28.4	5%	0.052	15%	0.151	C	C	.	.	H	α-helix	trans	-55.6	-43.6	174.1	176.6	66.6	0	0	0	111.6	E207 I260 F269 M274 E275 Q276	E207-L272 HydrophobicContact CB-CD2 3.67Å; E207-L272 HydrophobicContact CG-CD2 3.99Å; I260-L272 HydrophobicContact CD1-CD2 4.37Å; F269-L272 HydrophobicContact CD1-CD2 4.05Å; F269-L272 HydrophobicContact CE1-CD2 4.43Å; F269-L272 PolarHBondContact O-N 3.13Å; L272-M274 PolarHBondContact O-N 2.79Å; L272-E275 WeakPolarHBondContact O-CB 3.49Å; L272-E275 PolarHBondContact O-N 3.13Å; L272-Q276 HydrophobicContact CD1-CG 4.05Å; L272-Q276 HydrophobicContact CG-CG 4.17Å; L272-Q276 WeakPolarHBondContact O-CB 3.42Å; L272-Q276 VanDerWaalsContact O-CG 3.24Å; L272-Q276 WeakPolarHBondContact O-CG 3.25Å; L272-Q276 PolarHBondContact O-N 2.95Å
273	F	97.9	Very high	96	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.3	-44.5	-179.5	177.6	-95.2	0	0	0	112.5	A257 I260 F265 F269 R270 D271 E275 Q276 V277 W293 I297 W300	A257-F273 HydrophobicContact CB-CD2 4.01Å; A257-F273 HydrophobicContact CB-CE2 3.9Å; I260-F273 HydrophobicContact CB-CD2 4.09Å; I260-F273 HydrophobicContact CD1-CB 4.2Å; I260-F273 HydrophobicContact CD1-CD2 4.37Å; I260-F273 HydrophobicContact CG2-CB 4.11Å; I260-F273 HydrophobicContact CG2-CD2 3.93Å; I260-F273 HydrophobicContact CG2-CG 4.25Å; F265-F273 HydrophobicContact CD1-CD1 4.18Å; F265-F273 HydrophobicContact CD1-CD2 4.3Å; F265-F273 HydrophobicContact CD1-CE1 4.05Å; F265-F273 HydrophobicContact CD1-CE2 4.17Å; F265-F273 HydrophobicContact CD1-CG 4.3Å; F265-F273 HydrophobicContact CD1-CZ 4.06Å; F265-F273 HydrophobicContact CE1-CD1 4.34Å; F265-F273 HydrophobicContact CE1-CD2 4.33Å; F265-F273 AromaticContact CE1-CE1 3.76Å; F265-F273 HydrophobicContact CE1-CE1 3.76Å; F265-F273 AromaticContact CE1-CE2 3.75Å; F265-F273 HydrophobicContact CE1-CE2 3.75Å; F265-F273 AromaticContact CE1-CZ 3.45Å; F265-F273 HydrophobicContact CE1-CZ 3.45Å; F265-F273 VanDerWaalsContact CE1-CZ 3.45Å; F269-F273 WeakPolarHBondContact O-CB 3.36Å; F269-F273 PolarHBondContact O-N 3.17Å; R270-F273 PolarHBondContact O-N 3.29Å; D271-F273 VanDerWaalsContact C-N 3.28Å; D271-F273 PolarHBondContact O-N 3.02Å; F273-E275 VanDerWaalsContact C-N 3.33Å; F273-Q276 PolarHBondContact O-N 3.1Å; F273-V277 HydrophobicContact CD1-CG2 4.41Å; F273-V277 HydrophobicContact CE1-CG2 3.98Å; F273-V277 HydrophobicContact CE2-CG2 4.19Å; F273-V277 HydrophobicContact CZ-CG2 3.84Å; F273-V277 WeakPolarHBondContact O-CB 3.5Å; F273-V277 VanDerWaalsContact O-CG2 3.27Å; F273-V277 WeakPolarHBondContact O-CG2 3.35Å; F273-V277 PolarHBondContact O-N 3.39Å; F273-W293 HydrophobicContact CE1-CB 4.3Å; F273-W293 AromaticContact CE2-CD2 3.98Å; F273-W293 HydrophobicContact CE2-CD2 3.98Å; F273-W293 AromaticContact CE2-CE3 3.78Å; F273-W293 HydrophobicContact CE2-CE3 3.78Å; F273-W293 HydrophobicContact CE2-CH2 4.35Å; F273-W293 AromaticContact CE2-CZ3 3.97Å; F273-W293 HydrophobicContact CE2-CZ3 3.97Å; F273-W293 HydrophobicContact CZ-CB 3.88Å; F273-W293 AromaticContact CZ-CD2 3.5Å; F273-W293 HydrophobicContact CZ-CD2 3.5Å; F273-W293 AromaticContact CZ-CE3 3.44Å; F273-W293 HydrophobicContact CZ-CE3 3.44Å; F273-W293 VanDerWaalsContact CZ-CE3 3.44Å; F273-W293 AromaticContact CZ-CG 3.72Å; F273-W293 HydrophobicContact CZ-CG 3.72Å; F273-W293 HydrophobicContact CZ-CZ3 4.11Å; F273-I297 HydrophobicContact CD1-CD1 4.46Å; F273-I297 HydrophobicContact CD1-CG1 4.46Å; F273-I297 HydrophobicContact CE1-CD1 4Å; F273-I297 HydrophobicContact CE1-CG1 4.13Å; F273-W300 AromaticContact CD1-CH2 3.88Å; F273-W300 HydrophobicContact CD1-CH2 3.88Å; F273-W300 HydrophobicContact CD1-CZ3 4.06Å; F273-W300 HydrophobicContact CE1-CH2 4.28Å
274	M	98.6	Very high	95.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.1	-39.3	175.8	-72.2	-177.1	-60.1	0	0	111.5	R270 D271 L272 G278 I297 W300 Y307 R349 V352 A353 A356	R270-M274 WeakPolarHBondContact O-CG 3.33Å; R270-M274 PolarHBondContact O-N 2.91Å; R270-M274 VanDerWaalsContact O-N 3.07Å; D271-M274 PolarHBondContact O-N 2.92Å; L272-M274 PolarHBondContact O-N 2.79Å; M274-G278 PolarHBondContact O-N 3.42Å; M274-I297 HydrophobicContact CG-CD1 4.12Å; M274-I297 HydrophobicContact CG-CG1 3.91Å; M274-I297 HydrophobicContact CG-CG2 4.19Å; M274-I297 HydrophobicContact SD-CG2 3.91Å; M274-W300 HydrophobicContact CG-CE3 4.28Å; M274-W300 HydrophobicContact CG-CZ3 3.91Å; M274-W300 HydrophobicContact SD-CE3 3.92Å; M274-W300 HydrophobicContact SD-CZ3 4.18Å; M274-Y307 HydrophobicContact CE-CD1 4.38Å; M274-Y307 HydrophobicContact SD-CD1 4.11Å; M274-Y307 HydrophobicContact SD-CE1 3.95Å; M274-R349 HydrophobicContact CE-CG 3.85Å; M274-V352 HydrophobicContact CB-CG1 3.66Å; M274-A353 HydrophobicContact CE-CB 4.17Å; M274-A353 HydrophobicContact SD-CB 3.54Å; M274-A353 VanDerWaalsContact SD-CB 3.54Å; M274-A356 HydrophobicContact CB-CB 4.12Å; M274-A356 WeakPolarHBondContact O-CB 3.32Å
275	E	97.9	Very high	95.9	Very high	15 Å²	15	14.5 Å²	14.5	7%	0.07	8%	0.077	C	C	.	.	H	α-helix	trans	-62.3	-47.6	176.7	-165.5	-179.4	-179.6	0	0	111.6	T211 H212 D271 L272 F273 G278 F279 V352	T211-E275 HydrophobicContact CG2-CB 4.3Å; T211-E275 HydrophobicContact CG2-CG 3.72Å; H212-E275 IonicContact CD2-OE1 2.67Å; H212-E275 IonicContact NE2-OE1 3.65Å; D271-E275 PolarHBondContact O-N 2.66Å; D271-E275 VanDerWaalsContact O-N 3.09Å; L272-E275 WeakPolarHBondContact O-CB 3.49Å; L272-E275 PolarHBondContact O-N 3.13Å; F273-E275 VanDerWaalsContact C-N 3.33Å; E275-G278 PolarHBondContact O-N 3.4Å; E275-F279 HydrophobicContact CG-CD2 3.7Å; E275-F279 HydrophobicContact CG-CE2 3.42Å; E275-F279 VanDerWaalsContact CG-CE2 3.42Å; E275-F279 HydrophobicContact CG-CZ 4.26Å; E275-F279 PolarHBondContact O-N 3.44Å; E275-F279 WeakPolarHBondContact OE1-CE2 3.42Å; E275-V352 HydrophobicContact CB-CG1 3.69Å; E275-V352 HydrophobicContact CG-CG1 4.45Å; E275-V352 VanDerWaalsContact N-CG1 3.27Å
276	Q	98.3	Very high	95.7	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-57.7	-50.9	176.5	-77.7	-175.9	-20.7	0	0	112.1	T211 V253 E256 L272 F273 G278 C280	T211-Q276 HydrophobicContact CG2-CG 4.14Å; T211-Q276 VanDerWaalsContact OG1-CG 3.26Å; T211-Q276 WeakPolarHBondContact OG1-CG 3.29Å; T211-Q276 PolarHBondContact OG1-NE2 2.87Å; V253-Q276 HydrophobicContact CG1-CB 3.44Å; V253-Q276 VanDerWaalsContact CG1-CB 3.44Å; V253-Q276 HydrophobicContact CG1-CG 3.55Å; E256-Q276 PolarHBondContact OE2-NE2 2.65Å; L272-Q276 HydrophobicContact CD1-CG 4.05Å; L272-Q276 HydrophobicContact CG-CG 4.17Å; L272-Q276 WeakPolarHBondContact O-CB 3.42Å; L272-Q276 VanDerWaalsContact O-CG 3.24Å; L272-Q276 WeakPolarHBondContact O-CG 3.25Å; L272-Q276 PolarHBondContact O-N 2.95Å; F273-Q276 PolarHBondContact O-N 3.1Å; Q276-G278 VanDerWaalsContact C-N 3.34Å; Q276-G278 PolarHBondContact O-N 3.13Å; Q276-C280 WeakPolarHBondContact O-CB 3.48Å; Q276-C280 PolarHBondContact O-N 2.9Å; Q276-C280 VanDerWaalsContact O-N 3.13Å
277	V	98.5	Very high	95.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.8	-43.9	176.6	172.3	0	0	0	0	110.8	F273 G281 I288 W293 Y360	F273-V277 HydrophobicContact CD1-CG2 4.41Å; F273-V277 HydrophobicContact CE1-CG2 3.98Å; F273-V277 HydrophobicContact CE2-CG2 4.19Å; F273-V277 HydrophobicContact CZ-CG2 3.84Å; F273-V277 WeakPolarHBondContact O-CB 3.5Å; F273-V277 VanDerWaalsContact O-CG2 3.27Å; F273-V277 WeakPolarHBondContact O-CG2 3.35Å; F273-V277 PolarHBondContact O-N 3.39Å; V277-G281 WeakPolarHBondContact O-CA 3.49Å; V277-G281 PolarHBondContact O-N 3.19Å; V277-I288 HydrophobicContact CG2-CG1 4.25Å; V277-W293 HydrophobicContact CG2-CE3 4.02Å; V277-W293 HydrophobicContact CG2-CZ3 4.32Å; V277-Y360 HydrophobicContact CG1-CD2 4.42Å; V277-Y360 HydrophobicContact CG1-CE2 3.55Å
278	G	98.5	Very high	95.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.9	-56	-179.5	0	0	0	0	0	113.1	M274 E275 Q276 L282	M274-G278 PolarHBondContact O-N 3.42Å; E275-G278 PolarHBondContact O-N 3.4Å; Q276-G278 VanDerWaalsContact C-N 3.34Å; Q276-G278 PolarHBondContact O-N 3.13Å; G278-L282 VanDerWaalsContact O-CB 3.3Å; G278-L282 WeakPolarHBondContact O-CB 3.39Å; G278-L282 WeakPolarHBondContact O-CG 3.13Å; G278-L282 PolarHBondContact O-N 2.84Å
279	F	98.4	Very high	96	Very high	10 Å²	10	9 Å²	9	4%	0.044	4%	0.042	C	C	.	.	H	α-helix	trans	-68.4	-45.8	-176.6	-69.2	-35.3	0	0	0	112.7	I83 T211 V214 F215 M218 E275 G281 L282 A283 T355	I83-F279 HydrophobicContact CD1-CE1 4.45Å; T211-F279 HydrophobicContact CG2-CD2 3.86Å; T211-F279 HydrophobicContact CG2-CE2 4.42Å; V214-F279 HydrophobicContact CG1-CB 4.12Å; F215-F279 HydrophobicContact CB-CD2 4.12Å; F215-F279 HydrophobicContact CB-CE2 3.96Å; F215-F279 HydrophobicContact CB-CZ 4.4Å; F215-F279 HydrophobicContact CD2-CD1 4.18Å; F215-F279 HydrophobicContact CD2-CD2 4.5Å; F215-F279 AromaticContact CD2-CE1 3.65Å; F215-F279 HydrophobicContact CD2-CE1 3.65Å; F215-F279 AromaticContact CD2-CE2 3.98Å; F215-F279 HydrophobicContact CD2-CE2 3.98Å; F215-F279 AromaticContact CD2-CZ 3.54Å; F215-F279 HydrophobicContact CD2-CZ 3.54Å; F215-F279 AromaticContact CE2-CE1 3.93Å; F215-F279 HydrophobicContact CE2-CE1 3.93Å; F215-F279 AromaticContact CE2-CZ 3.86Å; F215-F279 HydrophobicContact CE2-CZ 3.86Å; F215-F279 HydrophobicContact CG-CE1 4.47Å; F215-F279 AromaticContact CG-CE2 3.99Å; F215-F279 HydrophobicContact CG-CE2 3.99Å; F215-F279 AromaticContact CG-CZ 3.97Å; F215-F279 HydrophobicContact CG-CZ 3.97Å; M218-F279 HydrophobicContact SD-CB 4.01Å; M218-F279 HydrophobicContact SD-CD1 4.48Å; E275-F279 HydrophobicContact CG-CD2 3.7Å; E275-F279 HydrophobicContact CG-CE2 3.42Å; E275-F279 VanDerWaalsContact CG-CE2 3.42Å; E275-F279 HydrophobicContact CG-CZ 4.26Å; E275-F279 PolarHBondContact O-N 3.44Å; E275-F279 WeakPolarHBondContact OE1-CE2 3.42Å; F279-G281 PolarHBondContact O-N 3.22Å; F279-L282 PolarHBondContact O-N 2.86Å; F279-A283 VanDerWaalsContact O-CB 3.24Å; F279-A283 WeakPolarHBondContact O-CB 3.35Å; F279-A283 PolarHBondContact O-N 3.17Å; F279-T355 HydrophobicContact CD1-CG2 4.08Å; F279-T355 HydrophobicContact CE1-CG2 3.99Å
280	C	98.6	Very high	96.1	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.007	5%	0.045	C	C	.	.	H	α-helix	trans	-70.3	-33.6	179.2	-77.5	0	0	0	0	113.3	C250 Q276 A283 G284 F285 I288	C250-C280 WeakPolarHBondContact CA-SG 3.34Å; C250-C280 HydrophobicContact CB-CB 3.79Å; C250-C280 WeakPolarHBondContact CB-SG 3.44Å; C250-C280 WeakPolarHBondContact SG-CA 3.42Å; C250-C280 WeakPolarHBondContact SG-CB 3.28Å; C250-C280 CovalentContact SG-SG 2.06Å; C250-C280 PolarHBondContact SG-SG 2.64Å; Q276-C280 WeakPolarHBondContact O-CB 3.48Å; Q276-C280 PolarHBondContact O-N 2.9Å; Q276-C280 VanDerWaalsContact O-N 3.13Å; C280-A283 PolarHBondContact O-N 3.18Å; C280-G284 PolarHBondContact O-N 2.98Å; C280-F285 WeakPolarHBondContact O-CB 3.36Å; C280-F285 PolarHBondContact O-N 3.37Å; C280-I288 HydrophobicContact CB-CD1 3.85Å; C280-I288 HydrophobicContact CB-CG2 4.23Å
