A0A077ZFR1_TRITR Loading...

Bromodomain domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFR1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 504 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	23.1	Very low	23.8	Very low	237 Å²	237	165.4 Å²	165.4	100%	1.167	84%	0.836	S	S	*	*				0	105.7	0	-80	172.1	174.2	0	0	108.2
2	N	22	Very low	24.1	Very low	167 Å²	167	156.7 Å²	156.7	89%	0.893	80%	0.801	S	S	*	*			trans	-176.2	73.6	159.2	-97.2	-17.5	0	0	0	107	G4	N2-G4 PolarHBondContact O-N 3.46Å; N2-G4 VanDerWaalsContact O-N 3.12Å
3	F	22.9	Very low	24.2	Very low	225 Å²	225	152 Å²	152	99%	0.987	79%	0.785	S	S	*	*			trans	-81.5	75.6	164.1	-83.3	-80	0	0	0	107.9
4	G	21.8	Very low	24.5	Very low	61 Å²	61	147.5 Å²	147.5	63%	0.629	77%	0.768	S	S	*	*			trans	-85.8	110.8	159.3	0	0	0	0	0	107.3	N2	N2-G4 PolarHBondContact O-N 3.46Å; N2-G4 VanDerWaalsContact O-N 3.12Å
5	I	22.9	Very low	24.7	Very low	162 Å²	162	141.7 Å²	141.7	83%	0.831	74%	0.744	S	S	*	*			trans	174.6	96.5	148.7	-79.2	140.9	0	0	0	106.3
6	T	25.4	Very low	25.1	Very low	139 Å²	139	139.3 Å²	139.3	85%	0.853	73%	0.727	S	S	*	*	S	Bend	trans	-154	-2.8	148.5	38.5	0	0	0	0	113.6
7	G	24.8	Very low	25.5	Very low	61 Å²	61	139.1 Å²	139.1	63%	0.629	72%	0.719	S	S	*	*	S	Bend	trans	-83.2	-8.3	179.2	0	0	0	0	0	117.2
8	R	25.4	Very low	25.9	Very low	235 Å²	235	135.7 Å²	135.7	89%	0.887	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-16.2	-175.1	-78.2	-166.9	-165	-170.1	5.6	115.9
9	R	24.3	Very low	26.4	Very low	221 Å²	221	133.3 Å²	133.3	83%	0.834	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-19.5	-178.6	-88.6	-174.3	175.1	179.5	-1.4	115
10	L	24.4	Very low	26.9	Very low	146 Å²	146	135.8 Å²	135.8	76%	0.764	69%	0.688	S	S	*	*	H	α-helix	trans	-84	-29.5	179.6	-125.9	82.4	0	0	0	113.5	S12 T14	L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 2.79Å; L10-T14 PolarHBondContact O-OG1 3.18Å
11	K	24.9	Very low	27.3	Very low	165 Å²	165	135.5 Å²	135.5	72%	0.717	68%	0.682	S	S	*	*	H	α-helix	trans	-68.8	-25.8	179.2	-79	-169.6	173.2	-170.3	0	113.9
12	S	27.4	Very low	28.1	Very low	61 Å²	61	125.9 Å²	125.9	43%	0.427	64%	0.635	S	S	.	*	H	α-helix	trans	-78.3	-34.6	-176.5	67.4	0	0	0	0	113.1	L10 E16	L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 2.79Å; S12-E16 WeakPolarHBondContact O-CB 3.14Å; S12-E16 PolarHBondContact O-N 3.41Å
13	V	25.8	Very low	29	Very low	96 Å²	96	121.5 Å²	121.5	58%	0.582	62%	0.618	S	S	*	*	H	α-helix	trans	-76.3	-38.2	-172.9	-176.4	0	0	0	0	111.9	F17	V13-F17 WeakPolarHBondContact O-CB 3.5Å; V13-F17 PolarHBondContact O-N 3.45Å; V13-F17 VanDerWaalsContact O-N 3.12Å
14	T	27.2	Very low	29.9	Very low	89 Å²	89	115.3 Å²	115.3	55%	0.546	60%	0.602	S	S	.	*	H	α-helix	trans	-72.2	-37.3	177.1	41.8	0	0	0	0	112.6	L10 L18	L10-T14 PolarHBondContact O-OG1 3.18Å; T14-L18 WeakPolarHBondContact O-CB 3.33Å; T14-L18 PolarHBondContact O-N 3.3Å; T14-L18 VanDerWaalsContact O-N 3.17Å
15	C	28.7	Very low	30.8	Very low	61 Å²	61	114.2 Å²	114.2	41%	0.412	58%	0.583	S	S	.	*	H	α-helix	trans	-68.3	-46.2	174.8	-79.2	0	0	0	0	111.7	F17 L18 E19	C15-F17 PolarHBondContact O-N 3.5Å; C15-L18 PolarHBondContact O-N 3.02Å; C15-E19 VanDerWaalsContact O-CB 3.24Å; C15-E19 WeakPolarHBondContact O-CB 3.09Å; C15-E19 VanDerWaalsContact O-CG 3.3Å; C15-E19 WeakPolarHBondContact O-CG 3.33Å; C15-E19 PolarHBondContact O-N 3.13Å
16	E	30.4	Very low	31.7	Very low	103 Å²	103	108.2 Å²	108.2	48%	0.481	55%	0.551	S	S	.	*	H	α-helix	trans	-64.4	-37.9	178.9	-82.5	-172.8	169	0	0	113	S12 R20	S12-E16 WeakPolarHBondContact O-CB 3.14Å; S12-E16 PolarHBondContact O-N 3.41Å; E16-R20 WeakPolarHBondContact O-CB 3.29Å; E16-R20 VanDerWaalsContact O-CG 3.31Å; E16-R20 WeakPolarHBondContact O-CG 3.46Å; E16-R20 PolarHBondContact O-N 2.67Å
17	F	32.9	Very low	32.7	Very low	135 Å²	135	108.8 Å²	108.8	59%	0.592	54%	0.544	S	S	*	.	H	α-helix	trans	-66.4	-44.7	178.4	-179	-97.1	0	0	0	111.7	V13 C15 K21	V13-F17 WeakPolarHBondContact O-CB 3.5Å; V13-F17 PolarHBondContact O-N 3.45Å; V13-F17 VanDerWaalsContact O-N 3.12Å; C15-F17 PolarHBondContact O-N 3.5Å; F17-K21 HydrophobicContact CE1-CD 4.44Å; F17-K21 HydrophobicContact CZ-CD 4.47Å; F17-K21 PolarHBondContact O-N 2.81Å
18	L	31.7	Very low	34	Very low	79 Å²	79	109.2 Å²	109.2	41%	0.414	54%	0.537	S	S	.	.	H	α-helix	trans	-65.9	-44.7	174.5	-80.1	163.3	0	0	0	111.1	T14 C15 R20 K21 I22	T14-L18 WeakPolarHBondContact O-CB 3.33Å; T14-L18 PolarHBondContact O-N 3.3Å; T14-L18 VanDerWaalsContact O-N 3.17Å; C15-L18 PolarHBondContact O-N 3.02Å; L18-R20 PolarHBondContact O-N 3.19Å; L18-K21 PolarHBondContact O-N 3.25Å; L18-I22 HydrophobicContact CB-CD1 4.39Å; L18-I22 VanDerWaalsContact O-CB 3.22Å; L18-I22 WeakPolarHBondContact O-CB 3.31Å; L18-I22 WeakPolarHBondContact O-CD1 3.4Å; L18-I22 WeakPolarHBondContact O-CG1 3.49Å; L18-I22 PolarHBondContact O-N 3.17Å
19	E	34.6	Very low	35.1	Very low	90 Å²	90	100.1 Å²	100.1	42%	0.421	51%	0.51	S	S	.	.	H	α-helix	trans	-61.2	-39.1	177	-80.9	-179.6	175.7	0	0	112.8	C15 S23	C15-E19 VanDerWaalsContact O-CB 3.24Å; C15-E19 WeakPolarHBondContact O-CB 3.09Å; C15-E19 VanDerWaalsContact O-CG 3.3Å; C15-E19 WeakPolarHBondContact O-CG 3.33Å; C15-E19 PolarHBondContact O-N 3.13Å; E19-S23 WeakPolarHBondContact O-CA 3.33Å; E19-S23 WeakPolarHBondContact O-CB 3.09Å; E19-S23 PolarHBondContact O-N 2.86Å; E19-S23 PolarHBondContact O-OG 3.04Å
20	R	36.5	Very low	36.5	Very low	182 Å²	182	95.3 Å²	95.3	69%	0.687	50%	0.501	S	S	*	.	H	α-helix	trans	-67.1	-43.1	176.8	-78.9	-178.6	-172	178.4	6.8	111.9	E16 L18 S24	E16-R20 WeakPolarHBondContact O-CB 3.29Å; E16-R20 VanDerWaalsContact O-CG 3.31Å; E16-R20 WeakPolarHBondContact O-CG 3.46Å; E16-R20 PolarHBondContact O-N 2.67Å; L18-R20 PolarHBondContact O-N 3.19Å; R20-S24 PolarHBondContact O-N 3.05Å; R20-S24 PolarHBondContact O-OG 2.93Å
21	K	35.9	Very low	37.6	Very low	130 Å²	130	93.4 Å²	93.4	57%	0.565	49%	0.491	S	S	*	.	H	α-helix	trans	-71.7	-37	-179	-138.6	178.3	-176.5	-170.2	0	111.5	F17 L18 S24 T25	F17-K21 HydrophobicContact CE1-CD 4.44Å; F17-K21 HydrophobicContact CZ-CD 4.47Å; F17-K21 PolarHBondContact O-N 2.81Å; L18-K21 PolarHBondContact O-N 3.25Å; K21-S24 PolarHBondContact O-OG 2.76Å; K21-T25 PolarHBondContact O-OG1 2.99Å
22	I	40.3	Very low	38.7	Very low	35 Å²	35	95.9 Å²	95.9	18%	0.179	50%	0.496	C	S	.	.	H	α-helix	trans	-66.6	-53.7	170.8	-68.5	169.6	0	0	0	109	L18 S24 T25 F26 V71	L18-I22 HydrophobicContact CB-CD1 4.39Å; L18-I22 VanDerWaalsContact O-CB 3.22Å; L18-I22 WeakPolarHBondContact O-CB 3.31Å; L18-I22 WeakPolarHBondContact O-CD1 3.4Å; L18-I22 WeakPolarHBondContact O-CG1 3.49Å; L18-I22 PolarHBondContact O-N 3.17Å; I22-S24 PolarHBondContact O-N 2.81Å; I22-S24 VanDerWaalsContact O-N 3.1Å; I22-T25 PolarHBondContact O-N 3.18Å; I22-F26 HydrophobicContact CB-CD2 4.21Å; I22-F26 HydrophobicContact CB-CE2 4.37Å; I22-F26 HydrophobicContact CG2-CD2 3.44Å; I22-F26 VanDerWaalsContact CG2-CD2 3.44Å; I22-F26 HydrophobicContact CG2-CE2 3.6Å; I22-F26 HydrophobicContact CG2-CG 4.1Å; I22-F26 HydrophobicContact CG2-CZ 4.4Å; I22-F26 WeakPolarHBondContact O-CB 3.34Å; I22-F26 WeakPolarHBondContact O-CD2 3.26Å; I22-F26 PolarHBondContact O-N 3.37Å; I22-V71 HydrophobicContact CD1-CG2 4.26Å
23	S	40.6	Very low	39.6	Very low	76 Å²	76	95 Å²	95	53%	0.531	49%	0.49	S	S	.	.	H	α-helix	trans	-59.8	-29.3	-177.7	-61.3	0	0	0	0	114.2	E19 T25	E19-S23 WeakPolarHBondContact O-CA 3.33Å; E19-S23 WeakPolarHBondContact O-CB 3.09Å; E19-S23 PolarHBondContact O-N 2.86Å; E19-S23 PolarHBondContact O-OG 3.04Å; S23-T25 VanDerWaalsContact C-N 3.31Å
24	S	42.7	Very low	40.6	Very low	95 Å²	95	100.3 Å²	100.3	66%	0.664	51%	0.509	S	S	*	.	H	α-helix	trans	-71.7	-24.4	174.9	56	0	0	0	0	114	R20 K21 I22	R20-S24 PolarHBondContact O-N 3.05Å; R20-S24 PolarHBondContact O-OG 2.93Å; K21-S24 PolarHBondContact O-OG 2.76Å; I22-S24 PolarHBondContact O-N 2.81Å; I22-S24 VanDerWaalsContact O-N 3.1Å
25	T	39.9	Very low	41.7	Very low	38 Å²	38	101.1 Å²	101.1	23%	0.233	51%	0.514	C	S	.	.	H	α-helix	trans	-99.6	-18.4	-176.1	-53.1	0	0	0	0	112.2	K21 I22 S23 L44 T48	K21-T25 PolarHBondContact O-OG1 2.99Å; I22-T25 PolarHBondContact O-N 3.18Å; S23-T25 VanDerWaalsContact C-N 3.31Å; T25-L44 HydrophobicContact CG2-CD1 3.84Å; T25-T48 HydrophobicContact CG2-CG2 3.82Å
26	F	42.6	Very low	42.5	Very low	35 Å²	35	100.4 Å²	100.4	15%	0.154	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.3	-172.6	-83.8	-93.4	0	0	0	112.6	I22 Y42 W43 L44 F68	I22-F26 HydrophobicContact CB-CD2 4.21Å; I22-F26 HydrophobicContact CB-CE2 4.37Å; I22-F26 HydrophobicContact CG2-CD2 3.44Å; I22-F26 VanDerWaalsContact CG2-CD2 3.44Å; I22-F26 HydrophobicContact CG2-CE2 3.6Å; I22-F26 HydrophobicContact CG2-CG 4.1Å; I22-F26 HydrophobicContact CG2-CZ 4.4Å; I22-F26 WeakPolarHBondContact O-CB 3.34Å; I22-F26 WeakPolarHBondContact O-CD2 3.26Å; I22-F26 PolarHBondContact O-N 3.37Å; F26-Y42 HydrophobicContact CB-CD1 4.09Å; F26-Y42 HydrophobicContact CD1-CD1 4.05Å; F26-Y42 HydrophobicContact CD1-CG 4.37Å; F26-Y42 HydrophobicContact CG-CD1 4.33Å; F26-W43 WeakPolarHBondContact CD1-O 3.49Å; F26-L44 HydrophobicContact CD2-CD1 4.23Å; F26-L44 HydrophobicContact CE1-CB 3.87Å; F26-L44 HydrophobicContact CE1-CD1 4.39Å; F26-L44 HydrophobicContact CE2-CD1 3.62Å; F26-L44 HydrophobicContact CZ-CB 3.88Å; F26-L44 HydrophobicContact CZ-CD1 3.74Å; F26-L44 HydrophobicContact CZ-CG 4.3Å; F26-F68 HydrophobicContact CD1-CZ 4.46Å; F26-F68 HydrophobicContact CE1-CD1 4.48Å; F26-F68 AromaticContact CE1-CE1 3.31Å; F26-F68 HydrophobicContact CE1-CE1 3.31Å; F26-F68 HydrophobicContact CE1-CE2 4.31Å; F26-F68 AromaticContact CE1-CZ 3.24Å; F26-F68 HydrophobicContact CE1-CZ 3.24Å; F26-F68 HydrophobicContact CZ-CD1 4.44Å; F26-F68 AromaticContact CZ-CE1 3.59Å; F26-F68 HydrophobicContact CZ-CE1 3.59Å; F26-F68 HydrophobicContact CZ-CE2 4.26Å; F26-F68 AromaticContact CZ-CZ 3.52Å; F26-F68 HydrophobicContact CZ-CZ 3.52Å
27	Q	46.3	Very low	43.6	Very low	152 Å²	152	101.6 Å²	101.6	71%	0.71	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	139	163.7	-67	-176.9	-3.1	0	0	109.2	W43	Q27-W43 PolarHBondContact O-N 2.96Å; Q27-W43 VanDerWaalsContact O-N 3.13Å
28	S	51.3	Low	44.9	Very low	69 Å²	69	97 Å²	97	48%	0.483	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	137.4	176.9	71.4	0	0	0	0	113	V41	S28-V41 WeakPolarHBondContact CA-O 3.25Å; S28-V41 WeakPolarHBondContact CB-O 3.4Å
29	S	48.4	Very low	46	Very low	44 Å²	44	93.7 Å²	93.7	31%	0.308	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	148.7	163.9	64.2	0	0	0	0	110.3	V41	S29-V41 PolarHBondContact N-O 2.84Å; S29-V41 PolarHBondContact O-N 2.93Å; S29-V41 VanDerWaalsContact O-N 3.14Å
30	N	54.4	Low	47.1	Very low	120 Å²	120	92.3 Å²	92.3	64%	0.642	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	112.1	166.6	-80.8	-11.3	0	0	0	107	K40	N30-K40 WeakPolarHBondContact OD1-CG 3.28Å
31	D	48.1	Very low	48.1	Very low	106 Å²	106	84.1 Å²	84.1	57%	0.567	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	135.5	168.5	-85	-41.2	0	0	0	109.8	T39	D31-T39 PolarHBondContact N-O 3.16Å; D31-T39 PolarHBondContact O-N 3.44Å; D31-T39 VanDerWaalsContact O-N 3.09Å
32	R	47.2	Very low	49.1	Very low	217 Å²	217	79.2 Å²	79.2	82%	0.819	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	112	166.4	-80.2	-174.9	174.3	-177.3	-2.4	107.1
33	S	47	Very low	49.4	Very low	43 Å²	43	80.3 Å²	80.3	30%	0.301	43%	0.429	S	S	.	.			trans	-60.8	158	169.9	65.7	0	0	0	0	110.7	T35 G36 R37	S33-T35 PolarHBondContact O-N 2.92Å; S33-T35 PolarHBondContact OG-OG1 3.47Å; S33-G36 PolarHBondContact O-N 3.01Å; S33-R37 PolarHBondContact N-O 3.19Å; S33-R37 PolarHBondContact OG-O 2.77Å
34	E	46.7	Very low	49.9	Very low	208 Å²	208	77.5 Å²	77.5	97%	0.972	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-21.1	173	-69.8	-176.7	161.5	0	0	112.8	G36	E34-G36 VanDerWaalsContact C-N 3.29Å; E34-G36 PolarHBondContact O-N 2.82Å
35	T	49.6	Very low	50.2	Low	106 Å²	106	75.2 Å²	75.2	65%	0.65	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	1.8	177	70.9	0	0	0	0	114.4	S33 R37	S33-T35 PolarHBondContact O-N 2.92Å; S33-T35 PolarHBondContact OG-OG1 3.47Å; T35-R37 PolarHBondContact O-N 3.3Å
36	G	46.3	Very low	50.6	Low	45 Å²	45	74.6 Å²	74.6	46%	0.464	38%	0.383	S	S	.	.	S	Bend	trans	81.2	-9.6	177.5	0	0	0	0	0	115.2	S33 E34	S33-G36 PolarHBondContact O-N 3.01Å; E34-G36 VanDerWaalsContact C-N 3.29Å; E34-G36 PolarHBondContact O-N 2.82Å
37	R	53.5	Low	50.8	Low	128 Å²	128	80.7 Å²	80.7	48%	0.483	41%	0.41	S	S	.	.			trans	-73.2	137.3	177.8	-69.1	-176.9	-170.7	160.3	4	111.5	S33 T35 T39	S33-R37 PolarHBondContact N-O 3.19Å; S33-R37 PolarHBondContact OG-O 2.77Å; T35-R37 PolarHBondContact O-N 3.3Å; R37-T39 PolarHBondContact O-N 2.71Å
38	A	58.3	Low	50.6	Low	39 Å²	39	76 Å²	76	32%	0.322	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	114.9	171.9	0	0	0	0	0	109.8	L100	A38-L100 WeakPolarHBondContact O-CB 3.29Å; A38-L100 PolarHBondContact O-N 2.92Å
39	T	55.8	Low	50.1	Low	10 Å²	10	73.4 Å²	73.4	6%	0.061	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.3	174.3	-61.1	0	0	0	0	108.5	D31 R37 V41 Q97 L98 D99	D31-T39 PolarHBondContact N-O 3.16Å; D31-T39 PolarHBondContact O-N 3.44Å; D31-T39 VanDerWaalsContact O-N 3.09Å; R37-T39 PolarHBondContact O-N 2.71Å; T39-V41 HydrophobicContact CG2-CG2 4.23Å; T39-Q97 HydrophobicContact CG2-CG 3.3Å; T39-L98 WeakPolarHBondContact CA-O 3.31Å; T39-D99 WeakPolarHBondContact CG2-OD1 3.47Å; T39-D99 PolarHBondContact OG1-OD1 2.9Å
40	K	57.2	Low	49.4	Very low	60 Å²	60	75.6 Å²	75.6	26%	0.261	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.9	174.6	-162.7	169.5	-175.1	-168.1	0	109.4	N30 Y42 L98	N30-K40 WeakPolarHBondContact OD1-CG 3.28Å; K40-Y42 HydrophobicContact CB-CE2 4.19Å; K40-Y42 HydrophobicContact CD-CE2 3.82Å; K40-Y42 WeakPolarHBondContact CD-OH 3.41Å; K40-Y42 VanDerWaalsContact CE-OH 3.29Å; K40-Y42 WeakPolarHBondContact CE-OH 3.38Å; K40-Y42 HydrophobicContact CG-CD2 4.38Å; K40-Y42 HydrophobicContact CG-CE2 3.68Å; K40-Y42 PolarHBondContact NZ-OH 2.74Å; K40-L98 PolarHBondContact N-O 2.83Å; K40-L98 PolarHBondContact O-N 2.7Å
41	V	57.2	Low	48.4	Very low	11 Å²	11	77.1 Å²	77.1	7%	0.067	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	135.9	-178.1	-177.9	0	0	0	0	109.3	S28 S29 T39 W43 E95 Q97	S28-V41 WeakPolarHBondContact CA-O 3.25Å; S28-V41 WeakPolarHBondContact CB-O 3.4Å; S29-V41 PolarHBondContact N-O 2.84Å; S29-V41 PolarHBondContact O-N 2.93Å; S29-V41 VanDerWaalsContact O-N 3.14Å; T39-V41 HydrophobicContact CG2-CG2 4.23Å; V41-W43 HydrophobicContact CG1-CD2 4.32Å; V41-W43 HydrophobicContact CG1-CH2 4.23Å; V41-W43 HydrophobicContact CG1-CZ2 3.61Å; V41-E95 HydrophobicContact CG1-CG 3.57Å; V41-E95 WeakPolarHBondContact CG1-OE1 3.35Å; V41-Q97 HydrophobicContact CG2-CG 4.34Å
42	Y	56.7	Low	47.8	Very low	26 Å²	26	77.2 Å²	77.2	10%	0.102	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.9	179.3	-73.7	-91.8	0	0	0	110.3	F26 K40 W75 L96 L98	F26-Y42 HydrophobicContact CB-CD1 4.09Å; F26-Y42 HydrophobicContact CD1-CD1 4.05Å; F26-Y42 HydrophobicContact CD1-CG 4.37Å; F26-Y42 HydrophobicContact CG-CD1 4.33Å; K40-Y42 HydrophobicContact CB-CE2 4.19Å; K40-Y42 HydrophobicContact CD-CE2 3.82Å; K40-Y42 WeakPolarHBondContact CD-OH 3.41Å; K40-Y42 VanDerWaalsContact CE-OH 3.29Å; K40-Y42 WeakPolarHBondContact CE-OH 3.38Å; K40-Y42 HydrophobicContact CG-CD2 4.38Å; K40-Y42 HydrophobicContact CG-CE2 3.68Å; K40-Y42 PolarHBondContact NZ-OH 2.74Å; Y42-W75 HydrophobicContact CD2-CZ3 4.23Å; Y42-W75 HydrophobicContact CE1-CH2 4.14Å; Y42-W75 HydrophobicContact CE2-CH2 4.12Å; Y42-W75 HydrophobicContact CE2-CZ3 4.04Å; Y42-W75 AromaticContact CZ-CH2 3.87Å; Y42-L96 PolarHBondContact N-O 2.93Å; Y42-L96 PolarHBondContact O-N 3.32Å; Y42-L98 HydrophobicContact CD2-CD1 4Å; Y42-L98 HydrophobicContact CD2-CG 4.39Å; Y42-L98 HydrophobicContact CE2-CD1 3.58Å; Y42-L98 HydrophobicContact CE2-CG 4.38Å
43	W	48.5	Very low	46.9	Very low	58 Å²	58	69.5 Å²	69.5	22%	0.22	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.5	178.2	-54	99.8	0	0	0	111.1	F26 Q27 V41 L89 F93 E95	F26-W43 WeakPolarHBondContact CD1-O 3.49Å; Q27-W43 PolarHBondContact O-N 2.96Å; Q27-W43 VanDerWaalsContact O-N 3.13Å; V41-W43 HydrophobicContact CG1-CD2 4.32Å; V41-W43 HydrophobicContact CG1-CH2 4.23Å; V41-W43 HydrophobicContact CG1-CZ2 3.61Å; W43-L89 HydrophobicContact CE3-CD1 3.73Å; W43-L89 HydrophobicContact CE3-CG 4.43Å; W43-L89 HydrophobicContact CH2-CD1 3.38Å; W43-L89 HydrophobicContact CH2-CD2 4.29Å; W43-L89 HydrophobicContact CH2-CG 4Å; W43-L89 HydrophobicContact CZ2-CD1 4.44Å; W43-L89 HydrophobicContact CZ3-CD1 2.96Å; W43-L89 HydrophobicContact CZ3-CD2 4.23Å; W43-L89 HydrophobicContact CZ3-CG 3.47Å; W43-L89 VanDerWaalsContact CZ3-CG 3.47Å; W43-F93 HydrophobicContact CB-CD1 4.21Å; W43-F93 HydrophobicContact CE3-CB 4.18Å; W43-E95 HydrophobicContact CE3-CB 3.97Å; W43-E95 HydrophobicContact CE3-CG 3.95Å; W43-E95 HydrophobicContact CH2-CB 4.08Å; W43-E95 HydrophobicContact CH2-CG 3.53Å; W43-E95 WeakPolarHBondContact CH2-OE1 3.21Å; W43-E95 VanDerWaalsContact CH2-OE2 3.26Å; W43-E95 WeakPolarHBondContact CH2-OE2 3.09Å; W43-E95 HydrophobicContact CZ2-CG 4.18Å; W43-E95 HydrophobicContact CZ3-CB 3.43Å; W43-E95 VanDerWaalsContact CZ3-CB 3.43Å; W43-E95 VanDerWaalsContact CZ3-CD 3.48Å; W43-E95 HydrophobicContact CZ3-CG 3.36Å
44	L	49.4	Very low	46.2	Very low	18 Å²	18	74.8 Å²	74.8	9%	0.094	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	120	168.4	-174.2	73.7	0	0	0	110	T25 F26 M46 A64 F68 F93 V94	T25-L44 HydrophobicContact CG2-CD1 3.84Å; F26-L44 HydrophobicContact CD2-CD1 4.23Å; F26-L44 HydrophobicContact CE1-CB 3.87Å; F26-L44 HydrophobicContact CE1-CD1 4.39Å; F26-L44 HydrophobicContact CE2-CD1 3.62Å; F26-L44 HydrophobicContact CZ-CB 3.88Å; F26-L44 HydrophobicContact CZ-CD1 3.74Å; F26-L44 HydrophobicContact CZ-CG 4.3Å; L44-M46 PolarHBondContact O-N 3.06Å; L44-A64 HydrophobicContact CD2-CB 4.28Å; L44-F68 HydrophobicContact CB-CE2 3.42Å; L44-F68 VanDerWaalsContact CB-CE2 3.42Å; L44-F68 HydrophobicContact CB-CZ 3.48Å; L44-F68 VanDerWaalsContact CB-CZ 3.48Å; L44-F68 HydrophobicContact CD2-CD2 4.46Å; L44-F68 HydrophobicContact CD2-CE2 3.78Å; L44-F68 HydrophobicContact CG-CE2 4.23Å; L44-F93 WeakPolarHBondContact O-CD1 3.48Å; L44-V94 PolarHBondContact N-O 2.83Å
45	D	49.2	Very low	45.3	Very low	47 Å²	47	69.4 Å²	69.4	25%	0.251	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	114.9	167.9	176.8	13.8	0	0	0	109.8	K47 T48 S49 F93	D45-K47 PolarHBondContact O-N 3.22Å; D45-K47 WeakPolarHBondContact OD1-CB 3.38Å; D45-K47 PolarHBondContact OD1-N 3.07Å; D45-T48 PolarHBondContact O-N 3.45Å; D45-T48 PolarHBondContact OD2-OG1 3.5Å; D45-S49 PolarHBondContact O-N 2.81Å; D45-F93 HydrophobicContact CB-CD1 4.33Å; D45-F93 HydrophobicContact CB-CE1 3.68Å; D45-F93 HydrophobicContact CB-CZ 4.32Å
46	M	49	Very low	44.2	Very low	25 Å²	25	73 Å²	73	12%	0.123	38%	0.377	C	S	.	.	H	α-helix	trans	-62.1	-23.8	178.2	-70.9	-161.4	-73.1	0	0	112.9	L44 S49 E60 K61 G92	L44-M46 PolarHBondContact O-N 3.06Å; M46-S49 WeakPolarHBondContact O-CB 3.49Å; M46-S49 PolarHBondContact O-N 3.22Å; M46-E60 HydrophobicContact SD-CB 4.48Å; M46-K61 HydrophobicContact CE-CG 4.11Å; M46-K61 HydrophobicContact SD-CG 3.91Å; M46-G92 WeakPolarHBondContact CE-O 3.39Å; M46-G92 WeakPolarHBondContact CG-O 2.98Å
47	K	47	Very low	43.6	Very low	163 Å²	163	78.2 Å²	78.2	71%	0.709	39%	0.39	S	S	*	.	H	α-helix	trans	-68.9	-40	172.6	-72.9	-179.1	178.4	174.3	0	112	D45 S49 M50	D45-K47 PolarHBondContact O-N 3.22Å; D45-K47 WeakPolarHBondContact OD1-CB 3.38Å; D45-K47 PolarHBondContact OD1-N 3.07Å; K47-S49 VanDerWaalsContact C-N 3.26Å; K47-S49 PolarHBondContact O-N 2.97Å; K47-M50 VanDerWaalsContact O-CB 3.29Å; K47-M50 WeakPolarHBondContact O-CB 3.13Å; K47-M50 PolarHBondContact O-N 3.4Å; K47-M50 VanDerWaalsContact O-N 3.07Å
48	T	42.6	Very low	42.7	Very low	53 Å²	53	83.7 Å²	83.7	33%	0.325	41%	0.41	S	S	.	.	H	α-helix	trans	-70.4	-26.4	177.9	-48.8	0	0	0	0	111.4	T25 D45 M50 D51	T25-T48 HydrophobicContact CG2-CG2 3.82Å; D45-T48 PolarHBondContact O-N 3.45Å; D45-T48 PolarHBondContact OD2-OG1 3.5Å; T48-M50 PolarHBondContact O-N 2.85Å; T48-D51 PolarHBondContact O-N 3.09Å
49	S	39.3	Very low	41.9	Very low	14 Å²	14	91.6 Å²	91.6	10%	0.098	43%	0.432	C	S	.	.	H	α-helix	trans	-61.3	-25.1	168.6	168.5	0	0	0	0	113.3	D45 M46 K47 D51 I52	D45-S49 PolarHBondContact O-N 2.81Å; M46-S49 WeakPolarHBondContact O-CB 3.49Å; M46-S49 PolarHBondContact O-N 3.22Å; K47-S49 VanDerWaalsContact C-N 3.26Å; K47-S49 PolarHBondContact O-N 2.97Å; S49-D51 VanDerWaalsContact C-N 3.31Å; S49-D51 PolarHBondContact O-N 3.46Å; S49-I52 WeakPolarHBondContact O-CB 3.19Å; S49-I52 PolarHBondContact O-N 3.01Å; S49-I52 VanDerWaalsContact O-N 3.1Å
50	M	33.5	Very low	41.2	Very low	91 Å²	91	92.3 Å²	92.3	45%	0.448	43%	0.434	S	S	.	.	H	α-helix	trans	-67.2	-31.8	178.1	-64	-179.5	70.5	0	0	112.2	K47 T48 I52 G53	K47-M50 VanDerWaalsContact O-CB 3.29Å; K47-M50 WeakPolarHBondContact O-CB 3.13Å; K47-M50 PolarHBondContact O-N 3.4Å; K47-M50 VanDerWaalsContact O-N 3.07Å; T48-M50 PolarHBondContact O-N 2.85Å; M50-I52 PolarHBondContact O-N 2.88Å; M50-G53 PolarHBondContact O-N 3.38Å
51	D	34.8	Very low	40.7	Very low	151 Å²	151	94.6 Å²	94.6	81%	0.807	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-17	173.9	-81.1	-15.5	0	0	0	112.3	T48 S49 G53	T48-D51 PolarHBondContact O-N 3.09Å; S49-D51 VanDerWaalsContact C-N 3.31Å; S49-D51 PolarHBondContact O-N 3.46Å; D51-G53 VanDerWaalsContact C-N 3.26Å
52	I	35.3	Very low	40.3	Very low	109 Å²	109	99.2 Å²	99.2	56%	0.559	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	2	173.8	-54.6	179.7	0	0	0	111.6	S49 M50	S49-I52 WeakPolarHBondContact O-CB 3.19Å; S49-I52 PolarHBondContact O-N 3.01Å; S49-I52 VanDerWaalsContact O-N 3.1Å; M50-I52 PolarHBondContact O-N 2.88Å
53	G	27.8	Very low	39.9	Very low	54 Å²	54	102.1 Å²	102.1	56%	0.557	48%	0.481	S	S	*	.	S	Bend	trans	105.8	35.4	156.4	0	0	0	0	0	116.7	M50 D51	M50-G53 PolarHBondContact O-N 3.38Å; D51-G53 VanDerWaalsContact C-N 3.26Å
54	Y	33.4	Very low	39.8	Very low	155 Å²	155	99.4 Å²	99.4	61%	0.608	47%	0.471	S	S	*	.			trans	-135.5	117.4	173.3	-77.6	-82.4	0	0	0	112.9
55	S	26	Very low	39.9	Very low	94 Å²	94	102.5 Å²	102.5	66%	0.657	48%	0.484	S	S	*	.			trans	-94.1	114.8	164.1	176.5	0	0	0	0	107.1
56	Y	28.2	Very low	40.1	Very low	181 Å²	181	104 Å²	104	71%	0.71	49%	0.49	S	S	*	.			trans	167.9	111.1	145.9	-99.9	-75.6	0	0	0	109.9	R58 R59 E60	Y56-R58 PolarHBondContact O-N 3.26Å; Y56-R59 PolarHBondContact O-N 3.36Å; Y56-E60 PolarHBondContact O-N 2.86Å
57	H	31.9	Very low	40	Very low	155 Å²	155	105.4 Å²	105.4	72%	0.718	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-25.9	-166.9	-134.2	34	0	0	0	117.4	E60	H57-E60 VanDerWaalsContact CA-CD 3.48Å; H57-E60 WeakPolarHBondContact CA-OE1 3.34Å; H57-E60 IonicContact CE1-OE2 3.71Å; H57-E60 IonicContact CG-OE2 3.33Å; H57-E60 PolarHBondContact N-OE1 3.31Å; H57-E60 IonicContact ND1-OE1 2.72Å; H57-E60 IonicContact ND1-OE2 3.92Å; H57-E60 PolarHBondContact ND1-OE2 2.98Å
58	R	36.3	Very low	40.2	Very low	244 Å²	244	97.8 Å²	97.8	92%	0.921	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-22.9	179.9	-137.6	-179.5	-154.7	-175.8	5.3	113.4	Y56	Y56-R58 PolarHBondContact O-N 3.26Å
59	R	41.5	Very low	40.9	Very low	204 Å²	204	98.6 Å²	98.6	77%	0.77	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-19.8	178.7	-68.6	-175.2	-172.6	177.6	1.9	112.8	Y56 K61 L62 F63	Y56-R59 PolarHBondContact O-N 3.36Å; R59-K61 PolarHBondContact O-N 2.82Å; R59-L62 PolarHBondContact O-N 3.23Å; R59-F63 WeakPolarHBondContact O-CB 3.21Å; R59-F63 PolarHBondContact O-N 2.93Å; R59-F63 VanDerWaalsContact O-N 3.11Å
60	E	41	Very low	41.4	Very low	25 Å²	25	105.3 Å²	105.3	12%	0.117	50%	0.497	C	S	.	.	H	α-helix	trans	-53.6	-45.2	177.2	-73.5	164	-158.2	0	0	113	M46 Y56 H57 A64	M46-E60 HydrophobicContact SD-CB 4.48Å; Y56-E60 PolarHBondContact O-N 2.86Å; H57-E60 VanDerWaalsContact CA-CD 3.48Å; H57-E60 WeakPolarHBondContact CA-OE1 3.34Å; H57-E60 IonicContact CE1-OE2 3.71Å; H57-E60 IonicContact CG-OE2 3.33Å; H57-E60 PolarHBondContact N-OE1 3.31Å; H57-E60 IonicContact ND1-OE1 2.72Å; H57-E60 IonicContact ND1-OE2 3.92Å; H57-E60 PolarHBondContact ND1-OE2 2.98Å; E60-A64 WeakPolarHBondContact O-CB 3.39Å; E60-A64 PolarHBondContact O-N 3.13Å; E60-A64 VanDerWaalsContact O-N 3.1Å
61	K	45.9	Very low	42.1	Very low	109 Å²	109	101.9 Å²	101.9	47%	0.474	48%	0.482	S	S	.	.	H	α-helix	trans	-71.4	-40.1	-176.8	-66.5	-173.1	177.8	-168	0	113.7	M46 R59 K65	M46-K61 HydrophobicContact CE-CG 4.11Å; M46-K61 HydrophobicContact SD-CG 3.91Å; R59-K61 PolarHBondContact O-N 2.82Å; K61-K65 PolarHBondContact O-N 3.33Å; K61-K65 VanDerWaalsContact O-N 3.11Å
62	L	49	Very low	42.9	Very low	108 Å²	108	94.8 Å²	94.8	57%	0.565	45%	0.445	S	S	*	.	H	α-helix	trans	-69.5	-44.6	-179.5	-165.7	73.1	0	0	0	110.2	R59 A64 K65 E66	R59-L62 PolarHBondContact O-N 3.23Å; L62-A64 PolarHBondContact O-N 3.42Å; L62-K65 PolarHBondContact O-N 2.99Å; L62-E66 WeakPolarHBondContact O-CG 3.32Å; L62-E66 PolarHBondContact O-N 3.33Å
63	F	49.3	Very low	43.8	Very low	86 Å²	86	93.7 Å²	93.7	38%	0.377	44%	0.443	S	S	.	.	H	α-helix	trans	-59.9	-43.8	175.8	177.6	-99.4	0	0	0	112.6	R59 E66 T67	R59-F63 WeakPolarHBondContact O-CB 3.21Å; R59-F63 PolarHBondContact O-N 2.93Å; R59-F63 VanDerWaalsContact O-N 3.11Å; F63-E66 PolarHBondContact O-N 2.06Å; F63-T67 WeakPolarHBondContact CZ-OG1 3.4Å; F63-T67 VanDerWaalsContact O-CB 3.32Å; F63-T67 WeakPolarHBondContact O-CB 3.43Å; F63-T67 PolarHBondContact O-N 3.46Å; F63-T67 PolarHBondContact O-OG1 2.73Å
64	A	46.4	Very low	44.7	Very low	1 Å²	1	95.2 Å²	95.2	1%	0.008	44%	0.438	C	S	.	.	H	α-helix	trans	-59.3	-49.4	175.5	0	0	0	0	0	110.5	L44 E60 L62 E66 T67 F68 V94	L44-A64 HydrophobicContact CD2-CB 4.28Å; E60-A64 WeakPolarHBondContact O-CB 3.39Å; E60-A64 PolarHBondContact O-N 3.13Å; E60-A64 VanDerWaalsContact O-N 3.1Å; L62-A64 PolarHBondContact O-N 3.42Å; A64-E66 PolarHBondContact O-N 3.19Å; A64-T67 PolarHBondContact O-N 3.24Å; A64-F68 WeakPolarHBondContact O-CB 3.42Å; A64-F68 WeakPolarHBondContact O-CD2 3.27Å; A64-F68 PolarHBondContact O-N 3.13Å; A64-V94 HydrophobicContact CB-CG2 3.95Å
65	K	50.7	Low	45.6	Very low	83 Å²	83	90.2 Å²	90.2	36%	0.361	42%	0.418	S	S	.	.	H	α-helix	trans	-58.4	-45	177.2	-84.3	179.8	158.4	176	0	113.4	K61 L62 F68 S69 E88	K61-K65 PolarHBondContact O-N 3.33Å; K61-K65 VanDerWaalsContact O-N 3.11Å; L62-K65 PolarHBondContact O-N 2.99Å; K65-F68 PolarHBondContact O-N 3.4Å; K65-S69 VanDerWaalsContact O-CB 3.3Å; K65-S69 WeakPolarHBondContact O-CB 3.45Å; K65-S69 PolarHBondContact O-N 3.34Å; K65-E88 WeakPolarHBondContact CE-OE1 3.44Å; K65-E88 IonicContact NZ-OE1 2.97Å; K65-E88 PolarHBondContact NZ-OE1 2.82Å
66	E	52.4	Low	46.9	Very low	79 Å²	79	90.7 Å²	90.7	37%	0.369	41%	0.41	S	S	.	.	H	α-helix	trans	-65.7	-43.2	178.2	-74.5	173.7	-175.8	0	0	111.9	L62 F63 A64 F68 S69 W70	L62-E66 WeakPolarHBondContact O-CG 3.32Å; L62-E66 PolarHBondContact O-N 3.33Å; F63-E66 PolarHBondContact O-N 2.06Å; A64-E66 PolarHBondContact O-N 3.19Å; E66-F68 VanDerWaalsContact C-N 3.34Å; E66-F68 PolarHBondContact O-N 3.05Å; E66-S69 PolarHBondContact O-N 3.22Å; E66-W70 WeakPolarHBondContact O-CB 3.45Å; E66-W70 PolarHBondContact O-N 3.13Å
67	T	48.7	Very low	48	Very low	54 Å²	54	85.4 Å²	85.4	33%	0.331	41%	0.41	S	S	.	.	H	α-helix	trans	-61.3	-44.9	175.9	-57.6	0	0	0	0	110.6	F63 A64 W70 V71	F63-T67 WeakPolarHBondContact CZ-OG1 3.4Å; F63-T67 VanDerWaalsContact O-CB 3.32Å; F63-T67 WeakPolarHBondContact O-CB 3.43Å; F63-T67 PolarHBondContact O-N 3.46Å; F63-T67 PolarHBondContact O-OG1 2.73Å; A64-T67 PolarHBondContact O-N 3.24Å; T67-W70 PolarHBondContact O-N 3.04Å; T67-V71 WeakPolarHBondContact O-CB 3.32Å; T67-V71 VanDerWaalsContact O-CG2 3.25Å; T67-V71 WeakPolarHBondContact O-CG2 3.37Å; T67-V71 PolarHBondContact O-N 3.05Å
68	F	50.7	Low	49	Very low	4 Å²	4	80.3 Å²	80.3	2%	0.018	39%	0.392	C	S	.	.	H	α-helix	trans	-67	-37.9	175.9	-89.3	-71.2	0	0	0	113.5	F26 L44 A64 K65 E66 W70 V71 G72 T86 V94 L96	F26-F68 HydrophobicContact CD1-CZ 4.46Å; F26-F68 HydrophobicContact CE1-CD1 4.48Å; F26-F68 AromaticContact CE1-CE1 3.31Å; F26-F68 HydrophobicContact CE1-CE1 3.31Å; F26-F68 HydrophobicContact CE1-CE2 4.31Å; F26-F68 AromaticContact CE1-CZ 3.24Å; F26-F68 HydrophobicContact CE1-CZ 3.24Å; F26-F68 HydrophobicContact CZ-CD1 4.44Å; F26-F68 AromaticContact CZ-CE1 3.59Å; F26-F68 HydrophobicContact CZ-CE1 3.59Å; F26-F68 HydrophobicContact CZ-CE2 4.26Å; F26-F68 AromaticContact CZ-CZ 3.52Å; F26-F68 HydrophobicContact CZ-CZ 3.52Å; L44-F68 HydrophobicContact CB-CE2 3.42Å; L44-F68 VanDerWaalsContact CB-CE2 3.42Å; L44-F68 HydrophobicContact CB-CZ 3.48Å; L44-F68 VanDerWaalsContact CB-CZ 3.48Å; L44-F68 HydrophobicContact CD2-CD2 4.46Å; L44-F68 HydrophobicContact CD2-CE2 3.78Å; L44-F68 HydrophobicContact CG-CE2 4.23Å; A64-F68 WeakPolarHBondContact O-CB 3.42Å; A64-F68 WeakPolarHBondContact O-CD2 3.27Å; A64-F68 PolarHBondContact O-N 3.13Å; K65-F68 PolarHBondContact O-N 3.4Å; E66-F68 VanDerWaalsContact C-N 3.34Å; E66-F68 PolarHBondContact O-N 3.05Å; F68-W70 VanDerWaalsContact C-N 3.34Å; F68-V71 PolarHBondContact O-N 3.27Å; F68-G72 WeakPolarHBondContact O-CA 3.35Å; F68-G72 PolarHBondContact O-N 2.89Å; F68-T86 HydrophobicContact CB-CG2 3.99Å; F68-V94 HydrophobicContact CD2-CB 4.13Å; F68-V94 HydrophobicContact CD2-CG1 3.67Å; F68-V94 HydrophobicContact CE2-CB 3.77Å; F68-V94 HydrophobicContact CE2-CG1 3.76Å; F68-V94 HydrophobicContact CG-CG1 4.45Å; F68-V94 WeakPolarHBondContact CZ-O 3.47Å; F68-L96 HydrophobicContact CB-CD1 4.35Å; F68-L96 HydrophobicContact CD1-CB 3.41Å; F68-L96 VanDerWaalsContact CD1-CB 3.41Å; F68-L96 HydrophobicContact CD1-CD1 3.85Å; F68-L96 HydrophobicContact CD1-CD2 3.92Å; F68-L96 HydrophobicContact CD1-CG 3.92Å; F68-L96 HydrophobicContact CE1-CB 3.31Å; F68-L96 HydrophobicContact CE1-CD2 4.18Å; F68-L96 HydrophobicContact CE1-CG 4.22Å; F68-L96 HydrophobicContact CG-CB 4.46Å; F68-L96 HydrophobicContact CZ-CB 4.34Å
69	S	56.1	Low	49.7	Very low	69 Å²	69	78.6 Å²	78.6	48%	0.483	39%	0.392	S	S	.	.	H	α-helix	trans	-60.5	-47	173.6	177.3	0	0	0	0	110.2	K65 E66 G72 T73	K65-S69 VanDerWaalsContact O-CB 3.3Å; K65-S69 WeakPolarHBondContact O-CB 3.45Å; K65-S69 PolarHBondContact O-N 3.34Å; E66-S69 PolarHBondContact O-N 3.22Å; S69-G72 CarbonylContact O-C 3.57Å; S69-G72 WeakPolarHBondContact O-CA 3.45Å; S69-G72 PolarHBondContact O-N 2.94Å; S69-T73 PolarHBondContact O-N 3.36Å; S69-T73 PolarHBondContact O-OG1 3.49Å
