A0A077YXN9_TRITR Loading...

DNA pol A exo1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YXN9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 602 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	32.5	Very low	28.9	Very low	237 Å²	237	151.7 Å²	151.7	100%	1.167	86%	0.863	S	S	*	*				0	132.6	0	-71	178.4	88.2	0	0	106.8
2	S	32.8	Very low	28.7	Very low	122 Å²	122	150.2 Å²	150.2	85%	0.853	86%	0.858	S	S	*	*			trans	58.6	91.6	-176.2	44.6	0	0	0	0	116.8
3	S	29.8	Very low	28.4	Very low	117 Å²	117	147.9 Å²	147.9	82%	0.818	86%	0.855	S	S	*	*			trans	-122.1	115.2	153.2	54	0	0	0	0	107.6
4	D	28.5	Very low	28.2	Very low	158 Å²	158	149.5 Å²	149.5	85%	0.845	85%	0.851	S	S	*	*			trans	-61.8	124.3	179.7	-69.2	-54.9	0	0	0	112.4
5	E	29.9	Very low	28	Very low	196 Å²	196	152.3 Å²	152.3	92%	0.916	85%	0.854	S	S	*	*			trans	-84.1	107.6	163.1	-79	-177	156.7	0	0	109.2
6	Q	26.5	Very low	27.9	Very low	177 Å²	177	153.9 Å²	153.9	83%	0.827	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-73.3	140.8	164.7	-72.9	-170.6	-22.5	0	0	110.5	T8	Q6-T8 PolarHBondContact O-N 3.31Å
7	P	28.2	Very low	27.8	Very low	121 Å²	121	152.6 Å²	152.6	79%	0.786	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-78	124.6	178.3	30.8	-30.8	0	0	0	110.6	V9	P7-V9 PolarHBondContact O-N 3.15Å
8	T	27.7	Very low	27.7	Very low	141 Å²	141	151.5 Å²	151.5	87%	0.865	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-57.6	117.1	174.2	43.8	0	0	0	0	111.6	Q6 S10	Q6-T8 PolarHBondContact O-N 3.31Å; T8-S10 PolarHBondContact O-N 3.33Å
9	V	26.3	Very low	27.6	Very low	135 Å²	135	151.4 Å²	151.4	82%	0.818	84%	0.835	S	S	*	*			trans	-65.5	113.9	169.3	176	0	0	0	0	108.6	P7 N11	P7-V9 PolarHBondContact O-N 3.15Å; V9-N11 PolarHBondContact O-N 3.29Å
10	S	28.8	Very low	27.4	Very low	109 Å²	109	151.7 Å²	151.7	76%	0.762	84%	0.836	S	S	*	*			trans	-66.9	118.5	171.6	54.4	0	0	0	0	109.7	T8 V12	T8-S10 PolarHBondContact O-N 3.33Å; S10-V12 PolarHBondContact O-N 3.42Å
11	N	27.3	Very low	27.4	Very low	156 Å²	156	151.1 Å²	151.1	83%	0.834	84%	0.836	S	S	*	*			trans	-51.9	131.4	173.8	-86.4	-25.8	0	0	0	111.7	V9 C13	V9-N11 PolarHBondContact O-N 3.29Å; N11-C13 PolarHBondContact O-N 3.13Å
12	V	26.2	Very low	27.1	Very low	133 Å²	133	145.2 Å²	145.2	81%	0.806	82%	0.818	S	S	*	*			trans	-57.9	114.5	167.7	174.1	0	0	0	0	107.9	S10 E14	S10-V12 PolarHBondContact O-N 3.42Å; V12-E14 PolarHBondContact O-N 3.17Å
13	C	24.3	Very low	26.7	Very low	121 Å²	121	149 Å²	149	82%	0.818	82%	0.822	S	S	*	*			trans	-66.1	113.4	163.7	-84.1	0	0	0	0	108	N11 E15	N11-C13 PolarHBondContact O-N 3.13Å; C13-E15 PolarHBondContact O-N 2.96Å
14	E	26.4	Very low	26.5	Very low	170 Å²	170	147 Å²	147	79%	0.794	82%	0.82	S	S	*	*			trans	-53.9	119.5	165.3	-70.5	173.9	154.3	0	0	109.7	V12 K16	V12-E14 PolarHBondContact O-N 3.17Å; E14-K16 PolarHBondContact O-N 2.95Å
15	E	25.1	Very low	26.3	Very low	192 Å²	192	147.8 Å²	147.8	90%	0.897	82%	0.822	S	S	*	*			trans	-62.9	97	161.3	-78.4	176.9	150.2	0	0	107.9	C13 T17	C13-E15 PolarHBondContact O-N 2.96Å; E15-T17 PolarHBondContact O-N 2.56Å
16	K	26.3	Very low	26.1	Very low	177 Å²	177	143.2 Å²	143.2	77%	0.77	81%	0.812	S	S	*	*			trans	-72.1	108.8	157.2	-75.5	-172.4	177.1	-176.7	0	107.4	E14 I18	E14-K16 PolarHBondContact O-N 2.95Å; K16-I18 PolarHBondContact O-N 2.86Å
17	T	26	Very low	26	Very low	133 Å²	133	141.8 Å²	141.8	82%	0.816	81%	0.81	S	S	*	*			trans	-48	124.5	162.7	42.3	0	0	0	0	109.7	E15	E15-T17 PolarHBondContact O-N 2.56Å
18	I	26.8	Very low	25.9	Very low	132 Å²	132	144 Å²	144	68%	0.677	81%	0.814	S	S	*	*			trans	-108.2	83.9	175.6	-61.3	170.1	0	0	0	106.3	K16	K16-I18 PolarHBondContact O-N 2.86Å
19	D	24.8	Very low	25.8	Very low	150 Å²	150	146.4 Å²	146.4	80%	0.802	81%	0.813	S	S	*	*			trans	-130.2	93.2	153.2	-79.4	-38.3	0	0	0	102.7
20	D	24.9	Very low	26	Very low	157 Å²	157	143.9 Å²	143.9	84%	0.84	80%	0.799	S	S	*	*			trans	157.4	63.6	166	-82.5	-19.9	0	0	0	110.9
21	V	27.2	Very low	25.9	Very low	140 Å²	140	144.9 Å²	144.9	85%	0.848	80%	0.801	S	S	*	*			trans	-143.8	57.4	157.7	-165.3	0	0	0	0	108.7
22	S	25.2	Very low	25.9	Very low	112 Å²	112	144 Å²	144	78%	0.783	80%	0.801	S	S	*	*	S	Bend	trans	-139.5	43	171.1	69.1	0	0	0	0	111.4
23	E	24.9	Very low	26.2	Very low	203 Å²	203	142.6 Å²	142.6	95%	0.949	80%	0.797	S	S	*	*			trans	-159.9	93.9	170	-114	174.4	-162.5	0	0	108.9
24	G	24.6	Very low	26.5	Very low	74 Å²	74	141.1 Å²	141.1	76%	0.763	79%	0.788	S	S	*	*			trans	-171.2	30.4	-175.9	0	0	0	0	0	113.6
25	I	25.4	Very low	26.8	Very low	175 Å²	175	137.9 Å²	137.9	90%	0.897	78%	0.782	S	S	*	*	S	Bend	trans	-137.8	60.5	171.2	-47.8	179	0	0	0	108.4
26	S	24.8	Very low	27.2	Very low	99 Å²	99	134.1 Å²	134.1	69%	0.692	78%	0.775	S	S	*	*	S	Bend	trans	-156.7	139.5	158.5	63.3	0	0	0	0	107.8
27	N	24.3	Very low	27.7	Very low	148 Å²	148	132.5 Å²	132.5	79%	0.791	78%	0.775	S	S	*	*			trans	86.2	68.9	176.2	-49.5	-37.9	0	0	0	117.6
28	L	27.7	Very low	28.5	Very low	168 Å²	168	132.1 Å²	132.1	88%	0.88	76%	0.764	S	S	*	*			trans	-114.8	91.3	142.8	-81.9	163.1	0	0	0	108.5
29	K	23.9	Very low	29.3	Very low	190 Å²	190	133.2 Å²	133.2	83%	0.826	77%	0.766	S	S	*	*			trans	-63.6	132.8	161.1	-83.2	-179.6	176.6	176.4	0	107.7	T31	K29-T31 PolarHBondContact O-N 3.45Å
30	P	30.3	Very low	30.5	Very low	83 Å²	83	130.1 Å²	130.1	54%	0.539	75%	0.754	S	S	.	*			trans	-80.3	111.6	177.8	14.3	-2.9	0	0	0	110	R72	P30-R72 VanDerWaalsContact CB-NH2 3.27Å
31	T	27.8	Very low	31.7	Very low	130 Å²	130	124 Å²	124	80%	0.798	72%	0.722	S	S	*	*			trans	-57.9	131.4	163.3	37.9	0	0	0	0	110.3	K29 S33	K29-T31 PolarHBondContact O-N 3.45Å; T31-S33 PolarHBondContact O-N 2.73Å
32	V	27.7	Very low	32.9	Very low	137 Å²	137	120.1 Å²	120.1	83%	0.83	70%	0.697	S	S	*	*			trans	-73.4	115.5	177.8	177.7	0	0	0	0	108.7
33	S	31.4	Very low	34.2	Very low	103 Å²	103	119.4 Å²	119.4	72%	0.72	68%	0.684	S	S	*	*			trans	-103	144.6	172.5	55.6	0	0	0	0	111.1	T31	T31-S33 PolarHBondContact O-N 2.73Å
34	S	31.1	Very low	35.4	Very low	91 Å²	91	111.3 Å²	111.3	64%	0.636	65%	0.649	S	S	*	*			trans	-52.9	154.3	-171.9	-179.1	0	0	0	0	116.4	C36	S34-C36 VanDerWaalsContact C-N 3.29Å; S34-C36 PolarHBondContact O-N 3.27Å
35	P	33.6	Very low	36.6	Very low	102 Å²	102	109 Å²	109	66%	0.662	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	10.4	-171.8	-4.3	22.8	0	0	0	116.1
36	C	33.3	Very low	38.2	Very low	112 Å²	112	107 Å²	107	76%	0.757	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-2.6	-170.1	-73.1	0	0	0	0	116.2	S34	S34-C36 VanDerWaalsContact C-N 3.29Å; S34-C36 PolarHBondContact O-N 3.27Å
37	D	37.1	Very low	39.4	Very low	144 Å²	144	107.1 Å²	107.1	77%	0.77	59%	0.593	S	S	*	*	S	Bend	trans	-103.6	12.9	-179.1	-75.4	-35.2	0	0	0	114.1	P40	D37-P40 WeakPolarHBondContact O-CD 3.47Å
38	E	40.8	Very low	40.5	Very low	124 Å²	124	100.5 Å²	100.5	58%	0.579	56%	0.557	S	S	*	*			trans	-80.7	-23.8	-171.2	-65.9	-167.3	160.4	0	0	115.5
39	Q	43.6	Very low	41.6	Very low	156 Å²	156	96.4 Å²	96.4	73%	0.729	54%	0.536	S	S	*	.	H	α-helix	trans	-64.8	-38.8	-172.6	-73.8	-164.8	-34.4	0	0	116.2	V41 D43	Q39-V41 VanDerWaalsContact C-N 3.31Å; Q39-V41 PolarHBondContact O-N 3.01Å; Q39-D43 PolarHBondContact O-N 3.34Å
40	P	51.7	Low	43	Very low	85 Å²	85	94.2 Å²	94.2	55%	0.552	53%	0.526	S	S	*	.	H	α-helix	trans	-67.7	-29.3	-173	-17.9	29.8	0	0	0	114	D37 V44	D37-P40 WeakPolarHBondContact O-CD 3.47Å; P40-V44 VanDerWaalsContact O-CG2 3.29Å; P40-V44 WeakPolarHBondContact O-CG2 3.49Å; P40-V44 PolarHBondContact O-N 3.09Å
41	V	48.4	Very low	43.7	Very low	27 Å²	27	92.5 Å²	92.5	16%	0.164	51%	0.513	C	S	.	.	H	α-helix	trans	-80.3	-39	-174.7	177.8	0	0	0	0	111.1	Q39 V44 I45	Q39-V41 VanDerWaalsContact C-N 3.31Å; Q39-V41 PolarHBondContact O-N 3.01Å; V41-V44 PolarHBondContact O-N 3.5Å; V41-I45 HydrophobicContact CG1-CD1 3.77Å; V41-I45 HydrophobicContact CG1-CG1 4.4Å; V41-I45 WeakPolarHBondContact O-CB 3.48Å; V41-I45 WeakPolarHBondContact O-CG1 3.49Å; V41-I45 PolarHBondContact O-N 3.28Å
42	D	53.1	Low	44.6	Very low	60 Å²	60	95.7 Å²	95.7	32%	0.321	52%	0.516	S	S	.	.	H	α-helix	trans	-72.6	-30.3	-178.3	-74.9	-26.7	0	0	0	112.6	K46 K76	D42-K46 WeakPolarHBondContact O-CB 3.3Å; D42-K46 PolarHBondContact O-N 3.49Å; D42-K76 WeakPolarHBondContact OD1-CE 3.08Å; D42-K76 IonicContact OD1-NZ 2.67Å; D42-K76 PolarHBondContact OD1-NZ 3.36Å; D42-K76 IonicContact OD2-NZ 2.59Å; D42-K76 PolarHBondContact OD2-NZ 2.81Å
43	D	53.1	Low	45.6	Very low	96 Å²	96	94.7 Å²	94.7	51%	0.513	51%	0.51	S	S	.	.	H	α-helix	trans	-69.9	-43.2	173.8	-71	-25.5	0	0	0	111.8	Q39 I45 K46 E47	Q39-D43 PolarHBondContact O-N 3.34Å; D43-I45 PolarHBondContact O-N 3.01Å; D43-K46 PolarHBondContact O-N 2.91Å; D43-E47 PolarHBondContact O-N 3.45Å
44	V	49.6	Very low	46.8	Very low	33 Å²	33	91.2 Å²	91.2	20%	0.2	48%	0.483	C	S	.	.	H	α-helix	trans	-63.6	-42	174.5	170.9	0	0	0	0	111.3	P40 V41 E47 I48	P40-V44 VanDerWaalsContact O-CG2 3.29Å; P40-V44 WeakPolarHBondContact O-CG2 3.49Å; P40-V44 PolarHBondContact O-N 3.09Å; V41-V44 PolarHBondContact O-N 3.5Å; V44-E47 PolarHBondContact O-N 3.06Å; V44-I48 HydrophobicContact CG1-CD1 3.58Å; V44-I48 HydrophobicContact CG1-CG1 4.41Å; V44-I48 WeakPolarHBondContact O-CD1 3.42Å; V44-I48 VanDerWaalsContact O-CG1 3.25Å; V44-I48 WeakPolarHBondContact O-CG1 3.43Å; V44-I48 PolarHBondContact O-N 3.38Å
45	I	50.8	Low	48.2	Very low	25 Å²	25	89.4 Å²	89.4	13%	0.128	47%	0.47	C	S	.	.	H	α-helix	trans	-64.2	-42.4	176.1	-69.9	172.1	0	0	0	110.8	V41 D43 E47 I48 L49 K76 L80	V41-I45 HydrophobicContact CG1-CD1 3.77Å; V41-I45 HydrophobicContact CG1-CG1 4.4Å; V41-I45 WeakPolarHBondContact O-CB 3.48Å; V41-I45 WeakPolarHBondContact O-CG1 3.49Å; V41-I45 PolarHBondContact O-N 3.28Å; D43-I45 PolarHBondContact O-N 3.01Å; I45-E47 VanDerWaalsContact C-N 3.34Å; I45-E47 PolarHBondContact O-N 3.42Å; I45-I48 PolarHBondContact O-N 2.85Å; I45-L49 HydrophobicContact CG2-CD1 3.8Å; I45-L49 HydrophobicContact CG2-CG 4.21Å; I45-L49 WeakPolarHBondContact O-CB 3.45Å; I45-L49 WeakPolarHBondContact O-CG 3.45Å; I45-L49 PolarHBondContact O-N 3.4Å; I45-K76 HydrophobicContact CD1-CB 3.77Å; I45-K76 HydrophobicContact CD1-CD 4.17Å; I45-L80 HydrophobicContact CG1-CD1 4.39Å
46	K	58.2	Low	49.1	Very low	135 Å²	135	92.4 Å²	92.4	59%	0.587	48%	0.475	S	S	*	.	H	α-helix	trans	-62.3	-39.2	177.1	-94.6	-179.1	177.6	172.1	0	113	D42 D43 K50	D42-K46 WeakPolarHBondContact O-CB 3.3Å; D42-K46 PolarHBondContact O-N 3.49Å; D43-K46 PolarHBondContact O-N 2.91Å; K46-K50 WeakPolarHBondContact O-CG 3.29Å
47	E	50.1	Low	50.3	Low	100 Å²	100	90.3 Å²	90.3	47%	0.467	46%	0.462	S	S	.	.	H	α-helix	trans	-70.2	-43.5	176.5	-74.9	-53.2	127.2	0	0	111.4	D43 V44 I45 L49 K50	D43-E47 PolarHBondContact O-N 3.45Å; V44-E47 PolarHBondContact O-N 3.06Å; I45-E47 VanDerWaalsContact C-N 3.34Å; I45-E47 PolarHBondContact O-N 3.42Å; E47-L49 VanDerWaalsContact C-N 3.28Å; E47-L49 PolarHBondContact O-N 2.97Å; E47-K50 PolarHBondContact O-N 3.47Å; E47-K50 IonicContact OE1-NZ 2.73Å; E47-K50 PolarHBondContact OE1-NZ 2.98Å
48	I	47.9	Very low	51.3	Low	9 Å²	9	84.3 Å²	84.3	5%	0.046	43%	0.43	C	S	.	.	H	α-helix	trans	-62.6	-36.5	177.8	-63.7	160.7	0	0	0	112.1	V44 I45 K50 L51 M62 L80	V44-I48 HydrophobicContact CG1-CD1 3.58Å; V44-I48 HydrophobicContact CG1-CG1 4.41Å; V44-I48 WeakPolarHBondContact O-CD1 3.42Å; V44-I48 VanDerWaalsContact O-CG1 3.25Å; V44-I48 WeakPolarHBondContact O-CG1 3.43Å; V44-I48 PolarHBondContact O-N 3.38Å; I45-I48 PolarHBondContact O-N 2.85Å; I48-K50 PolarHBondContact O-N 3.29Å; I48-L51 HydrophobicContact CB-CD1 4.42Å; I48-L51 HydrophobicContact CG1-CD1 4.46Å; I48-L51 HydrophobicContact CG2-CD1 4.48Å; I48-L51 PolarHBondContact O-N 3.4Å; I48-M62 HydrophobicContact CD1-CG 3.32Å; I48-M62 HydrophobicContact CD1-SD 4.15Å; I48-M62 HydrophobicContact CG1-CG 4.42Å; I48-L80 HydrophobicContact CB-CD1 3.63Å; I48-L80 HydrophobicContact CD1-CD1 3.82Å; I48-L80 HydrophobicContact CG1-CD1 4.35Å; I48-L80 HydrophobicContact CG2-CD1 3.4Å; I48-L80 VanDerWaalsContact CG2-CD1 3.4Å; I48-L80 HydrophobicContact CG2-CG 4.23Å
49	L	50.9	Low	52.1	Low	83 Å²	83	78.5 Å²	78.5	44%	0.435	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-15.7	176.7	-72.7	173.4	0	0	0	114.1	I45 E47 A83	I45-L49 HydrophobicContact CG2-CD1 3.8Å; I45-L49 HydrophobicContact CG2-CG 4.21Å; I45-L49 WeakPolarHBondContact O-CB 3.45Å; I45-L49 WeakPolarHBondContact O-CG 3.45Å; I45-L49 PolarHBondContact O-N 3.4Å; E47-L49 VanDerWaalsContact C-N 3.28Å; E47-L49 PolarHBondContact O-N 2.97Å; L49-A83 HydrophobicContact CD2-CB 3.41Å; L49-A83 VanDerWaalsContact CD2-CB 3.41Å
50	K	53.4	Low	52.9	Low	143 Å²	143	77.4 Å²	77.4	62%	0.622	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-11	178	-69.2	172.8	-171.8	167.4	0	113.5	K46 E47 I48 K52	K46-K50 WeakPolarHBondContact O-CG 3.29Å; E47-K50 PolarHBondContact O-N 3.47Å; E47-K50 IonicContact OE1-NZ 2.73Å; E47-K50 PolarHBondContact OE1-NZ 2.98Å; I48-K50 PolarHBondContact O-N 3.29Å; K50-K52 PolarHBondContact O-N 3.03Å
51	L	44.1	Very low	53.4	Low	48 Å²	48	75.4 Å²	75.4	25%	0.251	39%	0.386	S	S	.	.			trans	-82.4	118.4	-172.1	-61.5	164.9	0	0	0	111	I48 T53 D58	I48-L51 HydrophobicContact CB-CD1 4.42Å; I48-L51 HydrophobicContact CG1-CD1 4.46Å; I48-L51 HydrophobicContact CG2-CD1 4.48Å; I48-L51 PolarHBondContact O-N 3.4Å; L51-T53 VanDerWaalsContact C-N 3.27Å; L51-D58 HydrophobicContact CD1-CB 3.55Å; L51-D58 WeakPolarHBondContact CD1-OD1 3.38Å; L51-D58 WeakPolarHBondContact CD1-OD2 3.15Å; L51-D58 WeakPolarHBondContact CD2-OD2 3.4Å
52	K	47.9	Very low	54.1	Low	197 Å²	197	74.5 Å²	74.5	86%	0.857	38%	0.38	S	S	*	.	S	Bend	trans	-75.5	-19.6	166.2	-71.7	-174.9	177.6	-179.3	0	112.4	K50	K50-K52 PolarHBondContact O-N 3.03Å
53	T	48.2	Very low	54.5	Low	115 Å²	115	73 Å²	73	71%	0.706	37%	0.371	S	S	*	.	S	Bend	trans	-146.7	131.5	178.2	47.7	0	0	0	0	108.4	L51	L51-T53 VanDerWaalsContact C-N 3.27Å
54	I	55.9	Low	55	Low	31 Å²	31	71.2 Å²	71.2	16%	0.159	36%	0.363	C	S	.	.			trans	-80.4	124.2	-176.7	-53.6	-173.6	0	0	0	109.7	D58 L59 L84 P85 N90	I54-D58 HydrophobicContact CG2-CB 3.94Å; I54-L59 HydrophobicContact CG2-CD1 4.36Å; I54-L59 HydrophobicContact CG2-CD2 3.99Å; I54-L59 HydrophobicContact CG2-CG 3.75Å; I54-L84 HydrophobicContact CD1-CD2 3.36Å; I54-P85 HydrophobicContact CG1-CG 4.49Å; I54-N90 HydrophobicContact CD1-CB 4.1Å; I54-N90 VanDerWaalsContact CD1-CG 3.47Å; I54-N90 WeakPolarHBondContact CD1-ND2 3.44Å
55	S	60.6	Low	55.5	Low	52 Å²	52	70.4 Å²	70.4	36%	0.364	36%	0.358	S	S	.	.			trans	-91.1	165.9	172.7	75.3	0	0	0	0	111.8	S57 D58 L59	S55-S57 VanDerWaalsContact C-N 3.27Å; S55-S57 PolarHBondContact O-N 3.49Å; S55-S57 PolarHBondContact OG-OG 3.45Å; S55-D58 WeakPolarHBondContact CA-OD2 3.25Å; S55-D58 VanDerWaalsContact CB-OD2 3.3Å; S55-D58 WeakPolarHBondContact CB-OD2 3.25Å; S55-D58 PolarHBondContact N-OD2 2.94Å; S55-D58 WeakPolarHBondContact O-CB 3.36Å; S55-D58 PolarHBondContact O-N 3.25Å; S55-D58 VanDerWaalsContact O-N 3.13Å; S55-D58 PolarHBondContact OG-OD2 3.47Å; S55-L59 PolarHBondContact O-N 3.21Å