281	G	97.7	Very high	96.1	Very high	5 Å²	5	9 Å²	9	5%	0.052	4%	0.044	C	C	.	.	H	α-helix	trans	-66.2	-43	172.5	0	0	0	0	0	112.1	V277 F279 A283 G284	V277-G281 WeakPolarHBondContact O-CA 3.49Å; V277-G281 PolarHBondContact O-N 3.19Å; F279-G281 PolarHBondContact O-N 3.22Å; G281-A283 VanDerWaalsContact C-N 3.28Å; G281-A283 PolarHBondContact O-N 3.16Å; G281-G284 PolarHBondContact O-N 2.8Å
282	L	97.6	Very high	96.1	Very high	10 Å²	10	13.7 Å²	13.7	5%	0.052	7%	0.069	C	C	.	.	H	α-helix	trans	-67.3	-27.8	173.3	-71.2	170.5	0	0	0	112.9	I83 Y149 M218 G278 F279 G284 T355 A359 R362	I83-L282 HydrophobicContact CG2-CD1 3.48Å; I83-L282 VanDerWaalsContact CG2-CD1 3.48Å; Y149-L282 WeakPolarHBondContact CD2-O 3.24Å; M218-L282 HydrophobicContact CE-CB 3.91Å; G278-L282 VanDerWaalsContact O-CB 3.3Å; G278-L282 WeakPolarHBondContact O-CB 3.39Å; G278-L282 WeakPolarHBondContact O-CG 3.13Å; G278-L282 PolarHBondContact O-N 2.84Å; F279-L282 PolarHBondContact O-N 2.86Å; L282-G284 PolarHBondContact O-N 3.28Å; L282-T355 HydrophobicContact CD1-CG2 3.84Å; L282-A359 HydrophobicContact CD2-CB 4.49Å; L282-A359 HydrophobicContact CG-CB 4.09Å; L282-R362 PolarHBondContact O-NH1 3.09Å
283	A	97.5	Very high	96.2	Very high	3 Å²	3	13.5 Å²	13.5	3%	0.025	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	1	171.1	0	0	0	0	0	113.9	Y149 M218 L246 F279 C280 G281 F285	Y149-A283 VanDerWaalsContact CB-C 3.45Å; Y149-A283 WeakPolarHBondContact CB-O 3.42Å; M218-A283 HydrophobicContact CE-CB 4.42Å; M218-A283 HydrophobicContact CG-CB 4.36Å; M218-A283 HydrophobicContact SD-CB 4.01Å; L246-A283 HydrophobicContact CD2-CB 3.9Å; L246-A283 HydrophobicContact CG-CB 4.34Å; F279-A283 VanDerWaalsContact O-CB 3.24Å; F279-A283 WeakPolarHBondContact O-CB 3.35Å; F279-A283 PolarHBondContact O-N 3.17Å; C280-A283 PolarHBondContact O-N 3.18Å; G281-A283 VanDerWaalsContact C-N 3.28Å; G281-A283 PolarHBondContact O-N 3.16Å; A283-F285 HydrophobicContact CB-CD2 3.96Å; A283-F285 HydrophobicContact CB-CE2 4.1Å
284	G	95.6	Very high	96.2	Very high	3 Å²	3	13.5 Å²	13.5	3%	0.031	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	97	4.3	173.4	0	0	0	0	0	115.3	S152 C280 G281 L282 W286	S152-G284 PolarHBondContact N-O 3.09Å; S152-G284 VanDerWaalsContact N-O 3.1Å; C280-G284 PolarHBondContact O-N 2.98Å; G281-G284 PolarHBondContact O-N 2.8Å; L282-G284 PolarHBondContact O-N 3.28Å; G284-W286 PolarHBondContact O-N 3.39Å
285	F	95.8	Very high	96.1	Very high	3 Å²	3	17.8 Å²	17.8	1%	0.013	9%	0.089	C	C	.	.			trans	-93.7	70.3	-180	-59.5	-82	0	0	0	111.8	S152 L154 L246 Q247 C250 C280 A283 Q287 I288	S152-F285 VanDerWaalsContact CB-CE1 3.49Å; S152-F285 WeakPolarHBondContact OG-CE1 3.27Å; L154-F285 HydrophobicContact CD2-CB 3.72Å; L154-F285 HydrophobicContact CD2-CD1 3.67Å; L154-F285 HydrophobicContact CD2-CG 3.87Å; L154-F285 HydrophobicContact CG-CB 4.37Å; L154-F285 HydrophobicContact CG-CD1 4.4Å; L246-F285 HydrophobicContact CD2-CE2 4.37Å; L246-F285 HydrophobicContact CG-CE2 4.04Å; Q247-F285 HydrophobicContact CB-CE1 3.73Å; Q247-F285 HydrophobicContact CB-CZ 3.74Å; Q247-F285 HydrophobicContact CG-CE1 3.89Å; Q247-F285 HydrophobicContact CG-CZ 4.41Å; C250-F285 HydrophobicContact CB-CB 4.45Å; C250-F285 HydrophobicContact CB-CD1 4.45Å; C250-F285 HydrophobicContact CB-CD2 3.48Å; C250-F285 VanDerWaalsContact CB-CD2 3.48Å; C250-F285 HydrophobicContact CB-CE2 3.79Å; C250-F285 HydrophobicContact CB-CG 3.87Å; C250-F285 HydrophobicContact CB-CZ 4.39Å; C280-F285 WeakPolarHBondContact O-CB 3.36Å; C280-F285 PolarHBondContact O-N 3.37Å; A283-F285 HydrophobicContact CB-CD2 3.96Å; A283-F285 HydrophobicContact CB-CE2 4.1Å; F285-Q287 PolarHBondContact O-N 3.39Å; F285-I288 VanDerWaalsContact O-CG2 3.25Å; F285-I288 WeakPolarHBondContact O-CG2 3.45Å; F285-I288 PolarHBondContact O-N 3.32Å; F285-I288 VanDerWaalsContact O-N 3.13Å
286	W	89.8	Confident	96.2	Very high	37 Å²	37	21 Å²	21	14%	0.14	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-55.6	-22.9	-176.5	59.9	-81.3	0	0	0	115.3	V40 L153 G284 I288 C289 Y363 F367	V40-W286 HydrophobicContact CB-CE3 3.96Å; V40-W286 HydrophobicContact CB-CZ3 3.45Å; V40-W286 VanDerWaalsContact CB-CZ3 3.45Å; V40-W286 HydrophobicContact CG2-CE3 3.46Å; V40-W286 VanDerWaalsContact CG2-CE3 3.46Å; V40-W286 HydrophobicContact CG2-CH2 4.07Å; V40-W286 HydrophobicContact CG2-CZ3 3.05Å; L153-W286 HydrophobicContact CD2-CZ2 3.6Å; G284-W286 PolarHBondContact O-N 3.39Å; W286-I288 PolarHBondContact O-N 3.46Å; W286-I288 VanDerWaalsContact O-N 3.09Å; W286-C289 WeakPolarHBondContact O-CA 3.41Å; W286-C289 VanDerWaalsContact O-CB 3.3Å; W286-C289 WeakPolarHBondContact O-CB 3.25Å; W286-C289 PolarHBondContact O-N 2.97Å; W286-Y363 HydrophobicContact CB-CD2 3.69Å; W286-Y363 HydrophobicContact CB-CE2 4.22Å; W286-Y363 AromaticContact CE3-CE2 3.97Å; W286-Y363 HydrophobicContact CE3-CE2 3.97Å; W286-F367 HydrophobicContact CB-CE2 4.08Å; W286-F367 HydrophobicContact CB-CZ 4.48Å; W286-F367 AromaticContact CD1-CZ 3.93Å; W286-F367 HydrophobicContact CD2-CE2 4.48Å; W286-F367 HydrophobicContact CD2-CZ 4.09Å; W286-F367 AromaticContact CG-CE2 4Å; W286-F367 HydrophobicContact CG-CE2 4Å; W286-F367 AromaticContact CG-CZ 3.9Å; W286-F367 HydrophobicContact CG-CZ 3.9Å
287	Q	92.1	Very high	96.2	Very high	17 Å²	17	21 Å²	21	8%	0.079	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-60.6	-18.8	177	-70.4	164	-77.7	0	0	113.1	L36 L153 L154 F285	L36-Q287 PolarHBondContact O-NE2 3.07Å; L153-Q287 VanDerWaalsContact CA-OE1 3.22Å; L154-Q287 HydrophobicContact CD1-CB 3.67Å; L154-Q287 HydrophobicContact CG-CB 4.05Å; F285-Q287 PolarHBondContact O-N 3.39Å
288	I	94.2	Very high	96.2	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.01	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-78.9	-19.1	172.3	-151.9	171.5	0	0	0	112.9	V253 A254 V277 C280 F285 W286 K290 W293	V253-I288 HydrophobicContact CG1-CD1 3.99Å; A254-I288 HydrophobicContact CB-CD1 4.14Å; A254-I288 HydrophobicContact CB-CG1 4.27Å; V277-I288 HydrophobicContact CG2-CG1 4.25Å; C280-I288 HydrophobicContact CB-CD1 3.85Å; C280-I288 HydrophobicContact CB-CG2 4.23Å; F285-I288 VanDerWaalsContact O-CG2 3.25Å; F285-I288 WeakPolarHBondContact O-CG2 3.45Å; F285-I288 PolarHBondContact O-N 3.32Å; F285-I288 VanDerWaalsContact O-N 3.13Å; W286-I288 PolarHBondContact O-N 3.46Å; W286-I288 VanDerWaalsContact O-N 3.09Å; I288-K290 VanDerWaalsContact C-N 3.27Å; I288-K290 PolarHBondContact O-N 3.46Å; I288-W293 HydrophobicContact CG1-CZ3 3.93Å; I288-W293 VanDerWaalsContact O-CE3 3.28Å
289	C	93.7	Very high	96.1	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	14%	0.136	C	C	.	.			trans	-84.9	60.3	-179.3	-61.7	0	0	0	0	111.4	W286 Y360 Y363	W286-C289 WeakPolarHBondContact O-CA 3.41Å; W286-C289 VanDerWaalsContact O-CB 3.3Å; W286-C289 WeakPolarHBondContact O-CB 3.25Å; W286-C289 PolarHBondContact O-N 2.97Å; C289-Y360 VanDerWaalsContact CA-CE1 3.42Å; C289-Y360 HydrophobicContact CB-CD1 3.78Å; C289-Y360 HydrophobicContact CB-CE1 3.58Å; C289-Y360 WeakPolarHBondContact O-CE1 3.27Å; C289-Y363 HydrophobicContact CB-CD1 4.33Å; C289-Y363 HydrophobicContact CB-CG 4.2Å
290	K	94.2	Very high	96.1	Very high	37 Å²	37	26.3 Å²	26.3	16%	0.161	14%	0.136	C	C	.	.			trans	-74	136.9	179.2	-52.7	-171	178.3	-173.4	0	111.9	D35 I288 D292 W293 L294 Y360	D35-K290 IonicContact OD2-NZ 3.26Å; I288-K290 VanDerWaalsContact C-N 3.27Å; I288-K290 PolarHBondContact O-N 3.46Å; K290-D292 WeakPolarHBondContact CB-OD1 3Å; K290-D292 PolarHBondContact O-N 2.73Å; K290-W293 HydrophobicContact CB-CB 4.23Å; K290-W293 HydrophobicContact CB-CD2 3.99Å; K290-W293 HydrophobicContact CB-CE3 4.37Å; K290-W293 HydrophobicContact CB-CG 3.91Å; K290-W293 HydrophobicContact CD-CD2 4.08Å; K290-W293 HydrophobicContact CD-CE3 4.45Å; K290-W293 HydrophobicContact CD-CH2 4.31Å; K290-W293 HydrophobicContact CD-CZ2 3.9Å; K290-W293 HydrophobicContact CG-CD2 4.15Å; K290-W293 HydrophobicContact CG-CE3 4.25Å; K290-W293 WeakPolarHBondContact O-CB 3.4Å; K290-W293 PolarHBondContact O-N 2.88Å; K290-W293 VanDerWaalsContact O-N 3.11Å; K290-L294 PolarHBondContact O-N 3.01Å; K290-Y360 WeakPolarHBondContact O-CE1 3.49Å; K290-Y360 PolarHBondContact O-OH 2.86Å
291	I	93.9	Very high	96.1	Very high	34 Å²	34	27.7 Å²	27.7	17%	0.174	14%	0.142	C	C	.	.	H	α-helix	trans	-66.2	-36.4	-174.6	-59	-58.4	0	0	0	112.6	L43 V51 W293 L294 M295 Y363	L43-I291 HydrophobicContact CD1-CD1 4.24Å; L43-I291 HydrophobicContact CD2-CG1 4.28Å; V51-I291 HydrophobicContact CG1-CD1 4.27Å; I291-W293 VanDerWaalsContact C-N 3.27Å; I291-W293 PolarHBondContact O-N 3.28Å; I291-L294 WeakPolarHBondContact O-CB 3.28Å; I291-L294 PolarHBondContact O-N 3.26Å; I291-M295 WeakPolarHBondContact O-CG 3.15Å; I291-M295 PolarHBondContact O-N 3.48Å; I291-Y363 HydrophobicContact CD1-CE1 4.23Å
292	D	94.1	Very high	96	Very high	98 Å²	98	28.2 Å²	28.2	52%	0.524	14%	0.144	S	C	.	.	H	α-helix	trans	-63.5	-34.5	174.1	63.7	-47.8	0	0	0	112	K290 K296	K290-D292 WeakPolarHBondContact CB-OD1 3Å; K290-D292 PolarHBondContact O-N 2.73Å; D292-K296 WeakPolarHBondContact O-CG 3.34Å; D292-K296 PolarHBondContact O-N 3.33Å
293	W	97.7	Very high	95.9	Very high	7 Å²	7	35.9 Å²	35.9	3%	0.027	18%	0.183	C	C	.	.	H	α-helix	trans	-70	-40.7	173.5	-66	7.4	0	0	0	111.7	A257 Q258 A261 F265 F273 V277 I288 K290 I291 M295 K296 I297 Y360	A257-W293 HydrophobicContact CB-CH2 3.88Å; A257-W293 HydrophobicContact CB-CZ3 3.85Å; Q258-W293 HydrophobicContact CB-CH2 4.37Å; Q258-W293 HydrophobicContact CB-CZ2 4.39Å; Q258-W293 VanDerWaalsContact OE1-CZ2 3.32Å; A261-W293 HydrophobicContact CB-CZ2 3.74Å; F265-W293 HydrophobicContact CE1-CG 4.49Å; F265-W293 AromaticContact CZ-CD1 3.86Å; F265-W293 HydrophobicContact CZ-CG 4.42Å; F273-W293 HydrophobicContact CE1-CB 4.3Å; F273-W293 AromaticContact CE2-CD2 3.98Å; F273-W293 HydrophobicContact CE2-CD2 3.98Å; F273-W293 AromaticContact CE2-CE3 3.78Å; F273-W293 HydrophobicContact CE2-CE3 3.78Å; F273-W293 HydrophobicContact CE2-CH2 4.35Å; F273-W293 AromaticContact CE2-CZ3 3.97Å; F273-W293 HydrophobicContact CE2-CZ3 3.97Å; F273-W293 HydrophobicContact CZ-CB 3.88Å; F273-W293 AromaticContact CZ-CD2 3.5Å; F273-W293 HydrophobicContact CZ-CD2 3.5Å; F273-W293 AromaticContact CZ-CE3 3.44Å; F273-W293 HydrophobicContact CZ-CE3 3.44Å; F273-W293 VanDerWaalsContact CZ-CE3 3.44Å; F273-W293 AromaticContact CZ-CG 3.72Å; F273-W293 HydrophobicContact CZ-CG 3.72Å; F273-W293 HydrophobicContact CZ-CZ3 4.11Å; V277-W293 HydrophobicContact CG2-CE3 4.02Å; V277-W293 HydrophobicContact CG2-CZ3 4.32Å; I288-W293 HydrophobicContact CG1-CZ3 3.93Å; I288-W293 VanDerWaalsContact O-CE3 3.28Å; K290-W293 HydrophobicContact CB-CB 4.23Å; K290-W293 HydrophobicContact CB-CD2 3.99Å; K290-W293 HydrophobicContact CB-CE3 4.37Å; K290-W293 HydrophobicContact CB-CG 3.91Å; K290-W293 HydrophobicContact CD-CD2 4.08Å; K290-W293 HydrophobicContact CD-CE3 4.45Å; K290-W293 HydrophobicContact CD-CH2 4.31Å; K290-W293 HydrophobicContact CD-CZ2 3.9Å; K290-W293 HydrophobicContact CG-CD2 4.15Å; K290-W293 HydrophobicContact CG-CE3 4.25Å; K290-W293 WeakPolarHBondContact O-CB 3.4Å; K290-W293 PolarHBondContact O-N 2.88Å; K290-W293 VanDerWaalsContact O-N 3.11Å; I291-W293 VanDerWaalsContact C-N 3.27Å; I291-W293 PolarHBondContact O-N 3.28Å; W293-M295 VanDerWaalsContact C-N 3.32Å; W293-M295 PolarHBondContact O-N 3.03Å; W293-K296 WeakPolarHBondContact O-CB 3.48Å; W293-K296 PolarHBondContact O-N 2.97Å; W293-K296 VanDerWaalsContact O-N 3.14Å; W293-I297 WeakPolarHBondContact O-CG1 3.45Å; W293-I297 PolarHBondContact O-N 3.49Å; W293-Y360 WeakPolarHBondContact CB-OH 3.45Å