70	W	49.9	Very low	50.4	Low	155 Å²	155	72 Å²	72	59%	0.587	37%	0.374	S	S	*	.	H	α-helix	trans	-64.7	-44.3	178.6	-168.1	79	0	0	0	112.9	E66 T67 F68 G72 T73 L74	E66-W70 WeakPolarHBondContact O-CB 3.45Å; E66-W70 PolarHBondContact O-N 3.13Å; T67-W70 PolarHBondContact O-N 3.04Å; F68-W70 VanDerWaalsContact C-N 3.34Å; W70-G72 VanDerWaalsContact C-N 3.29Å; W70-G72 PolarHBondContact O-N 3.17Å; W70-T73 PolarHBondContact O-N 3.18Å; W70-L74 HydrophobicContact CD2-CD1 3.87Å; W70-L74 HydrophobicContact CE3-CD1 3.54Å; W70-L74 HydrophobicContact CH2-CD1 3.44Å; W70-L74 VanDerWaalsContact CH2-CD1 3.44Å; W70-L74 HydrophobicContact CZ2-CD1 3.77Å; W70-L74 HydrophobicContact CZ3-CD1 3.31Å; W70-L74 PolarHBondContact O-N 3.24Å
71	V	48.8	Very low	50.9	Low	19 Å²	19	71.6 Å²	71.6	12%	0.115	37%	0.373	C	S	.	.	H	α-helix	trans	-62	-40	173	171.6	0	0	0	0	110.8	I22 T67 F68 L74 W75	I22-V71 HydrophobicContact CD1-CG2 4.26Å; T67-V71 WeakPolarHBondContact O-CB 3.32Å; T67-V71 VanDerWaalsContact O-CG2 3.25Å; T67-V71 WeakPolarHBondContact O-CG2 3.37Å; T67-V71 PolarHBondContact O-N 3.05Å; F68-V71 PolarHBondContact O-N 3.27Å; V71-L74 WeakPolarHBondContact O-CB 3.42Å; V71-L74 PolarHBondContact O-N 3.41Å; V71-W75 HydrophobicContact CG1-CD2 4.2Å; V71-W75 HydrophobicContact CG1-CE3 3.89Å; V71-W75 HydrophobicContact CG1-CH2 4.32Å; V71-W75 HydrophobicContact CG1-CZ3 3.95Å; V71-W75 PolarHBondContact O-N 3.33Å
72	G	52	Low	51.7	Low	3 Å²	3	69.2 Å²	69.2	3%	0.031	37%	0.37	C	S	.	.	H	α-helix	trans	-60	-49.2	175.3	0	0	0	0	0	112.5	F68 S69 W70 L74 W75 E76	F68-G72 WeakPolarHBondContact O-CA 3.35Å; F68-G72 PolarHBondContact O-N 2.89Å; S69-G72 CarbonylContact O-C 3.57Å; S69-G72 WeakPolarHBondContact O-CA 3.45Å; S69-G72 PolarHBondContact O-N 2.94Å; W70-G72 VanDerWaalsContact C-N 3.29Å; W70-G72 PolarHBondContact O-N 3.17Å; G72-L74 VanDerWaalsContact C-N 3.28Å; G72-L74 PolarHBondContact O-N 2.94Å; G72-W75 CarbonylContact O-C 3.57Å; G72-W75 PolarHBondContact O-N 3.34Å; G72-E76 PolarHBondContact O-N 2.99Å
73	T	53.7	Low	52.4	Low	86 Å²	86	67.2 Å²	67.2	53%	0.528	36%	0.36	S	S	.	.	H	α-helix	trans	-60.9	-37.6	175.9	-46.5	0	0	0	0	111.9	S69 W70 W75 G77	S69-T73 PolarHBondContact O-N 3.36Å; S69-T73 PolarHBondContact O-OG1 3.49Å; W70-T73 PolarHBondContact O-N 3.18Å; T73-W75 VanDerWaalsContact C-N 3.28Å; T73-W75 PolarHBondContact O-N 3.08Å; T73-G77 PolarHBondContact O-N 3.19Å
74	L	47.8	Very low	52.8	Low	86 Å²	86	64.1 Å²	64.1	45%	0.45	35%	0.348	S	S	.	.	H	α-helix	trans	-62.2	-35.3	173.9	-103.1	150.4	0	0	0	112.4	W70 V71 G72	W70-L74 HydrophobicContact CD2-CD1 3.87Å; W70-L74 HydrophobicContact CE3-CD1 3.54Å; W70-L74 HydrophobicContact CH2-CD1 3.44Å; W70-L74 VanDerWaalsContact CH2-CD1 3.44Å; W70-L74 HydrophobicContact CZ2-CD1 3.77Å; W70-L74 HydrophobicContact CZ3-CD1 3.31Å; W70-L74 PolarHBondContact O-N 3.24Å; V71-L74 WeakPolarHBondContact O-CB 3.42Å; V71-L74 PolarHBondContact O-N 3.41Å; G72-L74 VanDerWaalsContact C-N 3.28Å; G72-L74 PolarHBondContact O-N 2.94Å
75	W	51.9	Low	53.5	Low	49 Å²	49	67.4 Å²	67.4	19%	0.186	37%	0.366	C	S	.	.	H	α-helix	trans	-88.4	-30.8	-179.6	-81.3	-15.9	0	0	0	114.8	Y42 V71 G72 T73 G77 S78 V81 L96 L98	Y42-W75 HydrophobicContact CD2-CZ3 4.23Å; Y42-W75 HydrophobicContact CE1-CH2 4.14Å; Y42-W75 HydrophobicContact CE2-CH2 4.12Å; Y42-W75 HydrophobicContact CE2-CZ3 4.04Å; Y42-W75 AromaticContact CZ-CH2 3.87Å; V71-W75 HydrophobicContact CG1-CD2 4.2Å; V71-W75 HydrophobicContact CG1-CE3 3.89Å; V71-W75 HydrophobicContact CG1-CH2 4.32Å; V71-W75 HydrophobicContact CG1-CZ3 3.95Å; V71-W75 PolarHBondContact O-N 3.33Å; G72-W75 CarbonylContact O-C 3.57Å; G72-W75 PolarHBondContact O-N 3.34Å; T73-W75 VanDerWaalsContact C-N 3.28Å; T73-W75 PolarHBondContact O-N 3.08Å; W75-G77 PolarHBondContact O-N 3Å; W75-S78 WeakPolarHBondContact O-CA 3.38Å; W75-S78 WeakPolarHBondContact O-CB 3.48Å; W75-S78 PolarHBondContact O-N 3.46Å; W75-V81 HydrophobicContact CB-CG2 4.33Å; W75-V81 WeakPolarHBondContact O-CB 3.46Å; W75-L96 HydrophobicContact CE3-CD2 3.96Å; W75-L96 HydrophobicContact CZ3-CD2 3.7Å; W75-L98 HydrophobicContact CD2-CD1 4.12Å; W75-L98 HydrophobicContact CE3-CD1 3.28Å; W75-L98 HydrophobicContact CE3-CD2 3.93Å; W75-L98 HydrophobicContact CE3-CG 4.18Å; W75-L98 HydrophobicContact CH2-CD1 4.34Å; W75-L98 HydrophobicContact CZ3-CD1 3.43Å; W75-L98 VanDerWaalsContact CZ3-CD1 3.43Å; W75-L98 HydrophobicContact CZ3-CG 4.4Å
76	E	52.8	Low	53.7	Low	104 Å²	104	67 Å²	67	49%	0.486	37%	0.37	S	S	.	.	H	α-helix	trans	-57.5	-32.1	167	-78.4	-173.8	157.6	0	0	111.6	G72 S78 V84	G72-E76 PolarHBondContact O-N 2.99Å; E76-S78 PolarHBondContact O-N 3.24Å; E76-V84 HydrophobicContact CG-CB 4.14Å; E76-V84 HydrophobicContact CG-CG2 3.52Å
77	G	51.2	Low	53.9	Low	70 Å²	70	64.6 Å²	64.6	72%	0.722	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-12.1	171.8	0	0	0	0	0	114.5	T73 W75	T73-G77 PolarHBondContact O-N 3.19Å; W75-G77 PolarHBondContact O-N 3Å
78	S	52.8	Low	54.4	Low	49 Å²	49	67.2 Å²	67.2	34%	0.343	38%	0.375	S	S	.	.	S	Bend	trans	-88	134.5	177.5	-170.8	0	0	0	0	111.3	W75 E76 T80 V81	W75-S78 WeakPolarHBondContact O-CA 3.38Å; W75-S78 WeakPolarHBondContact O-CB 3.48Å; W75-S78 PolarHBondContact O-N 3.46Å; E76-S78 PolarHBondContact O-N 3.24Å; S78-T80 PolarHBondContact O-N 2.93Å; S78-T80 PolarHBondContact OG-OG1 2.95Å; S78-V81 PolarHBondContact O-N 3.39Å
79	K	52	Low	54.6	Low	208 Å²	208	70.5 Å²	70.5	90%	0.904	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-12.8	-176.5	-67.7	-171.7	176.5	-172.3	0	115.2
80	T	55.1	Low	54.6	Low	65 Å²	65	72.8 Å²	72.8	40%	0.399	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-13.6	-175.8	52	0	0	0	0	113.8	S78 L100 S101	S78-T80 PolarHBondContact O-N 2.93Å; S78-T80 PolarHBondContact OG-OG1 2.95Å; T80-L100 WeakPolarHBondContact O-CA 3.37Å; T80-S101 PolarHBondContact O-N 3.31Å
81	V	52	Low	54.9	Low	16 Å²	16	71.5 Å²	71.5	10%	0.097	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.5	-175.8	-176.5	0	0	0	0	108.2	W75 S78 V84 L98 L100	W75-V81 HydrophobicContact CB-CG2 4.33Å; W75-V81 WeakPolarHBondContact O-CB 3.46Å; S78-V81 PolarHBondContact O-N 3.39Å; V81-V84 HydrophobicContact CG1-CG2 3.62Å; V81-L98 HydrophobicContact CG1-CB 4.44Å; V81-L98 HydrophobicContact CG1-CD2 4.2Å; V81-L100 HydrophobicContact CG2-CD2 4.11Å
82	S	62.2	Low	55.1	Low	60 Å²	60	71.9 Å²	71.9	42%	0.42	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-31.1	-178.7	63.6	0	0	0	0	112.7	D99 S101	S82-D99 PolarHBondContact N-O 3.05Å; S82-D99 PolarHBondContact OG-O 3.48Å; S82-S101 WeakPolarHBondContact CB-OG 3.4Å
83	N	63.7	Low	55.2	Low	65 Å²	65	75 Å²	75	35%	0.348	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	149.8	-179.3	-160.8	18.8	0	0	0	111.1	D99	N83-D99 HydrophobicContact CB-CB 4.24Å; N83-D99 PolarHBondContact O-N 3.24Å
84	V	57.2	Low	55.3	Low	22 Å²	22	71.1 Å²	71.1	13%	0.133	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	117.5	177.8	-178.2	0	0	0	0	109.8	E76 V81 L96 L98	E76-V84 HydrophobicContact CG-CB 4.14Å; E76-V84 HydrophobicContact CG-CG2 3.52Å; V81-V84 HydrophobicContact CG1-CG2 3.62Å; V84-L96 HydrophobicContact CG1-CD1 3.47Å; V84-L96 VanDerWaalsContact CG1-CD1 3.47Å; V84-L96 HydrophobicContact CG1-CG 4.2Å; V84-L98 HydrophobicContact CB-CD2 4.12Å; V84-L98 HydrophobicContact CG1-CD2 3.78Å; V84-L98 HydrophobicContact CG2-CD2 3.53Å
85	N	61.4	Low	55.7	Low	70 Å²	70	68.9 Å²	68.9	37%	0.374	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	141.5	175.1	-64.3	-39.8	0	0	0	110.4	L96 Q97	N85-L96 CarbonylContact O-C 3.59Å; N85-L96 WeakPolarHBondContact O-CA 3.35Å; N85-Q97 HydrophobicContact CB-CB 4.34Å; N85-Q97 PolarHBondContact N-O 3.26Å; N85-Q97 PolarHBondContact O-N 2.9Å
86	T	55.9	Low	56	Low	74 Å²	74	66.6 Å²	66.6	45%	0.454	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132.5	170.9	50.6	0	0	0	0	109.9	F68 E95 L96	F68-T86 HydrophobicContact CB-CG2 3.99Å; T86-E95 CarbonylContact C-O 3.6Å; T86-E95 VanDerWaalsContact CA-O 3.31Å; T86-E95 WeakPolarHBondContact CA-O 3.27Å; T86-L96 HydrophobicContact CG2-CD1 3.44Å; T86-L96 VanDerWaalsContact CG2-CD1 3.44Å
87	G	56.1	Low	56.2	Low	28 Å²	28	64.7 Å²	64.7	29%	0.289	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	151.3	-178	0	0	0	0	0	112.2	E95	G87-E95 PolarHBondContact N-O 3.47Å; G87-E95 PolarHBondContact O-N 2.99Å
88	E	59.9	Low	56.6	Low	109 Å²	109	61.7 Å²	61.7	51%	0.509	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.9	172.1	-68.5	-172.5	178.7	0	0	110.2	K65	K65-E88 WeakPolarHBondContact CE-OE1 3.44Å; K65-E88 IonicContact NZ-OE1 2.97Å; K65-E88 PolarHBondContact NZ-OE1 2.82Å
89	L	55.1	Low	57	Low	73 Å²	73	60.5 Å²	60.5	38%	0.382	34%	0.337	S	S	.	.			trans	-97.9	151	166.3	-71.4	-172.2	0	0	0	111.9	W43 D91 F93	W43-L89 HydrophobicContact CE3-CD1 3.73Å; W43-L89 HydrophobicContact CE3-CG 4.43Å; W43-L89 HydrophobicContact CH2-CD1 3.38Å; W43-L89 HydrophobicContact CH2-CD2 4.29Å; W43-L89 HydrophobicContact CH2-CG 4Å; W43-L89 HydrophobicContact CZ2-CD1 4.44Å; W43-L89 HydrophobicContact CZ3-CD1 2.96Å; W43-L89 HydrophobicContact CZ3-CD2 4.23Å; W43-L89 HydrophobicContact CZ3-CG 3.47Å; W43-L89 VanDerWaalsContact CZ3-CG 3.47Å; L89-D91 PolarHBondContact O-N 3.4Å; L89-D91 VanDerWaalsContact O-N 3.1Å; L89-F93 HydrophobicContact CB-CB 4.47Å; L89-F93 HydrophobicContact CD1-CB 4.4Å; L89-F93 PolarHBondContact N-O 3.06Å; L89-F93 VanDerWaalsContact N-O 3.1Å
90	S	55	Low	57.4	Low	118 Å²	118	53 Å²	53	83%	0.825	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.7	176.3	54.1	0	0	0	0	114.1	G92	S90-G92 PolarHBondContact O-N 3.08Å
91	D	56.4	Low	57.7	Low	127 Å²	127	52.1 Å²	52.1	68%	0.679	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	17	-165.9	-64.8	3.6	0	0	0	113.4	L89 F93	L89-D91 PolarHBondContact O-N 3.4Å; L89-D91 VanDerWaalsContact O-N 3.1Å; D91-F93 HydrophobicContact CB-CD2 4.41Å
92	G	52.4	Low	57.6	Low	28 Å²	28	56.1 Å²	56.1	29%	0.289	32%	0.324	S	S	.	.	S	Bend	trans	84.7	18.2	176	0	0	0	0	0	114.8	M46 S90	M46-G92 WeakPolarHBondContact CE-O 3.39Å; M46-G92 WeakPolarHBondContact CG-O 2.98Å; S90-G92 PolarHBondContact O-N 3.08Å
93	F	54	Low	56.6	Low	68 Å²	68	58.8 Å²	58.8	30%	0.298	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	145.8	172.3	-68.5	-94.7	0	0	0	110.6	W43 L44 D45 L89 D91	W43-F93 HydrophobicContact CB-CD1 4.21Å; W43-F93 HydrophobicContact CE3-CB 4.18Å; L44-F93 WeakPolarHBondContact O-CD1 3.48Å; D45-F93 HydrophobicContact CB-CD1 4.33Å; D45-F93 HydrophobicContact CB-CE1 3.68Å; D45-F93 HydrophobicContact CB-CZ 4.32Å; L89-F93 HydrophobicContact CB-CB 4.47Å; L89-F93 HydrophobicContact CD1-CB 4.4Å; L89-F93 PolarHBondContact N-O 3.06Å; L89-F93 VanDerWaalsContact N-O 3.1Å; D91-F93 HydrophobicContact CB-CD2 4.41Å
94	V	55.7	Low	55.2	Low	4 Å²	4	61.5 Å²	61.5	2%	0.024	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.5	166.3	-179.4	0	0	0	0	107.7	L44 A64 F68	L44-V94 PolarHBondContact N-O 2.83Å; A64-V94 HydrophobicContact CB-CG2 3.95Å; F68-V94 HydrophobicContact CD2-CB 4.13Å; F68-V94 HydrophobicContact CD2-CG1 3.67Å; F68-V94 HydrophobicContact CE2-CB 3.77Å; F68-V94 HydrophobicContact CE2-CG1 3.76Å; F68-V94 HydrophobicContact CG-CG1 4.45Å; F68-V94 WeakPolarHBondContact CZ-O 3.47Å
95	E	56	Low	53.8	Low	40 Å²	40	66.4 Å²	66.4	19%	0.187	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	135.7	-178.1	-164.5	173.7	177.3	0	0	110.6	V41 W43 T86 G87	V41-E95 HydrophobicContact CG1-CG 3.57Å; V41-E95 WeakPolarHBondContact CG1-OE1 3.35Å; W43-E95 HydrophobicContact CE3-CB 3.97Å; W43-E95 HydrophobicContact CE3-CG 3.95Å; W43-E95 HydrophobicContact CH2-CB 4.08Å; W43-E95 HydrophobicContact CH2-CG 3.53Å; W43-E95 WeakPolarHBondContact CH2-OE1 3.21Å; W43-E95 VanDerWaalsContact CH2-OE2 3.26Å; W43-E95 WeakPolarHBondContact CH2-OE2 3.09Å; W43-E95 HydrophobicContact CZ2-CG 4.18Å; W43-E95 HydrophobicContact CZ3-CB 3.43Å; W43-E95 VanDerWaalsContact CZ3-CB 3.43Å; W43-E95 VanDerWaalsContact CZ3-CD 3.48Å; W43-E95 HydrophobicContact CZ3-CG 3.36Å; T86-E95 CarbonylContact C-O 3.6Å; T86-E95 VanDerWaalsContact CA-O 3.31Å; T86-E95 WeakPolarHBondContact CA-O 3.27Å; G87-E95 PolarHBondContact N-O 3.47Å; G87-E95 PolarHBondContact O-N 2.99Å
96	L	58	Low	52.1	Low	1 Å²	1	67.4 Å²	67.4	1%	0.005	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	116.3	164.2	-176.7	89.5	0	0	0	109.1	Y42 F68 W75 V84 N85 T86 L98	Y42-L96 PolarHBondContact N-O 2.93Å; Y42-L96 PolarHBondContact O-N 3.32Å; F68-L96 HydrophobicContact CB-CD1 4.35Å; F68-L96 HydrophobicContact CD1-CB 3.41Å; F68-L96 VanDerWaalsContact CD1-CB 3.41Å; F68-L96 HydrophobicContact CD1-CD1 3.85Å; F68-L96 HydrophobicContact CD1-CD2 3.92Å; F68-L96 HydrophobicContact CD1-CG 3.92Å; F68-L96 HydrophobicContact CE1-CB 3.31Å; F68-L96 HydrophobicContact CE1-CD2 4.18Å; F68-L96 HydrophobicContact CE1-CG 4.22Å; F68-L96 HydrophobicContact CG-CB 4.46Å; F68-L96 HydrophobicContact CZ-CB 4.34Å; W75-L96 HydrophobicContact CE3-CD2 3.96Å; W75-L96 HydrophobicContact CZ3-CD2 3.7Å; V84-L96 HydrophobicContact CG1-CD1 3.47Å; V84-L96 VanDerWaalsContact CG1-CD1 3.47Å; V84-L96 HydrophobicContact CG1-CG 4.2Å; N85-L96 CarbonylContact O-C 3.59Å; N85-L96 WeakPolarHBondContact O-CA 3.35Å; T86-L96 HydrophobicContact CG2-CD1 3.44Å; T86-L96 VanDerWaalsContact CG2-CD1 3.44Å; L96-L98 HydrophobicContact CD2-CD2 3.92Å; L96-L98 HydrophobicContact CD2-CG 4.28Å; L96-L98 HydrophobicContact CG-CD2 4.16Å
97	Q	58.1	Low	50.6	Low	64 Å²	64	71.2 Å²	71.2	30%	0.299	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.3	177.4	-175.8	-176.1	-19.4	0	0	109.4	T39 V41 N85 D99	T39-Q97 HydrophobicContact CG2-CG 3.3Å; V41-Q97 HydrophobicContact CG2-CG 4.34Å; N85-Q97 HydrophobicContact CB-CB 4.34Å; N85-Q97 PolarHBondContact N-O 3.26Å; N85-Q97 PolarHBondContact O-N 2.9Å; Q97-D99 PolarHBondContact NE2-OD1 3.48Å
98	L	60.3	Low	49.2	Very low	6 Å²	6	75.9 Å²	75.9	3%	0.031	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120.8	174.7	-54.3	176	0	0	0	109.7	T39 K40 Y42 W75 V81 V84 L96	T39-L98 WeakPolarHBondContact CA-O 3.31Å; K40-L98 PolarHBondContact N-O 2.83Å; K40-L98 PolarHBondContact O-N 2.7Å; Y42-L98 HydrophobicContact CD2-CD1 4Å; Y42-L98 HydrophobicContact CD2-CG 4.39Å; Y42-L98 HydrophobicContact CE2-CD1 3.58Å; Y42-L98 HydrophobicContact CE2-CG 4.38Å; W75-L98 HydrophobicContact CD2-CD1 4.12Å; W75-L98 HydrophobicContact CE3-CD1 3.28Å; W75-L98 HydrophobicContact CE3-CD2 3.93Å; W75-L98 HydrophobicContact CE3-CG 4.18Å; W75-L98 HydrophobicContact CH2-CD1 4.34Å; W75-L98 HydrophobicContact CZ3-CD1 3.43Å; W75-L98 VanDerWaalsContact CZ3-CD1 3.43Å; W75-L98 HydrophobicContact CZ3-CG 4.4Å; V81-L98 HydrophobicContact CG1-CB 4.44Å; V81-L98 HydrophobicContact CG1-CD2 4.2Å; V84-L98 HydrophobicContact CB-CD2 4.12Å; V84-L98 HydrophobicContact CG1-CD2 3.78Å; V84-L98 HydrophobicContact CG2-CD2 3.53Å; L96-L98 HydrophobicContact CD2-CD2 3.92Å; L96-L98 HydrophobicContact CD2-CG 4.28Å; L96-L98 HydrophobicContact CG-CD2 4.16Å
99	D	61.3	Low	47.4	Very low	24 Å²	24	74.4 Å²	74.4	13%	0.128	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	112.5	171.1	-68.7	-28.7	0	0	0	109	T39 S82 N83 Q97	T39-D99 WeakPolarHBondContact CG2-OD1 3.47Å; T39-D99 PolarHBondContact OG1-OD1 2.9Å; S82-D99 PolarHBondContact N-O 3.05Å; S82-D99 PolarHBondContact OG-O 3.48Å; N83-D99 HydrophobicContact CB-CB 4.24Å; N83-D99 PolarHBondContact O-N 3.24Å; Q97-D99 PolarHBondContact NE2-OD1 3.48Å
100	L	60.3	Low	45.9	Very low	51 Å²	51	76 Å²	76	27%	0.267	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	133.3	179.3	-61.1	171.9	0	0	0	109.7	A38 T80 V81 D102	A38-L100 WeakPolarHBondContact O-CB 3.29Å; A38-L100 PolarHBondContact O-N 2.92Å; T80-L100 WeakPolarHBondContact O-CA 3.37Å; V81-L100 HydrophobicContact CG2-CD2 4.11Å; L100-D102 PolarHBondContact O-N 2.92Å
101	S	60.6	Low	44.2	Very low	47 Å²	47	77.8 Å²	77.8	33%	0.329	48%	0.48	S	S	.	.			trans	-61.4	128.3	168.2	-51	0	0	0	0	108	T80 S82 V103	T80-S101 PolarHBondContact O-N 3.31Å; S82-S101 WeakPolarHBondContact CB-OG 3.4Å; S101-V103 PolarHBondContact O-N 3.42Å
102	D	50.3	Low	42.5	Very low	100 Å²	100	80.1 Å²	80.1	54%	0.535	48%	0.484	S	S	.	.			trans	-55.3	111.3	171.1	-73.5	-37.7	0	0	0	107.8	L100 V104	L100-D102 PolarHBondContact O-N 2.92Å; D102-V104 PolarHBondContact O-N 3.35Å
103	V	41.7	Very low	41.1	Very low	116 Å²	116	82.9 Å²	82.9	70%	0.703	50%	0.504	S	S	*	.			trans	-66.4	90.6	167.9	179.1	0	0	0	0	104.3	S101 T105	S101-V103 PolarHBondContact O-N 3.42Å; V103-T105 VanDerWaalsContact C-N 3.34Å; V103-T105 PolarHBondContact O-N 3.21Å
104	V	33.3	Very low	39.5	Very low	122 Å²	122	88 Å²	88	74%	0.739	53%	0.529	S	S	*	.			trans	-49.7	109.3	166.3	176.4	0	0	0	0	104.5	D102 A106	D102-V104 PolarHBondContact O-N 3.35Å; V104-A106 PolarHBondContact O-N 3.05Å
105	T	27.5	Very low	37.9	Very low	124 Å²	124	94.2 Å²	94.2	76%	0.761	56%	0.562	S	S	*	*			trans	-57.6	96.7	170.8	35	0	0	0	0	105.5	V103 N107	V103-T105 VanDerWaalsContact C-N 3.34Å; V103-T105 PolarHBondContact O-N 3.21Å; T105-N107 PolarHBondContact O-N 3.25Å
106	A	25.4	Very low	36.3	Very low	92 Å²	92	98.8 Å²	98.8	76%	0.76	59%	0.588	S	S	*	*			trans	-67.6	85.4	179.3	0	0	0	0	0	107.7	V104	V104-A106 PolarHBondContact O-N 3.05Å
107	N	25.4	Very low	34.7	Very low	154 Å²	154	103.4 Å²	103.4	82%	0.824	62%	0.621	S	S	*	*			trans	-65.1	130.6	158.3	-100.1	-12.7	0	0	0	107.4	T105	T105-N107 PolarHBondContact O-N 3.25Å
108	P	27	Very low	33	Very low	126 Å²	126	105.8 Å²	105.8	82%	0.818	64%	0.639	S	S	*	*			trans	-83.3	135.4	-168.3	32.6	-32.5	0	0	0	111
109	G	20.5	Very low	31.3	Very low	78 Å²	78	116 Å²	116	80%	0.804	68%	0.677	S	S	*	*			trans	103.6	107.3	156.9	0	0	0	0	0	115.6
110	A	23.8	Very low	29.3	Very low	106 Å²	106	120.5 Å²	120.5	88%	0.876	71%	0.706	S	S	*	*				-168.5	133.2	127.6	0	0	0	0	0	109.5
111	E	20.8	Very low	27.8	Very low	156 Å²	156	125 Å²	125	73%	0.729	74%	0.735	S	S	*	*			trans	-68.6	160.7	178.5	-62.7	-178	135.5	0	0	114.1
112	K	20.7	Very low	25.9	Very low	175 Å²	175	131.2 Å²	131.2	76%	0.761	76%	0.759	S	S	*	*			trans	84.7	145.6	135.6	-86.4	163.2	-171.4	149.8	0	122.4
113	A	23.1	Very low	24.7	Very low	86 Å²	86	131.6 Å²	131.6	71%	0.711	77%	0.77	S	S	*	*			trans	81.9	108.7	159.6	0	0	0	0	0	116.4
114	E	19.7	Very low	23.6	Very low	175 Å²	175	132.3 Å²	132.3	82%	0.818	77%	0.774	S	S	*	*				50.3	104.4	82.1	-84.4	-175.2	165	0	0	112.7
115	N	23	Very low	23.2	Very low	135 Å²	135	132.8 Å²	132.8	72%	0.722	78%	0.777	S	S	*	*				167.2	136.9	99.8	-105.3	-11.7	0	0	0	112.6
116	D	21.6	Very low	23	Very low	137 Å²	137	134.1 Å²	134.1	73%	0.733	79%	0.785	S	S	*	*			trans	49.2	113.2	135.2	-84.7	-16.1	0	0	0	122.1
117	S	24.4	Very low	22.9	Very low	98 Å²	98	133.2 Å²	133.2	69%	0.685	79%	0.785	S	S	*	*				100.2	134.8	111.1	82.9	0	0	0	0	119.2
118	V	22.8	Very low	22.8	Very low	114 Å²	114	130.6 Å²	130.6	69%	0.691	79%	0.785	S	S	*	*			trans	96.9	106.6	138.5	171.5	0	0	0	0	118.8
119	R	23.9	Very low	22.7	Very low	221 Å²	221	130 Å²	130	83%	0.834	77%	0.774	S	S	*	*			trans	101.1	105.4	131	-82.3	174	-166.8	-179.2	1.8	121.7
120	T	20.2	Very low	22.8	Very low	118 Å²	118	135.7 Å²	135.7	72%	0.724	78%	0.783	S	S	*	*				44.3	115.3	120.5	45.4	0	0	0	0	120.3
121	V	27.3	Very low	22.8	Very low	146 Å²	146	140.1 Å²	140.1	89%	0.885	78%	0.777	S	S	*	*			trans	-133.9	123.5	136.9	177.1	0	0	0	0	108.3
122	E	20.7	Very low	23	Very low	177 Å²	177	137.8 Å²	137.8	83%	0.827	78%	0.778	S	S	*	*			trans	-81.6	142	171.6	-65.4	172.9	143.2	0	0	110.7
123	S	24.9	Very low	23.2	Very low	108 Å²	108	138 Å²	138	76%	0.755	79%	0.786	S	S	*	*			trans	-175.9	107.3	134.8	41.6	0	0	0	0	111.9
124	T	20.7	Very low	23.3	Very low	130 Å²	130	142.5 Å²	142.5	80%	0.798	79%	0.793	S	S	*	*			trans	8.6	123.7	142.5	33.7	0	0	0	0	120.2
125	T	23.6	Very low	23.5	Very low	132 Å²	132	141 Å²	141	81%	0.81	79%	0.79	S	S	*	*				-173.3	116.5	105.5	21.6	0	0	0	0	112.6	G127	T125-G127 PolarHBondContact O-N 2.8Å
126	V	23.2	Very low	23.6	Very low	152 Å²	152	145.1 Å²	145.1	92%	0.921	80%	0.795	S	S	*	*			trans	30.3	77.3	147.9	-161.2	0	0	0	0	117.7
127	G	22.8	Very low	23.9	Very low	74 Å²	74	144 Å²	144	76%	0.763	79%	0.794	S	S	*	*			trans	-113.8	110	159.3	0	0	0	0	0	108.9	T125 D129	T125-G127 PolarHBondContact O-N 2.8Å; G127-D129 PolarHBondContact O-N 3.09Å
128	A	25	Very low	24.2	Very low	99 Å²	99	147.1 Å²	147.1	82%	0.818	80%	0.797	S	S	*	*			trans	-61.9	115.9	-175.2	0	0	0	0	0	112.3	M130	A128-M130 PolarHBondContact O-N 2.89Å
129	D	25	Very low	24.4	Very low	112 Å²	112	149 Å²	149	60%	0.599	80%	0.803	S	S	*	*			trans	19.9	88.4	146	-94.5	10.6	0	0	0	116.5	G127 R131	G127-D129 PolarHBondContact O-N 3.09Å; D129-R131 HydrophobicContact CB-CG 4.24Å; D129-R131 PolarHBondContact O-N 3.36Å; D129-R131 IonicContact OD2-CZ 2.77Å; D129-R131 IonicContact OD2-NE 3.32Å; D129-R131 PolarHBondContact OD2-NE 3.16Å; D129-R131 IonicContact OD2-NH2 3.04Å; D129-R131 PolarHBondContact OD2-NH2 2.79Å
130	M	21.8	Very low	24.3	Very low	198 Å²	198	150 Å²	150	98%	0.975	81%	0.807	S	S	*	*			trans	-71.1	75.8	159.5	-148.7	169.8	85.6	0	0	108.5	A128 S132	A128-M130 PolarHBondContact O-N 2.89Å; M130-S132 PolarHBondContact O-N 3.04Å
131	R	24.5	Very low	24.5	Very low	200 Å²	200	153.5 Å²	153.5	76%	0.755	81%	0.812	S	S	*	*			trans	-76.1	121.6	173.9	-73.5	-177	-171.6	-166.6	1.9	109.9	D129 L133	D129-R131 HydrophobicContact CB-CG 4.24Å; D129-R131 PolarHBondContact O-N 3.36Å; D129-R131 IonicContact OD2-CZ 2.77Å; D129-R131 IonicContact OD2-NE 3.32Å; D129-R131 PolarHBondContact OD2-NE 3.16Å; D129-R131 IonicContact OD2-NH2 3.04Å; D129-R131 PolarHBondContact OD2-NH2 2.79Å; R131-L133 PolarHBondContact O-N 2.98Å
132	S	24.3	Very low	24.3	Very low	107 Å²	107	152.6 Å²	152.6	75%	0.748	81%	0.809	S	S	*	*			trans	-49.6	121.9	174.6	48.6	0	0	0	0	112.2	M130 Q134	M130-S132 PolarHBondContact O-N 3.04Å; S132-Q134 PolarHBondContact O-N 3.23Å
133	L	25.3	Very low	24.4	Very low	180 Å²	180	150.8 Å²	150.8	94%	0.942	81%	0.809	S	S	*	*	S	Bend	trans	-78.7	54.7	175.9	-82.6	158	0	0	0	111.9	R131	R131-L133 PolarHBondContact O-N 2.98Å
134	Q	24.5	Very low	24.3	Very low	180 Å²	180	155.4 Å²	155.4	84%	0.841	81%	0.811	S	S	*	*			trans	-109.5	4.9	173.2	-88.2	-170.1	-12.8	0	0	115.4	S132	S132-Q134 PolarHBondContact O-N 3.23Å
135	D	24.1	Very low	24.5	Very low	144 Å²	144	156.7 Å²	156.7	77%	0.77	81%	0.811	S	S	*	*			trans	-133.8	90.1	178.4	-93.6	-34.9	0	0	0	113.5
136	R	26.1	Very low	24.6	Very low	220 Å²	220	156.8 Å²	156.8	83%	0.83	81%	0.807	S	S	*	*			trans	-149.5	63.8	153.7	-76.7	-163	130.3	146.1	-5.9	112.1	H138	R136-H138 PolarHBondContact O-N 3.03Å
137	T	27.8	Very low	24.6	Very low	115 Å²	115	156.5 Å²	156.5	71%	0.706	80%	0.8	S	S	*	*			trans	-81.5	14.9	159.4	34	0	0	0	0	113.1
138	H	30.6	Very low	24.6	Very low	163 Å²	163	162.9 Å²	162.9	76%	0.755	80%	0.803	S	S	*	*			trans	-128.1	68.4	-176.4	-62.7	-53.7	0	0	0	113.7	R136	R136-H138 PolarHBondContact O-N 3.03Å
139	L	25.2	Very low	24.4	Very low	154 Å²	154	165.4 Å²	165.4	81%	0.806	80%	0.8	S	S	*	*			trans	-136.9	71.9	151.3	-77.1	175.9	0	0	0	109.6
140	R	22.5	Very low	24.2	Very low	242 Å²	242	168.1 Å²	168.1	91%	0.913	81%	0.813	S	S	*	*			trans	-88.6	95	158.7	-78.6	-176	175	-171.1	-1.1	108
141	K	24	Very low	24	Very low	190 Å²	190	165.2 Å²	165.2	83%	0.826	80%	0.801	S	S	*	*	S	Bend	trans	165.8	135.3	141.5	-91.6	167.9	-175.1	-174.1	0	110.7
142	P	23.9	Very low	23.8	Very low	127 Å²	127	161.2 Å²	161.2	83%	0.825	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-78	126	-178.9	30	-31.3	0	0	0	111.1
143	V	23.1	Very low	23.7	Very low	139 Å²	139	162.3 Å²	162.3	84%	0.842	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-85.8	124.6	173	-179.3	0	0	0	0	107.8
144	R	21.8	Very low	23.4	Very low	206 Å²	206	161 Å²	161	78%	0.777	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-78.3	146.6	-178.8	-82.9	-175.7	154.9	-166.4	-7.1	110.9	D146	R144-D146 VanDerWaalsContact C-N 3.3Å; R144-D146 PolarHBondContact O-N 3.5Å
145	L	24.9	Very low	23.3	Very low	156 Å²	156	156.8 Å²	156.8	82%	0.817	80%	0.796	S	S	*	*	G	3₁₀ helix	trans	-80.6	-0.2	-169.2	-139.8	84.1	0	0	0	114.7	D147	L145-D147 VanDerWaalsContact C-N 3.28Å; L145-D147 PolarHBondContact O-N 3.26Å
146	D	25.7	Very low	23.2	Very low	134 Å²	134	158.7 Å²	158.7	72%	0.717	80%	0.8	S	S	*	*	G	3₁₀ helix	trans	-77.8	-5.5	-169.7	-61	-31.8	0	0	0	114.3	R144 Y148	R144-D146 VanDerWaalsContact C-N 3.3Å; R144-D146 PolarHBondContact O-N 3.5Å; D146-Y148 PolarHBondContact O-N 3.44Å
147	D	23.2	Very low	23.1	Very low	146 Å²	146	154.5 Å²	154.5	78%	0.781	80%	0.798	S	S	*	*	G	3₁₀ helix	trans	-88.2	5.4	-176.3	-75.2	-19.2	0	0	0	114.8	L145	L145-D147 VanDerWaalsContact C-N 3.28Å; L145-D147 PolarHBondContact O-N 3.26Å
148	Y	23.1	Very low	22.9	Very low	208 Å²	208	156.1 Å²	156.1	82%	0.816	80%	0.802	S	S	*	*			trans	-108.1	82.7	172.7	-70.2	-79.4	0	0	0	111.5	D146 L150	D146-Y148 PolarHBondContact O-N 3.44Å; Y148-L150 PolarHBondContact O-N 2.94Å
149	M	20.4	Very low	22.9	Very low	152 Å²	152	158.9 Å²	158.9	75%	0.749	81%	0.812	S	S	*	*			trans	-73.2	111.4	164.4	-126.4	-162.4	68.5	0	0	109	L151	M149-L151 HydrophobicContact CE-CD2 3.96Å; M149-L151 HydrophobicContact CE-CG 4.2Å; M149-L151 PolarHBondContact O-N 3.46Å; M149-L151 VanDerWaalsContact O-N 3.09Å
150	L	20.4	Very low	22.9	Very low	170 Å²	170	155.9 Å²	155.9	89%	0.89	80%	0.804	S	S	*	*			trans	-65.6	104.5	173.3	-99.4	97.6	0	0	0	109.7	Y148	Y148-L150 PolarHBondContact O-N 2.94Å
151	L	19.3	Very low	23.3	Very low	137 Å²	137	149.2 Å²	149.2	72%	0.717	79%	0.794	S	S	*	*			trans	-90.2	110.3	164	-75.7	167.6	0	0	0	108.7	M149 V153	M149-L151 HydrophobicContact CE-CD2 3.96Å; M149-L151 HydrophobicContact CE-CG 4.2Å; M149-L151 PolarHBondContact O-N 3.46Å; M149-L151 VanDerWaalsContact O-N 3.09Å; L151-V153 PolarHBondContact O-N 3.12Å
152	S	20.5	Very low	23.4	Very low	116 Å²	116	148.1 Å²	148.1	81%	0.811	79%	0.794	S	S	*	*			trans	-63.8	115.3	162.1	54.2	0	0	0	0	109.4
153	V	20.4	Very low	23.7	Very low	129 Å²	129	146.2 Å²	146.2	78%	0.782	79%	0.789	S	S	*	*			trans	-144.2	120.9	166.5	-172.2	0	0	0	0	109.8	L151	L151-V153 PolarHBondContact O-N 3.12Å
154	D	20.7	Very low	24	Very low	153 Å²	153	146.7 Å²	146.7	82%	0.818	79%	0.787	S	S	*	*			trans	-58.8	154.4	165.9	-71.6	-58.9	0	0	0	112.9
155	A	22.3	Very low	24.4	Very low	92 Å²	92	146.2 Å²	146.2	76%	0.76	79%	0.785	S	S	*	*	S	Bend	trans	71.8	121	158.2	0	0	0	0	0	118.8
156	E	21.8	Very low	24.4	Very low	184 Å²	184	144.6 Å²	144.6	86%	0.86	78%	0.777	S	S	*	*			trans	69.2	114	148.7	-69.6	-173.2	162.8	0	0	119.4
157	V	23.6	Very low	24.6	Very low	132 Å²	132	143.7 Å²	143.7	80%	0.8	78%	0.776	S	S	*	*			trans	83.7	88.2	156.4	-169.4	0	0	0	0	116.9
158	L	22.7	Very low	24.8	Very low	149 Å²	149	140.2 Å²	140.2	78%	0.78	76%	0.757	S	S	*	*				-169	103.9	104.8	-107.4	139.7	0	0	0	110.2	S160	L158-S160 VanDerWaalsContact C-N 3.26Å; L158-S160 PolarHBondContact O-N 2.99Å
159	K	31	Very low	25.3	Very low	220 Å²	220	134 Å²	134	96%	0.957	74%	0.737	S	S	*	*			trans	-69	83.1	166.5	-73.5	-180	176	179.2	0	109
160	S	25.9	Very low	25.9	Very low	91 Å²	91	130.5 Å²	130.5	64%	0.636	73%	0.732	S	S	*	*	S	Bend	trans	166.1	101.9	172	162.2	0	0	0	0	104.6	L158	L158-S160 VanDerWaalsContact C-N 3.26Å; L158-S160 PolarHBondContact O-N 2.99Å
161	S	31.4	Very low	26.7	Very low	102 Å²	102	129.2 Å²	129.2	71%	0.713	72%	0.722	S	S	*	*	S	Bend	cis	-154.8	45.5	41.1	60.5	0	0	0	0	111.9	A163	S161-A163 VanDerWaalsContact C-N 3.34Å
162	M	26.5	Very low	27.3	Very low	168 Å²	168	126.3 Å²	126.3	83%	0.828	71%	0.707	S	S	*	*	S	Bend	trans	-88.5	-3	161.7	-90.2	-171.3	178.1	0	0	112.8	D164	M162-D164 VanDerWaalsContact C-N 3.28Å; M162-D164 PolarHBondContact O-N 2.86Å
163	A	29.8	Very low	28	Very low	86 Å²	86	123.9 Å²	123.9	71%	0.711	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-4.4	-176.4	0	0	0	0	0	114.9	S161	S161-A163 VanDerWaalsContact C-N 3.34Å
164	D	28	Very low	28.5	Very low	150 Å²	150	122.2 Å²	122.2	80%	0.802	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	6.6	175.5	-70.1	-21.4	0	0	0	113.4	M162 L166	M162-D164 VanDerWaalsContact C-N 3.28Å; M162-D164 PolarHBondContact O-N 2.86Å; D164-L166 PolarHBondContact O-N 2.81Å; D164-L166 VanDerWaalsContact O-N 3.15Å
165	R	30	Very low	29.3	Very low	195 Å²	195	121 Å²	121	74%	0.736	67%	0.666	S	S	*	*	S	Bend	trans	-78.7	99.1	162	-74.2	-173.9	178.6	-177.3	-3.9	107	V167	R165-V167 PolarHBondContact O-N 2.89Å; R165-V167 VanDerWaalsContact O-N 3.1Å
166	L	25.6	Very low	29.4	Very low	123 Å²	123	121.1 Å²	121.1	64%	0.644	66%	0.657	S	S	*	*			trans	-38	120.7	168.5	-109.5	90.4	0	0	0	108.2	D164 L168	D164-L166 PolarHBondContact O-N 2.81Å; D164-L166 VanDerWaalsContact O-N 3.15Å; L166-L168 HydrophobicContact CB-CD2 4.33Å; L166-L168 HydrophobicContact CD2-CD2 4.43Å; L166-L168 PolarHBondContact O-N 2.58Å
167	V	30.1	Very low	29.6	Very low	115 Å²	115	116.9 Å²	116.9	70%	0.697	65%	0.645	S	S	*	*			trans	-64.1	100.4	159.5	175.2	0	0	0	0	104.3	R165 N169	R165-V167 PolarHBondContact O-N 2.89Å; R165-V167 VanDerWaalsContact O-N 3.1Å; V167-N169 PolarHBondContact O-N 3.36Å; V167-N169 PolarHBondContact O-ND2 2.91Å
168	L	28.2	Very low	29.7	Very low	73 Å²	73	119 Å²	119	38%	0.382	64%	0.644	S	S	.	*			trans	-70.3	101.8	179.8	-69.1	162	0	0	0	108.2	L166 D172 F173	L166-L168 HydrophobicContact CB-CD2 4.33Å; L166-L168 HydrophobicContact CD2-CD2 4.43Å; L166-L168 PolarHBondContact O-N 2.58Å; L168-D172 VanDerWaalsContact CA-OD2 3.27Å; L168-D172 WeakPolarHBondContact CA-OD2 3.46Å; L168-D172 HydrophobicContact CD2-CB 4.26Å; L168-F173 HydrophobicContact CB-CD2 4.5Å; L168-F173 HydrophobicContact CB-CE2 3.6Å; L168-F173 HydrophobicContact CB-CZ 4.13Å; L168-F173 HydrophobicContact CD1-CE2 3.95Å; L168-F173 HydrophobicContact CD1-CZ 3.63Å; L168-F173 HydrophobicContact CD2-CE1 4.44Å; L168-F173 HydrophobicContact CD2-CE2 3.9Å; L168-F173 HydrophobicContact CD2-CZ 3.72Å; L168-F173 HydrophobicContact CG-CE2 4.01Å; L168-F173 HydrophobicContact CG-CZ 4.02Å
169	N	33.8	Very low	30.1	Very low	77 Å²	77	116.8 Å²	116.8	41%	0.412	64%	0.638	S	S	.	*			trans	-82.2	157.5	171.9	-61.5	-60.5	0	0	0	108.8	V167 E171 D172	V167-N169 PolarHBondContact O-N 3.36Å; V167-N169 PolarHBondContact O-ND2 2.91Å; N169-E171 HydrophobicContact CB-CB 4.42Å; N169-E171 PolarHBondContact O-N 2.98Å; N169-D172 PolarHBondContact N-OD2 3.37Å; N169-D172 WeakPolarHBondContact O-CB 3.43Å; N169-D172 PolarHBondContact O-N 3.32Å
170	A	33.1	Very low	30.4	Very low	78 Å²	78	113.1 Å²	113.1	65%	0.645	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-54.4	-24.3	176.8	0	0	0	0	0	112.9
171	E	35.8	Very low	30.7	Very low	144 Å²	144	112.4 Å²	112.4	67%	0.673	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-66.6	-35.5	176.1	-56.1	165.2	-143	0	0	112.4	N169 F173	N169-E171 HydrophobicContact CB-CB 4.42Å; N169-E171 PolarHBondContact O-N 2.98Å; E171-F173 PolarHBondContact O-N 3.35Å; E171-F173 VanDerWaalsContact O-N 3.17Å
172	D	33.2	Very low	30.7	Very low	76 Å²	76	116.8 Å²	116.8	41%	0.406	61%	0.61	S	S	.	*	G	3₁₀ helix	trans	-69.9	-15.9	-176.5	-62.9	-42.6	0	0	0	113.2	L168 N169	L168-D172 VanDerWaalsContact CA-OD2 3.27Å; L168-D172 WeakPolarHBondContact CA-OD2 3.46Å; L168-D172 HydrophobicContact CD2-CB 4.26Å; N169-D172 PolarHBondContact N-OD2 3.37Å; N169-D172 WeakPolarHBondContact O-CB 3.43Å; N169-D172 PolarHBondContact O-N 3.32Å