56	E	53	Low	56.1	Low	165 Å²	165	69.7 Å²	69.7	77%	0.771	36%	0.355	S	S	*	.	H	α-helix	trans	-57.3	-36.8	177.3	-78.5	-179.2	160.8	0	0	112.8	D58 L59 E60	E56-D58 VanDerWaalsContact C-N 3.26Å; E56-D58 PolarHBondContact O-N 3.48Å; E56-L59 PolarHBondContact O-N 3.5Å; E56-E60 PolarHBondContact O-N 2.99Å; E56-E60 VanDerWaalsContact O-N 3.15Å
57	S	58.1	Low	56.3	Low	68 Å²	68	68.9 Å²	68.9	48%	0.476	35%	0.352	S	S	.	.	H	α-helix	trans	-66.9	-27	178.3	54.7	0	0	0	0	113.6	S55 S61	S55-S57 VanDerWaalsContact C-N 3.27Å; S55-S57 PolarHBondContact O-N 3.49Å; S55-S57 PolarHBondContact OG-OG 3.45Å; S57-S61 PolarHBondContact O-N 3Å; S57-S61 VanDerWaalsContact O-N 3.17Å; S57-S61 PolarHBondContact O-OG 3.29Å
58	D	58.3	Low	56.7	Low	19 Å²	19	71.8 Å²	71.8	10%	0.102	36%	0.363	C	S	.	.	H	α-helix	trans	-75.7	-34.4	179.4	-54.4	-46.7	0	0	0	111	L51 I54 S55 E56 S61 M62	L51-D58 HydrophobicContact CD1-CB 3.55Å; L51-D58 WeakPolarHBondContact CD1-OD1 3.38Å; L51-D58 WeakPolarHBondContact CD1-OD2 3.15Å; L51-D58 WeakPolarHBondContact CD2-OD2 3.4Å; I54-D58 HydrophobicContact CG2-CB 3.94Å; S55-D58 WeakPolarHBondContact CA-OD2 3.25Å; S55-D58 VanDerWaalsContact CB-OD2 3.3Å; S55-D58 WeakPolarHBondContact CB-OD2 3.25Å; S55-D58 PolarHBondContact N-OD2 2.94Å; S55-D58 WeakPolarHBondContact O-CB 3.36Å; S55-D58 PolarHBondContact O-N 3.25Å; S55-D58 VanDerWaalsContact O-N 3.13Å; S55-D58 PolarHBondContact OG-OD2 3.47Å; E56-D58 VanDerWaalsContact C-N 3.26Å; E56-D58 PolarHBondContact O-N 3.48Å; D58-S61 PolarHBondContact O-N 2.66Å; D58-M62 PolarHBondContact O-N 3.28Å
59	L	57.3	Low	57	Low	1 Å²	1	72.6 Å²	72.6	1%	0.005	37%	0.37	C	S	.	.	H	α-helix	trans	-69.9	-40.7	174	-69.7	168	0	0	0	111.8	I54 S55 E56 S61 M62 F63 Q93 L94	I54-L59 HydrophobicContact CG2-CD1 4.36Å; I54-L59 HydrophobicContact CG2-CD2 3.99Å; I54-L59 HydrophobicContact CG2-CG 3.75Å; S55-L59 PolarHBondContact O-N 3.21Å; E56-L59 PolarHBondContact O-N 3.5Å; L59-S61 VanDerWaalsContact C-N 3.28Å; L59-S61 PolarHBondContact O-N 3.47Å; L59-M62 WeakPolarHBondContact O-CB 3.23Å; L59-M62 PolarHBondContact O-N 2.98Å; L59-F63 WeakPolarHBondContact O-CB 3.11Å; L59-F63 PolarHBondContact O-N 3.17Å; L59-Q93 HydrophobicContact CD1-CG 3.68Å; L59-L94 HydrophobicContact CD2-CB 4.45Å
60	E	59.6	Low	56.8	Low	133 Å²	133	73.3 Å²	73.3	62%	0.621	38%	0.379	S	S	*	.	H	α-helix	trans	-61.3	-38.4	173.7	-75.1	-169.8	157.2	0	0	112.2	E56 F63 T64	E56-E60 PolarHBondContact O-N 2.99Å; E56-E60 VanDerWaalsContact O-N 3.15Å; E60-F63 PolarHBondContact O-N 2.86Å; E60-T64 WeakPolarHBondContact O-CB 3.26Å; E60-T64 PolarHBondContact O-N 3.31Å; E60-T64 PolarHBondContact O-OG1 3.38Å
61	S	63.2	Low	56.6	Low	44 Å²	44	70.2 Å²	70.2	31%	0.308	37%	0.372	S	S	.	.	H	α-helix	trans	-67	-43.4	176	-61.9	0	0	0	0	111.5	S57 D58 L59 F63 T64 C65	S57-S61 PolarHBondContact O-N 3Å; S57-S61 VanDerWaalsContact O-N 3.17Å; S57-S61 PolarHBondContact O-OG 3.29Å; D58-S61 PolarHBondContact O-N 2.66Å; L59-S61 VanDerWaalsContact C-N 3.28Å; L59-S61 PolarHBondContact O-N 3.47Å; S61-F63 PolarHBondContact O-N 3.04Å; S61-T64 PolarHBondContact O-N 3.4Å; S61-C65 PolarHBondContact O-N 3.47Å
62	M	62	Low	56.8	Low	7 Å²	7	75.5 Å²	75.5	3%	0.034	39%	0.389	C	S	.	.	H	α-helix	trans	-58.7	-45.9	171.2	-79.6	-169.9	56.9	0	0	112.2	I48 D58 L59 T64 C65 V66 L80 L84 L94 F113	I48-M62 HydrophobicContact CD1-CG 3.32Å; I48-M62 HydrophobicContact CD1-SD 4.15Å; I48-M62 HydrophobicContact CG1-CG 4.42Å; D58-M62 PolarHBondContact O-N 3.28Å; L59-M62 WeakPolarHBondContact O-CB 3.23Å; L59-M62 PolarHBondContact O-N 2.98Å; M62-T64 VanDerWaalsContact C-N 3.33Å; M62-T64 PolarHBondContact O-N 3.03Å; M62-C65 WeakPolarHBondContact O-CB 3.09Å; M62-C65 PolarHBondContact O-N 3.36Å; M62-C65 VanDerWaalsContact O-N 3.15Å; M62-V66 WeakPolarHBondContact O-CG2 3.43Å; M62-V66 PolarHBondContact O-N 2.77Å; M62-L80 HydrophobicContact CE-CD2 3.83Å; M62-L80 HydrophobicContact CG-CD2 4.35Å; M62-L80 HydrophobicContact SD-CD2 4.1Å; M62-L84 HydrophobicContact SD-CD2 4.44Å; M62-L94 HydrophobicContact CB-CD1 3.84Å; M62-L94 HydrophobicContact CE-CD2 4.21Å; M62-F113 HydrophobicContact CE-CZ 4.34Å
63	F	61.6	Low	57.1	Low	30 Å²	30	67.4 Å²	67.4	13%	0.132	36%	0.356	C	S	.	.	H	α-helix	trans	-60.3	-44.1	178.1	173.9	-105.9	0	0	0	111.4	L59 E60 S61 C65 V66 K67 L94 C98 T106	L59-F63 WeakPolarHBondContact O-CB 3.11Å; L59-F63 PolarHBondContact O-N 3.17Å; E60-F63 PolarHBondContact O-N 2.86Å; S61-F63 PolarHBondContact O-N 3.04Å; F63-C65 VanDerWaalsContact C-N 3.25Å; F63-C65 PolarHBondContact O-N 3.09Å; F63-V66 PolarHBondContact O-N 3.33Å; F63-V66 VanDerWaalsContact O-N 3.14Å; F63-K67 HydrophobicContact CE1-CD 4.25Å; F63-K67 HydrophobicContact CZ-CD 4.36Å; F63-K67 WeakPolarHBondContact O-CB 3.4Å; F63-K67 PolarHBondContact O-N 3.05Å; F63-L94 HydrophobicContact CB-CD1 4.04Å; F63-C98 VanDerWaalsContact CD2-SG 3.54Å; F63-C98 HydrophobicContact CE2-CB 4.24Å; F63-C98 WeakPolarHBondContact CE2-SG 3.45Å; F63-T106 HydrophobicContact CE2-CG2 4.3Å; F63-T106 HydrophobicContact CZ-CG2 4.41Å
64	T	63.9	Low	57.3	Low	58 Å²	58	65.2 Å²	65.2	36%	0.356	34%	0.336	S	S	.	.	H	α-helix	trans	-59.8	-38.3	176.7	-56.9	0	0	0	0	111.4	E60 S61 M62 K68	E60-T64 WeakPolarHBondContact O-CB 3.26Å; E60-T64 PolarHBondContact O-N 3.31Å; E60-T64 PolarHBondContact O-OG1 3.38Å; S61-T64 PolarHBondContact O-N 3.4Å; M62-T64 VanDerWaalsContact C-N 3.33Å; M62-T64 PolarHBondContact O-N 3.03Å; T64-K68 HydrophobicContact CG2-CD 4.03Å; T64-K68 WeakPolarHBondContact O-CB 3.39Å; T64-K68 VanDerWaalsContact O-CG 3.31Å; T64-K68 WeakPolarHBondContact O-CG 3.44Å; T64-K68 PolarHBondContact O-N 2.81Å; T64-K68 VanDerWaalsContact O-N 3.15Å
65	C	61.2	Low	57.2	Low	15 Å²	15	71 Å²	71	10%	0.101	36%	0.362	C	S	.	.	H	α-helix	trans	-66.9	-44	173.2	-77.3	0	0	0	0	112.9	S61 M62 F63 K67 K68 S69	S61-C65 PolarHBondContact O-N 3.47Å; M62-C65 WeakPolarHBondContact O-CB 3.09Å; M62-C65 PolarHBondContact O-N 3.36Å; M62-C65 VanDerWaalsContact O-N 3.15Å; F63-C65 VanDerWaalsContact C-N 3.25Å; F63-C65 PolarHBondContact O-N 3.09Å; C65-K67 VanDerWaalsContact C-N 3.29Å; C65-K67 PolarHBondContact O-N 2.87Å; C65-K68 PolarHBondContact O-N 3.18Å; C65-S69 WeakPolarHBondContact O-CB 3.19Å; C65-S69 PolarHBondContact O-N 3.28Å; C65-S69 PolarHBondContact O-OG 3.46Å
66	V	62.7	Low	57.1	Low	11 Å²	11	72.1 Å²	72.1	7%	0.067	36%	0.36	C	S	.	.	H	α-helix	trans	-61.7	-39.1	176.3	171.5	0	0	0	0	111	M62 F63 K68 F77 L94 F113	M62-V66 WeakPolarHBondContact O-CG2 3.43Å; M62-V66 PolarHBondContact O-N 2.77Å; F63-V66 PolarHBondContact O-N 3.33Å; F63-V66 VanDerWaalsContact O-N 3.14Å; V66-K68 VanDerWaalsContact C-N 3.35Å; V66-K68 PolarHBondContact O-N 2.94Å; V66-F77 HydrophobicContact CG2-CZ 4.49Å; V66-L94 HydrophobicContact CG2-CD2 4.32Å; V66-F113 HydrophobicContact CG1-CB 3.92Å; V66-F113 HydrophobicContact CG1-CG 4.31Å; V66-F113 HydrophobicContact CG2-CB 4.3Å; V66-F113 HydrophobicContact CG2-CD2 3.5Å; V66-F113 VanDerWaalsContact CG2-CD2 3.5Å; V66-F113 HydrophobicContact CG2-CE2 3.91Å; V66-F113 HydrophobicContact CG2-CG 3.91Å
67	K	62.8	Low	57.6	Low	118 Å²	118	65 Å²	65	51%	0.513	33%	0.327	S	S	.	.	H	α-helix	trans	-67.8	-31.8	177.5	-167.4	174.2	-178.7	176	0	113	F63 C65	F63-K67 HydrophobicContact CE1-CD 4.25Å; F63-K67 HydrophobicContact CZ-CD 4.36Å; F63-K67 WeakPolarHBondContact O-CB 3.4Å; F63-K67 PolarHBondContact O-N 3.05Å; C65-K67 VanDerWaalsContact C-N 3.29Å; C65-K67 PolarHBondContact O-N 2.87Å
68	K	59.4	Low	57.9	Low	160 Å²	160	63.5 Å²	63.5	70%	0.696	32%	0.316	S	S	*	.	H	α-helix	trans	-100.2	-15.8	-171.1	-71.9	-178.5	-179.9	179.2	0	115.8	T64 C65 V66 P70	T64-K68 HydrophobicContact CG2-CD 4.03Å; T64-K68 WeakPolarHBondContact O-CB 3.39Å; T64-K68 VanDerWaalsContact O-CG 3.31Å; T64-K68 WeakPolarHBondContact O-CG 3.44Å; T64-K68 PolarHBondContact O-N 2.81Å; T64-K68 VanDerWaalsContact O-N 3.15Å; C65-K68 PolarHBondContact O-N 3.18Å; V66-K68 VanDerWaalsContact C-N 3.35Å; V66-K68 PolarHBondContact O-N 2.94Å; K68-P70 WeakPolarHBondContact O-CD 3.33Å
69	S	53	Low	58.3	Low	27 Å²	27	69.1 Å²	69.1	19%	0.189	34%	0.34	C	S	.	.			trans	-94.6	121.2	-168.3	-87	0	0	0	0	114.7	C65 V71	C65-S69 WeakPolarHBondContact O-CB 3.19Å; C65-S69 PolarHBondContact O-N 3.28Å; C65-S69 PolarHBondContact O-OG 3.46Å; S69-V71 PolarHBondContact O-N 3.11Å
70	P	47.7	Very low	58.8	Low	97 Å²	97	69.3 Å²	69.3	63%	0.63	34%	0.34	S	S	*	.			trans	-88.1	97.7	171.6	32.4	-27.5	0	0	0	111	K68 R72	K68-P70 WeakPolarHBondContact O-CD 3.33Å; P70-R72 PolarHBondContact O-N 3.4Å
71	V	49.1	Very low	59.5	Low	78 Å²	78	63 Å²	63	47%	0.473	31%	0.311	S	S	.	.	S	Bend	trans	58.5	-17.3	152.4	-170.7	0	0	0	0	119.2	S69 Y74	S69-V71 PolarHBondContact O-N 3.11Å; V71-Y74 HydrophobicContact CB-CE2 4.38Å; V71-Y74 HydrophobicContact CG1-CE2 4.17Å; V71-Y74 WeakPolarHBondContact O-CD2 3.48Å; V71-Y74 WeakPolarHBondContact O-CE2 3.41Å
72	R	47.1	Very low	60	Low	160 Å²	160	68 Å²	68	60%	0.604	33%	0.327	S	S	*	.	S	Bend	trans	-102.8	-7.3	-174.3	-77	-179.1	167.3	176.5	-9.3	115.2	P30 P70 Y74	P30-R72 VanDerWaalsContact CB-NH2 3.27Å; P70-R72 PolarHBondContact O-N 3.4Å; R72-Y74 VanDerWaalsContact C-N 3.31Å; R72-Y74 PolarHBondContact O-N 3.43Å
73	S	54.1	Low	60.6	Low	26 Å²	26	69.8 Å²	69.8	18%	0.182	34%	0.343	C	S	.	.			trans	-83	4.4	179.6	-52.7	0	0	0	0	114.6	H75 K76 F77	S73-H75 PolarHBondContact O-N 2.85Å; S73-K76 WeakPolarHBondContact O-CA 3.36Å; S73-K76 WeakPolarHBondContact O-CB 3.43Å; S73-K76 PolarHBondContact O-N 2.9Å; S73-F77 WeakPolarHBondContact O-CD2 3.37Å; S73-F77 PolarHBondContact O-N 3.33Å
74	Y	53	Low	61.1	Low	70 Å²	70	68.8 Å²	68.8	28%	0.275	34%	0.339	S	S	.	.	H	α-helix	trans	-66.6	-28.8	-169.6	-67.1	-54.7	0	0	0	115.6	V71 R72 K76 F77 S78 R112 A116	V71-Y74 HydrophobicContact CB-CE2 4.38Å; V71-Y74 HydrophobicContact CG1-CE2 4.17Å; V71-Y74 WeakPolarHBondContact O-CD2 3.48Å; V71-Y74 WeakPolarHBondContact O-CE2 3.41Å; R72-Y74 VanDerWaalsContact C-N 3.31Å; R72-Y74 PolarHBondContact O-N 3.43Å; Y74-K76 PolarHBondContact O-N 3.14Å; Y74-F77 HydrophobicContact CD1-CD2 4Å; Y74-F77 HydrophobicContact CE1-CD2 4.5Å; Y74-F77 PolarHBondContact O-N 3.15Å; Y74-S78 PolarHBondContact O-N 3.21Å; Y74-R112 VanDerWaalsContact OH-CB 3.31Å; Y74-R112 WeakPolarHBondContact OH-CB 3.35Å; Y74-R112 PolarHBondContact OH-O 3.41Å; Y74-A116 HydrophobicContact CD1-CB 3.05Å; Y74-A116 HydrophobicContact CD2-CB 4.46Å; Y74-A116 HydrophobicContact CE1-CB 3.21Å; Y74-A116 HydrophobicContact CG-CB 3.77Å
75	H	53.7	Low	61.7	Low	153 Å²	153	70.2 Å²	70.2	71%	0.708	35%	0.349	S	S	*	.	H	α-helix	trans	-66.6	-29.2	171.7	-166	68.6	0	0	0	112.2	S73	S73-H75 PolarHBondContact O-N 2.85Å
76	K	58	Low	62.7	Low	75 Å²	75	72.9 Å²	72.9	33%	0.326	36%	0.362	S	S	.	.	H	α-helix	trans	-73.5	-36.1	175.6	-62.3	-171	177.5	-171.5	0	111.6	D42 I45 S73 Y74 S78 K79 L80	D42-K76 WeakPolarHBondContact OD1-CE 3.08Å; D42-K76 IonicContact OD1-NZ 2.67Å; D42-K76 PolarHBondContact OD1-NZ 3.36Å; D42-K76 IonicContact OD2-NZ 2.59Å; D42-K76 PolarHBondContact OD2-NZ 2.81Å; I45-K76 HydrophobicContact CD1-CB 3.77Å; I45-K76 HydrophobicContact CD1-CD 4.17Å; S73-K76 WeakPolarHBondContact O-CA 3.36Å; S73-K76 WeakPolarHBondContact O-CB 3.43Å; S73-K76 PolarHBondContact O-N 2.9Å; Y74-K76 PolarHBondContact O-N 3.14Å; K76-S78 VanDerWaalsContact C-N 3.32Å; K76-S78 PolarHBondContact O-N 3.19Å; K76-K79 PolarHBondContact O-N 3.23Å; K76-L80 PolarHBondContact O-N 3.05Å
77	F	63.7	Low	63.8	Low	16 Å²	16	72.6 Å²	72.6	7%	0.07	36%	0.361	C	S	.	.	H	α-helix	trans	-63.5	-32.6	174.5	-80.9	-74.3	0	0	0	113.4	V66 S73 Y74 K79 L80 F81 F113	V66-F77 HydrophobicContact CG2-CZ 4.49Å; S73-F77 WeakPolarHBondContact O-CD2 3.37Å; S73-F77 PolarHBondContact O-N 3.33Å; Y74-F77 HydrophobicContact CD1-CD2 4Å; Y74-F77 HydrophobicContact CE1-CD2 4.5Å; Y74-F77 PolarHBondContact O-N 3.15Å; F77-K79 VanDerWaalsContact C-N 3.28Å; F77-K79 PolarHBondContact O-N 3.47Å; F77-L80 HydrophobicContact CD1-CD2 3.77Å; F77-L80 HydrophobicContact CE1-CD2 4.04Å; F77-L80 CarbonylContact O-C 3.48Å; F77-L80 WeakPolarHBondContact O-CA 3.31Å; F77-L80 VanDerWaalsContact O-CB 3.26Å; F77-L80 WeakPolarHBondContact O-CB 3.37Å; F77-L80 PolarHBondContact O-N 3.03Å; F77-F81 HydrophobicContact CB-CD2 4.32Å; F77-F81 HydrophobicContact CB-CE2 3.76Å; F77-F81 HydrophobicContact CB-CZ 3.89Å; F77-F81 HydrophobicContact CD1-CE1 4.15Å; F77-F81 AromaticContact CD1-CZ 3.97Å; F77-F81 HydrophobicContact CD1-CZ 3.97Å; F77-F81 HydrophobicContact CG-CZ 4.24Å; F77-F81 VanDerWaalsContact O-CD2 3.27Å; F77-F81 WeakPolarHBondContact O-CD2 3.26Å; F77-F81 VanDerWaalsContact O-CG 3.24Å; F77-F81 WeakPolarHBondContact O-CG 3.35Å; F77-F81 PolarHBondContact O-N 3.4Å; F77-F113 HydrophobicContact CD1-CD2 4.48Å; F77-F113 HydrophobicContact CD1-CE2 4.09Å; F77-F113 HydrophobicContact CE1-CD2 4.19Å; F77-F113 AromaticContact CE1-CE2 3.95Å; F77-F113 HydrophobicContact CE1-CE2 3.95Å
78	S	63.9	Low	65.1	Low	35 Å²	35	67.1 Å²	67.1	25%	0.245	34%	0.337	C	S	.	.	H	α-helix	trans	-58.1	-38.5	176.5	177.1	0	0	0	0	113.2	Y74 K76 K82 W120	Y74-S78 PolarHBondContact O-N 3.21Å; K76-S78 VanDerWaalsContact C-N 3.32Å; K76-S78 PolarHBondContact O-N 3.19Å; S78-K82 WeakPolarHBondContact O-CG 3.46Å; S78-K82 PolarHBondContact O-N 2.98Å; S78-W120 PolarHBondContact O-NE1 3.15Å; S78-W120 PolarHBondContact OG-NE1 3.3Å
79	K	66.9	Low	66.5	Low	138 Å²	138	60.9 Å²	60.9	60%	0.6	31%	0.313	S	S	*	.	H	α-helix	trans	-69.2	-40.9	173.8	-69.6	-176.1	-179.5	178.8	0	111.5	K76 F77 K82 A83	K76-K79 PolarHBondContact O-N 3.23Å; F77-K79 VanDerWaalsContact C-N 3.28Å; F77-K79 PolarHBondContact O-N 3.47Å; K79-K82 PolarHBondContact O-N 2.73Å; K79-A83 PolarHBondContact O-N 3.32Å
80	L	68.3	Low	68.1	Low	4 Å²	4	60.3 Å²	60.3	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-58.6	-51.6	176	-165.3	76.6	0	0	0	111	I45 I48 M62 K76 F77 K82 A83 L84	I45-L80 HydrophobicContact CG1-CD1 4.39Å; I48-L80 HydrophobicContact CB-CD1 3.63Å; I48-L80 HydrophobicContact CD1-CD1 3.82Å; I48-L80 HydrophobicContact CG1-CD1 4.35Å; I48-L80 HydrophobicContact CG2-CD1 3.4Å; I48-L80 VanDerWaalsContact CG2-CD1 3.4Å; I48-L80 HydrophobicContact CG2-CG 4.23Å; M62-L80 HydrophobicContact CE-CD2 3.83Å; M62-L80 HydrophobicContact CG-CD2 4.35Å; M62-L80 HydrophobicContact SD-CD2 4.1Å; K76-L80 PolarHBondContact O-N 3.05Å; F77-L80 HydrophobicContact CD1-CD2 3.77Å; F77-L80 HydrophobicContact CE1-CD2 4.04Å; F77-L80 CarbonylContact O-C 3.48Å; F77-L80 WeakPolarHBondContact O-CA 3.31Å; F77-L80 VanDerWaalsContact O-CB 3.26Å; F77-L80 WeakPolarHBondContact O-CB 3.37Å; F77-L80 PolarHBondContact O-N 3.03Å; L80-K82 VanDerWaalsContact C-N 3.35Å; L80-K82 PolarHBondContact O-N 3.24Å; L80-A83 WeakPolarHBondContact O-CB 3.47Å; L80-A83 PolarHBondContact O-N 3.44Å; L80-L84 PolarHBondContact O-N 3.35Å