294	L	97.8	Very high	95.8	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-55.8	-47.6	172.6	175.1	57.6	0	0	0	111.6	V51 V55 K290 I291 K296 I297 I298 L357 Y360	V51-L294 HydrophobicContact CG1-CD2 3.57Å; V55-L294 HydrophobicContact CG2-CD1 3.9Å; V55-L294 HydrophobicContact CG2-CD2 3.62Å; V55-L294 HydrophobicContact CG2-CG 4.34Å; K290-L294 PolarHBondContact O-N 3.01Å; I291-L294 WeakPolarHBondContact O-CB 3.28Å; I291-L294 PolarHBondContact O-N 3.26Å; L294-K296 PolarHBondContact O-N 2.96Å; L294-I297 PolarHBondContact O-N 3Å; L294-I297 VanDerWaalsContact O-N 3.11Å; L294-I298 HydrophobicContact CD1-CD1 3.76Å; L294-I298 HydrophobicContact CD1-CG1 3.91Å; L294-I298 HydrophobicContact CG-CD1 3.95Å; L294-I298 HydrophobicContact CG-CG1 4.42Å; L294-I298 WeakPolarHBondContact O-CG1 3.37Å; L294-I298 PolarHBondContact O-N 3.39Å; L294-L357 HydrophobicContact CD1-CD2 3.91Å; L294-Y360 HydrophobicContact CB-CD1 3.91Å; L294-Y360 HydrophobicContact CB-CD2 4.42Å; L294-Y360 HydrophobicContact CB-CE1 3.55Å; L294-Y360 HydrophobicContact CB-CE2 4.12Å; L294-Y360 HydrophobicContact CB-CG 4.34Å; L294-Y360 HydrophobicContact CD1-CD1 4.18Å; L294-Y360 HydrophobicContact CD1-CD2 3.69Å; L294-Y360 HydrophobicContact CD1-CE1 4.49Å; L294-Y360 HydrophobicContact CD1-CE2 4.06Å; L294-Y360 HydrophobicContact CD1-CG 3.77Å; L294-Y360 HydrophobicContact CD2-CD1 3.88Å; L294-Y360 HydrophobicContact CD2-CE1 4.36Å; L294-Y360 HydrophobicContact CD2-CG 4.16Å; L294-Y360 HydrophobicContact CG-CD1 4.21Å; L294-Y360 HydrophobicContact CG-CE1 4.34Å; L294-Y360 HydrophobicContact CG-CG 4.31Å; L294-Y360 PolarHBondContact N-OH 3.3Å
295	M	97.1	Very high	96	Very high	90 Å²	90	42.9 Å²	42.9	44%	0.443	21%	0.208	S	C	.	.	H	α-helix	trans	-60.9	-33	179.7	-65.9	-53.1	-68.5	0	0	112	L54 I291 W293 S299	L54-M295 HydrophobicContact CD1-CE 4.25Å; L54-M295 HydrophobicContact CD1-SD 4.22Å; I291-M295 WeakPolarHBondContact O-CG 3.15Å; I291-M295 PolarHBondContact O-N 3.48Å; W293-M295 VanDerWaalsContact C-N 3.32Å; W293-M295 PolarHBondContact O-N 3.03Å; M295-S299 WeakPolarHBondContact O-CB 3.03Å; M295-S299 PolarHBondContact O-N 3.18Å
296	K	98.2	Very high	96.1	Very high	82 Å²	82	42.7 Å²	42.7	36%	0.357	21%	0.208	S	C	.	.	H	α-helix	trans	-68.5	-46.6	173.1	-67.5	-72.3	-179.3	177	0	111.9	F265 D292 W293 L294 I298 S299 W300	F265-K296 HydrophobicContact CD2-CD 4.21Å; F265-K296 HydrophobicContact CD2-CG 4.13Å; F265-K296 HydrophobicContact CE2-CB 4.27Å; F265-K296 HydrophobicContact CE2-CD 4.06Å; F265-K296 HydrophobicContact CE2-CG 3.63Å; F265-K296 HydrophobicContact CZ-CB 4.38Å; F265-K296 HydrophobicContact CZ-CG 4.02Å; D292-K296 WeakPolarHBondContact O-CG 3.34Å; D292-K296 PolarHBondContact O-N 3.33Å; W293-K296 WeakPolarHBondContact O-CB 3.48Å; W293-K296 PolarHBondContact O-N 2.97Å; W293-K296 VanDerWaalsContact O-N 3.14Å; L294-K296 PolarHBondContact O-N 2.96Å; K296-I298 PolarHBondContact O-N 3.41Å; K296-S299 WeakPolarHBondContact O-CB 3.37Å; K296-S299 PolarHBondContact O-N 3Å; K296-S299 VanDerWaalsContact O-N 3.15Å; K296-S299 PolarHBondContact O-OG 2.97Å; K296-W300 HydrophobicContact CB-CH2 4.43Å; K296-W300 HydrophobicContact CB-CZ2 3.91Å; K296-W300 PolarHBondContact O-N 2.88Å; K296-W300 PolarHBondContact O-NE1 3.32Å
297	I	98.7	Very high	96.5	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57.7	-51	177	-67.5	169.1	0	0	0	110.4	F273 M274 W293 L294 S299 W300 Y307 A356 Y360	F273-I297 HydrophobicContact CD1-CD1 4.46Å; F273-I297 HydrophobicContact CD1-CG1 4.46Å; F273-I297 HydrophobicContact CE1-CD1 4Å; F273-I297 HydrophobicContact CE1-CG1 4.13Å; M274-I297 HydrophobicContact CG-CD1 4.12Å; M274-I297 HydrophobicContact CG-CG1 3.91Å; M274-I297 HydrophobicContact CG-CG2 4.19Å; M274-I297 HydrophobicContact SD-CG2 3.91Å; W293-I297 WeakPolarHBondContact O-CG1 3.45Å; W293-I297 PolarHBondContact O-N 3.49Å; L294-I297 PolarHBondContact O-N 3Å; L294-I297 VanDerWaalsContact O-N 3.11Å; I297-S299 VanDerWaalsContact C-N 3.26Å; I297-S299 PolarHBondContact O-N 3.34Å; I297-W300 HydrophobicContact CB-CE3 4.48Å; I297-W300 HydrophobicContact CG1-CE3 4.24Å; I297-W300 HydrophobicContact CG1-CH2 4.4Å; I297-W300 HydrophobicContact CG1-CZ3 3.8Å; I297-W300 WeakPolarHBondContact O-CB 3.27Å; I297-W300 PolarHBondContact O-N 3.05Å; I297-Y307 HydrophobicContact CG2-CE1 4.25Å; I297-Y307 VanDerWaalsContact O-CE1 3.29Å; I297-Y307 WeakPolarHBondContact O-CE1 3.4Å; I297-Y307 PolarHBondContact O-OH 3.42Å; I297-A356 HydrophobicContact CD1-CB 4.19Å; I297-Y360 HydrophobicContact CD1-CE2 3.91Å
298	I	98.7	Very high	96.7	Very high	28 Å²	28	40.9 Å²	40.9	14%	0.144	20%	0.201	C	C	.	.	H	α-helix	trans	-58.7	-38.8	177.9	-67.8	179.8	0	0	0	111.3	L54 L294 K296 W300 Q301 L357	L54-I298 HydrophobicContact CB-CD1 3.92Å; L294-I298 HydrophobicContact CD1-CD1 3.76Å; L294-I298 HydrophobicContact CD1-CG1 3.91Å; L294-I298 HydrophobicContact CG-CD1 3.95Å; L294-I298 HydrophobicContact CG-CG1 4.42Å; L294-I298 WeakPolarHBondContact O-CG1 3.37Å; L294-I298 PolarHBondContact O-N 3.39Å; K296-I298 PolarHBondContact O-N 3.41Å; I298-W300 PolarHBondContact O-N 3.31Å; I298-W300 VanDerWaalsContact O-N 3.17Å; I298-Q301 VanDerWaalsContact O-CB 3.3Å; I298-Q301 WeakPolarHBondContact O-CB 3.42Å; I298-Q301 PolarHBondContact O-N 2.97Å; I298-Q301 VanDerWaalsContact O-N 3.08Å; I298-L357 HydrophobicContact CG1-CD2 4.13Å
299	S	97.6	Very high	96.6	Very high	80 Å²	80	43.6 Å²	43.6	56%	0.559	21%	0.212	S	C	*	.	H	α-helix	trans	-64.9	-17.1	178	79.2	0	0	0	0	114.5	M295 K296 I297	M295-S299 WeakPolarHBondContact O-CB 3.03Å; M295-S299 PolarHBondContact O-N 3.18Å; K296-S299 WeakPolarHBondContact O-CB 3.37Å; K296-S299 PolarHBondContact O-N 3Å; K296-S299 VanDerWaalsContact O-N 3.15Å; K296-S299 PolarHBondContact O-OG 2.97Å; I297-S299 VanDerWaalsContact C-N 3.26Å; I297-S299 PolarHBondContact O-N 3.34Å
300	W	97.6	Very high	96.5	Very high	14 Å²	14	44 Å²	44	5%	0.053	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-7.9	176.4	-56.2	-24.2	0	0	0	113.2	F265 R270 F273 M274 K296 I297 I298 Y307 H308 F310	F265-W300 HydrophobicContact CB-CH2 3.98Å; F265-W300 HydrophobicContact CB-CZ2 3.57Å; F265-W300 AromaticContact CD1-CH2 3.85Å; F265-W300 HydrophobicContact CD1-CH2 3.85Å; F265-W300 HydrophobicContact CD1-CZ2 4.05Å; F265-W300 HydrophobicContact CD2-CZ2 4.42Å; F265-W300 HydrophobicContact CG-CH2 4.05Å; F265-W300 AromaticContact CG-CZ2 3.76Å; F265-W300 HydrophobicContact CG-CZ2 3.76Å; R270-W300 HydrophobicContact CB-CE3 4.12Å; R270-W300 HydrophobicContact CB-CH2 4.13Å; R270-W300 HydrophobicContact CB-CZ3 3.88Å; R270-W300 HydrophobicContact CG-CD2 4.37Å; R270-W300 HydrophobicContact CG-CE3 4.31Å; R270-W300 HydrophobicContact CG-CH2 3.79Å; R270-W300 HydrophobicContact CG-CZ2 3.83Å; R270-W300 HydrophobicContact CG-CZ3 4.03Å; F273-W300 AromaticContact CD1-CH2 3.88Å; F273-W300 HydrophobicContact CD1-CH2 3.88Å; F273-W300 HydrophobicContact CD1-CZ3 4.06Å; F273-W300 HydrophobicContact CE1-CH2 4.28Å; M274-W300 HydrophobicContact CG-CE3 4.28Å; M274-W300 HydrophobicContact CG-CZ3 3.91Å; M274-W300 HydrophobicContact SD-CE3 3.92Å; M274-W300 HydrophobicContact SD-CZ3 4.18Å; K296-W300 HydrophobicContact CB-CH2 4.43Å; K296-W300 HydrophobicContact CB-CZ2 3.91Å; K296-W300 PolarHBondContact O-N 2.88Å; K296-W300 PolarHBondContact O-NE1 3.32Å; I297-W300 HydrophobicContact CB-CE3 4.48Å; I297-W300 HydrophobicContact CG1-CE3 4.24Å; I297-W300 HydrophobicContact CG1-CH2 4.4Å; I297-W300 HydrophobicContact CG1-CZ3 3.8Å; I297-W300 WeakPolarHBondContact O-CB 3.27Å; I297-W300 PolarHBondContact O-N 3.05Å; I298-W300 PolarHBondContact O-N 3.31Å; I298-W300 VanDerWaalsContact O-N 3.17Å; W300-Y307 HydrophobicContact CB-CD1 4.12Å; W300-Y307 HydrophobicContact CB-CE1 4.01Å; W300-H308 PolarHBondContact O-CD2 3.08Å; W300-F310 HydrophobicContact CB-CE1 3.93Å; W300-F310 HydrophobicContact CB-CZ 4.01Å; W300-F310 HydrophobicContact CD2-CZ 4.36Å; W300-F310 HydrophobicContact CG-CE1 4.05Å; W300-F310 HydrophobicContact CG-CZ 4.06Å
301	Q	98.3	Very high	96	Very high	30 Å²	30	46.7 Å²	46.7	14%	0.14	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-71.3	131.9	175.2	-165.1	171.6	30.4	0	0	110.2	S58 I298 G305 Y307	S58-Q301 VanDerWaalsContact CA-OE1 3.25Å; S58-Q301 PolarHBondContact O-NE2 2.94Å; S58-Q301 PolarHBondContact OG-OE1 3.17Å; I298-Q301 VanDerWaalsContact O-CB 3.3Å; I298-Q301 WeakPolarHBondContact O-CB 3.42Å; I298-Q301 PolarHBondContact O-N 2.97Å; I298-Q301 VanDerWaalsContact O-N 3.08Å; Q301-G305 WeakPolarHBondContact CG-O 3.26Å; Q301-G305 PolarHBondContact NE2-O 3.44Å; Q301-Y307 HydrophobicContact CB-CE1 4.25Å; Q301-Y307 HydrophobicContact CB-CE2 3.9Å; Q301-Y307 HydrophobicContact CG-CD2 4.22Å; Q301-Y307 HydrophobicContact CG-CE2 3.75Å
302	N	96.4	Very high	95.4	Very high	16 Å²	16	51.4 Å²	51.4	9%	0.086	26%	0.261	C	S	.	.			trans	-66.7	153.3	172.8	-167.1	-90.6	0	0	0	110.3	R304 G305 C306 Q343	N302-R304 PolarHBondContact O-N 2.8Å; N302-R304 WeakPolarHBondContact OD1-CB 3.48Å; N302-R304 WeakPolarHBondContact OD1-CG 3.32Å; N302-R304 PolarHBondContact OD1-N 3.48Å; N302-G305 WeakPolarHBondContact O-CA 3.41Å; N302-G305 PolarHBondContact O-N 3.06Å; N302-C306 WeakPolarHBondContact CB-O 3.39Å; N302-C306 PolarHBondContact N-O 2.78Å; N302-Q343 PolarHBondContact ND2-OE1 3.09Å
303	I	95.2	Very high	95	Very high	171 Å²	171	47.3 Å²	47.3	88%	0.877	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-23.1	173.4	-165.8	165	0	0	0	113.5	G305	I303-G305 VanDerWaalsContact C-N 3.29Å
304	R	96	Very high	94.2	Very high	152 Å²	152	54.2 Å²	54.2	57%	0.574	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-10.6	174	-63.3	176.5	-176.5	168	0.9	113.9	Y65 N302	Y65-R304 HydrophobicContact CD2-CB 3.88Å; Y65-R304 WeakPolarHBondContact CD2-O 3.21Å; Y65-R304 HydrophobicContact CE2-CB 3.96Å; N302-R304 PolarHBondContact O-N 2.8Å; N302-R304 WeakPolarHBondContact OD1-CB 3.48Å; N302-R304 WeakPolarHBondContact OD1-CG 3.32Å; N302-R304 PolarHBondContact OD1-N 3.48Å