173	F	35.1	Very low	31.2	Very low	64 Å²	64	118.4 Å²	118.4	28%	0.281	61%	0.607	S	S	.	*	G	3₁₀ helix	trans	-104.6	28	-174.1	-72.2	-69	0	0	0	114.2	L168 E171	L168-F173 HydrophobicContact CB-CD2 4.5Å; L168-F173 HydrophobicContact CB-CE2 3.6Å; L168-F173 HydrophobicContact CB-CZ 4.13Å; L168-F173 HydrophobicContact CD1-CE2 3.95Å; L168-F173 HydrophobicContact CD1-CZ 3.63Å; L168-F173 HydrophobicContact CD2-CE1 4.44Å; L168-F173 HydrophobicContact CD2-CE2 3.9Å; L168-F173 HydrophobicContact CD2-CZ 3.72Å; L168-F173 HydrophobicContact CG-CE2 4.01Å; L168-F173 HydrophobicContact CG-CZ 4.02Å; E171-F173 PolarHBondContact O-N 3.35Å; E171-F173 VanDerWaalsContact O-N 3.17Å
174	V	29.7	Very low	31.5	Very low	94 Å²	94	121 Å²	121	57%	0.57	60%	0.598	S	S	*	*			trans	130.2	111.5	156.5	173	0	0	0	0	110.9	T176	V174-T176 VanDerWaalsContact CG1-C 3.49Å; V174-T176 WeakPolarHBondContact CG1-O 3.26Å; V174-T176 PolarHBondContact O-N 3.33Å
175	D	37.4	Very low	31.8	Very low	129 Å²	129	117.2 Å²	117.2	69%	0.69	59%	0.588	S	S	*	*	S	Bend	trans	-67.2	-15.1	174.8	-74.9	-43.7	0	0	0	114.2
176	T	25.6	Very low	32.1	Very low	94 Å²	94	112.3 Å²	112.3	58%	0.577	57%	0.572	S	S	*	*	S	Bend	trans	-132.1	97.3	-176.4	33.2	0	0	0	0	110.3	V174 F178	V174-T176 VanDerWaalsContact CG1-C 3.49Å; V174-T176 WeakPolarHBondContact CG1-O 3.26Å; V174-T176 PolarHBondContact O-N 3.33Å; T176-F178 PolarHBondContact O-N 3.49Å
177	P	26.1	Very low	32.9	Very low	95 Å²	95	108.6 Å²	108.6	62%	0.617	55%	0.553	S	S	*	*			trans	-53.8	120.6	170.3	21.4	-30.5	0	0	0	107.5
178	F	24.5	Very low	33.4	Very low	177 Å²	177	106.1 Å²	106.1	78%	0.776	54%	0.536	S	S	*	.			trans	-48.2	130.5	168.7	-99.3	-89.1	0	0	0	106.4	T176 R180 D181	T176-F178 PolarHBondContact O-N 3.49Å; F178-R180 PolarHBondContact O-N 2.87Å; F178-D181 PolarHBondContact O-N 2.86Å
179	P	32.3	Very low	33.9	Very low	101 Å²	101	106.4 Å²	106.4	66%	0.656	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	16	-159.4	-22.9	32.9	0	0	0	116.6
180	R	37.2	Very low	34.3	Very low	143 Å²	143	103 Å²	103	54%	0.54	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.9	0.3	-169.5	-63	-179.2	-171.8	-115	-3.4	115.1	F178 V475	F178-R180 PolarHBondContact O-N 2.87Å; R180-V475 PolarHBondContact NH1-O 3.03Å
181	D	30.7	Very low	34.9	Very low	77 Å²	77	100.8 Å²	100.8	41%	0.412	49%	0.493	S	S	.	.			trans	-129.5	76.9	-179.4	-85.1	-9.3	0	0	0	110.1	F178 W183 R184	F178-D181 PolarHBondContact O-N 2.86Å; D181-W183 PolarHBondContact O-N 3.41Å; D181-R184 HydrophobicContact CB-CG 4.25Å; D181-R184 IonicContact OD2-CZ 2.58Å; D181-R184 IonicContact OD2-NE 3.29Å; D181-R184 PolarHBondContact OD2-NE 3.36Å; D181-R184 IonicContact OD2-NH2 3.95Å; D181-R184 PolarHBondContact OD2-NH2 2.92Å
182	Y	31.6	Very low	35.1	Very low	193 Å²	193	95.8 Å²	95.8	76%	0.757	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-2.8	177.1	-75	-80	0	0	0	114.5
183	W	36.7	Very low	35.3	Very low	203 Å²	203	94.1 Å²	94.1	77%	0.769	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-8.9	-168.6	-58.1	92.3	0	0	0	113.9	D181 D187	D181-W183 PolarHBondContact O-N 3.41Å; W183-D187 WeakPolarHBondContact O-CB 3.29Å; W183-D187 VanDerWaalsContact O-CG 3.24Å
184	R	37.8	Very low	35.5	Very low	140 Å²	140	91.6 Å²	91.6	53%	0.528	46%	0.458	S	S	.	.	H	α-helix	trans	-91	-26.1	-168.4	-71.2	-164.9	-159.2	-133.5	5.4	117.1	D181 F186 D187 N188	D181-R184 HydrophobicContact CB-CG 4.25Å; D181-R184 IonicContact OD2-CZ 2.58Å; D181-R184 IonicContact OD2-NE 3.29Å; D181-R184 PolarHBondContact OD2-NE 3.36Å; D181-R184 IonicContact OD2-NH2 3.95Å; D181-R184 PolarHBondContact OD2-NH2 2.92Å; R184-F186 PolarHBondContact O-N 3.46Å; R184-D187 PolarHBondContact O-N 3.02Å; R184-N188 WeakPolarHBondContact O-CA 3.25Å; R184-N188 WeakPolarHBondContact O-CB 3.33Å; R184-N188 PolarHBondContact O-N 3.03Å; R184-N188 PolarHBondContact O-ND2 3.47Å
185	A	32.5	Very low	36.1	Very low	70 Å²	70	90 Å²	90	58%	0.579	45%	0.448	S	S	*	.	H	α-helix	trans	-64	-45.5	-173.4	0	0	0	0	0	111.7	F189	A185-F189 WeakPolarHBondContact O-CB 3.46Å; A185-F189 PolarHBondContact O-N 3.07Å
186	F	37.1	Very low	36.1	Very low	93 Å²	93	87.9 Å²	87.9	41%	0.408	44%	0.436	S	S	.	.	H	α-helix	trans	-71.3	-44.4	176.5	-171.5	-97.8	0	0	0	112	R184 N188 F189 V190 T219	R184-F186 PolarHBondContact O-N 3.46Å; F186-N188 VanDerWaalsContact C-N 3.34Å; F186-N188 PolarHBondContact O-N 3.43Å; F186-F189 CarbonylContact O-C 3.53Å; F186-F189 WeakPolarHBondContact O-CB 3.42Å; F186-F189 PolarHBondContact O-N 3.02Å; F186-F189 VanDerWaalsContact O-N 3.14Å; F186-V190 HydrophobicContact CD1-CG2 3.9Å; F186-V190 HydrophobicContact CE1-CG2 3.48Å; F186-V190 VanDerWaalsContact CE1-CG2 3.48Å; F186-V190 HydrophobicContact CE2-CG2 4.45Å; F186-V190 HydrophobicContact CZ-CG2 3.76Å; F186-V190 WeakPolarHBondContact O-CB 3.48Å; F186-V190 VanDerWaalsContact O-CG2 3.31Å; F186-V190 WeakPolarHBondContact O-CG2 3.38Å; F186-V190 PolarHBondContact O-N 3.4Å; F186-T219 HydrophobicContact CE2-CG2 4.18Å; F186-T219 HydrophobicContact CZ-CG2 3.55Å
187	D	42.2	Very low	36.5	Very low	45 Å²	45	87 Å²	87	24%	0.241	43%	0.433	C	S	.	.	H	α-helix	trans	-64	-38	177.4	-69.8	-14.9	0	0	0	111.8	W183 R184 V190 L191 Y227	W183-D187 WeakPolarHBondContact O-CB 3.29Å; W183-D187 VanDerWaalsContact O-CG 3.24Å; R184-D187 PolarHBondContact O-N 3.02Å; D187-V190 PolarHBondContact O-N 3.45Å; D187-L191 VanDerWaalsContact O-CB 3.24Å; D187-L191 WeakPolarHBondContact O-CB 3.36Å; D187-L191 WeakPolarHBondContact O-CG 3.32Å; D187-L191 PolarHBondContact O-N 3.05Å; D187-Y227 PolarHBondContact OD1-OH 3.37Å
188	N	40.4	Very low	36.9	Very low	63 Å²	63	83.8 Å²	83.8	34%	0.337	41%	0.413	S	S	.	.	H	α-helix	trans	-67.6	-37.9	173	-71.6	-15.9	0	0	0	111.3	R184 F186 S192	R184-N188 WeakPolarHBondContact O-CA 3.25Å; R184-N188 WeakPolarHBondContact O-CB 3.33Å; R184-N188 PolarHBondContact O-N 3.03Å; R184-N188 PolarHBondContact O-ND2 3.47Å; F186-N188 VanDerWaalsContact C-N 3.34Å; F186-N188 PolarHBondContact O-N 3.43Å; N188-S192 WeakPolarHBondContact O-CB 3.36Å; N188-S192 PolarHBondContact O-N 3.36Å; N188-S192 PolarHBondContact O-OG 3.01Å
189	F	39.6	Very low	37.4	Very low	78 Å²	78	80.1 Å²	80.1	34%	0.342	40%	0.398	S	S	.	.	H	α-helix	trans	-64.1	-42.6	173.3	174.5	-97.1	0	0	0	111.2	A185 F186 S192 S193	A185-F189 WeakPolarHBondContact O-CB 3.46Å; A185-F189 PolarHBondContact O-N 3.07Å; F186-F189 CarbonylContact O-C 3.53Å; F186-F189 WeakPolarHBondContact O-CB 3.42Å; F186-F189 PolarHBondContact O-N 3.02Å; F186-F189 VanDerWaalsContact O-N 3.14Å; F189-S192 PolarHBondContact O-N 3.25Å; F189-S193 WeakPolarHBondContact O-CB 3.17Å; F189-S193 PolarHBondContact O-N 3.16Å; F189-S193 PolarHBondContact O-OG 2.88Å
190	V	42.7	Very low	37.7	Very low	6 Å²	6	78.7 Å²	78.7	4%	0.036	39%	0.389	C	S	.	.	H	α-helix	trans	-65.1	-50.2	175.5	171.3	0	0	0	0	110.4	F186 D187 S192 S193 L194 L215 L231	F186-V190 HydrophobicContact CD1-CG2 3.9Å; F186-V190 HydrophobicContact CE1-CG2 3.48Å; F186-V190 VanDerWaalsContact CE1-CG2 3.48Å; F186-V190 HydrophobicContact CE2-CG2 4.45Å; F186-V190 HydrophobicContact CZ-CG2 3.76Å; F186-V190 WeakPolarHBondContact O-CB 3.48Å; F186-V190 VanDerWaalsContact O-CG2 3.31Å; F186-V190 WeakPolarHBondContact O-CG2 3.38Å; F186-V190 PolarHBondContact O-N 3.4Å; D187-V190 PolarHBondContact O-N 3.45Å; V190-S192 VanDerWaalsContact C-N 3.33Å; V190-S192 PolarHBondContact O-N 2.94Å; V190-S193 PolarHBondContact O-N 3.28Å; V190-L194 HydrophobicContact CG1-CD1 3.52Å; V190-L194 HydrophobicContact CG1-CG 4.37Å; V190-L194 VanDerWaalsContact O-CB 3.3Å; V190-L194 WeakPolarHBondContact O-CB 3.38Å; V190-L194 WeakPolarHBondContact O-CD1 3.38Å; V190-L194 WeakPolarHBondContact O-CG 3.43Å; V190-L194 PolarHBondContact O-N 2.68Å; V190-L215 HydrophobicContact CG1-CD1 4.31Å; V190-L215 HydrophobicContact CG1-CD2 4.33Å; V190-L215 HydrophobicContact CG2-CD2 4.18Å; V190-L231 HydrophobicContact CG1-CD1 4.01Å; V190-L231 HydrophobicContact CG1-CD2 4.27Å
191	L	44.1	Very low	37.7	Very low	32 Å²	32	78 Å²	78	17%	0.168	40%	0.403	C	S	.	.	H	α-helix	trans	-57.7	-44	175.3	-74.1	170	0	0	0	111.3	D187 L194 V195 L235	D187-L191 VanDerWaalsContact O-CB 3.24Å; D187-L191 WeakPolarHBondContact O-CB 3.36Å; D187-L191 WeakPolarHBondContact O-CG 3.32Å; D187-L191 PolarHBondContact O-N 3.05Å; L191-L194 PolarHBondContact O-N 3.06Å; L191-V195 WeakPolarHBondContact O-CB 3.39Å; L191-V195 WeakPolarHBondContact O-CG2 3.24Å; L191-V195 PolarHBondContact O-N 3.03Å; L191-L235 HydrophobicContact CD2-CB 4.21Å; L191-L235 HydrophobicContact CD2-CD1 3.75Å
192	S	40.8	Very low	37.8	Very low	38 Å²	38	78.8 Å²	78.8	27%	0.266	41%	0.407	S	S	.	.	H	α-helix	trans	-67.9	-44.1	178.6	-59.9	0	0	0	0	111.7	N188 F189 V190 L194 V195 L196	N188-S192 WeakPolarHBondContact O-CB 3.36Å; N188-S192 PolarHBondContact O-N 3.36Å; N188-S192 PolarHBondContact O-OG 3.01Å; F189-S192 PolarHBondContact O-N 3.25Å; V190-S192 VanDerWaalsContact C-N 3.33Å; V190-S192 PolarHBondContact O-N 2.94Å; S192-L194 PolarHBondContact O-N 3.18Å; S192-V195 PolarHBondContact O-N 2.9Å; S192-L196 WeakPolarHBondContact O-CB 3.33Å; S192-L196 VanDerWaalsContact O-CG 3.27Å; S192-L196 WeakPolarHBondContact O-CG 3.29Å; S192-L196 PolarHBondContact O-N 3.42Å
193	S	37.2	Very low	37.8	Very low	41 Å²	41	78.4 Å²	78.4	29%	0.287	41%	0.405	S	S	.	.	H	α-helix	trans	-59.3	-39.1	174.8	-62.9	0	0	0	0	111.1	F189 V190 L196 C197	F189-S193 WeakPolarHBondContact O-CB 3.17Å; F189-S193 PolarHBondContact O-N 3.16Å; F189-S193 PolarHBondContact O-OG 2.88Å; V190-S193 PolarHBondContact O-N 3.28Å; S193-L196 WeakPolarHBondContact O-CB 3.41Å; S193-L196 PolarHBondContact O-N 2.93Å; S193-C197 PolarHBondContact O-N 3.22Å; S193-C197 PolarHBondContact O-SG 3.46Å
194	L	39.7	Very low	37.8	Very low	12 Å²	12	75.9 Å²	75.9	6%	0.063	40%	0.402	C	S	.	.	H	α-helix	trans	-76.2	-37.7	179.4	-69.3	166	0	0	0	112.8	V190 L191 S192 L196 C197 C198 I211 L235	V190-L194 HydrophobicContact CG1-CD1 3.52Å; V190-L194 HydrophobicContact CG1-CG 4.37Å; V190-L194 VanDerWaalsContact O-CB 3.3Å; V190-L194 WeakPolarHBondContact O-CB 3.38Å; V190-L194 WeakPolarHBondContact O-CD1 3.38Å; V190-L194 WeakPolarHBondContact O-CG 3.43Å; V190-L194 PolarHBondContact O-N 2.68Å; L191-L194 PolarHBondContact O-N 3.06Å; S192-L194 PolarHBondContact O-N 3.18Å; L194-L196 VanDerWaalsContact C-N 3.27Å; L194-L196 PolarHBondContact O-N 3.43Å; L194-C197 CarbonylContact O-C 3.58Å; L194-C197 WeakPolarHBondContact O-CB 3.44Å; L194-C197 PolarHBondContact O-N 3.32Å; L194-C198 PolarHBondContact O-N 3.34Å; L194-C198 PolarHBondContact O-SG 2.76Å; L194-I211 HydrophobicContact CD2-CD1 3.77Å; L194-I211 HydrophobicContact CD2-CG1 4.39Å; L194-I211 HydrophobicContact CD2-CG2 3.58Å; L194-L235 HydrophobicContact CB-CD1 3.41Å; L194-L235 VanDerWaalsContact CB-CD1 3.41Å; L194-L235 HydrophobicContact CB-CD2 3.98Å; L194-L235 HydrophobicContact CB-CG 4.39Å; L194-L235 HydrophobicContact CD1-CD1 3.68Å; L194-L235 HydrophobicContact CD1-CD2 3.71Å; L194-L235 HydrophobicContact CD1-CG 4.24Å; L194-L235 HydrophobicContact CD2-CD2 4.31Å; L194-L235 HydrophobicContact CG-CD1 4.16Å; L194-L235 HydrophobicContact CG-CD2 4.22Å
195	V	42.4	Very low	37.7	Very low	60 Å²	60	74 Å²	74	36%	0.364	42%	0.417	S	S	.	.	H	α-helix	trans	-61	-38.9	170.5	167.2	0	0	0	0	110.4	L191 S192 C198 E199	L191-V195 WeakPolarHBondContact O-CB 3.39Å; L191-V195 WeakPolarHBondContact O-CG2 3.24Å; L191-V195 PolarHBondContact O-N 3.03Å; S192-V195 PolarHBondContact O-N 2.9Å; V195-C198 CarbonylContact O-C 3.59Å; V195-C198 WeakPolarHBondContact O-CA 3.45Å; V195-C198 WeakPolarHBondContact O-CB 3.48Å; V195-C198 PolarHBondContact O-N 2.97Å; V195-C198 VanDerWaalsContact O-N 3.12Å; V195-E199 PolarHBondContact O-N 3.5Å
196	L	36.8	Very low	38.2	Very low	84 Å²	84	73.3 Å²	73.3	44%	0.44	41%	0.405	S	S	.	.	H	α-helix	trans	-66.1	-39.8	172.7	-72.9	168.8	0	0	0	112.1	S192 S193 L194 C198 E199	S192-L196 WeakPolarHBondContact O-CB 3.33Å; S192-L196 VanDerWaalsContact O-CG 3.27Å; S192-L196 WeakPolarHBondContact O-CG 3.29Å; S192-L196 PolarHBondContact O-N 3.42Å; S193-L196 WeakPolarHBondContact O-CB 3.41Å; S193-L196 PolarHBondContact O-N 2.93Å; L194-L196 VanDerWaalsContact C-N 3.27Å; L194-L196 PolarHBondContact O-N 3.43Å; L196-C198 PolarHBondContact O-N 3.48Å; L196-E199 WeakPolarHBondContact O-CB 3.29Å; L196-E199 PolarHBondContact O-N 3.09Å; L196-E199 VanDerWaalsContact O-N 3.08Å
197	C	33.6	Very low	38.8	Very low	76 Å²	76	73 Å²	73	51%	0.514	41%	0.408	S	S	.	.	H	α-helix	trans	-63.5	-21.4	170.9	-67.9	0	0	0	0	113.1	S193 L194	S193-C197 PolarHBondContact O-N 3.22Å; S193-C197 PolarHBondContact O-SG 3.46Å; L194-C197 CarbonylContact O-C 3.58Å; L194-C197 WeakPolarHBondContact O-CB 3.44Å; L194-C197 PolarHBondContact O-N 3.32Å
198	C	36.3	Very low	39	Very low	28 Å²	28	74.9 Å²	74.9	19%	0.189	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	9.6	175.7	-62.1	0	0	0	0	113	L194 V195 L196 P200	L194-C198 PolarHBondContact O-N 3.34Å; L194-C198 PolarHBondContact O-SG 2.76Å; V195-C198 CarbonylContact O-C 3.59Å; V195-C198 WeakPolarHBondContact O-CA 3.45Å; V195-C198 WeakPolarHBondContact O-CB 3.48Å; V195-C198 PolarHBondContact O-N 2.97Å; V195-C198 VanDerWaalsContact O-N 3.12Å; L196-C198 PolarHBondContact O-N 3.48Å; C198-P200 WeakPolarHBondContact O-CD 3.4Å
199	E	33.6	Very low	39.4	Very low	99 Å²	99	78.7 Å²	78.7	46%	0.463	43%	0.427	S	S	.	.			trans	-67.4	127.2	170.1	-79.9	-167.6	161.3	0	0	110.3	V195 L196 L202	V195-E199 PolarHBondContact O-N 3.5Å; L196-E199 WeakPolarHBondContact O-CB 3.29Å; L196-E199 PolarHBondContact O-N 3.09Å; L196-E199 VanDerWaalsContact O-N 3.08Å; E199-L202 WeakPolarHBondContact O-CB 3.29Å; E199-L202 PolarHBondContact O-N 3.22Å; E199-L202 VanDerWaalsContact O-N 3.08Å
200	P	39.3	Very low	40	Very low	72 Å²	72	81 Å²	81	47%	0.468	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	142.9	171.6	-23.6	34.3	0	0	0	111.7	C198 Y203	C198-P200 WeakPolarHBondContact O-CD 3.4Å; P200-Y203 HydrophobicContact CB-CD2 4.35Å; P200-Y203 HydrophobicContact CB-CE2 3.89Å; P200-Y203 HydrophobicContact CG-CE2 3.77Å
201	P	37.5	Very low	40.3	Very low	128 Å²	128	82.4 Å²	82.4	83%	0.831	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	cis	-92.3	15.4	19.1	35.6	-33.8	0	0	0	115.1	Y203	P201-Y203 PolarHBondContact O-N 3.37Å
202	L	32.7	Very low	40.5	Very low	94 Å²	94	82 Å²	82	49%	0.492	44%	0.443	S	S	.	.			trans	-73.4	68.4	174.1	-65.9	161.9	0	0	0	111.2	E199	E199-L202 WeakPolarHBondContact O-CB 3.29Å; E199-L202 PolarHBondContact O-N 3.22Å; E199-L202 VanDerWaalsContact O-N 3.08Å
203	Y	31.9	Very low	41	Very low	184 Å²	184	84.9 Å²	84.9	72%	0.722	45%	0.453	S	S	*	.			trans	-86.8	31.9	154.1	-72.1	-75.5	0	0	0	110.2	P200 P201	P200-Y203 HydrophobicContact CB-CD2 4.35Å; P200-Y203 HydrophobicContact CB-CE2 3.89Å; P200-Y203 HydrophobicContact CG-CE2 3.77Å; P201-Y203 PolarHBondContact O-N 3.37Å
204	E	35	Very low	41.5	Very low	151 Å²	151	85.1 Å²	85.1	71%	0.706	45%	0.452	S	S	*	.	S	Bend	trans	-72.9	139.6	166.6	-70.4	-169.5	171.4	0	0	108.2	T206	E204-T206 PolarHBondContact O-N 3.07Å
205	A	37.5	Very low	41.6	Very low	101 Å²	101	85.8 Å²	85.8	84%	0.835	46%	0.456	S	S	*	.			trans	-50.1	119.9	173.9	0	0	0	0	0	108.3	D207	A205-D207 PolarHBondContact O-N 3.09Å
206	T	42.8	Very low	41.9	Very low	55 Å²	55	86.7 Å²	86.7	34%	0.337	46%	0.456	S	S	.	.			trans	-61.1	103.1	178.4	-51.8	0	0	0	0	108.1	E204 W208 I211	E204-T206 PolarHBondContact O-N 3.07Å; T206-W208 VanDerWaalsContact C-N 3.28Å; T206-W208 HydrophobicContact CG2-CD2 4.15Å; T206-W208 HydrophobicContact CG2-CZ2 4.37Å; T206-W208 PolarHBondContact O-N 3.04Å; T206-I211 HydrophobicContact CG2-CD1 3.23Å
207	D	48.8	Very low	42.5	Very low	87 Å²	87	90.1 Å²	90.1	47%	0.465	47%	0.47	S	S	.	.			trans	-71.6	90.4	172.9	-174.3	-14.9	0	0	0	108.1	A205 E209 K210 I211	A205-D207 PolarHBondContact O-N 3.09Å; D207-E209 PolarHBondContact O-N 3.03Å; D207-E209 WeakPolarHBondContact OD1-CB 3.39Å; D207-E209 PolarHBondContact OD1-N 3.4Å; D207-K210 HydrophobicContact CB-CB 3.84Å; D207-K210 VanDerWaalsContact CG-CB 3.43Å; D207-K210 PolarHBondContact O-N 2.68Å; D207-K210 PolarHBondContact OD1-N 2.88Å; D207-I211 WeakPolarHBondContact O-CG1 3.29Å; D207-I211 PolarHBondContact O-N 3.45Å
208	W	47.5	Very low	42.9	Very low	83 Å²	83	96.8 Å²	96.8	31%	0.314	48%	0.484	S	S	.	.	H	α-helix	trans	-60.6	-34.3	-177.9	-70.4	100.7	0	0	0	112.2	T206 I211 C212 L235	T206-W208 VanDerWaalsContact C-N 3.28Å; T206-W208 HydrophobicContact CG2-CD2 4.15Å; T206-W208 HydrophobicContact CG2-CZ2 4.37Å; T206-W208 PolarHBondContact O-N 3.04Å; W208-I211 PolarHBondContact O-N 3.35Å; W208-C212 WeakPolarHBondContact O-CB 3.25Å; W208-C212 PolarHBondContact O-N 2.78Å; W208-C212 PolarHBondContact O-SG 2.88Å; W208-L235 HydrophobicContact CE3-CD2 4.41Å; W208-L235 HydrophobicContact CH2-CB 3.87Å; W208-L235 HydrophobicContact CH2-CD2 3.07Å; W208-L235 HydrophobicContact CH2-CG 3.82Å; W208-L235 HydrophobicContact CZ2-CD2 4.08Å; W208-L235 HydrophobicContact CZ3-CB 4.21Å; W208-L235 HydrophobicContact CZ3-CD2 3.26Å; W208-L235 HydrophobicContact CZ3-CG 4.26Å
209	E	48.6	Very low	43.1	Very low	144 Å²	144	97.4 Å²	97.4	67%	0.673	49%	0.487	S	S	*	.	H	α-helix	trans	-64.1	-50.9	176.9	-169.1	165.5	-158	0	0	109	D207 I211 C212 E213	D207-E209 PolarHBondContact O-N 3.03Å; D207-E209 WeakPolarHBondContact OD1-CB 3.39Å; D207-E209 PolarHBondContact OD1-N 3.4Å; E209-I211 VanDerWaalsContact C-N 3.32Å; E209-I211 PolarHBondContact O-N 3Å; E209-C212 CarbonylContact O-C 3.58Å; E209-C212 WeakPolarHBondContact O-CB 3.33Å; E209-C212 PolarHBondContact O-N 2.78Å; E209-C212 VanDerWaalsContact O-N 3.09Å; E209-E213 WeakPolarHBondContact O-CG 3.28Å; E209-E213 PolarHBondContact O-N 3.08Å
210	K	52.3	Low	43.5	Very low	127 Å²	127	100 Å²	100	55%	0.552	50%	0.504	S	S	*	.	H	α-helix	trans	-60.6	-36.4	175.7	-172	175.2	-175.4	177.3	0	113.9	D207 T214	D207-K210 HydrophobicContact CB-CB 3.84Å; D207-K210 VanDerWaalsContact CG-CB 3.43Å; D207-K210 PolarHBondContact O-N 2.68Å; D207-K210 PolarHBondContact OD1-N 2.88Å; K210-T214 VanDerWaalsContact O-CB 3.27Å; K210-T214 WeakPolarHBondContact O-CB 3.42Å; K210-T214 PolarHBondContact O-N 3Å; K210-T214 PolarHBondContact O-OG1 3.33Å
211	I	47.6	Very low	43.6	Very low	35 Å²	35	99.8 Å²	99.8	18%	0.179	50%	0.502	C	S	.	.	H	α-helix	trans	-67.4	-43.3	174.7	-73	176	0	0	0	110.7	L194 T206 D207 W208 E209 T214 L215	L194-I211 HydrophobicContact CD2-CD1 3.77Å; L194-I211 HydrophobicContact CD2-CG1 4.39Å; L194-I211 HydrophobicContact CD2-CG2 3.58Å; T206-I211 HydrophobicContact CG2-CD1 3.23Å; D207-I211 WeakPolarHBondContact O-CG1 3.29Å; D207-I211 PolarHBondContact O-N 3.45Å; W208-I211 PolarHBondContact O-N 3.35Å; E209-I211 VanDerWaalsContact C-N 3.32Å; E209-I211 PolarHBondContact O-N 3Å; I211-T214 PolarHBondContact O-N 2.78Å; I211-L215 HydrophobicContact CG2-CD1 3.93Å; I211-L215 HydrophobicContact CG2-CG 4.37Å; I211-L215 WeakPolarHBondContact O-CB 3.44Å; I211-L215 VanDerWaalsContact O-CG 3.25Å; I211-L215 WeakPolarHBondContact O-CG 3.27Å; I211-L215 PolarHBondContact O-N 3.34Å
212	C	47.7	Very low	43.9	Very low	22 Å²	22	102.5 Å²	102.5	15%	0.149	50%	0.504	C	S	.	.	H	α-helix	trans	-63.7	-44.1	176.2	-67.1	0	0	0	0	110.8	W208 E209 L215 Q216 L228	W208-C212 WeakPolarHBondContact O-CB 3.25Å; W208-C212 PolarHBondContact O-N 2.78Å; W208-C212 PolarHBondContact O-SG 2.88Å; E209-C212 CarbonylContact O-C 3.58Å; E209-C212 WeakPolarHBondContact O-CB 3.33Å; E209-C212 PolarHBondContact O-N 2.78Å; E209-C212 VanDerWaalsContact O-N 3.09Å; C212-L215 PolarHBondContact O-N 2.82Å; C212-Q216 WeakPolarHBondContact O-CB 3.39Å; C212-Q216 VanDerWaalsContact O-CG 3.28Å; C212-Q216 WeakPolarHBondContact O-CG 3.35Å; C212-Q216 PolarHBondContact O-N 2.83Å; C212-L228 HydrophobicContact CB-CD1 4.24Å; C212-L228 HydrophobicContact CB-CD2 4.31Å; C212-L228 VanDerWaalsContact SG-CD2 3.52Å
213	E	51.7	Low	44.5	Very low	99 Å²	99	99.3 Å²	99.3	46%	0.463	49%	0.486	S	S	.	.	H	α-helix	trans	-58.4	-49.8	172.9	-72.4	176.8	166.9	0	0	111	E209 L215 Q216 E217	E209-E213 WeakPolarHBondContact O-CG 3.28Å; E209-E213 PolarHBondContact O-N 3.08Å; E213-L215 VanDerWaalsContact C-N 3.3Å; E213-L215 PolarHBondContact O-N 2.91Å; E213-Q216 PolarHBondContact O-N 3.37Å; E213-E217 WeakPolarHBondContact O-CB 3.41Å; E213-E217 WeakPolarHBondContact O-CG 3.43Å; E213-E217 PolarHBondContact O-N 2.99Å
214	T	47.8	Very low	44.9	Very low	46 Å²	46	97.9 Å²	97.9	28%	0.282	48%	0.483	S	S	.	.	H	α-helix	trans	-60.3	-40.2	177.9	-58.3	0	0	0	0	111.5	K210 I211 R218	K210-T214 VanDerWaalsContact O-CB 3.27Å; K210-T214 WeakPolarHBondContact O-CB 3.42Å; K210-T214 PolarHBondContact O-N 3Å; K210-T214 PolarHBondContact O-OG1 3.33Å; I211-T214 PolarHBondContact O-N 2.78Å; T214-R218 HydrophobicContact CG2-CG 4.29Å; T214-R218 VanDerWaalsContact O-CB 3.29Å; T214-R218 WeakPolarHBondContact O-CB 3.49Å; T214-R218 VanDerWaalsContact O-CG 3.29Å; T214-R218 WeakPolarHBondContact O-CG 3.12Å; T214-R218 PolarHBondContact O-N 3.17Å
215	L	43	Very low	45.1	Very low	27 Å²	27	97.3 Å²	97.3	14%	0.141	49%	0.493	C	S	.	.	H	α-helix	trans	-67	-43.3	176.4	-77.1	171.1	0	0	0	111.1	V190 I211 C212 E213 T219 F223 L231	V190-L215 HydrophobicContact CG1-CD1 4.31Å; V190-L215 HydrophobicContact CG1-CD2 4.33Å; V190-L215 HydrophobicContact CG2-CD2 4.18Å; I211-L215 HydrophobicContact CG2-CD1 3.93Å; I211-L215 HydrophobicContact CG2-CG 4.37Å; I211-L215 WeakPolarHBondContact O-CB 3.44Å; I211-L215 VanDerWaalsContact O-CG 3.25Å; I211-L215 WeakPolarHBondContact O-CG 3.27Å; I211-L215 PolarHBondContact O-N 3.34Å; C212-L215 PolarHBondContact O-N 2.82Å; E213-L215 VanDerWaalsContact C-N 3.3Å; E213-L215 PolarHBondContact O-N 2.91Å; L215-T219 VanDerWaalsContact O-CB 3.27Å; L215-T219 WeakPolarHBondContact O-CB 3.19Å; L215-T219 WeakPolarHBondContact O-CG2 3.27Å; L215-T219 PolarHBondContact O-N 3.29Å; L215-T219 PolarHBondContact O-OG1 2.84Å; L215-F223 HydrophobicContact CB-CE2 3.79Å; L215-F223 HydrophobicContact CB-CZ 4.02Å; L215-L231 HydrophobicContact CD1-CD2 4.06Å
216	Q	46.9	Very low	45.1	Very low	78 Å²	78	94.4 Å²	94.4	36%	0.364	47%	0.472	S	S	.	.	H	α-helix	trans	-62.4	-45.6	175.1	-73.9	178.2	-6	0	0	111	C212 E213 N220 T221 F223	C212-Q216 WeakPolarHBondContact O-CB 3.39Å; C212-Q216 VanDerWaalsContact O-CG 3.28Å; C212-Q216 WeakPolarHBondContact O-CG 3.35Å; C212-Q216 PolarHBondContact O-N 2.83Å; E213-Q216 PolarHBondContact O-N 3.37Å; Q216-N220 WeakPolarHBondContact O-CA 3.49Å; Q216-N220 PolarHBondContact O-N 2.59Å; Q216-T221 WeakPolarHBondContact CG-O 3.27Å; Q216-F223 HydrophobicContact CG-CD2 3.52Å; Q216-F223 HydrophobicContact CG-CE2 3.69Å
217	E	49.8	Very low	45.1	Very low	157 Å²	157	95.6 Å²	95.6	73%	0.734	47%	0.471	S	S	*	.	H	α-helix	trans	-62.7	-47.3	178.1	-77.2	-174.9	167.3	0	0	112.3	E213	E213-E217 WeakPolarHBondContact O-CB 3.41Å; E213-E217 WeakPolarHBondContact O-CG 3.43Å; E213-E217 PolarHBondContact O-N 2.99Å
218	R	41.9	Very low	44.7	Very low	216 Å²	216	94 Å²	94	82%	0.815	46%	0.462	S	S	*	.	H	α-helix	trans	-75.2	-33.1	-175.5	-73.2	-175.4	178.9	-165.3	0.9	113.5	T214	T214-R218 HydrophobicContact CG2-CG 4.29Å; T214-R218 VanDerWaalsContact O-CB 3.29Å; T214-R218 WeakPolarHBondContact O-CB 3.49Å; T214-R218 VanDerWaalsContact O-CG 3.29Å; T214-R218 WeakPolarHBondContact O-CG 3.12Å; T214-R218 PolarHBondContact O-N 3.17Å
219	T	41.7	Very low	44.5	Very low	40 Å²	40	94 Å²	94	25%	0.245	47%	0.468	C	S	.	.	H	α-helix	trans	-96.7	-11.5	-177.6	68.2	0	0	0	0	112.3	F186 L215 T221	F186-T219 HydrophobicContact CE2-CG2 4.18Å; F186-T219 HydrophobicContact CZ-CG2 3.55Å; L215-T219 VanDerWaalsContact O-CB 3.27Å; L215-T219 WeakPolarHBondContact O-CB 3.19Å; L215-T219 WeakPolarHBondContact O-CG2 3.27Å; L215-T219 PolarHBondContact O-N 3.29Å; L215-T219 PolarHBondContact O-OG1 2.84Å; T219-T221 PolarHBondContact O-N 3.15Å; T219-T221 VanDerWaalsContact O-N 3.15Å; T219-T221 PolarHBondContact O-OG1 3.23Å; T219-T221 VanDerWaalsContact O-OG1 3.09Å; T219-T221 WeakPolarHBondContact OG1-CB 3.25Å; T219-T221 PolarHBondContact OG1-N 3.27Å; T219-T221 PolarHBondContact OG1-OG1 3.45Å
220	N	41.1	Very low	44.2	Very low	153 Å²	153	89.6 Å²	89.6	82%	0.818	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	33.8	-169.3	-163.3	41.2	0	0	0	112.3	Q216	Q216-N220 WeakPolarHBondContact O-CA 3.49Å; Q216-N220 PolarHBondContact O-N 2.59Å
221	T	41.3	Very low	43.9	Very low	69 Å²	69	84.4 Å²	84.4	42%	0.423	44%	0.435	S	S	.	.			trans	-110.5	122.9	-175	-56.7	0	0	0	0	110.2	Q216 T219 F223	Q216-T221 WeakPolarHBondContact CG-O 3.27Å; T219-T221 PolarHBondContact O-N 3.15Å; T219-T221 VanDerWaalsContact O-N 3.15Å; T219-T221 PolarHBondContact O-OG1 3.23Å; T219-T221 VanDerWaalsContact O-OG1 3.09Å; T219-T221 WeakPolarHBondContact OG1-CB 3.25Å; T219-T221 PolarHBondContact OG1-N 3.27Å; T219-T221 PolarHBondContact OG1-OG1 3.45Å; T221-F223 HydrophobicContact CG2-CD1 4.47Å; T221-F223 HydrophobicContact CG2-CE1 4.31Å; T221-F223 PolarHBondContact O-N 3.12Å
222	E	44.5	Very low	43.7	Very low	185 Å²	185	84 Å²	84	86%	0.864	44%	0.436	S	S	*	.			trans	-80.6	112	172.5	-156.4	178.6	-163.8	0	0	109.4
223	F	44.8	Very low	43.5	Very low	26 Å²	26	85.3 Å²	85.3	11%	0.114	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-79.6	129.1	-178.3	-63	-70.1	0	0	0	111.3	L215 Q216 T221 Y227 L228	L215-F223 HydrophobicContact CB-CE2 3.79Å; L215-F223 HydrophobicContact CB-CZ 4.02Å; Q216-F223 HydrophobicContact CG-CD2 3.52Å; Q216-F223 HydrophobicContact CG-CE2 3.69Å; T221-F223 HydrophobicContact CG2-CD1 4.47Å; T221-F223 HydrophobicContact CG2-CE1 4.31Å; T221-F223 PolarHBondContact O-N 3.12Å; F223-Y227 HydrophobicContact CB-CD1 4.13Å; F223-Y227 AromaticContact CD1-CD1 3.26Å; F223-Y227 HydrophobicContact CD1-CD1 3.26Å; F223-Y227 AromaticContact CD1-CE1 3.29Å; F223-Y227 HydrophobicContact CD1-CE1 3.29Å; F223-Y227 HydrophobicContact CD1-CG 4.28Å; F223-Y227 AromaticContact CE1-CD1 3.94Å; F223-Y227 HydrophobicContact CE1-CD1 3.94Å; F223-Y227 AromaticContact CE1-CE1 3.44Å; F223-Y227 HydrophobicContact CE1-CE1 3.44Å; F223-Y227 VanDerWaalsContact CE1-CE1 3.44Å; F223-Y227 AromaticContact CG-CD1 3.97Å; F223-Y227 HydrophobicContact CG-CD1 3.97Å; F223-Y227 HydrophobicContact CG-CE1 4.33Å; F223-L228 HydrophobicContact CB-CD2 4.1Å; F223-L228 HydrophobicContact CB-CG 4.19Å; F223-L228 HydrophobicContact CD2-CD2 4.05Å; F223-L228 HydrophobicContact CG-CD2 4.07Å
224	K	40.5	Very low	43.3	Very low	155 Å²	155	84.5 Å²	84.5	67%	0.674	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-63.2	144	175.4	-68.1	-175.3	-179.6	-180	0	111.1	G226 Y227	K224-G226 PolarHBondContact O-N 2.79Å; K224-Y227 VanDerWaalsContact O-CB 3.31Å; K224-Y227 WeakPolarHBondContact O-CB 2.92Å; K224-Y227 PolarHBondContact O-N 2.76Å
225	P	38.3	Very low	43.2	Very low	139 Å²	139	82.4 Å²	82.4	90%	0.903	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	126.4	170.3	-25.5	33.9	0	0	0	111.1
226	G	38.9	Very low	43.2	Very low	39 Å²	39	85.6 Å²	85.6	40%	0.402	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.7	-24.6	-175.1	0	0	0	0	0	115.4	K224 L228 N229 A230	K224-G226 PolarHBondContact O-N 2.79Å; G226-L228 VanDerWaalsContact C-N 3.32Å; G226-N229 WeakPolarHBondContact O-CB 3.47Å; G226-N229 PolarHBondContact O-N 2.76Å; G226-N229 VanDerWaalsContact O-N 3.16Å; G226-A230 PolarHBondContact O-N 3.44Å
227	Y	41.7	Very low	43.2	Very low	81 Å²	81	84.7 Å²	84.7	32%	0.318	44%	0.435	S	S	.	.	H	α-helix	trans	-63.8	-41	171.8	-177.8	-93.8	0	0	0	110.8	D187 F223 K224 N229 A230 L231	D187-Y227 PolarHBondContact OD1-OH 3.37Å; F223-Y227 HydrophobicContact CB-CD1 4.13Å; F223-Y227 AromaticContact CD1-CD1 3.26Å; F223-Y227 HydrophobicContact CD1-CD1 3.26Å; F223-Y227 AromaticContact CD1-CE1 3.29Å; F223-Y227 HydrophobicContact CD1-CE1 3.29Å; F223-Y227 HydrophobicContact CD1-CG 4.28Å; F223-Y227 AromaticContact CE1-CD1 3.94Å; F223-Y227 HydrophobicContact CE1-CD1 3.94Å; F223-Y227 AromaticContact CE1-CE1 3.44Å; F223-Y227 HydrophobicContact CE1-CE1 3.44Å; F223-Y227 VanDerWaalsContact CE1-CE1 3.44Å; F223-Y227 AromaticContact CG-CD1 3.97Å; F223-Y227 HydrophobicContact CG-CD1 3.97Å; F223-Y227 HydrophobicContact CG-CE1 4.33Å; K224-Y227 VanDerWaalsContact O-CB 3.31Å; K224-Y227 WeakPolarHBondContact O-CB 2.92Å; K224-Y227 PolarHBondContact O-N 2.76Å; Y227-N229 VanDerWaalsContact C-N 3.27Å; Y227-N229 PolarHBondContact O-N 3.38Å; Y227-A230 PolarHBondContact O-N 3.18Å; Y227-A230 VanDerWaalsContact O-N 3.16Å; Y227-L231 HydrophobicContact CE1-CD2 4.46Å; Y227-L231 WeakPolarHBondContact O-CB 3.5Å; Y227-L231 PolarHBondContact O-N 2.8Å
228	L	41	Very low	42.9	Very low	54 Å²	54	77.7 Å²	77.7	28%	0.283	41%	0.405	S	S	.	.	H	α-helix	trans	-63.6	-31.7	173.9	-63.8	-179.9	0	0	0	112.6	C212 F223 G226 S232	C212-L228 HydrophobicContact CB-CD1 4.24Å; C212-L228 HydrophobicContact CB-CD2 4.31Å; C212-L228 VanDerWaalsContact SG-CD2 3.52Å; F223-L228 HydrophobicContact CB-CD2 4.1Å; F223-L228 HydrophobicContact CB-CG 4.19Å; F223-L228 HydrophobicContact CD2-CD2 4.05Å; F223-L228 HydrophobicContact CG-CD2 4.07Å; G226-L228 VanDerWaalsContact C-N 3.32Å; L228-S232 WeakPolarHBondContact O-CB 3.07Å; L228-S232 PolarHBondContact O-N 3.44Å
229	N	43.4	Very low	42.9	Very low	81 Å²	81	70.1 Å²	70.1	43%	0.433	38%	0.382	S	S	.	.	H	α-helix	trans	-68.9	-42.6	172.8	-72.2	-19	0	0	0	111.3	G226 Y227 S232 C233	G226-N229 WeakPolarHBondContact O-CB 3.47Å; G226-N229 PolarHBondContact O-N 2.76Å; G226-N229 VanDerWaalsContact O-N 3.16Å; Y227-N229 VanDerWaalsContact C-N 3.27Å; Y227-N229 PolarHBondContact O-N 3.38Å; N229-S232 PolarHBondContact O-N 2.85Å; N229-C233 WeakPolarHBondContact O-CB 3.47Å; N229-C233 PolarHBondContact O-N 3.43Å; N229-C233 PolarHBondContact O-SG 3.21Å
230	A	43.1	Very low	42.9	Very low	53 Å²	53	72 Å²	72	44%	0.438	39%	0.391	S	S	.	.	H	α-helix	trans	-63.3	-46.6	175.6	0	0	0	0	0	111.3	G226 Y227 C233 E234	G226-A230 PolarHBondContact O-N 3.44Å; Y227-A230 PolarHBondContact O-N 3.18Å; Y227-A230 VanDerWaalsContact O-N 3.16Å; A230-C233 WeakPolarHBondContact O-CB 3.19Å; A230-C233 PolarHBondContact O-N 2.84Å; A230-E234 WeakPolarHBondContact O-CG 3.31Å; A230-E234 PolarHBondContact O-N 3.18Å
231	L	44.4	Very low	43.1	Very low	18 Å²	18	68.2 Å²	68.2	9%	0.094	37%	0.368	C	S	.	.	H	α-helix	trans	-63.9	-40.6	176.3	-172.5	68.4	0	0	0	111.6	V190 L215 Y227 C233 E234 L235	V190-L231 HydrophobicContact CG1-CD1 4.01Å; V190-L231 HydrophobicContact CG1-CD2 4.27Å; L215-L231 HydrophobicContact CD1-CD2 4.06Å; Y227-L231 HydrophobicContact CE1-CD2 4.46Å; Y227-L231 WeakPolarHBondContact O-CB 3.5Å; Y227-L231 PolarHBondContact O-N 2.8Å; L231-C233 VanDerWaalsContact C-N 3.34Å; L231-E234 PolarHBondContact O-N 3.16Å; L231-L235 VanDerWaalsContact O-CB 3.27Å; L231-L235 WeakPolarHBondContact O-CB 3.2Å; L231-L235 PolarHBondContact O-N 2.94Å