81	F	74.8	Confident	70	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.009	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-38.7	-178.4	-60.8	-34.2	0	0	0	112.7	F77 A83 L84 P87 F113 F117 W120	F77-F81 HydrophobicContact CB-CD2 4.32Å; F77-F81 HydrophobicContact CB-CE2 3.76Å; F77-F81 HydrophobicContact CB-CZ 3.89Å; F77-F81 HydrophobicContact CD1-CE1 4.15Å; F77-F81 AromaticContact CD1-CZ 3.97Å; F77-F81 HydrophobicContact CD1-CZ 3.97Å; F77-F81 HydrophobicContact CG-CZ 4.24Å; F77-F81 VanDerWaalsContact O-CD2 3.27Å; F77-F81 WeakPolarHBondContact O-CD2 3.26Å; F77-F81 VanDerWaalsContact O-CG 3.24Å; F77-F81 WeakPolarHBondContact O-CG 3.35Å; F77-F81 PolarHBondContact O-N 3.4Å; F81-A83 PolarHBondContact O-N 3.28Å; F81-L84 HydrophobicContact CD1-CD1 3.96Å; F81-L84 PolarHBondContact O-N 3.05Å; F81-P87 WeakPolarHBondContact O-CG 3.21Å; F81-F113 AromaticContact CE1-CE2 3.55Å; F81-F113 HydrophobicContact CE1-CE2 3.55Å; F81-F113 AromaticContact CE1-CZ 3.61Å; F81-F113 HydrophobicContact CE1-CZ 3.61Å; F81-F113 HydrophobicContact CZ-CD2 4.23Å; F81-F113 AromaticContact CZ-CE2 3.52Å; F81-F113 HydrophobicContact CZ-CE2 3.52Å; F81-F113 AromaticContact CZ-CZ 3.86Å; F81-F113 HydrophobicContact CZ-CZ 3.86Å; F81-F117 AromaticContact CD1-CD2 3.88Å; F81-F117 HydrophobicContact CD1-CD2 3.88Å; F81-F117 HydrophobicContact CD1-CE2 4.26Å; F81-F117 AromaticContact CD2-CD2 3.95Å; F81-F117 HydrophobicContact CD2-CD2 3.95Å; F81-F117 AromaticContact CE1-CD2 3.88Å; F81-F117 HydrophobicContact CE1-CD2 3.88Å; F81-F117 HydrophobicContact CE2-CB 4.13Å; F81-F117 AromaticContact CE2-CD2 3.93Å; F81-F117 HydrophobicContact CE2-CD2 3.93Å; F81-F117 AromaticContact CG-CD2 3.93Å; F81-F117 HydrophobicContact CG-CD2 3.93Å; F81-F117 HydrophobicContact CG-CE2 4.27Å; F81-F117 HydrophobicContact CZ-CB 4.1Å; F81-F117 AromaticContact CZ-CD2 3.89Å; F81-F117 HydrophobicContact CZ-CD2 3.89Å; F81-W120 HydrophobicContact CB-CD2 3.62Å; F81-W120 VanDerWaalsContact CB-CE2 3.48Å; F81-W120 HydrophobicContact CB-CE3 3.84Å; F81-W120 HydrophobicContact CB-CG 4.26Å; F81-W120 HydrophobicContact CB-CH2 3.86Å; F81-W120 HydrophobicContact CB-CZ2 3.62Å; F81-W120 HydrophobicContact CB-CZ3 3.96Å; F81-W120 HydrophobicContact CD2-CB 3.93Å; F81-W120 AromaticContact CD2-CD2 3.8Å; F81-W120 HydrophobicContact CD2-CD2 3.8Å; F81-W120 HydrophobicContact CD2-CE3 4.12Å; F81-W120 AromaticContact CD2-CG 3.7Å; F81-W120 HydrophobicContact CD2-CG 3.7Å; F81-W120 HydrophobicContact CE2-CB 4.39Å; F81-W120 HydrophobicContact CG-CD2 4.15Å; F81-W120 HydrophobicContact CG-CE3 4.27Å; F81-W120 HydrophobicContact CG-CG 4.47Å
82	K	73.9	Confident	71.9	Confident	149 Å²	149	52 Å²	52	65%	0.648	26%	0.256	S	S	*	.	H	α-helix	trans	-62.8	-28.2	173.6	-81.6	-177.5	176.4	-176.5	0	113.4	S78 K79 L80 W120	S78-K82 WeakPolarHBondContact O-CG 3.46Å; S78-K82 PolarHBondContact O-N 2.98Å; K79-K82 PolarHBondContact O-N 2.73Å; L80-K82 VanDerWaalsContact C-N 3.35Å; L80-K82 PolarHBondContact O-N 3.24Å; K82-W120 HydrophobicContact CB-CZ2 4.44Å; K82-W120 HydrophobicContact CG-CZ2 3.76Å
83	A	73.3	Confident	73.7	Confident	43 Å²	43	47.2 Å²	47.2	36%	0.355	24%	0.24	S	C	.	.	H	α-helix	trans	-86.1	-14.5	178.8	0	0	0	0	0	113.2	L49 K79 L80 F81	L49-A83 HydrophobicContact CD2-CB 3.41Å; L49-A83 VanDerWaalsContact CD2-CB 3.41Å; K79-A83 PolarHBondContact O-N 3.32Å; L80-A83 WeakPolarHBondContact O-CB 3.47Å; L80-A83 PolarHBondContact O-N 3.44Å; F81-A83 PolarHBondContact O-N 3.28Å
84	L	72.8	Confident	75	Confident	10 Å²	10	46 Å²	46	5%	0.052	23%	0.231	C	C	.	.			trans	-67.3	130.4	175.9	-63	174.7	0	0	0	109.5	I54 M62 L80 F81 N86 P87 N90	I54-L84 HydrophobicContact CD1-CD2 3.36Å; M62-L84 HydrophobicContact SD-CD2 4.44Å; L80-L84 PolarHBondContact O-N 3.35Å; F81-L84 HydrophobicContact CD1-CD1 3.96Å; F81-L84 PolarHBondContact O-N 3.05Å; L84-N86 VanDerWaalsContact C-N 3.3Å; L84-N86 PolarHBondContact O-N 3.42Å; L84-P87 HydrophobicContact CB-CB 4.36Å; L84-P87 HydrophobicContact CB-CG 4.11Å; L84-P87 WeakPolarHBondContact O-CD 3.47Å; L84-N90 HydrophobicContact CD1-CB 4.17Å; L84-N90 HydrophobicContact CD2-CB 4.47Å
85	P	75.6	Confident	76.5	Confident	87 Å²	87	42.7 Å²	42.7	57%	0.565	22%	0.219	S	C	*	.	S	Bend	trans	-66.6	-32	-179	24.1	-32	0	0	0	112.5	I54	I54-P85 HydrophobicContact CG1-CG 4.49Å
86	N	83.5	Confident	78	Confident	71 Å²	71	39.7 Å²	39.7	38%	0.38	21%	0.205	S	C	.	.	S	Bend	trans	-140.3	81.3	173.3	-171.2	-25.5	0	0	0	110.4	L84 L88 C89 N90	L84-N86 VanDerWaalsContact C-N 3.3Å; L84-N86 PolarHBondContact O-N 3.42Å; N86-L88 VanDerWaalsContact C-N 3.26Å; N86-L88 PolarHBondContact O-N 2.82Å; N86-L88 VanDerWaalsContact O-N 3.11Å; N86-C89 HydrophobicContact CB-CB 3.9Å; N86-C89 PolarHBondContact O-N 3.26Å; N86-C89 WeakPolarHBondContact OD1-CB 3.49Å; N86-C89 PolarHBondContact OD1-N 3.29Å; N86-N90 PolarHBondContact N-OD1 3.1Å; N86-N90 WeakPolarHBondContact O-CB 3.39Å; N86-N90 VanDerWaalsContact O-CG 3.23Å; N86-N90 PolarHBondContact O-N 3.12Å; N86-N90 PolarHBondContact O-OD1 3.19Å
87	P	86.2	Confident	79	Confident	6 Å²	6	38.9 Å²	38.9	4%	0.039	21%	0.209	C	C	.	.	H	α-helix	trans	-53.7	-39.3	-169.9	-24.9	31.7	0	0	0	113.8	F81 L84 V91 F117 W120 F126	F81-P87 WeakPolarHBondContact O-CG 3.21Å; L84-P87 HydrophobicContact CB-CB 4.36Å; L84-P87 HydrophobicContact CB-CG 4.11Å; L84-P87 WeakPolarHBondContact O-CD 3.47Å; P87-V91 VanDerWaalsContact O-CG2 3.27Å; P87-V91 WeakPolarHBondContact O-CG2 3.34Å; P87-V91 PolarHBondContact O-N 2.99Å; P87-F117 HydrophobicContact CB-CE2 3.87Å; P87-F117 HydrophobicContact CB-CZ 3.94Å; P87-W120 HydrophobicContact CB-CH2 4.01Å; P87-W120 HydrophobicContact CB-CZ3 3.98Å; P87-W120 HydrophobicContact CG-CH2 3.92Å; P87-W120 HydrophobicContact CG-CZ3 4.39Å; P87-F126 HydrophobicContact CB-CZ 4.48Å; P87-F126 HydrophobicContact CG-CD2 4.48Å; P87-F126 HydrophobicContact CG-CE2 3.96Å; P87-F126 HydrophobicContact CG-CZ 4.16Å
88	L	89	Confident	79.5	Confident	3 Å²	3	38.5 Å²	38.5	2%	0.016	21%	0.208	C	C	.	.	H	α-helix	trans	-65.8	-50.2	176.9	-68.1	168.5	0	0	0	111.6	N86 N90 V91 L92 F117 F126 V131 L135 I157 Y158	N86-L88 VanDerWaalsContact C-N 3.26Å; N86-L88 PolarHBondContact O-N 2.82Å; N86-L88 VanDerWaalsContact O-N 3.11Å; L88-N90 VanDerWaalsContact C-N 3.32Å; L88-N90 PolarHBondContact O-N 3.28Å; L88-V91 PolarHBondContact O-N 3.03Å; L88-L92 PolarHBondContact O-N 3.3Å; L88-F117 HydrophobicContact CD2-CE1 4.03Å; L88-F117 HydrophobicContact CD2-CZ 4.27Å; L88-F126 HydrophobicContact CD1-CE1 3.67Å; L88-F126 HydrophobicContact CD1-CZ 4.23Å; L88-F126 HydrophobicContact CD2-CE1 4.49Å; L88-F126 HydrophobicContact CG-CE1 3.71Å; L88-F126 HydrophobicContact CG-CZ 4.28Å; L88-V131 HydrophobicContact CD1-CG2 3.78Å; L88-L135 HydrophobicContact CB-CD1 4.17Å; L88-L135 HydrophobicContact CD1-CD1 4.41Å; L88-I157 HydrophobicContact CD2-CG2 3.87Å; L88-Y158 HydrophobicContact CB-CE1 4.06Å; L88-Y158 HydrophobicContact CD2-CD1 4.42Å; L88-Y158 HydrophobicContact CD2-CE1 3.95Å; L88-Y158 PolarHBondContact O-OH 2.96Å
89	C	88.9	Confident	79.8	Confident	28 Å²	28	40.3 Å²	40.3	19%	0.189	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-42.9	178.6	-172.2	0	0	0	0	111.6	N86 V91 L92 Q93 L135 R138	N86-C89 HydrophobicContact CB-CB 3.9Å; N86-C89 PolarHBondContact O-N 3.26Å; N86-C89 WeakPolarHBondContact OD1-CB 3.49Å; N86-C89 PolarHBondContact OD1-N 3.29Å; C89-V91 PolarHBondContact O-N 3.27Å; C89-L92 PolarHBondContact O-N 2.99Å; C89-Q93 PolarHBondContact O-N 3.06Å; C89-L135 HydrophobicContact CB-CD2 4.17Å; C89-R138 PolarHBondContact SG-NH1 3.33Å
90	N	86.1	Confident	79.6	Confident	15 Å²	15	41.5 Å²	41.5	8%	0.08	23%	0.232	C	C	.	.	H	α-helix	trans	-68.5	-33.2	-177.1	-62.7	128.6	0	0	0	112.6	I54 L84 N86 L88 Q93 L94	I54-N90 HydrophobicContact CD1-CB 4.1Å; I54-N90 VanDerWaalsContact CD1-CG 3.47Å; I54-N90 WeakPolarHBondContact CD1-ND2 3.44Å; L84-N90 HydrophobicContact CD1-CB 4.17Å; L84-N90 HydrophobicContact CD2-CB 4.47Å; N86-N90 PolarHBondContact N-OD1 3.1Å; N86-N90 WeakPolarHBondContact O-CB 3.39Å; N86-N90 VanDerWaalsContact O-CG 3.23Å; N86-N90 PolarHBondContact O-N 3.12Å; N86-N90 PolarHBondContact O-OD1 3.19Å; L88-N90 VanDerWaalsContact C-N 3.32Å; L88-N90 PolarHBondContact O-N 3.28Å; N90-Q93 PolarHBondContact O-N 3.1Å; N90-L94 PolarHBondContact O-N 2.84Å
91	V	87.1	Confident	79.2	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-64	-42.9	173.3	165.1	0	0	0	0	111.5	P87 L88 C89 Q93 L94 I95 F113 L114 F117	P87-V91 VanDerWaalsContact O-CG2 3.27Å; P87-V91 WeakPolarHBondContact O-CG2 3.34Å; P87-V91 PolarHBondContact O-N 2.99Å; L88-V91 PolarHBondContact O-N 3.03Å; C89-V91 PolarHBondContact O-N 3.27Å; V91-Q93 VanDerWaalsContact C-N 3.34Å; V91-L94 PolarHBondContact O-N 3.2Å; V91-I95 HydrophobicContact CG1-CD1 4.28Å; V91-I95 WeakPolarHBondContact O-CG1 3.45Å; V91-I95 PolarHBondContact O-N 3.29Å; V91-F113 HydrophobicContact CG1-CE1 4.37Å; V91-F113 HydrophobicContact CG2-CE1 4.18Å; V91-F113 HydrophobicContact CG2-CZ 4.37Å; V91-L114 HydrophobicContact CG1-CD2 3.59Å; V91-F117 HydrophobicContact CG2-CD1 4.15Å; V91-F117 HydrophobicContact CG2-CD2 3.56Å; V91-F117 HydrophobicContact CG2-CE1 4.09Å; V91-F117 HydrophobicContact CG2-CE2 3.49Å; V91-F117 VanDerWaalsContact CG2-CE2 3.49Å; V91-F117 HydrophobicContact CG2-CG 3.88Å; V91-F117 HydrophobicContact CG2-CZ 3.77Å
92	L	89.7	Confident	78.8	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-42.4	175.6	-63.1	-178.9	0	0	0	111.4	L88 C89 L94 I95 E96 L135 R138 A139 Y158	L88-L92 PolarHBondContact O-N 3.3Å; C89-L92 PolarHBondContact O-N 2.99Å; L92-L94 VanDerWaalsContact C-N 3.31Å; L92-L94 PolarHBondContact O-N 3.38Å; L92-I95 PolarHBondContact O-N 2.65Å; L92-I95 VanDerWaalsContact O-N 3.09Å; L92-E96 WeakPolarHBondContact O-CG 3.49Å; L92-E96 PolarHBondContact O-N 3Å; L92-L135 HydrophobicContact CD1-CD2 4.25Å; L92-R138 HydrophobicContact CD1-CB 3.96Å; L92-R138 HydrophobicContact CD1-CG 3.89Å; L92-A139 HydrophobicContact CD1-CB 4.02Å; L92-A139 HydrophobicContact CD2-CB 3.88Å; L92-Y158 HydrophobicContact CD1-CE1 3.86Å; L92-Y158 HydrophobicContact CD2-CE1 4.21Å; L92-Y158 HydrophobicContact CD2-CE2 3.98Å; L92-Y158 WeakPolarHBondContact CD2-OH 3.29Å; L92-Y158 HydrophobicContact CG-CE1 4.01Å; L92-Y158 WeakPolarHBondContact CG-OH 3.35Å
93	Q	85.6	Confident	78.9	Confident	58 Å²	58	45.8 Å²	45.8	27%	0.271	28%	0.281	S	S	.	.	H	α-helix	trans	-60.8	-40.1	178.2	-163.6	179.4	-2	0	0	112.1	L59 C89 N90 V91 I95 E96 S97	L59-Q93 HydrophobicContact CD1-CG 3.68Å; C89-Q93 PolarHBondContact O-N 3.06Å; N90-Q93 PolarHBondContact O-N 3.1Å; V91-Q93 VanDerWaalsContact C-N 3.34Å; Q93-I95 VanDerWaalsContact C-N 3.27Å; Q93-I95 PolarHBondContact O-N 3.43Å; Q93-E96 PolarHBondContact O-N 3.08Å; Q93-S97 PolarHBondContact O-N 3.48Å; Q93-S97 PolarHBondContact O-OG 3.5Å; Q93-S97 VanDerWaalsContact O-OG 3.09Å
94	L	81.7	Confident	79.2	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.2	-39.7	174.6	-179.8	70.3	0	0	0	112.2	L59 M62 F63 V66 N90 V91 L92 S97 C98 F113	L59-L94 HydrophobicContact CD2-CB 4.45Å; M62-L94 HydrophobicContact CB-CD1 3.84Å; M62-L94 HydrophobicContact CE-CD2 4.21Å; F63-L94 HydrophobicContact CB-CD1 4.04Å; V66-L94 HydrophobicContact CG2-CD2 4.32Å; N90-L94 PolarHBondContact O-N 2.84Å; V91-L94 PolarHBondContact O-N 3.2Å; L92-L94 VanDerWaalsContact C-N 3.31Å; L92-L94 PolarHBondContact O-N 3.38Å; L94-S97 PolarHBondContact O-N 3.23Å; L94-C98 PolarHBondContact O-SG 3.44Å; L94-C98 VanDerWaalsContact O-SG 3.33Å; L94-F113 HydrophobicContact CD2-CD1 4.24Å; L94-F113 HydrophobicContact CD2-CE1 3.58Å; L94-F113 HydrophobicContact CD2-CE2 4.29Å; L94-F113 HydrophobicContact CD2-CZ 3.59Å
95	I	83.5	Confident	79.5	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-71.2	-41.3	179.7	-60.3	164.5	0	0	0	110.3	V91 L92 Q93 S97 C98 M110 L114 V142 M143 F146	V91-I95 HydrophobicContact CG1-CD1 4.28Å; V91-I95 WeakPolarHBondContact O-CG1 3.45Å; V91-I95 PolarHBondContact O-N 3.29Å; L92-I95 PolarHBondContact O-N 2.65Å; L92-I95 VanDerWaalsContact O-N 3.09Å; Q93-I95 VanDerWaalsContact C-N 3.27Å; Q93-I95 PolarHBondContact O-N 3.43Å; I95-S97 PolarHBondContact O-N 3.04Å; I95-C98 WeakPolarHBondContact O-CB 3.35Å; I95-C98 PolarHBondContact O-N 3.37Å; I95-C98 PolarHBondContact O-SG 2.95Å; I95-M110 HydrophobicContact CB-CE 4.41Å; I95-M110 HydrophobicContact CG1-CE 3.85Å; I95-M110 HydrophobicContact CG1-CG 4.37Å; I95-M110 HydrophobicContact CG1-SD 3.86Å; I95-L114 HydrophobicContact CD1-CD1 4.36Å; I95-L114 HydrophobicContact CD1-CD2 4.04Å; I95-V142 HydrophobicContact CB-CG1 3.84Å; I95-V142 HydrophobicContact CG2-CG1 3.53Å; I95-M143 HydrophobicContact CB-CE 4.43Å; I95-M143 HydrophobicContact CD1-CE 3.46Å; I95-M143 VanDerWaalsContact CD1-CE 3.46Å; I95-M143 HydrophobicContact CG1-CE 4.38Å; I95-M143 HydrophobicContact CG2-CE 3.72Å; I95-F146 HydrophobicContact CG2-CB 4.04Å; I95-F146 HydrophobicContact CG2-CD1 4.09Å; I95-F146 HydrophobicContact CG2-CD2 3.86Å; I95-F146 HydrophobicContact CG2-CE2 4.36Å; I95-F146 HydrophobicContact CG2-CG 3.71Å
96	E	84.8	Confident	79.7	Confident	89 Å²	89	46.7 Å²	46.7	42%	0.416	29%	0.29	S	S	.	.	H	α-helix	trans	-61.9	-32.4	175.9	-70.7	166.9	169.5	0	0	112.6	L92 Q93 C98 R138 V142	L92-E96 WeakPolarHBondContact O-CG 3.49Å; L92-E96 PolarHBondContact O-N 3Å; Q93-E96 PolarHBondContact O-N 3.08Å; E96-C98 PolarHBondContact O-N 3.23Å; E96-R138 IonicContact OE1-CZ 3.58Å; E96-R138 IonicContact OE1-NE 2.86Å; E96-R138 PolarHBondContact OE1-NE 3.37Å; E96-R138 IonicContact OE1-NH2 3.54Å; E96-R138 PolarHBondContact OE1-NH2 2.79Å; E96-R138 IonicContact OE2-CZ 3.53Å; E96-R138 IonicContact OE2-NE 3.61Å; E96-R138 IonicContact OE2-NH2 3.56Å; E96-R138 PolarHBondContact OE2-NH2 3.16Å; E96-V142 HydrophobicContact CG-CB 4.45Å; E96-V142 HydrophobicContact CG-CG1 4.01Å; E96-V142 HydrophobicContact CG-CG2 3.51Å; E96-V142 WeakPolarHBondContact OE1-CG2 3.38Å
97	S	79.9	Confident	79.7	Confident	58 Å²	58	43.8 Å²	43.8	41%	0.406	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-5.2	174.8	-60.6	0	0	0	0	113.8	Q93 L94 I95	Q93-S97 PolarHBondContact O-N 3.48Å; Q93-S97 PolarHBondContact O-OG 3.5Å; Q93-S97 VanDerWaalsContact O-OG 3.09Å; L94-S97 PolarHBondContact O-N 3.23Å; I95-S97 PolarHBondContact O-N 3.04Å