305	G	97.9	Very high	93.6	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.01	28%	0.277	C	S	.	.	S	Bend	trans	99	-14.8	179.6	0	0	0	0	0	115.7	A62 Q301 N302 I303	A62-G305 WeakPolarHBondContact CA-O 3.12Å; A62-G305 WeakPolarHBondContact CB-O 3.41Å; A62-G305 PolarHBondContact N-O 2.88Å; Q301-G305 WeakPolarHBondContact CG-O 3.26Å; Q301-G305 PolarHBondContact NE2-O 3.44Å; N302-G305 WeakPolarHBondContact O-CA 3.41Å; N302-G305 PolarHBondContact O-N 3.06Å; I303-G305 VanDerWaalsContact C-N 3.29Å
306	C	98.5	Very high	93.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-78.1	168.9	175.5	79	0	0	0	0	111.9	Y65 N302 C345	Y65-C306 HydrophobicContact CD1-CB 3.41Å; Y65-C306 VanDerWaalsContact CD1-CB 3.41Å; Y65-C306 HydrophobicContact CD2-CB 4.25Å; Y65-C306 HydrophobicContact CE1-CB 3.51Å; Y65-C306 HydrophobicContact CE2-CB 4.36Å; Y65-C306 HydrophobicContact CG-CB 3.81Å; N302-C306 WeakPolarHBondContact CB-O 3.39Å; N302-C306 PolarHBondContact N-O 2.78Å; C306-C345 HydrophobicContact CB-CB 3.52Å; C306-C345 WeakPolarHBondContact CB-SG 3.14Å; C306-C345 VanDerWaalsContact SG-CA 3.55Å; C306-C345 WeakPolarHBondContact SG-CB 3.35Å; C306-C345 CovalentContact SG-SG 2.01Å; C306-C345 PolarHBondContact SG-SG 2.71Å
307	Y	98.3	Very high	92.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-101.3	145.5	158.8	-71.8	-110.6	0	0	0	109.4	M274 I297 W300 Q301 L346 T350 A353	M274-Y307 HydrophobicContact CE-CD1 4.38Å; M274-Y307 HydrophobicContact SD-CD1 4.11Å; M274-Y307 HydrophobicContact SD-CE1 3.95Å; I297-Y307 HydrophobicContact CG2-CE1 4.25Å; I297-Y307 VanDerWaalsContact O-CE1 3.29Å; I297-Y307 WeakPolarHBondContact O-CE1 3.4Å; I297-Y307 PolarHBondContact O-OH 3.42Å; W300-Y307 HydrophobicContact CB-CD1 4.12Å; W300-Y307 HydrophobicContact CB-CE1 4.01Å; Q301-Y307 HydrophobicContact CB-CE1 4.25Å; Q301-Y307 HydrophobicContact CB-CE2 3.9Å; Q301-Y307 HydrophobicContact CG-CD2 4.22Å; Q301-Y307 HydrophobicContact CG-CE2 3.75Å; Y307-L346 PolarHBondContact O-N 3.32Å; Y307-T350 PolarHBondContact N-OG1 3.1Å; Y307-T350 PolarHBondContact O-OG1 2.8Å; Y307-A353 HydrophobicContact CD1-CB 3.64Å; Y307-A353 HydrophobicContact CD2-CB 3.37Å; Y307-A353 HydrophobicContact CE1-CB 3.53Å; Y307-A353 HydrophobicContact CE2-CB 3.3Å; Y307-A353 HydrophobicContact CG-CB 3.56Å
308	H	95.7	Very high	92.1	Very high	16 Å²	16	59.4 Å²	59.4	7%	0.074	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-125.8	164.6	-164.1	63.9	87.3	0	0	0	112.4	W300 F310 Q343 A344 R349	W300-H308 PolarHBondContact O-CD2 3.08Å; H308-F310 PolarHBondContact O-N 2.74Å; H308-Q343 HydrophobicContact CB-CB 4.2Å; H308-A344 CarbonylContact C-O 3.36Å; H308-A344 VanDerWaalsContact CA-O 3.25Å; H308-A344 WeakPolarHBondContact CA-O 3.45Å; H308-A344 WeakPolarHBondContact CB-O 3.35Å; H308-R349 WeakPolarHBondContact O-CD 3.32Å; H308-R349 PolarHBondContact O-NH1 3.46Å
309	K	94	Very high	91.6	Very high	58 Å²	58	58.8 Å²	58.8	25%	0.252	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-59.4	132	165.5	-178.1	177.1	177.1	176.9	0	109.7	E313 M315 A344 L346	K309-E313 WeakPolarHBondContact CE-O 3.33Å; K309-E313 HydrophobicContact CG-CB 4.31Å; K309-E313 PolarHBondContact NZ-O 3.16Å; K309-M315 HydrophobicContact CB-SD 4.31Å; K309-M315 HydrophobicContact CD-SD 4.04Å; K309-M315 HydrophobicContact CG-SD 3.9Å; K309-A344 PolarHBondContact N-O 3.37Å; K309-L346 HydrophobicContact CB-CD1 4.05Å; K309-L346 HydrophobicContact CB-CG 4.38Å
310	F	91	Very high	91.2	Very high	9 Å²	9	56.9 Å²	56.9	4%	0.039	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-80.4	154.8	177.6	-60.6	-65	0	0	0	111.5	T267 R270 W300 H308 T312 E313	T267-F310 HydrophobicContact CG2-CB 3.72Å; T267-F310 HydrophobicContact CG2-CD2 4.39Å; T267-F310 HydrophobicContact CG2-CG 4.11Å; R270-F310 HydrophobicContact CB-CE2 3.66Å; R270-F310 HydrophobicContact CB-CZ 4.08Å; R270-F310 HydrophobicContact CG-CE2 4.13Å; R270-F310 HydrophobicContact CG-CZ 4.39Å; R270-F310 VanDerWaalsContact NH1-CE1 3.26Å; W300-F310 HydrophobicContact CB-CE1 3.93Å; W300-F310 HydrophobicContact CB-CZ 4.01Å; W300-F310 HydrophobicContact CD2-CZ 4.36Å; W300-F310 HydrophobicContact CG-CE1 4.05Å; W300-F310 HydrophobicContact CG-CZ 4.06Å; H308-F310 PolarHBondContact O-N 2.74Å; F310-T312 PolarHBondContact O-N 3.24Å; F310-E313 HydrophobicContact CB-CB 4.25Å; F310-E313 PolarHBondContact N-OE2 3.35Å; F310-E313 VanDerWaalsContact O-CB 3.29Å; F310-E313 WeakPolarHBondContact O-CB 3.35Å; F310-E313 PolarHBondContact O-N 2.74Å
311	D	83.9	Confident	90.9	Very high	94 Å²	94	59.2 Å²	59.2	50%	0.503	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	140.2	171.1	-69.8	-35.2	0	0	0	109.1	E313	D311-E313 PolarHBondContact O-N 2.6Å
312	T	80.4	Confident	90.2	Very high	134 Å²	134	60.4 Å²	60.4	82%	0.822	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	-2.9	-175.6	68.8	0	0	0	0	116.6	F310 E314	F310-T312 PolarHBondContact O-N 3.24Å; T312-E314 PolarHBondContact O-N 3.15Å
313	E	85.7	Confident	89.7	Confident	12 Å²	12	66.4 Å²	66.4	6%	0.056	34%	0.342	C	S	.	.			trans	-68.3	123	177.2	-172.9	-179.8	-173.3	0	0	111.6	K309 F310 D311 M315 R349	K309-E313 WeakPolarHBondContact CE-O 3.33Å; K309-E313 HydrophobicContact CG-CB 4.31Å; K309-E313 PolarHBondContact NZ-O 3.16Å; F310-E313 HydrophobicContact CB-CB 4.25Å; F310-E313 PolarHBondContact N-OE2 3.35Å; F310-E313 VanDerWaalsContact O-CB 3.29Å; F310-E313 WeakPolarHBondContact O-CB 3.35Å; F310-E313 PolarHBondContact O-N 2.74Å; D311-E313 PolarHBondContact O-N 2.6Å; E313-M315 HydrophobicContact CG-CG 3.85Å; E313-R349 IonicContact OE1-CZ 3.08Å; E313-R349 IonicContact OE1-NH1 3.41Å; E313-R349 IonicContact OE1-NH2 3.88Å; E313-R349 PolarHBondContact OE1-NH2 3.47Å; E313-R349 IonicContact OE2-CZ 2.55Å; E313-R349 IonicContact OE2-NH1 3.8Å; E313-R349 PolarHBondContact OE2-NH1 3.08Å; E313-R349 IonicContact OE2-NH2 3.13Å; E313-R349 PolarHBondContact OE2-NH2 3.36Å
314	E	80.6	Confident	89.1	Confident	152 Å²	152	60.1 Å²	60.1	71%	0.71	31%	0.31	S	S	*	.			trans	-93.5	105.2	172.7	-67.4	-171.3	-177.7	0	0	109.4	T312	T312-E314 PolarHBondContact O-N 3.15Å
315	M	86.4	Confident	88.5	Confident	25 Å²	25	53 Å²	53	12%	0.123	28%	0.283	C	S	.	.			trans	-100	134.7	177	-59.1	-175.6	79.6	0	0	109.4	K309 E313 P317 F320 E335 L346	K309-M315 HydrophobicContact CB-SD 4.31Å; K309-M315 HydrophobicContact CD-SD 4.04Å; K309-M315 HydrophobicContact CG-SD 3.9Å; E313-M315 HydrophobicContact CG-CG 3.85Å; M315-P317 WeakPolarHBondContact O-CD 3.37Å; M315-F320 HydrophobicContact CB-CE2 3.76Å; M315-F320 HydrophobicContact CB-CZ 4.1Å; M315-F320 HydrophobicContact CE-CE2 4.41Å; M315-F320 HydrophobicContact CE-CZ 3.77Å; M315-F320 HydrophobicContact SD-CE2 4.37Å; M315-F320 HydrophobicContact SD-CZ 3.73Å; M315-E335 HydrophobicContact CE-CG 3.96Å; M315-L346 HydrophobicContact CE-CD1 3.79Å; M315-L346 HydrophobicContact SD-CD1 3.82Å; M315-L346 HydrophobicContact SD-CD2 4.47Å
316	N	86.8	Confident	87.4	Confident	65 Å²	65	53 Å²	53	35%	0.348	28%	0.283	S	S	.	.			trans	-61.9	126.1	178.3	-169.2	-35.3	0	0	0	109.7	E318 N319 K332	N316-E318 PolarHBondContact O-N 2.78Å; N316-E318 VanDerWaalsContact O-N 3.13Å; N316-E318 WeakPolarHBondContact OD1-CB 3.48Å; N316-E318 PolarHBondContact OD1-N 3.25Å; N316-N319 VanDerWaalsContact O-CB 3.24Å; N316-N319 WeakPolarHBondContact O-CB 3.31Å; N316-N319 PolarHBondContact O-N 2.01Å; N316-K332 WeakPolarHBondContact ND2-CE 3.23Å
317	P	86.8	Confident	86.3	Confident	106 Å²	106	57 Å²	57	69%	0.688	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-54.9	-30.9	177.7	-27.3	35.4	0	0	0	113.7	M315 N319 F320	M315-P317 WeakPolarHBondContact O-CD 3.37Å; P317-N319 PolarHBondContact O-N 2.88Å; P317-F320 PolarHBondContact O-N 3.32Å; P317-F320 VanDerWaalsContact O-N 3.09Å
318	E	87.9	Confident	85.1	Confident	85 Å²	85	57.2 Å²	57.2	40%	0.397	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-65.3	-18.9	176	-71	-170.4	-110.6	0	0	113.4	N316 F320 D321 I324 Y328 K332	N316-E318 PolarHBondContact O-N 2.78Å; N316-E318 VanDerWaalsContact O-N 3.13Å; N316-E318 WeakPolarHBondContact OD1-CB 3.48Å; N316-E318 PolarHBondContact OD1-N 3.25Å; E318-F320 PolarHBondContact O-N 3.4Å; E318-D321 PolarHBondContact O-N 2.94Å; E318-I324 HydrophobicContact CB-CD1 3.54Å; E318-I324 HydrophobicContact CG-CD1 3.9Å; E318-I324 VanDerWaalsContact O-CD1 3.28Å; E318-I324 WeakPolarHBondContact O-CD1 3.45Å; E318-Y328 WeakPolarHBondContact O-CE1 3.39Å; E318-Y328 PolarHBondContact O-OH 3.41Å; E318-K332 HydrophobicContact CB-CD 4.16Å; E318-K332 IonicContact OE1-NZ 3.82Å; E318-K332 PolarHBondContact OE1-NZ 3.01Å; E318-K332 IonicContact OE2-NZ 3.08Å; E318-K332 PolarHBondContact OE2-NZ 3.31Å
319	N	87.9	Confident	83.4	Confident	14 Å²	14	65 Å²	65	8%	0.075	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-65.3	-18.1	173.1	-67.7	-5.8	0	0	0	112.1	N316 P317 Y325 Y328 K332 R333 E335	N316-N319 VanDerWaalsContact O-CB 3.24Å; N316-N319 WeakPolarHBondContact O-CB 3.31Å; N316-N319 PolarHBondContact O-N 2.01Å; P317-N319 PolarHBondContact O-N 2.88Å; N319-Y325 WeakPolarHBondContact O-CE1 3.49Å; N319-Y328 WeakPolarHBondContact CA-OH 2.99Å; N319-K332 WeakPolarHBondContact OD1-CA 3.38Å; N319-K332 WeakPolarHBondContact OD1-CB 3.43Å; N319-R333 CarbonylContact C-O 3.57Å; N319-R333 WeakPolarHBondContact CA-O 3.49Å; N319-R333 WeakPolarHBondContact CB-O 3.4Å; N319-R333 VanDerWaalsContact O-O 3.09Å; N319-R333 PolarHBondContact OD1-N 3.47Å; N319-E335 HydrophobicContact CB-CB 4.2Å; N319-E335 CarbonylContact O-C 3.6Å; N319-E335 WeakPolarHBondContact O-CA 3.29Å; N319-E335 PolarHBondContact O-N 3.39Å