232	S	43.6	Very low	43.1	Very low	27 Å²	27	65.9 Å²	65.9	19%	0.189	36%	0.358	C	S	.	.	H	α-helix	trans	-63.9	-39.6	174.1	-175.7	0	0	0	0	111.3	L228 N229 L235 Q236	L228-S232 WeakPolarHBondContact O-CB 3.07Å; L228-S232 PolarHBondContact O-N 3.44Å; N229-S232 PolarHBondContact O-N 2.85Å; S232-L235 PolarHBondContact O-N 3.37Å; S232-Q236 WeakPolarHBondContact O-CB 3.2Å; S232-Q236 WeakPolarHBondContact O-CG 3.31Å; S232-Q236 PolarHBondContact O-N 3.2Å
233	C	44.6	Very low	43	Very low	49 Å²	49	62.7 Å²	62.7	33%	0.331	34%	0.339	S	S	.	.	H	α-helix	trans	-64.9	-50.2	174.2	-70.6	0	0	0	0	111.3	N229 A230 L231 L235 Q236 Y237	N229-C233 WeakPolarHBondContact O-CB 3.47Å; N229-C233 PolarHBondContact O-N 3.43Å; N229-C233 PolarHBondContact O-SG 3.21Å; A230-C233 WeakPolarHBondContact O-CB 3.19Å; A230-C233 PolarHBondContact O-N 2.84Å; L231-C233 VanDerWaalsContact C-N 3.34Å; C233-L235 VanDerWaalsContact C-N 3.28Å; C233-L235 PolarHBondContact O-N 2.96Å; C233-Q236 WeakPolarHBondContact O-CB 3.18Å; C233-Q236 PolarHBondContact O-N 3.1Å; C233-Y237 HydrophobicContact CB-CE2 4.12Å; C233-Y237 WeakPolarHBondContact O-CD2 3.32Å; C233-Y237 VanDerWaalsContact O-CG 3.32Å; C233-Y237 PolarHBondContact O-N 2.9Å
234	E	47.1	Very low	42.9	Very low	81 Å²	81	62.3 Å²	62.3	38%	0.379	34%	0.338	S	S	.	.	H	α-helix	trans	-61.9	-34.2	176.3	-68.1	-63.1	153	0	0	111.8	A230 L231 Y237 G238 K272	A230-E234 WeakPolarHBondContact O-CG 3.31Å; A230-E234 PolarHBondContact O-N 3.18Å; L231-E234 PolarHBondContact O-N 3.16Å; E234-Y237 CarbonylContact O-C 3.45Å; E234-Y237 WeakPolarHBondContact O-CB 3.12Å; E234-Y237 PolarHBondContact O-N 3.01Å; E234-G238 PolarHBondContact O-N 3.24Å; E234-K272 IonicContact OE1-NZ 3.63Å; E234-K272 IonicContact OE2-NZ 3.11Å
235	L	44.8	Very low	43	Very low	3 Å²	3	57.5 Å²	57.5	2%	0.016	32%	0.321	C	S	.	.	H	α-helix	trans	-73.6	-39.7	173.9	-169.8	70.5	0	0	0	112.1	L191 L194 W208 L231 S232 C233 Y237 G238 V239	L191-L235 HydrophobicContact CD2-CB 4.21Å; L191-L235 HydrophobicContact CD2-CD1 3.75Å; L194-L235 HydrophobicContact CB-CD1 3.41Å; L194-L235 VanDerWaalsContact CB-CD1 3.41Å; L194-L235 HydrophobicContact CB-CD2 3.98Å; L194-L235 HydrophobicContact CB-CG 4.39Å; L194-L235 HydrophobicContact CD1-CD1 3.68Å; L194-L235 HydrophobicContact CD1-CD2 3.71Å; L194-L235 HydrophobicContact CD1-CG 4.24Å; L194-L235 HydrophobicContact CD2-CD2 4.31Å; L194-L235 HydrophobicContact CG-CD1 4.16Å; L194-L235 HydrophobicContact CG-CD2 4.22Å; W208-L235 HydrophobicContact CE3-CD2 4.41Å; W208-L235 HydrophobicContact CH2-CB 3.87Å; W208-L235 HydrophobicContact CH2-CD2 3.07Å; W208-L235 HydrophobicContact CH2-CG 3.82Å; W208-L235 HydrophobicContact CZ2-CD2 4.08Å; W208-L235 HydrophobicContact CZ3-CB 4.21Å; W208-L235 HydrophobicContact CZ3-CD2 3.26Å; W208-L235 HydrophobicContact CZ3-CG 4.26Å; L231-L235 VanDerWaalsContact O-CB 3.27Å; L231-L235 WeakPolarHBondContact O-CB 3.2Å; L231-L235 PolarHBondContact O-N 2.94Å; S232-L235 PolarHBondContact O-N 3.37Å; C233-L235 VanDerWaalsContact C-N 3.28Å; C233-L235 PolarHBondContact O-N 2.96Å; L235-Y237 PolarHBondContact O-N 2.86Å; L235-G238 PolarHBondContact O-N 3.05Å; L235-V239 HydrophobicContact CG-CG2 4.25Å; L235-V239 WeakPolarHBondContact O-CB 3.41Å; L235-V239 VanDerWaalsContact O-CG2 3.27Å; L235-V239 WeakPolarHBondContact O-CG2 3.39Å; L235-V239 PolarHBondContact O-N 3.07Å
236	Q	43.1	Very low	43.1	Very low	93 Å²	93	54.9 Å²	54.9	44%	0.435	29%	0.293	S	S	.	.	H	α-helix	trans	-58	-40.2	170.4	-76.3	173.7	12.8	0	0	110.5	S232 C233 L240	S232-Q236 WeakPolarHBondContact O-CB 3.2Å; S232-Q236 WeakPolarHBondContact O-CG 3.31Å; S232-Q236 PolarHBondContact O-N 3.2Å; C233-Q236 WeakPolarHBondContact O-CB 3.18Å; C233-Q236 PolarHBondContact O-N 3.1Å; Q236-L240 VanDerWaalsContact O-CB 3.25Å; Q236-L240 WeakPolarHBondContact O-CB 3.45Å; Q236-L240 PolarHBondContact O-N 3.28Å
237	Y	46.7	Very low	43.2	Very low	60 Å²	60	57.5 Å²	57.5	24%	0.235	30%	0.297	C	S	.	.	H	α-helix	trans	-65.2	-46.8	172.6	-66.6	-53.9	0	0	0	111.6	C233 E234 L235 V239 L240 E241	C233-Y237 HydrophobicContact CB-CE2 4.12Å; C233-Y237 WeakPolarHBondContact O-CD2 3.32Å; C233-Y237 VanDerWaalsContact O-CG 3.32Å; C233-Y237 PolarHBondContact O-N 2.9Å; E234-Y237 CarbonylContact O-C 3.45Å; E234-Y237 WeakPolarHBondContact O-CB 3.12Å; E234-Y237 PolarHBondContact O-N 3.01Å; L235-Y237 PolarHBondContact O-N 2.86Å; Y237-V239 PolarHBondContact O-N 3.12Å; Y237-L240 CarbonylContact O-C 3.47Å; Y237-L240 WeakPolarHBondContact O-CB 3.43Å; Y237-L240 PolarHBondContact O-N 3.24Å; Y237-E241 WeakPolarHBondContact O-CB 3.22Å; Y237-E241 VanDerWaalsContact O-CG 3.23Å; Y237-E241 WeakPolarHBondContact O-CG 3.4Å; Y237-E241 PolarHBondContact O-N 3.47Å
238	G	44.7	Very low	43	Very low	9 Å²	9	56.5 Å²	56.5	9%	0.093	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-37.5	178	0	0	0	0	0	113.6	E234 L235 G242	E234-G238 PolarHBondContact O-N 3.24Å; L235-G238 PolarHBondContact O-N 3.05Å; G238-G242 PolarHBondContact O-N 3.04Å
239	V	41.9	Very low	42.8	Very low	57 Å²	57	59.7 Å²	59.7	35%	0.345	31%	0.31	S	S	.	.	H	α-helix	trans	-68.1	-41	173.2	171.2	0	0	0	0	110.5	L235 Y237 G242 Y243	L235-V239 HydrophobicContact CG-CG2 4.25Å; L235-V239 WeakPolarHBondContact O-CB 3.41Å; L235-V239 VanDerWaalsContact O-CG2 3.27Å; L235-V239 WeakPolarHBondContact O-CG2 3.39Å; L235-V239 PolarHBondContact O-N 3.07Å; Y237-V239 PolarHBondContact O-N 3.12Å; V239-G242 PolarHBondContact O-N 2.86Å; V239-Y243 WeakPolarHBondContact O-CB 3.47Å; V239-Y243 PolarHBondContact O-N 3.38Å
240	L	42.3	Very low	42.5	Very low	80 Å²	80	64.5 Å²	64.5	42%	0.419	33%	0.327	S	S	.	.	H	α-helix	trans	-64.7	-45.4	174.8	-171.9	74.1	0	0	0	111.3	Q236 Y237 Y243 I244	Q236-L240 VanDerWaalsContact O-CB 3.25Å; Q236-L240 WeakPolarHBondContact O-CB 3.45Å; Q236-L240 PolarHBondContact O-N 3.28Å; Y237-L240 CarbonylContact O-C 3.47Å; Y237-L240 WeakPolarHBondContact O-CB 3.43Å; Y237-L240 PolarHBondContact O-N 3.24Å; L240-Y243 WeakPolarHBondContact O-CB 3.49Å; L240-Y243 PolarHBondContact O-N 3.44Å; L240-Y243 VanDerWaalsContact O-N 3.14Å; L240-I244 HydrophobicContact CG-CD1 4.11Å; L240-I244 WeakPolarHBondContact O-CD1 3.4Å; L240-I244 VanDerWaalsContact O-CG1 3.27Å; L240-I244 WeakPolarHBondContact O-CG1 3.42Å; L240-I244 PolarHBondContact O-N 3.19Å
241	E	44.4	Very low	42.3	Very low	73 Å²	73	65.3 Å²	65.3	34%	0.341	33%	0.334	S	S	.	.	H	α-helix	trans	-56.2	-49.8	172.5	-76.4	175.6	-176.1	0	0	110.4	Y237 Y243 I244 V245 I268	Y237-E241 WeakPolarHBondContact O-CB 3.22Å; Y237-E241 VanDerWaalsContact O-CG 3.23Å; Y237-E241 WeakPolarHBondContact O-CG 3.4Å; Y237-E241 PolarHBondContact O-N 3.47Å; E241-Y243 VanDerWaalsContact C-N 3.28Å; E241-Y243 PolarHBondContact O-N 3.07Å; E241-I244 PolarHBondContact O-N 3.43Å; E241-V245 WeakPolarHBondContact O-CB 3.31Å; E241-V245 VanDerWaalsContact O-CG2 3.29Å; E241-V245 WeakPolarHBondContact O-CG2 3.33Å; E241-V245 PolarHBondContact O-N 2.87Å; E241-I268 HydrophobicContact CG-CG2 3.72Å
242	G	42	Very low	42	Very low	20 Å²	20	71.9 Å²	71.9	21%	0.206	37%	0.369	C	S	.	.	H	α-helix	trans	-62.5	-32.3	175.6	0	0	0	0	0	113.3	G238 V239 R246	G238-G242 PolarHBondContact O-N 3.04Å; V239-G242 PolarHBondContact O-N 2.86Å; G242-R246 VanDerWaalsContact O-CB 3.25Å; G242-R246 WeakPolarHBondContact O-CB 3.4Å; G242-R246 VanDerWaalsContact O-CG 3.28Å; G242-R246 WeakPolarHBondContact O-CG 3.48Å; G242-R246 PolarHBondContact O-N 2.96Å; G242-R246 PolarHBondContact O-NE 3.31Å
243	Y	41.4	Very low	41.8	Very low	119 Å²	119	76.1 Å²	76.1	47%	0.467	38%	0.384	S	S	.	.	H	α-helix	trans	-71.7	-40.3	173.3	-172.7	-99.5	0	0	0	111.9	V239 L240 E241 R246 L247	V239-Y243 WeakPolarHBondContact O-CB 3.47Å; V239-Y243 PolarHBondContact O-N 3.38Å; L240-Y243 WeakPolarHBondContact O-CB 3.49Å; L240-Y243 PolarHBondContact O-N 3.44Å; L240-Y243 VanDerWaalsContact O-N 3.14Å; E241-Y243 VanDerWaalsContact C-N 3.28Å; E241-Y243 PolarHBondContact O-N 3.07Å; Y243-R246 CarbonylContact O-C 3.5Å; Y243-R246 WeakPolarHBondContact O-CA 3.45Å; Y243-R246 WeakPolarHBondContact O-CB 3.43Å; Y243-R246 PolarHBondContact O-N 3.12Å; Y243-L247 HydrophobicContact CD1-CD1 3.81Å; Y243-L247 HydrophobicContact CD1-CG 4.1Å; Y243-L247 HydrophobicContact CE1-CD1 3.54Å; Y243-L247 HydrophobicContact CE1-CD2 4.2Å; Y243-L247 HydrophobicContact CE1-CG 3.81Å; Y243-L247 WeakPolarHBondContact O-CG 3.44Å; Y243-L247 PolarHBondContact O-N 2.97Å
244	I	43	Very low	41.5	Very low	18 Å²	18	77.8 Å²	77.8	9%	0.092	40%	0.402	C	S	.	.	H	α-helix	trans	-65.9	-47.4	175.7	-68.2	159	0	0	0	110.4	L240 E241 R246 L247 H248 L264 I268 L271	L240-I244 HydrophobicContact CG-CD1 4.11Å; L240-I244 WeakPolarHBondContact O-CD1 3.4Å; L240-I244 VanDerWaalsContact O-CG1 3.27Å; L240-I244 WeakPolarHBondContact O-CG1 3.42Å; L240-I244 PolarHBondContact O-N 3.19Å; E241-I244 PolarHBondContact O-N 3.43Å; I244-R246 PolarHBondContact O-N 3.35Å; I244-L247 WeakPolarHBondContact O-CB 3.42Å; I244-L247 PolarHBondContact O-N 3.44Å; I244-H248 PolarHBondContact O-CD2 3.39Å; I244-H248 VanDerWaalsContact O-CD2 3.25Å; I244-H248 PolarHBondContact O-N 3.01Å; I244-L264 HydrophobicContact CG2-CD1 4.22Å; I244-I268 HydrophobicContact CG2-CG1 4.21Å; I244-L271 HydrophobicContact CD1-CD1 3.35Å; I244-L271 HydrophobicContact CG1-CD1 4.4Å
245	V	41.6	Very low	41.1	Very low	53 Å²	53	77.3 Å²	77.3	32%	0.321	40%	0.398	S	S	.	.	H	α-helix	trans	-55.4	-45.3	172	172	0	0	0	0	109.2	E241 L247 H248 M249	E241-V245 WeakPolarHBondContact O-CB 3.31Å; E241-V245 VanDerWaalsContact O-CG2 3.29Å; E241-V245 WeakPolarHBondContact O-CG2 3.33Å; E241-V245 PolarHBondContact O-N 2.87Å; V245-L247 PolarHBondContact O-N 3.23Å; V245-H248 PolarHBondContact O-N 2.91Å; V245-M249 HydrophobicContact CG1-CG 4.16Å; V245-M249 HydrophobicContact CG1-SD 3.75Å; V245-M249 VanDerWaalsContact O-CB 3.32Å; V245-M249 WeakPolarHBondContact O-CB 3.12Å; V245-M249 VanDerWaalsContact O-CG 3.22Å; V245-M249 WeakPolarHBondContact O-CG 3.38Å; V245-M249 PolarHBondContact O-N 2.91Å
246	R	41	Very low	40.8	Very low	85 Å²	85	80.2 Å²	80.2	32%	0.321	43%	0.43	S	S	.	.	H	α-helix	trans	-63.4	-35.6	174	-83.9	-173	-85.8	-170	-9.4	114.1	G242 Y243 I244 M249 K250	G242-R246 VanDerWaalsContact O-CB 3.25Å; G242-R246 WeakPolarHBondContact O-CB 3.4Å; G242-R246 VanDerWaalsContact O-CG 3.28Å; G242-R246 WeakPolarHBondContact O-CG 3.48Å; G242-R246 PolarHBondContact O-N 2.96Å; G242-R246 PolarHBondContact O-NE 3.31Å; Y243-R246 CarbonylContact O-C 3.5Å; Y243-R246 WeakPolarHBondContact O-CA 3.45Å; Y243-R246 WeakPolarHBondContact O-CB 3.43Å; Y243-R246 PolarHBondContact O-N 3.12Å; I244-R246 PolarHBondContact O-N 3.35Å; R246-M249 PolarHBondContact O-N 2.88Å; R246-K250 WeakPolarHBondContact O-CA 3.48Å; R246-K250 WeakPolarHBondContact O-CB 3.46Å; R246-K250 PolarHBondContact O-N 3.33Å
247	L	40.5	Very low	40.9	Very low	93 Å²	93	79.1 Å²	79.1	49%	0.487	43%	0.429	S	S	.	.	H	α-helix	trans	-64.6	-44.7	174.4	-79.8	171.9	0	0	0	110.7	Y243 I244 V245 A251	Y243-L247 HydrophobicContact CD1-CD1 3.81Å; Y243-L247 HydrophobicContact CD1-CG 4.1Å; Y243-L247 HydrophobicContact CE1-CD1 3.54Å; Y243-L247 HydrophobicContact CE1-CD2 4.2Å; Y243-L247 HydrophobicContact CE1-CG 3.81Å; Y243-L247 WeakPolarHBondContact O-CG 3.44Å; Y243-L247 PolarHBondContact O-N 2.97Å; I244-L247 WeakPolarHBondContact O-CB 3.42Å; I244-L247 PolarHBondContact O-N 3.44Å; V245-L247 PolarHBondContact O-N 3.23Å; L247-A251 PolarHBondContact O-N 3.4Å; L247-A251 VanDerWaalsContact O-N 3.17Å
248	H	37.7	Very low	40.5	Very low	60 Å²	60	84.5 Å²	84.5	28%	0.278	46%	0.456	S	S	.	.	H	α-helix	trans	-67.9	-37.1	175.5	-76.9	-79.8	0	0	0	112.6	I244 V245 A251 F255 L264	I244-H248 PolarHBondContact O-CD2 3.39Å; I244-H248 VanDerWaalsContact O-CD2 3.25Å; I244-H248 PolarHBondContact O-N 3.01Å; V245-H248 PolarHBondContact O-N 2.91Å; H248-A251 WeakPolarHBondContact O-CB 3.44Å; H248-A251 PolarHBondContact O-N 3.36Å; H248-F255 HydrophobicContact CB-CZ 3.71Å; H248-L264 HydrophobicContact CB-CD1 4.39Å; H248-L264 WeakPolarHBondContact CD2-CD1 3.36Å
249	M	36.6	Very low	40.4	Very low	121 Å²	121	88.6 Å²	88.6	60%	0.596	48%	0.48	S	S	*	.	H	α-helix	trans	-75.8	-32.8	176.7	-69.7	-173.2	87.4	0	0	112.8	V245 R246 A251 N252	V245-M249 HydrophobicContact CG1-CG 4.16Å; V245-M249 HydrophobicContact CG1-SD 3.75Å; V245-M249 VanDerWaalsContact O-CB 3.32Å; V245-M249 WeakPolarHBondContact O-CB 3.12Å; V245-M249 VanDerWaalsContact O-CG 3.22Å; V245-M249 WeakPolarHBondContact O-CG 3.38Å; V245-M249 PolarHBondContact O-N 2.91Å; R246-M249 PolarHBondContact O-N 2.88Å; M249-A251 PolarHBondContact O-N 3.46Å; M249-N252 VanDerWaalsContact O-CA 3.25Å; M249-N252 WeakPolarHBondContact O-CA 3.35Å; M249-N252 PolarHBondContact O-N 3.16Å
250	K	37.1	Very low	40.4	Very low	182 Å²	182	87.7 Å²	87.7	79%	0.791	47%	0.472	S	S	*	.	H	α-helix	trans	-65.9	-26.3	170.8	-92.8	-171.9	172.8	-179.5	0	112	R246 N252	R246-K250 WeakPolarHBondContact O-CA 3.48Å; R246-K250 WeakPolarHBondContact O-CB 3.46Å; R246-K250 PolarHBondContact O-N 3.33Å; K250-N252 PolarHBondContact O-N 3.36Å; K250-N252 VanDerWaalsContact O-N 3.14Å
251	A	40.5	Very low	40.2	Very low	70 Å²	70	87.7 Å²	87.7	58%	0.579	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-4.6	167.3	0	0	0	0	0	112.6	L247 H248 M249 K253	L247-A251 PolarHBondContact O-N 3.4Å; L247-A251 VanDerWaalsContact O-N 3.17Å; H248-A251 WeakPolarHBondContact O-CB 3.44Å; H248-A251 PolarHBondContact O-N 3.36Å; M249-A251 PolarHBondContact O-N 3.46Å; A251-K253 HydrophobicContact CB-CB 4.3Å; A251-K253 PolarHBondContact O-N 3.49Å
252	N	36.7	Very low	40.2	Very low	157 Å²	157	85.8 Å²	85.8	84%	0.84	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	30	-177.1	-130	7.9	0	0	0	112.1	M249 K250 A254	M249-N252 VanDerWaalsContact O-CA 3.25Å; M249-N252 WeakPolarHBondContact O-CA 3.35Å; M249-N252 PolarHBondContact O-N 3.16Å; K250-N252 PolarHBondContact O-N 3.36Å; K250-N252 VanDerWaalsContact O-N 3.14Å; N252-A254 PolarHBondContact O-N 2.68Å
253	K	39.4	Very low	40.3	Very low	115 Å²	115	89.1 Å²	89.1	50%	0.5	48%	0.481	S	S	.	.			trans	-90.4	108.5	-176.5	-167.4	-176.5	176.7	-159.8	0	106.9	A251 F255 E260	A251-K253 HydrophobicContact CB-CB 4.3Å; A251-K253 PolarHBondContact O-N 3.49Å; K253-F255 PolarHBondContact O-N 2.8Å; K253-E260 WeakPolarHBondContact CE-OE1 3.49Å; K253-E260 IonicContact NZ-OE1 2.68Å; K253-E260 PolarHBondContact NZ-OE1 3.09Å
254	A	38.4	Very low	40.3	Very low	84 Å²	84	84.5 Å²	84.5	69%	0.694	46%	0.464	S	S	*	.			trans	-59	130.3	167.7	0	0	0	0	0	108.8	N252 G256	N252-A254 PolarHBondContact O-N 2.68Å; A254-G256 PolarHBondContact O-N 3.3Å; A254-G256 VanDerWaalsContact O-N 3.1Å
255	F	38.2	Very low	40.2	Very low	71 Å²	71	86.6 Å²	86.6	31%	0.311	48%	0.478	S	S	.	.			trans	-75.4	95.6	169.2	-61.9	-82	0	0	0	107.5	H248 K253 E260 I261 L264	H248-F255 HydrophobicContact CB-CZ 3.71Å; K253-F255 PolarHBondContact O-N 2.8Å; F255-E260 HydrophobicContact CD1-CB 3.99Å; F255-I261 HydrophobicContact CB-CG1 3.99Å; F255-L264 HydrophobicContact CE1-CB 4.13Å; F255-L264 HydrophobicContact CE1-CD2 4.12Å; F255-L264 HydrophobicContact CE2-CD2 4.26Å; F255-L264 HydrophobicContact CZ-CB 4.48Å; F255-L264 HydrophobicContact CZ-CD1 4.35Å; F255-L264 HydrophobicContact CZ-CD2 3.73Å; F255-L264 HydrophobicContact CZ-CG 4.42Å
256	G	39.3	Very low	40.4	Very low	65 Å²	65	87.9 Å²	87.9	67%	0.67	48%	0.477	S	S	*	.			trans	-85.9	-13.7	-174.3	0	0	0	0	0	113.4	A254 E260	A254-G256 PolarHBondContact O-N 3.3Å; A254-G256 VanDerWaalsContact O-N 3.1Å; G256-E260 PolarHBondContact N-OE2 2.77Å
257	T	44.4	Very low	40.6	Very low	70 Å²	70	87.3 Å²	87.3	43%	0.429	48%	0.48	S	S	.	.	S	Bend	trans	-138.8	148.5	-174.4	66.2	0	0	0	0	112.8	T259 E260 I261	T257-T259 PolarHBondContact O-N 3.24Å; T257-E260 PolarHBondContact N-OE2 2.8Å; T257-E260 PolarHBondContact O-N 2.8Å; T257-E260 WeakPolarHBondContact OG1-CG 3.21Å; T257-E260 PolarHBondContact OG1-N 3.02Å; T257-E260 PolarHBondContact OG1-OE2 3.25Å; T257-I261 PolarHBondContact O-N 3.24Å
258	H	39.2	Very low	40.6	Very low	173 Å²	173	84.2 Å²	84.2	80%	0.801	46%	0.464	S	S	*	.	H	α-helix	trans	-52.4	-28.6	170.9	-79.2	109	0	0	0	112.7	G262	H258-G262 PolarHBondContact O-N 3.47Å
259	T	43.7	Very low	40.7	Very low	95 Å²	95	86 Å²	86	58%	0.583	47%	0.471	S	S	*	.	H	α-helix	trans	-65.5	-40.4	175.9	-53.8	0	0	0	0	112.4	T257 G262 Q263	T257-T259 PolarHBondContact O-N 3.24Å; T259-G262 PolarHBondContact O-N 3.42Å; T259-Q263 WeakPolarHBondContact O-CG 3.21Å; T259-Q263 PolarHBondContact O-N 2.86Å
260	E	40.1	Very low	41.1	Very low	38 Å²	38	84.2 Å²	84.2	18%	0.178	46%	0.458	C	S	.	.	H	α-helix	trans	-73.1	-36.8	179.3	-67.7	173.2	133.7	0	0	111.6	K253 F255 G256 T257 G262 Q263 L264	K253-E260 WeakPolarHBondContact CE-OE1 3.49Å; K253-E260 IonicContact NZ-OE1 2.68Å; K253-E260 PolarHBondContact NZ-OE1 3.09Å; F255-E260 HydrophobicContact CD1-CB 3.99Å; G256-E260 PolarHBondContact N-OE2 2.77Å; T257-E260 PolarHBondContact N-OE2 2.8Å; T257-E260 PolarHBondContact O-N 2.8Å; T257-E260 WeakPolarHBondContact OG1-CG 3.21Å; T257-E260 PolarHBondContact OG1-N 3.02Å; T257-E260 PolarHBondContact OG1-OE2 3.25Å; E260-G262 VanDerWaalsContact C-N 3.33Å; E260-Q263 PolarHBondContact O-N 3.16Å; E260-L264 PolarHBondContact O-N 3.43Å; E260-L264 VanDerWaalsContact O-N 3.09Å
261	I	39.5	Very low	41.3	Very low	80 Å²	80	79 Å²	79	41%	0.41	44%	0.439	S	S	.	.	H	α-helix	trans	-62.9	-43.2	170.6	-61.4	174.6	0	0	0	110.1	F255 T257 Q263 L264 V265	F255-I261 HydrophobicContact CB-CG1 3.99Å; T257-I261 PolarHBondContact O-N 3.24Å; I261-Q263 VanDerWaalsContact C-N 3.26Å; I261-Q263 PolarHBondContact O-N 3.44Å; I261-L264 PolarHBondContact O-N 3.2Å; I261-V265 HydrophobicContact CG2-CG2 4.49Å; I261-V265 WeakPolarHBondContact O-CG2 3.4Å; I261-V265 PolarHBondContact O-N 3.04Å
262	G	42.9	Very low	41.3	Very low	32 Å²	32	78.4 Å²	78.4	33%	0.33	42%	0.423	S	S	.	.	H	α-helix	trans	-66.5	-22.9	176.2	0	0	0	0	0	114.4	H258 T259 E260 R266	H258-G262 PolarHBondContact O-N 3.47Å; T259-G262 PolarHBondContact O-N 3.42Å; E260-G262 VanDerWaalsContact C-N 3.33Å; G262-R266 VanDerWaalsContact O-CB 3.23Å; G262-R266 WeakPolarHBondContact O-CB 3.31Å; G262-R266 PolarHBondContact O-N 3.34Å
263	Q	44.5	Very low	41.4	Very low	90 Å²	90	77.8 Å²	77.8	42%	0.421	41%	0.413	S	S	.	.	H	α-helix	trans	-75.1	-46.7	170.4	-78.1	172.9	-15.6	0	0	111	T259 E260 I261 V265 R266 D267	T259-Q263 WeakPolarHBondContact O-CG 3.21Å; T259-Q263 PolarHBondContact O-N 2.86Å; E260-Q263 PolarHBondContact O-N 3.16Å; I261-Q263 VanDerWaalsContact C-N 3.26Å; I261-Q263 PolarHBondContact O-N 3.44Å; Q263-V265 PolarHBondContact O-N 3.13Å; Q263-R266 WeakPolarHBondContact O-CB 3.43Å; Q263-R266 PolarHBondContact O-N 3.21Å; Q263-R266 VanDerWaalsContact O-N 3.13Å; Q263-D267 VanDerWaalsContact O-CG 3.26Å; Q263-D267 PolarHBondContact O-N 2.97Å
264	L	41.2	Very low	41.2	Very low	23 Å²	23	75.7 Å²	75.7	12%	0.12	41%	0.407	C	S	.	.	H	α-helix	trans	-56.4	-48.6	176.1	177.5	69.3	0	0	0	112.1	I244 H248 F255 E260 I261 R266 D267 I268	I244-L264 HydrophobicContact CG2-CD1 4.22Å; H248-L264 HydrophobicContact CB-CD1 4.39Å; H248-L264 WeakPolarHBondContact CD2-CD1 3.36Å; F255-L264 HydrophobicContact CE1-CB 4.13Å; F255-L264 HydrophobicContact CE1-CD2 4.12Å; F255-L264 HydrophobicContact CE2-CD2 4.26Å; F255-L264 HydrophobicContact CZ-CB 4.48Å; F255-L264 HydrophobicContact CZ-CD1 4.35Å; F255-L264 HydrophobicContact CZ-CD2 3.73Å; F255-L264 HydrophobicContact CZ-CG 4.42Å; E260-L264 PolarHBondContact O-N 3.43Å; E260-L264 VanDerWaalsContact O-N 3.09Å; I261-L264 PolarHBondContact O-N 3.2Å; L264-R266 VanDerWaalsContact C-N 3.28Å; L264-R266 PolarHBondContact O-N 3.24Å; L264-D267 PolarHBondContact O-N 3.11Å; L264-I268 HydrophobicContact CD1-CD1 4.16Å; L264-I268 HydrophobicContact CG-CD1 4.01Å; L264-I268 WeakPolarHBondContact O-CG1 3.49Å; L264-I268 PolarHBondContact O-N 2.99Å
265	V	42.7	Very low	41.1	Very low	62 Å²	62	79.6 Å²	79.6	38%	0.376	41%	0.408	S	S	.	.	H	α-helix	trans	-62	-38.5	178.3	173.2	0	0	0	0	111	I261 Q263 F269	I261-V265 HydrophobicContact CG2-CG2 4.49Å; I261-V265 WeakPolarHBondContact O-CG2 3.4Å; I261-V265 PolarHBondContact O-N 3.04Å; Q263-V265 PolarHBondContact O-N 3.13Å; V265-F269 HydrophobicContact CG1-CD2 4.03Å; V265-F269 HydrophobicContact CG1-CE2 4.31Å; V265-F269 WeakPolarHBondContact O-CB 3.11Å; V265-F269 WeakPolarHBondContact O-CD2 3.3Å; V265-F269 PolarHBondContact O-N 3.42Å; V265-F269 VanDerWaalsContact O-N 3.08Å
266	R	44.7	Very low	40.8	Very low	80 Å²	80	84 Å²	84	30%	0.302	43%	0.429	S	S	.	.	H	α-helix	trans	-64.6	-42.9	177.6	-178	-165.5	-46.3	-166.1	1.2	112	G262 Q263 L264 F269 Y270	G262-R266 VanDerWaalsContact O-CB 3.23Å; G262-R266 WeakPolarHBondContact O-CB 3.31Å; G262-R266 PolarHBondContact O-N 3.34Å; Q263-R266 WeakPolarHBondContact O-CB 3.43Å; Q263-R266 PolarHBondContact O-N 3.21Å; Q263-R266 VanDerWaalsContact O-N 3.13Å; L264-R266 VanDerWaalsContact C-N 3.28Å; L264-R266 PolarHBondContact O-N 3.24Å; R266-F269 PolarHBondContact O-N 2.93Å; R266-Y270 WeakPolarHBondContact O-CB 3.48Å; R266-Y270 PolarHBondContact O-N 3.19Å
267	D	44.4	Very low	40.5	Very low	73 Å²	73	90.6 Å²	90.6	39%	0.39	44%	0.443	S	S	.	.	H	α-helix	trans	-69.6	-41.6	-177.5	-65.3	-15.9	0	0	0	111.1	Q263 L264 F269 Y270 L271	Q263-D267 VanDerWaalsContact O-CG 3.26Å; Q263-D267 PolarHBondContact O-N 2.97Å; L264-D267 PolarHBondContact O-N 3.11Å; D267-F269 PolarHBondContact O-N 3.08Å; D267-Y270 PolarHBondContact O-N 3.25Å; D267-L271 WeakPolarHBondContact O-CG 3.47Å; D267-L271 PolarHBondContact O-N 3.12Å
268	I	41.1	Very low	40.4	Very low	27 Å²	27	90.3 Å²	90.3	14%	0.138	45%	0.454	C	S	.	.	H	α-helix	trans	-57.4	-48.9	172.3	-71.6	167	0	0	0	110.9	E241 I244 L264 L271 K272	E241-I268 HydrophobicContact CG-CG2 3.72Å; I244-I268 HydrophobicContact CG2-CG1 4.21Å; L264-I268 HydrophobicContact CD1-CD1 4.16Å; L264-I268 HydrophobicContact CG-CD1 4.01Å; L264-I268 WeakPolarHBondContact O-CG1 3.49Å; L264-I268 PolarHBondContact O-N 2.99Å; I268-L271 PolarHBondContact O-N 3.18Å; I268-K272 PolarHBondContact O-N 3.09Å
269	F	40.2	Very low	40.5	Very low	99 Å²	99	84.1 Å²	84.1	43%	0.434	43%	0.429	S	S	.	.	H	α-helix	trans	-73.3	-33.5	-176.2	-93.2	-94.8	0	0	0	113.4	V265 R266 D267 L271 K272 F273	V265-F269 HydrophobicContact CG1-CD2 4.03Å; V265-F269 HydrophobicContact CG1-CE2 4.31Å; V265-F269 WeakPolarHBondContact O-CB 3.11Å; V265-F269 WeakPolarHBondContact O-CD2 3.3Å; V265-F269 PolarHBondContact O-N 3.42Å; V265-F269 VanDerWaalsContact O-N 3.08Å; R266-F269 PolarHBondContact O-N 2.93Å; D267-F269 PolarHBondContact O-N 3.08Å; F269-L271 VanDerWaalsContact C-N 3.26Å; F269-L271 PolarHBondContact O-N 3.46Å; F269-K272 WeakPolarHBondContact O-CB 3.46Å; F269-K272 PolarHBondContact O-N 3.42Å; F269-F273 HydrophobicContact CD1-CE2 4.12Å; F269-F273 VanDerWaalsContact O-CD2 3.31Å; F269-F273 WeakPolarHBondContact O-CD2 3.43Å
270	Y	45.6	Very low	40.3	Very low	83 Å²	83	86.1 Å²	86.1	33%	0.325	43%	0.43	S	S	.	.	H	α-helix	trans	-64.1	-34.7	177.9	-171.3	-93.2	0	0	0	111.7	R266 D267 L274 V284 I319	R266-Y270 WeakPolarHBondContact O-CB 3.48Å; R266-Y270 PolarHBondContact O-N 3.19Å; D267-Y270 PolarHBondContact O-N 3.25Å; Y270-L274 HydrophobicContact CD1-CD1 4.02Å; Y270-L274 HydrophobicContact CE1-CD1 3.25Å; Y270-L274 HydrophobicContact CE1-CG 4.27Å; Y270-V284 HydrophobicContact CE2-CG1 4.04Å; Y270-I319 HydrophobicContact CD1-CD1 4.22Å; Y270-I319 HydrophobicContact CE1-CD1 3.41Å; Y270-I319 VanDerWaalsContact CE1-CD1 3.41Å; Y270-I319 HydrophobicContact CE1-CG1 4.4Å
271	L	40.5	Very low	40.1	Very low	72 Å²	72	90.1 Å²	90.1	38%	0.377	45%	0.452	S	S	.	.	H	α-helix	trans	-69.5	-34.2	176.3	-69.6	167.8	0	0	0	113	I244 D267 I268 F269 F273	I244-L271 HydrophobicContact CD1-CD1 3.35Å; I244-L271 HydrophobicContact CG1-CD1 4.4Å; D267-L271 WeakPolarHBondContact O-CG 3.47Å; D267-L271 PolarHBondContact O-N 3.12Å; I268-L271 PolarHBondContact O-N 3.18Å; F269-L271 VanDerWaalsContact C-N 3.26Å; F269-L271 PolarHBondContact O-N 3.46Å; L271-F273 PolarHBondContact O-N 3.21Å; L271-F273 VanDerWaalsContact O-N 3.1Å
272	K	39.5	Very low	40	Very low	58 Å²	58	96.3 Å²	96.3	25%	0.252	47%	0.47	S	S	.	.	H	α-helix	trans	-56.8	-26.4	179.3	-174.2	164.8	-176.3	145.3	0	113.6	E234 I268 F269	E234-K272 IonicContact OE1-NZ 3.63Å; E234-K272 IonicContact OE2-NZ 3.11Å; I268-K272 PolarHBondContact O-N 3.09Å; F269-K272 WeakPolarHBondContact O-CB 3.46Å; F269-K272 PolarHBondContact O-N 3.42Å
273	F	40	Very low	39.9	Very low	143 Å²	143	103.1 Å²	103.1	63%	0.627	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	8.3	-166.9	-65.3	-72	0	0	0	116	F269 L271	F269-F273 HydrophobicContact CD1-CE2 4.12Å; F269-F273 VanDerWaalsContact O-CD2 3.31Å; F269-F273 WeakPolarHBondContact O-CD2 3.43Å; L271-F273 PolarHBondContact O-N 3.21Å; L271-F273 VanDerWaalsContact O-N 3.1Å
274	L	35.2	Very low	39.5	Very low	71 Å²	71	100.7 Å²	100.7	37%	0.372	48%	0.477	S	S	.	.			trans	-98.7	15.4	178.9	-92.8	-179.9	0	0	0	115.6	Y270 Q276 I319	Y270-L274 HydrophobicContact CD1-CD1 4.02Å; Y270-L274 HydrophobicContact CE1-CD1 3.25Å; Y270-L274 HydrophobicContact CE1-CG 4.27Å; L274-Q276 PolarHBondContact O-N 3.33Å; L274-I319 HydrophobicContact CD1-CD1 4.39Å
275	K	35.6	Very low	39.1	Very low	167 Å²	167	100.7 Å²	100.7	73%	0.726	48%	0.477	S	S	*	.	S	Bend	trans	-74.6	8.4	-178.9	-140	-171.1	-179.1	178.7	0	115.6
276	Q	32.4	Very low	38.8	Very low	162 Å²	162	100.9 Å²	100.9	76%	0.757	49%	0.485	S	S	*	.	S	Bend	trans	-140.6	138.1	174	-69.5	-162	-16.4	0	0	113.1	L274 G278 P279	L274-Q276 PolarHBondContact O-N 3.33Å; Q276-G278 PolarHBondContact O-N 2.81Å; Q276-P279 WeakPolarHBondContact O-CD 3.39Å
277	E	33.8	Very low	38.3	Very low	205 Å²	205	102.5 Å²	102.5	96%	0.958	50%	0.504	S	S	*	.	S	Bend	trans	-49.5	119.5	165.2	-66.8	-176.6	158.2	0	0	109.2
278	G	41.9	Very low	37.9	Very low	63 Å²	63	103.6 Å²	103.6	65%	0.649	50%	0.503	S	S	*	.			trans	98.7	32.5	159.3	0	0	0	0	0	120	Q276 K280	Q276-G278 PolarHBondContact O-N 2.81Å; G278-K280 PolarHBondContact O-N 3.35Å
279	P	41.3	Very low	37.9	Very low	44 Å²	44	104.5 Å²	104.5	29%	0.286	52%	0.519	S	S	.	.			trans	-69.6	98.4	145.2	31.6	-28.7	0	0	0	106	Q276 L281 R283 V284	Q276-P279 WeakPolarHBondContact O-CD 3.39Å; P279-L281 PolarHBondContact O-N 2.75Å; P279-L281 VanDerWaalsContact O-N 3.16Å; P279-R283 HydrophobicContact CB-CB 4.38Å; P279-V284 HydrophobicContact CB-CG2 3.68Å; P279-V284 HydrophobicContact CG-CG2 3.75Å
280	K	39.9	Very low	38	Very low	137 Å²	137	101.9 Å²	101.9	60%	0.596	51%	0.511	S	S	*	.			trans	-40.9	129.3	169.9	-68.4	-173.6	178.9	-173.8	0	106.7	G278 R282 R283	G278-K280 PolarHBondContact O-N 3.35Å; K280-R282 CarbonylContact O-C 3.56Å; K280-R282 PolarHBondContact O-N 2.87Å; K280-R283 WeakPolarHBondContact O-CB 3.5Å; K280-R283 PolarHBondContact O-N 3.36Å
281	L	36.2	Very low	38.2	Very low	122 Å²	122	100.6 Å²	100.6	64%	0.639	51%	0.506	S	S	*	.	H	α-helix	trans	-35	-42.9	-175.9	-179.5	63.7	0	0	0	112.7	P279 R283 V284 L285	P279-L281 PolarHBondContact O-N 2.75Å; P279-L281 VanDerWaalsContact O-N 3.16Å; L281-R283 VanDerWaalsContact C-N 3.35Å; L281-R283 PolarHBondContact O-N 3.31Å; L281-V284 PolarHBondContact O-N 3.4Å; L281-V284 VanDerWaalsContact O-N 3.14Å; L281-L285 HydrophobicContact CD1-CD1 4.19Å; L281-L285 HydrophobicContact CD1-CD2 4.29Å; L281-L285 HydrophobicContact CD1-CG 4.07Å; L281-L285 HydrophobicContact CD2-CD1 4.21Å; L281-L285 HydrophobicContact CG-CD1 3.63Å; L281-L285 HydrophobicContact CG-CG 3.98Å; L281-L285 WeakPolarHBondContact O-CB 3.16Å; L281-L285 WeakPolarHBondContact O-CG 3.43Å; L281-L285 PolarHBondContact O-N 2.75Å
282	R	36.8	Very low	38.6	Very low	210 Å²	210	101 Å²	101	79%	0.792	51%	0.506	S	S	*	.	H	α-helix	trans	-50.4	-38.7	172.7	-127.1	-178.5	-170.6	-142.1	2.9	116.3	K280 L285 A286	K280-R282 CarbonylContact O-C 3.56Å; K280-R282 PolarHBondContact O-N 2.87Å; R282-L285 PolarHBondContact O-N 3.24Å; R282-A286 WeakPolarHBondContact O-CB 3.45Å; R282-A286 PolarHBondContact O-N 3.36Å
283	R	39.7	Very low	39.6	Very low	175 Å²	175	102.2 Å²	102.2	66%	0.66	52%	0.515	S	S	*	.	H	α-helix	trans	-71.3	-39.6	178	-129.1	179.3	-170.6	175.9	0.3	111.9	P279 K280 L281 T287	P279-R283 HydrophobicContact CB-CB 4.38Å; K280-R283 WeakPolarHBondContact O-CB 3.5Å; K280-R283 PolarHBondContact O-N 3.36Å; L281-R283 VanDerWaalsContact C-N 3.35Å; L281-R283 PolarHBondContact O-N 3.31Å; R283-T287 PolarHBondContact O-OG1 3.14Å
284	V	37.5	Very low	40	Very low	39 Å²	39	96.8 Å²	96.8	24%	0.236	49%	0.494	C	S	.	.	H	α-helix	trans	-67.9	-40.6	172	-176.1	0	0	0	0	110.5	Y270 P279 L281	Y270-V284 HydrophobicContact CE2-CG1 4.04Å; P279-V284 HydrophobicContact CB-CG2 3.68Å; P279-V284 HydrophobicContact CG-CG2 3.75Å; L281-V284 PolarHBondContact O-N 3.4Å; L281-V284 VanDerWaalsContact O-N 3.14Å
285	L	32.5	Very low	41	Very low	22 Å²	22	96.3 Å²	96.3	12%	0.115	49%	0.491	C	S	.	.	H	α-helix	trans	-71	-33.9	178.3	-66.1	176.1	0	0	0	112.5	L281 R282 T287 W291 L295	L281-L285 HydrophobicContact CD1-CD1 4.19Å; L281-L285 HydrophobicContact CD1-CD2 4.29Å; L281-L285 HydrophobicContact CD1-CG 4.07Å; L281-L285 HydrophobicContact CD2-CD1 4.21Å; L281-L285 HydrophobicContact CG-CD1 3.63Å; L281-L285 HydrophobicContact CG-CG 3.98Å; L281-L285 WeakPolarHBondContact O-CB 3.16Å; L281-L285 WeakPolarHBondContact O-CG 3.43Å; L281-L285 PolarHBondContact O-N 2.75Å; R282-L285 PolarHBondContact O-N 3.24Å; L285-T287 VanDerWaalsContact C-N 3.28Å; L285-T287 PolarHBondContact O-N 2.82Å; L285-W291 HydrophobicContact CD2-CB 3.53Å; L285-W291 HydrophobicContact CD2-CD2 3.36Å; L285-W291 HydrophobicContact CD2-CE3 3.48Å; L285-W291 VanDerWaalsContact CD2-CE3 3.48Å; L285-W291 HydrophobicContact CD2-CG 3.39Å; L285-W291 HydrophobicContact CD2-CZ3 4.3Å; L285-L295 HydrophobicContact CD1-CD1 4.12Å
286	A	35.5	Very low	42.5	Very low	67 Å²	67	94 Å²	94	55%	0.554	48%	0.478	S	S	*	.	H	α-helix	trans	-69.5	-23.1	-177.8	0	0	0	0	0	113.2	R282	R282-A286 WeakPolarHBondContact O-CB 3.45Å; R282-A286 PolarHBondContact O-N 3.36Å
287	T	35.9	Very low	44.2	Very low	114 Å²	114	87 Å²	87	70%	0.699	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-2.5	-174.2	-6.4	0	0	0	0	114.4	R283 L285	R283-T287 PolarHBondContact O-OG1 3.14Å; L285-T287 VanDerWaalsContact C-N 3.28Å; L285-T287 PolarHBondContact O-N 2.82Å
288	Y	35.1	Very low	45.3	Very low	96 Å²	96	79.7 Å²	79.7	38%	0.376	42%	0.415	S	S	.	.			trans	-140.8	135.9	-168.7	-131.4	-95.2	0	0	0	115.9	V290 W291 Q292	Y288-V290 HydrophobicContact CD1-CB 4.23Å; Y288-V290 HydrophobicContact CD1-CG2 4.14Å; Y288-V290 HydrophobicContact CE1-CG2 4.24Å; Y288-V290 PolarHBondContact O-N 3.41Å; Y288-W291 PolarHBondContact O-N 2.81Å; Y288-Q292 WeakPolarHBondContact O-CG 3.27Å; Y288-Q292 PolarHBondContact O-N 2.76Å
289	G	40.6	Very low	46.6	Very low	46 Å²	46	83.2 Å²	83.2	47%	0.474	41%	0.414	S	S	.	.	H	α-helix	trans	-60.6	-34.6	178.7	0	0	0	0	0	114.7	Q292 D293	G289-Q292 CarbonylContact O-C 3.59Å; G289-Q292 WeakPolarHBondContact O-CB 3.35Å; G289-Q292 PolarHBondContact O-N 3.38Å; G289-D293 PolarHBondContact O-N 3.2Å