98	C	75	Confident	79.5	Confident	8 Å²	8	47.5 Å²	47.5	5%	0.054	29%	0.294	C	S	.	.	S	Bend	trans	-77.3	134	176.8	-63.4	0	0	0	0	110.5	F63 L94 I95 E96 M110 F146	F63-C98 VanDerWaalsContact CD2-SG 3.54Å; F63-C98 HydrophobicContact CE2-CB 4.24Å; F63-C98 WeakPolarHBondContact CE2-SG 3.45Å; L94-C98 PolarHBondContact O-SG 3.44Å; L94-C98 VanDerWaalsContact O-SG 3.33Å; I95-C98 WeakPolarHBondContact O-CB 3.35Å; I95-C98 PolarHBondContact O-N 3.37Å; I95-C98 PolarHBondContact O-SG 2.95Å; E96-C98 PolarHBondContact O-N 3.23Å; C98-M110 WeakPolarHBondContact SG-CE 3.35Å; C98-F146 HydrophobicContact CB-CD2 4.28Å; C98-F146 HydrophobicContact CB-CE2 3.47Å; C98-F146 VanDerWaalsContact CB-CE2 3.47Å; C98-F146 HydrophobicContact CB-CZ 4.23Å
99	P	68.7	Low	79.1	Confident	74 Å²	74	48.9 Å²	48.9	48%	0.481	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-66.1	152.8	-178.6	-2.7	11.5	0	0	0	112.4	M102	P99-M102 HydrophobicContact CB-CE 3.44Å; P99-M102 VanDerWaalsContact CB-CE 3.44Å; P99-M102 HydrophobicContact CG-CE 3.5Å; P99-M102 WeakPolarHBondContact O-CE 3.13Å; P99-M102 VanDerWaalsContact O-CG 3.26Å; P99-M102 WeakPolarHBondContact O-CG 3.44Å
100	D	63	Low	78.8	Confident	163 Å²	163	47.7 Å²	47.7	87%	0.872	30%	0.296	S	S	*	.	S	Bend	trans	-66.2	147.1	177.5	-69.8	-35.2	0	0	0	112.3
101	G	60.7	Low	78.8	Confident	83 Å²	83	51.7 Å²	51.7	86%	0.856	31%	0.313	S	S	*	.	S	Bend	trans	82.4	38.5	171.7	0	0	0	0	0	115.7
102	M	66.6	Low	78.6	Confident	65 Å²	65	57.4 Å²	57.4	32%	0.32	33%	0.334	S	S	.	.			trans	-73	150.8	-173.7	-73.3	-64	121.9	0	0	115.4	P99 T106	P99-M102 HydrophobicContact CB-CE 3.44Å; P99-M102 VanDerWaalsContact CB-CE 3.44Å; P99-M102 HydrophobicContact CG-CE 3.5Å; P99-M102 WeakPolarHBondContact O-CE 3.13Å; P99-M102 VanDerWaalsContact O-CG 3.26Å; P99-M102 WeakPolarHBondContact O-CG 3.44Å; M102-T106 HydrophobicContact CB-CG2 4.25Å; M102-T106 HydrophobicContact CG-CG2 4.01Å; M102-T106 HydrophobicContact SD-CG2 3.98Å
103	N	75.6	Confident	78.4	Confident	97 Å²	97	57.6 Å²	57.6	52%	0.519	34%	0.335	S	S	.	.			trans	-74.7	160.1	172.9	65.3	15.3	0	0	0	112.3	A105 T106 V107	N103-A105 PolarHBondContact O-N 2.94Å; N103-A105 VanDerWaalsContact O-N 3.15Å; N103-T106 PolarHBondContact O-N 3.31Å; N103-T106 PolarHBondContact OD1-N 3.39Å; N103-T106 VanDerWaalsContact OD1-N 3.11Å; N103-T106 PolarHBondContact OD1-OG1 2.89Å; N103-V107 PolarHBondContact O-N 3.46Å
104	S	79.8	Confident	78.5	Confident	95 Å²	95	54.8 Å²	54.8	66%	0.664	32%	0.322	S	S	*	.	H	α-helix	trans	-53.4	-36.7	-179.4	53.1	0	0	0	0	113.5	T106 V107 D108	S104-T106 VanDerWaalsContact C-N 3.31Å; S104-T106 PolarHBondContact O-N 2.99Å; S104-V107 PolarHBondContact O-N 3.39Å; S104-D108 PolarHBondContact O-N 2.98Å
105	A	78.8	Confident	78.8	Confident	55 Å²	55	57 Å²	57	46%	0.455	34%	0.337	S	S	.	.	H	α-helix	trans	-60.6	-38.1	178.8	0	0	0	0	0	113	N103 D108 S109	N103-A105 PolarHBondContact O-N 2.94Å; N103-A105 VanDerWaalsContact O-N 3.15Å; A105-D108 PolarHBondContact O-N 3.44Å; A105-S109 PolarHBondContact O-N 3.3Å; A105-S109 PolarHBondContact O-OG 3.19Å
106	T	79.2	Confident	78.9	Confident	8 Å²	8	57.5 Å²	57.5	5%	0.049	34%	0.341	C	S	.	.	H	α-helix	trans	-69.9	-41	178.5	-55	0	0	0	0	111	F63 M102 N103 S104 D108 S109 M110	F63-T106 HydrophobicContact CE2-CG2 4.3Å; F63-T106 HydrophobicContact CZ-CG2 4.41Å; M102-T106 HydrophobicContact CB-CG2 4.25Å; M102-T106 HydrophobicContact CG-CG2 4.01Å; M102-T106 HydrophobicContact SD-CG2 3.98Å; N103-T106 PolarHBondContact O-N 3.31Å; N103-T106 PolarHBondContact OD1-N 3.39Å; N103-T106 VanDerWaalsContact OD1-N 3.11Å; N103-T106 PolarHBondContact OD1-OG1 2.89Å; S104-T106 VanDerWaalsContact C-N 3.31Å; S104-T106 PolarHBondContact O-N 2.99Å; T106-D108 VanDerWaalsContact C-N 3.32Å; T106-D108 PolarHBondContact O-N 3.39Å; T106-S109 PolarHBondContact O-N 2.82Å; T106-M110 WeakPolarHBondContact O-CB 3.48Å; T106-M110 PolarHBondContact O-N 2.94Å
107	V	82.9	Confident	79	Confident	10 Å²	10	53.2 Å²	53.2	6%	0.061	32%	0.322	C	S	.	.	H	α-helix	trans	-61	-43	175	178.8	0	0	0	0	110.6	N103 S104 M110 K111 H147 S149 L150	N103-V107 PolarHBondContact O-N 3.46Å; S104-V107 PolarHBondContact O-N 3.39Å; V107-M110 PolarHBondContact O-N 3.41Å; V107-K111 WeakPolarHBondContact O-CB 3.38Å; V107-K111 PolarHBondContact O-N 2.86Å; V107-H147 HydrophobicContact CG1-CB 4.35Å; V107-H147 HydrophobicContact CG2-CB 4.32Å; V107-S149 WeakPolarHBondContact CG1-OG 3.5Å; V107-L150 HydrophobicContact CG1-CD2 3.99Å; V107-L150 HydrophobicContact CG1-CG 4.25Å
108	D	82.6	Confident	79.4	Confident	85 Å²	85	52.4 Å²	52.4	46%	0.455	31%	0.311	S	S	.	.	H	α-helix	trans	-64.4	-42.8	177.2	-75.8	-23.7	0	0	0	112.6	S104 A105 T106 K111 R112	S104-D108 PolarHBondContact O-N 2.98Å; A105-D108 PolarHBondContact O-N 3.44Å; T106-D108 VanDerWaalsContact C-N 3.32Å; T106-D108 PolarHBondContact O-N 3.39Å; D108-K111 WeakPolarHBondContact O-CB 3.35Å; D108-K111 PolarHBondContact O-N 3.12Å; D108-R112 VanDerWaalsContact O-CG 3.29Å; D108-R112 WeakPolarHBondContact O-CG 3.28Å; D108-R112 PolarHBondContact O-N 3.14Å
109	S	80.2	Confident	80	Confident	32 Å²	32	56.9 Å²	56.9	22%	0.224	33%	0.334	C	S	.	.	H	α-helix	trans	-61.4	-44.1	174.6	-70.8	0	0	0	0	111.7	A105 T106 K111 R112 F113	A105-S109 PolarHBondContact O-N 3.3Å; A105-S109 PolarHBondContact O-OG 3.19Å; T106-S109 PolarHBondContact O-N 2.82Å; S109-K111 PolarHBondContact O-N 3.15Å; S109-R112 PolarHBondContact O-N 3.36Å; S109-F113 PolarHBondContact O-N 3.02Å
110	M	83.9	Confident	80.9	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-64.6	-40.8	177.2	-168.3	62.4	84.5	0	0	111.5	I95 C98 T106 V107 R112 F113 L114 F146 L150	I95-M110 HydrophobicContact CB-CE 4.41Å; I95-M110 HydrophobicContact CG1-CE 3.85Å; I95-M110 HydrophobicContact CG1-CG 4.37Å; I95-M110 HydrophobicContact CG1-SD 3.86Å; C98-M110 WeakPolarHBondContact SG-CE 3.35Å; T106-M110 WeakPolarHBondContact O-CB 3.48Å; T106-M110 PolarHBondContact O-N 2.94Å; V107-M110 PolarHBondContact O-N 3.41Å; M110-R112 VanDerWaalsContact C-N 3.32Å; M110-R112 PolarHBondContact O-N 3.4Å; M110-F113 PolarHBondContact O-N 2.89Å; M110-F113 HydrophobicContact SD-CD1 4.01Å; M110-L114 HydrophobicContact CG-CD1 4.11Å; M110-L114 HydrophobicContact CG-CG 4.46Å; M110-L114 WeakPolarHBondContact O-CG 3.43Å; M110-L114 PolarHBondContact O-N 3.05Å; M110-F146 HydrophobicContact CB-CE1 4.5Å; M110-F146 HydrophobicContact CG-CE1 4.38Å; M110-L150 HydrophobicContact CB-CD1 4.06Å; M110-L150 HydrophobicContact CG-CD1 3.8Å
111	K	86.5	Confident	82	Confident	99 Å²	99	47.6 Å²	47.6	43%	0.43	28%	0.278	S	S	.	.	H	α-helix	trans	-57	-47	174.9	-168.8	175.3	180	178.2	0	111.6	V107 D108 S109 L114 S115 L150	V107-K111 WeakPolarHBondContact O-CB 3.38Å; V107-K111 PolarHBondContact O-N 2.86Å; D108-K111 WeakPolarHBondContact O-CB 3.35Å; D108-K111 PolarHBondContact O-N 3.12Å; S109-K111 PolarHBondContact O-N 3.15Å; K111-L114 PolarHBondContact O-N 3.45Å; K111-S115 PolarHBondContact O-N 3.41Å; K111-S115 PolarHBondContact O-OG 2.81Å; K111-L150 HydrophobicContact CB-CD2 3.51Å; K111-L150 HydrophobicContact CD-CD2 4.39Å; K111-L150 HydrophobicContact CG-CD2 3.92Å
112	R	82.6	Confident	83.3	Confident	122 Å²	122	47.4 Å²	47.4	46%	0.46	26%	0.257	S	S	.	.	H	α-helix	trans	-64.9	-40.6	178.8	-69.8	175.9	-174.3	-161.1	2.6	112.1	Y74 D108 S109 M110 S115 A116	Y74-R112 VanDerWaalsContact OH-CB 3.31Å; Y74-R112 WeakPolarHBondContact OH-CB 3.35Å; Y74-R112 PolarHBondContact OH-O 3.41Å; D108-R112 VanDerWaalsContact O-CG 3.29Å; D108-R112 WeakPolarHBondContact O-CG 3.28Å; D108-R112 PolarHBondContact O-N 3.14Å; S109-R112 PolarHBondContact O-N 3.36Å; M110-R112 VanDerWaalsContact C-N 3.32Å; M110-R112 PolarHBondContact O-N 3.4Å; R112-S115 PolarHBondContact O-N 3.25Å; R112-A116 PolarHBondContact O-N 3.17Å
113	F	84.1	Confident	84.1	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.018	28%	0.278	C	S	.	.	H	α-helix	trans	-60.4	-47.3	173.5	171.4	-97.2	0	0	0	111.8	M62 V66 F77 F81 V91 L94 S109 M110 S115 A116 F117	M62-F113 HydrophobicContact CE-CZ 4.34Å; V66-F113 HydrophobicContact CG1-CB 3.92Å; V66-F113 HydrophobicContact CG1-CG 4.31Å; V66-F113 HydrophobicContact CG2-CB 4.3Å; V66-F113 HydrophobicContact CG2-CD2 3.5Å; V66-F113 VanDerWaalsContact CG2-CD2 3.5Å; V66-F113 HydrophobicContact CG2-CE2 3.91Å; V66-F113 HydrophobicContact CG2-CG 3.91Å; F77-F113 HydrophobicContact CD1-CD2 4.48Å; F77-F113 HydrophobicContact CD1-CE2 4.09Å; F77-F113 HydrophobicContact CE1-CD2 4.19Å; F77-F113 AromaticContact CE1-CE2 3.95Å; F77-F113 HydrophobicContact CE1-CE2 3.95Å; F81-F113 AromaticContact CE1-CE2 3.55Å; F81-F113 HydrophobicContact CE1-CE2 3.55Å; F81-F113 AromaticContact CE1-CZ 3.61Å; F81-F113 HydrophobicContact CE1-CZ 3.61Å; F81-F113 HydrophobicContact CZ-CD2 4.23Å; F81-F113 AromaticContact CZ-CE2 3.52Å; F81-F113 HydrophobicContact CZ-CE2 3.52Å; F81-F113 AromaticContact CZ-CZ 3.86Å; F81-F113 HydrophobicContact CZ-CZ 3.86Å; V91-F113 HydrophobicContact CG1-CE1 4.37Å; V91-F113 HydrophobicContact CG2-CE1 4.18Å; V91-F113 HydrophobicContact CG2-CZ 4.37Å; L94-F113 HydrophobicContact CD2-CD1 4.24Å; L94-F113 HydrophobicContact CD2-CE1 3.58Å; L94-F113 HydrophobicContact CD2-CE2 4.29Å; L94-F113 HydrophobicContact CD2-CZ 3.59Å; S109-F113 PolarHBondContact O-N 3.02Å; M110-F113 PolarHBondContact O-N 2.89Å; M110-F113 HydrophobicContact SD-CD1 4.01Å; F113-S115 VanDerWaalsContact C-N 3.34Å; F113-S115 PolarHBondContact O-N 3.33Å; F113-A116 PolarHBondContact O-N 2.93Å; F113-F117 PolarHBondContact O-N 3.44Å
114	L	88.5	Confident	84.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.6	-38.7	178.1	-69.4	167.9	0	0	0	112	V91 I95 M110 K111 F117 F118 L150 I153 V154 I157	V91-L114 HydrophobicContact CG1-CD2 3.59Å; I95-L114 HydrophobicContact CD1-CD1 4.36Å; I95-L114 HydrophobicContact CD1-CD2 4.04Å; M110-L114 HydrophobicContact CG-CD1 4.11Å; M110-L114 HydrophobicContact CG-CG 4.46Å; M110-L114 WeakPolarHBondContact O-CG 3.43Å; M110-L114 PolarHBondContact O-N 3.05Å; K111-L114 PolarHBondContact O-N 3.45Å; L114-F117 PolarHBondContact O-N 3.11Å; L114-F118 WeakPolarHBondContact O-CB 3.35Å; L114-F118 PolarHBondContact O-N 3.36Å; L114-L150 HydrophobicContact CD1-CB 4.37Å; L114-L150 HydrophobicContact CD1-CD1 4.08Å; L114-I153 HydrophobicContact CB-CG1 3.88Å; L114-I153 HydrophobicContact CB-CG2 3.86Å; L114-I153 HydrophobicContact CD1-CG2 3.93Å; L114-V154 HydrophobicContact CD1-CG2 3.92Å; L114-V154 HydrophobicContact CD2-CG2 4.49Å; L114-I157 HydrophobicContact CB-CD1 4.1Å; L114-I157 HydrophobicContact CD2-CD1 3.97Å
115	S	88.8	Confident	84.1	Confident	45 Å²	45	45.8 Å²	45.8	32%	0.315	27%	0.266	S	S	.	.	H	α-helix	trans	-59.7	-45.9	172.8	-65.4	0	0	0	0	111.9	K111 R112 F113 F117 F118 D119	K111-S115 PolarHBondContact O-N 3.41Å; K111-S115 PolarHBondContact O-OG 2.81Å; R112-S115 PolarHBondContact O-N 3.25Å; F113-S115 VanDerWaalsContact C-N 3.34Å; F113-S115 PolarHBondContact O-N 3.33Å; S115-F117 VanDerWaalsContact C-N 3.33Å; S115-F117 PolarHBondContact O-N 3.27Å; S115-F118 WeakPolarHBondContact O-CB 3.5Å; S115-F118 PolarHBondContact O-N 3.33Å; S115-D119 VanDerWaalsContact O-CG 3.29Å; S115-D119 PolarHBondContact O-N 3.47Å
116	A	83.6	Confident	84.1	Confident	13 Å²	13	45.1 Å²	45.1	11%	0.107	25%	0.253	C	S	.	.	H	α-helix	trans	-67	-34.8	177.2	0	0	0	0	0	113.2	Y74 R112 F113 W120	Y74-A116 HydrophobicContact CD1-CB 3.05Å; Y74-A116 HydrophobicContact CD2-CB 4.46Å; Y74-A116 HydrophobicContact CE1-CB 3.21Å; Y74-A116 HydrophobicContact CG-CB 3.77Å; R112-A116 PolarHBondContact O-N 3.17Å; F113-A116 PolarHBondContact O-N 2.93Å; A116-W120 WeakPolarHBondContact O-CB 3.5Å; A116-W120 PolarHBondContact O-N 3Å
117	F	87.4	Confident	83.8	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.5	-42.1	172.9	-177.9	-96.1	0	0	0	111.5	F81 P87 L88 V91 F113 L114 S115 W120 K121 I157	F81-F117 AromaticContact CD1-CD2 3.88Å; F81-F117 HydrophobicContact CD1-CD2 3.88Å; F81-F117 HydrophobicContact CD1-CE2 4.26Å; F81-F117 AromaticContact CD2-CD2 3.95Å; F81-F117 HydrophobicContact CD2-CD2 3.95Å; F81-F117 AromaticContact CE1-CD2 3.88Å; F81-F117 HydrophobicContact CE1-CD2 3.88Å; F81-F117 HydrophobicContact CE2-CB 4.13Å; F81-F117 AromaticContact CE2-CD2 3.93Å; F81-F117 HydrophobicContact CE2-CD2 3.93Å; F81-F117 AromaticContact CG-CD2 3.93Å; F81-F117 HydrophobicContact CG-CD2 3.93Å; F81-F117 HydrophobicContact CG-CE2 4.27Å; F81-F117 HydrophobicContact CZ-CB 4.1Å; F81-F117 AromaticContact CZ-CD2 3.89Å; F81-F117 HydrophobicContact CZ-CD2 3.89Å; P87-F117 HydrophobicContact CB-CE2 3.87Å; P87-F117 HydrophobicContact CB-CZ 3.94Å; L88-F117 HydrophobicContact CD2-CE1 4.03Å; L88-F117 HydrophobicContact CD2-CZ 4.27Å; V91-F117 HydrophobicContact CG2-CD1 4.15Å; V91-F117 HydrophobicContact CG2-CD2 3.56Å; V91-F117 HydrophobicContact CG2-CE1 4.09Å; V91-F117 HydrophobicContact CG2-CE2 3.49Å; V91-F117 VanDerWaalsContact CG2-CE2 3.49Å; V91-F117 HydrophobicContact CG2-CG 3.88Å; V91-F117 HydrophobicContact CG2-CZ 3.77Å; F113-F117 PolarHBondContact O-N 3.44Å; L114-F117 PolarHBondContact O-N 3.11Å; S115-F117 VanDerWaalsContact C-N 3.33Å; S115-F117 PolarHBondContact O-N 3.27Å; F117-W120 HydrophobicContact CD2-CE3 4.09Å; F117-W120 HydrophobicContact CD2-CZ3 4.44Å; F117-W120 AromaticContact CE2-CE3 3.84Å; F117-W120 HydrophobicContact CE2-CE3 3.84Å; F117-W120 AromaticContact CE2-CZ3 3.74Å; F117-W120 HydrophobicContact CE2-CZ3 3.74Å; F117-W120 HydrophobicContact CZ-CE3 4.34Å; F117-W120 HydrophobicContact CZ-CZ3 4.05Å; F117-W120 PolarHBondContact O-N 3.34Å; F117-K121 WeakPolarHBondContact O-CB 3.27Å; F117-K121 PolarHBondContact O-N 3.48Å; F117-I157 HydrophobicContact CD1-CD1 4.06Å; F117-I157 HydrophobicContact CD1-CG1 4.31Å; F117-I157 HydrophobicContact CD1-CG2 3.9Å; F117-I157 HydrophobicContact CE1-CG2 3.66Å
118	F	89.8	Confident	83.3	Confident	41 Å²	41	55.3 Å²	55.3	18%	0.18	31%	0.305	C	S	.	.	H	α-helix	trans	-61.3	-47.7	175.2	179	-112.8	0	0	0	111.8	L114 S115 W120 K121 N122 I153 Q156 I157	L114-F118 WeakPolarHBondContact O-CB 3.35Å; L114-F118 PolarHBondContact O-N 3.36Å; S115-F118 WeakPolarHBondContact O-CB 3.5Å; S115-F118 PolarHBondContact O-N 3.33Å; F118-W120 VanDerWaalsContact C-N 3.31Å; F118-W120 PolarHBondContact O-N 3.38Å; F118-K121 PolarHBondContact O-N 3.33Å; F118-N122 WeakPolarHBondContact CE1-ND2 3.44Å; F118-N122 WeakPolarHBondContact CE2-ND2 3.27Å; F118-N122 WeakPolarHBondContact CZ-ND2 3.24Å; F118-N122 PolarHBondContact O-N 3.4Å; F118-N122 PolarHBondContact O-ND2 3.21Å; F118-I153 HydrophobicContact CB-CD1 3.88Å; F118-I153 HydrophobicContact CD1-CD1 4.17Å; F118-I153 HydrophobicContact CG-CD1 4.06Å; F118-Q156 HydrophobicContact CD2-CB 4.01Å; F118-Q156 HydrophobicContact CE1-CB 4.46Å; F118-Q156 HydrophobicContact CE2-CB 3.61Å; F118-Q156 WeakPolarHBondContact CE2-O 3.48Å; F118-Q156 HydrophobicContact CZ-CB 3.84Å; F118-Q156 HydrophobicContact CZ-CG 4.44Å; F118-I157 HydrophobicContact CB-CD1 4.27Å; F118-I157 HydrophobicContact CB-CG1 3.74Å; F118-I157 HydrophobicContact CD2-CG1 3.83Å; F118-I157 HydrophobicContact CG-CG1 4.2Å