320	F	90.7	Very high	81.8	Confident	40 Å²	40	71.7 Å²	71.7	18%	0.175	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-111.4	15.9	-174	-56.1	-86.5	0	0	0	113.5	M315 P317 E318 P322 E335 F337 L346	M315-F320 HydrophobicContact CB-CE2 3.76Å; M315-F320 HydrophobicContact CB-CZ 4.1Å; M315-F320 HydrophobicContact CE-CE2 4.41Å; M315-F320 HydrophobicContact CE-CZ 3.77Å; M315-F320 HydrophobicContact SD-CE2 4.37Å; M315-F320 HydrophobicContact SD-CZ 3.73Å; P317-F320 PolarHBondContact O-N 3.32Å; P317-F320 VanDerWaalsContact O-N 3.09Å; E318-F320 PolarHBondContact O-N 3.4Å; F320-P322 WeakPolarHBondContact O-CD 3.44Å; F320-E335 WeakPolarHBondContact CA-O 3.33Å; F320-E335 HydrophobicContact CD1-CB 4.37Å; F320-E335 HydrophobicContact CD1-CG 4.13Å; F320-E335 WeakPolarHBondContact CD1-O 3.48Å; F320-E335 HydrophobicContact CE1-CB 4.13Å; F320-E335 HydrophobicContact CE1-CG 3.48Å; F320-E335 VanDerWaalsContact CE1-CG 3.48Å; F320-E335 HydrophobicContact CZ-CG 3.94Å; F320-F337 AromaticContact CD1-CD2 3.38Å; F320-F337 HydrophobicContact CD1-CD2 3.38Å; F320-F337 AromaticContact CD1-CE2 3.39Å; F320-F337 HydrophobicContact CD1-CE2 3.39Å; F320-F337 HydrophobicContact CD1-CG 4.01Å; F320-F337 HydrophobicContact CD1-CZ 4.02Å; F320-F337 AromaticContact CD2-CE2 3.97Å; F320-F337 HydrophobicContact CD2-CE2 3.97Å; F320-F337 HydrophobicContact CD2-CZ 4.47Å; F320-F337 AromaticContact CE1-CD1 3.93Å; F320-F337 HydrophobicContact CE1-CD1 3.93Å; F320-F337 AromaticContact CE1-CD2 3.5Å; F320-F337 HydrophobicContact CE1-CD2 3.5Å; F320-F337 VanDerWaalsContact CE1-CD2 3.5Å; F320-F337 AromaticContact CE1-CE1 3.71Å; F320-F337 HydrophobicContact CE1-CE1 3.71Å; F320-F337 AromaticContact CE1-CE2 3.24Å; F320-F337 HydrophobicContact CE1-CE2 3.24Å; F320-F337 AromaticContact CE1-CG 3.83Å; F320-F337 HydrophobicContact CE1-CG 3.83Å; F320-F337 AromaticContact CE1-CZ 3.36Å; F320-F337 HydrophobicContact CE1-CZ 3.36Å; F320-F337 AromaticContact CE2-CE2 3.87Å; F320-F337 HydrophobicContact CE2-CE2 3.87Å; F320-F337 AromaticContact CE2-CZ 3.91Å; F320-F337 HydrophobicContact CE2-CZ 3.91Å; F320-F337 HydrophobicContact CG-CD2 4.01Å; F320-F337 AromaticContact CG-CE2 3.73Å; F320-F337 HydrophobicContact CG-CE2 3.73Å; F320-F337 HydrophobicContact CZ-CD2 4.24Å; F320-F337 AromaticContact CZ-CE1 3.89Å; F320-F337 HydrophobicContact CZ-CE1 3.89Å; F320-F337 AromaticContact CZ-CE2 3.51Å; F320-F337 HydrophobicContact CZ-CE2 3.51Å; F320-F337 AromaticContact CZ-CZ 3.3Å; F320-F337 HydrophobicContact CZ-CZ 3.3Å; F320-L346 HydrophobicContact CE1-CD2 3.81Å; F320-L346 HydrophobicContact CZ-CD2 4.21Å
321	D	90	Very high	80.5	Confident	63 Å²	63	76.4 Å²	76.4	34%	0.337	38%	0.377	S	S	.	.			trans	-105.6	103.6	177.9	179.1	2.3	0	0	0	109.7	E318 D323 I324 Y325	E318-D321 PolarHBondContact O-N 2.94Å; D321-D323 PolarHBondContact O-N 2.93Å; D321-D323 WeakPolarHBondContact OD1-CB 3.31Å; D321-D323 PolarHBondContact OD1-N 3.07Å; D321-D323 VanDerWaalsContact OD1-N 3.08Å; D321-I324 HydrophobicContact CB-CD1 3.9Å; D321-I324 HydrophobicContact CB-CG1 3.75Å; D321-I324 WeakPolarHBondContact O-CG1 3.3Å; D321-I324 PolarHBondContact O-N 3.47Å; D321-I324 VanDerWaalsContact O-N 3.16Å; D321-Y325 VanDerWaalsContact O-CD1 3.26Å; D321-Y325 WeakPolarHBondContact O-CD1 3.35Å; D321-Y325 VanDerWaalsContact O-CE1 3.27Å; D321-Y325 WeakPolarHBondContact O-CE1 3.47Å
322	P	84.8	Confident	80	Confident	56 Å²	56	73.3 Å²	73.3	36%	0.364	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-61.8	-22.2	-178.5	-23.4	34.6	0	0	0	114.5	T129 F320 I324 Y325	T129-P322 HydrophobicContact CG2-CB 4.1Å; F320-P322 WeakPolarHBondContact O-CD 3.44Å; P322-I324 PolarHBondContact O-N 3.3Å; P322-Y325 HydrophobicContact CB-CD2 4.22Å; P322-Y325 HydrophobicContact CB-CE2 3.96Å; P322-Y325 HydrophobicContact CG-CE2 4.2Å; P322-Y325 PolarHBondContact O-N 2.96Å
323	D	85.4	Confident	79.9	Confident	142 Å²	142	69.6 Å²	69.6	76%	0.759	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-72	-16.1	-179.5	-68.7	-29.6	0	0	0	112	D321	D321-D323 PolarHBondContact O-N 2.93Å; D321-D323 WeakPolarHBondContact OD1-CB 3.31Å; D321-D323 PolarHBondContact OD1-N 3.07Å; D321-D323 VanDerWaalsContact OD1-N 3.08Å
324	I	82.6	Confident	80	Confident	38 Å²	38	69 Å²	69	20%	0.195	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-110.7	4.9	177.7	62.8	176.3	0	0	0	114.1	E318 D321 P322 G326 H327 Y328	E318-I324 HydrophobicContact CB-CD1 3.54Å; E318-I324 HydrophobicContact CG-CD1 3.9Å; E318-I324 VanDerWaalsContact O-CD1 3.28Å; E318-I324 WeakPolarHBondContact O-CD1 3.45Å; D321-I324 HydrophobicContact CB-CD1 3.9Å; D321-I324 HydrophobicContact CB-CG1 3.75Å; D321-I324 WeakPolarHBondContact O-CG1 3.3Å; D321-I324 PolarHBondContact O-N 3.47Å; D321-I324 VanDerWaalsContact O-N 3.16Å; P322-I324 PolarHBondContact O-N 3.3Å; I324-G326 PolarHBondContact O-N 3.25Å; I324-H327 HydrophobicContact CB-CB 4.49Å; I324-H327 WeakPolarHBondContact O-CA 3.46Å; I324-H327 VanDerWaalsContact O-CB 3.31Å; I324-H327 WeakPolarHBondContact O-CB 3.2Å; I324-H327 PolarHBondContact O-N 2.85Å; I324-Y328 HydrophobicContact CB-CE1 4.39Å; I324-Y328 HydrophobicContact CD1-CD1 4.3Å; I324-Y328 HydrophobicContact CD1-CE1 3.61Å; I324-Y328 HydrophobicContact CG1-CD1 4.45Å; I324-Y328 HydrophobicContact CG1-CE1 3.68Å
325	Y	82.6	Confident	80.5	Confident	4 Å²	4	61.9 Å²	61.9	2%	0.016	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	133.2	173.4	-68.3	-6.4	0	0	0	111.3	N74 T129 Y132 N319 D321 P322 H327 Y328 S334 E335	N74-Y325 HydrophobicContact CB-CE2 4.26Å; T129-Y325 HydrophobicContact CG2-CD2 4.1Å; Y132-Y325 HydrophobicContact CD1-CD2 4.45Å; N319-Y325 WeakPolarHBondContact O-CE1 3.49Å; D321-Y325 VanDerWaalsContact O-CD1 3.26Å; D321-Y325 WeakPolarHBondContact O-CD1 3.35Å; D321-Y325 VanDerWaalsContact O-CE1 3.27Å; D321-Y325 WeakPolarHBondContact O-CE1 3.47Å; P322-Y325 HydrophobicContact CB-CD2 4.22Å; P322-Y325 HydrophobicContact CB-CE2 3.96Å; P322-Y325 HydrophobicContact CG-CE2 4.2Å; P322-Y325 PolarHBondContact O-N 2.96Å; Y325-H327 PolarHBondContact O-N 2.84Å; Y325-Y328 HydrophobicContact CD1-CE2 4.23Å; Y325-Y328 VanDerWaalsContact CD1-OH 3.26Å; Y325-Y328 WeakPolarHBondContact CD1-OH 3.07Å; Y325-Y328 WeakPolarHBondContact CE1-OH 3.36Å; Y325-S334 WeakPolarHBondContact CD1-OG 3.37Å; Y325-E335 PolarHBondContact OH-O 3.06Å
326	G	74.7	Confident	80.9	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	7	-171.6	0	0	0	0	0	114.8	R135 Y172 I324	R135-G326 PolarHBondContact NH1-O 3.24Å; Y172-G326 WeakPolarHBondContact CD2-O 3.49Å; I324-G326 PolarHBondContact O-N 3.25Å
327	H	75.6	Confident	81.3	Confident	84 Å²	84	63.4 Å²	63.4	39%	0.389	30%	0.297	S	S	.	.			trans	-108	1.8	176.1	-72.2	-72.9	0	0	0	114.4	F131 I324 Y325 K329	F131-H327 AromaticContact CD1-CD2 3.97Å; F131-H327 AromaticContact CD1-NE2 3.41Å; F131-H327 WeakPolarHBondContact CD1-NE2 3.34Å; F131-H327 AromaticContact CE1-CD2 3.64Å; F131-H327 AromaticContact CE1-CE1 3.26Å; F131-H327 WeakPolarHBondContact CE1-CE1 3.46Å; F131-H327 AromaticContact CE1-ND1 3.89Å; F131-H327 AromaticContact CE1-NE2 3.06Å; F131-H327 WeakPolarHBondContact CE1-NE2 3.47Å; F131-H327 AromaticContact CZ-CE1 3.27Å; F131-H327 WeakPolarHBondContact CZ-CE1 3.16Å; F131-H327 AromaticContact CZ-NE2 3.51Å; I324-H327 HydrophobicContact CB-CB 4.49Å; I324-H327 WeakPolarHBondContact O-CA 3.46Å; I324-H327 VanDerWaalsContact O-CB 3.31Å; I324-H327 WeakPolarHBondContact O-CB 3.2Å; I324-H327 PolarHBondContact O-N 2.85Å; Y325-H327 PolarHBondContact O-N 2.84Å; H327-K329 PolarHBondContact O-N 3.49Å
328	Y	73.8	Confident	81.8	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.016	27%	0.265	C	S	.	.			trans	-66.8	131	-174.6	-56.8	-62.1	0	0	0	112.8	T170 E171 Y172 E318 N319 I324 Y325 K332 R333	T170-Y328 WeakPolarHBondContact CB-O 3.31Å; E171-Y328 HydrophobicContact CB-CD2 4.27Å; E171-Y328 VanDerWaalsContact CD-CD2 3.43Å; E171-Y328 HydrophobicContact CG-CD2 4.37Å; E171-Y328 WeakPolarHBondContact OE2-CD2 3.26Å; E171-Y328 WeakPolarHBondContact OE2-CE2 3.26Å; Y172-Y328 WeakPolarHBondContact CB-O 3.37Å; Y172-Y328 PolarHBondContact N-O 3.43Å; E318-Y328 WeakPolarHBondContact O-CE1 3.39Å; E318-Y328 PolarHBondContact O-OH 3.41Å; N319-Y328 WeakPolarHBondContact CA-OH 2.99Å; I324-Y328 HydrophobicContact CB-CE1 4.39Å; I324-Y328 HydrophobicContact CD1-CD1 4.3Å; I324-Y328 HydrophobicContact CD1-CE1 3.61Å; I324-Y328 HydrophobicContact CG1-CD1 4.45Å; I324-Y328 HydrophobicContact CG1-CE1 3.68Å; Y325-Y328 HydrophobicContact CD1-CE2 4.23Å; Y325-Y328 VanDerWaalsContact CD1-OH 3.26Å; Y325-Y328 WeakPolarHBondContact CD1-OH 3.07Å; Y325-Y328 WeakPolarHBondContact CE1-OH 3.36Å; Y328-K332 HydrophobicContact CD1-CB 3.43Å; Y328-K332 VanDerWaalsContact CD1-CB 3.43Å; Y328-K332 HydrophobicContact CD1-CD 3.17Å; Y328-K332 HydrophobicContact CD1-CG 3.89Å; Y328-K332 HydrophobicContact CD2-CB 3.84Å; Y328-K332 HydrophobicContact CE1-CB 3.7Å; Y328-K332 HydrophobicContact CE1-CD 3.58Å; Y328-K332 HydrophobicContact CE1-CG 4.22Å; Y328-K332 HydrophobicContact CE2-CB 4.1Å; Y328-K332 HydrophobicContact CG-CB 3.44Å; Y328-K332 VanDerWaalsContact CG-CB 3.44Å; Y328-K332 HydrophobicContact CG-CD 3.95Å; Y328-K332 HydrophobicContact CG-CG 4.28Å; Y328-R333 PolarHBondContact OH-O 3.49Å
329	K	59.7	Low	82.2	Confident	180 Å²	180	55.2 Å²	55.2	78%	0.783	25%	0.252	S	S	*	.	S	Bend	trans	-101.4	8.3	176.7	-61.3	-177.5	179.8	177.6	0	113.4	T170 H327	T170-K329 WeakPolarHBondContact CG2-O 3.47Å; H327-K329 PolarHBondContact O-N 3.49Å
330	R	60	Low	82.4	Confident	198 Å²	198	63.2 Å²	63.2	75%	0.747	29%	0.289	S	S	*	.	S	Bend	trans	-152.1	169	180	-65.7	-171.8	180	156.5	-0.2	108.7	K332	R330-K332 PolarHBondContact O-N 3.32Å
331	R	65.3	Low	82.3	Confident	109 Å²	109	64.2 Å²	64.2	41%	0.411	31%	0.31	S	S	.	.	S	Bend	trans	-50.5	100.7	171.3	-69.5	-174.6	-179.8	-176.3	-2.3	110.9	D167 E207 Y208	D167-R331 IonicContact OD1-CZ 2.66Å; D167-R331 VanDerWaalsContact OD1-CZ 3.26Å; D167-R331 IonicContact OD1-NE 3.59Å; D167-R331 PolarHBondContact OD1-NE 3.42Å; D167-R331 VanDerWaalsContact OD1-NE 3.08Å; D167-R331 IonicContact OD1-NH2 3.62Å; D167-R331 PolarHBondContact OD1-NH2 3.09Å; D167-R331 VanDerWaalsContact OD2-CD 3.31Å; D167-R331 WeakPolarHBondContact OD2-CD 3.46Å; D167-R331 WeakPolarHBondContact OD2-CG 3.15Å; D167-R331 IonicContact OD2-CZ 3.76Å; D167-R331 IonicContact OD2-NE 2.71Å; D167-R331 PolarHBondContact OD2-NE 2.82Å; D167-R331 IonicContact OD2-NH2 3.7Å; E207-R331 IonicContact OE2-CZ 2.74Å; E207-R331 IonicContact OE2-NH1 2.93Å; E207-R331 PolarHBondContact OE2-NH1 3.38Å; E207-R331 IonicContact OE2-NH2 3.51Å; Y208-R331 HydrophobicContact CD1-CG 4.49Å
332	K	73.1	Confident	82.1	Confident	28 Å²	28	71.5 Å²	71.5	12%	0.122	33%	0.333	C	S	.	.			trans	-143.9	169.7	175.1	-73.4	177.9	175.5	165	0	106.5	E171 N316 E318 N319 Y328 R330	E171-K332 VanDerWaalsContact OE2-O 3.11Å; N316-K332 WeakPolarHBondContact ND2-CE 3.23Å; E318-K332 HydrophobicContact CB-CD 4.16Å; E318-K332 IonicContact OE1-NZ 3.82Å; E318-K332 PolarHBondContact OE1-NZ 3.01Å; E318-K332 IonicContact OE2-NZ 3.08Å; E318-K332 PolarHBondContact OE2-NZ 3.31Å; N319-K332 WeakPolarHBondContact OD1-CA 3.38Å; N319-K332 WeakPolarHBondContact OD1-CB 3.43Å; Y328-K332 HydrophobicContact CD1-CB 3.43Å; Y328-K332 VanDerWaalsContact CD1-CB 3.43Å; Y328-K332 HydrophobicContact CD1-CD 3.17Å; Y328-K332 HydrophobicContact CD1-CG 3.89Å; Y328-K332 HydrophobicContact CD2-CB 3.84Å; Y328-K332 HydrophobicContact CE1-CB 3.7Å; Y328-K332 HydrophobicContact CE1-CD 3.58Å; Y328-K332 HydrophobicContact CE1-CG 4.22Å; Y328-K332 HydrophobicContact CE2-CB 4.1Å; Y328-K332 HydrophobicContact CG-CB 3.44Å; Y328-K332 VanDerWaalsContact CG-CB 3.44Å; Y328-K332 HydrophobicContact CG-CD 3.95Å; Y328-K332 HydrophobicContact CG-CG 4.28Å; R330-K332 PolarHBondContact O-N 3.32Å