290	V	43.1	Very low	48.7	Very low	43 Å²	43	85.9 Å²	85.9	26%	0.261	42%	0.423	S	S	.	.	H	α-helix	trans	-75.3	-36.9	-176.8	-178.2	0	0	0	0	112.7	Y288 D293 V294	Y288-V290 HydrophobicContact CD1-CB 4.23Å; Y288-V290 HydrophobicContact CD1-CG2 4.14Å; Y288-V290 HydrophobicContact CE1-CG2 4.24Å; Y288-V290 PolarHBondContact O-N 3.41Å; V290-D293 CarbonylContact O-C 3.45Å; V290-D293 WeakPolarHBondContact O-CA 3.41Å; V290-D293 WeakPolarHBondContact O-CB 3.27Å; V290-D293 PolarHBondContact O-N 3.18Å; V290-D293 VanDerWaalsContact O-N 3.13Å; V290-V294 WeakPolarHBondContact O-CG2 3.41Å; V290-V294 PolarHBondContact O-N 2.85Å
291	W	49	Very low	50.6	Low	56 Å²	56	88.5 Å²	88.5	21%	0.212	43%	0.434	C	S	.	.	H	α-helix	trans	-75	-33.2	172.5	-85.7	113.3	0	0	0	111	L285 Y288 D293 V294 L295 F311	L285-W291 HydrophobicContact CD2-CB 3.53Å; L285-W291 HydrophobicContact CD2-CD2 3.36Å; L285-W291 HydrophobicContact CD2-CE3 3.48Å; L285-W291 VanDerWaalsContact CD2-CE3 3.48Å; L285-W291 HydrophobicContact CD2-CG 3.39Å; L285-W291 HydrophobicContact CD2-CZ3 4.3Å; Y288-W291 PolarHBondContact O-N 2.81Å; W291-D293 PolarHBondContact O-N 3.17Å; W291-V294 HydrophobicContact CE3-CB 3.81Å; W291-V294 HydrophobicContact CE3-CG1 3.88Å; W291-V294 HydrophobicContact CE3-CG2 4.18Å; W291-V294 HydrophobicContact CZ3-CB 4.18Å; W291-V294 HydrophobicContact CZ3-CG1 3.77Å; W291-V294 HydrophobicContact CZ3-CG2 4.43Å; W291-V294 PolarHBondContact O-N 2.97Å; W291-L295 VanDerWaalsContact O-CB 3.28Å; W291-L295 WeakPolarHBondContact O-CB 3.23Å; W291-L295 PolarHBondContact O-N 3.44Å; W291-F311 AromaticContact CH2-CD1 3.73Å; W291-F311 HydrophobicContact CH2-CD1 3.73Å; W291-F311 HydrophobicContact CH2-CE1 4.37Å; W291-F311 HydrophobicContact CZ2-CD1 4Å; W291-F311 HydrophobicContact CZ2-CE1 4.22Å
292	Q	49.8	Very low	52.6	Low	82 Å²	82	90.5 Å²	90.5	38%	0.383	43%	0.433	S	S	.	.	H	α-helix	trans	-57	-35.8	162.5	-68.2	-74.2	-18.2	0	0	111.2	Y288 G289 R296	Y288-Q292 WeakPolarHBondContact O-CG 3.27Å; Y288-Q292 PolarHBondContact O-N 2.76Å; G289-Q292 CarbonylContact O-C 3.59Å; G289-Q292 WeakPolarHBondContact O-CB 3.35Å; G289-Q292 PolarHBondContact O-N 3.38Å; Q292-R296 WeakPolarHBondContact O-CA 3.47Å; Q292-R296 WeakPolarHBondContact O-CB 3.19Å; Q292-R296 PolarHBondContact O-N 3.48Å
293	D	59.2	Low	54.1	Low	83 Å²	83	83.1 Å²	83.1	44%	0.444	41%	0.409	S	S	.	.	H	α-helix	trans	-71.8	-36.4	176.1	-65.4	-31.2	0	0	0	112.5	G289 V290 W291 R296 A297	G289-D293 PolarHBondContact O-N 3.2Å; V290-D293 CarbonylContact O-C 3.45Å; V290-D293 WeakPolarHBondContact O-CA 3.41Å; V290-D293 WeakPolarHBondContact O-CB 3.27Å; V290-D293 PolarHBondContact O-N 3.18Å; V290-D293 VanDerWaalsContact O-N 3.13Å; W291-D293 PolarHBondContact O-N 3.17Å; D293-R296 IonicContact OD1-NE 2.98Å; D293-A297 WeakPolarHBondContact O-CA 3.27Å; D293-A297 WeakPolarHBondContact O-CB 3.3Å; D293-A297 PolarHBondContact O-N 3.44Å
294	V	49.5	Very low	55.8	Low	29 Å²	29	78.2 Å²	78.2	18%	0.176	40%	0.4	C	S	.	.	H	α-helix	trans	-68.6	-43.7	173	173.6	0	0	0	0	110.6	V290 W291 A297 I298 L303	V290-V294 WeakPolarHBondContact O-CG2 3.41Å; V290-V294 PolarHBondContact O-N 2.85Å; W291-V294 HydrophobicContact CE3-CB 3.81Å; W291-V294 HydrophobicContact CE3-CG1 3.88Å; W291-V294 HydrophobicContact CE3-CG2 4.18Å; W291-V294 HydrophobicContact CZ3-CB 4.18Å; W291-V294 HydrophobicContact CZ3-CG1 3.77Å; W291-V294 HydrophobicContact CZ3-CG2 4.43Å; W291-V294 PolarHBondContact O-N 2.97Å; V294-A297 PolarHBondContact O-N 2.74Å; V294-I298 HydrophobicContact CG1-CD1 4.05Å; V294-I298 VanDerWaalsContact O-CG1 3.26Å; V294-I298 WeakPolarHBondContact O-CG1 3.04Å; V294-I298 PolarHBondContact O-N 3.28Å; V294-L303 HydrophobicContact CG1-CD2 3.89Å
295	L	56	Low	57.3	Low	61 Å²	61	80.2 Å²	80.2	32%	0.319	41%	0.414	S	S	.	.	H	α-helix	trans	-63.4	-48.7	176.6	-135.2	145.1	0	0	0	109.9	L285 W291 A297 I298 E299	L285-L295 HydrophobicContact CD1-CD1 4.12Å; W291-L295 VanDerWaalsContact O-CB 3.28Å; W291-L295 WeakPolarHBondContact O-CB 3.23Å; W291-L295 PolarHBondContact O-N 3.44Å; L295-A297 VanDerWaalsContact C-N 3.32Å; L295-A297 PolarHBondContact O-N 3.37Å; L295-I298 CarbonylContact O-C 3.6Å; L295-I298 WeakPolarHBondContact O-CA 3.48Å; L295-I298 WeakPolarHBondContact O-CB 3.31Å; L295-I298 PolarHBondContact O-N 3.49Å; L295-E299 HydrophobicContact CD2-CG 4.2Å; L295-E299 VanDerWaalsContact CD2-OE1 3.25Å; L295-E299 WeakPolarHBondContact CD2-OE1 3.45Å; L295-E299 WeakPolarHBondContact O-CB 3.42Å; L295-E299 WeakPolarHBondContact O-CG 3.45Å; L295-E299 PolarHBondContact O-N 3.27Å
296	R	67.2	Low	59.3	Low	118 Å²	118	83.2 Å²	83.2	45%	0.445	44%	0.436	S	S	.	.	H	α-helix	trans	-58.7	-41.3	172.5	-174	-164.8	-48.5	-126.5	2.8	111.4	Q292 D293 I298 E299 E300	Q292-R296 WeakPolarHBondContact O-CA 3.47Å; Q292-R296 WeakPolarHBondContact O-CB 3.19Å; Q292-R296 PolarHBondContact O-N 3.48Å; D293-R296 IonicContact OD1-NE 2.98Å; R296-I298 VanDerWaalsContact C-N 3.3Å; R296-I298 PolarHBondContact O-N 3.5Å; R296-E299 PolarHBondContact O-N 3.48Å; R296-E300 WeakPolarHBondContact CD-OE1 3.31Å; R296-E300 HydrophobicContact CG-CG 4.18Å; R296-E300 WeakPolarHBondContact CG-OE1 3.32Å; R296-E300 WeakPolarHBondContact O-CB 3.42Å; R296-E300 WeakPolarHBondContact O-CG 3.19Å; R296-E300 PolarHBondContact O-N 2.93Å
297	A	68.7	Low	60.9	Low	15 Å²	15	81.7 Å²	81.7	12%	0.124	42%	0.424	C	S	.	.	H	α-helix	trans	-66.2	-33.9	176.1	0	0	0	0	0	111.7	D293 V294 L295 K301 R302 L303	D293-A297 WeakPolarHBondContact O-CA 3.27Å; D293-A297 WeakPolarHBondContact O-CB 3.3Å; D293-A297 PolarHBondContact O-N 3.44Å; V294-A297 PolarHBondContact O-N 2.74Å; L295-A297 VanDerWaalsContact C-N 3.32Å; L295-A297 PolarHBondContact O-N 3.37Å; A297-K301 CarbonylContact O-C 3.55Å; A297-K301 PolarHBondContact O-N 3.29Å; A297-R302 HydrophobicContact CB-CB 4.2Å; A297-R302 CarbonylContact O-C 3.56Å; A297-R302 WeakPolarHBondContact O-CA 3.32Å; A297-R302 PolarHBondContact O-N 2.72Å; A297-L303 HydrophobicContact CB-CB 3.93Å; A297-L303 PolarHBondContact O-N 3.09Å
298	I	55.8	Low	62.2	Low	52 Å²	52	76.7 Å²	76.7	27%	0.267	40%	0.395	S	S	.	.	H	α-helix	trans	-70.6	-47.4	173.2	-68	165.1	0	0	0	110.9	V294 L295 R296 E300 K301 L303 P305	V294-I298 HydrophobicContact CG1-CD1 4.05Å; V294-I298 VanDerWaalsContact O-CG1 3.26Å; V294-I298 WeakPolarHBondContact O-CG1 3.04Å; V294-I298 PolarHBondContact O-N 3.28Å; L295-I298 CarbonylContact O-C 3.6Å; L295-I298 WeakPolarHBondContact O-CA 3.48Å; L295-I298 WeakPolarHBondContact O-CB 3.31Å; L295-I298 PolarHBondContact O-N 3.49Å; R296-I298 VanDerWaalsContact C-N 3.3Å; R296-I298 PolarHBondContact O-N 3.5Å; I298-E300 VanDerWaalsContact C-N 3.34Å; I298-E300 PolarHBondContact O-N 3.45Å; I298-K301 WeakPolarHBondContact O-CA 3.31Å; I298-K301 PolarHBondContact O-N 2.9Å; I298-L303 WeakPolarHBondContact CA-O 3.38Å; I298-L303 HydrophobicContact CD1-CD2 4.48Å; I298-L303 HydrophobicContact CG1-CB 4.17Å; I298-L303 HydrophobicContact CG1-CD2 4.12Å; I298-P305 HydrophobicContact CG2-CB 4.4Å; I298-P305 HydrophobicContact CG2-CG 3.94Å
299	E	69.9	Low	63.6	Low	137 Å²	137	77 Å²	77	64%	0.64	40%	0.402	S	S	*	.	H	α-helix	trans	-60.1	-42.7	176.9	-73.4	174.8	165.5	0	0	111.6	L295 R296 K301	L295-E299 HydrophobicContact CD2-CG 4.2Å; L295-E299 VanDerWaalsContact CD2-OE1 3.25Å; L295-E299 WeakPolarHBondContact CD2-OE1 3.45Å; L295-E299 WeakPolarHBondContact O-CB 3.42Å; L295-E299 WeakPolarHBondContact O-CG 3.45Å; L295-E299 PolarHBondContact O-N 3.27Å; R296-E299 PolarHBondContact O-N 3.48Å; E299-K301 PolarHBondContact O-N 2.93Å
300	E	85.5	Confident	64.8	Low	99 Å²	99	78.1 Å²	78.1	46%	0.463	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	3.7	174.2	-67	-178.6	-152.6	0	0	113.1	R296 I298 R302	R296-E300 WeakPolarHBondContact CD-OE1 3.31Å; R296-E300 HydrophobicContact CG-CG 4.18Å; R296-E300 WeakPolarHBondContact CG-OE1 3.32Å; R296-E300 WeakPolarHBondContact O-CB 3.42Å; R296-E300 WeakPolarHBondContact O-CG 3.19Å; R296-E300 PolarHBondContact O-N 2.93Å; I298-E300 VanDerWaalsContact C-N 3.34Å; I298-E300 PolarHBondContact O-N 3.45Å; E300-R302 HydrophobicContact CB-CG 4.21Å; E300-R302 PolarHBondContact O-N 3.39Å; E300-R302 IonicContact OE1-NH2 2.88Å; E300-R302 PolarHBondContact OE1-NH2 2.98Å; E300-R302 VanDerWaalsContact OE1-NH2 3.11Å; E300-R302 IonicContact OE2-CZ 3.06Å; E300-R302 IonicContact OE2-NE 3.2Å; E300-R302 PolarHBondContact OE2-NE 2.91Å; E300-R302 IonicContact OE2-NH2 2.68Å; E300-R302 PolarHBondContact OE2-NH2 3.45Å
301	K	79.7	Confident	65.5	Low	193 Å²	193	81.1 Å²	81.1	84%	0.839	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	17.1	-179.3	-51.5	178.3	-178.6	177.5	0	114.5	A297 I298 E299 L303	A297-K301 CarbonylContact O-C 3.55Å; A297-K301 PolarHBondContact O-N 3.29Å; I298-K301 WeakPolarHBondContact O-CA 3.31Å; I298-K301 PolarHBondContact O-N 2.9Å; E299-K301 PolarHBondContact O-N 2.93Å; K301-L303 VanDerWaalsContact C-N 3.31Å
302	R	78.3	Confident	65.9	Low	164 Å²	164	79.9 Å²	79.9	62%	0.619	42%	0.417	S	S	*	.	S	Bend	trans	-73.2	-24.1	172.1	-68.8	-168.7	-83.6	153.6	-10.6	112.4	A297 E300	A297-R302 HydrophobicContact CB-CB 4.2Å; A297-R302 CarbonylContact O-C 3.56Å; A297-R302 WeakPolarHBondContact O-CA 3.32Å; A297-R302 PolarHBondContact O-N 2.72Å; E300-R302 HydrophobicContact CB-CG 4.21Å; E300-R302 PolarHBondContact O-N 3.39Å; E300-R302 IonicContact OE1-NH2 2.88Å; E300-R302 PolarHBondContact OE1-NH2 2.98Å; E300-R302 VanDerWaalsContact OE1-NH2 3.11Å; E300-R302 IonicContact OE2-CZ 3.06Å; E300-R302 IonicContact OE2-NE 3.2Å; E300-R302 PolarHBondContact OE2-NE 2.91Å; E300-R302 IonicContact OE2-NH2 2.68Å; E300-R302 PolarHBondContact OE2-NH2 3.45Å
303	L	68.5	Low	66.3	Low	54 Å²	54	83 Å²	83	28%	0.283	43%	0.429	S	S	.	.	S	Bend	trans	-130.4	127.5	177	-167.7	79.3	0	0	0	109.6	V294 A297 I298 K301 A307	V294-L303 HydrophobicContact CG1-CD2 3.89Å; A297-L303 HydrophobicContact CB-CB 3.93Å; A297-L303 PolarHBondContact O-N 3.09Å; I298-L303 WeakPolarHBondContact CA-O 3.38Å; I298-L303 HydrophobicContact CD1-CD2 4.48Å; I298-L303 HydrophobicContact CG1-CB 4.17Å; I298-L303 HydrophobicContact CG1-CD2 4.12Å; K301-L303 VanDerWaalsContact C-N 3.31Å; L303-A307 HydrophobicContact CD1-CB 4.03Å; L303-A307 HydrophobicContact CG-CB 4.09Å
304	P	74.2	Confident	66.3	Low	72 Å²	72	83.9 Å²	83.9	47%	0.468	43%	0.431	S	S	.	.			trans	-67.3	142.8	175.3	26	-30.9	0	0	0	110.4	S306 A307 G308	P304-S306 PolarHBondContact O-N 2.91Å; P304-S306 VanDerWaalsContact O-N 3.1Å; P304-A307 HydrophobicContact CG-CB 3.85Å; P304-A307 WeakPolarHBondContact O-CB 3.42Å; P304-A307 PolarHBondContact O-N 3.45Å; P304-G308 PolarHBondContact O-N 2.94Å
305	P	68.7	Low	66.2	Low	81 Å²	81	84.1 Å²	84.1	53%	0.526	44%	0.435	S	S	.	.	H	α-helix	trans	-53.2	-35.5	179.7	-26.3	31.6	0	0	0	113.5	I298 A307 G308 I309	I298-P305 HydrophobicContact CG2-CB 4.4Å; I298-P305 HydrophobicContact CG2-CG 3.94Å; P305-A307 VanDerWaalsContact C-N 3.3Å; P305-A307 PolarHBondContact O-N 3.48Å; P305-G308 PolarHBondContact O-N 2.8Å; P305-I309 WeakPolarHBondContact O-CG1 3.46Å; P305-I309 PolarHBondContact O-N 3.45Å
306	S	74.6	Confident	65.7	Low	85 Å²	85	83.2 Å²	83.2	59%	0.594	44%	0.437	S	S	*	.	H	α-helix	trans	-60.2	-36.1	176.7	52.5	0	0	0	0	113.2	P304 S310	P304-S306 PolarHBondContact O-N 2.91Å; P304-S306 VanDerWaalsContact O-N 3.1Å; S306-S310 WeakPolarHBondContact O-CB 3.15Å; S306-S310 PolarHBondContact O-N 3.04Å
307	A	69.4	Low	65	Low	36 Å²	36	82 Å²	82	30%	0.298	44%	0.437	S	S	.	.	H	α-helix	trans	-71.4	-39.4	177	0	0	0	0	0	111.6	L303 P304 P305 S310 F311	L303-A307 HydrophobicContact CD1-CB 4.03Å; L303-A307 HydrophobicContact CG-CB 4.09Å; P304-A307 HydrophobicContact CG-CB 3.85Å; P304-A307 WeakPolarHBondContact O-CB 3.42Å; P304-A307 PolarHBondContact O-N 3.45Å; P305-A307 VanDerWaalsContact C-N 3.3Å; P305-A307 PolarHBondContact O-N 3.48Å; A307-S310 PolarHBondContact O-N 2.87Å; A307-F311 WeakPolarHBondContact O-CB 3.39Å; A307-F311 PolarHBondContact O-N 3.35Å
308	G	64.3	Low	64.1	Low	8 Å²	8	87.2 Å²	87.2	8%	0.082	46%	0.456	C	S	.	.	H	α-helix	trans	-61.8	-41.7	173	0	0	0	0	0	112.6	P304 P305 F311 G312	P304-G308 PolarHBondContact O-N 2.94Å; P305-G308 PolarHBondContact O-N 2.8Å; G308-F311 PolarHBondContact O-N 2.98Å; G308-G312 PolarHBondContact O-N 3.25Å
309	I	63.3	Low	63.4	Low	102 Å²	102	86.3 Å²	86.3	52%	0.523	45%	0.451	S	S	.	.	H	α-helix	trans	-65.5	-43.3	174.9	-64.7	170.3	0	0	0	111.1	P305 F311 G312 K313	P305-I309 WeakPolarHBondContact O-CG1 3.46Å; P305-I309 PolarHBondContact O-N 3.45Å; I309-F311 VanDerWaalsContact C-N 3.3Å; I309-F311 PolarHBondContact O-N 3.19Å; I309-G312 PolarHBondContact O-N 2.79Å; I309-K313 HydrophobicContact CG2-CD 4.32Å; I309-K313 HydrophobicContact CG2-CG 4.47Å; I309-K313 WeakPolarHBondContact O-CG 3.34Å; I309-K313 PolarHBondContact O-N 2.92Å
310	S	65.9	Low	62.4	Low	71 Å²	71	86.5 Å²	86.5	50%	0.497	45%	0.446	S	S	.	.	H	α-helix	trans	-59.5	-42.9	176.4	-169.5	0	0	0	0	111.5	S306 A307 K313 E314	S306-S310 WeakPolarHBondContact O-CB 3.15Å; S306-S310 PolarHBondContact O-N 3.04Å; A307-S310 PolarHBondContact O-N 2.87Å; S310-K313 PolarHBondContact O-N 3.44Å; S310-E314 PolarHBondContact O-N 3.25Å
311	F	59.2	Low	60.6	Low	106 Å²	106	88.3 Å²	88.3	47%	0.465	46%	0.455	S	S	.	.	H	α-helix	trans	-61.9	-43.7	176.7	-168	-96.2	0	0	0	111.6	W291 A307 G308 I309 K313 A315	W291-F311 AromaticContact CH2-CD1 3.73Å; W291-F311 HydrophobicContact CH2-CD1 3.73Å; W291-F311 HydrophobicContact CH2-CE1 4.37Å; W291-F311 HydrophobicContact CZ2-CD1 4Å; W291-F311 HydrophobicContact CZ2-CE1 4.22Å; A307-F311 WeakPolarHBondContact O-CB 3.39Å; A307-F311 PolarHBondContact O-N 3.35Å; G308-F311 PolarHBondContact O-N 2.98Å; I309-F311 VanDerWaalsContact C-N 3.3Å; I309-F311 PolarHBondContact O-N 3.19Å; F311-K313 PolarHBondContact O-N 3.2Å; F311-A315 WeakPolarHBondContact O-CB 3.09Å; F311-A315 PolarHBondContact O-N 3.05Å; F311-A315 VanDerWaalsContact O-N 3.09Å
312	G	55.5	Low	58.8	Low	29 Å²	29	82.2 Å²	82.2	30%	0.299	44%	0.441	S	S	.	.	H	α-helix	trans	-62.6	-39	174.4	0	0	0	0	0	113.5	G308 I309 A316	G308-G312 PolarHBondContact O-N 3.25Å; I309-G312 PolarHBondContact O-N 2.79Å; G312-A316 WeakPolarHBondContact O-CB 3.34Å; G312-A316 PolarHBondContact O-N 2.79Å
313	K	59.9	Low	56.8	Low	149 Å²	149	81.7 Å²	81.7	65%	0.648	45%	0.447	S	S	*	.	H	α-helix	trans	-68.6	-44.5	177.2	-75.1	-177.5	177.7	-175.1	0	112.7	I309 S310 F311 A315 A316 E317	I309-K313 HydrophobicContact CG2-CD 4.32Å; I309-K313 HydrophobicContact CG2-CG 4.47Å; I309-K313 WeakPolarHBondContact O-CG 3.34Å; I309-K313 PolarHBondContact O-N 2.92Å; S310-K313 PolarHBondContact O-N 3.44Å; F311-K313 PolarHBondContact O-N 3.2Å; K313-A315 VanDerWaalsContact C-N 3.29Å; K313-A315 PolarHBondContact O-N 2.93Å; K313-A316 PolarHBondContact O-N 3.41Å; K313-E317 PolarHBondContact O-N 2.81Å
314	E	58.2	Low	55.6	Low	101 Å²	101	82.7 Å²	82.7	47%	0.472	46%	0.463	S	S	.	.	H	α-helix	trans	-60.4	-42.3	176.8	-170.9	-167.7	147.8	0	0	111	S310 E317 K318	S310-E314 PolarHBondContact O-N 3.25Å; E314-E317 PolarHBondContact O-N 3.5Å; E314-K318 PolarHBondContact O-N 3.08Å; E314-K318 VanDerWaalsContact O-N 3.12Å; E314-K318 IonicContact OE1-NZ 3.27Å; E314-K318 PolarHBondContact OE1-NZ 2.91Å
315	A	48	Very low	53.9	Low	33 Å²	33	86 Å²	86	27%	0.273	47%	0.47	S	S	.	.	H	α-helix	trans	-61.4	-48.1	174.6	0	0	0	0	0	111.5	F311 K313 E317 K318 I319	F311-A315 WeakPolarHBondContact O-CB 3.09Å; F311-A315 PolarHBondContact O-N 3.05Å; F311-A315 VanDerWaalsContact O-N 3.09Å; K313-A315 VanDerWaalsContact C-N 3.29Å; K313-A315 PolarHBondContact O-N 2.93Å; A315-E317 VanDerWaalsContact C-N 3.27Å; A315-E317 PolarHBondContact O-N 3.14Å; A315-K318 PolarHBondContact O-N 3.39Å; A315-I319 WeakPolarHBondContact O-CD1 3.17Å; A315-I319 WeakPolarHBondContact O-CG1 3.47Å; A315-I319 PolarHBondContact O-N 3Å
316	A	45.8	Very low	52.3	Low	43 Å²	43	91.2 Å²	91.2	36%	0.355	49%	0.485	S	S	.	.	H	α-helix	trans	-57.8	-37.3	177.3	0	0	0	0	0	113.1	G312 K313 I319 R320	G312-A316 WeakPolarHBondContact O-CB 3.34Å; G312-A316 PolarHBondContact O-N 2.79Å; K313-A316 PolarHBondContact O-N 3.41Å; A316-I319 PolarHBondContact O-N 3.24Å; A316-R320 PolarHBondContact O-N 3.37Å
317	E	52.3	Low	50.7	Low	93 Å²	93	90.5 Å²	90.5	44%	0.435	48%	0.479	S	S	.	.	H	α-helix	trans	-68.7	-46.8	178	-160	59.9	-131.3	0	0	112	K313 E314 A315 I319 R320 E321	K313-E317 PolarHBondContact O-N 2.81Å; E314-E317 PolarHBondContact O-N 3.5Å; A315-E317 VanDerWaalsContact C-N 3.27Å; A315-E317 PolarHBondContact O-N 3.14Å; E317-I319 PolarHBondContact O-N 3.24Å; E317-R320 PolarHBondContact O-N 3.45Å; E317-R320 IonicContact OE1-NH1 2.89Å; E317-R320 PolarHBondContact OE1-NH1 2.84Å; E317-R320 IonicContact OE2-CZ 2.81Å; E317-R320 IonicContact OE2-NH1 3.62Å; E317-R320 PolarHBondContact OE2-NH1 3.42Å; E317-E321 PolarHBondContact O-N 3.1Å
318	K	49.4	Very low	48.9	Very low	123 Å²	123	94.9 Å²	94.9	54%	0.535	51%	0.505	S	S	.	.	H	α-helix	trans	-58.6	-34.3	175.7	-75	174.9	170.6	165.8	0	112.2	E314 A315 A322	E314-K318 PolarHBondContact O-N 3.08Å; E314-K318 VanDerWaalsContact O-N 3.12Å; E314-K318 IonicContact OE1-NZ 3.27Å; E314-K318 PolarHBondContact OE1-NZ 2.91Å; A315-K318 PolarHBondContact O-N 3.39Å; K318-A322 WeakPolarHBondContact O-CB 3.26Å; K318-A322 PolarHBondContact O-N 3.29Å; K318-A322 VanDerWaalsContact O-N 3.07Å
319	I	41.7	Very low	47.4	Very low	33 Å²	33	98.3 Å²	98.3	17%	0.169	53%	0.526	C	S	.	.	H	α-helix	trans	-68.7	-44.8	174.6	-66.2	155.1	0	0	0	110.8	Y270 L274 A315 A316 E317 E321 A322 M323	Y270-I319 HydrophobicContact CD1-CD1 4.22Å; Y270-I319 HydrophobicContact CE1-CD1 3.41Å; Y270-I319 VanDerWaalsContact CE1-CD1 3.41Å; Y270-I319 HydrophobicContact CE1-CG1 4.4Å; L274-I319 HydrophobicContact CD1-CD1 4.39Å; A315-I319 WeakPolarHBondContact O-CD1 3.17Å; A315-I319 WeakPolarHBondContact O-CG1 3.47Å; A315-I319 PolarHBondContact O-N 3Å; A316-I319 PolarHBondContact O-N 3.24Å; E317-I319 PolarHBondContact O-N 3.24Å; I319-E321 VanDerWaalsContact C-N 3.3Å; I319-E321 PolarHBondContact O-N 3.42Å; I319-A322 PolarHBondContact O-N 3.47Å; I319-M323 HydrophobicContact CG2-CG 4.24Å; I319-M323 HydrophobicContact CG2-SD 3.89Å; I319-M323 WeakPolarHBondContact O-CB 3.23Å; I319-M323 WeakPolarHBondContact O-CG 3.46Å; I319-M323 PolarHBondContact O-N 3.35Å
320	R	47.3	Very low	45.6	Very low	141 Å²	141	102 Å²	102	53%	0.532	54%	0.541	S	S	.	.	H	α-helix	trans	-62.4	-40	178.1	-164.9	-177.4	-64.6	107.9	1	111.2	A316 E317 M323 A324	A316-R320 PolarHBondContact O-N 3.37Å; E317-R320 PolarHBondContact O-N 3.45Å; E317-R320 IonicContact OE1-NH1 2.89Å; E317-R320 PolarHBondContact OE1-NH1 2.84Å; E317-R320 IonicContact OE2-CZ 2.81Å; E317-R320 IonicContact OE2-NH1 3.62Å; E317-R320 PolarHBondContact OE2-NH1 3.42Å; R320-M323 PolarHBondContact O-N 2.89Å; R320-A324 VanDerWaalsContact O-CB 3.25Å; R320-A324 WeakPolarHBondContact O-CB 3.48Å; R320-A324 PolarHBondContact O-N 3.46Å
321	E	49.3	Very low	43.7	Very low	137 Å²	137	104 Å²	104	64%	0.64	55%	0.553	S	S	*	*	H	α-helix	trans	-59.8	-46.6	172.7	-76.5	-175.4	160.1	0	0	112	E317 I319 M323 A324	E317-E321 PolarHBondContact O-N 3.1Å; I319-E321 VanDerWaalsContact C-N 3.3Å; I319-E321 PolarHBondContact O-N 3.42Å; E321-M323 PolarHBondContact O-N 3.42Å; E321-A324 PolarHBondContact O-N 3.09Å
322	A	40.9	Very low	42.2	Very low	66 Å²	66	105.1 Å²	105.1	55%	0.545	56%	0.562	S	S	.	*	H	α-helix	trans	-64.7	-39.6	178	0	0	0	0	0	112.5	K318 I319 F325	K318-A322 WeakPolarHBondContact O-CB 3.26Å; K318-A322 PolarHBondContact O-N 3.29Å; K318-A322 VanDerWaalsContact O-N 3.07Å; I319-A322 PolarHBondContact O-N 3.47Å; A322-F325 VanDerWaalsContact O-CB 3.29Å; A322-F325 WeakPolarHBondContact O-CB 3.27Å; A322-F325 PolarHBondContact O-N 2.73Å
323	M	37.1	Very low	40.7	Very low	153 Å²	153	109.8 Å²	109.8	75%	0.754	59%	0.585	S	S	*	*	H	α-helix	trans	-73.9	-25.6	177.5	-69.4	-175.7	75	0	0	113.3	I319 R320 E321 F325	I319-M323 HydrophobicContact CG2-CG 4.24Å; I319-M323 HydrophobicContact CG2-SD 3.89Å; I319-M323 WeakPolarHBondContact O-CB 3.23Å; I319-M323 WeakPolarHBondContact O-CG 3.46Å; I319-M323 PolarHBondContact O-N 3.35Å; R320-M323 PolarHBondContact O-N 2.89Å; E321-M323 PolarHBondContact O-N 3.42Å; M323-F325 PolarHBondContact O-N 2.81Å
324	A	42.1	Very low	39	Very low	74 Å²	74	107.4 Å²	107.4	61%	0.612	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-11.9	174.6	0	0	0	0	0	112.7	R320 E321 K326	R320-A324 VanDerWaalsContact O-CB 3.25Å; R320-A324 WeakPolarHBondContact O-CB 3.48Å; R320-A324 PolarHBondContact O-N 3.46Å; E321-A324 PolarHBondContact O-N 3.09Å; A324-K326 PolarHBondContact O-N 2.67Å
325	F	38.7	Very low	37.6	Very low	142 Å²	142	104.1 Å²	104.1	62%	0.623	57%	0.571	S	S	*	*			trans	-65.4	94.7	171.4	-170.2	-95.9	0	0	0	110	A322 M323 C327	A322-F325 VanDerWaalsContact O-CB 3.29Å; A322-F325 WeakPolarHBondContact O-CB 3.27Å; A322-F325 PolarHBondContact O-N 2.73Å; M323-F325 PolarHBondContact O-N 2.81Å; F325-C327 PolarHBondContact O-N 3.48Å
326	K	35.3	Very low	36.5	Very low	190 Å²	190	108.3 Å²	108.3	83%	0.826	59%	0.589	S	S	*	*			trans	-73.4	114.7	168.7	-70.7	-174.7	178.1	-177	0	108.1	A324	A324-K326 PolarHBondContact O-N 2.67Å
327	C	40.7	Very low	36.1	Very low	70 Å²	70	112.5 Å²	112.5	47%	0.473	60%	0.595	S	S	.	*			trans	-51.9	131.1	166.9	-177	0	0	0	0	108.4	F325 C329	F325-C327 PolarHBondContact O-N 3.48Å; C327-C329 HydrophobicContact CB-CB 4.49Å; C327-C329 WeakPolarHBondContact CB-SG 3.42Å; C327-C329 PolarHBondContact O-N 2.78Å; C327-C329 VanDerWaalsContact O-N 3.13Å; C327-C329 WeakPolarHBondContact SG-CB 3.21Å; C327-C329 PolarHBondContact SG-N 2.8Å; C327-C329 VanDerWaalsContact SG-N 3.4Å; C327-C329 CovalentContact SG-SG 2.06Å; C327-C329 PolarHBondContact SG-SG 3.37Å
328	P	32.2	Very low	34.9	Very low	129 Å²	129	115 Å²	115	84%	0.838	60%	0.601	S	S	*	*	S	Bend	trans	-72	2.8	175.6	28.5	-33.5	0	0	0	113.2
329	C	31.9	Very low	33.9	Very low	80 Å²	80	115.1 Å²	115.1	54%	0.541	60%	0.603	S	S	.	*	S	Bend	trans	-78	147.2	176	55.1	0	0	0	0	111.9	C327	C327-C329 HydrophobicContact CB-CB 4.49Å; C327-C329 WeakPolarHBondContact CB-SG 3.42Å; C327-C329 PolarHBondContact O-N 2.78Å; C327-C329 VanDerWaalsContact O-N 3.13Å; C327-C329 WeakPolarHBondContact SG-CB 3.21Å; C327-C329 PolarHBondContact SG-N 2.8Å; C327-C329 VanDerWaalsContact SG-N 3.4Å; C327-C329 CovalentContact SG-SG 2.06Å; C327-C329 PolarHBondContact SG-SG 3.37Å
330	E	25.4	Very low	33.5	Very low	179 Å²	179	121.3 Å²	121.3	84%	0.836	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-59	140.7	167.4	-84.5	-169.9	159.6	0	0	109.9	I332	E330-I332 PolarHBondContact O-N 3.14Å
331	P	27.2	Very low	32.6	Very low	113 Å²	113	119.3 Å²	119.3	73%	0.734	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-59.2	132.1	178.6	-18.4	29.3	0	0	0	110.5	V333	P331-V333 PolarHBondContact O-N 3.43Å
332	I	26.8	Very low	31.7	Very low	130 Å²	130	121.7 Å²	121.7	67%	0.667	64%	0.642	S	S	*	*			trans	-61.8	106.3	167.9	-60.8	173.2	0	0	0	107.1	E330 I334	E330-I332 PolarHBondContact O-N 3.14Å; I332-I334 HydrophobicContact CG2-CG1 4.08Å; I332-I334 PolarHBondContact O-N 2.96Å
333	V	24.4	Very low	31.3	Very low	127 Å²	127	124 Å²	124	77%	0.77	64%	0.643	S	S	*	*			trans	-76.5	92.7	170.5	-175.6	0	0	0	0	106.9	P331 G335	P331-V333 PolarHBondContact O-N 3.43Å; V333-G335 PolarHBondContact O-N 3.4Å
334	I	25.5	Very low	31.2	Very low	98 Å²	98	120.9 Å²	120.9	50%	0.503	63%	0.63	S	S	.	*			trans	-62.6	121	168.3	-55.8	178.5	0	0	0	106	I332 W337 W338	I332-I334 HydrophobicContact CG2-CG1 4.08Å; I332-I334 PolarHBondContact O-N 2.96Å; I334-W337 HydrophobicContact CG2-CH2 4.41Å; I334-W337 HydrophobicContact CG2-CZ2 3.66Å; I334-W338 PolarHBondContact O-NE1 3.14Å; I334-W338 VanDerWaalsContact O-NE1 3.07Å
335	G	27	Very low	30.9	Very low	33 Å²	33	123.3 Å²	123.3	34%	0.34	63%	0.632	S	S	.	*			trans	-49.6	154.8	-166.5	0	0	0	0	0	114.6	V333 W337	V333-G335 PolarHBondContact O-N 3.4Å; G335-W337 PolarHBondContact O-N 3.17Å; G335-W337 PolarHBondContact O-NE1 2.71Å
336	L	26.6	Very low	30.9	Very low	121 Å²	121	121.7 Å²	121.7	63%	0.634	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-53.4	-8.2	-168.9	-70.6	162.4	0	0	0	116.7	W338 Q339	L336-W338 PolarHBondContact O-N 3.41Å; L336-Q339 WeakPolarHBondContact O-CB 3.13Å; L336-Q339 PolarHBondContact O-N 3.45Å
337	W	35.7	Very low	31	Very low	131 Å²	131	118.6 Å²	118.6	50%	0.496	62%	0.622	S	S	.	*	G	3₁₀ helix	trans	-62	-20.3	178.9	56.9	-93.2	0	0	0	114.3	I334 G335 Q339 E340 I341	I334-W337 HydrophobicContact CG2-CH2 4.41Å; I334-W337 HydrophobicContact CG2-CZ2 3.66Å; G335-W337 PolarHBondContact O-N 3.17Å; G335-W337 PolarHBondContact O-NE1 2.71Å; W337-Q339 PolarHBondContact O-N 2.78Å; W337-E340 PolarHBondContact O-N 3.46Å; W337-I341 HydrophobicContact CZ3-CD1 4.47Å
338	W	27	Very low	30.6	Very low	144 Å²	144	120.2 Å²	120.2	55%	0.545	63%	0.629	S	S	.	*	G	3₁₀ helix	trans	-70.4	-16.2	171.7	66.8	-91.4	0	0	0	113.3	I334 L336 E340	I334-W338 PolarHBondContact O-NE1 3.14Å; I334-W338 VanDerWaalsContact O-NE1 3.07Å; L336-W338 PolarHBondContact O-N 3.41Å; W338-E340 VanDerWaalsContact C-N 3.3Å
339	Q	29.8	Very low	30.4	Very low	126 Å²	126	121 Å²	121	59%	0.589	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-77	-17.4	171.6	-62.2	-177.5	-15.5	0	0	112.5	L336 W337	L336-Q339 WeakPolarHBondContact O-CB 3.13Å; L336-Q339 PolarHBondContact O-N 3.45Å; W337-Q339 PolarHBondContact O-N 2.78Å
340	E	32.1	Very low	30.3	Very low	163 Å²	163	122.6 Å²	122.6	76%	0.762	63%	0.629	S	S	*	*	S	Bend	trans	-87.4	-11.3	177.2	-62.3	-176	175.7	0	0	112.9	W337 W338 E342	W337-E340 PolarHBondContact O-N 3.46Å; W338-E340 VanDerWaalsContact C-N 3.3Å; E340-E342 PolarHBondContact O-N 3.35Å
341	I	29.6	Very low	30.7	Very low	99 Å²	99	117.4 Å²	117.4	51%	0.508	61%	0.609	S	S	.	*	S	Bend	trans	-75	96.7	170.5	-55.6	176	0	0	0	106.3	W337 I343	W337-I341 HydrophobicContact CZ3-CD1 4.47Å; I341-I343 HydrophobicContact CG2-CG1 4.12Å; I341-I343 PolarHBondContact O-N 3.04Å
342	E	29.6	Very low	31.1	Very low	188 Å²	188	115.9 Å²	115.9	88%	0.879	60%	0.6	S	S	*	*			trans	-59.2	91.9	159.3	-78.1	-174.6	169.5	0	0	107.3	E340 D344	E340-E342 PolarHBondContact O-N 3.35Å; E342-D344 VanDerWaalsContact C-N 3.31Å; E342-D344 PolarHBondContact O-N 3.3Å
343	I	33.1	Very low	32	Very low	114 Å²	114	116.7 Å²	116.7	59%	0.585	60%	0.601	S	S	*	*			trans	-64.9	103.7	161.4	-59	174.8	0	0	0	103.6	I341 D345	I341-I343 HydrophobicContact CG2-CG1 4.12Å; I341-I343 PolarHBondContact O-N 3.04Å; I343-D345 VanDerWaalsContact C-N 3.32Å; I343-D345 PolarHBondContact O-N 2.94Å
344	D	35.6	Very low	33.3	Very low	88 Å²	88	118 Å²	118	47%	0.471	60%	0.598	S	S	.	*			trans	-54.1	100.5	170	177.4	1.9	0	0	0	107.5	E342 D346 L347	E342-D344 VanDerWaalsContact C-N 3.31Å; E342-D344 PolarHBondContact O-N 3.3Å; D344-D346 PolarHBondContact O-N 3.46Å; D344-D346 WeakPolarHBondContact OD1-CB 3.34Å; D344-D346 PolarHBondContact OD1-N 3.28Å; D344-L347 HydrophobicContact CB-CD1 3.77Å; D344-L347 WeakPolarHBondContact O-CB 3.43Å; D344-L347 PolarHBondContact O-N 3.44Å
345	D	34.9	Very low	34.9	Very low	124 Å²	124	116.7 Å²	116.7	66%	0.663	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-56.6	-18.3	-175.3	-86.3	-29.6	0	0	0	112	I343 L347 V348	I343-D345 VanDerWaalsContact C-N 3.32Å; I343-D345 PolarHBondContact O-N 2.94Å; D345-L347 PolarHBondContact O-N 2.72Å; D345-V348 PolarHBondContact O-N 2.92Å
346	D	38.3	Very low	35.7	Very low	109 Å²	109	116.7 Å²	116.7	58%	0.583	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-71.2	-15	173.9	-68.4	-26.9	0	0	0	113.2	D344 V348 K349	D344-D346 PolarHBondContact O-N 3.46Å; D344-D346 WeakPolarHBondContact OD1-CB 3.34Å; D344-D346 PolarHBondContact OD1-N 3.28Å; D346-V348 VanDerWaalsContact C-N 3.3Å; D346-K349 IonicContact OD1-NZ 2.74Å; D346-K349 PolarHBondContact OD1-NZ 2.81Å
347	L	37.8	Very low	36.9	Very low	125 Å²	125	115.5 Å²	115.5	65%	0.654	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-72.7	-19.7	171.4	-94.1	111	0	0	0	113.6	D344 D345	D344-L347 HydrophobicContact CB-CD1 3.77Å; D344-L347 WeakPolarHBondContact O-CB 3.43Å; D344-L347 PolarHBondContact O-N 3.44Å; D345-L347 PolarHBondContact O-N 2.72Å
348	V	32.4	Very low	37.8	Very low	103 Å²	103	116 Å²	116	62%	0.624	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-122.8	26.1	-171.6	-159	0	0	0	0	112.2	D345 D346 P350	D345-V348 PolarHBondContact O-N 2.92Å; D346-V348 VanDerWaalsContact C-N 3.3Å; V348-P350 WeakPolarHBondContact O-CD 3.19Å
349	K	27.4	Very low	38.7	Very low	146 Å²	146	113.8 Å²	113.8	64%	0.635	59%	0.586	S	S	*	*			trans	-82.5	104.3	164.8	-74.4	173.6	-174.2	154.6	0	109	D346 V351	D346-K349 IonicContact OD1-NZ 2.74Å; D346-K349 PolarHBondContact OD1-NZ 2.81Å; K349-V351 PolarHBondContact O-N 3.25Å
350	P	29.9	Very low	39.5	Very low	113 Å²	113	111.5 Å²	111.5	73%	0.734	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-56.8	141.7	171.7	23.4	-32.4	0	0	0	109.3	V348 P352	V348-P350 WeakPolarHBondContact O-CD 3.19Å; P350-P352 WeakPolarHBondContact O-CD 3.28Å; P350-P352 VanDerWaalsContact O-N 3.16Å
351	V	34.1	Very low	40.6	Very low	70 Å²	70	106.2 Å²	106.2	42%	0.424	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-53.9	121.9	177	177.5	0	0	0	0	108.3	K349 E353 V355 V356	K349-V351 PolarHBondContact O-N 3.25Å; V351-E353 PolarHBondContact O-N 2.77Å; V351-V355 HydrophobicContact CG1-CB 3.68Å; V351-V355 HydrophobicContact CG1-CG1 3.81Å; V351-V355 HydrophobicContact CG1-CG2 4.44Å; V351-V356 HydrophobicContact CB-CG2 4.39Å; V351-V356 HydrophobicContact CG1-CG2 3.97Å
352	P	35.9	Very low	41.9	Very low	82 Å²	82	106 Å²	106	53%	0.532	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-52.5	136.4	177.8	-27.7	35.1	0	0	0	110.7	P350 E354 V355	P350-P352 WeakPolarHBondContact O-CD 3.28Å; P350-P352 VanDerWaalsContact O-N 3.16Å; P352-E354 PolarHBondContact O-N 3.28Å; P352-V355 WeakPolarHBondContact O-CB 3.5Å; P352-V355 PolarHBondContact O-N 3Å
353	E	45.7	Very low	42.7	Very low	147 Å²	147	103.9 Å²	103.9	69%	0.687	55%	0.548	S	S	*	.	H	α-helix	trans	-52.5	-34.6	-173.4	-174.8	172	-179.6	0	0	112.6	V351 V355 V356 L357	V351-E353 PolarHBondContact O-N 2.77Å; E353-V355 VanDerWaalsContact C-N 3.3Å; E353-V355 PolarHBondContact O-N 3.07Å; E353-V356 WeakPolarHBondContact O-CB 3.25Å; E353-V356 PolarHBondContact O-N 3.04Å; E353-V356 VanDerWaalsContact O-N 3.08Å; E353-L357 HydrophobicContact CG-CD1 3.95Å; E353-L357 HydrophobicContact CG-CG 4.2Å; E353-L357 WeakPolarHBondContact O-CG 3.22Å; E353-L357 PolarHBondContact O-N 3.08Å
354	E	52.2	Low	43.2	Very low	154 Å²	154	104.4 Å²	104.4	72%	0.72	55%	0.552	S	S	*	*	H	α-helix	trans	-56.5	-38.8	176.1	-61.6	167.8	-159.4	0	0	113.4	P352 L357 K358	P352-E354 PolarHBondContact O-N 3.28Å; E354-L357 PolarHBondContact O-N 3.39Å; E354-K358 WeakPolarHBondContact O-CB 3.32Å; E354-K358 PolarHBondContact O-N 3.42Å