119	D	86.9	Confident	83.1	Confident	102 Å²	102	54.2 Å²	54.2	55%	0.545	30%	0.301	S	S	.	.	H	α-helix	trans	-59	-44.1	176.6	-67.5	-21.8	0	0	0	111.2	S115 N122 A123	S115-D119 VanDerWaalsContact O-CG 3.29Å; S115-D119 PolarHBondContact O-N 3.47Å; D119-N122 PolarHBondContact O-N 2.82Å; D119-A123 VanDerWaalsContact O-CB 3.3Å; D119-A123 WeakPolarHBondContact O-CB 3.34Å; D119-A123 PolarHBondContact O-N 3.06Å
120	W	86.9	Confident	83.1	Confident	22 Å²	22	60.9 Å²	60.9	8%	0.083	33%	0.329	C	S	.	.	H	α-helix	trans	-62.2	-46.3	175.5	170.6	82.6	0	0	0	112.6	S78 F81 K82 P87 A116 F117 F118 N122 A123 S124 F126	S78-W120 PolarHBondContact O-NE1 3.15Å; S78-W120 PolarHBondContact OG-NE1 3.3Å; F81-W120 HydrophobicContact CB-CD2 3.62Å; F81-W120 VanDerWaalsContact CB-CE2 3.48Å; F81-W120 HydrophobicContact CB-CE3 3.84Å; F81-W120 HydrophobicContact CB-CG 4.26Å; F81-W120 HydrophobicContact CB-CH2 3.86Å; F81-W120 HydrophobicContact CB-CZ2 3.62Å; F81-W120 HydrophobicContact CB-CZ3 3.96Å; F81-W120 HydrophobicContact CD2-CB 3.93Å; F81-W120 AromaticContact CD2-CD2 3.8Å; F81-W120 HydrophobicContact CD2-CD2 3.8Å; F81-W120 HydrophobicContact CD2-CE3 4.12Å; F81-W120 AromaticContact CD2-CG 3.7Å; F81-W120 HydrophobicContact CD2-CG 3.7Å; F81-W120 HydrophobicContact CE2-CB 4.39Å; F81-W120 HydrophobicContact CG-CD2 4.15Å; F81-W120 HydrophobicContact CG-CE3 4.27Å; F81-W120 HydrophobicContact CG-CG 4.47Å; K82-W120 HydrophobicContact CB-CZ2 4.44Å; K82-W120 HydrophobicContact CG-CZ2 3.76Å; P87-W120 HydrophobicContact CB-CH2 4.01Å; P87-W120 HydrophobicContact CB-CZ3 3.98Å; P87-W120 HydrophobicContact CG-CH2 3.92Å; P87-W120 HydrophobicContact CG-CZ3 4.39Å; A116-W120 WeakPolarHBondContact O-CB 3.5Å; A116-W120 PolarHBondContact O-N 3Å; F117-W120 HydrophobicContact CD2-CE3 4.09Å; F117-W120 HydrophobicContact CD2-CZ3 4.44Å; F117-W120 AromaticContact CE2-CE3 3.84Å; F117-W120 HydrophobicContact CE2-CE3 3.84Å; F117-W120 AromaticContact CE2-CZ3 3.74Å; F117-W120 HydrophobicContact CE2-CZ3 3.74Å; F117-W120 HydrophobicContact CZ-CE3 4.34Å; F117-W120 HydrophobicContact CZ-CZ3 4.05Å; F117-W120 PolarHBondContact O-N 3.34Å; F118-W120 VanDerWaalsContact C-N 3.31Å; F118-W120 PolarHBondContact O-N 3.38Å; W120-N122 VanDerWaalsContact C-N 3.27Å; W120-N122 PolarHBondContact O-N 3.3Å; W120-A123 PolarHBondContact O-N 3.48Å; W120-S124 VanDerWaalsContact O-CB 3.23Å; W120-S124 WeakPolarHBondContact O-CB 3.49Å; W120-S124 PolarHBondContact O-N 3.2Å; W120-S124 PolarHBondContact O-OG 2.95Å; W120-S124 VanDerWaalsContact O-OG 3.04Å; W120-F126 HydrophobicContact CH2-CB 4.22Å; W120-F126 HydrophobicContact CH2-CD2 4.41Å; W120-F126 HydrophobicContact CH2-CG 4.22Å; W120-F126 HydrophobicContact CZ3-CB 4.43Å; W120-F126 HydrophobicContact CZ3-CG 4.4Å
121	K	87.1	Confident	83.3	Confident	19 Å²	19	61.5 Å²	61.5	8%	0.083	33%	0.333	C	S	.	.	H	α-helix	trans	-55.9	-46.7	178.5	-179	-175.6	-176.5	-58.8	0	109.9	F117 F118 S124 F126 S127 I157	F117-K121 WeakPolarHBondContact O-CB 3.27Å; F117-K121 PolarHBondContact O-N 3.48Å; F118-K121 PolarHBondContact O-N 3.33Å; K121-S124 PolarHBondContact O-N 3.21Å; K121-S124 PolarHBondContact O-OG 3.29Å; K121-S124 VanDerWaalsContact O-OG 3.11Å; K121-F126 HydrophobicContact CG-CD1 4.21Å; K121-S127 PolarHBondContact NZ-O 3.3Å; K121-S127 WeakPolarHBondContact O-CA 3.42Å; K121-S127 PolarHBondContact O-N 3.41Å; K121-I157 HydrophobicContact CD-CG2 4.47Å
122	N	86.9	Confident	83.5	Confident	79 Å²	79	59.9 Å²	59.9	42%	0.422	33%	0.331	S	S	.	.	H	α-helix	trans	-71.4	-32.3	-178.3	-66.6	-24.5	0	0	0	113.4	F118 D119 W120 S124	F118-N122 WeakPolarHBondContact CE1-ND2 3.44Å; F118-N122 WeakPolarHBondContact CE2-ND2 3.27Å; F118-N122 WeakPolarHBondContact CZ-ND2 3.24Å; F118-N122 PolarHBondContact O-N 3.4Å; F118-N122 PolarHBondContact O-ND2 3.21Å; D119-N122 PolarHBondContact O-N 2.82Å; W120-N122 VanDerWaalsContact C-N 3.27Å; W120-N122 PolarHBondContact O-N 3.3Å; N122-S124 VanDerWaalsContact C-N 3.32Å
123	A	84.4	Confident	84	Confident	93 Å²	93	60 Å²	60	77%	0.769	34%	0.337	S	S	*	.	H	α-helix	trans	-84.5	-3.7	178.5	0	0	0	0	0	114	D119 W120	D119-A123 VanDerWaalsContact O-CB 3.3Å; D119-A123 WeakPolarHBondContact O-CB 3.34Å; D119-A123 PolarHBondContact O-N 3.06Å; W120-A123 PolarHBondContact O-N 3.48Å
124	S	80.7	Confident	84.4	Confident	16 Å²	16	66.7 Å²	66.7	11%	0.112	37%	0.368	C	S	.	.	S	Bend	trans	-111.8	168.2	-176.8	72.1	0	0	0	0	111.7	W120 K121 N122 F126 S127	W120-S124 VanDerWaalsContact O-CB 3.23Å; W120-S124 WeakPolarHBondContact O-CB 3.49Å; W120-S124 PolarHBondContact O-N 3.2Å; W120-S124 PolarHBondContact O-OG 2.95Å; W120-S124 VanDerWaalsContact O-OG 3.04Å; K121-S124 PolarHBondContact O-N 3.21Å; K121-S124 PolarHBondContact O-OG 3.29Å; K121-S124 VanDerWaalsContact O-OG 3.11Å; N122-S124 VanDerWaalsContact C-N 3.32Å; S124-F126 PolarHBondContact O-N 3.34Å; S124-F126 WeakPolarHBondContact OG-CB 3.44Å; S124-F126 PolarHBondContact OG-N 3.18Å; S124-S127 WeakPolarHBondContact O-CB 3.48Å; S124-S127 PolarHBondContact O-N 3Å; S124-S127 VanDerWaalsContact O-N 3.16Å; S124-S127 PolarHBondContact O-OG 2.96Å
125	S	74.9	Confident	84.6	Confident	115 Å²	115	67.8 Å²	67.8	80%	0.804	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-62.6	-7.2	169.7	56.9	0	0	0	0	113.3	S127	S125-S127 PolarHBondContact O-N 3.39Å
126	F	77.9	Confident	85	Confident	41 Å²	41	66.8 Å²	66.8	18%	0.18	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-76.9	-6.2	175.3	-148.5	-88.6	0	0	0	112.7	P87 L88 W120 K121 S124 E128 V129	P87-F126 HydrophobicContact CB-CZ 4.48Å; P87-F126 HydrophobicContact CG-CD2 4.48Å; P87-F126 HydrophobicContact CG-CE2 3.96Å; P87-F126 HydrophobicContact CG-CZ 4.16Å; L88-F126 HydrophobicContact CD1-CE1 3.67Å; L88-F126 HydrophobicContact CD1-CZ 4.23Å; L88-F126 HydrophobicContact CD2-CE1 4.49Å; L88-F126 HydrophobicContact CG-CE1 3.71Å; L88-F126 HydrophobicContact CG-CZ 4.28Å; W120-F126 HydrophobicContact CH2-CB 4.22Å; W120-F126 HydrophobicContact CH2-CD2 4.41Å; W120-F126 HydrophobicContact CH2-CG 4.22Å; W120-F126 HydrophobicContact CZ3-CB 4.43Å; W120-F126 HydrophobicContact CZ3-CG 4.4Å; K121-F126 HydrophobicContact CG-CD1 4.21Å; S124-F126 PolarHBondContact O-N 3.34Å; S124-F126 WeakPolarHBondContact OG-CB 3.44Å; S124-F126 PolarHBondContact OG-N 3.18Å; F126-E128 PolarHBondContact O-N 3.48Å; F126-V129 HydrophobicContact CD1-CB 3.99Å; F126-V129 HydrophobicContact CD1-CG2 4.09Å; F126-V129 HydrophobicContact CD2-CG2 3.86Å; F126-V129 HydrophobicContact CE1-CB 3.84Å; F126-V129 HydrophobicContact CE1-CG1 3.94Å; F126-V129 HydrophobicContact CE1-CG2 4.15Å; F126-V129 HydrophobicContact CE2-CB 4.46Å; F126-V129 HydrophobicContact CE2-CG1 4.48Å; F126-V129 HydrophobicContact CE2-CG2 3.94Å; F126-V129 HydrophobicContact CG-CB 4.36Å; F126-V129 HydrophobicContact CG-CG2 3.94Å; F126-V129 HydrophobicContact CZ-CB 4.1Å; F126-V129 HydrophobicContact CZ-CG1 3.89Å; F126-V129 HydrophobicContact CZ-CG2 4.09Å; F126-V129 PolarHBondContact O-N 3.18Å
127	S	73.6	Confident	85.5	Confident	55 Å²	55	69 Å²	69	39%	0.385	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-58.2	-35.3	176.8	59.6	0	0	0	0	112.3	K121 S124 S125	K121-S127 PolarHBondContact NZ-O 3.3Å; K121-S127 WeakPolarHBondContact O-CA 3.42Å; K121-S127 PolarHBondContact O-N 3.41Å; S124-S127 WeakPolarHBondContact O-CB 3.48Å; S124-S127 PolarHBondContact O-N 3Å; S124-S127 VanDerWaalsContact O-N 3.16Å; S124-S127 PolarHBondContact O-OG 2.96Å; S125-S127 PolarHBondContact O-N 3.39Å
128	E	71.3	Confident	85.8	Confident	177 Å²	177	72.3 Å²	72.3	83%	0.827	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-82.5	-9.4	-178.7	-63	-177.2	179.7	0	0	114.5	F126 E130	F126-E128 PolarHBondContact O-N 3.48Å; E128-E130 PolarHBondContact O-N 3.29Å; E128-E130 VanDerWaalsContact O-N 3.14Å
129	V	78.5	Confident	86	Confident	61 Å²	61	70.3 Å²	70.3	37%	0.37	38%	0.38	S	S	.	.			trans	-70.5	113.9	-179.4	178.7	0	0	0	0	109.4	F126	F126-V129 HydrophobicContact CD1-CB 3.99Å; F126-V129 HydrophobicContact CD1-CG2 4.09Å; F126-V129 HydrophobicContact CD2-CG2 3.86Å; F126-V129 HydrophobicContact CE1-CB 3.84Å; F126-V129 HydrophobicContact CE1-CG1 3.94Å; F126-V129 HydrophobicContact CE1-CG2 4.15Å; F126-V129 HydrophobicContact CE2-CB 4.46Å; F126-V129 HydrophobicContact CE2-CG1 4.48Å; F126-V129 HydrophobicContact CE2-CG2 3.94Å; F126-V129 HydrophobicContact CG-CB 4.36Å; F126-V129 HydrophobicContact CG-CG2 3.94Å; F126-V129 HydrophobicContact CZ-CB 4.1Å; F126-V129 HydrophobicContact CZ-CG1 3.89Å; F126-V129 HydrophobicContact CZ-CG2 4.09Å; F126-V129 PolarHBondContact O-N 3.18Å
130	E	79.8	Confident	86.4	Confident	172 Å²	172	65.6 Å²	65.6	80%	0.804	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-69.9	131.2	175.5	-168.2	170.2	-161.6	0	0	110.4	E128	E128-E130 PolarHBondContact O-N 3.29Å; E128-E130 VanDerWaalsContact O-N 3.14Å
131	V	88.7	Confident	86.7	Confident	15 Å²	15	68.2 Å²	68.2	9%	0.091	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-83.3	119.6	179.9	-176.7	0	0	0	0	108.6	L88 L135 K136 Y158	L88-V131 HydrophobicContact CD1-CG2 3.78Å; V131-L135 HydrophobicContact CG1-CB 3.76Å; V131-L135 HydrophobicContact CG1-CD1 4.41Å; V131-K136 HydrophobicContact CG1-CG 3.93Å; V131-K136 WeakPolarHBondContact O-CE 3.47Å; V131-Y158 HydrophobicContact CG1-CD1 3.68Å; V131-Y158 HydrophobicContact CG1-CG 4.4Å
132	T	91.7	Very high	86.9	Confident	66 Å²	66	67.9 Å²	67.9	41%	0.405	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-62.8	154.8	-179.7	76.7	0	0	0	0	111.8	E134 L135 K136	T132-E134 WeakPolarHBondContact CB-OE2 3.35Å; T132-E134 PolarHBondContact O-N 3.41Å; T132-E134 PolarHBondContact OG1-OE2 3.47Å; T132-L135 PolarHBondContact O-N 3.18Å; T132-L135 VanDerWaalsContact O-N 3.14Å; T132-L135 PolarHBondContact OG1-N 3.45Å; T132-K136 PolarHBondContact O-N 3.46Å; T132-K136 VanDerWaalsContact O-N 3.12Å
133	E	91.6	Very high	87.1	Confident	125 Å²	125	64.1 Å²	64.1	58%	0.584	35%	0.349	S	S	*	.	H	α-helix	trans	-58.4	-36.5	176.8	-67.8	-150.3	133.5	0	0	112.2	L135 K136 V137 L166	E133-L135 VanDerWaalsContact C-N 3.32Å; E133-L135 PolarHBondContact O-N 3.31Å; E133-K136 PolarHBondContact O-N 2.89Å; E133-V137 WeakPolarHBondContact O-CG2 3.44Å; E133-V137 PolarHBondContact O-N 3.47Å; E133-L166 HydrophobicContact CB-CD1 3.82Å; E133-L166 HydrophobicContact CG-CD1 3.95Å
134	E	93.5	Very high	87.4	Confident	144 Å²	144	60 Å²	60	67%	0.673	32%	0.315	S	S	*	.	H	α-helix	trans	-62.8	-39.5	177.3	-56.2	100.9	174.2	0	0	112.2	T132 K136 V137 R138	T132-E134 WeakPolarHBondContact CB-OE2 3.35Å; T132-E134 PolarHBondContact O-N 3.41Å; T132-E134 PolarHBondContact OG1-OE2 3.47Å; E134-K136 VanDerWaalsContact C-N 3.35Å; E134-V137 PolarHBondContact O-N 2.96Å; E134-R138 WeakPolarHBondContact O-CB 3.4Å; E134-R138 PolarHBondContact O-N 3.49Å
135	L	93.4	Very high	87.7	Confident	22 Å²	22	62.6 Å²	62.6	12%	0.115	34%	0.337	C	S	.	.	H	α-helix	trans	-67.4	-36.7	176.6	-78	173.6	0	0	0	111.8	L88 C89 L92 V131 T132 E133 R138 A139	L88-L135 HydrophobicContact CB-CD1 4.17Å; L88-L135 HydrophobicContact CD1-CD1 4.41Å; C89-L135 HydrophobicContact CB-CD2 4.17Å; L92-L135 HydrophobicContact CD1-CD2 4.25Å; V131-L135 HydrophobicContact CG1-CB 3.76Å; V131-L135 HydrophobicContact CG1-CD1 4.41Å; T132-L135 PolarHBondContact O-N 3.18Å; T132-L135 VanDerWaalsContact O-N 3.14Å; T132-L135 PolarHBondContact OG1-N 3.45Å; E133-L135 VanDerWaalsContact C-N 3.32Å; E133-L135 PolarHBondContact O-N 3.31Å; L135-R138 PolarHBondContact O-N 2.95Å; L135-A139 VanDerWaalsContact O-CB 3.28Å; L135-A139 WeakPolarHBondContact O-CB 2.92Å; L135-A139 PolarHBondContact O-N 2.98Å
136	K	95.5	Very high	88.2	Confident	25 Å²	25	59.2 Å²	59.2	11%	0.109	31%	0.308	C	S	.	.	H	α-helix	trans	-64	-45.6	175.1	-65.2	-173.6	-173.8	-172.5	0	111.6	V131 T132 E133 E134 A139 L140 Y158 G159 L160 S162 A163 L166	V131-K136 HydrophobicContact CG1-CG 3.93Å; V131-K136 WeakPolarHBondContact O-CE 3.47Å; T132-K136 PolarHBondContact O-N 3.46Å; T132-K136 VanDerWaalsContact O-N 3.12Å; E133-K136 PolarHBondContact O-N 2.89Å; E134-K136 VanDerWaalsContact C-N 3.35Å; K136-A139 PolarHBondContact O-N 3.22Å; K136-L140 WeakPolarHBondContact O-CG 3.15Å; K136-L140 PolarHBondContact O-N 2.68Å; K136-Y158 WeakPolarHBondContact CE-O 3.32Å; K136-G159 PolarHBondContact NZ-O 3.03Å; K136-L160 HydrophobicContact CB-CD2 3.71Å; K136-L160 HydrophobicContact CG-CD2 4Å; K136-S162 PolarHBondContact NZ-OG 2.94Å; K136-A163 HydrophobicContact CD-CB 3.71Å; K136-L166 HydrophobicContact CB-CD1 4.21Å
137	V	94.3	Very high	88.7	Confident	58 Å²	58	61.2 Å²	61.2	35%	0.352	32%	0.318	S	S	.	.	H	α-helix	trans	-61	-45.9	175.8	173.7	0	0	0	0	110.8	E133 E134 A139 L140 N141 L166	E133-V137 WeakPolarHBondContact O-CG2 3.44Å; E133-V137 PolarHBondContact O-N 3.47Å; E134-V137 PolarHBondContact O-N 2.96Å; V137-A139 VanDerWaalsContact C-N 3.35Å; V137-A139 PolarHBondContact O-N 2.94Å; V137-L140 PolarHBondContact O-N 2.68Å; V137-N141 PolarHBondContact O-N 3.42Å; V137-N141 PolarHBondContact O-ND2 2.75Å; V137-L166 HydrophobicContact CG2-CD1 4.11Å; V137-L166 HydrophobicContact CG2-CD2 3.89Å; V137-L166 HydrophobicContact CG2-CG 4.42Å
138	R	94.7	Very high	89.5	Confident	70 Å²	70	60.6 Å²	60.6	26%	0.264	31%	0.309	S	S	.	.	H	α-helix	trans	-61.2	-44.8	176.9	-170.4	177.5	176.3	-170.2	-1	111.2	C89 L92 E96 E134 L135 L140 N141 V142	C89-R138 PolarHBondContact SG-NH1 3.33Å; L92-R138 HydrophobicContact CD1-CB 3.96Å; L92-R138 HydrophobicContact CD1-CG 3.89Å; E96-R138 IonicContact OE1-CZ 3.58Å; E96-R138 IonicContact OE1-NE 2.86Å; E96-R138 PolarHBondContact OE1-NE 3.37Å; E96-R138 IonicContact OE1-NH2 3.54Å; E96-R138 PolarHBondContact OE1-NH2 2.79Å; E96-R138 IonicContact OE2-CZ 3.53Å; E96-R138 IonicContact OE2-NE 3.61Å; E96-R138 IonicContact OE2-NH2 3.56Å; E96-R138 PolarHBondContact OE2-NH2 3.16Å; E134-R138 WeakPolarHBondContact O-CB 3.4Å; E134-R138 PolarHBondContact O-N 3.49Å; L135-R138 PolarHBondContact O-N 2.95Å; R138-L140 VanDerWaalsContact C-N 3.33Å; R138-L140 PolarHBondContact O-N 3.35Å; R138-N141 PolarHBondContact O-N 3.31Å; R138-V142 HydrophobicContact CG-CG2 4.15Å; R138-V142 WeakPolarHBondContact O-CB 3.24Å; R138-V142 VanDerWaalsContact O-CG2 3.23Å; R138-V142 WeakPolarHBondContact O-CG2 3.33Å; R138-V142 PolarHBondContact O-N 2.69Å