333	R	78.3	Confident	82.4	Confident	56 Å²	56	73.1 Å²	73.1	21%	0.211	34%	0.336	C	S	.	.			trans	-138.1	137.9	-177.3	-59.1	-179.4	-173.7	148.9	5.5	107.9	D271 N319 Y328 E335	D271-R333 IonicContact OD1-CZ 2.68Å; D271-R333 IonicContact OD1-NE 2.86Å; D271-R333 PolarHBondContact OD1-NE 2.96Å; D271-R333 IonicContact OD1-NH1 2.95Å; D271-R333 PolarHBondContact OD1-NH1 3.13Å; D271-R333 IonicContact OD1-NH2 3.09Å; D271-R333 IonicContact OD2-NH1 3.68Å; N319-R333 CarbonylContact C-O 3.57Å; N319-R333 WeakPolarHBondContact CA-O 3.49Å; N319-R333 WeakPolarHBondContact CB-O 3.4Å; N319-R333 VanDerWaalsContact O-O 3.09Å; N319-R333 PolarHBondContact OD1-N 3.47Å; Y328-R333 PolarHBondContact OH-O 3.49Å; R333-E335 VanDerWaalsContact C-N 3.35Å; R333-E335 PolarHBondContact O-N 2.73Å
334	S	86.5	Confident	82.8	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	30%	0.301	C	S	.	.			trans	-71.7	90.6	168.7	-65.1	0	0	0	0	108.5	N74 E171 Y325 H348	N74-S334 VanDerWaalsContact ND2-C 3.28Å; N74-S334 PolarHBondContact ND2-O 2.89Å; E171-S334 PolarHBondContact OE1-OG 2.92Å; Y325-S334 WeakPolarHBondContact CD1-OG 3.37Å; S334-H348 WeakPolarHBondContact O-CB 3.46Å
335	E	92.6	Very high	83.5	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.009	29%	0.292	C	S	.	.			trans	-117.6	146.4	-174	-178.5	58.8	-85	0	0	112.1	M315 N319 F320 Y325 R333 L346 S347 H348 R349	M315-E335 HydrophobicContact CE-CG 3.96Å; N319-E335 HydrophobicContact CB-CB 4.2Å; N319-E335 CarbonylContact O-C 3.6Å; N319-E335 WeakPolarHBondContact O-CA 3.29Å; N319-E335 PolarHBondContact O-N 3.39Å; F320-E335 WeakPolarHBondContact CA-O 3.33Å; F320-E335 HydrophobicContact CD1-CB 4.37Å; F320-E335 HydrophobicContact CD1-CG 4.13Å; F320-E335 WeakPolarHBondContact CD1-O 3.48Å; F320-E335 HydrophobicContact CE1-CB 4.13Å; F320-E335 HydrophobicContact CE1-CG 3.48Å; F320-E335 VanDerWaalsContact CE1-CG 3.48Å; F320-E335 HydrophobicContact CZ-CG 3.94Å; Y325-E335 PolarHBondContact OH-O 3.06Å; R333-E335 VanDerWaalsContact C-N 3.35Å; R333-E335 PolarHBondContact O-N 2.73Å; E335-L346 HydrophobicContact CG-CD2 3.89Å; E335-L346 WeakPolarHBondContact OE2-CB 3.33Å; E335-S347 PolarHBondContact OE1-N 2.96Å; E335-H348 HydrophobicContact CB-CB 4.46Å; E335-H348 PolarHBondContact OE1-N 2.75Å; E335-H348 WeakPolarHBondContact OE2-CB 3.12Å; E335-R349 PolarHBondContact OE2-N 3.26Å; E335-R349 VanDerWaalsContact OE2-N 3.1Å
336	Q	94.5	Very high	84.3	Confident	47 Å²	47	64.5 Å²	64.5	22%	0.22	29%	0.291	C	S	.	.			trans	-137.3	127.7	-176.6	-179.5	57.6	53	0	0	111.8	K72 N74 L338 S347	K72-Q336 WeakPolarHBondContact O-CG 3.45Å; N74-Q336 HydrophobicContact CB-CB 3.96Å; Q336-L338 HydrophobicContact CG-CD2 4.46Å; Q336-L338 PolarHBondContact O-N 3.44Å; Q336-S347 WeakPolarHBondContact O-CB 3.05Å; Q336-S347 PolarHBondContact O-N 3.46Å
337	F	95.1	Very high	85.4	Confident	75 Å²	75	64.5 Å²	64.5	33%	0.329	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-69.1	124.6	170.9	-72.3	-62.6	0	0	0	110.5	F320 A344 L346	F320-F337 AromaticContact CD1-CD2 3.38Å; F320-F337 HydrophobicContact CD1-CD2 3.38Å; F320-F337 AromaticContact CD1-CE2 3.39Å; F320-F337 HydrophobicContact CD1-CE2 3.39Å; F320-F337 HydrophobicContact CD1-CG 4.01Å; F320-F337 HydrophobicContact CD1-CZ 4.02Å; F320-F337 AromaticContact CD2-CE2 3.97Å; F320-F337 HydrophobicContact CD2-CE2 3.97Å; F320-F337 HydrophobicContact CD2-CZ 4.47Å; F320-F337 AromaticContact CE1-CD1 3.93Å; F320-F337 HydrophobicContact CE1-CD1 3.93Å; F320-F337 AromaticContact CE1-CD2 3.5Å; F320-F337 HydrophobicContact CE1-CD2 3.5Å; F320-F337 VanDerWaalsContact CE1-CD2 3.5Å; F320-F337 AromaticContact CE1-CE1 3.71Å; F320-F337 HydrophobicContact CE1-CE1 3.71Å; F320-F337 AromaticContact CE1-CE2 3.24Å; F320-F337 HydrophobicContact CE1-CE2 3.24Å; F320-F337 AromaticContact CE1-CG 3.83Å; F320-F337 HydrophobicContact CE1-CG 3.83Å; F320-F337 AromaticContact CE1-CZ 3.36Å; F320-F337 HydrophobicContact CE1-CZ 3.36Å; F320-F337 AromaticContact CE2-CE2 3.87Å; F320-F337 HydrophobicContact CE2-CE2 3.87Å; F320-F337 AromaticContact CE2-CZ 3.91Å; F320-F337 HydrophobicContact CE2-CZ 3.91Å; F320-F337 HydrophobicContact CG-CD2 4.01Å; F320-F337 AromaticContact CG-CE2 3.73Å; F320-F337 HydrophobicContact CG-CE2 3.73Å; F320-F337 HydrophobicContact CZ-CD2 4.24Å; F320-F337 AromaticContact CZ-CE1 3.89Å; F320-F337 HydrophobicContact CZ-CE1 3.89Å; F320-F337 AromaticContact CZ-CE2 3.51Å; F320-F337 HydrophobicContact CZ-CE2 3.51Å; F320-F337 AromaticContact CZ-CZ 3.3Å; F320-F337 HydrophobicContact CZ-CZ 3.3Å; F337-A344 HydrophobicContact CD1-CB 3.61Å; F337-A344 HydrophobicContact CE1-CB 3.77Å; F337-L346 HydrophobicContact CD1-CD2 3.59Å; F337-L346 HydrophobicContact CE1-CD2 3.62Å; F337-L346 HydrophobicContact CG-CD2 4.5Å
338	L	96.8	Very high	86.3	Confident	3 Å²	3	61.4 Å²	61.4	2%	0.016	28%	0.277	C	S	.	.	S	Bend	trans	-98.2	-24.7	174.3	-57.3	-178.2	0	0	0	111.7	Y65 L66 H69 K72 V73 Q336 C345	Y65-L338 HydrophobicContact CD1-CD1 4.35Å; Y65-L338 HydrophobicContact CE1-CB 3.92Å; Y65-L338 HydrophobicContact CE1-CD1 3.83Å; L66-L338 HydrophobicContact CD2-CD1 3.73Å; H69-L338 HydrophobicContact CB-CB 4.34Å; H69-L338 HydrophobicContact CB-CD2 4.46Å; H69-L338 PolarHBondContact CD2-O 2.69Å; H69-L338 VanDerWaalsContact CD2-O 3.28Å; K72-L338 HydrophobicContact CB-CD2 3.77Å; V73-L338 HydrophobicContact CG2-CD1 4.28Å; V73-L338 HydrophobicContact CG2-CD2 4.05Å; Q336-L338 HydrophobicContact CG-CD2 4.46Å; Q336-L338 PolarHBondContact O-N 3.44Å; L338-C345 HydrophobicContact CB-CB 4.06Å; L338-C345 PolarHBondContact N-O 3.25Å
339	S	95.9	Very high	87.4	Confident	16 Å²	16	61.2 Å²	61.2	11%	0.112	28%	0.276	C	S	.	.	S	Bend	trans	-138.4	173.7	172.8	78.2	0	0	0	0	111.9	A344 C345	S339-A344 VanDerWaalsContact O-CB 3.29Å; S339-A344 WeakPolarHBondContact O-CB 3.34Å; S339-C345 PolarHBondContact OG-N 2.91Å
340	E	91.5	Very high	89.3	Confident	182 Å²	182	52.7 Å²	52.7	85%	0.85	24%	0.239	S	C	*	.			trans	-101.6	169.1	174.7	-64	174.7	-167.6	0	0	111.6
341	G	89.5	Confident	91.1	Very high	61 Å²	61	43.5 Å²	43.5	63%	0.629	21%	0.205	S	C	*	.	S	Bend	trans	102.9	-176.4	174	0	0	0	0	0	114.6	Q343 A344	G341-Q343 PolarHBondContact O-N 3.29Å; G341-A344 WeakPolarHBondContact O-CB 3.46Å; G341-A344 PolarHBondContact O-N 3.12Å
342	R	86.6	Confident	92.7	Very high	216 Å²	216	38.7 Å²	38.7	82%	0.815	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-39.2	-176.1	-68.9	-174.8	179.6	178.8	-0.5	113
343	Q	90.3	Very high	93.9	Very high	91 Å²	91	37.4 Å²	37.4	43%	0.425	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	50.3	173.3	-63.8	-174.7	-25.8	0	0	110.3	N302 H308 G341 C345	N302-Q343 PolarHBondContact ND2-OE1 3.09Å; H308-Q343 HydrophobicContact CB-CB 4.2Å; G341-Q343 PolarHBondContact O-N 3.29Å; Q343-C345 PolarHBondContact O-N 3.33Å
344	A	94.4	Very high	94.9	Very high	3 Å²	3	34.7 Å²	34.7	3%	0.025	17%	0.172	C	C	.	.			trans	-58.9	127.1	176.2	0	0	0	0	0	110.2	H308 K309 F337 S339 G341	H308-A344 CarbonylContact C-O 3.36Å; H308-A344 VanDerWaalsContact CA-O 3.25Å; H308-A344 WeakPolarHBondContact CA-O 3.45Å; H308-A344 WeakPolarHBondContact CB-O 3.35Å; K309-A344 PolarHBondContact N-O 3.37Å; F337-A344 HydrophobicContact CD1-CB 3.61Å; F337-A344 HydrophobicContact CE1-CB 3.77Å; S339-A344 VanDerWaalsContact O-CB 3.29Å; S339-A344 WeakPolarHBondContact O-CB 3.34Å; G341-A344 WeakPolarHBondContact O-CB 3.46Å; G341-A344 PolarHBondContact O-N 3.12Å
345	C	97.6	Very high	95.5	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-66.5	138.8	176.2	-68.7	0	0	0	0	110.7	Y65 C306 L338 S339 Q343	Y65-C345 HydrophobicContact CE1-CB 3.58Å; Y65-C345 VanDerWaalsContact OH-CB 3.23Å; Y65-C345 WeakPolarHBondContact OH-CB 3.43Å; Y65-C345 PolarHBondContact OH-SG 2.87Å; C306-C345 HydrophobicContact CB-CB 3.52Å; C306-C345 WeakPolarHBondContact CB-SG 3.14Å; C306-C345 VanDerWaalsContact SG-CA 3.55Å; C306-C345 WeakPolarHBondContact SG-CB 3.35Å; C306-C345 CovalentContact SG-SG 2.01Å; C306-C345 PolarHBondContact SG-SG 2.71Å; L338-C345 HydrophobicContact CB-CB 4.06Å; L338-C345 PolarHBondContact N-O 3.25Å; S339-C345 PolarHBondContact OG-N 2.91Å; Q343-C345 PolarHBondContact O-N 3.33Å
346	L	97.6	Very high	95.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-119.1	134.2	-173.2	-69.9	-177.7	0	0	0	110.3	Y307 K309 M315 F320 E335 F337 R349 T350	Y307-L346 PolarHBondContact O-N 3.32Å; K309-L346 HydrophobicContact CB-CD1 4.05Å; K309-L346 HydrophobicContact CB-CG 4.38Å; M315-L346 HydrophobicContact CE-CD1 3.79Å; M315-L346 HydrophobicContact SD-CD1 3.82Å; M315-L346 HydrophobicContact SD-CD2 4.47Å; F320-L346 HydrophobicContact CE1-CD2 3.81Å; F320-L346 HydrophobicContact CZ-CD2 4.21Å; E335-L346 HydrophobicContact CG-CD2 3.89Å; E335-L346 WeakPolarHBondContact OE2-CB 3.33Å; F337-L346 HydrophobicContact CD1-CD2 3.59Å; F337-L346 HydrophobicContact CE1-CD2 3.62Å; F337-L346 HydrophobicContact CG-CD2 4.5Å; L346-R349 HydrophobicContact CB-CB 3.83Å; L346-R349 HydrophobicContact CD1-CB 4.2Å; L346-T350 VanDerWaalsContact O-CB 3.27Å; L346-T350 WeakPolarHBondContact O-CB 3.25Å; L346-T350 PolarHBondContact O-N 2.86Å; L346-T350 PolarHBondContact O-OG1 3.45Å
347	S	98	Very high	96	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-69.6	-56.6	-176.9	-173.5	0	0	0	0	111.9	V73 N74 G77 E335 Q336 T350 S351	V73-S347 WeakPolarHBondContact CG1-OG 3.47Å; N74-S347 PolarHBondContact N-OG 3.41Å; N74-S347 VanDerWaalsContact N-OG 3.13Å; N74-S347 VanDerWaalsContact OD1-CB 3.28Å; N74-S347 WeakPolarHBondContact OD1-CB 3.37Å; N74-S347 PolarHBondContact OD1-OG 2.63Å; G77-S347 WeakPolarHBondContact CA-O 3.34Å; G77-S347 WeakPolarHBondContact CA-OG 3.34Å; E335-S347 PolarHBondContact OE1-N 2.96Å; Q336-S347 WeakPolarHBondContact O-CB 3.05Å; Q336-S347 PolarHBondContact O-N 3.46Å; S347-T350 PolarHBondContact O-N 3.37Å; S347-S351 PolarHBondContact O-N 2.92Å; S347-S351 VanDerWaalsContact O-N 3.16Å
348	H	96	Very high	96.1	Very high	19 Å²	19	29 Å²	29	9%	0.088	15%	0.147	C	C	.	.	H	α-helix	trans	-64.6	-48.6	-179	167.4	105.7	0	0	0	110.5	D76 D271 S334 E335 T350 S351 V352	D76-H348 HydrophobicContact CB-CB 3.92Å; D76-H348 IonicContact OD2-CE1 3.77Å; D76-H348 IonicContact OD2-CG 2.97Å; D76-H348 IonicContact OD2-ND1 3.49Å; D76-H348 PolarHBondContact OD2-ND1 2.78Å; D271-H348 IonicContact OD1-CD2 2.74Å; D271-H348 IonicContact OD1-NE2 3.2Å; D271-H348 PolarHBondContact OD1-NE2 3.33Å; S334-H348 WeakPolarHBondContact O-CB 3.46Å; E335-H348 HydrophobicContact CB-CB 4.46Å; E335-H348 PolarHBondContact OE1-N 2.75Å; E335-H348 WeakPolarHBondContact OE2-CB 3.12Å; H348-T350 VanDerWaalsContact C-N 3.29Å; H348-T350 PolarHBondContact O-N 3.48Å; H348-S351 WeakPolarHBondContact O-CA 3.35Å; H348-S351 VanDerWaalsContact O-CB 3.26Å; H348-S351 WeakPolarHBondContact O-CB 3.31Å; H348-S351 PolarHBondContact O-N 2.72Å; H348-V352 WeakPolarHBondContact NE2-CG2 3.38Å; H348-V352 WeakPolarHBondContact O-CG2 3.34Å; H348-V352 PolarHBondContact O-N 2.87Å