355	V	57.5	Low	43.6	Very low	70 Å²	70	106.4 Å²	106.4	42%	0.424	56%	0.563	S	S	.	*	H	α-helix	trans	-70.7	-38.9	177.5	178.7	0	0	0	0	110	V351 P352 E353 K358 L359	V351-V355 HydrophobicContact CG1-CB 3.68Å; V351-V355 HydrophobicContact CG1-CG1 3.81Å; V351-V355 HydrophobicContact CG1-CG2 4.44Å; P352-V355 WeakPolarHBondContact O-CB 3.5Å; P352-V355 PolarHBondContact O-N 3Å; E353-V355 VanDerWaalsContact C-N 3.3Å; E353-V355 PolarHBondContact O-N 3.07Å; V355-K358 PolarHBondContact O-N 3.06Å; V355-L359 HydrophobicContact CG1-CD1 4.28Å; V355-L359 VanDerWaalsContact O-CG 3.24Å; V355-L359 WeakPolarHBondContact O-CG 3.33Å; V355-L359 PolarHBondContact O-N 3.32Å
356	V	45.1	Very low	43.8	Very low	34 Å²	34	107.5 Å²	107.5	21%	0.206	56%	0.564	C	S	.	*	H	α-helix	trans	-66.4	-41.6	175.7	-179	0	0	0	0	110.8	V351 E353 L359 I360	V351-V356 HydrophobicContact CB-CG2 4.39Å; V351-V356 HydrophobicContact CG1-CG2 3.97Å; E353-V356 WeakPolarHBondContact O-CB 3.25Å; E353-V356 PolarHBondContact O-N 3.04Å; E353-V356 VanDerWaalsContact O-N 3.08Å; V356-L359 PolarHBondContact O-N 2.95Å; V356-I360 HydrophobicContact CG1-CD1 3.99Å; V356-I360 VanDerWaalsContact O-CG1 3.29Å; V356-I360 WeakPolarHBondContact O-CG1 3.46Å; V356-I360 PolarHBondContact O-N 3.39Å
357	L	51.1	Low	43.5	Very low	96 Å²	96	110.6 Å²	110.6	50%	0.503	58%	0.58	S	S	.	*	H	α-helix	trans	-67.4	-37.7	177.6	-70.8	173.1	0	0	0	111.7	E353 E354 I360 A361	E353-L357 HydrophobicContact CG-CD1 3.95Å; E353-L357 HydrophobicContact CG-CG 4.2Å; E353-L357 WeakPolarHBondContact O-CG 3.22Å; E353-L357 PolarHBondContact O-N 3.08Å; E354-L357 PolarHBondContact O-N 3.39Å; L357-I360 PolarHBondContact O-N 2.95Å; L357-A361 WeakPolarHBondContact O-CB 3.24Å; L357-A361 PolarHBondContact O-N 2.98Å
358	K	53.9	Low	43	Very low	141 Å²	141	108.7 Å²	108.7	61%	0.613	58%	0.582	S	S	*	*	H	α-helix	trans	-60.7	-47.7	170.2	-86	-173.9	175.8	-178	0	112	E354 V355 I360 A361 E362	E354-K358 WeakPolarHBondContact O-CB 3.32Å; E354-K358 PolarHBondContact O-N 3.42Å; V355-K358 PolarHBondContact O-N 3.06Å; K358-I360 VanDerWaalsContact C-N 3.28Å; K358-I360 PolarHBondContact O-N 3.13Å; K358-A361 CarbonylContact O-C 3.59Å; K358-A361 WeakPolarHBondContact O-CA 3.03Å; K358-A361 WeakPolarHBondContact O-CB 3.43Å; K358-A361 PolarHBondContact O-N 3.32Å; K358-E362 WeakPolarHBondContact O-CB 3.5Å; K358-E362 VanDerWaalsContact O-CG 3.29Å; K358-E362 WeakPolarHBondContact O-CG 3.38Å; K358-E362 PolarHBondContact O-N 3.4Å
359	L	46	Very low	42.7	Very low	98 Å²	98	107.6 Å²	107.6	51%	0.513	59%	0.593	S	S	.	*	H	α-helix	trans	-61.4	-36.8	178.4	-70	167.9	0	0	0	112.4	V355 V356 E363	V355-L359 HydrophobicContact CG1-CD1 4.28Å; V355-L359 VanDerWaalsContact O-CG 3.24Å; V355-L359 WeakPolarHBondContact O-CG 3.33Å; V355-L359 PolarHBondContact O-N 3.32Å; V356-L359 PolarHBondContact O-N 2.95Å; L359-E363 WeakPolarHBondContact O-CB 3.44Å; L359-E363 PolarHBondContact O-N 3.01Å
360	I	46.9	Very low	42.5	Very low	78 Å²	78	104.3 Å²	104.3	40%	0.4	60%	0.6	S	S	.	*	H	α-helix	trans	-70.8	-35.8	174.2	-67.1	167.1	0	0	0	111.1	V356 L357 K358 N364	V356-I360 HydrophobicContact CG1-CD1 3.99Å; V356-I360 VanDerWaalsContact O-CG1 3.29Å; V356-I360 WeakPolarHBondContact O-CG1 3.46Å; V356-I360 PolarHBondContact O-N 3.39Å; L357-I360 PolarHBondContact O-N 2.95Å; K358-I360 VanDerWaalsContact C-N 3.28Å; K358-I360 PolarHBondContact O-N 3.13Å; I360-N364 PolarHBondContact O-N 3.31Å; I360-N364 PolarHBondContact O-ND2 3.16Å
361	A	56.2	Low	42.3	Very low	51 Å²	51	104.1 Å²	104.1	42%	0.421	60%	0.601	S	S	.	*	H	α-helix	trans	-69.9	-36.4	176	0	0	0	0	0	111.9	L357 K358 N364 N365	L357-A361 WeakPolarHBondContact O-CB 3.24Å; L357-A361 PolarHBondContact O-N 2.98Å; K358-A361 CarbonylContact O-C 3.59Å; K358-A361 WeakPolarHBondContact O-CA 3.03Å; K358-A361 WeakPolarHBondContact O-CB 3.43Å; K358-A361 PolarHBondContact O-N 3.32Å; A361-N364 PolarHBondContact O-N 2.98Å; A361-N365 WeakPolarHBondContact O-CB 3.29Å; A361-N365 PolarHBondContact O-N 3.3Å
362	E	55.5	Low	41.8	Very low	94 Å²	94	109 Å²	109	44%	0.439	62%	0.62	S	S	.	*	H	α-helix	trans	-66.4	-45.1	173.6	-72.3	163.4	-168.4	0	0	110.5	K358 N364 N365 E366	K358-E362 WeakPolarHBondContact O-CB 3.5Å; K358-E362 VanDerWaalsContact O-CG 3.29Å; K358-E362 WeakPolarHBondContact O-CG 3.38Å; K358-E362 PolarHBondContact O-N 3.4Å; E362-N364 PolarHBondContact O-N 3.42Å; E362-N365 PolarHBondContact O-N 3.15Å; E362-E366 WeakPolarHBondContact O-CG 3.36Å; E362-E366 PolarHBondContact O-N 2.97Å; E362-E366 VanDerWaalsContact O-N 3.11Å
363	E	46.8	Very low	41.3	Very low	145 Å²	145	110.8 Å²	110.8	68%	0.678	63%	0.634	S	S	*	*	H	α-helix	trans	-62.4	-27.5	176.9	-165.6	173.8	-151	0	0	112.8	L359	L359-E363 WeakPolarHBondContact O-CB 3.44Å; L359-E363 PolarHBondContact O-N 3.01Å
364	N	43.9	Very low	40.4	Very low	124 Å²	124	107.9 Å²	107.9	66%	0.663	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-10.5	176	-73.2	-53.3	0	0	0	114.4	I360 A361 E362	I360-N364 PolarHBondContact O-N 3.31Å; I360-N364 PolarHBondContact O-ND2 3.16Å; A361-N364 PolarHBondContact O-N 2.98Å; E362-N364 PolarHBondContact O-N 3.42Å
365	N	43.4	Very low	39	Very low	131 Å²	131	105.1 Å²	105.1	70%	0.701	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	5	-176.3	-90.3	-23.3	0	0	0	114.7	A361 E362 D367	A361-N365 WeakPolarHBondContact O-CB 3.29Å; A361-N365 PolarHBondContact O-N 3.3Å; E362-N365 PolarHBondContact O-N 3.15Å; N365-D367 PolarHBondContact O-N 2.98Å; N365-D367 VanDerWaalsContact O-N 3.13Å
366	E	38.7	Very low	37.4	Very low	146 Å²	146	110.4 Å²	110.4	68%	0.682	66%	0.659	S	S	*	*			trans	-79.6	17.7	179.7	-84.4	-174.1	175.3	0	0	115.8	E362 A368	E362-E366 WeakPolarHBondContact O-CG 3.36Å; E362-E366 PolarHBondContact O-N 2.97Å; E362-E366 VanDerWaalsContact O-N 3.11Å; E366-A368 PolarHBondContact O-N 3.15Å
367	D	32.4	Very low	36.5	Very low	174 Å²	174	113.5 Å²	113.5	93%	0.93	68%	0.682	S	S	*	*	S	Bend	trans	-88.2	52.2	152.1	-85.7	-27.2	0	0	0	110.5	N365	N365-D367 PolarHBondContact O-N 2.98Å; N365-D367 VanDerWaalsContact O-N 3.13Å
368	A	28.3	Very low	35.8	Very low	85 Å²	85	116 Å²	116	70%	0.702	70%	0.701	S	S	*	*	S	Bend	trans	174.6	108.5	154.4	0	0	0	0	0	112.7	E366	E366-A368 PolarHBondContact O-N 3.15Å
369	G	25.3	Very low	34.4	Very low	81 Å²	81	113.2 Å²	113.2	84%	0.835	70%	0.704	S	S	*	*			trans	71.3	106.6	134.6	0	0	0	0	0	120.3
370	G	22.6	Very low	33.4	Very low	77 Å²	77	117.2 Å²	117.2	79%	0.794	72%	0.72	S	S	*	*				85.9	122.4	110.1	0	0	0	0	0	120.6
371	S	26.5	Very low	32.6	Very low	109 Å²	109	122.3 Å²	122.3	76%	0.762	74%	0.742	S	S	*	*			trans	92.5	111.5	140.3	-68.9	0	0	0	0	122.2
372	E	24.2	Very low	31.3	Very low	173 Å²	173	126.4 Å²	126.4	81%	0.808	76%	0.756	S	S	*	*				67.5	132.3	117.9	-71.2	-177.6	150.1	0	0	124.9
373	S	24.9	Very low	30	Very low	119 Å²	119	126.9 Å²	126.9	83%	0.832	77%	0.77	S	S	*	*			trans	74.3	153.5	143.6	80.8	0	0	0	0	117.1
374	A	26.5	Very low	29.3	Very low	85 Å²	85	125.8 Å²	125.8	70%	0.702	77%	0.773	S	S	*	*			cis	-159.3	141.4	10.4	0	0	0	0	0	106.1
375	A	23.3	Very low	29.2	Very low	96 Å²	96	125 Å²	125	79%	0.793	78%	0.775	S	S	*	*				61.6	149.1	89.1	0	0	0	0	0	117.6
376	E	24.8	Very low	29	Very low	182 Å²	182	121.8 Å²	121.8	85%	0.85	76%	0.763	S	S	*	*			trans	89.6	112.8	169.1	-72.4	179.3	138.9	0	0	118.1
377	S	24.7	Very low	29.6	Very low	99 Å²	99	120.5 Å²	120.5	69%	0.692	77%	0.765	S	S	*	*				88.5	122.6	59.9	82	0	0	0	0	112.3
378	V	36.2	Very low	30.5	Very low	148 Å²	148	118 Å²	118	90%	0.897	76%	0.756	S	S	*	*			trans	-153.6	119.3	141.2	180	0	0	0	0	106.9
379	A	24.9	Very low	31.6	Very low	82 Å²	82	116.7 Å²	116.7	68%	0.678	75%	0.745	S	S	*	*			trans	-89.5	169.7	168	0	0	0	0	0	110.1
380	E	26.2	Very low	33.1	Very low	182 Å²	182	118 Å²	118	85%	0.85	73%	0.729	S	S	*	*			trans	97.7	112.6	140.5	-147.3	152.3	-145.5	0	0	118.4
381	E	29.9	Very low	34.8	Very low	185 Å²	185	123.2 Å²	123.2	86%	0.864	73%	0.725	S	S	*	*			trans	176	146.5	137.6	-97.9	-171.8	175.7	0	0	106.4
382	L	27.9	Very low	36.7	Very low	138 Å²	138	120.5 Å²	120.5	72%	0.723	71%	0.709	S	S	*	*			cis	-171.2	143	-26.8	-156.3	84.9	0	0	0	104.2
383	S	29.4	Very low	39	Very low	104 Å²	104	114.5 Å²	114.5	73%	0.727	69%	0.688	S	S	*	*			trans	71	138.6	148.6	-59.9	0	0	0	0	123.6
384	T	30.9	Very low	41.7	Very low	122 Å²	122	111.2 Å²	111.2	75%	0.748	67%	0.666	S	S	*	*			trans	-60.9	174.8	173.2	52.7	0	0	0	0	114.1
385	P	42.6	Very low	44.3	Very low	107 Å²	107	111.6 Å²	111.6	70%	0.695	66%	0.659	S	S	*	*			cis	-139.7	155.6	18.3	40.3	-20.8	0	0	0	117.7
386	S	38.5	Very low	47.4	Very low	64 Å²	64	111.9 Å²	111.9	45%	0.448	65%	0.647	S	S	.	*			trans	179.1	94.5	139.8	-87.3	0	0	0	0	110.6	V388 A389 H390	S386-V388 PolarHBondContact O-N 3.32Å; S386-V388 VanDerWaalsContact O-N 3.13Å; S386-A389 PolarHBondContact O-N 3.39Å; S386-H390 PolarHBondContact N-CD2 3Å; S386-H390 VanDerWaalsContact O-CB 3.29Å; S386-H390 WeakPolarHBondContact O-CB 3.34Å; S386-H390 PolarHBondContact O-CD2 3.38Å; S386-H390 VanDerWaalsContact O-CG 3.29Å; S386-H390 PolarHBondContact O-N 3.41Å
387	T	52.5	Low	50.5	Low	119 Å²	119	111 Å²	111	73%	0.73	64%	0.636	S	S	*	*	H	α-helix	trans	-59.8	-23.1	-176	18.5	0	0	0	0	114.6	R391	T387-R391 WeakPolarHBondContact O-CG 3.33Å
388	V	49.5	Very low	53.8	Low	122 Å²	122	109.5 Å²	109.5	74%	0.739	62%	0.623	S	S	*	*	H	α-helix	trans	-89.2	-45.7	176.9	-176.2	0	0	0	0	111.4	S386 H390 R391 A392	S386-V388 PolarHBondContact O-N 3.32Å; S386-V388 VanDerWaalsContact O-N 3.13Å; V388-H390 PolarHBondContact O-N 3.36Å; V388-R391 PolarHBondContact O-N 3.41Å; V388-A392 PolarHBondContact O-N 3.24Å
389	A	52.1	Low	56.5	Low	57 Å²	57	109 Å²	109	47%	0.471	61%	0.608	S	S	.	*	H	α-helix	trans	-65.9	-37.6	176.4	0	0	0	0	0	111.9	S386 R391 A392 A393	S386-A389 PolarHBondContact O-N 3.39Å; A389-R391 VanDerWaalsContact C-N 3.31Å; A389-R391 PolarHBondContact O-N 2.79Å; A389-A392 PolarHBondContact O-N 3.49Å; A389-A393 WeakPolarHBondContact O-CB 3.37Å; A389-A393 PolarHBondContact O-N 3.06Å
390	H	56.7	Low	59.8	Low	107 Å²	107	108.5 Å²	108.5	50%	0.495	59%	0.593	S	S	.	*	H	α-helix	trans	-64	-35.8	173.1	-73.6	-50.6	0	0	0	112.1	S386 V388 S394	S386-H390 PolarHBondContact N-CD2 3Å; S386-H390 VanDerWaalsContact O-CB 3.29Å; S386-H390 WeakPolarHBondContact O-CB 3.34Å; S386-H390 PolarHBondContact O-CD2 3.38Å; S386-H390 VanDerWaalsContact O-CG 3.29Å; S386-H390 PolarHBondContact O-N 3.41Å; V388-H390 PolarHBondContact O-N 3.36Å; H390-S394 WeakPolarHBondContact O-CA 3.46Å; H390-S394 WeakPolarHBondContact O-CB 3.23Å; H390-S394 PolarHBondContact O-N 2.82Å; H390-S394 PolarHBondContact O-OG 2.76Å
391	R	58.5	Low	63.2	Low	188 Å²	188	102.7 Å²	102.7	71%	0.709	57%	0.566	S	S	*	*	H	α-helix	trans	-66.4	-50.9	174.5	-81.1	179.8	179.5	-179.6	1.6	110.9	T387 V388 A389 S394 V395	T387-R391 WeakPolarHBondContact O-CG 3.33Å; V388-R391 PolarHBondContact O-N 3.41Å; A389-R391 VanDerWaalsContact C-N 3.31Å; A389-R391 PolarHBondContact O-N 2.79Å; R391-S394 WeakPolarHBondContact CA-OG 3.29Å; R391-S394 PolarHBondContact O-N 2.94Å; R391-S394 VanDerWaalsContact O-N 3.17Å; R391-S394 PolarHBondContact O-OG 3.09Å; R391-V395 WeakPolarHBondContact O-CG2 3.38Å; R391-V395 PolarHBondContact O-N 2.93Å
392	A	65.7	Low	66.4	Low	52 Å²	52	100 Å²	100	43%	0.43	55%	0.552	S	S	.	*	H	α-helix	trans	-57.6	-51.6	176.2	0	0	0	0	0	111.6	V388 A389 S394 V395 D396	V388-A392 PolarHBondContact O-N 3.24Å; A389-A392 PolarHBondContact O-N 3.49Å; A392-S394 VanDerWaalsContact C-N 3.26Å; A392-S394 PolarHBondContact O-N 3.36Å; A392-V395 PolarHBondContact O-N 3.1Å; A392-D396 PolarHBondContact O-N 3.47Å
393	A	74	Confident	69.7	Low	46 Å²	46	95.4 Å²	95.4	38%	0.38	53%	0.528	S	S	.	.	H	α-helix	trans	-61.3	-32.3	176.9	0	0	0	0	0	112.8	A389 R397	A389-A393 WeakPolarHBondContact O-CB 3.37Å; A389-A393 PolarHBondContact O-N 3.06Å; A393-R397 WeakPolarHBondContact O-CB 3.48Å; A393-R397 PolarHBondContact O-N 3.41Å
394	S	81.1	Confident	73	Confident	51 Å²	51	90.5 Å²	90.5	36%	0.357	49%	0.494	S	S	.	.	H	α-helix	trans	-70.7	-38.2	174.4	73.7	0	0	0	0	112.2	H390 R391 A392 T398	H390-S394 WeakPolarHBondContact O-CA 3.46Å; H390-S394 WeakPolarHBondContact O-CB 3.23Å; H390-S394 PolarHBondContact O-N 2.82Å; H390-S394 PolarHBondContact O-OG 2.76Å; R391-S394 WeakPolarHBondContact CA-OG 3.29Å; R391-S394 PolarHBondContact O-N 2.94Å; R391-S394 VanDerWaalsContact O-N 3.17Å; R391-S394 PolarHBondContact O-OG 3.09Å; A392-S394 VanDerWaalsContact C-N 3.26Å; A392-S394 PolarHBondContact O-N 3.36Å; S394-T398 WeakPolarHBondContact O-CB 3.35Å; S394-T398 PolarHBondContact O-N 3Å; S394-T398 PolarHBondContact O-OG1 3.37Å
395	V	81.3	Confident	76.2	Confident	93 Å²	93	86.1 Å²	86.1	56%	0.564	47%	0.466	S	S	*	.	H	α-helix	trans	-68	-47.4	176.6	173	0	0	0	0	109.7	R391 A392 R397 T398 K399	R391-V395 WeakPolarHBondContact O-CG2 3.38Å; R391-V395 PolarHBondContact O-N 2.93Å; A392-V395 PolarHBondContact O-N 3.1Å; V395-R397 PolarHBondContact O-N 3.34Å; V395-T398 PolarHBondContact O-N 2.68Å; V395-T398 VanDerWaalsContact O-N 3.16Å; V395-K399 WeakPolarHBondContact O-CB 3.3Å; V395-K399 PolarHBondContact O-N 3.26Å
396	D	88.3	Confident	78.8	Confident	102 Å²	102	85.7 Å²	85.7	55%	0.545	46%	0.457	S	S	.	.	H	α-helix	trans	-63.2	-42	177.6	-71.2	-28.6	0	0	0	111.7	A392 T398 K399 M400	A392-D396 PolarHBondContact O-N 3.47Å; D396-T398 VanDerWaalsContact C-N 3.33Å; D396-T398 PolarHBondContact O-N 3.25Å; D396-K399 PolarHBondContact O-N 3.01Å; D396-M400 VanDerWaalsContact O-CB 3.31Å; D396-M400 WeakPolarHBondContact O-CB 3.46Å; D396-M400 PolarHBondContact O-N 3.04Å
397	R	89.9	Confident	81.6	Confident	164 Å²	164	82.7 Å²	82.7	62%	0.619	44%	0.436	S	S	*	.	H	α-helix	trans	-62.9	-39.9	174.2	-166.7	-165.4	-47.4	176.2	2.6	111.7	A393 V395 M400 M401	A393-R397 WeakPolarHBondContact O-CB 3.48Å; A393-R397 PolarHBondContact O-N 3.41Å; V395-R397 PolarHBondContact O-N 3.34Å; R397-M400 PolarHBondContact O-N 2.87Å; R397-M401 VanDerWaalsContact O-CB 3.28Å; R397-M401 WeakPolarHBondContact O-CB 3.49Å; R397-M401 PolarHBondContact O-N 3.44Å
398	T	92.8	Very high	83.8	Confident	66 Å²	66	77 Å²	77	41%	0.405	40%	0.401	S	S	.	.	H	α-helix	trans	-67.5	-40.5	177.3	-57.8	0	0	0	0	111.3	S394 V395 D396 K402	S394-T398 WeakPolarHBondContact O-CB 3.35Å; S394-T398 PolarHBondContact O-N 3Å; S394-T398 PolarHBondContact O-OG1 3.37Å; V395-T398 PolarHBondContact O-N 2.68Å; V395-T398 VanDerWaalsContact O-N 3.16Å; D396-T398 VanDerWaalsContact C-N 3.33Å; D396-T398 PolarHBondContact O-N 3.25Å; T398-K402 WeakPolarHBondContact O-CG 3.48Å; T398-K402 PolarHBondContact O-N 3.22Å; T398-K402 VanDerWaalsContact O-N 3.09Å
399	K	93.6	Very high	86.2	Confident	137 Å²	137	73.5 Å²	73.5	60%	0.596	38%	0.378	S	S	*	.	H	α-helix	trans	-63.1	-48.7	174.3	-173.1	-177.8	178.8	-173.7	0	110.8	V395 D396 M401 K402 N403	V395-K399 WeakPolarHBondContact O-CB 3.3Å; V395-K399 PolarHBondContact O-N 3.26Å; D396-K399 PolarHBondContact O-N 3.01Å; K399-M401 PolarHBondContact O-N 2.66Å; K399-K402 PolarHBondContact O-N 2.91Å; K399-N403 PolarHBondContact O-N 3.2Å
400	M	95.1	Very high	88.4	Confident	72 Å²	72	72.2 Å²	72.2	36%	0.355	36%	0.363	S	S	.	.	H	α-helix	trans	-60.3	-44.6	177	-171.5	61	68.1	0	0	111.6	D396 R397 K402 N403 L404 S453	D396-M400 VanDerWaalsContact O-CB 3.31Å; D396-M400 WeakPolarHBondContact O-CB 3.46Å; D396-M400 PolarHBondContact O-N 3.04Å; R397-M400 PolarHBondContact O-N 2.87Å; M400-K402 VanDerWaalsContact C-N 3.33Å; M400-K402 PolarHBondContact O-N 3.08Å; M400-N403 WeakPolarHBondContact O-CB 3.48Å; M400-N403 PolarHBondContact O-N 2.9Å; M400-L404 HydrophobicContact CG-CD1 4.11Å; M400-L404 HydrophobicContact CG-CG 4.38Å; M400-L404 VanDerWaalsContact O-CG 3.25Å; M400-L404 WeakPolarHBondContact O-CG 3.41Å; M400-L404 PolarHBondContact O-N 2.95Å; M400-L404 HydrophobicContact SD-CG 4.48Å; M400-S453 VanDerWaalsContact CG-O 3.26Å; M400-S453 WeakPolarHBondContact CG-O 3.44Å
401	M	97.2	Very high	90.3	Very high	60 Å²	60	67.1 Å²	67.1	30%	0.296	34%	0.34	S	S	.	.	H	α-helix	trans	-57.7	-44.7	175.9	-176.2	-171.3	69.4	0	0	111.8	R397 K399 L404 L405 I447	R397-M401 VanDerWaalsContact O-CB 3.28Å; R397-M401 WeakPolarHBondContact O-CB 3.49Å; R397-M401 PolarHBondContact O-N 3.44Å; K399-M401 PolarHBondContact O-N 2.66Å; M401-L404 PolarHBondContact O-N 2.87Å; M401-L405 HydrophobicContact CG-CD1 4.31Å; M401-L405 VanDerWaalsContact O-CG 3.32Å; M401-L405 WeakPolarHBondContact O-CG 3.45Å; M401-L405 PolarHBondContact O-N 2.74Å; M401-I447 HydrophobicContact CG-CG2 3.86Å
402	K	97.2	Very high	92.2	Very high	129 Å²	129	60.2 Å²	60.2	56%	0.561	31%	0.314	S	S	*	.	H	α-helix	trans	-61.9	-44.6	176	-73	177.5	179.6	-177	0	111.6	T398 K399 M400 L404 L405 L406	T398-K402 WeakPolarHBondContact O-CG 3.48Å; T398-K402 PolarHBondContact O-N 3.22Å; T398-K402 VanDerWaalsContact O-N 3.09Å; K399-K402 PolarHBondContact O-N 2.91Å; M400-K402 VanDerWaalsContact C-N 3.33Å; M400-K402 PolarHBondContact O-N 3.08Å; K402-L404 PolarHBondContact O-N 3.26Å; K402-L405 PolarHBondContact O-N 3.4Å; K402-L406 WeakPolarHBondContact O-CG 3.46Å; K402-L406 PolarHBondContact O-N 2.79Å
403	N	96.6	Very high	93.8	Very high	42 Å²	42	65.3 Å²	65.3	23%	0.225	33%	0.329	C	S	.	.	H	α-helix	trans	-59.1	-44.2	176.7	-78.3	5.7	0	0	0	112.3	K399 M400 L406 L407 M501	K399-N403 PolarHBondContact O-N 3.2Å; M400-N403 WeakPolarHBondContact O-CB 3.48Å; M400-N403 PolarHBondContact O-N 2.9Å; N403-L406 PolarHBondContact O-N 3.13Å; N403-L407 WeakPolarHBondContact O-CG 3.28Å; N403-L407 PolarHBondContact O-N 2.76Å; N403-M501 HydrophobicContact CB-CE 3.62Å; N403-M501 VanDerWaalsContact CG-CE 3.44Å; N403-M501 WeakPolarHBondContact ND2-CE 3.38Å
404	L	98.5	Very high	94.9	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-66.6	-37	177.1	-65.2	172	0	0	0	112.5	M400 M401 K402 L407 L408 I447 I452 S454 I455 L458	M400-L404 HydrophobicContact CG-CD1 4.11Å; M400-L404 HydrophobicContact CG-CG 4.38Å; M400-L404 VanDerWaalsContact O-CG 3.25Å; M400-L404 WeakPolarHBondContact O-CG 3.41Å; M400-L404 PolarHBondContact O-N 2.95Å; M400-L404 HydrophobicContact SD-CG 4.48Å; M401-L404 PolarHBondContact O-N 2.87Å; K402-L404 PolarHBondContact O-N 3.26Å; L404-L407 PolarHBondContact O-N 2.74Å; L404-L408 WeakPolarHBondContact O-CB 3.25Å; L404-L408 PolarHBondContact O-N 2.95Å; L404-I447 HydrophobicContact CB-CD1 4.08Å; L404-I447 HydrophobicContact CB-CG1 4.28Å; L404-I447 HydrophobicContact CB-CG2 3.9Å; L404-I447 HydrophobicContact CD1-CG2 4.4Å; L404-I452 HydrophobicContact CD1-CG2 4.38Å; L404-I452 WeakPolarHBondContact CD1-O 3.21Å; L404-S454 VanDerWaalsContact CD2-C 3.49Å; L404-S454 WeakPolarHBondContact CD2-O 3.48Å; L404-I455 HydrophobicContact CD2-CG1 4.06Å; L404-L458 HydrophobicContact CB-CD2 4.22Å; L404-L458 HydrophobicContact CD2-CB 4.03Å; L404-L458 HydrophobicContact CD2-CD2 3.93Å; L404-L458 WeakPolarHBondContact O-CD2 3.14Å
405	L	98.3	Very high	95.6	Very high	30 Å²	30	69.2 Å²	69.2	16%	0.157	33%	0.331	C	S	.	.	H	α-helix	trans	-66	-42.5	174.7	-71.1	172.1	0	0	0	111.4	M401 K402 L407 L408 D409 K444 I447	M401-L405 HydrophobicContact CG-CD1 4.31Å; M401-L405 VanDerWaalsContact O-CG 3.32Å; M401-L405 WeakPolarHBondContact O-CG 3.45Å; M401-L405 PolarHBondContact O-N 2.74Å; K402-L405 PolarHBondContact O-N 3.4Å; L405-L407 VanDerWaalsContact C-N 3.34Å; L405-L407 PolarHBondContact O-N 3.05Å; L405-L408 CarbonylContact O-C 3.59Å; L405-L408 PolarHBondContact O-N 3.21Å; L405-L408 VanDerWaalsContact O-N 3.16Å; L405-D409 PolarHBondContact O-N 2.75Å; L405-K444 HydrophobicContact CD2-CG 3.99Å; L405-I447 HydrophobicContact CD2-CB 4.37Å; L405-I447 HydrophobicContact CD2-CD1 4.28Å; L405-I447 HydrophobicContact CD2-CG2 3.99Å; L405-I447 HydrophobicContact CG-CG2 3.94Å
406	L	97.3	Very high	96.3	Very high	97 Å²	97	65.2 Å²	65.2	51%	0.508	31%	0.307	S	S	.	.	H	α-helix	trans	-61.9	-40.4	175.2	-71.6	171.4	0	0	0	112.3	K402 N403 D409	K402-L406 WeakPolarHBondContact O-CG 3.46Å; K402-L406 PolarHBondContact O-N 2.79Å; N403-L406 PolarHBondContact O-N 3.13Å; L406-D409 PolarHBondContact O-N 2.94Å
407	L	98.5	Very high	96.7	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-67.2	-36.4	174.1	-73.5	171.5	0	0	0	112.2	N403 L404 L405 D409 I410 I455 L458 F494 R497 V498 M501	N403-L407 WeakPolarHBondContact O-CG 3.28Å; N403-L407 PolarHBondContact O-N 2.76Å; L404-L407 PolarHBondContact O-N 2.74Å; L405-L407 VanDerWaalsContact C-N 3.34Å; L405-L407 PolarHBondContact O-N 3.05Å; L407-D409 VanDerWaalsContact C-N 3.31Å; L407-I410 HydrophobicContact CD2-CD1 4.36Å; L407-I410 WeakPolarHBondContact O-CB 3.26Å; L407-I410 WeakPolarHBondContact O-CG1 3.45Å; L407-I455 HydrophobicContact CD1-CD1 4.07Å; L407-I455 HydrophobicContact CD1-CG1 3.81Å; L407-I455 HydrophobicContact CD1-CG2 4.24Å; L407-L458 HydrophobicContact CB-CD2 3.81Å; L407-F494 HydrophobicContact CB-CD2 4.09Å; L407-F494 HydrophobicContact CB-CE2 3.78Å; L407-F494 HydrophobicContact CD1-CE2 4.17Å; L407-F494 HydrophobicContact CD1-CZ 4.3Å; L407-F494 HydrophobicContact CD2-CD2 4.34Å; L407-F494 HydrophobicContact CD2-CE2 4.39Å; L407-F494 HydrophobicContact CG-CE2 4.35Å; L407-R497 HydrophobicContact CD2-CB 3.78Å; L407-R497 HydrophobicContact CD2-CG 3.62Å; L407-V498 HydrophobicContact CD1-CG2 3.91Å; L407-V498 HydrophobicContact CD2-CG2 3.81Å; L407-M501 HydrophobicContact CD1-SD 4.22Å; L407-M501 HydrophobicContact CD2-SD 3.99Å; L407-M501 HydrophobicContact CG-SD 4.08Å
408	L	98.6	Very high	97.1	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-69.7	-29.6	175.4	-177.6	62.3	0	0	0	112.1	L404 L405 I410 A411 Y412 L440 I443 K444 I447 L458 L462	L404-L408 WeakPolarHBondContact O-CB 3.25Å; L404-L408 PolarHBondContact O-N 2.95Å; L405-L408 CarbonylContact O-C 3.59Å; L405-L408 PolarHBondContact O-N 3.21Å; L405-L408 VanDerWaalsContact O-N 3.16Å; L408-I410 PolarHBondContact O-N 3.06Å; L408-A411 HydrophobicContact CD1-CB 4.48Å; L408-A411 WeakPolarHBondContact O-CB 3.37Å; L408-A411 PolarHBondContact O-N 3.4Å; L408-Y412 HydrophobicContact CD2-CE2 3.96Å; L408-Y412 HydrophobicContact CG-CD2 4.07Å; L408-Y412 HydrophobicContact CG-CE2 3.93Å; L408-Y412 PolarHBondContact O-N 3.26Å; L408-L440 HydrophobicContact CD1-CD2 3.87Å; L408-I443 HydrophobicContact CD1-CB 4.44Å; L408-I443 HydrophobicContact CD1-CG2 3.86Å; L408-I443 HydrophobicContact CD2-CB 4.41Å; L408-I443 HydrophobicContact CD2-CG2 3.95Å; L408-K444 HydrophobicContact CD2-CB 3.8Å; L408-K444 HydrophobicContact CD2-CG 4.32Å; L408-I447 HydrophobicContact CB-CD1 4.21Å; L408-I447 HydrophobicContact CD2-CD1 3.74Å; L408-L458 HydrophobicContact CD1-CD1 4.3Å; L408-L462 HydrophobicContact CD1-CD2 4.06Å
409	D	98.2	Very high	97.2	Very high	47 Å²	47	59.3 Å²	59.3	25%	0.251	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-28.1	-179.8	-72.3	-27.8	0	0	0	112	L405 L406 L407 A411 Y412 E413	L405-D409 PolarHBondContact O-N 2.75Å; L406-D409 PolarHBondContact O-N 2.94Å; L407-D409 VanDerWaalsContact C-N 3.31Å; D409-A411 PolarHBondContact O-N 2.77Å; D409-Y412 CarbonylContact O-C 3.54Å; D409-Y412 WeakPolarHBondContact O-CA 3.25Å; D409-Y412 PolarHBondContact O-N 3.47Å; D409-E413 WeakPolarHBondContact O-CG 3.14Å; D409-E413 PolarHBondContact O-N 3.46Å
410	I	98.3	Very high	97.4	Very high	31 Å²	31	53.3 Å²	53.3	16%	0.159	26%	0.258	C	S	.	.	H	α-helix	trans	-50.2	-43.4	169.6	-60.9	172.8	0	0	0	111.3	L407 L408 H414 V490 A493 F494 R497	L407-I410 HydrophobicContact CD2-CD1 4.36Å; L407-I410 WeakPolarHBondContact O-CB 3.26Å; L407-I410 WeakPolarHBondContact O-CG1 3.45Å; L408-I410 PolarHBondContact O-N 3.06Å; I410-H414 PolarHBondContact O-N 2.76Å; I410-V490 HydrophobicContact CG2-CG1 4.39Å; I410-A493 HydrophobicContact CG2-CB 3.59Å; I410-F494 HydrophobicContact CD1-CB 4.42Å; I410-R497 HydrophobicContact CD1-CB 3.92Å; I410-R497 HydrophobicContact CD1-CG 4.29Å
411	A	98.1	Very high	97.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-74	-30.4	178.5	0	0	0	0	0	112.8	L408 D409 Y417 L440 L462 M486 V490	L408-A411 HydrophobicContact CD1-CB 4.48Å; L408-A411 WeakPolarHBondContact O-CB 3.37Å; L408-A411 PolarHBondContact O-N 3.4Å; D409-A411 PolarHBondContact O-N 2.77Å; A411-Y417 WeakPolarHBondContact O-CB 3.43Å; A411-L440 HydrophobicContact CB-CD2 3.72Å; A411-L462 HydrophobicContact CB-CD2 4.34Å; A411-M486 HydrophobicContact CB-CE 4.49Å; A411-V490 HydrophobicContact CB-CG1 3.86Å; A411-V490 HydrophobicContact CB-CG2 4.31Å
412	Y	98.4	Very high	97.5	Very high	42 Å²	42	58 Å²	58	17%	0.165	27%	0.271	C	S	.	.	H	α-helix	trans	-76.3	-26.9	177.2	-86.8	-87	0	0	0	113.3	L408 D409 Y417 L421 L440 K444	L408-Y412 HydrophobicContact CD2-CE2 3.96Å; L408-Y412 HydrophobicContact CG-CD2 4.07Å; L408-Y412 HydrophobicContact CG-CE2 3.93Å; L408-Y412 PolarHBondContact O-N 3.26Å; D409-Y412 CarbonylContact O-C 3.54Å; D409-Y412 WeakPolarHBondContact O-CA 3.25Å; D409-Y412 PolarHBondContact O-N 3.47Å; Y412-Y417 HydrophobicContact CD1-CD2 4.06Å; Y412-Y417 HydrophobicContact CD1-CE2 4.27Å; Y412-Y417 WeakPolarHBondContact O-CD1 3.45Å; Y412-L421 HydrophobicContact CD1-CD1 4.46Å; Y412-L421 HydrophobicContact CE1-CD1 3.64Å; Y412-L440 HydrophobicContact CE1-CB 4.48Å; Y412-L440 HydrophobicContact CE2-CB 4Å; Y412-L440 PolarHBondContact OH-O 3.37Å; Y412-K444 HydrophobicContact CE2-CD 4.04Å
413	E	97.5	Very high	97.5	Very high	160 Å²	160	54.7 Å²	54.7	75%	0.748	26%	0.263	S	S	*	.	H	α-helix	trans	-83.9	-16.9	179.3	-70.5	176.1	176.1	0	0	112.8	D409	D409-E413 WeakPolarHBondContact O-CG 3.14Å; D409-E413 PolarHBondContact O-N 3.46Å
414	H	98	Very high	97.2	Very high	24 Å²	24	55.3 Å²	55.3	11%	0.111	27%	0.268	C	S	.	.	S	Bend	trans	-65	136.7	176.8	-170.5	-92.1	0	0	0	111.5	I410 D416 Y417 M486 D489 V490	I410-H414 PolarHBondContact O-N 2.76Å; H414-D416 IonicContact CE1-OD2 3.52Å; H414-D416 PolarHBondContact CE1-OD2 3.04Å; H414-D416 PolarHBondContact ND1-N 3.15Å; H414-D416 VanDerWaalsContact ND1-N 3.15Å; H414-D416 PolarHBondContact O-N 3.35Å; H414-Y417 WeakPolarHBondContact O-CB 3.45Å; H414-Y417 VanDerWaalsContact O-CD1 3.29Å; H414-Y417 WeakPolarHBondContact O-CD1 3.13Å; H414-Y417 PolarHBondContact O-N 2.93Å; H414-M486 HydrophobicContact CB-CE 4.4Å; H414-M486 HydrophobicContact CB-CG 4.44Å; H414-M486 VanDerWaalsContact CE1-CB 3.46Å; H414-M486 WeakPolarHBondContact CE1-CB 3.47Å; H414-M486 VanDerWaalsContact ND1-CG 3.31Å; H414-M486 WeakPolarHBondContact ND1-CG 3.37Å; H414-D489 IonicContact NE2-OD2 2.84Å; H414-D489 PolarHBondContact NE2-OD2 3.13Å; H414-V490 HydrophobicContact CB-CG2 4.05Å
415	K	96.2	Very high	96.9	Very high	155 Å²	155	60.7 Å²	60.7	67%	0.674	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-30.1	-177.3	66.7	-170.7	176.6	-172.5	0	114.6
416	D	95.6	Very high	96.4	Very high	9 Å²	9	62.7 Å²	62.7	5%	0.048	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	8.4	-176.9	-65.7	-55.9	0	0	0	114.2	H414 S418 I419 R482 M486	H414-D416 IonicContact CE1-OD2 3.52Å; H414-D416 PolarHBondContact CE1-OD2 3.04Å; H414-D416 PolarHBondContact ND1-N 3.15Å; H414-D416 VanDerWaalsContact ND1-N 3.15Å; H414-D416 PolarHBondContact O-N 3.35Å; D416-S418 PolarHBondContact O-N 2.97Å; D416-I419 HydrophobicContact CB-CD1 3.92Å; D416-I419 WeakPolarHBondContact O-CB 3.37Å; D416-I419 WeakPolarHBondContact O-CG1 3.32Å; D416-I419 PolarHBondContact O-N 2.9Å; D416-I419 VanDerWaalsContact O-N 3.15Å; D416-R482 IonicContact OD1-CZ 2.6Å; D416-R482 IonicContact OD1-NE 3.42Å; D416-R482 PolarHBondContact OD1-NE 2.91Å; D416-R482 IonicContact OD1-NH2 3.83Å; D416-R482 PolarHBondContact OD1-NH2 3.1Å; D416-M486 VanDerWaalsContact C-SD 3.58Å; D416-M486 HydrophobicContact CB-CB 4.33Å; D416-M486 HydrophobicContact CB-SD 3.98Å
417	Y	97.7	Very high	96	Very high	88 Å²	88	61.6 Å²	61.6	35%	0.345	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-55	-29.4	-175.9	84.2	-80.8	0	0	0	114.3	A411 Y412 H414 I419 F420 L421 L440	A411-Y417 WeakPolarHBondContact O-CB 3.43Å; Y412-Y417 HydrophobicContact CD1-CD2 4.06Å; Y412-Y417 HydrophobicContact CD1-CE2 4.27Å; Y412-Y417 WeakPolarHBondContact O-CD1 3.45Å; H414-Y417 WeakPolarHBondContact O-CB 3.45Å; H414-Y417 VanDerWaalsContact O-CD1 3.29Å; H414-Y417 WeakPolarHBondContact O-CD1 3.13Å; H414-Y417 PolarHBondContact O-N 2.93Å; Y417-I419 PolarHBondContact O-N 3.22Å; Y417-F420 CarbonylContact O-C 3.59Å; Y417-F420 PolarHBondContact O-N 3.17Å; Y417-L421 HydrophobicContact CD2-CD1 4.29Å; Y417-L421 HydrophobicContact CE2-CD1 4.08Å; Y417-L421 HydrophobicContact CE2-CD2 4.1Å; Y417-L421 HydrophobicContact CE2-CG 4.49Å; Y417-L421 PolarHBondContact O-N 2.75Å; Y417-L440 HydrophobicContact CD2-CD1 4.45Å
418	S	97.3	Very high	95.4	Very high	71 Å²	71	65.7 Å²	65.7	50%	0.497	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-60.1	-27.7	-176.9	59.3	0	0	0	0	113.1	D416 F420 L421	D416-S418 PolarHBondContact O-N 2.97Å; S418-F420 PolarHBondContact O-N 3.27Å; S418-L421 PolarHBondContact O-N 3.1Å
419	I	94.8	Very high	94.7	Very high	48 Å²	48	67.9 Å²	67.9	25%	0.246	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-60.1	-36.8	174.9	-58.9	168.9	0	0	0	110.7	D416 Y417 L479 R482 M483	D416-I419 HydrophobicContact CB-CD1 3.92Å; D416-I419 WeakPolarHBondContact O-CB 3.37Å; D416-I419 WeakPolarHBondContact O-CG1 3.32Å; D416-I419 PolarHBondContact O-N 2.9Å; D416-I419 VanDerWaalsContact O-N 3.15Å; Y417-I419 PolarHBondContact O-N 3.22Å; I419-L479 HydrophobicContact CD1-CD1 3.61Å; I419-L479 HydrophobicContact CG1-CD1 4.03Å; I419-L479 HydrophobicContact CG2-CD1 4.16Å; I419-R482 HydrophobicContact CD1-CB 4.29Å; I419-M483 HydrophobicContact CD1-CG 4.41Å; I419-M483 HydrophobicContact CG2-CG 4.17Å; I419-M483 HydrophobicContact CG2-SD 4.13Å
420	F	97.8	Very high	94.1	Very high	12 Å²	12	66.4 Å²	66.4	5%	0.053	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-105.6	8	-173.9	-61.3	-84.7	0	0	0	113	Y417 S418 C439 L440 M465 F466 A469 M483 M486	Y417-F420 CarbonylContact O-C 3.59Å; Y417-F420 PolarHBondContact O-N 3.17Å; S418-F420 PolarHBondContact O-N 3.27Å; F420-C439 VanDerWaalsContact O-CB 3.31Å; F420-C439 WeakPolarHBondContact O-CB 3.4Å; F420-L440 HydrophobicContact CB-CD1 4.12Å; F420-L440 HydrophobicContact CB-CG 4.08Å; F420-L440 WeakPolarHBondContact O-CB 3.39Å; F420-L440 WeakPolarHBondContact O-CG 3.45Å; F420-L440 PolarHBondContact O-N 2.96Å; F420-M465 HydrophobicContact CB-CE 3.96Å; F420-M465 HydrophobicContact CB-CG 4.4Å; F420-M465 HydrophobicContact CB-SD 3.73Å; F420-M465 HydrophobicContact CD1-CE 3.98Å; F420-M465 HydrophobicContact CD1-CG 3.61Å; F420-M465 HydrophobicContact CD1-SD 3.99Å; F420-M465 HydrophobicContact CE1-CG 4.28Å; F420-M465 HydrophobicContact CG-CE 3.95Å; F420-M465 HydrophobicContact CG-CG 4.35Å; F420-M465 HydrophobicContact CG-SD 4.14Å; F420-F466 HydrophobicContact CD2-CE1 4.41Å; F420-F466 AromaticContact CE1-CD1 3.94Å; F420-F466 HydrophobicContact CE1-CD1 3.94Å; F420-F466 HydrophobicContact CE1-CE1 4.25Å; F420-F466 HydrophobicContact CE2-CD1 4.24Å; F420-F466 AromaticContact CE2-CE1 3.87Å; F420-F466 HydrophobicContact CE2-CE1 3.87Å; F420-F466 AromaticContact CZ-CD1 3.65Å; F420-F466 HydrophobicContact CZ-CD1 3.65Å; F420-F466 AromaticContact CZ-CE1 3.76Å; F420-F466 HydrophobicContact CZ-CE1 3.76Å; F420-A469 HydrophobicContact CE1-CB 3.68Å; F420-A469 HydrophobicContact CZ-CB 4.16Å; F420-M483 HydrophobicContact CE2-CB 4.41Å; F420-M483 HydrophobicContact CE2-CG 3.93Å; F420-M483 HydrophobicContact CZ-CB 3.93Å; F420-M483 HydrophobicContact CZ-CG 3.59Å; F420-M483 HydrophobicContact CZ-SD 3.99Å; F420-M486 HydrophobicContact CD2-CE 3.84Å; F420-M486 HydrophobicContact CD2-SD 3.48Å; F420-M486 WeakPolarHBondContact CD2-SD 3.31Å; F420-M486 HydrophobicContact CE2-CE 4.4Å; F420-M486 HydrophobicContact CE2-SD 3.61Å