139	A	94.8	Very high	90.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.5	-42	178.1	0	0	0	0	0	112.5	L92 L135 K136 V137 M143 V154 Y158 L160	L92-A139 HydrophobicContact CD1-CB 4.02Å; L92-A139 HydrophobicContact CD2-CB 3.88Å; L135-A139 VanDerWaalsContact O-CB 3.28Å; L135-A139 WeakPolarHBondContact O-CB 2.92Å; L135-A139 PolarHBondContact O-N 2.98Å; K136-A139 PolarHBondContact O-N 3.22Å; V137-A139 VanDerWaalsContact C-N 3.35Å; V137-A139 PolarHBondContact O-N 2.94Å; A139-M143 WeakPolarHBondContact O-CB 3.48Å; A139-M143 WeakPolarHBondContact O-CG 3.44Å; A139-M143 PolarHBondContact O-N 3.23Å; A139-V154 HydrophobicContact CB-CG1 3.93Å; A139-Y158 HydrophobicContact CB-CD1 3.94Å; A139-Y158 HydrophobicContact CB-CD2 4.07Å; A139-Y158 HydrophobicContact CB-CE1 4.33Å; A139-Y158 HydrophobicContact CB-CE2 4.43Å; A139-Y158 HydrophobicContact CB-CG 3.84Å; A139-L160 HydrophobicContact CB-CD2 4.21Å
140	L	94.4	Very high	91	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-47.9	174.6	-77.5	167	0	0	0	112	K136 V137 R138 M143 T144 L151 L160 H170 F190	K136-L140 WeakPolarHBondContact O-CG 3.15Å; K136-L140 PolarHBondContact O-N 2.68Å; V137-L140 PolarHBondContact O-N 2.68Å; R138-L140 VanDerWaalsContact C-N 3.33Å; R138-L140 PolarHBondContact O-N 3.35Å; L140-M143 PolarHBondContact O-N 2.93Å; L140-T144 WeakPolarHBondContact O-CB 3.48Å; L140-T144 WeakPolarHBondContact O-CG2 3.41Å; L140-T144 PolarHBondContact O-N 3.37Å; L140-T144 PolarHBondContact O-OG1 2.95Å; L140-L151 HydrophobicContact CD2-CD1 4.45Å; L140-L160 HydrophobicContact CD2-CD1 3.87Å; L140-L160 HydrophobicContact CG-CD1 4.07Å; L140-L160 HydrophobicContact CG-CD2 4.23Å; L140-H170 HydrophobicContact CD1-CB 4.04Å; L140-F190 HydrophobicContact CD2-CE2 3.66Å; L140-F190 HydrophobicContact CD2-CZ 3.66Å
141	N	92.9	Very high	91.6	Very high	78 Å²	78	43.6 Å²	43.6	42%	0.417	23%	0.232	S	C	.	.	H	α-helix	trans	-60.4	-49.8	178.3	-73	-28.6	0	0	0	111.6	V137 R138 M143 T144 A145 H170	V137-N141 PolarHBondContact O-N 3.42Å; V137-N141 PolarHBondContact O-ND2 2.75Å; R138-N141 PolarHBondContact O-N 3.31Å; N141-M143 PolarHBondContact O-N 2.69Å; N141-T144 PolarHBondContact O-OG1 3.5Å; N141-A145 VanDerWaalsContact O-CB 3.25Å; N141-A145 WeakPolarHBondContact O-CB 3.4Å; N141-A145 PolarHBondContact O-N 3.4Å; N141-H170 PolarHBondContact OD1-CE1 3.36Å; N141-H170 PolarHBondContact OD1-ND1 3.2Å
142	V	91.5	Very high	91.9	Very high	11 Å²	11	45.5 Å²	45.5	7%	0.067	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-44.8	-178.9	177.4	0	0	0	0	110.9	I95 E96 R138 A145 F146	I95-V142 HydrophobicContact CB-CG1 3.84Å; I95-V142 HydrophobicContact CG2-CG1 3.53Å; E96-V142 HydrophobicContact CG-CB 4.45Å; E96-V142 HydrophobicContact CG-CG1 4.01Å; E96-V142 HydrophobicContact CG-CG2 3.51Å; E96-V142 WeakPolarHBondContact OE1-CG2 3.38Å; R138-V142 HydrophobicContact CG-CG2 4.15Å; R138-V142 WeakPolarHBondContact O-CB 3.24Å; R138-V142 VanDerWaalsContact O-CG2 3.23Å; R138-V142 WeakPolarHBondContact O-CG2 3.33Å; R138-V142 PolarHBondContact O-N 2.69Å; V142-A145 PolarHBondContact O-N 2.86Å; V142-F146 WeakPolarHBondContact O-CB 3.47Å; V142-F146 PolarHBondContact O-N 2.94Å
143	M	91.6	Very high	92	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.4	-42.5	-178.9	-77.4	-56	101.1	0	0	113.9	I95 A139 L140 N141 A145 F146 H147 L150 L151 V154	I95-M143 HydrophobicContact CB-CE 4.43Å; I95-M143 HydrophobicContact CD1-CE 3.46Å; I95-M143 VanDerWaalsContact CD1-CE 3.46Å; I95-M143 HydrophobicContact CG1-CE 4.38Å; I95-M143 HydrophobicContact CG2-CE 3.72Å; A139-M143 WeakPolarHBondContact O-CB 3.48Å; A139-M143 WeakPolarHBondContact O-CG 3.44Å; A139-M143 PolarHBondContact O-N 3.23Å; L140-M143 PolarHBondContact O-N 2.93Å; N141-M143 PolarHBondContact O-N 2.69Å; M143-A145 VanDerWaalsContact C-N 3.33Å; M143-F146 PolarHBondContact O-N 3.35Å; M143-H147 CarbonylContact O-C 3.58Å; M143-H147 PolarHBondContact O-N 2.9Å; M143-L150 HydrophobicContact SD-CB 3.56Å; M143-L150 VanDerWaalsContact SD-CB 3.56Å; M143-L150 HydrophobicContact SD-CD1 4.44Å; M143-L151 HydrophobicContact CB-CD1 4.04Å; M143-V154 HydrophobicContact CE-CG2 4.06Å; M143-V154 HydrophobicContact CG-CB 3.65Å; M143-V154 HydrophobicContact CG-CG1 3.61Å; M143-V154 HydrophobicContact CG-CG2 3.56Å; M143-V154 HydrophobicContact SD-CB 4.08Å; M143-V154 HydrophobicContact SD-CG1 4.49Å; M143-V154 HydrophobicContact SD-CG2 3.32Å; M143-V154 WeakPolarHBondContact SD-CG2 3.35Å
144	T	89.3	Confident	92.1	Very high	6 Å²	6	37 Å²	37	4%	0.037	20%	0.2	C	C	.	.	H	α-helix	trans	-67.2	-38.4	177.4	54.7	0	0	0	0	110.4	L140 N141 M148 H170 L174 R179	L140-T144 WeakPolarHBondContact O-CB 3.48Å; L140-T144 WeakPolarHBondContact O-CG2 3.41Å; L140-T144 PolarHBondContact O-N 3.37Å; L140-T144 PolarHBondContact O-OG1 2.95Å; N141-T144 PolarHBondContact O-OG1 3.5Å; T144-M148 HydrophobicContact CG2-SD 3.74Å; T144-H170 VanDerWaalsContact CG2-NE2 3.32Å; T144-H170 WeakPolarHBondContact CG2-NE2 3.4Å; T144-H170 PolarHBondContact OG1-NE2 3.18Å; T144-H170 VanDerWaalsContact OG1-NE2 3.16Å; T144-L174 HydrophobicContact CG2-CD1 4.14Å; T144-R179 PolarHBondContact O-NH2 2.9Å
145	A	87.8	Confident	92.2	Very high	71 Å²	71	30.6 Å²	30.6	59%	0.587	17%	0.171	S	C	*	.	H	α-helix	trans	-66.7	-39.2	173.6	0	0	0	0	0	113.3	N141 V142 M143	N141-A145 VanDerWaalsContact O-CB 3.25Å; N141-A145 WeakPolarHBondContact O-CB 3.4Å; N141-A145 PolarHBondContact O-N 3.4Å; V142-A145 PolarHBondContact O-N 2.86Å; M143-A145 VanDerWaalsContact C-N 3.33Å
146	F	86.1	Confident	92.2	Very high	44 Å²	44	34.4 Å²	34.4	19%	0.193	19%	0.188	C	C	.	.	H	α-helix	trans	-80.4	-70.7	-174.4	-172.6	-99.8	0	0	0	112.8	I95 C98 M110 V142 M143 L150	I95-F146 HydrophobicContact CG2-CB 4.04Å; I95-F146 HydrophobicContact CG2-CD1 4.09Å; I95-F146 HydrophobicContact CG2-CD2 3.86Å; I95-F146 HydrophobicContact CG2-CE2 4.36Å; I95-F146 HydrophobicContact CG2-CG 3.71Å; C98-F146 HydrophobicContact CB-CD2 4.28Å; C98-F146 HydrophobicContact CB-CE2 3.47Å; C98-F146 VanDerWaalsContact CB-CE2 3.47Å; C98-F146 HydrophobicContact CB-CZ 4.23Å; M110-F146 HydrophobicContact CB-CE1 4.5Å; M110-F146 HydrophobicContact CG-CE1 4.38Å; V142-F146 WeakPolarHBondContact O-CB 3.47Å; V142-F146 PolarHBondContact O-N 2.94Å; M143-F146 PolarHBondContact O-N 3.35Å; F146-L150 HydrophobicContact CD1-CD1 3.7Å; F146-L150 HydrophobicContact CE1-CD1 3.62Å
147	H	88	Confident	92.1	Very high	83 Å²	83	33.3 Å²	33.3	38%	0.384	18%	0.183	S	C	.	.			trans	-167	120.4	-180	-160.2	-86.2	0	0	0	112.4	V107 M143 S149 L150	V107-H147 HydrophobicContact CG1-CB 4.35Å; V107-H147 HydrophobicContact CG2-CB 4.32Å; M143-H147 CarbonylContact O-C 3.58Å; M143-H147 PolarHBondContact O-N 2.9Å; H147-S149 PolarHBondContact CE1-OG 3.24Å; H147-S149 VanDerWaalsContact CE1-OG 3.23Å; H147-S149 VanDerWaalsContact ND1-CB 3.35Å; H147-S149 WeakPolarHBondContact ND1-CB 3.42Å; H147-S149 PolarHBondContact ND1-N 3Å; H147-S149 PolarHBondContact ND1-OG 3.06Å; H147-S149 PolarHBondContact O-N 3.39Å; H147-S149 VanDerWaalsContact O-N 3.08Å; H147-L150 PolarHBondContact O-N 3.21Å; H147-L150 VanDerWaalsContact O-N 3.09Å
148	M	90.2	Very high	92.1	Very high	42 Å²	42	30.7 Å²	30.7	21%	0.207	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-59.1	-25.2	-176.3	-74.4	-63	-69.5	0	0	115	T144 L150 L151 D182	T144-M148 HydrophobicContact CG2-SD 3.74Å; M148-L150 PolarHBondContact O-N 3.43Å; M148-L151 HydrophobicContact CE-CD2 3.73Å; M148-L151 VanDerWaalsContact O-CB 3.25Å; M148-L151 WeakPolarHBondContact O-CB 3.45Å; M148-L151 PolarHBondContact O-N 3.08Å; M148-L151 VanDerWaalsContact O-N 3.13Å; M148-L151 HydrophobicContact SD-CD2 4.42Å; M148-D182 WeakPolarHBondContact CE-O 3.29Å; M148-D182 HydrophobicContact CG-CB 4.33Å; M148-D182 VanDerWaalsContact CG-OD1 3.29Å; M148-D182 WeakPolarHBondContact CG-OD1 3.49Å; M148-D182 HydrophobicContact SD-CB 4.08Å
149	S	89.7	Confident	92	Very high	51 Å²	51	28.7 Å²	28.7	36%	0.357	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-66.3	-16.2	178.1	75.3	0	0	0	0	114.2	V107 H147 P152	V107-S149 WeakPolarHBondContact CG1-OG 3.5Å; H147-S149 PolarHBondContact CE1-OG 3.24Å; H147-S149 VanDerWaalsContact CE1-OG 3.23Å; H147-S149 VanDerWaalsContact ND1-CB 3.35Å; H147-S149 WeakPolarHBondContact ND1-CB 3.42Å; H147-S149 PolarHBondContact ND1-N 3Å; H147-S149 PolarHBondContact ND1-OG 3.06Å; H147-S149 PolarHBondContact O-N 3.39Å; H147-S149 VanDerWaalsContact O-N 3.08Å; S149-P152 WeakPolarHBondContact O-CD 3.29Å
150	L	90.9	Very high	92	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-90	-13.4	176.8	-57.3	-169.7	0	0	0	112.6	V107 M110 K111 L114 M143 F146 H147 M148 P152 I153 V154	V107-L150 HydrophobicContact CG1-CD2 3.99Å; V107-L150 HydrophobicContact CG1-CG 4.25Å; M110-L150 HydrophobicContact CB-CD1 4.06Å; M110-L150 HydrophobicContact CG-CD1 3.8Å; K111-L150 HydrophobicContact CB-CD2 3.51Å; K111-L150 HydrophobicContact CD-CD2 4.39Å; K111-L150 HydrophobicContact CG-CD2 3.92Å; L114-L150 HydrophobicContact CD1-CB 4.37Å; L114-L150 HydrophobicContact CD1-CD1 4.08Å; M143-L150 HydrophobicContact SD-CB 3.56Å; M143-L150 VanDerWaalsContact SD-CB 3.56Å; M143-L150 HydrophobicContact SD-CD1 4.44Å; F146-L150 HydrophobicContact CD1-CD1 3.7Å; F146-L150 HydrophobicContact CE1-CD1 3.62Å; H147-L150 PolarHBondContact O-N 3.21Å; H147-L150 VanDerWaalsContact O-N 3.09Å; M148-L150 PolarHBondContact O-N 3.43Å; L150-P152 VanDerWaalsContact C-N 3.29Å; L150-I153 WeakPolarHBondContact O-CG2 3.4Å; L150-I153 PolarHBondContact O-N 3.3Å; L150-I153 VanDerWaalsContact O-N 3.17Å; L150-V154 PolarHBondContact O-N 3.25Å; L150-V154 VanDerWaalsContact O-N 3.1Å
151	L	93.9	Very high	91.9	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-53.2	-38.8	179.6	-170.3	63.7	0	0	0	113.4	L140 M143 M148 I153 V154 D155 L160 R189 F190	L140-L151 HydrophobicContact CD2-CD1 4.45Å; M143-L151 HydrophobicContact CB-CD1 4.04Å; M148-L151 HydrophobicContact CE-CD2 3.73Å; M148-L151 VanDerWaalsContact O-CB 3.25Å; M148-L151 WeakPolarHBondContact O-CB 3.45Å; M148-L151 PolarHBondContact O-N 3.08Å; M148-L151 VanDerWaalsContact O-N 3.13Å; M148-L151 HydrophobicContact SD-CD2 4.42Å; L151-I153 PolarHBondContact O-N 3.23Å; L151-V154 PolarHBondContact O-N 2.75Å; L151-D155 WeakPolarHBondContact O-CB 3.35Å; L151-D155 PolarHBondContact O-N 3.13Å; L151-L160 HydrophobicContact CD1-CD1 4.2Å; L151-R189 HydrophobicContact CD2-CB 4.31Å; L151-R189 HydrophobicContact CD2-CG 4.34Å; L151-R189 HydrophobicContact CG-CG 4.47Å; L151-F190 HydrophobicContact CD1-CZ 4.02Å; L151-F190 HydrophobicContact CD2-CE2 4.36Å; L151-F190 HydrophobicContact CD2-CZ 4.07Å; L151-F190 HydrophobicContact CG-CZ 4.21Å
152	P	94.7	Very high	91.9	Very high	54 Å²	54	33.3 Å²	33.3	35%	0.351	20%	0.197	S	C	.	.	H	α-helix	trans	-61.6	-41.5	178.8	-24.9	35.6	0	0	0	114.2	S149 L150 Q156 R189	S149-P152 WeakPolarHBondContact O-CD 3.29Å; L150-P152 VanDerWaalsContact C-N 3.29Å; P152-Q156 WeakPolarHBondContact O-CG 3.24Å; P152-Q156 PolarHBondContact O-N 3.09Å; P152-R189 PolarHBondContact O-NH2 3.24Å
153	I	94	Very high	92	Very high	14 Å²	14	33.3 Å²	33.3	7%	0.072	20%	0.197	C	C	.	.	H	α-helix	trans	-76.4	-35.3	-179.8	-173.4	59.8	0	0	0	111	L114 F118 L150 L151 Q156 I157	L114-I153 HydrophobicContact CB-CG1 3.88Å; L114-I153 HydrophobicContact CB-CG2 3.86Å; L114-I153 HydrophobicContact CD1-CG2 3.93Å; F118-I153 HydrophobicContact CB-CD1 3.88Å; F118-I153 HydrophobicContact CD1-CD1 4.17Å; F118-I153 HydrophobicContact CG-CD1 4.06Å; L150-I153 WeakPolarHBondContact O-CG2 3.4Å; L150-I153 PolarHBondContact O-N 3.3Å; L150-I153 VanDerWaalsContact O-N 3.17Å; L151-I153 PolarHBondContact O-N 3.23Å; I153-Q156 VanDerWaalsContact CD1-OE1 3.28Å; I153-Q156 WeakPolarHBondContact O-CB 3.32Å; I153-Q156 PolarHBondContact O-N 3.1Å; I153-I157 HydrophobicContact CG1-CD1 4.19Å; I153-I157 WeakPolarHBondContact O-CG1 3.5Å; I153-I157 PolarHBondContact O-N 3.17Å
154	V	94	Very high	92.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-69.1	-38.6	175.6	175.3	0	0	0	0	111.6	L114 A139 M143 L150 L151 Q156 I157 Y158 L160	L114-V154 HydrophobicContact CD1-CG2 3.92Å; L114-V154 HydrophobicContact CD2-CG2 4.49Å; A139-V154 HydrophobicContact CB-CG1 3.93Å; M143-V154 HydrophobicContact CE-CG2 4.06Å; M143-V154 HydrophobicContact CG-CB 3.65Å; M143-V154 HydrophobicContact CG-CG1 3.61Å; M143-V154 HydrophobicContact CG-CG2 3.56Å; M143-V154 HydrophobicContact SD-CB 4.08Å; M143-V154 HydrophobicContact SD-CG1 4.49Å; M143-V154 HydrophobicContact SD-CG2 3.32Å; M143-V154 WeakPolarHBondContact SD-CG2 3.35Å; L150-V154 PolarHBondContact O-N 3.25Å; L150-V154 VanDerWaalsContact O-N 3.1Å; L151-V154 PolarHBondContact O-N 2.75Å; V154-Q156 PolarHBondContact O-N 2.9Å; V154-I157 PolarHBondContact O-N 3.12Å; V154-I157 VanDerWaalsContact O-N 3.12Å; V154-Y158 HydrophobicContact CG1-CD2 3.53Å; V154-Y158 HydrophobicContact CG1-CE2 3.95Å; V154-Y158 HydrophobicContact CG1-CG 4.43Å; V154-Y158 WeakPolarHBondContact O-CD2 3.14Å; V154-Y158 PolarHBondContact O-N 3.14Å; V154-L160 HydrophobicContact CG1-CD1 4.12Å
155	D	94.8	Very high	92.5	Very high	9 Å²	9	43.4 Å²	43.4	5%	0.048	24%	0.243	C	C	.	.	H	α-helix	trans	-55.3	-41.4	171.1	172.3	42.2	0	0	0	111.9	L151 G159 L160 K161 R189 F190	L151-D155 WeakPolarHBondContact O-CB 3.35Å; L151-D155 PolarHBondContact O-N 3.13Å; D155-G159 WeakPolarHBondContact O-CA 3.49Å; D155-G159 PolarHBondContact O-N 3.31Å; D155-L160 HydrophobicContact CB-CB 4.36Å; D155-L160 HydrophobicContact CB-CD1 4.47Å; D155-L160 PolarHBondContact O-N 3.35Å; D155-L160 WeakPolarHBondContact OD1-CB 3.42Å; D155-L160 PolarHBondContact OD1-N 2.86Å; D155-K161 WeakPolarHBondContact OD1-CB 3.4Å; D155-K161 PolarHBondContact OD1-N 3.16Å; D155-R189 IonicContact OD2-CZ 2.84Å; D155-R189 VanDerWaalsContact OD2-CZ 3.22Å; D155-R189 IonicContact OD2-NE 2.69Å; D155-R189 PolarHBondContact OD2-NE 2.91Å; D155-R189 IonicContact OD2-NH2 3.19Å; D155-R189 PolarHBondContact OD2-NH2 2.84Å; D155-F190 HydrophobicContact CB-CE1 4.18Å
156	Q	93.5	Very high	92.9	Very high	101 Å²	101	41.6 Å²	41.6	47%	0.472	22%	0.223	S	C	.	.	H	α-helix	trans	-66.3	-39.6	175.3	-70.9	176.1	-26.6	0	0	113.2	F118 P152 I153 V154	F118-Q156 HydrophobicContact CD2-CB 4.01Å; F118-Q156 HydrophobicContact CE1-CB 4.46Å; F118-Q156 HydrophobicContact CE2-CB 3.61Å; F118-Q156 WeakPolarHBondContact CE2-O 3.48Å; F118-Q156 HydrophobicContact CZ-CB 3.84Å; F118-Q156 HydrophobicContact CZ-CG 4.44Å; P152-Q156 WeakPolarHBondContact O-CG 3.24Å; P152-Q156 PolarHBondContact O-N 3.09Å; I153-Q156 VanDerWaalsContact CD1-OE1 3.28Å; I153-Q156 WeakPolarHBondContact O-CB 3.32Å; I153-Q156 PolarHBondContact O-N 3.1Å; V154-Q156 PolarHBondContact O-N 2.9Å