349	R	97	Very high	96.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.7	-39.5	177.3	-174.2	170.1	-70.8	171.8	2.6	113.8	D271 M274 H308 E313 E335 L346 S351 V352 A353	D271-R349 WeakPolarHBondContact OD2-CG 3.49Å; D271-R349 IonicContact OD2-CZ 3.58Å; D271-R349 IonicContact OD2-NE 3.43Å; D271-R349 PolarHBondContact OD2-NE 3.35Å; D271-R349 IonicContact OD2-NH2 2.79Å; D271-R349 PolarHBondContact OD2-NH2 3.35Å; M274-R349 HydrophobicContact CE-CG 3.85Å; H308-R349 WeakPolarHBondContact O-CD 3.32Å; H308-R349 PolarHBondContact O-NH1 3.46Å; E313-R349 IonicContact OE1-CZ 3.08Å; E313-R349 IonicContact OE1-NH1 3.41Å; E313-R349 IonicContact OE1-NH2 3.88Å; E313-R349 PolarHBondContact OE1-NH2 3.47Å; E313-R349 IonicContact OE2-CZ 2.55Å; E313-R349 IonicContact OE2-NH1 3.8Å; E313-R349 PolarHBondContact OE2-NH1 3.08Å; E313-R349 IonicContact OE2-NH2 3.13Å; E313-R349 PolarHBondContact OE2-NH2 3.36Å; E335-R349 PolarHBondContact OE2-N 3.26Å; E335-R349 VanDerWaalsContact OE2-N 3.1Å; L346-R349 HydrophobicContact CB-CB 3.83Å; L346-R349 HydrophobicContact CD1-CB 4.2Å; R349-S351 VanDerWaalsContact C-N 3.28Å; R349-S351 PolarHBondContact O-N 2.93Å; R349-V352 PolarHBondContact O-N 3.46Å; R349-A353 WeakPolarHBondContact O-CB 3.38Å; R349-A353 PolarHBondContact O-N 3.42Å
350	T	98.8	Very high	96.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.2	-40.5	176.2	-60.2	0	0	0	0	110.5	A62 L66 Y307 L346 S347 H348 A353 M354	A62-T350 HydrophobicContact CB-CG2 3.95Å; L66-T350 HydrophobicContact CD1-CG2 4.02Å; L66-T350 HydrophobicContact CD2-CG2 4.18Å; L66-T350 HydrophobicContact CG-CG2 4.12Å; Y307-T350 PolarHBondContact N-OG1 3.1Å; Y307-T350 PolarHBondContact O-OG1 2.8Å; L346-T350 VanDerWaalsContact O-CB 3.27Å; L346-T350 WeakPolarHBondContact O-CB 3.25Å; L346-T350 PolarHBondContact O-N 2.86Å; L346-T350 PolarHBondContact O-OG1 3.45Å; S347-T350 PolarHBondContact O-N 3.37Å; H348-T350 VanDerWaalsContact C-N 3.29Å; H348-T350 PolarHBondContact O-N 3.48Å; T350-A353 PolarHBondContact O-N 3.39Å; T350-M354 HydrophobicContact CG2-SD 4.44Å; T350-M354 WeakPolarHBondContact O-CB 3.47Å; T350-M354 VanDerWaalsContact O-CG 3.28Å; T350-M354 WeakPolarHBondContact O-CG 3.39Å; T350-M354 PolarHBondContact O-N 2.9Å
351	S	98.4	Very high	96.6	Very high	5 Å²	5	19.5 Å²	19.5	4%	0.035	10%	0.1	C	C	.	.	H	α-helix	trans	-65	-44.7	175.8	165.9	0	0	0	0	113.6	D76 G80 S347 H348 R349 A353 M354 T355	D76-S351 WeakPolarHBondContact O-CB 3.26Å; D76-S351 PolarHBondContact O-OG 3.4Å; G80-S351 VanDerWaalsContact CA-OG 3.24Å; G80-S351 WeakPolarHBondContact CA-OG 3.43Å; G80-S351 PolarHBondContact N-OG 3.31Å; S347-S351 PolarHBondContact O-N 2.92Å; S347-S351 VanDerWaalsContact O-N 3.16Å; H348-S351 WeakPolarHBondContact O-CA 3.35Å; H348-S351 VanDerWaalsContact O-CB 3.26Å; H348-S351 WeakPolarHBondContact O-CB 3.31Å; H348-S351 PolarHBondContact O-N 2.72Å; R349-S351 VanDerWaalsContact C-N 3.28Å; R349-S351 PolarHBondContact O-N 2.93Å; S351-A353 VanDerWaalsContact C-N 3.31Å; S351-A353 PolarHBondContact O-N 2.91Å; S351-M354 WeakPolarHBondContact O-CB 3.34Å; S351-M354 PolarHBondContact O-N 3.01Å; S351-M354 VanDerWaalsContact O-N 3.16Å; S351-T355 PolarHBondContact O-N 2.8Å; S351-T355 PolarHBondContact O-OG1 3.45Å
352	V	98	Very high	96.8	Very high	9 Å²	9	16.8 Å²	16.8	6%	0.055	7%	0.071	C	C	.	.	H	α-helix	trans	-60.8	-43.3	176.1	176.9	0	0	0	0	110.6	D271 M274 E275 H348 R349 M354 T355 A356	D271-V352 WeakPolarHBondContact O-CG1 3.44Å; M274-V352 HydrophobicContact CB-CG1 3.66Å; E275-V352 HydrophobicContact CB-CG1 3.69Å; E275-V352 HydrophobicContact CG-CG1 4.45Å; E275-V352 VanDerWaalsContact N-CG1 3.27Å; H348-V352 WeakPolarHBondContact NE2-CG2 3.38Å; H348-V352 WeakPolarHBondContact O-CG2 3.34Å; H348-V352 PolarHBondContact O-N 2.87Å; R349-V352 PolarHBondContact O-N 3.46Å; V352-M354 PolarHBondContact O-N 3.22Å; V352-T355 WeakPolarHBondContact O-CB 3.48Å; V352-T355 PolarHBondContact O-N 3.14Å; V352-A356 PolarHBondContact O-N 2.87Å
353	A	98.8	Very high	97.2	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-63.3	-41.2	174.8	0	0	0	0	0	112.6	M274 Y307 R349 T350 S351 T355 A356 L357	M274-A353 HydrophobicContact CE-CB 4.17Å; M274-A353 HydrophobicContact SD-CB 3.54Å; M274-A353 VanDerWaalsContact SD-CB 3.54Å; Y307-A353 HydrophobicContact CD1-CB 3.64Å; Y307-A353 HydrophobicContact CD2-CB 3.37Å; Y307-A353 HydrophobicContact CE1-CB 3.53Å; Y307-A353 HydrophobicContact CE2-CB 3.3Å; Y307-A353 HydrophobicContact CG-CB 3.56Å; R349-A353 WeakPolarHBondContact O-CB 3.38Å; R349-A353 PolarHBondContact O-N 3.42Å; T350-A353 PolarHBondContact O-N 3.39Å; S351-A353 VanDerWaalsContact C-N 3.31Å; S351-A353 PolarHBondContact O-N 2.91Å; A353-T355 VanDerWaalsContact C-N 3.27Å; A353-T355 PolarHBondContact O-N 3.37Å; A353-A356 WeakPolarHBondContact O-CB 3.34Å; A353-A356 PolarHBondContact O-N 3.34Å; A353-L357 WeakPolarHBondContact O-CB 3.39Å; A353-L357 VanDerWaalsContact O-CG 3.25Å; A353-L357 WeakPolarHBondContact O-CG 3.19Å; A353-L357 PolarHBondContact O-N 3.22Å
354	M	98.8	Very high	97.3	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-62.1	-35.5	174.3	-75.8	-174.2	82.3	0	0	112.1	I59 A62 T63 L66 T81 V84 L114 T350 S351 V352 L357 S358	I59-M354 HydrophobicContact CG2-CE 3.93Å; A62-M354 HydrophobicContact CB-CE 4.38Å; A62-M354 HydrophobicContact CB-CG 3.89Å; A62-M354 HydrophobicContact CB-SD 3.76Å; T63-M354 WeakPolarHBondContact OG1-CE 3.48Å; L66-M354 HydrophobicContact CD1-SD 3.77Å; T81-M354 HydrophobicContact CG2-CE 3.77Å; T81-M354 HydrophobicContact CG2-SD 3.61Å; V84-M354 HydrophobicContact CG2-CB 4.03Å; V84-M354 HydrophobicContact CG2-CE 4.17Å; V84-M354 WeakPolarHBondContact CG2-O 3.49Å; L114-M354 HydrophobicContact CD2-CE 4.05Å; T350-M354 HydrophobicContact CG2-SD 4.44Å; T350-M354 WeakPolarHBondContact O-CB 3.47Å; T350-M354 VanDerWaalsContact O-CG 3.28Å; T350-M354 WeakPolarHBondContact O-CG 3.39Å; T350-M354 PolarHBondContact O-N 2.9Å; S351-M354 WeakPolarHBondContact O-CB 3.34Å; S351-M354 PolarHBondContact O-N 3.01Å; S351-M354 VanDerWaalsContact O-N 3.16Å; V352-M354 PolarHBondContact O-N 3.22Å; M354-L357 PolarHBondContact O-N 2.98Å; M354-S358 WeakPolarHBondContact O-CB 3.43Å; M354-S358 PolarHBondContact O-N 2.99Å
355	T	98.7	Very high	97.3	Very high	5 Å²	5	2.7 Å²	2.7	3%	0.031	1%	0.014	C	C	.	.	H	α-helix	trans	-63.9	-45.9	174	-56.8	0	0	0	0	111.1	I83 F279 L282 S351 V352 A353 S358 A359	I83-T355 HydrophobicContact CD1-CG2 3.93Å; I83-T355 HydrophobicContact CG2-CG2 4.4Å; F279-T355 HydrophobicContact CD1-CG2 4.08Å; F279-T355 HydrophobicContact CE1-CG2 3.99Å; L282-T355 HydrophobicContact CD1-CG2 3.84Å; S351-T355 PolarHBondContact O-N 2.8Å; S351-T355 PolarHBondContact O-OG1 3.45Å; V352-T355 WeakPolarHBondContact O-CB 3.48Å; V352-T355 PolarHBondContact O-N 3.14Å; A353-T355 VanDerWaalsContact C-N 3.27Å; A353-T355 PolarHBondContact O-N 3.37Å; T355-S358 VanDerWaalsContact O-CB 3.31Å; T355-S358 WeakPolarHBondContact O-CB 3.35Å; T355-S358 PolarHBondContact O-N 3.4Å; T355-A359 PolarHBondContact O-N 3.16Å; T355-A359 VanDerWaalsContact O-N 3.15Å
356	A	98.8	Very high	97	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-59.4	-49.5	173.2	0	0	0	0	0	112.1	M274 I297 V352 A353 S358 A359 Y360	M274-A356 HydrophobicContact CB-CB 4.12Å; M274-A356 WeakPolarHBondContact O-CB 3.32Å; I297-A356 HydrophobicContact CD1-CB 4.19Å; V352-A356 PolarHBondContact O-N 2.87Å; A353-A356 WeakPolarHBondContact O-CB 3.34Å; A353-A356 PolarHBondContact O-N 3.34Å; A356-S358 PolarHBondContact O-N 2.9Å; A356-A359 WeakPolarHBondContact O-CB 3.48Å; A356-A359 PolarHBondContact O-N 3.49Å; A356-Y360 VanDerWaalsContact O-CD2 3.24Å; A356-Y360 WeakPolarHBondContact O-CD2 3.48Å; A356-Y360 PolarHBondContact O-N 3.14Å; A356-Y360 VanDerWaalsContact O-N 3.08Å
357	L	98.9	Very high	96.5	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-61.5	-32.8	178.4	-67.3	167.1	0	0	0	111.9	V55 I59 L294 I298 A353 M354 Y360 L361	V55-L357 HydrophobicContact CG1-CB 4.35Å; V55-L357 HydrophobicContact CG1-CD2 4.39Å; V55-L357 WeakPolarHBondContact CG1-O 3.38Å; I59-L357 HydrophobicContact CD1-CB 3.96Å; I59-L357 HydrophobicContact CG1-CB 3.68Å; I59-L357 HydrophobicContact CG1-CD1 4.02Å; I59-L357 HydrophobicContact CG1-CG 4.45Å; L294-L357 HydrophobicContact CD1-CD2 3.91Å; I298-L357 HydrophobicContact CG1-CD2 4.13Å; A353-L357 WeakPolarHBondContact O-CB 3.39Å; A353-L357 VanDerWaalsContact O-CG 3.25Å; A353-L357 WeakPolarHBondContact O-CG 3.19Å; A353-L357 PolarHBondContact O-N 3.22Å; M354-L357 PolarHBondContact O-N 2.98Å; L357-Y360 PolarHBondContact O-N 3.03Å; L357-L361 WeakPolarHBondContact O-CB 3.41Å; L357-L361 PolarHBondContact O-N 3.21Å
358	S	98.4	Very high	95.8	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-63.2	-41.9	173.2	-157.2	0	0	0	0	112	T87 M354 T355 A356 L361 R362	T87-S358 WeakPolarHBondContact CB-OG 3.45Å; T87-S358 VanDerWaalsContact CG2-OG 3.3Å; T87-S358 WeakPolarHBondContact CG2-OG 3.39Å; T87-S358 PolarHBondContact OG1-OG 3.31Å; M354-S358 WeakPolarHBondContact O-CB 3.43Å; M354-S358 PolarHBondContact O-N 2.99Å; T355-S358 VanDerWaalsContact O-CB 3.31Å; T355-S358 WeakPolarHBondContact O-CB 3.35Å; T355-S358 PolarHBondContact O-N 3.4Å; A356-S358 PolarHBondContact O-N 2.9Å; S358-L361 PolarHBondContact O-N 3.06Å; S358-R362 PolarHBondContact O-N 3.49Å
359	A	98	Very high	95.8	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.008	5%	0.05	C	C	.	.	H	α-helix	trans	-62.7	-43.5	174.8	0	0	0	0	0	112.1	L282 T355 A356 R362 Y363	L282-A359 HydrophobicContact CD2-CB 4.49Å; L282-A359 HydrophobicContact CG-CB 4.09Å; T355-A359 PolarHBondContact O-N 3.16Å; T355-A359 VanDerWaalsContact O-N 3.15Å; A356-A359 WeakPolarHBondContact O-CB 3.48Å; A356-A359 PolarHBondContact O-N 3.49Å; A359-R362 PolarHBondContact O-N 2.99Å; A359-Y363 WeakPolarHBondContact O-CB 3.23Å; A359-Y363 PolarHBondContact O-N 2.81Å