421	L	98	Very high	93.6	Very high	41 Å²	41	69.7 Å²	69.7	22%	0.215	38%	0.377	C	S	.	.	S	Bend	trans	-69.4	-44.7	-170.6	179.7	61.4	0	0	0	112.7	Y412 Y417 S418 T441	Y412-L421 HydrophobicContact CD1-CD1 4.46Å; Y412-L421 HydrophobicContact CE1-CD1 3.64Å; Y417-L421 HydrophobicContact CD2-CD1 4.29Å; Y417-L421 HydrophobicContact CE2-CD1 4.08Å; Y417-L421 HydrophobicContact CE2-CD2 4.1Å; Y417-L421 HydrophobicContact CE2-CG 4.49Å; Y417-L421 PolarHBondContact O-N 2.75Å; S418-L421 PolarHBondContact O-N 3.1Å; L421-T441 HydrophobicContact CD1-CG2 4.04Å; L421-T441 WeakPolarHBondContact O-CB 3.19Å; L421-T441 WeakPolarHBondContact O-CG2 3.14Å; L421-T441 PolarHBondContact O-N 3.36Å; L421-T441 PolarHBondContact O-OG1 2.84Å
422	R	97.4	Very high	93.1	Very high	188 Å²	188	78.9 Å²	78.9	71%	0.709	41%	0.412	S	S	*	.	S	Bend	trans	-118.3	158.1	-173.3	-67.4	-174.5	180	158.2	0.7	111.4	C439	R422-C439 VanDerWaalsContact C-CB 3.48Å; R422-C439 VanDerWaalsContact C-SG 3.51Å; R422-C439 WeakPolarHBondContact O-CB 3.42Å
423	P	95.9	Very high	92.3	Very high	60 Å²	60	80.6 Å²	80.6	39%	0.39	42%	0.423	S	S	.	.			trans	-58.2	142.1	172.6	-21.9	33.1	0	0	0	110.7	T425 C439	P423-T425 HydrophobicContact CB-CG2 4.46Å; P423-T425 PolarHBondContact O-N 2.82Å; P423-C439 WeakPolarHBondContact CD-SG 3.47Å
424	V	91.5	Very high	91.7	Very high	55 Å²	55	73.1 Å²	73.1	33%	0.333	39%	0.388	S	S	.	.			trans	-71	123.9	169.9	-179.6	0	0	0	0	107.7	I427 Y430	V424-I427 HydrophobicContact CG1-CB 4.4Å; V424-I427 HydrophobicContact CG1-CD1 3.77Å; V424-I427 HydrophobicContact CG1-CG1 4.21Å; V424-Y430 HydrophobicContact CB-CD1 3.91Å; V424-Y430 HydrophobicContact CB-CD2 4.27Å; V424-Y430 HydrophobicContact CB-CE1 3.81Å; V424-Y430 HydrophobicContact CB-CE2 4.17Å; V424-Y430 HydrophobicContact CB-CG 4.15Å; V424-Y430 HydrophobicContact CG1-CD1 3.95Å; V424-Y430 HydrophobicContact CG1-CD2 3.86Å; V424-Y430 HydrophobicContact CG1-CE1 4.31Å; V424-Y430 HydrophobicContact CG1-CE2 4.23Å; V424-Y430 HydrophobicContact CG1-CG 3.72Å; V424-Y430 HydrophobicContact CG2-CD2 4.42Å; V424-Y430 HydrophobicContact CG2-CE1 4.21Å; V424-Y430 HydrophobicContact CG2-CE2 3.94Å
425	T	91.2	Very high	91.2	Very high	114 Å²	114	81.9 Å²	81.9	70%	0.699	42%	0.42	S	S	*	.			trans	-134.2	150.5	-179.4	58.5	0	0	0	0	110.3	P423 I427	P423-T425 HydrophobicContact CB-CG2 4.46Å; P423-T425 PolarHBondContact O-N 2.82Å; T425-I427 VanDerWaalsContact C-N 3.32Å
426	G	88.9	Confident	90.9	Very high	73 Å²	73	82.4 Å²	82.4	75%	0.753	42%	0.418	S	S	*	.	S	Bend	trans	79.7	12.9	175.3	0	0	0	0	0	114.5	P428	G426-P428 WeakPolarHBondContact O-CD 3.14Å
427	I	88.4	Confident	90.9	Very high	73 Å²	73	85 Å²	85	37%	0.374	44%	0.435	S	S	.	.			trans	-116.9	91.6	173.9	-53.2	-178.3	0	0	0	107.8	V424 T425 A429 Y430 D431 F472	V424-I427 HydrophobicContact CG1-CB 4.4Å; V424-I427 HydrophobicContact CG1-CD1 3.77Å; V424-I427 HydrophobicContact CG1-CG1 4.21Å; T425-I427 VanDerWaalsContact C-N 3.32Å; I427-A429 HydrophobicContact CG2-CB 4.47Å; I427-A429 PolarHBondContact O-N 2.99Å; I427-A429 VanDerWaalsContact O-N 3.1Å; I427-Y430 WeakPolarHBondContact O-CA 3.34Å; I427-Y430 VanDerWaalsContact O-CB 3.23Å; I427-Y430 WeakPolarHBondContact O-CB 3.47Å; I427-Y430 PolarHBondContact O-N 3.33Å; I427-D431 PolarHBondContact O-N 3.23Å; I427-F472 HydrophobicContact CG2-CE1 4.48Å; I427-F472 HydrophobicContact CG2-CE2 4.5Å; I427-F472 HydrophobicContact CG2-CZ 3.73Å
428	P	86.5	Confident	90.9	Very high	88 Å²	88	81.2 Å²	81.2	57%	0.571	42%	0.422	S	S	*	.	H	α-helix	trans	-56.2	-32.5	-176	-27.6	34.9	0	0	0	113.9	G426 Y430 D431 R432	G426-P428 WeakPolarHBondContact O-CD 3.14Å; P428-Y430 VanDerWaalsContact C-N 3.29Å; P428-Y430 PolarHBondContact O-N 2.63Å; P428-D431 PolarHBondContact O-N 3.39Å; P428-R432 WeakPolarHBondContact O-CG 3.33Å; P428-R432 PolarHBondContact O-N 3.26Å
429	A	83.8	Confident	90.9	Very high	47 Å²	47	78 Å²	78	39%	0.388	40%	0.399	S	S	.	.	H	α-helix	trans	-64.7	-33.6	175	0	0	0	0	0	112.4	I427 R432 I433 F472	I427-A429 HydrophobicContact CG2-CB 4.47Å; I427-A429 PolarHBondContact O-N 2.99Å; I427-A429 VanDerWaalsContact O-N 3.1Å; A429-R432 PolarHBondContact O-N 3.39Å; A429-I433 HydrophobicContact CB-CD1 4.49Å; A429-I433 VanDerWaalsContact O-CB 3.26Å; A429-I433 WeakPolarHBondContact O-CB 3.09Å; A429-I433 WeakPolarHBondContact O-CD1 2.93Å; A429-I433 WeakPolarHBondContact O-CG1 3.49Å; A429-I433 PolarHBondContact O-N 3.07Å; A429-F472 HydrophobicContact CB-CE2 4.22Å
430	Y	85.6	Confident	91.1	Very high	15 Å²	15	75.7 Å²	75.7	6%	0.059	39%	0.387	C	S	.	.	H	α-helix	trans	-65.6	-48	178	-169.5	-86.8	0	0	0	110.5	V424 I427 P428 R432 I433 V434 P437 F472	V424-Y430 HydrophobicContact CB-CD1 3.91Å; V424-Y430 HydrophobicContact CB-CD2 4.27Å; V424-Y430 HydrophobicContact CB-CE1 3.81Å; V424-Y430 HydrophobicContact CB-CE2 4.17Å; V424-Y430 HydrophobicContact CB-CG 4.15Å; V424-Y430 HydrophobicContact CG1-CD1 3.95Å; V424-Y430 HydrophobicContact CG1-CD2 3.86Å; V424-Y430 HydrophobicContact CG1-CE1 4.31Å; V424-Y430 HydrophobicContact CG1-CE2 4.23Å; V424-Y430 HydrophobicContact CG1-CG 3.72Å; V424-Y430 HydrophobicContact CG2-CD2 4.42Å; V424-Y430 HydrophobicContact CG2-CE1 4.21Å; V424-Y430 HydrophobicContact CG2-CE2 3.94Å; I427-Y430 WeakPolarHBondContact O-CA 3.34Å; I427-Y430 VanDerWaalsContact O-CB 3.23Å; I427-Y430 WeakPolarHBondContact O-CB 3.47Å; I427-Y430 PolarHBondContact O-N 3.33Å; P428-Y430 VanDerWaalsContact C-N 3.29Å; P428-Y430 PolarHBondContact O-N 2.63Å; Y430-R432 PolarHBondContact O-N 2.97Å; Y430-I433 PolarHBondContact O-N 2.91Å; Y430-I433 VanDerWaalsContact O-N 3.16Å; Y430-V434 HydrophobicContact CD1-CB 4.09Å; Y430-V434 HydrophobicContact CD1-CG2 4.35Å; Y430-V434 HydrophobicContact CD2-CG2 3.97Å; Y430-V434 HydrophobicContact CE1-CB 3.77Å; Y430-V434 HydrophobicContact CE1-CG1 3.87Å; Y430-V434 HydrophobicContact CE1-CG2 4.09Å; Y430-V434 HydrophobicContact CE2-CB 4.32Å; Y430-V434 HydrophobicContact CE2-CG2 3.71Å; Y430-V434 HydrophobicContact CG-CB 4.48Å; Y430-V434 HydrophobicContact CG-CG2 4.28Å; Y430-V434 WeakPolarHBondContact O-CB 3.43Å; Y430-V434 PolarHBondContact O-N 3.38Å; Y430-P437 HydrophobicContact CE1-CB 4.23Å; Y430-P437 HydrophobicContact CE1-CG 4.28Å; Y430-F472 VanDerWaalsContact CA-CE2 3.43Å; Y430-F472 HydrophobicContact CD2-CB 4.08Å; Y430-F472 AromaticContact CD2-CD1 3.62Å; Y430-F472 HydrophobicContact CD2-CD1 3.62Å; Y430-F472 AromaticContact CD2-CD2 3.6Å; Y430-F472 HydrophobicContact CD2-CD2 3.6Å; Y430-F472 AromaticContact CD2-CE1 3.91Å; Y430-F472 HydrophobicContact CD2-CE1 3.91Å; Y430-F472 AromaticContact CD2-CE2 3.91Å; Y430-F472 HydrophobicContact CD2-CE2 3.91Å; Y430-F472 AromaticContact CD2-CG 3.45Å; Y430-F472 HydrophobicContact CD2-CG 3.45Å; Y430-F472 VanDerWaalsContact CD2-CG 3.45Å; Y430-F472 HydrophobicContact CD2-CZ 4.06Å; Y430-F472 HydrophobicContact CE2-CB 4.05Å; Y430-F472 HydrophobicContact CE2-CD1 4.11Å; Y430-F472 HydrophobicContact CE2-CD2 4.39Å; Y430-F472 AromaticContact CE2-CG 3.91Å; Y430-F472 HydrophobicContact CE2-CG 3.91Å; Y430-F472 HydrophobicContact CG-CD2 4.26Å; Y430-F472 HydrophobicContact CG-CE2 4.3Å
431	D	86.9	Confident	91.1	Very high	101 Å²	101	77.6 Å²	77.6	54%	0.54	40%	0.4	S	S	.	.	H	α-helix	trans	-62.7	-29.6	179.8	-60.8	-33.7	0	0	0	112.4	I427 P428	I427-D431 PolarHBondContact O-N 3.23Å; P428-D431 PolarHBondContact O-N 3.39Å
432	R	86.9	Confident	91.1	Very high	193 Å²	193	76.5 Å²	76.5	73%	0.728	39%	0.394	S	S	*	.	H	α-helix	trans	-78.3	-36	175.7	-69.3	174.4	-178.9	-168.5	-1.5	113.4	P428 A429 Y430	P428-R432 WeakPolarHBondContact O-CG 3.33Å; P428-R432 PolarHBondContact O-N 3.26Å; A429-R432 PolarHBondContact O-N 3.39Å; Y430-R432 PolarHBondContact O-N 2.97Å
433	I	83.2	Confident	91.2	Very high	77 Å²	77	67.5 Å²	67.5	40%	0.395	36%	0.36	S	S	.	.	H	α-helix	trans	-91.1	-44	-171.8	-69.1	173	0	0	0	111.2	A429 Y430 F471 F472	A429-I433 HydrophobicContact CB-CD1 4.49Å; A429-I433 VanDerWaalsContact O-CB 3.26Å; A429-I433 WeakPolarHBondContact O-CB 3.09Å; A429-I433 WeakPolarHBondContact O-CD1 2.93Å; A429-I433 WeakPolarHBondContact O-CG1 3.49Å; A429-I433 PolarHBondContact O-N 3.07Å; Y430-I433 PolarHBondContact O-N 2.91Å; Y430-I433 VanDerWaalsContact O-N 3.16Å; I433-F471 HydrophobicContact CG2-CD1 3.56Å; I433-F471 HydrophobicContact CG2-CE1 3.25Å; I433-F471 HydrophobicContact CG2-CZ 4.26Å; I433-F472 HydrophobicContact CB-CD2 4.37Å; I433-F472 HydrophobicContact CD1-CD2 4.34Å; I433-F472 HydrophobicContact CD1-CE2 4.3Å; I433-F472 HydrophobicContact CG2-CD2 4.32Å
434	V	84.6	Confident	91.3	Very high	4 Å²	4	67 Å²	67	2%	0.024	35%	0.351	C	S	.	.			trans	-96.3	102.4	-174	-180	0	0	0	0	110.3	Y430 R436 P437 N468 F472	Y430-V434 HydrophobicContact CD1-CB 4.09Å; Y430-V434 HydrophobicContact CD1-CG2 4.35Å; Y430-V434 HydrophobicContact CD2-CG2 3.97Å; Y430-V434 HydrophobicContact CE1-CB 3.77Å; Y430-V434 HydrophobicContact CE1-CG1 3.87Å; Y430-V434 HydrophobicContact CE1-CG2 4.09Å; Y430-V434 HydrophobicContact CE2-CB 4.32Å; Y430-V434 HydrophobicContact CE2-CG2 3.71Å; Y430-V434 HydrophobicContact CG-CB 4.48Å; Y430-V434 HydrophobicContact CG-CG2 4.28Å; Y430-V434 WeakPolarHBondContact O-CB 3.43Å; Y430-V434 PolarHBondContact O-N 3.38Å; V434-R436 PolarHBondContact O-N 2.63Å; V434-P437 HydrophobicContact CG1-CG 4.43Å; V434-N468 HydrophobicContact CG1-CB 3.78Å; V434-F472 HydrophobicContact CG2-CB 3.98Å; V434-F472 HydrophobicContact CG2-CD2 4.35Å; V434-F472 HydrophobicContact CG2-CG 4.48Å
435	R	87.6	Confident	91.7	Very high	207 Å²	207	70 Å²	70	78%	0.781	36%	0.357	S	S	*	.	S	Bend	trans	-73.2	-25.8	-174.2	-67.5	-176.6	175	179	-3.9	115.5
436	R	90.3	Very high	92	Very high	166 Å²	166	65.2 Å²	65.2	63%	0.626	33%	0.327	S	S	*	.	S	Bend	trans	-130.4	70.8	-177.7	-66.1	-176.3	178.4	179	-0.2	110.2	V434 V438 L464 N468	V434-R436 PolarHBondContact O-N 2.63Å; R436-V438 PolarHBondContact O-N 2.66Å; R436-L464 HydrophobicContact CB-CD1 4.44Å; R436-L464 HydrophobicContact CB-CD2 4.07Å; R436-N468 PolarHBondContact O-ND2 3.11Å
437	P	95.1	Very high	92.4	Very high	63 Å²	63	61.9 Å²	61.9	41%	0.409	29%	0.292	S	S	.	.			trans	-53.1	140.6	176.4	-24.6	35	0	0	0	111.3	Y430 V434	Y430-P437 HydrophobicContact CE1-CB 4.23Å; Y430-P437 HydrophobicContact CE1-CG 4.28Å; V434-P437 HydrophobicContact CG1-CG 4.43Å
438	V	96.6	Very high	92.9	Very high	10 Å²	10	65.7 Å²	65.7	6%	0.061	30%	0.302	C	S	.	.			trans	-155.1	143.2	175.2	58.6	0	0	0	0	108.8	R436 D442 I443 R461 L464 M465	R436-V438 PolarHBondContact O-N 2.66Å; V438-D442 HydrophobicContact CG2-CB 4.46Å; V438-I443 HydrophobicContact CG2-CD1 3.92Å; V438-I443 HydrophobicContact CG2-CG1 3.55Å; V438-R461 VanDerWaalsContact CG2-CZ 3.44Å; V438-L464 HydrophobicContact CG1-CB 4.29Å; V438-L464 HydrophobicContact CG1-CD2 4.03Å; V438-L464 HydrophobicContact CG1-CG 3.85Å; V438-M465 VanDerWaalsContact CG1-CA 3.49Å; V438-M465 HydrophobicContact CG1-CB 3.76Å; V438-M465 HydrophobicContact CG1-CG 4.41Å
439	C	98.1	Very high	93.3	Very high	3 Å²	3	66.4 Å²	66.4	2%	0.02	30%	0.301	C	S	.	.			trans	-138.2	171.8	173.2	67.6	0	0	0	0	110	F420 R422 P423 T441 D442 I443	F420-C439 VanDerWaalsContact O-CB 3.31Å; F420-C439 WeakPolarHBondContact O-CB 3.4Å; R422-C439 VanDerWaalsContact C-CB 3.48Å; R422-C439 VanDerWaalsContact C-SG 3.51Å; R422-C439 WeakPolarHBondContact O-CB 3.42Å; P423-C439 WeakPolarHBondContact CD-SG 3.47Å; C439-T441 VanDerWaalsContact C-N 3.29Å; C439-T441 PolarHBondContact O-N 3.47Å; C439-T441 PolarHBondContact SG-OG1 2.95Å; C439-D442 PolarHBondContact N-OD2 2.88Å; C439-D442 WeakPolarHBondContact O-CB 3.27Å; C439-D442 PolarHBondContact O-N 3.11Å; C439-D442 VanDerWaalsContact O-N 3.09Å; C439-D442 PolarHBondContact SG-OD2 3.1Å; C439-I443 WeakPolarHBondContact O-CG1 3.43Å; C439-I443 PolarHBondContact O-N 3.1Å
440	L	98.7	Very high	93.9	Very high	0 Å²	0	66 Å²	66	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.8	-38.4	-178.5	-68.4	173.1	0	0	0	112.8	L408 A411 Y412 Y417 F420 D442 I443 K444 L462 M465	L408-L440 HydrophobicContact CD1-CD2 3.87Å; A411-L440 HydrophobicContact CB-CD2 3.72Å; Y412-L440 HydrophobicContact CE1-CB 4.48Å; Y412-L440 HydrophobicContact CE2-CB 4Å; Y412-L440 PolarHBondContact OH-O 3.37Å; Y417-L440 HydrophobicContact CD2-CD1 4.45Å; F420-L440 HydrophobicContact CB-CD1 4.12Å; F420-L440 HydrophobicContact CB-CG 4.08Å; F420-L440 WeakPolarHBondContact O-CB 3.39Å; F420-L440 WeakPolarHBondContact O-CG 3.45Å; F420-L440 PolarHBondContact O-N 2.96Å; L440-D442 VanDerWaalsContact C-N 3.33Å; L440-D442 PolarHBondContact O-N 3.36Å; L440-I443 PolarHBondContact O-N 3.42Å; L440-K444 WeakPolarHBondContact O-CB 3.34Å; L440-K444 PolarHBondContact O-N 3.21Å; L440-L462 HydrophobicContact CD2-CD2 4.38Å; L440-M465 HydrophobicContact CD2-CE 3.92Å; L440-M465 HydrophobicContact CD2-SD 3.84Å; L440-M465 HydrophobicContact CG-CE 4.33Å; L440-M465 HydrophobicContact CG-SD 3.9Å
441	T	98.4	Very high	94.4	Very high	51 Å²	51	72.5 Å²	72.5	31%	0.313	33%	0.33	S	S	.	.	H	α-helix	trans	-65.3	-35.4	176.8	45.3	0	0	0	0	112.6	L421 C439 R445	L421-T441 HydrophobicContact CD1-CG2 4.04Å; L421-T441 WeakPolarHBondContact O-CB 3.19Å; L421-T441 WeakPolarHBondContact O-CG2 3.14Å; L421-T441 PolarHBondContact O-N 3.36Å; L421-T441 PolarHBondContact O-OG1 2.84Å; C439-T441 VanDerWaalsContact C-N 3.29Å; C439-T441 PolarHBondContact O-N 3.47Å; C439-T441 PolarHBondContact SG-OG1 2.95Å; T441-R445 WeakPolarHBondContact O-CB 2.97Å; T441-R445 PolarHBondContact O-N 3.31Å; T441-R445 VanDerWaalsContact O-N 3.07Å
442	D	98.4	Very high	94.9	Very high	18 Å²	18	68 Å²	68	10%	0.096	31%	0.305	C	S	.	.	H	α-helix	trans	-66.7	-46.7	173.2	-63.7	-37.4	0	0	0	111.2	V438 C439 L440 K444 R445 D446	V438-D442 HydrophobicContact CG2-CB 4.46Å; C439-D442 PolarHBondContact N-OD2 2.88Å; C439-D442 WeakPolarHBondContact O-CB 3.27Å; C439-D442 PolarHBondContact O-N 3.11Å; C439-D442 VanDerWaalsContact O-N 3.09Å; C439-D442 PolarHBondContact SG-OD2 3.1Å; L440-D442 VanDerWaalsContact C-N 3.33Å; L440-D442 PolarHBondContact O-N 3.36Å; D442-K444 VanDerWaalsContact C-N 3.34Å; D442-K444 PolarHBondContact O-N 3.07Å; D442-R445 PolarHBondContact O-N 3.3Å; D442-R445 IonicContact OD1-CZ 2.99Å; D442-R445 IonicContact OD1-NH1 2.66Å; D442-R445 PolarHBondContact OD1-NH1 3.2Å; D442-R445 IonicContact OD1-NH2 2.63Å; D442-R445 PolarHBondContact OD1-NH2 3.43Å; D442-D446 WeakPolarHBondContact O-CB 3.35Å; D442-D446 PolarHBondContact O-N 2.6Å
443	I	98.7	Very high	95.3	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.6	-45.8	178.8	-61.6	174.1	0	0	0	110.2	L408 V438 C439 L440 R445 D446 I447 I452 L458 R461 L462 M465	L408-I443 HydrophobicContact CD1-CB 4.44Å; L408-I443 HydrophobicContact CD1-CG2 3.86Å; L408-I443 HydrophobicContact CD2-CB 4.41Å; L408-I443 HydrophobicContact CD2-CG2 3.95Å; V438-I443 HydrophobicContact CG2-CD1 3.92Å; V438-I443 HydrophobicContact CG2-CG1 3.55Å; C439-I443 WeakPolarHBondContact O-CG1 3.43Å; C439-I443 PolarHBondContact O-N 3.1Å; L440-I443 PolarHBondContact O-N 3.42Å; I443-R445 VanDerWaalsContact C-N 3.35Å; I443-R445 PolarHBondContact O-N 3.46Å; I443-D446 PolarHBondContact O-N 2.93Å; I443-I447 HydrophobicContact CG2-CD1 4.22Å; I443-I447 WeakPolarHBondContact O-CG1 3.06Å; I443-I447 PolarHBondContact O-N 3.35Å; I443-I452 HydrophobicContact CB-CD1 4.44Å; I443-I452 HydrophobicContact CG2-CD1 3.78Å; I443-L458 HydrophobicContact CG2-CD1 3.53Å; I443-R461 HydrophobicContact CD1-CB 4.12Å; I443-R461 HydrophobicContact CG1-CB 4.13Å; I443-L462 HydrophobicContact CD1-CD2 4.11Å; I443-M465 HydrophobicContact CD1-SD 4.08Å
444	K	98.6	Very high	96	Very high	48 Å²	48	61 Å²	61	21%	0.209	29%	0.293	C	S	.	.	H	α-helix	trans	-61.9	-40.8	178.2	-169.1	165.1	-170.2	152.8	0	112.4	L405 L408 Y412 L440 D442 R448	L405-K444 HydrophobicContact CD2-CG 3.99Å; L408-K444 HydrophobicContact CD2-CB 3.8Å; L408-K444 HydrophobicContact CD2-CG 4.32Å; Y412-K444 HydrophobicContact CE2-CD 4.04Å; L440-K444 WeakPolarHBondContact O-CB 3.34Å; L440-K444 PolarHBondContact O-N 3.21Å; D442-K444 VanDerWaalsContact C-N 3.34Å; D442-K444 PolarHBondContact O-N 3.07Å; K444-R448 WeakPolarHBondContact O-CG 3.34Å; K444-R448 PolarHBondContact O-N 2.9Å
445	R	98.4	Very high	96.5	Very high	119 Å²	119	62.4 Å²	62.4	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-65.5	-43.6	174.7	-178.2	-177.5	65.3	-123.3	-5.1	111.1	T441 D442 I443 I447 R448 N449	T441-R445 WeakPolarHBondContact O-CB 2.97Å; T441-R445 PolarHBondContact O-N 3.31Å; T441-R445 VanDerWaalsContact O-N 3.07Å; D442-R445 PolarHBondContact O-N 3.3Å; D442-R445 IonicContact OD1-CZ 2.99Å; D442-R445 IonicContact OD1-NH1 2.66Å; D442-R445 PolarHBondContact OD1-NH1 3.2Å; D442-R445 IonicContact OD1-NH2 2.63Å; D442-R445 PolarHBondContact OD1-NH2 3.43Å; I443-R445 VanDerWaalsContact C-N 3.35Å; I443-R445 PolarHBondContact O-N 3.46Å; R445-I447 PolarHBondContact O-N 3.11Å; R445-R448 PolarHBondContact O-N 3.29Å; R445-N449 WeakPolarHBondContact O-CB 3.44Å; R445-N449 VanDerWaalsContact O-CG 3.26Å; R445-N449 PolarHBondContact O-N 3.47Å
446	D	98.4	Very high	96.9	Very high	13 Å²	13	57 Å²	57	7%	0.07	29%	0.292	C	S	.	.	H	α-helix	trans	-66.4	-34.9	-179.2	-71.5	-16.1	0	0	0	112.1	D442 I443 G450 K451 I452 R461	D442-D446 WeakPolarHBondContact O-CB 3.35Å; D442-D446 PolarHBondContact O-N 2.6Å; I443-D446 PolarHBondContact O-N 2.93Å; D446-G450 PolarHBondContact O-N 2.88Å; D446-K451 HydrophobicContact CB-CB 4.01Å; D446-K451 HydrophobicContact CB-CD 4.49Å; D446-K451 WeakPolarHBondContact O-CA 3.45Å; D446-K451 WeakPolarHBondContact O-CB 3.21Å; D446-K451 PolarHBondContact O-N 2.8Å; D446-I452 HydrophobicContact CB-CD1 3.68Å; D446-I452 HydrophobicContact CB-CG1 3.91Å; D446-I452 PolarHBondContact O-N 2.88Å; D446-I452 VanDerWaalsContact O-N 3.13Å; D446-R461 IonicContact OD2-CZ 3.42Å; D446-R461 IonicContact OD2-NE 3.93Å; D446-R461 IonicContact OD2-NH2 2.76Å; D446-R461 PolarHBondContact OD2-NH2 2.96Å
447	I	98.4	Very high	97.1	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.015	27%	0.273	C	S	.	.	H	α-helix	trans	-62.6	-50.4	170.3	-67.8	166.1	0	0	0	110.8	M401 L404 L405 L408 I443 R445 N449 G450 I452 L458	M401-I447 HydrophobicContact CG-CG2 3.86Å; L404-I447 HydrophobicContact CB-CD1 4.08Å; L404-I447 HydrophobicContact CB-CG1 4.28Å; L404-I447 HydrophobicContact CB-CG2 3.9Å; L404-I447 HydrophobicContact CD1-CG2 4.4Å; L405-I447 HydrophobicContact CD2-CB 4.37Å; L405-I447 HydrophobicContact CD2-CD1 4.28Å; L405-I447 HydrophobicContact CD2-CG2 3.99Å; L405-I447 HydrophobicContact CG-CG2 3.94Å; L408-I447 HydrophobicContact CB-CD1 4.21Å; L408-I447 HydrophobicContact CD2-CD1 3.74Å; I443-I447 HydrophobicContact CG2-CD1 4.22Å; I443-I447 WeakPolarHBondContact O-CG1 3.06Å; I443-I447 PolarHBondContact O-N 3.35Å; R445-I447 PolarHBondContact O-N 3.11Å; I447-N449 VanDerWaalsContact C-N 3.27Å; I447-N449 PolarHBondContact O-N 3.32Å; I447-G450 PolarHBondContact O-N 3.44Å; I447-I452 HydrophobicContact CG1-CB 3.83Å; I447-I452 HydrophobicContact CG1-CD1 4.18Å; I447-I452 HydrophobicContact CG1-CG2 3.95Å; I447-L458 HydrophobicContact CD1-CD1 4.07Å
448	R	97.2	Very high	97.2	Very high	153 Å²	153	47.5 Å²	47.5	58%	0.577	25%	0.254	S	S	*	.	H	α-helix	trans	-62.3	-35.5	-178.7	-73.5	175.9	176	166.9	-3.9	112.8	K444 R445 G450	K444-R448 WeakPolarHBondContact O-CG 3.34Å; K444-R448 PolarHBondContact O-N 2.9Å; R445-R448 PolarHBondContact O-N 3.29Å; R448-G450 PolarHBondContact O-N 3.42Å
449	N	96.2	Very high	97.3	Very high	104 Å²	104	51.1 Å²	51.1	56%	0.556	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	1.1	177.4	-66	-8.8	0	0	0	112.8	R445 I447 K451	R445-N449 WeakPolarHBondContact O-CB 3.44Å; R445-N449 VanDerWaalsContact O-CG 3.26Å; R445-N449 PolarHBondContact O-N 3.47Å; I447-N449 VanDerWaalsContact C-N 3.27Å; I447-N449 PolarHBondContact O-N 3.32Å; N449-K451 VanDerWaalsContact C-N 3.25Å; N449-K451 PolarHBondContact O-N 3.42Å
450	G	95.4	Very high	97.1	Very high	38 Å²	38	58.1 Å²	58.1	39%	0.392	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	8.5	179.6	0	0	0	0	0	115.1	D446 I447 R448 I452	D446-G450 PolarHBondContact O-N 2.88Å; I447-G450 PolarHBondContact O-N 3.44Å; R448-G450 PolarHBondContact O-N 3.42Å; G450-I452 VanDerWaalsContact C-N 3.31Å
451	K	96.6	Very high	97	Very high	152 Å²	152	60.8 Å²	60.8	66%	0.661	31%	0.307	S	S	*	.	S	Bend	trans	-70.1	-30.6	174.3	-66.7	-176	178.1	-177.5	0	112.1	D446 N449	D446-K451 HydrophobicContact CB-CB 4.01Å; D446-K451 HydrophobicContact CB-CD 4.49Å; D446-K451 WeakPolarHBondContact O-CA 3.45Å; D446-K451 WeakPolarHBondContact O-CB 3.21Å; D446-K451 PolarHBondContact O-N 2.8Å; N449-K451 VanDerWaalsContact C-N 3.25Å; N449-K451 PolarHBondContact O-N 3.42Å
452	I	97.8	Very high	96.9	Very high	6 Å²	6	58.4 Å²	58.4	3%	0.031	29%	0.292	C	S	.	.	S	Bend	trans	-109.2	104.3	168.7	-59.9	168.1	0	0	0	106.5	L404 I443 D446 I447 G450 A457 L458 R461	L404-I452 HydrophobicContact CD1-CG2 4.38Å; L404-I452 WeakPolarHBondContact CD1-O 3.21Å; I443-I452 HydrophobicContact CB-CD1 4.44Å; I443-I452 HydrophobicContact CG2-CD1 3.78Å; D446-I452 HydrophobicContact CB-CD1 3.68Å; D446-I452 HydrophobicContact CB-CG1 3.91Å; D446-I452 PolarHBondContact O-N 2.88Å; D446-I452 VanDerWaalsContact O-N 3.13Å; I447-I452 HydrophobicContact CG1-CB 3.83Å; I447-I452 HydrophobicContact CG1-CD1 4.18Å; I447-I452 HydrophobicContact CG1-CG2 3.95Å; G450-I452 VanDerWaalsContact C-N 3.31Å; I452-A457 HydrophobicContact CG2-CB 4.05Å; I452-L458 HydrophobicContact CG2-CB 3.86Å; I452-R461 HydrophobicContact CD1-CB 4.19Å; I452-R461 HydrophobicContact CD1-CG 3.71Å; I452-R461 HydrophobicContact CG1-CG 4.14Å
453	S	95.8	Very high	96.7	Very high	78 Å²	78	60 Å²	60	55%	0.545	30%	0.302	S	S	.	.			trans	-117	3.6	-172.7	57.8	0	0	0	0	113.9	M400	M400-S453 VanDerWaalsContact CG-O 3.26Å; M400-S453 WeakPolarHBondContact CG-O 3.44Å
454	S	95.8	Very high	96.4	Very high	44 Å²	44	62 Å²	62	31%	0.308	31%	0.313	S	S	.	.	S	Bend	trans	-146.9	158.8	-179.8	71.9	0	0	0	0	112.5	L404 A457 L458	L404-S454 VanDerWaalsContact CD2-C 3.49Å; L404-S454 WeakPolarHBondContact CD2-O 3.48Å; S454-A457 WeakPolarHBondContact O-CB 3.5Å; S454-A457 PolarHBondContact O-N 3.43Å; S454-A457 WeakPolarHBondContact OG-CB 3.29Å; S454-A457 PolarHBondContact OG-N 2.81Å; S454-L458 PolarHBondContact O-N 3.06Å; S454-L458 VanDerWaalsContact O-N 3.08Å
455	I	96.8	Very high	96.3	Very high	34 Å²	34	59.9 Å²	59.9	17%	0.174	30%	0.304	C	S	.	.	H	α-helix	trans	-60.5	-45.9	179	-63.7	174.4	0	0	0	111.6	L404 L407 A457 L458 R459 F494 V498	L404-I455 HydrophobicContact CD2-CG1 4.06Å; L407-I455 HydrophobicContact CD1-CD1 4.07Å; L407-I455 HydrophobicContact CD1-CG1 3.81Å; L407-I455 HydrophobicContact CD1-CG2 4.24Å; I455-A457 VanDerWaalsContact C-N 3.29Å; I455-A457 PolarHBondContact O-N 2.92Å; I455-L458 PolarHBondContact O-N 3.21Å; I455-R459 PolarHBondContact O-N 3.39Å; I455-F494 HydrophobicContact CG2-CE1 4.03Å; I455-F494 HydrophobicContact CG2-CZ 3.84Å; I455-V498 HydrophobicContact CD1-CG1 4.45Å; I455-V498 HydrophobicContact CD1-CG2 4.44Å; I455-V498 HydrophobicContact CG2-CB 4.45Å; I455-V498 HydrophobicContact CG2-CG1 4.01Å; I455-V498 HydrophobicContact CG2-CG2 3.5Å; I455-V498 VanDerWaalsContact CG2-CG2 3.5Å
456	P	95.1	Very high	96	Very high	94 Å²	94	54.3 Å²	54.3	61%	0.61	28%	0.282	S	S	*	.	H	α-helix	trans	-60.6	-36.4	175.6	-25.5	35.9	0	0	0	113.3	R459 K460	P456-R459 PolarHBondContact O-N 3.39Å; P456-K460 WeakPolarHBondContact O-CB 3.3Å; P456-K460 PolarHBondContact O-N 2.91Å
457	A	94.7	Very high	95.5	Very high	29 Å²	29	57.7 Å²	57.7	24%	0.24	30%	0.301	C	S	.	.	H	α-helix	trans	-65.5	-40.5	176.4	0	0	0	0	0	111.6	I452 S454 I455 K460 R461	I452-A457 HydrophobicContact CG2-CB 4.05Å; S454-A457 WeakPolarHBondContact O-CB 3.5Å; S454-A457 PolarHBondContact O-N 3.43Å; S454-A457 WeakPolarHBondContact OG-CB 3.29Å; S454-A457 PolarHBondContact OG-N 2.81Å; I455-A457 VanDerWaalsContact C-N 3.29Å; I455-A457 PolarHBondContact O-N 2.92Å; A457-K460 PolarHBondContact O-N 3.44Å; A457-R461 VanDerWaalsContact O-CG 3.27Å; A457-R461 WeakPolarHBondContact O-CG 3Å; A457-R461 PolarHBondContact O-N 3.18Å
458	L	98	Very high	95	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.7	-47.9	174.1	176.8	55.1	0	0	0	111.4	L404 L407 L408 I443 I447 I452 S454 I455 K460 R461 L462 F494	L404-L458 HydrophobicContact CB-CD2 4.22Å; L404-L458 HydrophobicContact CD2-CB 4.03Å; L404-L458 HydrophobicContact CD2-CD2 3.93Å; L404-L458 WeakPolarHBondContact O-CD2 3.14Å; L407-L458 HydrophobicContact CB-CD2 3.81Å; L408-L458 HydrophobicContact CD1-CD1 4.3Å; I443-L458 HydrophobicContact CG2-CD1 3.53Å; I447-L458 HydrophobicContact CD1-CD1 4.07Å; I452-L458 HydrophobicContact CG2-CB 3.86Å; S454-L458 PolarHBondContact O-N 3.06Å; S454-L458 VanDerWaalsContact O-N 3.08Å; I455-L458 PolarHBondContact O-N 3.21Å; L458-K460 VanDerWaalsContact C-N 3.33Å; L458-K460 PolarHBondContact O-N 3.19Å; L458-R461 PolarHBondContact O-N 3.38Å; L458-L462 HydrophobicContact CD1-CD1 4.41Å; L458-L462 HydrophobicContact CD1-CG 4.35Å; L458-L462 HydrophobicContact CG-CD1 4.35Å; L458-L462 PolarHBondContact O-N 2.98Å; L458-F494 HydrophobicContact CD2-CE2 3.73Å; L458-F494 HydrophobicContact CD2-CZ 4.34Å; L458-F494 HydrophobicContact CG-CE2 3.84Å; L458-F494 HydrophobicContact CG-CZ 4.26Å
459	R	97.4	Very high	94.4	Very high	86 Å²	86	51.4 Å²	51.4	33%	0.325	28%	0.279	S	S	.	.	H	α-helix	trans	-54.4	-48.1	176.1	-172.3	-177.5	179.9	76.3	-11.1	111.5	I455 P456 R461 L462 V463 M491 F494 D495	I455-R459 PolarHBondContact O-N 3.39Å; P456-R459 PolarHBondContact O-N 3.39Å; R459-R461 VanDerWaalsContact C-N 3.25Å; R459-R461 PolarHBondContact O-N 3.42Å; R459-L462 PolarHBondContact O-N 3.17Å; R459-V463 HydrophobicContact CG-CG2 4.49Å; R459-V463 WeakPolarHBondContact O-CG2 3.32Å; R459-V463 PolarHBondContact O-N 2.91Å; R459-M491 HydrophobicContact CG-CE 3.84Å; R459-F494 HydrophobicContact CB-CE1 3.92Å; R459-F494 HydrophobicContact CB-CZ 4.08Å; R459-F494 HydrophobicContact CG-CE1 4.22Å; R459-D495 IonicContact CZ-OD1 3.88Å; R459-D495 VanDerWaalsContact CZ-OD1 3.29Å; R459-D495 IonicContact CZ-OD2 3.19Å; R459-D495 VanDerWaalsContact CZ-OD2 3.27Å; R459-D495 IonicContact NH1-OD1 2.91Å; R459-D495 PolarHBondContact NH1-OD1 3.19Å; R459-D495 IonicContact NH1-OD2 2.66Å; R459-D495 PolarHBondContact NH1-OD2 3.05Å; R459-D495 IonicContact NH2-OD1 2.99Å; R459-D495 IonicContact NH2-OD2 3.86Å; R459-D495 PolarHBondContact NH2-OD2 3.39Å
460	K	94.5	Very high	93.9	Very high	151 Å²	151	48.5 Å²	48.5	66%	0.657	26%	0.262	S	S	*	.	H	α-helix	trans	-58	-36.7	177.8	-173.3	175.3	-177.8	174.5	0	112.2	P456 A457 L458 L464	P456-K460 WeakPolarHBondContact O-CB 3.3Å; P456-K460 PolarHBondContact O-N 2.91Å; A457-K460 PolarHBondContact O-N 3.44Å; L458-K460 VanDerWaalsContact C-N 3.33Å; L458-K460 PolarHBondContact O-N 3.19Å; K460-L464 WeakPolarHBondContact O-CB 3.4Å; K460-L464 PolarHBondContact O-N 3.1Å
461	R	97.2	Very high	93.2	Very high	56 Å²	56	53.3 Å²	53.3	21%	0.211	27%	0.272	C	S	.	.	H	α-helix	trans	-74.4	-38.9	179.4	-66.7	-72.9	-75	154.3	-7.5	112.5	V438 I443 D446 I452 A457 L458 R459 L464 M465	V438-R461 VanDerWaalsContact CG2-CZ 3.44Å; I443-R461 HydrophobicContact CD1-CB 4.12Å; I443-R461 HydrophobicContact CG1-CB 4.13Å; D446-R461 IonicContact OD2-CZ 3.42Å; D446-R461 IonicContact OD2-NE 3.93Å; D446-R461 IonicContact OD2-NH2 2.76Å; D446-R461 PolarHBondContact OD2-NH2 2.96Å; I452-R461 HydrophobicContact CD1-CB 4.19Å; I452-R461 HydrophobicContact CD1-CG 3.71Å; I452-R461 HydrophobicContact CG1-CG 4.14Å; A457-R461 VanDerWaalsContact O-CG 3.27Å; A457-R461 WeakPolarHBondContact O-CG 3Å; A457-R461 PolarHBondContact O-N 3.18Å; L458-R461 PolarHBondContact O-N 3.38Å; R459-R461 VanDerWaalsContact C-N 3.25Å; R459-R461 PolarHBondContact O-N 3.42Å; R461-L464 PolarHBondContact O-N 3.1Å; R461-M465 PolarHBondContact O-N 3.12Å
462	L	95.8	Very high	92.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-46.8	172.2	-70.4	171.2	0	0	0	111.4	L408 A411 L440 I443 L458 R459 L464 M465 F466 M491 F494	L408-L462 HydrophobicContact CD1-CD2 4.06Å; A411-L462 HydrophobicContact CB-CD2 4.34Å; L440-L462 HydrophobicContact CD2-CD2 4.38Å; I443-L462 HydrophobicContact CD1-CD2 4.11Å; L458-L462 HydrophobicContact CD1-CD1 4.41Å; L458-L462 HydrophobicContact CD1-CG 4.35Å; L458-L462 HydrophobicContact CG-CD1 4.35Å; L458-L462 PolarHBondContact O-N 2.98Å; R459-L462 PolarHBondContact O-N 3.17Å; L462-L464 VanDerWaalsContact C-N 3.33Å; L462-L464 PolarHBondContact O-N 3.29Å; L462-M465 HydrophobicContact CD2-CE 4.14Å; L462-M465 WeakPolarHBondContact O-CB 3.18Å; L462-M465 PolarHBondContact O-N 2.97Å; L462-M465 VanDerWaalsContact O-N 3.12Å; L462-F466 WeakPolarHBondContact O-CD2 3.25Å; L462-F466 PolarHBondContact O-N 3.25Å; L462-M491 HydrophobicContact CB-SD 4.03Å; L462-F494 HydrophobicContact CD1-CD2 3.83Å; L462-F494 HydrophobicContact CD1-CE2 3.94Å
463	V	93.7	Very high	91.7	Very high	53 Å²	53	49.8 Å²	49.8	32%	0.321	26%	0.259	S	S	.	.	H	α-helix	trans	-60.4	-42.5	176.7	171.7	0	0	0	0	111.4	R459 M465 F466 N467 M491	R459-V463 HydrophobicContact CG-CG2 4.49Å; R459-V463 WeakPolarHBondContact O-CG2 3.32Å; R459-V463 PolarHBondContact O-N 2.91Å; V463-M465 VanDerWaalsContact C-N 3.32Å; V463-M465 PolarHBondContact O-N 3.45Å; V463-F466 PolarHBondContact O-N 3.31Å; V463-N467 VanDerWaalsContact O-CB 3.31Å; V463-N467 WeakPolarHBondContact O-CB 3.41Å; V463-N467 VanDerWaalsContact O-CG 3.24Å; V463-N467 PolarHBondContact O-N 3.47Å; V463-M491 HydrophobicContact CG2-CE 3.71Å; V463-M491 HydrophobicContact CG2-SD 4.38Å
464	L	93.3	Very high	90.9	Very high	42 Å²	42	49.1 Å²	49.1	22%	0.22	25%	0.254	C	S	.	.	H	α-helix	trans	-60.8	-41.6	175	178	63.8	0	0	0	112	R436 V438 K460 R461 L462 N467 N468	R436-L464 HydrophobicContact CB-CD1 4.44Å; R436-L464 HydrophobicContact CB-CD2 4.07Å; V438-L464 HydrophobicContact CG1-CB 4.29Å; V438-L464 HydrophobicContact CG1-CD2 4.03Å; V438-L464 HydrophobicContact CG1-CG 3.85Å; K460-L464 WeakPolarHBondContact O-CB 3.4Å; K460-L464 PolarHBondContact O-N 3.1Å; R461-L464 PolarHBondContact O-N 3.1Å; L462-L464 VanDerWaalsContact C-N 3.33Å; L462-L464 PolarHBondContact O-N 3.29Å; L464-N467 PolarHBondContact O-N 3.29Å; L464-N468 WeakPolarHBondContact O-CB 3.36Å; L464-N468 PolarHBondContact O-N 2.85Å; L464-N468 PolarHBondContact O-ND2 3.39Å; L464-N468 PolarHBondContact O-OD1 3.43Å