157	I	93.4	Very high	93.4	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-70.3	-44.1	-179.2	-66	161.4	0	0	0	111.6	L88 L114 F117 F118 K121 I153 V154	L88-I157 HydrophobicContact CD2-CG2 3.87Å; L114-I157 HydrophobicContact CB-CD1 4.1Å; L114-I157 HydrophobicContact CD2-CD1 3.97Å; F117-I157 HydrophobicContact CD1-CD1 4.06Å; F117-I157 HydrophobicContact CD1-CG1 4.31Å; F117-I157 HydrophobicContact CD1-CG2 3.9Å; F117-I157 HydrophobicContact CE1-CG2 3.66Å; F118-I157 HydrophobicContact CB-CD1 4.27Å; F118-I157 HydrophobicContact CB-CG1 3.74Å; F118-I157 HydrophobicContact CD2-CG1 3.83Å; F118-I157 HydrophobicContact CG-CG1 4.2Å; K121-I157 HydrophobicContact CD-CG2 4.47Å; I153-I157 HydrophobicContact CG1-CD1 4.19Å; I153-I157 WeakPolarHBondContact O-CG1 3.5Å; I153-I157 PolarHBondContact O-N 3.17Å; V154-I157 PolarHBondContact O-N 3.12Å; V154-I157 VanDerWaalsContact O-N 3.12Å
158	Y	94.2	Very high	93.8	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-100.3	-7.9	-170.9	-66.8	-96.8	0	0	0	113.6	L88 L92 V131 K136 A139 V154	L88-Y158 HydrophobicContact CB-CE1 4.06Å; L88-Y158 HydrophobicContact CD2-CD1 4.42Å; L88-Y158 HydrophobicContact CD2-CE1 3.95Å; L88-Y158 PolarHBondContact O-OH 2.96Å; L92-Y158 HydrophobicContact CD1-CE1 3.86Å; L92-Y158 HydrophobicContact CD2-CE1 4.21Å; L92-Y158 HydrophobicContact CD2-CE2 3.98Å; L92-Y158 WeakPolarHBondContact CD2-OH 3.29Å; L92-Y158 HydrophobicContact CG-CE1 4.01Å; L92-Y158 WeakPolarHBondContact CG-OH 3.35Å; V131-Y158 HydrophobicContact CG1-CD1 3.68Å; V131-Y158 HydrophobicContact CG1-CG 4.4Å; K136-Y158 WeakPolarHBondContact CE-O 3.32Å; A139-Y158 HydrophobicContact CB-CD1 3.94Å; A139-Y158 HydrophobicContact CB-CD2 4.07Å; A139-Y158 HydrophobicContact CB-CE1 4.33Å; A139-Y158 HydrophobicContact CB-CE2 4.43Å; A139-Y158 HydrophobicContact CB-CG 3.84Å; V154-Y158 HydrophobicContact CG1-CD2 3.53Å; V154-Y158 HydrophobicContact CG1-CE2 3.95Å; V154-Y158 HydrophobicContact CG1-CG 4.43Å; V154-Y158 WeakPolarHBondContact O-CD2 3.14Å; V154-Y158 PolarHBondContact O-N 3.14Å
159	G	92.4	Very high	94.2	Very high	29 Å²	29	36.2 Å²	36.2	30%	0.299	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	53.5	-175.7	0	0	0	0	0	111.3	K136 D155 S162	K136-G159 PolarHBondContact NZ-O 3.03Å; D155-G159 WeakPolarHBondContact O-CA 3.49Å; D155-G159 PolarHBondContact O-N 3.31Å; G159-S162 PolarHBondContact O-OG 3.35Å
160	L	94.6	Very high	94.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.193	C	C	.	.			trans	-73.1	-41.8	-174.3	-60.3	179.6	0	0	0	111.3	K136 A139 L140 L151 V154 D155 S162 A163 C167 F190	K136-L160 HydrophobicContact CB-CD2 3.71Å; K136-L160 HydrophobicContact CG-CD2 4Å; A139-L160 HydrophobicContact CB-CD2 4.21Å; L140-L160 HydrophobicContact CD2-CD1 3.87Å; L140-L160 HydrophobicContact CG-CD1 4.07Å; L140-L160 HydrophobicContact CG-CD2 4.23Å; L151-L160 HydrophobicContact CD1-CD1 4.2Å; V154-L160 HydrophobicContact CG1-CD1 4.12Å; D155-L160 HydrophobicContact CB-CB 4.36Å; D155-L160 HydrophobicContact CB-CD1 4.47Å; D155-L160 PolarHBondContact O-N 3.35Å; D155-L160 WeakPolarHBondContact OD1-CB 3.42Å; D155-L160 PolarHBondContact OD1-N 2.86Å; L160-S162 PolarHBondContact O-N 3.4Å; L160-S162 VanDerWaalsContact O-N 3.1Å; L160-A163 PolarHBondContact O-N 3.3Å; L160-C167 PolarHBondContact O-SG 3.24Å; L160-F190 HydrophobicContact CB-CE1 3.81Å; L160-F190 HydrophobicContact CB-CZ 4Å; L160-F190 HydrophobicContact CD1-CZ 4.3Å
161	K	93.5	Very high	94.8	Very high	84 Å²	84	34.4 Å²	34.4	37%	0.365	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-29.9	179.6	-172.1	174.9	178.6	-170.1	0	113.2	D155 A163 F190 E191	D155-K161 WeakPolarHBondContact OD1-CB 3.4Å; D155-K161 PolarHBondContact OD1-N 3.16Å; K161-A163 VanDerWaalsContact C-N 3.33Å; K161-F190 HydrophobicContact CB-CD1 4.01Å; K161-F190 HydrophobicContact CG-CD1 4.42Å; K161-E191 WeakPolarHBondContact CE-OE2 3.32Å; K161-E191 IonicContact NZ-OE1 3.34Å; K161-E191 PolarHBondContact NZ-OE1 2.88Å; K161-E191 IonicContact NZ-OE2 2.71Å; K161-E191 PolarHBondContact NZ-OE2 3.45Å
162	S	91.9	Very high	95	Very high	93 Å²	93	40.9 Å²	40.9	65%	0.65	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-20.4	177.8	63.6	0	0	0	0	113.7	K136 G159 L160 K164	K136-S162 PolarHBondContact NZ-OG 2.94Å; G159-S162 PolarHBondContact O-OG 3.35Å; L160-S162 PolarHBondContact O-N 3.4Å; L160-S162 VanDerWaalsContact O-N 3.1Å; S162-K164 PolarHBondContact O-N 3.5Å
163	A	94.1	Very high	95.1	Very high	10 Å²	10	41.4 Å²	41.4	8%	0.083	22%	0.219	C	C	.	.			trans	-92.8	66.9	178.9	0	0	0	0	0	111.5	K136 L160 K161 E165 L166 C167	K136-A163 HydrophobicContact CD-CB 3.71Å; L160-A163 PolarHBondContact O-N 3.3Å; K161-A163 VanDerWaalsContact C-N 3.33Å; A163-E165 PolarHBondContact O-N 3.25Å; A163-L166 HydrophobicContact CB-CB 4.17Å; A163-L166 HydrophobicContact CB-CD1 3.89Å; A163-L166 HydrophobicContact CB-CG 4.25Å; A163-L166 PolarHBondContact O-N 3.45Å; A163-C167 PolarHBondContact O-N 3.29Å
164	K	95.1	Very high	95.1	Very high	88 Å²	88	40.9 Å²	40.9	38%	0.383	22%	0.217	S	C	.	.	H	α-helix	trans	-49.1	-53.5	-173.7	-177.3	176.8	-177.6	-173.5	0	113.1	S162 L166 C167 I168 L192 E195	S162-K164 PolarHBondContact O-N 3.5Å; K164-L166 PolarHBondContact O-N 3.4Å; K164-C167 WeakPolarHBondContact O-CB 3.41Å; K164-C167 PolarHBondContact O-N 2.86Å; K164-I168 HydrophobicContact CD-CD1 4.46Å; K164-I168 HydrophobicContact CG-CD1 3.89Å; K164-I168 HydrophobicContact CG-CG1 4.49Å; K164-I168 WeakPolarHBondContact O-CG1 3.36Å; K164-I168 PolarHBondContact O-N 3.24Å; K164-L192 HydrophobicContact CD-CD2 4.23Å; K164-L192 HydrophobicContact CG-CD2 3.78Å; K164-E195 VanDerWaalsContact CE-CD 3.5Å; K164-E195 VanDerWaalsContact CE-OE1 3.3Å; K164-E195 WeakPolarHBondContact CE-OE1 3.28Å; K164-E195 VanDerWaalsContact NZ-CD 3.31Å; K164-E195 IonicContact NZ-OE1 3.55Å; K164-E195 PolarHBondContact NZ-OE1 2.89Å; K164-E195 IonicContact NZ-OE2 3.91Å
165	E	96.1	Very high	95.2	Very high	131 Å²	131	42.4 Å²	42.4	61%	0.612	22%	0.224	S	C	*	.	H	α-helix	trans	-64.6	-38.6	-175.1	-62.7	-53.6	136.2	0	0	112.8	A163 I168 A169	A163-E165 PolarHBondContact O-N 3.25Å; E165-I168 PolarHBondContact O-N 2.88Å; E165-A169 WeakPolarHBondContact O-CB 3.19Å; E165-A169 PolarHBondContact O-N 3.47Å
166	L	95.4	Very high	95.1	Very high	33 Å²	33	49.8 Å²	49.8	17%	0.173	26%	0.256	C	S	.	.	H	α-helix	trans	-64.5	-42.7	175.2	-63	-179.5	0	0	0	111.1	E133 K136 V137 A163 K164 A169 H170	E133-L166 HydrophobicContact CB-CD1 3.82Å; E133-L166 HydrophobicContact CG-CD1 3.95Å; K136-L166 HydrophobicContact CB-CD1 4.21Å; V137-L166 HydrophobicContact CG2-CD1 4.11Å; V137-L166 HydrophobicContact CG2-CD2 3.89Å; V137-L166 HydrophobicContact CG2-CG 4.42Å; A163-L166 HydrophobicContact CB-CB 4.17Å; A163-L166 HydrophobicContact CB-CD1 3.89Å; A163-L166 HydrophobicContact CB-CG 4.25Å; A163-L166 PolarHBondContact O-N 3.45Å; K164-L166 PolarHBondContact O-N 3.4Å; L166-A169 PolarHBondContact O-N 3.06Å; L166-H170 WeakPolarHBondContact O-CB 3.23Å; L166-H170 PolarHBondContact O-N 2.89Å
167	C	96.7	Very high	95.1	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.007	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-42.8	176.8	-72.6	0	0	0	0	111.7	L160 A163 K164 H170 I171 F190 L192	L160-C167 PolarHBondContact O-SG 3.24Å; A163-C167 PolarHBondContact O-N 3.29Å; K164-C167 WeakPolarHBondContact O-CB 3.41Å; K164-C167 PolarHBondContact O-N 2.86Å; C167-H170 PolarHBondContact O-N 3.44Å; C167-I171 WeakPolarHBondContact O-CD1 3.31Å; C167-I171 VanDerWaalsContact O-CG1 3.24Å; C167-I171 WeakPolarHBondContact O-CG1 3.44Å; C167-I171 PolarHBondContact O-N 2.85Å; C167-F190 HydrophobicContact CB-CD2 3.87Å; C167-F190 HydrophobicContact CB-CE2 4.33Å; C167-F190 HydrophobicContact CB-CG 4.38Å; C167-L192 HydrophobicContact CB-CD1 3.62Å
168	I	97.5	Very high	95	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-46.9	175	-67.7	172	0	0	0	110.6	K164 E165 H170 I171 R172 L192 E195 F196	K164-I168 HydrophobicContact CD-CD1 4.46Å; K164-I168 HydrophobicContact CG-CD1 3.89Å; K164-I168 HydrophobicContact CG-CG1 4.49Å; K164-I168 WeakPolarHBondContact O-CG1 3.36Å; K164-I168 PolarHBondContact O-N 3.24Å; E165-I168 PolarHBondContact O-N 2.88Å; I168-H170 VanDerWaalsContact C-N 3.31Å; I168-H170 PolarHBondContact O-N 3.3Å; I168-I171 PolarHBondContact O-N 2.96Å; I168-R172 WeakPolarHBondContact O-CG 3Å; I168-R172 PolarHBondContact O-N 2.97Å; I168-L192 HydrophobicContact CG1-CD1 3.98Å; I168-E195 HydrophobicContact CD1-CB 4.23Å; I168-E195 HydrophobicContact CD1-CG 3.96Å; I168-E195 HydrophobicContact CG1-CB 4.48Å; I168-E195 HydrophobicContact CG1-CG 4.46Å; I168-F196 HydrophobicContact CG2-CZ 4.11Å
169	A	97.1	Very high	95	Very high	50 Å²	50	55.5 Å²	55.5	41%	0.413	29%	0.285	S	S	.	.	H	α-helix	trans	-59.7	-43	178.1	0	0	0	0	0	111.7	E165 L166 R172 T173	E165-A169 WeakPolarHBondContact O-CB 3.19Å; E165-A169 PolarHBondContact O-N 3.47Å; L166-A169 PolarHBondContact O-N 3.06Å; A169-R172 PolarHBondContact O-N 3.11Å; A169-T173 PolarHBondContact O-N 3.2Å; A169-T173 VanDerWaalsContact O-N 3.1Å; A169-T173 PolarHBondContact O-OG1 3.38Å
170	H	97	Very high	95.1	Very high	13 Å²	13	55.4 Å²	55.4	6%	0.06	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-46.9	176.3	-170.3	65.3	0	0	0	112.4	L140 N141 T144 L166 C167 I168 R172 T173 L174	L140-H170 HydrophobicContact CD1-CB 4.04Å; N141-H170 PolarHBondContact OD1-CE1 3.36Å; N141-H170 PolarHBondContact OD1-ND1 3.2Å; T144-H170 VanDerWaalsContact CG2-NE2 3.32Å; T144-H170 WeakPolarHBondContact CG2-NE2 3.4Å; T144-H170 PolarHBondContact OG1-NE2 3.18Å; T144-H170 VanDerWaalsContact OG1-NE2 3.16Å; L166-H170 WeakPolarHBondContact O-CB 3.23Å; L166-H170 PolarHBondContact O-N 2.89Å; C167-H170 PolarHBondContact O-N 3.44Å; I168-H170 VanDerWaalsContact C-N 3.31Å; I168-H170 PolarHBondContact O-N 3.3Å; H170-R172 VanDerWaalsContact C-N 3.29Å; H170-R172 PolarHBondContact O-N 3.04Å; H170-T173 WeakPolarHBondContact O-CB 3.27Å; H170-T173 PolarHBondContact O-N 3.22Å; H170-L174 WeakPolarHBondContact O-CG 3.39Å; H170-L174 PolarHBondContact O-N 3.49Å
171	I	97.5	Very high	95.1	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-60.6	-40.6	177.4	-67.2	162.3	0	0	0	110.7	C167 I168 T173 L174 I175 A183 C186 A187 L192 F196 I201	C167-I171 WeakPolarHBondContact O-CD1 3.31Å; C167-I171 VanDerWaalsContact O-CG1 3.24Å; C167-I171 WeakPolarHBondContact O-CG1 3.44Å; C167-I171 PolarHBondContact O-N 2.85Å; I168-I171 PolarHBondContact O-N 2.96Å; I171-T173 VanDerWaalsContact C-N 3.29Å; I171-T173 PolarHBondContact O-N 3.04Å; I171-L174 WeakPolarHBondContact O-CB 3.2Å; I171-L174 PolarHBondContact O-N 2.68Å; I171-I175 HydrophobicContact CG2-CD1 4.04Å; I171-I175 WeakPolarHBondContact O-CG1 3.41Å; I171-I175 PolarHBondContact O-N 3.38Å; I171-A183 HydrophobicContact CG2-CB 4.06Å; I171-C186 HydrophobicContact CD1-CB 4.03Å; I171-C186 HydrophobicContact CG1-CB 3.68Å; I171-A187 HydrophobicContact CD1-CB 4.08Å; I171-L192 HydrophobicContact CD1-CD1 4.11Å; I171-F196 HydrophobicContact CB-CE1 4.33Å; I171-F196 HydrophobicContact CB-CE2 4.16Å; I171-F196 HydrophobicContact CB-CZ 3.62Å; I171-F196 HydrophobicContact CD1-CE2 3.96Å; I171-F196 HydrophobicContact CD1-CZ 4.22Å; I171-F196 HydrophobicContact CG2-CD1 4.47Å; I171-F196 HydrophobicContact CG2-CD2 4.41Å; I171-F196 HydrophobicContact CG2-CE1 3.73Å; I171-F196 HydrophobicContact CG2-CE2 3.69Å; I171-F196 HydrophobicContact CG2-CZ 3.3Å; I171-I201 HydrophobicContact CG2-CD1 3.89Å
172	R	97.5	Very high	95.1	Very high	139 Å²	139	55.2 Å²	55.2	53%	0.525	28%	0.281	S	S	.	.	H	α-helix	trans	-61	-36.7	174.4	-72.9	178.1	178	150.2	2.7	112.5	I168 A169 H170 I175 K176 F196	I168-R172 WeakPolarHBondContact O-CG 3Å; I168-R172 PolarHBondContact O-N 2.97Å; A169-R172 PolarHBondContact O-N 3.11Å; H170-R172 VanDerWaalsContact C-N 3.29Å; H170-R172 PolarHBondContact O-N 3.04Å; R172-I175 PolarHBondContact O-N 3.41Å; R172-K176 WeakPolarHBondContact O-CG 3.24Å; R172-K176 PolarHBondContact O-N 3.16Å; R172-K176 VanDerWaalsContact O-N 3.12Å; R172-F196 HydrophobicContact CG-CE1 3.88Å
173	T	96.4	Very high	95.4	Very high	65 Å²	65	50.8 Å²	50.8	40%	0.399	25%	0.251	S	S	.	.	H	α-helix	trans	-64.8	-46.9	173.5	-58	0	0	0	0	110.9	A169 H170 I171 I175 K176 D177	A169-T173 PolarHBondContact O-N 3.2Å; A169-T173 VanDerWaalsContact O-N 3.1Å; A169-T173 PolarHBondContact O-OG1 3.38Å; H170-T173 WeakPolarHBondContact O-CB 3.27Å; H170-T173 PolarHBondContact O-N 3.22Å; I171-T173 VanDerWaalsContact C-N 3.29Å; I171-T173 PolarHBondContact O-N 3.04Å; T173-I175 VanDerWaalsContact C-N 3.29Å; T173-I175 PolarHBondContact O-N 3.43Å; T173-K176 WeakPolarHBondContact O-CB 3.22Å; T173-K176 PolarHBondContact O-N 2.91Å; T173-K176 VanDerWaalsContact O-N 3.1Å; T173-D177 PolarHBondContact O-N 3.48Å
174	L	95.6	Very high	95.5	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-58.2	-40.3	176.5	-64.9	172.4	0	0	0	112.4	T144 H170 I171 D177 N178 R179 D182 A183	T144-L174 HydrophobicContact CG2-CD1 4.14Å; H170-L174 WeakPolarHBondContact O-CG 3.39Å; H170-L174 PolarHBondContact O-N 3.49Å; I171-L174 WeakPolarHBondContact O-CB 3.2Å; I171-L174 PolarHBondContact O-N 2.68Å; L174-D177 CarbonylContact O-C 3.58Å; L174-D177 PolarHBondContact O-N 3.11Å; L174-N178 PolarHBondContact O-N 2.98Å; L174-R179 HydrophobicContact CB-CB 4.19Å; L174-R179 HydrophobicContact CD2-CB 4.14Å; L174-R179 WeakPolarHBondContact O-CA 3.46Å; L174-R179 WeakPolarHBondContact O-CB 3.46Å; L174-R179 PolarHBondContact O-N 3.27Å; L174-D182 HydrophobicContact CD1-CB 4.15Å; L174-D182 HydrophobicContact CD2-CB 4.4Å; L174-A183 HydrophobicContact CB-CB 3.97Å; L174-A183 HydrophobicContact CD1-CB 4.49Å
175	I	95	Very high	95.5	Very high	31 Å²	31	47.2 Å²	47.2	16%	0.159	24%	0.24	C	C	.	.	H	α-helix	trans	-61.5	-47.1	175.4	-67.9	164.4	0	0	0	110.8	I171 R172 T173 D177 N178 Y180 A183 F196 D200 I201	I171-I175 HydrophobicContact CG2-CD1 4.04Å; I171-I175 WeakPolarHBondContact O-CG1 3.41Å; I171-I175 PolarHBondContact O-N 3.38Å; R172-I175 PolarHBondContact O-N 3.41Å; T173-I175 VanDerWaalsContact C-N 3.29Å; T173-I175 PolarHBondContact O-N 3.43Å; I175-D177 PolarHBondContact O-N 2.99Å; I175-N178 PolarHBondContact O-N 3.2Å; I175-Y180 HydrophobicContact CG2-CE1 4.03Å; I175-A183 HydrophobicContact CG1-CB 4.03Å; I175-F196 HydrophobicContact CD1-CD1 3.91Å; I175-F196 HydrophobicContact CD1-CE1 3.93Å; I175-D200 HydrophobicContact CD1-CB 4.45Å; I175-I201 HydrophobicContact CD1-CD1 4.07Å; I175-I201 HydrophobicContact CD1-CG1 3.75Å; I175-I201 HydrophobicContact CG1-CG1 4.12Å
176	K	93.9	Very high	95.5	Very high	165 Å²	165	41 Å²	41	72%	0.717	21%	0.21	S	C	*	.	H	α-helix	trans	-59	-35.1	176.8	-72.9	174.1	-179.3	179	0	112.1	R172 T173 N178	R172-K176 WeakPolarHBondContact O-CG 3.24Å; R172-K176 PolarHBondContact O-N 3.16Å; R172-K176 VanDerWaalsContact O-N 3.12Å; T173-K176 WeakPolarHBondContact O-CB 3.22Å; T173-K176 PolarHBondContact O-N 2.91Å; T173-K176 VanDerWaalsContact O-N 3.1Å; K176-N178 PolarHBondContact O-N 3.45Å