360	Y	97.6	Very high	95.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.2	-42.6	174.2	-78.6	-76.1	0	0	0	112.4	V277 C289 K290 W293 L294 I297 A356 L357 R362 Y363 L364	V277-Y360 HydrophobicContact CG1-CD2 4.42Å; V277-Y360 HydrophobicContact CG1-CE2 3.55Å; C289-Y360 VanDerWaalsContact CA-CE1 3.42Å; C289-Y360 HydrophobicContact CB-CD1 3.78Å; C289-Y360 HydrophobicContact CB-CE1 3.58Å; C289-Y360 WeakPolarHBondContact O-CE1 3.27Å; K290-Y360 WeakPolarHBondContact O-CE1 3.49Å; K290-Y360 PolarHBondContact O-OH 2.86Å; W293-Y360 WeakPolarHBondContact CB-OH 3.45Å; L294-Y360 HydrophobicContact CB-CD1 3.91Å; L294-Y360 HydrophobicContact CB-CD2 4.42Å; L294-Y360 HydrophobicContact CB-CE1 3.55Å; L294-Y360 HydrophobicContact CB-CE2 4.12Å; L294-Y360 HydrophobicContact CB-CG 4.34Å; L294-Y360 HydrophobicContact CD1-CD1 4.18Å; L294-Y360 HydrophobicContact CD1-CD2 3.69Å; L294-Y360 HydrophobicContact CD1-CE1 4.49Å; L294-Y360 HydrophobicContact CD1-CE2 4.06Å; L294-Y360 HydrophobicContact CD1-CG 3.77Å; L294-Y360 HydrophobicContact CD2-CD1 3.88Å; L294-Y360 HydrophobicContact CD2-CE1 4.36Å; L294-Y360 HydrophobicContact CD2-CG 4.16Å; L294-Y360 HydrophobicContact CG-CD1 4.21Å; L294-Y360 HydrophobicContact CG-CE1 4.34Å; L294-Y360 HydrophobicContact CG-CG 4.31Å; L294-Y360 PolarHBondContact N-OH 3.3Å; I297-Y360 HydrophobicContact CD1-CE2 3.91Å; A356-Y360 VanDerWaalsContact O-CD2 3.24Å; A356-Y360 WeakPolarHBondContact O-CD2 3.48Å; A356-Y360 PolarHBondContact O-N 3.14Å; A356-Y360 VanDerWaalsContact O-N 3.08Å; L357-Y360 PolarHBondContact O-N 3.03Å; Y360-R362 VanDerWaalsContact C-N 3.3Å; Y360-R362 PolarHBondContact O-N 2.96Å; Y360-Y363 WeakPolarHBondContact O-CB 3.38Å; Y360-Y363 PolarHBondContact O-N 3.29Å; Y360-L364 WeakPolarHBondContact O-CB 3.47Å; Y360-L364 VanDerWaalsContact O-CG 3.26Å; Y360-L364 WeakPolarHBondContact O-CG 3.38Å; Y360-L364 PolarHBondContact O-N 3.24Å
361	L	97.4	Very high	95.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.3	-42.7	177.8	-172.4	61.9	0	0	0	111	T52 V55 M56 I59 I88 L91 M107 L357 S358 I365	T52-L361 HydrophobicContact CG2-CD1 4.43Å; V55-L361 HydrophobicContact CG1-CB 3.93Å; V55-L361 HydrophobicContact CG1-CD1 4.19Å; M56-L361 HydrophobicContact CG-CD1 3.95Å; I59-L361 HydrophobicContact CD1-CB 4.46Å; I59-L361 HydrophobicContact CD1-CD2 4.02Å; I88-L361 HydrophobicContact CD1-CD2 4.34Å; I88-L361 HydrophobicContact CG1-CD2 3.89Å; L91-L361 HydrophobicContact CD1-CD2 4.24Å; L91-L361 HydrophobicContact CD1-CG 3.95Å; M107-L361 HydrophobicContact CE-CD1 3.55Å; M107-L361 HydrophobicContact CE-CD2 3.87Å; M107-L361 HydrophobicContact CE-CG 3.78Å; L357-L361 WeakPolarHBondContact O-CB 3.41Å; L357-L361 PolarHBondContact O-N 3.21Å; S358-L361 PolarHBondContact O-N 3.06Å; L361-I365 HydrophobicContact CD1-CG1 4.42Å; L361-I365 WeakPolarHBondContact O-CG1 3.14Å; L361-I365 PolarHBondContact O-N 3.34Å
362	R	95.5	Very high	95.4	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.015	6%	0.057	C	C	.	.	H	α-helix	trans	-58	-54.9	172.5	177.1	-176.3	167.1	-172.7	-3.6	110.4	T87 L91 F148 Y149 L282 S358 A359 Y360 L364 I365 E366	T87-R362 HydrophobicContact CG2-CB 4.21Å; L91-R362 HydrophobicContact CD2-CG 4.43Å; F148-R362 HydrophobicContact CD2-CG 4.35Å; F148-R362 HydrophobicContact CE2-CG 3.89Å; F148-R362 HydrophobicContact CZ-CB 4.48Å; F148-R362 HydrophobicContact CZ-CG 3.98Å; Y149-R362 PolarHBondContact O-NH1 3.15Å; Y149-R362 PolarHBondContact O-NH2 3.43Å; L282-R362 PolarHBondContact O-NH1 3.09Å; S358-R362 PolarHBondContact O-N 3.49Å; A359-R362 PolarHBondContact O-N 2.99Å; Y360-R362 VanDerWaalsContact C-N 3.3Å; Y360-R362 PolarHBondContact O-N 2.96Å; R362-L364 PolarHBondContact O-N 3.44Å; R362-I365 PolarHBondContact O-N 2.95Å; R362-E366 HydrophobicContact CG-CG 4.04Å; R362-E366 IonicContact CZ-OE1 3.89Å; R362-E366 IonicContact CZ-OE2 2.84Å; R362-E366 IonicContact NE-OE1 2.8Å; R362-E366 PolarHBondContact NE-OE1 2.87Å; R362-E366 IonicContact NE-OE2 2.65Å; R362-E366 PolarHBondContact NE-OE2 2.81Å; R362-E366 IonicContact NH2-OE1 3.89Å; R362-E366 IonicContact NH2-OE2 2.67Å; R362-E366 PolarHBondContact NH2-OE2 3.25Å; R362-E366 VanDerWaalsContact NH2-OE2 3.08Å; R362-E366 WeakPolarHBondContact O-CG 3.37Å; R362-E366 PolarHBondContact O-N 3.36Å
363	Y	93.3	Very high	95.3	Very high	11 Å²	11	12.4 Å²	12.4	4%	0.043	6%	0.057	C	C	.	.	H	α-helix	trans	-51.7	-52.5	179.7	165.3	-107.9	0	0	0	112.2	V40 W286 C289 I291 A359 Y360 I365 E366 F367	V40-Y363 HydrophobicContact CG1-CE1 4.37Å; V40-Y363 HydrophobicContact CG1-CE2 4.41Å; V40-Y363 WeakPolarHBondContact CG1-OH 3.32Å; W286-Y363 HydrophobicContact CB-CD2 3.69Å; W286-Y363 HydrophobicContact CB-CE2 4.22Å; W286-Y363 AromaticContact CE3-CE2 3.97Å; W286-Y363 HydrophobicContact CE3-CE2 3.97Å; C289-Y363 HydrophobicContact CB-CD1 4.33Å; C289-Y363 HydrophobicContact CB-CG 4.2Å; I291-Y363 HydrophobicContact CD1-CE1 4.23Å; A359-Y363 WeakPolarHBondContact O-CB 3.23Å; A359-Y363 PolarHBondContact O-N 2.81Å; Y360-Y363 WeakPolarHBondContact O-CB 3.38Å; Y360-Y363 PolarHBondContact O-N 3.29Å; Y363-I365 VanDerWaalsContact C-N 3.28Å; Y363-I365 PolarHBondContact O-N 3.17Å; Y363-E366 PolarHBondContact O-N 2.81Å; Y363-F367 AromaticContact CD2-CD2 3.47Å; Y363-F367 HydrophobicContact CD2-CD2 3.47Å; Y363-F367 VanDerWaalsContact CD2-CD2 3.47Å; Y363-F367 AromaticContact CD2-CE2 3.86Å; Y363-F367 HydrophobicContact CD2-CE2 3.86Å; Y363-F367 HydrophobicContact CD2-CG 4.23Å; Y363-F367 HydrophobicContact CE2-CB 4.24Å; Y363-F367 AromaticContact CE2-CD2 3.65Å; Y363-F367 HydrophobicContact CE2-CD2 3.65Å; Y363-F367 HydrophobicContact CE2-CE2 4.13Å; Y363-F367 AromaticContact CE2-CG 3.96Å; Y363-F367 HydrophobicContact CE2-CG 3.96Å; Y363-F367 WeakPolarHBondContact O-CD2 3.14Å; Y363-F367 PolarHBondContact O-N 3.08Å; Y363-F367 VanDerWaalsContact O-N 3.13Å
364	L	94.2	Very high	95.1	Very high	3 Å²	3	13.3 Å²	13.3	2%	0.016	6%	0.061	C	C	.	.	H	α-helix	trans	-59.2	-39.7	-177.9	-68.8	164.9	0	0	0	112	L43 W48 V51 V55 Y360 R362 H368	L43-L364 HydrophobicContact CD1-CD2 3.62Å; W48-L364 PolarHBondContact NE1-O 3.28Å; V51-L364 HydrophobicContact CB-CD2 4.46Å; V51-L364 HydrophobicContact CG1-CD1 3.91Å; V51-L364 HydrophobicContact CG1-CD2 3.89Å; V55-L364 HydrophobicContact CB-CD1 4.39Å; V55-L364 HydrophobicContact CG2-CD1 3.78Å; Y360-L364 WeakPolarHBondContact O-CB 3.47Å; Y360-L364 VanDerWaalsContact O-CG 3.26Å; Y360-L364 WeakPolarHBondContact O-CG 3.38Å; Y360-L364 PolarHBondContact O-N 3.24Å; R362-L364 PolarHBondContact O-N 3.44Å; L364-H368 PolarHBondContact O-N 2.92Å; L364-H368 VanDerWaalsContact O-N 3.11Å
365	I	94.2	Very high	94.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-80.1	-36.4	-176.9	-61.9	-68	0	0	0	112.5	W48 T52 L91 Y95 M99 I103 M107 L361 R362 Y363 F367	W48-I365 HydrophobicContact CH2-CD1 4.19Å; W48-I365 HydrophobicContact CZ2-CD1 3.67Å; T52-I365 HydrophobicContact CG2-CD1 4.45Å; L91-I365 HydrophobicContact CB-CG2 4.5Å; L91-I365 HydrophobicContact CD1-CB 4.44Å; L91-I365 HydrophobicContact CD1-CG1 4.28Å; L91-I365 HydrophobicContact CD2-CB 3.92Å; L91-I365 HydrophobicContact CD2-CG2 3.81Å; Y95-I365 HydrophobicContact CG-CG2 4.17Å; M99-I365 HydrophobicContact CE-CG2 4.37Å; M99-I365 HydrophobicContact CG-CD1 3.7Å; M99-I365 HydrophobicContact CG-CG2 3.73Å; M99-I365 HydrophobicContact SD-CD1 3.7Å; M99-I365 HydrophobicContact SD-CG1 4.28Å; M99-I365 HydrophobicContact SD-CG2 3.77Å; I103-I365 HydrophobicContact CG2-CD1 4.1Å; M107-I365 HydrophobicContact CE-CD1 3.72Å; M107-I365 HydrophobicContact CE-CG1 3.7Å; L361-I365 HydrophobicContact CD1-CG1 4.42Å; L361-I365 WeakPolarHBondContact O-CG1 3.14Å; L361-I365 PolarHBondContact O-N 3.34Å; R362-I365 PolarHBondContact O-N 2.95Å; Y363-I365 VanDerWaalsContact C-N 3.28Å; Y363-I365 PolarHBondContact O-N 3.17Å; I365-F367 VanDerWaalsContact C-N 3.31Å
366	E	90.8	Very high	94.5	Very high	16 Å²	16	14.9 Å²	14.9	8%	0.075	7%	0.067	C	C	.	.	H	α-helix	trans	-66.1	-37.6	178.3	-65.7	-160.1	139.6	0	0	111.4	Y95 K98 F148 R362 Y363	Y95-E366 HydrophobicContact CD2-CG 4.3Å; Y95-E366 HydrophobicContact CE1-CB 4.35Å; Y95-E366 HydrophobicContact CE1-CG 4.12Å; Y95-E366 HydrophobicContact CE2-CG 3.6Å; Y95-E366 VanDerWaalsContact CE2-OE1 3.26Å; Y95-E366 WeakPolarHBondContact CE2-OE1 3Å; Y95-E366 VanDerWaalsContact CZ-CG 3.48Å; Y95-E366 VanDerWaalsContact CZ-OE1 3.28Å; Y95-E366 WeakPolarHBondContact OH-CG 3.02Å; Y95-E366 PolarHBondContact OH-OE1 3.08Å; K98-E366 PolarHBondContact NZ-O 3.14Å; F148-E366 VanDerWaalsContact CD2-OE1 3.29Å; F148-E366 WeakPolarHBondContact CD2-OE1 3.43Å; R362-E366 HydrophobicContact CG-CG 4.04Å; R362-E366 IonicContact CZ-OE1 3.89Å; R362-E366 IonicContact CZ-OE2 2.84Å; R362-E366 IonicContact NE-OE1 2.8Å; R362-E366 PolarHBondContact NE-OE1 2.87Å; R362-E366 IonicContact NE-OE2 2.65Å; R362-E366 PolarHBondContact NE-OE2 2.81Å; R362-E366 IonicContact NH2-OE1 3.89Å; R362-E366 IonicContact NH2-OE2 2.67Å; R362-E366 PolarHBondContact NH2-OE2 3.25Å; R362-E366 VanDerWaalsContact NH2-OE2 3.08Å; R362-E366 WeakPolarHBondContact O-CG 3.37Å; R362-E366 PolarHBondContact O-N 3.36Å; Y363-E366 PolarHBondContact O-N 2.81Å
367	F	87.8	Confident	94.1	Very high	65 Å²	65	16.2 Å²	16.2	29%	0.285	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	11.9	-176.6	-67.6	-89.9	0	0	0	114.7	I151 W286 Y363 I365	I151-F367 HydrophobicContact CD1-CE2 4.09Å; I151-F367 HydrophobicContact CD1-CZ 3.93Å; I151-F367 HydrophobicContact CG2-CZ 4.36Å; W286-F367 HydrophobicContact CB-CE2 4.08Å; W286-F367 HydrophobicContact CB-CZ 4.48Å; W286-F367 AromaticContact CD1-CZ 3.93Å; W286-F367 HydrophobicContact CD2-CE2 4.48Å; W286-F367 HydrophobicContact CD2-CZ 4.09Å; W286-F367 AromaticContact CG-CE2 4Å; W286-F367 HydrophobicContact CG-CE2 4Å; W286-F367 AromaticContact CG-CZ 3.9Å; W286-F367 HydrophobicContact CG-CZ 3.9Å; Y363-F367 AromaticContact CD2-CD2 3.47Å; Y363-F367 HydrophobicContact CD2-CD2 3.47Å; Y363-F367 VanDerWaalsContact CD2-CD2 3.47Å; Y363-F367 AromaticContact CD2-CE2 3.86Å; Y363-F367 HydrophobicContact CD2-CE2 3.86Å; Y363-F367 HydrophobicContact CD2-CG 4.23Å; Y363-F367 HydrophobicContact CE2-CB 4.24Å; Y363-F367 AromaticContact CE2-CD2 3.65Å; Y363-F367 HydrophobicContact CE2-CD2 3.65Å; Y363-F367 HydrophobicContact CE2-CE2 4.13Å; Y363-F367 AromaticContact CE2-CG 3.96Å; Y363-F367 HydrophobicContact CE2-CG 3.96Å; Y363-F367 WeakPolarHBondContact O-CD2 3.14Å; Y363-F367 PolarHBondContact O-N 3.08Å; Y363-F367 VanDerWaalsContact O-N 3.13Å; I365-F367 VanDerWaalsContact C-N 3.31Å
368	H	83.4	Confident	93.7	Very high	94 Å²	94	17.6 Å²	17.6	44%	0.435	8%	0.08	S	C	.	.			trans	-66.2	0	168.2	-172.4	51.2	0	0	0	112.2	W48 K98 L364	W48-H368 AromaticContact CD1-ND1 3.53Å; W48-H368 AromaticContact CD2-CE1 3.51Å; W48-H368 AromaticContact CD2-CG 3.89Å; W48-H368 AromaticContact CD2-ND1 3.12Å; W48-H368 AromaticContact CE2-CE1 3.85Å; W48-H368 AromaticContact CE2-CG 3.41Å; W48-H368 VanDerWaalsContact CE2-CG 3.41Å; W48-H368 AromaticContact CE2-ND1 3.14Å; W48-H368 AromaticContact CE3-CE1 3.5Å; W48-H368 AromaticContact CE3-ND1 3.64Å; W48-H368 AromaticContact CG-ND1 3.41Å; W48-H368 HydrophobicContact CZ2-CB 3.79Å; W48-H368 AromaticContact CZ2-CG 3.54Å; W48-H368 AromaticContact CZ2-ND1 3.68Å; W48-H368 AromaticContact CZ3-CE1 3.87Å; W48-H368 AromaticContact NE1-CG 3.62Å; W48-H368 AromaticContact NE1-ND1 3.37Å; W48-H368 PolarHBondContact NE1-ND1 3.02Å; K98-H368 PolarHBondContact O-CD2 3.16Å; L364-H368 PolarHBondContact O-N 2.92Å; L364-H368 VanDerWaalsContact O-N 3.11Å

Retrieved 368 of 368 residues in 128.9 ms (Link to these results)

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