465	M	96.6	Very high	89.7	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.015	26%	0.259	C	S	.	.	H	α-helix	trans	-59.4	-47	177.8	-175.3	-176.4	75.9	0	0	111.9	F420 V438 L440 I443 R461 L462 V463 A469	F420-M465 HydrophobicContact CB-CE 3.96Å; F420-M465 HydrophobicContact CB-CG 4.4Å; F420-M465 HydrophobicContact CB-SD 3.73Å; F420-M465 HydrophobicContact CD1-CE 3.98Å; F420-M465 HydrophobicContact CD1-CG 3.61Å; F420-M465 HydrophobicContact CD1-SD 3.99Å; F420-M465 HydrophobicContact CE1-CG 4.28Å; F420-M465 HydrophobicContact CG-CE 3.95Å; F420-M465 HydrophobicContact CG-CG 4.35Å; F420-M465 HydrophobicContact CG-SD 4.14Å; V438-M465 VanDerWaalsContact CG1-CA 3.49Å; V438-M465 HydrophobicContact CG1-CB 3.76Å; V438-M465 HydrophobicContact CG1-CG 4.41Å; L440-M465 HydrophobicContact CD2-CE 3.92Å; L440-M465 HydrophobicContact CD2-SD 3.84Å; L440-M465 HydrophobicContact CG-CE 4.33Å; L440-M465 HydrophobicContact CG-SD 3.9Å; I443-M465 HydrophobicContact CD1-SD 4.08Å; R461-M465 PolarHBondContact O-N 3.12Å; L462-M465 HydrophobicContact CD2-CE 4.14Å; L462-M465 WeakPolarHBondContact O-CB 3.18Å; L462-M465 PolarHBondContact O-N 2.97Å; L462-M465 VanDerWaalsContact O-N 3.12Å; V463-M465 VanDerWaalsContact C-N 3.32Å; V463-M465 PolarHBondContact O-N 3.45Å; M465-A469 PolarHBondContact O-N 3.36Å
466	F	91.2	Very high	88.5	Confident	1 Å²	1	55.7 Å²	55.7	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-68.7	-43.1	176.4	-67.6	-59.9	0	0	0	112.4	F420 L462 V463 N468 A469 F470 M486 C487 V490 M491	F420-F466 HydrophobicContact CD2-CE1 4.41Å; F420-F466 AromaticContact CE1-CD1 3.94Å; F420-F466 HydrophobicContact CE1-CD1 3.94Å; F420-F466 HydrophobicContact CE1-CE1 4.25Å; F420-F466 HydrophobicContact CE2-CD1 4.24Å; F420-F466 AromaticContact CE2-CE1 3.87Å; F420-F466 HydrophobicContact CE2-CE1 3.87Å; F420-F466 AromaticContact CZ-CD1 3.65Å; F420-F466 HydrophobicContact CZ-CD1 3.65Å; F420-F466 AromaticContact CZ-CE1 3.76Å; F420-F466 HydrophobicContact CZ-CE1 3.76Å; L462-F466 WeakPolarHBondContact O-CD2 3.25Å; L462-F466 PolarHBondContact O-N 3.25Å; V463-F466 PolarHBondContact O-N 3.31Å; F466-N468 VanDerWaalsContact C-N 3.35Å; F466-N468 PolarHBondContact O-N 2.8Å; F466-A469 CarbonylContact O-C 3.58Å; F466-A469 WeakPolarHBondContact O-CA 3.38Å; F466-A469 WeakPolarHBondContact O-CB 3.44Å; F466-A469 PolarHBondContact O-N 3.02Å; F466-F470 HydrophobicContact CB-CD2 4.4Å; F466-F470 HydrophobicContact CB-CE2 3.76Å; F466-F470 HydrophobicContact CB-CZ 4.06Å; F466-F470 VanDerWaalsContact O-CD2 3.27Å; F466-F470 WeakPolarHBondContact O-CD2 3.43Å; F466-F470 VanDerWaalsContact O-CG 3.3Å; F466-F470 WeakPolarHBondContact O-CG 3.34Å; F466-F470 PolarHBondContact O-N 3.04Å; F466-M486 HydrophobicContact CE1-CB 4.45Å; F466-M486 HydrophobicContact CE1-CE 4.42Å; F466-M486 HydrophobicContact CE1-CG 3.98Å; F466-M486 HydrophobicContact CE1-SD 4.45Å; F466-M486 HydrophobicContact CZ-CE 4.31Å; F466-M486 HydrophobicContact CZ-CG 4.14Å; F466-C487 HydrophobicContact CB-CB 4.3Å; F466-C487 HydrophobicContact CD1-CB 3.67Å; F466-C487 HydrophobicContact CD2-CB 4.02Å; F466-C487 HydrophobicContact CE1-CB 3.91Å; F466-C487 HydrophobicContact CE2-CB 4.23Å; F466-C487 HydrophobicContact CG-CB 3.74Å; F466-C487 HydrophobicContact CZ-CB 4.18Å; F466-V490 HydrophobicContact CE2-CG1 4.39Å; F466-V490 HydrophobicContact CZ-CB 4.25Å; F466-V490 HydrophobicContact CZ-CG1 4.4Å; F466-M491 HydrophobicContact CD2-SD 4.4Å; F466-M491 HydrophobicContact CE2-CG 4.33Å; F466-M491 HydrophobicContact CE2-SD 4.18Å
467	N	88.9	Confident	87.7	Confident	85 Å²	85	54.4 Å²	54.4	46%	0.455	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-40.2	178.9	-75.7	-7.5	0	0	0	112.6	V463 L464 A469 F470 F471	V463-N467 VanDerWaalsContact O-CB 3.31Å; V463-N467 WeakPolarHBondContact O-CB 3.41Å; V463-N467 VanDerWaalsContact O-CG 3.24Å; V463-N467 PolarHBondContact O-N 3.47Å; L464-N467 PolarHBondContact O-N 3.29Å; N467-A469 PolarHBondContact O-N 3.05Å; N467-F470 PolarHBondContact O-N 2.93Å; N467-F471 WeakPolarHBondContact O-CB 3.47Å; N467-F471 PolarHBondContact O-N 3.4Å
468	N	87.2	Confident	87.1	Confident	16 Å²	16	57.7 Å²	57.7	9%	0.086	29%	0.288	C	S	.	.	H	α-helix	trans	-58.1	-41	173.5	-74.7	-13.2	0	0	0	111.3	V434 R436 L464 F466 F472	V434-N468 HydrophobicContact CG1-CB 3.78Å; R436-N468 PolarHBondContact O-ND2 3.11Å; L464-N468 WeakPolarHBondContact O-CB 3.36Å; L464-N468 PolarHBondContact O-N 2.85Å; L464-N468 PolarHBondContact O-ND2 3.39Å; L464-N468 PolarHBondContact O-OD1 3.43Å; F466-N468 VanDerWaalsContact C-N 3.35Å; F466-N468 PolarHBondContact O-N 2.8Å; N468-F472 WeakPolarHBondContact O-CB 3.45Å; N468-F472 PolarHBondContact O-N 2.94Å; N468-F472 VanDerWaalsContact O-N 3.08Å
469	A	84.5	Confident	86.5	Confident	7 Å²	7	59.9 Å²	59.9	6%	0.058	30%	0.3	C	S	.	.	H	α-helix	trans	-69.9	-43.2	178.6	0	0	0	0	0	112.2	F420 M465 F466 N467 F471 F472 N473 M483	F420-A469 HydrophobicContact CE1-CB 3.68Å; F420-A469 HydrophobicContact CZ-CB 4.16Å; M465-A469 PolarHBondContact O-N 3.36Å; F466-A469 CarbonylContact O-C 3.58Å; F466-A469 WeakPolarHBondContact O-CA 3.38Å; F466-A469 WeakPolarHBondContact O-CB 3.44Å; F466-A469 PolarHBondContact O-N 3.02Å; N467-A469 PolarHBondContact O-N 3.05Å; A469-F471 VanDerWaalsContact C-N 3.3Å; A469-F471 PolarHBondContact O-N 3.5Å; A469-F472 PolarHBondContact O-N 3.48Å; A469-N473 VanDerWaalsContact O-CB 3.31Å; A469-N473 WeakPolarHBondContact O-CB 3.43Å; A469-N473 PolarHBondContact O-N 3.2Å; A469-N473 PolarHBondContact O-ND2 2.77Å; A469-M483 HydrophobicContact CB-CE 4.46Å; A469-M483 HydrophobicContact CB-SD 3.65Å
470	F	84.7	Confident	85.6	Confident	44 Å²	44	58 Å²	58	19%	0.193	29%	0.293	C	S	.	.	H	α-helix	trans	-67.7	-31.3	177.2	-57.9	-35.7	0	0	0	113.3	F466 N467 Y480 M483 I484 C487	F466-F470 HydrophobicContact CB-CD2 4.4Å; F466-F470 HydrophobicContact CB-CE2 3.76Å; F466-F470 HydrophobicContact CB-CZ 4.06Å; F466-F470 VanDerWaalsContact O-CD2 3.27Å; F466-F470 WeakPolarHBondContact O-CD2 3.43Å; F466-F470 VanDerWaalsContact O-CG 3.3Å; F466-F470 WeakPolarHBondContact O-CG 3.34Å; F466-F470 PolarHBondContact O-N 3.04Å; N467-F470 PolarHBondContact O-N 2.93Å; F470-Y480 HydrophobicContact CB-CE2 4.13Å; F470-Y480 HydrophobicContact CD1-CE2 4.08Å; F470-M483 HydrophobicContact CE1-CB 3.96Å; F470-I484 HydrophobicContact CD1-CG1 4.19Å; F470-I484 HydrophobicContact CE1-CB 4.4Å; F470-I484 HydrophobicContact CE1-CG1 3.53Å; F470-I484 HydrophobicContact CZ-CG1 3.95Å; F470-C487 HydrophobicContact CE2-CB 4.29Å; F470-C487 HydrophobicContact CZ-CB 3.69Å
471	F	81.9	Confident	85.1	Confident	138 Å²	138	57.1 Å²	57.1	61%	0.605	29%	0.291	S	S	*	.	H	α-helix	trans	-75.1	-38.7	178.1	-175.5	-111.9	0	0	0	112.1	I433 N467 A469	I433-F471 HydrophobicContact CG2-CD1 3.56Å; I433-F471 HydrophobicContact CG2-CE1 3.25Å; I433-F471 HydrophobicContact CG2-CZ 4.26Å; N467-F471 WeakPolarHBondContact O-CB 3.47Å; N467-F471 PolarHBondContact O-N 3.4Å; A469-F471 VanDerWaalsContact C-N 3.3Å; A469-F471 PolarHBondContact O-N 3.5Å
472	F	82.6	Confident	84.6	Confident	52 Å²	52	59.7 Å²	59.7	23%	0.228	30%	0.301	C	S	.	.	H	α-helix	trans	-80.7	-41.8	-178.2	-177.4	-99.8	0	0	0	113.1	I427 A429 Y430 I433 V434 N468 A469	I427-F472 HydrophobicContact CG2-CE1 4.48Å; I427-F472 HydrophobicContact CG2-CE2 4.5Å; I427-F472 HydrophobicContact CG2-CZ 3.73Å; A429-F472 HydrophobicContact CB-CE2 4.22Å; Y430-F472 VanDerWaalsContact CA-CE2 3.43Å; Y430-F472 HydrophobicContact CD2-CB 4.08Å; Y430-F472 AromaticContact CD2-CD1 3.62Å; Y430-F472 HydrophobicContact CD2-CD1 3.62Å; Y430-F472 AromaticContact CD2-CD2 3.6Å; Y430-F472 HydrophobicContact CD2-CD2 3.6Å; Y430-F472 AromaticContact CD2-CE1 3.91Å; Y430-F472 HydrophobicContact CD2-CE1 3.91Å; Y430-F472 AromaticContact CD2-CE2 3.91Å; Y430-F472 HydrophobicContact CD2-CE2 3.91Å; Y430-F472 AromaticContact CD2-CG 3.45Å; Y430-F472 HydrophobicContact CD2-CG 3.45Å; Y430-F472 VanDerWaalsContact CD2-CG 3.45Å; Y430-F472 HydrophobicContact CD2-CZ 4.06Å; Y430-F472 HydrophobicContact CE2-CB 4.05Å; Y430-F472 HydrophobicContact CE2-CD1 4.11Å; Y430-F472 HydrophobicContact CE2-CD2 4.39Å; Y430-F472 AromaticContact CE2-CG 3.91Å; Y430-F472 HydrophobicContact CE2-CG 3.91Å; Y430-F472 HydrophobicContact CG-CD2 4.26Å; Y430-F472 HydrophobicContact CG-CE2 4.3Å; I433-F472 HydrophobicContact CB-CD2 4.37Å; I433-F472 HydrophobicContact CD1-CD2 4.34Å; I433-F472 HydrophobicContact CD1-CE2 4.3Å; I433-F472 HydrophobicContact CG2-CD2 4.32Å; V434-F472 HydrophobicContact CG2-CB 3.98Å; V434-F472 HydrophobicContact CG2-CD2 4.35Å; V434-F472 HydrophobicContact CG2-CG 4.48Å; N468-F472 WeakPolarHBondContact O-CB 3.45Å; N468-F472 PolarHBondContact O-N 2.94Å; N468-F472 VanDerWaalsContact O-N 3.08Å; A469-F472 PolarHBondContact O-N 3.48Å
473	N	80.7	Confident	84.2	Confident	33 Å²	33	59.8 Å²	59.8	18%	0.176	30%	0.301	C	S	.	.	S	Bend	trans	-86.6	140.3	-173.2	-63.5	-81.7	0	0	0	111.2	A469 Y480 M483	A469-N473 VanDerWaalsContact O-CB 3.31Å; A469-N473 WeakPolarHBondContact O-CB 3.43Å; A469-N473 PolarHBondContact O-N 3.2Å; A469-N473 PolarHBondContact O-ND2 2.77Å; N473-Y480 HydrophobicContact CB-CD2 4.2Å; N473-Y480 WeakPolarHBondContact O-CD2 3.14Å; N473-M483 HydrophobicContact CB-CE 3.64Å; N473-M483 WeakPolarHBondContact ND2-CE 3.38Å
474	S	79.2	Confident	83.9	Confident	64 Å²	64	60.4 Å²	60.4	45%	0.448	30%	0.302	S	S	.	.			trans	-67.3	140.3	175.5	177.7	0	0	0	0	110.7	F476 D477 Y480	S474-F476 PolarHBondContact O-N 3.15Å; S474-F476 WeakPolarHBondContact OG-CD2 3.48Å; S474-F476 PolarHBondContact OG-N 2.92Å; S474-D477 WeakPolarHBondContact O-CB 3.47Å; S474-D477 PolarHBondContact O-N 3.1Å; S474-Y480 WeakPolarHBondContact O-CB 3.48Å
475	V	69.4	Low	83.6	Confident	68 Å²	68	62.1 Å²	62.1	41%	0.412	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-22.3	170.9	-60.1	0	0	0	0	112.5	R180 Y480	R180-V475 PolarHBondContact NH1-O 3.03Å; V475-Y480 HydrophobicContact CB-CD1 4.34Å; V475-Y480 HydrophobicContact CB-CE1 4.21Å; V475-Y480 HydrophobicContact CG1-CD1 4.37Å; V475-Y480 HydrophobicContact CG1-CE1 3.78Å; V475-Y480 HydrophobicContact CG1-CE2 4.1Å
476	F	73	Confident	83.5	Confident	147 Å²	147	62 Å²	62	65%	0.645	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-10	178.9	-56.8	-68.8	0	0	0	114	S474	S474-F476 PolarHBondContact O-N 3.15Å; S474-F476 WeakPolarHBondContact OG-CD2 3.48Å; S474-F476 PolarHBondContact OG-N 2.92Å
477	D	77.8	Confident	83.5	Confident	67 Å²	67	63.1 Å²	63.1	36%	0.358	32%	0.318	S	S	.	.	S	Bend	trans	-76.1	127.8	175.1	-164.9	-42.7	0	0	0	109.9	S474 L479 Y480	S474-D477 WeakPolarHBondContact O-CB 3.47Å; S474-D477 PolarHBondContact O-N 3.1Å; D477-L479 PolarHBondContact O-N 2.79Å; D477-L479 VanDerWaalsContact O-N 3.08Å; D477-L479 WeakPolarHBondContact OD1-CB 3.35Å; D477-L479 PolarHBondContact OD1-N 2.74Å; D477-Y480 WeakPolarHBondContact O-CB 3.1Å; D477-Y480 PolarHBondContact O-N 3.41Å
478	P	81.2	Confident	83.5	Confident	98 Å²	98	62.4 Å²	62.4	64%	0.636	32%	0.317	S	S	*	.	H	α-helix	trans	-53.8	-25.3	172.2	-26	35	0	0	0	114.1	Y480	P478-Y480 VanDerWaalsContact C-N 3.26Å; P478-Y480 PolarHBondContact O-N 2.83Å
479	L	85.2	Confident	83.7	Confident	47 Å²	47	65.2 Å²	65.2	25%	0.246	33%	0.332	C	S	.	.	H	α-helix	trans	-62.6	-34.7	173	-170.2	65.6	0	0	0	111.8	I419 D477 E481 R482 M483	I419-L479 HydrophobicContact CD1-CD1 3.61Å; I419-L479 HydrophobicContact CG1-CD1 4.03Å; I419-L479 HydrophobicContact CG2-CD1 4.16Å; D477-L479 PolarHBondContact O-N 2.79Å; D477-L479 VanDerWaalsContact O-N 3.08Å; D477-L479 WeakPolarHBondContact OD1-CB 3.35Å; D477-L479 PolarHBondContact OD1-N 2.74Å; L479-E481 VanDerWaalsContact C-N 3.31Å; L479-E481 PolarHBondContact O-N 3.29Å; L479-R482 PolarHBondContact O-N 3.4Å; L479-M483 HydrophobicContact CB-CE 4.31Å; L479-M483 HydrophobicContact CD2-CE 4.19Å; L479-M483 HydrophobicContact CD2-SD 4.19Å; L479-M483 HydrophobicContact CG-CE 3.83Å; L479-M483 HydrophobicContact CG-CG 4.27Å; L479-M483 HydrophobicContact CG-SD 3.96Å; L479-M483 WeakPolarHBondContact O-CE 3.24Å; L479-M483 VanDerWaalsContact O-CG 3.3Å; L479-M483 WeakPolarHBondContact O-CG 3.22Å; L479-M483 PolarHBondContact O-N 2.87Å
480	Y	79.2	Confident	84	Confident	47 Å²	47	65 Å²	65	18%	0.184	33%	0.33	C	S	.	.	H	α-helix	trans	-58.3	-43.4	-177.8	-166.4	-91.8	0	0	0	112.1	F470 N473 S474 V475 D477 P478 M483 I484	F470-Y480 HydrophobicContact CB-CE2 4.13Å; F470-Y480 HydrophobicContact CD1-CE2 4.08Å; N473-Y480 HydrophobicContact CB-CD2 4.2Å; N473-Y480 WeakPolarHBondContact O-CD2 3.14Å; S474-Y480 WeakPolarHBondContact O-CB 3.48Å; V475-Y480 HydrophobicContact CB-CD1 4.34Å; V475-Y480 HydrophobicContact CB-CE1 4.21Å; V475-Y480 HydrophobicContact CG1-CD1 4.37Å; V475-Y480 HydrophobicContact CG1-CE1 3.78Å; V475-Y480 HydrophobicContact CG1-CE2 4.1Å; D477-Y480 WeakPolarHBondContact O-CB 3.1Å; D477-Y480 PolarHBondContact O-N 3.41Å; P478-Y480 VanDerWaalsContact C-N 3.26Å; P478-Y480 PolarHBondContact O-N 2.83Å; Y480-M483 PolarHBondContact O-N 2.68Å; Y480-I484 HydrophobicContact CD1-CD1 3.57Å; Y480-I484 HydrophobicContact CD1-CG1 4.24Å; Y480-I484 HydrophobicContact CE1-CD1 3.19Å; Y480-I484 HydrophobicContact CE1-CG1 4.05Å; Y480-I484 PolarHBondContact O-N 3.24Å
481	E	83.1	Confident	84.5	Confident	131 Å²	131	63.7 Å²	63.7	61%	0.612	33%	0.325	S	S	*	.	H	α-helix	trans	-62	-47.8	176.7	-176.3	178.1	-176.8	0	0	111.8	L479 M483 I484 L485	L479-E481 VanDerWaalsContact C-N 3.31Å; L479-E481 PolarHBondContact O-N 3.29Å; E481-M483 VanDerWaalsContact C-N 3.26Å; E481-M483 PolarHBondContact O-N 2.91Å; E481-I484 PolarHBondContact O-N 3.05Å; E481-I484 VanDerWaalsContact O-N 3.16Å; E481-L485 HydrophobicContact CG-CD1 4.29Å; E481-L485 WeakPolarHBondContact O-CG 3.09Å; E481-L485 PolarHBondContact O-N 3.38Å
482	R	88.1	Confident	85	Confident	110 Å²	110	61.6 Å²	61.6	42%	0.415	32%	0.32	S	S	.	.	H	α-helix	trans	-59.8	-38.1	177.1	-66.9	175.4	63.2	-166.3	0.9	112	D416 I419 L479 M486	D416-R482 IonicContact OD1-CZ 2.6Å; D416-R482 IonicContact OD1-NE 3.42Å; D416-R482 PolarHBondContact OD1-NE 2.91Å; D416-R482 IonicContact OD1-NH2 3.83Å; D416-R482 PolarHBondContact OD1-NH2 3.1Å; I419-R482 HydrophobicContact CD1-CB 4.29Å; L479-R482 PolarHBondContact O-N 3.4Å; R482-M486 WeakPolarHBondContact O-CB 3.45Å; R482-M486 PolarHBondContact O-N 2.89Å
483	M	86.7	Confident	85.6	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-70	-35.9	177.7	-68.3	-177.3	-60.2	0	0	112.6	I419 F420 A469 F470 N473 L479 Y480 E481 C487	I419-M483 HydrophobicContact CD1-CG 4.41Å; I419-M483 HydrophobicContact CG2-CG 4.17Å; I419-M483 HydrophobicContact CG2-SD 4.13Å; F420-M483 HydrophobicContact CE2-CB 4.41Å; F420-M483 HydrophobicContact CE2-CG 3.93Å; F420-M483 HydrophobicContact CZ-CB 3.93Å; F420-M483 HydrophobicContact CZ-CG 3.59Å; F420-M483 HydrophobicContact CZ-SD 3.99Å; A469-M483 HydrophobicContact CB-CE 4.46Å; A469-M483 HydrophobicContact CB-SD 3.65Å; F470-M483 HydrophobicContact CE1-CB 3.96Å; N473-M483 HydrophobicContact CB-CE 3.64Å; N473-M483 WeakPolarHBondContact ND2-CE 3.38Å; L479-M483 HydrophobicContact CB-CE 4.31Å; L479-M483 HydrophobicContact CD2-CE 4.19Å; L479-M483 HydrophobicContact CD2-SD 4.19Å; L479-M483 HydrophobicContact CG-CE 3.83Å; L479-M483 HydrophobicContact CG-CG 4.27Å; L479-M483 HydrophobicContact CG-SD 3.96Å; L479-M483 WeakPolarHBondContact O-CE 3.24Å; L479-M483 VanDerWaalsContact O-CG 3.3Å; L479-M483 WeakPolarHBondContact O-CG 3.22Å; L479-M483 PolarHBondContact O-N 2.87Å; Y480-M483 PolarHBondContact O-N 2.68Å; E481-M483 VanDerWaalsContact C-N 3.26Å; E481-M483 PolarHBondContact O-N 2.91Å; M483-C487 VanDerWaalsContact O-CB 3.32Å; M483-C487 WeakPolarHBondContact O-CB 3.41Å; M483-C487 PolarHBondContact O-N 2.84Å
484	I	86.4	Confident	86.3	Confident	66 Å²	66	59.3 Å²	59.3	34%	0.338	32%	0.315	S	S	.	.	H	α-helix	trans	-66.6	-49.7	173.7	-73.4	176.7	0	0	0	110.6	F470 Y480 E481 M486 C487 V488	F470-I484 HydrophobicContact CD1-CG1 4.19Å; F470-I484 HydrophobicContact CE1-CB 4.4Å; F470-I484 HydrophobicContact CE1-CG1 3.53Å; F470-I484 HydrophobicContact CZ-CG1 3.95Å; Y480-I484 HydrophobicContact CD1-CD1 3.57Å; Y480-I484 HydrophobicContact CD1-CG1 4.24Å; Y480-I484 HydrophobicContact CE1-CD1 3.19Å; Y480-I484 HydrophobicContact CE1-CG1 4.05Å; Y480-I484 PolarHBondContact O-N 3.24Å; E481-I484 PolarHBondContact O-N 3.05Å; E481-I484 VanDerWaalsContact O-N 3.16Å; I484-M486 VanDerWaalsContact C-N 3.31Å; I484-M486 PolarHBondContact O-N 3.06Å; I484-C487 WeakPolarHBondContact O-CB 3.3Å; I484-C487 PolarHBondContact O-N 3.12Å; I484-V488 HydrophobicContact CG2-CG2 4.39Å; I484-V488 WeakPolarHBondContact O-CG2 3.15Å; I484-V488 PolarHBondContact O-N 2.91Å
485	L	88.7	Confident	86.9	Confident	79 Å²	79	58.9 Å²	58.9	41%	0.414	31%	0.307	S	S	.	.	H	α-helix	trans	-57.5	-47.5	179.8	-69.8	174.4	0	0	0	110.6	E481 C487 V488 D489	E481-L485 HydrophobicContact CG-CD1 4.29Å; E481-L485 WeakPolarHBondContact O-CG 3.09Å; E481-L485 PolarHBondContact O-N 3.38Å; L485-C487 VanDerWaalsContact C-N 3.34Å; L485-C487 PolarHBondContact O-N 2.83Å; L485-V488 PolarHBondContact O-N 2.87Å; L485-D489 WeakPolarHBondContact O-CB 3.44Å; L485-D489 VanDerWaalsContact O-CG 3.26Å; L485-D489 PolarHBondContact O-N 3.21Å
486	M	94.7	Very high	88.1	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59.3	-42.3	174.3	179.7	170.8	171	0	0	112.7	A411 H414 D416 F420 F466 R482 I484 V490	A411-M486 HydrophobicContact CB-CE 4.49Å; H414-M486 HydrophobicContact CB-CE 4.4Å; H414-M486 HydrophobicContact CB-CG 4.44Å; H414-M486 VanDerWaalsContact CE1-CB 3.46Å; H414-M486 WeakPolarHBondContact CE1-CB 3.47Å; H414-M486 VanDerWaalsContact ND1-CG 3.31Å; H414-M486 WeakPolarHBondContact ND1-CG 3.37Å; D416-M486 VanDerWaalsContact C-SD 3.58Å; D416-M486 HydrophobicContact CB-CB 4.33Å; D416-M486 HydrophobicContact CB-SD 3.98Å; F420-M486 HydrophobicContact CD2-CE 3.84Å; F420-M486 HydrophobicContact CD2-SD 3.48Å; F420-M486 WeakPolarHBondContact CD2-SD 3.31Å; F420-M486 HydrophobicContact CE2-CE 4.4Å; F420-M486 HydrophobicContact CE2-SD 3.61Å; F466-M486 HydrophobicContact CE1-CB 4.45Å; F466-M486 HydrophobicContact CE1-CE 4.42Å; F466-M486 HydrophobicContact CE1-CG 3.98Å; F466-M486 HydrophobicContact CE1-SD 4.45Å; F466-M486 HydrophobicContact CZ-CE 4.31Å; F466-M486 HydrophobicContact CZ-CG 4.14Å; R482-M486 WeakPolarHBondContact O-CB 3.45Å; R482-M486 PolarHBondContact O-N 2.89Å; I484-M486 VanDerWaalsContact C-N 3.31Å; I484-M486 PolarHBondContact O-N 3.06Å; M486-V490 HydrophobicContact CE-CG2 4.14Å; M486-V490 HydrophobicContact CG-CG2 3.9Å; M486-V490 WeakPolarHBondContact O-CB 3.26Å; M486-V490 WeakPolarHBondContact O-CG2 3.31Å; M486-V490 PolarHBondContact O-N 3.34Å
487	C	89.4	Confident	89.2	Confident	24 Å²	24	60.7 Å²	60.7	16%	0.162	31%	0.308	C	S	.	.	H	α-helix	trans	-59.9	-49.1	177.9	-179.1	0	0	0	0	111.1	F466 F470 M483 I484 L485 M491	F466-C487 HydrophobicContact CB-CB 4.3Å; F466-C487 HydrophobicContact CD1-CB 3.67Å; F466-C487 HydrophobicContact CD2-CB 4.02Å; F466-C487 HydrophobicContact CE1-CB 3.91Å; F466-C487 HydrophobicContact CE2-CB 4.23Å; F466-C487 HydrophobicContact CG-CB 3.74Å; F466-C487 HydrophobicContact CZ-CB 4.18Å; F470-C487 HydrophobicContact CE2-CB 4.29Å; F470-C487 HydrophobicContact CZ-CB 3.69Å; M483-C487 VanDerWaalsContact O-CB 3.32Å; M483-C487 WeakPolarHBondContact O-CB 3.41Å; M483-C487 PolarHBondContact O-N 2.84Å; I484-C487 WeakPolarHBondContact O-CB 3.3Å; I484-C487 PolarHBondContact O-N 3.12Å; L485-C487 VanDerWaalsContact C-N 3.34Å; L485-C487 PolarHBondContact O-N 2.83Å; C487-M491 WeakPolarHBondContact O-CB 3.42Å; C487-M491 WeakPolarHBondContact O-CG 3.42Å; C487-M491 PolarHBondContact O-N 2.85Å
488	V	90.2	Very high	90	Very high	70 Å²	70	58.2 Å²	58.2	42%	0.424	30%	0.295	S	S	.	.	H	α-helix	trans	-61.7	-50.6	179.5	175	0	0	0	0	110.7	I484 L485 V490 M491 N492	I484-V488 HydrophobicContact CG2-CG2 4.39Å; I484-V488 WeakPolarHBondContact O-CG2 3.15Å; I484-V488 PolarHBondContact O-N 2.91Å; L485-V488 PolarHBondContact O-N 2.87Å; V488-V490 PolarHBondContact O-N 2.96Å; V488-M491 PolarHBondContact O-N 3.27Å; V488-N492 WeakPolarHBondContact CG1-ND2 3.22Å; V488-N492 VanDerWaalsContact O-CB 3.27Å; V488-N492 WeakPolarHBondContact O-CB 3.43Å; V488-N492 PolarHBondContact O-N 3.03Å; V488-N492 PolarHBondContact O-ND2 2.94Å
489	D	91.4	Very high	90.6	Very high	76 Å²	76	56.1 Å²	56.1	41%	0.406	29%	0.287	S	S	.	.	H	α-helix	trans	-61	-48.4	-177.7	-69.5	-11.9	0	0	0	111.4	H414 L485 A493	H414-D489 IonicContact NE2-OD2 2.84Å; H414-D489 PolarHBondContact NE2-OD2 3.13Å; L485-D489 WeakPolarHBondContact O-CB 3.44Å; L485-D489 VanDerWaalsContact O-CG 3.26Å; L485-D489 PolarHBondContact O-N 3.21Å; D489-A493 VanDerWaalsContact O-CB 3.31Å; D489-A493 WeakPolarHBondContact O-CB 3.43Å; D489-A493 PolarHBondContact O-N 2.93Å
490	V	91.4	Very high	90.9	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.012	29%	0.29	C	S	.	.	H	α-helix	trans	-66.8	-44.6	-179.5	170.5	0	0	0	0	111.4	I410 A411 H414 F466 M486 V488 F494	I410-V490 HydrophobicContact CG2-CG1 4.39Å; A411-V490 HydrophobicContact CB-CG1 3.86Å; A411-V490 HydrophobicContact CB-CG2 4.31Å; H414-V490 HydrophobicContact CB-CG2 4.05Å; F466-V490 HydrophobicContact CE2-CG1 4.39Å; F466-V490 HydrophobicContact CZ-CB 4.25Å; F466-V490 HydrophobicContact CZ-CG1 4.4Å; M486-V490 HydrophobicContact CE-CG2 4.14Å; M486-V490 HydrophobicContact CG-CG2 3.9Å; M486-V490 WeakPolarHBondContact O-CB 3.26Å; M486-V490 WeakPolarHBondContact O-CG2 3.31Å; M486-V490 PolarHBondContact O-N 3.34Å; V488-V490 PolarHBondContact O-N 2.96Å; V490-F494 WeakPolarHBondContact O-CB 3.14Å; V490-F494 PolarHBondContact O-N 3.39Å
491	M	95.4	Very high	91.5	Very high	17 Å²	17	56.7 Å²	56.7	8%	0.084	29%	0.291	C	S	.	.	H	α-helix	trans	-71.4	-34.7	-176.2	-64.1	-57	-57.6	0	0	111.9	R459 L462 V463 F466 C487 V488 D495	R459-M491 HydrophobicContact CG-CE 3.84Å; L462-M491 HydrophobicContact CB-SD 4.03Å; V463-M491 HydrophobicContact CG2-CE 3.71Å; V463-M491 HydrophobicContact CG2-SD 4.38Å; F466-M491 HydrophobicContact CD2-SD 4.4Å; F466-M491 HydrophobicContact CE2-CG 4.33Å; F466-M491 HydrophobicContact CE2-SD 4.18Å; C487-M491 WeakPolarHBondContact O-CB 3.42Å; C487-M491 WeakPolarHBondContact O-CG 3.42Å; C487-M491 PolarHBondContact O-N 2.85Å; V488-M491 PolarHBondContact O-N 3.27Å; M491-D495 WeakPolarHBondContact O-CB 3.17Å; M491-D495 PolarHBondContact O-N 3.14Å
492	N	91.6	Very high	91.6	Very high	94 Å²	94	57.3 Å²	57.3	50%	0.503	29%	0.294	S	S	.	.	H	α-helix	trans	-67.1	-50.2	173.7	-73	-19.4	0	0	0	111.6	V488 F494 D495 E496	V488-N492 WeakPolarHBondContact CG1-ND2 3.22Å; V488-N492 VanDerWaalsContact O-CB 3.27Å; V488-N492 WeakPolarHBondContact O-CB 3.43Å; V488-N492 PolarHBondContact O-N 3.03Å; V488-N492 PolarHBondContact O-ND2 2.94Å; N492-F494 VanDerWaalsContact C-N 3.27Å; N492-F494 PolarHBondContact O-N 3.38Å; N492-D495 PolarHBondContact O-N 2.91Å; N492-E496 PolarHBondContact O-N 2.82Å
493	A	94.3	Very high	91.3	Very high	35 Å²	35	56.7 Å²	56.7	29%	0.289	31%	0.307	S	S	.	.	H	α-helix	trans	-62.7	-36	177.7	0	0	0	0	0	111.9	I410 D489 R497	I410-A493 HydrophobicContact CG2-CB 3.59Å; D489-A493 VanDerWaalsContact O-CB 3.31Å; D489-A493 WeakPolarHBondContact O-CB 3.43Å; D489-A493 PolarHBondContact O-N 2.93Å; A493-R497 VanDerWaalsContact O-CB 3.29Å; A493-R497 WeakPolarHBondContact O-CB 3.43Å; A493-R497 PolarHBondContact O-N 2.87Å
494	F	95.7	Very high	90.8	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.009	35%	0.352	C	S	.	.	H	α-helix	trans	-60.7	-49.6	172.8	-178.7	-82.5	0	0	0	111.4	L407 I410 I455 L458 R459 L462 V490 N492 R497 V498	L407-F494 HydrophobicContact CB-CD2 4.09Å; L407-F494 HydrophobicContact CB-CE2 3.78Å; L407-F494 HydrophobicContact CD1-CE2 4.17Å; L407-F494 HydrophobicContact CD1-CZ 4.3Å; L407-F494 HydrophobicContact CD2-CD2 4.34Å; L407-F494 HydrophobicContact CD2-CE2 4.39Å; L407-F494 HydrophobicContact CG-CE2 4.35Å; I410-F494 HydrophobicContact CD1-CB 4.42Å; I455-F494 HydrophobicContact CG2-CE1 4.03Å; I455-F494 HydrophobicContact CG2-CZ 3.84Å; L458-F494 HydrophobicContact CD2-CE2 3.73Å; L458-F494 HydrophobicContact CD2-CZ 4.34Å; L458-F494 HydrophobicContact CG-CE2 3.84Å; L458-F494 HydrophobicContact CG-CZ 4.26Å; R459-F494 HydrophobicContact CB-CE1 3.92Å; R459-F494 HydrophobicContact CB-CZ 4.08Å; R459-F494 HydrophobicContact CG-CE1 4.22Å; L462-F494 HydrophobicContact CD1-CD2 3.83Å; L462-F494 HydrophobicContact CD1-CE2 3.94Å; V490-F494 WeakPolarHBondContact O-CB 3.14Å; V490-F494 PolarHBondContact O-N 3.39Å; N492-F494 VanDerWaalsContact C-N 3.27Å; N492-F494 PolarHBondContact O-N 3.38Å; F494-R497 PolarHBondContact O-N 2.93Å; F494-V498 HydrophobicContact CD1-CG2 3.95Å; F494-V498 HydrophobicContact CE1-CG2 3.63Å; F494-V498 HydrophobicContact CZ-CG2 4.07Å; F494-V498 VanDerWaalsContact O-CG2 3.26Å; F494-V498 WeakPolarHBondContact O-CG2 3.44Å; F494-V498 PolarHBondContact O-N 3.37Å
495	D	92.5	Very high	91	Very high	54 Å²	54	66.4 Å²	66.4	29%	0.289	35%	0.353	S	S	.	.	H	α-helix	trans	-65.5	-41.1	-178.9	-77.1	-26	0	0	0	112.3	R459 M491 N492 V498 A499	R459-D495 IonicContact CZ-OD1 3.88Å; R459-D495 VanDerWaalsContact CZ-OD1 3.29Å; R459-D495 IonicContact CZ-OD2 3.19Å; R459-D495 VanDerWaalsContact CZ-OD2 3.27Å; R459-D495 IonicContact NH1-OD1 2.91Å; R459-D495 PolarHBondContact NH1-OD1 3.19Å; R459-D495 IonicContact NH1-OD2 2.66Å; R459-D495 PolarHBondContact NH1-OD2 3.05Å; R459-D495 IonicContact NH2-OD1 2.99Å; R459-D495 IonicContact NH2-OD2 3.86Å; R459-D495 PolarHBondContact NH2-OD2 3.39Å; M491-D495 WeakPolarHBondContact O-CB 3.17Å; M491-D495 PolarHBondContact O-N 3.14Å; N492-D495 PolarHBondContact O-N 2.91Å; D495-V498 PolarHBondContact O-N 3.06Å; D495-A499 WeakPolarHBondContact O-CB 3.43Å; D495-A499 PolarHBondContact O-N 3.4Å
496	E	94.6	Very high	91.1	Very high	134 Å²	134	65.7 Å²	65.7	63%	0.626	35%	0.35	S	S	*	.	H	α-helix	trans	-59.9	-46.4	173.6	-175.7	179.3	-173	0	0	111.3	N492 V498 A499 I500	N492-E496 PolarHBondContact O-N 2.82Å; E496-V498 PolarHBondContact O-N 2.76Å; E496-A499 PolarHBondContact O-N 3.09Å; E496-I500 HydrophobicContact CG-CD1 4.28Å; E496-I500 WeakPolarHBondContact O-CG1 3.29Å; E496-I500 PolarHBondContact O-N 2.83Å
497	R	95.4	Very high	90.9	Very high	119 Å²	119	69.4 Å²	69.4	45%	0.449	37%	0.369	S	S	.	.	H	α-helix	trans	-65.7	-38.7	179.4	-167.8	64.4	169	173.4	1.6	112.1	L407 I410 A493 F494 I500 M501	L407-R497 HydrophobicContact CD2-CB 3.78Å; L407-R497 HydrophobicContact CD2-CG 3.62Å; I410-R497 HydrophobicContact CD1-CB 3.92Å; I410-R497 HydrophobicContact CD1-CG 4.29Å; A493-R497 VanDerWaalsContact O-CB 3.29Å; A493-R497 WeakPolarHBondContact O-CB 3.43Å; A493-R497 PolarHBondContact O-N 2.87Å; F494-R497 PolarHBondContact O-N 2.93Å; R497-I500 PolarHBondContact O-N 3.3Å; R497-M501 HydrophobicContact CG-SD 4.38Å; R497-M501 WeakPolarHBondContact O-CG 3.48Å; R497-M501 PolarHBondContact O-N 3.32Å
498	V	94.5	Very high	91	Very high	15 Å²	15	72.1 Å²	72.1	9%	0.091	38%	0.381	C	S	.	.	H	α-helix	trans	-63.9	-42.4	175	169.6	0	0	0	0	111	L407 I455 F494 D495 E496 I500 M501 Q502	L407-V498 HydrophobicContact CD1-CG2 3.91Å; L407-V498 HydrophobicContact CD2-CG2 3.81Å; I455-V498 HydrophobicContact CD1-CG1 4.45Å; I455-V498 HydrophobicContact CD1-CG2 4.44Å; I455-V498 HydrophobicContact CG2-CB 4.45Å; I455-V498 HydrophobicContact CG2-CG1 4.01Å; I455-V498 HydrophobicContact CG2-CG2 3.5Å; I455-V498 VanDerWaalsContact CG2-CG2 3.5Å; F494-V498 HydrophobicContact CD1-CG2 3.95Å; F494-V498 HydrophobicContact CE1-CG2 3.63Å; F494-V498 HydrophobicContact CZ-CG2 4.07Å; F494-V498 VanDerWaalsContact O-CG2 3.26Å; F494-V498 WeakPolarHBondContact O-CG2 3.44Å; F494-V498 PolarHBondContact O-N 3.37Å; D495-V498 PolarHBondContact O-N 3.06Å; E496-V498 PolarHBondContact O-N 2.76Å; V498-I500 PolarHBondContact O-N 2.97Å; V498-M501 PolarHBondContact O-N 2.89Å; V498-Q502 HydrophobicContact CG1-CG 4.49Å; V498-Q502 WeakPolarHBondContact O-CG 3.33Å; V498-Q502 PolarHBondContact O-N 3.33Å
499	A	93.2	Very high	91.1	Very high	55 Å²	55	72.2 Å²	72.2	46%	0.455	38%	0.379	S	S	.	.	H	α-helix	trans	-61.4	-44	177.1	0	0	0	0	0	111.7	D495 E496 M501 Q502 S503	D495-A499 WeakPolarHBondContact O-CB 3.43Å; D495-A499 PolarHBondContact O-N 3.4Å; E496-A499 PolarHBondContact O-N 3.09Å; A499-M501 PolarHBondContact O-N 3.19Å; A499-Q502 PolarHBondContact O-N 2.76Å; A499-S503 PolarHBondContact O-N 2.88Å; A499-S503 VanDerWaalsContact O-N 3.13Å
500	I	93	Very high	91.1	Very high	63 Å²	63	71.9 Å²	71.9	32%	0.323	38%	0.377	S	S	.	.	H	α-helix	trans	-59.2	-47	175	-66.1	165.5	0	0	0	110.6	E496 R497 V498 Q502 S503 E504	E496-I500 HydrophobicContact CG-CD1 4.28Å; E496-I500 WeakPolarHBondContact O-CG1 3.29Å; E496-I500 PolarHBondContact O-N 2.83Å; R497-I500 PolarHBondContact O-N 3.3Å; V498-I500 PolarHBondContact O-N 2.97Å; I500-Q502 PolarHBondContact O-N 2.85Å; I500-S503 PolarHBondContact O-N 2.76Å; I500-S503 PolarHBondContact O-OG 3.46Å; I500-E504 PolarHBondContact O-N 2.76Å
501	M	90.5	Very high	91	Very high	42 Å²	42	76.9 Å²	76.9	21%	0.207	40%	0.403	C	S	.	.	H	α-helix	trans	-65.2	-20.9	179.6	-70.3	176.5	67.9	0	0	114.4	N403 L407 R497 V498 A499	N403-M501 HydrophobicContact CB-CE 3.62Å; N403-M501 VanDerWaalsContact CG-CE 3.44Å; N403-M501 WeakPolarHBondContact ND2-CE 3.38Å; L407-M501 HydrophobicContact CD1-SD 4.22Å; L407-M501 HydrophobicContact CD2-SD 3.99Å; L407-M501 HydrophobicContact CG-SD 4.08Å; R497-M501 HydrophobicContact CG-SD 4.38Å; R497-M501 WeakPolarHBondContact O-CG 3.48Å; R497-M501 PolarHBondContact O-N 3.32Å; V498-M501 PolarHBondContact O-N 2.89Å; A499-M501 PolarHBondContact O-N 3.19Å
502	Q	86.1	Confident	90.7	Very high	144 Å²	144	81.5 Å²	81.5	67%	0.673	43%	0.427	S	S	*	.	H	α-helix	trans	-88.7	-18.9	175.1	-72.2	175	-12.4	0	0	112.5	V498 A499 I500	V498-Q502 HydrophobicContact CG1-CG 4.49Å; V498-Q502 WeakPolarHBondContact O-CG 3.33Å; V498-Q502 PolarHBondContact O-N 3.33Å; A499-Q502 PolarHBondContact O-N 2.76Å; I500-Q502 PolarHBondContact O-N 2.85Å
503	S	82.6	Confident	90.6	Very high	98 Å²	98	80.5 Å²	80.5	69%	0.685	42%	0.421	S	S	*	.	H	α-helix	trans	-86.9	-19.2	176.9	70.4	0	0	0	0	114	A499 I500	A499-S503 PolarHBondContact O-N 2.88Å; A499-S503 VanDerWaalsContact O-N 3.13Å; I500-S503 PolarHBondContact O-N 2.76Å; I500-S503 PolarHBondContact O-OG 3.46Å
504	E	75.1	Confident	90.3	Very high	205 Å²	205	84.6 Å²	84.6	96%	0.958	43%	0.433	S	S	*	.			trans	-84.6	0	171.4	-67.1	179.6	175.6	0	0	111.9	I500	I500-E504 PolarHBondContact O-N 2.76Å

Retrieved 504 of 504 residues in 130.4 ms (Link to these results)

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