177	D	92.4	Very high	95.6	Very high	96 Å²	96	39.4 Å²	39.4	51%	0.513	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	4.3	179.1	-64.3	-20	0	0	0	113.6	T173 L174 I175 R179	T173-D177 PolarHBondContact O-N 3.48Å; L174-D177 CarbonylContact O-C 3.58Å; L174-D177 PolarHBondContact O-N 3.11Å; I175-D177 PolarHBondContact O-N 2.99Å; D177-R179 VanDerWaalsContact C-N 3.26Å; D177-R179 HydrophobicContact CB-CG 4.07Å; D177-R179 PolarHBondContact O-N 2.97Å
178	N	92.3	Very high	95.5	Very high	57 Å²	57	42.5 Å²	42.5	31%	0.305	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	25.1	-175.5	-51.2	-90.3	0	0	0	114.3	L174 I175 K176 Y180 P251	L174-N178 PolarHBondContact O-N 2.98Å; I175-N178 PolarHBondContact O-N 3.2Å; K176-N178 PolarHBondContact O-N 3.45Å; N178-Y180 VanDerWaalsContact CA-CE2 3.45Å; N178-Y180 HydrophobicContact CB-CD2 4.46Å; N178-Y180 HydrophobicContact CB-CE2 3.86Å; N178-Y180 WeakPolarHBondContact O-CD2 3.48Å; N178-Y180 PolarHBondContact O-N 3.22Å; N178-P251 HydrophobicContact CB-CB 4.36Å
179	R	92.9	Very high	95.4	Very high	73 Å²	73	46.6 Å²	46.6	28%	0.275	23%	0.233	S	C	.	.			trans	-94.1	57.8	-179.6	-62.3	-176.7	61.9	178.6	5.1	112	T144 L174 D177 C181 D182 A183	T144-R179 PolarHBondContact O-NH2 2.9Å; L174-R179 HydrophobicContact CB-CB 4.19Å; L174-R179 HydrophobicContact CD2-CB 4.14Å; L174-R179 WeakPolarHBondContact O-CA 3.46Å; L174-R179 WeakPolarHBondContact O-CB 3.46Å; L174-R179 PolarHBondContact O-N 3.27Å; D177-R179 VanDerWaalsContact C-N 3.26Å; D177-R179 HydrophobicContact CB-CG 4.07Å; D177-R179 PolarHBondContact O-N 2.97Å; R179-C181 PolarHBondContact O-N 3.02Å; R179-D182 HydrophobicContact CB-CB 4.38Å; R179-D182 IonicContact CZ-OD2 3.94Å; R179-D182 IonicContact NE-OD2 2.66Å; R179-D182 PolarHBondContact NE-OD2 3.22Å; R179-D182 IonicContact NH2-OD2 3.69Å; R179-D182 PolarHBondContact NH2-OD2 2.95Å; R179-D182 PolarHBondContact O-N 2.71Å; R179-A183 WeakPolarHBondContact O-CB 3.44Å; R179-A183 PolarHBondContact O-N 3.45Å
180	Y	94.7	Very high	95.3	Very high	27 Å²	27	44.5 Å²	44.5	11%	0.106	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-33.8	-171.6	-62.1	-83.8	0	0	0	114.6	I175 N178 D182 A183 A184 D200 P204 L208 P251	I175-Y180 HydrophobicContact CG2-CE1 4.03Å; N178-Y180 VanDerWaalsContact CA-CE2 3.45Å; N178-Y180 HydrophobicContact CB-CD2 4.46Å; N178-Y180 HydrophobicContact CB-CE2 3.86Å; N178-Y180 WeakPolarHBondContact O-CD2 3.48Å; N178-Y180 PolarHBondContact O-N 3.22Å; Y180-D182 VanDerWaalsContact C-N 3.34Å; Y180-A183 PolarHBondContact O-N 3.23Å; Y180-A184 WeakPolarHBondContact O-CB 3.49Å; Y180-A184 PolarHBondContact O-N 3.33Å; Y180-D200 WeakPolarHBondContact CE1-O 3.41Å; Y180-P204 HydrophobicContact CD1-CB 3.35Å; Y180-P204 HydrophobicContact CD1-CG 3.78Å; Y180-P204 HydrophobicContact CD2-CB 4.04Å; Y180-P204 HydrophobicContact CE1-CB 3.4Å; Y180-P204 VanDerWaalsContact CE1-CB 3.4Å; Y180-P204 HydrophobicContact CE1-CG 3.45Å; Y180-P204 VanDerWaalsContact CE1-CG 3.45Å; Y180-P204 HydrophobicContact CE2-CB 4.11Å; Y180-P204 HydrophobicContact CG-CB 3.67Å; Y180-L208 HydrophobicContact CD2-CD1 3.89Å; Y180-L208 HydrophobicContact CG-CD1 4.48Å; Y180-P251 HydrophobicContact CD2-CB 4.4Å; Y180-P251 HydrophobicContact CD2-CG 3.72Å; Y180-P251 HydrophobicContact CE2-CB 3.65Å; Y180-P251 HydrophobicContact CE2-CG 3.07Å
181	C	94.2	Very high	95.2	Very high	44 Å²	44	50.4 Å²	50.4	30%	0.297	24%	0.243	S	C	.	.	H	α-helix	trans	-64.3	-42	176.3	-61.2	0	0	0	0	111.5	R179 A184 G185 L213	R179-C181 PolarHBondContact O-N 3.02Å; C181-A184 PolarHBondContact O-N 3.1Å; C181-G185 PolarHBondContact O-N 3.24Å; C181-L213 HydrophobicContact CB-CD2 3.99Å
182	D	94.6	Very high	95.1	Very high	36 Å²	36	50.9 Å²	50.9	19%	0.193	25%	0.245	C	C	.	.	H	α-helix	trans	-71.2	-42.6	179.4	-53.9	-37.4	0	0	0	110.3	M148 L174 R179 Y180 A184 G185 C186	M148-D182 WeakPolarHBondContact CE-O 3.29Å; M148-D182 HydrophobicContact CG-CB 4.33Å; M148-D182 VanDerWaalsContact CG-OD1 3.29Å; M148-D182 WeakPolarHBondContact CG-OD1 3.49Å; M148-D182 HydrophobicContact SD-CB 4.08Å; L174-D182 HydrophobicContact CD1-CB 4.15Å; L174-D182 HydrophobicContact CD2-CB 4.4Å; R179-D182 HydrophobicContact CB-CB 4.38Å; R179-D182 IonicContact CZ-OD2 3.94Å; R179-D182 IonicContact NE-OD2 2.66Å; R179-D182 PolarHBondContact NE-OD2 3.22Å; R179-D182 IonicContact NH2-OD2 3.69Å; R179-D182 PolarHBondContact NH2-OD2 2.95Å; R179-D182 PolarHBondContact O-N 2.71Å; Y180-D182 VanDerWaalsContact C-N 3.34Å; D182-A184 VanDerWaalsContact C-N 3.32Å; D182-A184 PolarHBondContact O-N 3.43Å; D182-G185 PolarHBondContact O-N 3.09Å; D182-C186 PolarHBondContact O-N 3.2Å
183	A	96.7	Very high	95	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-54.7	-47.5	173.4	0	0	0	0	0	111.6	I171 L174 I175 R179 Y180 C186 A187 I201	I171-A183 HydrophobicContact CG2-CB 4.06Å; L174-A183 HydrophobicContact CB-CB 3.97Å; L174-A183 HydrophobicContact CD1-CB 4.49Å; I175-A183 HydrophobicContact CG1-CB 4.03Å; R179-A183 WeakPolarHBondContact O-CB 3.44Å; R179-A183 PolarHBondContact O-N 3.45Å; Y180-A183 PolarHBondContact O-N 3.23Å; A183-C186 PolarHBondContact O-N 3.1Å; A183-A187 WeakPolarHBondContact O-CB 3.22Å; A183-A187 PolarHBondContact O-N 3.32Å; A183-I201 HydrophobicContact CB-CD1 4.28Å
184	A	96.8	Very high	94.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.2	-40.9	176.7	0	0	0	0	0	112.7	Y180 C181 D182 A187 L188 I201 L205 L213 Y217	Y180-A184 WeakPolarHBondContact O-CB 3.49Å; Y180-A184 PolarHBondContact O-N 3.33Å; C181-A184 PolarHBondContact O-N 3.1Å; D182-A184 VanDerWaalsContact C-N 3.32Å; D182-A184 PolarHBondContact O-N 3.43Å; A184-A187 PolarHBondContact O-N 2.96Å; A184-L188 WeakPolarHBondContact O-CB 2.99Å; A184-L188 WeakPolarHBondContact O-CG 3.49Å; A184-L188 PolarHBondContact O-N 3.15Å; A184-I201 HydrophobicContact CB-CG2 3.7Å; A184-L205 HydrophobicContact CB-CD1 3.71Å; A184-L213 HydrophobicContact CB-CD1 4.4Å; A184-L213 HydrophobicContact CB-CD2 4.11Å; A184-L213 HydrophobicContact CB-CG 4.14Å; A184-Y217 HydrophobicContact CB-CD2 3.98Å
185	G	95.4	Very high	94.8	Very high	23 Å²	23	49.7 Å²	49.7	24%	0.237	25%	0.252	C	S	.	.	H	α-helix	trans	-61.1	-43.2	175.9	0	0	0	0	0	112.4	C181 D182 R189	C181-G185 PolarHBondContact O-N 3.24Å; D182-G185 PolarHBondContact O-N 3.09Å; G185-R189 WeakPolarHBondContact O-CB 3.37Å; G185-R189 PolarHBondContact O-N 2.95Å
186	C	96.3	Very high	94.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-49.8	173	-74	0	0	0	0	111.6	I171 D182 A183 L188 R189 F190	I171-C186 HydrophobicContact CD1-CB 4.03Å; I171-C186 HydrophobicContact CG1-CB 3.68Å; D182-C186 PolarHBondContact O-N 3.2Å; A183-C186 PolarHBondContact O-N 3.1Å; C186-L188 VanDerWaalsContact C-N 3.33Å; C186-L188 PolarHBondContact O-N 3.32Å; C186-R189 PolarHBondContact O-N 3.44Å; C186-F190 HydrophobicContact CB-CD2 4.1Å; C186-F190 HydrophobicContact CB-CE2 3.94Å; C186-F190 WeakPolarHBondContact O-CB 3.44Å; C186-F190 WeakPolarHBondContact O-CD2 3.16Å; C186-F190 WeakPolarHBondContact O-CG 3.35Å; C186-F190 PolarHBondContact O-N 3.25Å
187	A	96.5	Very high	94.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.2	-43.1	-179.2	0	0	0	0	0	112.4	I171 A183 A184 E191 L192 I201 Y217	I171-A187 HydrophobicContact CD1-CB 4.08Å; A183-A187 WeakPolarHBondContact O-CB 3.22Å; A183-A187 PolarHBondContact O-N 3.32Å; A184-A187 PolarHBondContact O-N 2.96Å; A187-E191 PolarHBondContact O-N 3.31Å; A187-L192 PolarHBondContact O-N 3.03Å; A187-I201 HydrophobicContact CB-CD1 4.37Å; A187-Y217 HydrophobicContact CB-CD2 4.39Å; A187-Y217 HydrophobicContact CB-CE2 3.66Å
188	L	95.4	Very high	95	Very high	66 Å²	66	41.1 Å²	41.1	35%	0.346	21%	0.213	S	C	.	.	H	α-helix	trans	-62.6	-47.6	174.2	-80.7	167.6	0	0	0	111.7	A184 C186 F190 E191 L213	A184-L188 WeakPolarHBondContact O-CB 2.99Å; A184-L188 WeakPolarHBondContact O-CG 3.49Å; A184-L188 PolarHBondContact O-N 3.15Å; C186-L188 VanDerWaalsContact C-N 3.33Å; C186-L188 PolarHBondContact O-N 3.32Å; L188-F190 VanDerWaalsContact C-N 3.3Å; L188-F190 PolarHBondContact O-N 3.26Å; L188-E191 PolarHBondContact O-N 3.17Å; L188-L213 HydrophobicContact CD1-CD1 4Å
189	R	94.3	Very high	95.1	Very high	89 Å²	89	40 Å²	40	34%	0.336	21%	0.208	S	C	.	.	H	α-helix	trans	-63	-39.6	-177.9	176.3	56.9	-171	174.9	-0.1	112.3	L151 P152 D155 G185 C186	L151-R189 HydrophobicContact CD2-CB 4.31Å; L151-R189 HydrophobicContact CD2-CG 4.34Å; L151-R189 HydrophobicContact CG-CG 4.47Å; P152-R189 PolarHBondContact O-NH2 3.24Å; D155-R189 IonicContact OD2-CZ 2.84Å; D155-R189 VanDerWaalsContact OD2-CZ 3.22Å; D155-R189 IonicContact OD2-NE 2.69Å; D155-R189 PolarHBondContact OD2-NE 2.91Å; D155-R189 IonicContact OD2-NH2 3.19Å; D155-R189 PolarHBondContact OD2-NH2 2.84Å; G185-R189 WeakPolarHBondContact O-CB 3.37Å; G185-R189 PolarHBondContact O-N 2.95Å; C186-R189 PolarHBondContact O-N 3.44Å
190	F	95.3	Very high	95.2	Very high	7 Å²	7	39.2 Å²	39.2	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-92.7	2	-175.7	-55.2	-44.4	0	0	0	113.4	L140 L151 D155 L160 K161 C167 C186 L188 L192	L140-F190 HydrophobicContact CD2-CE2 3.66Å; L140-F190 HydrophobicContact CD2-CZ 3.66Å; L151-F190 HydrophobicContact CD1-CZ 4.02Å; L151-F190 HydrophobicContact CD2-CE2 4.36Å; L151-F190 HydrophobicContact CD2-CZ 4.07Å; L151-F190 HydrophobicContact CG-CZ 4.21Å; D155-F190 HydrophobicContact CB-CE1 4.18Å; L160-F190 HydrophobicContact CB-CE1 3.81Å; L160-F190 HydrophobicContact CB-CZ 4Å; L160-F190 HydrophobicContact CD1-CZ 4.3Å; K161-F190 HydrophobicContact CB-CD1 4.01Å; K161-F190 HydrophobicContact CG-CD1 4.42Å; C167-F190 HydrophobicContact CB-CD2 3.87Å; C167-F190 HydrophobicContact CB-CE2 4.33Å; C167-F190 HydrophobicContact CB-CG 4.38Å; C186-F190 HydrophobicContact CB-CD2 4.1Å; C186-F190 HydrophobicContact CB-CE2 3.94Å; C186-F190 WeakPolarHBondContact O-CB 3.44Å; C186-F190 WeakPolarHBondContact O-CD2 3.16Å; C186-F190 WeakPolarHBondContact O-CG 3.35Å; C186-F190 PolarHBondContact O-N 3.25Å; L188-F190 VanDerWaalsContact C-N 3.3Å; L188-F190 PolarHBondContact O-N 3.26Å; F190-L192 VanDerWaalsContact C-N 3.31Å; F190-L192 HydrophobicContact CB-CD1 3.71Å; F190-L192 HydrophobicContact CB-CG 3.83Å; F190-L192 PolarHBondContact O-N 3.1Å
191	E	95.4	Very high	95.3	Very high	137 Å²	137	37.9 Å²	37.9	64%	0.64	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	42.6	-177.6	-65.8	162.5	-158.6	0	0	112.4	K161 A187 L188	K161-E191 WeakPolarHBondContact CE-OE2 3.32Å; K161-E191 IonicContact NZ-OE1 3.34Å; K161-E191 PolarHBondContact NZ-OE1 2.88Å; K161-E191 IonicContact NZ-OE2 2.71Å; K161-E191 PolarHBondContact NZ-OE2 3.45Å; A187-E191 PolarHBondContact O-N 3.31Å; L188-E191 PolarHBondContact O-N 3.17Å
192	L	95.7	Very high	95.4	Very high	11 Å²	11	35.8 Å²	35.8	6%	0.058	19%	0.19	C	C	.	.			trans	-110.7	14	-177.4	-59.3	175.2	0	0	0	113.2	K164 C167 I168 I171 A187 F190 S194 E195 F196	K164-L192 HydrophobicContact CD-CD2 4.23Å; K164-L192 HydrophobicContact CG-CD2 3.78Å; C167-L192 HydrophobicContact CB-CD1 3.62Å; I168-L192 HydrophobicContact CG1-CD1 3.98Å; I171-L192 HydrophobicContact CD1-CD1 4.11Å; A187-L192 PolarHBondContact O-N 3.03Å; F190-L192 VanDerWaalsContact C-N 3.31Å; F190-L192 HydrophobicContact CB-CD1 3.71Å; F190-L192 HydrophobicContact CB-CG 3.83Å; F190-L192 PolarHBondContact O-N 3.1Å; L192-S194 PolarHBondContact O-N 3.24Å; L192-E195 HydrophobicContact CB-CG 4.17Å; L192-E195 HydrophobicContact CD2-CG 4.04Å; L192-E195 WeakPolarHBondContact O-CB 3.43Å; L192-E195 PolarHBondContact O-N 3.49Å; L192-F196 WeakPolarHBondContact O-CD2 3.48Å
193	C	94.5	Very high	95.5	Very high	21 Å²	21	34.1 Å²	34.1	14%	0.142	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-58.9	-30.4	-179.1	-60	0	0	0	0	113.1	E195 F196 Y217 Q224	C193-E195 VanDerWaalsContact C-N 3.28Å; C193-E195 PolarHBondContact O-N 2.93Å; C193-F196 VanDerWaalsContact O-O 3.12Å; C193-Y217 WeakPolarHBondContact CA-OH 3.22Å; C193-Y217 HydrophobicContact CB-CE1 4.21Å; C193-Y217 HydrophobicContact CB-CE2 4.04Å; C193-Y217 PolarHBondContact O-OH 3.23Å; C193-Q224 PolarHBondContact O-NE2 2.93Å
194	S	93.3	Very high	95.4	Very high	82 Å²	82	34.3 Å²	34.3	57%	0.573	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-74.4	-13.6	177.7	56.3	0	0	0	0	114.3	L192 F196	L192-S194 PolarHBondContact O-N 3.24Å; S194-F196 VanDerWaalsContact C-N 3.29Å
195	E	95.4	Very high	95.4	Very high	79 Å²	79	34.3 Å²	34.3	37%	0.369	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-82.9	-9.5	-179.2	-57.6	-64.8	146.1	0	0	112.9	K164 I168 L192 C193	K164-E195 VanDerWaalsContact CE-CD 3.5Å; K164-E195 VanDerWaalsContact CE-OE1 3.3Å; K164-E195 WeakPolarHBondContact CE-OE1 3.28Å; K164-E195 VanDerWaalsContact NZ-CD 3.31Å; K164-E195 IonicContact NZ-OE1 3.55Å; K164-E195 PolarHBondContact NZ-OE1 2.89Å; K164-E195 IonicContact NZ-OE2 3.91Å; I168-E195 HydrophobicContact CD1-CB 4.23Å; I168-E195 HydrophobicContact CD1-CG 3.96Å; I168-E195 HydrophobicContact CG1-CB 4.48Å; I168-E195 HydrophobicContact CG1-CG 4.46Å; L192-E195 HydrophobicContact CB-CG 4.17Å; L192-E195 HydrophobicContact CD2-CG 4.04Å; L192-E195 WeakPolarHBondContact O-CB 3.43Å; L192-E195 PolarHBondContact O-N 3.49Å; C193-E195 VanDerWaalsContact C-N 3.28Å; C193-E195 PolarHBondContact O-N 2.93Å
196	F	95.8	Very high	95.4	Very high	7 Å²	7	33.2 Å²	33.2	3%	0.031	17%	0.171	C	C	.	.	S	Bend	trans	-123.3	142	178.9	-57.3	-88.2	0	0	0	108.4	I168 I171 R172 I175 L192 C193 S194 D200 I201 Q224	I168-F196 HydrophobicContact CG2-CZ 4.11Å; I171-F196 HydrophobicContact CB-CE1 4.33Å; I171-F196 HydrophobicContact CB-CE2 4.16Å; I171-F196 HydrophobicContact CB-CZ 3.62Å; I171-F196 HydrophobicContact CD1-CE2 3.96Å; I171-F196 HydrophobicContact CD1-CZ 4.22Å; I171-F196 HydrophobicContact CG2-CD1 4.47Å; I171-F196 HydrophobicContact CG2-CD2 4.41Å; I171-F196 HydrophobicContact CG2-CE1 3.73Å; I171-F196 HydrophobicContact CG2-CE2 3.69Å; I171-F196 HydrophobicContact CG2-CZ 3.3Å; R172-F196 HydrophobicContact CG-CE1 3.88Å; I175-F196 HydrophobicContact CD1-CD1 3.91Å; I175-F196 HydrophobicContact CD1-CE1 3.93Å; L192-F196 WeakPolarHBondContact O-CD2 3.48Å; C193-F196 VanDerWaalsContact O-O 3.12Å; S194-F196 VanDerWaalsContact C-N 3.29Å; F196-D200 HydrophobicContact CB-CB 4.06Å; F196-D200 HydrophobicContact CD1-CB 4.43Å; F196-I201 HydrophobicContact CB-CD1 4.2Å; F196-I201 HydrophobicContact CD1-CD1 4.33Å; F196-I201 HydrophobicContact CD2-CD1 4.09Å; F196-I201 HydrophobicContact CG-CD1 3.94Å; F196-Q224 PolarHBondContact O-NE2 3.35Å; F196-Q224 PolarHBondContact O-OE1 3.45Å
197	N	94.7	Very high	95.3	Very high	70 Å²	70	33.2 Å²	33.2	37%	0.374	17%	0.171	S	C	.	.			trans	-76	168.4	175	65.8	57.1	0	0	0	110.5	V199 D200	N197-V199 PolarHBondContact O-N 3.03Å; N197-V199 VanDerWaalsContact OD1-CA 3.28Å; N197-V199 WeakPolarHBondContact OD1-CA 3.48Å; N197-V199 VanDerWaalsContact OD1-CB 3.22Å; N197-V199 WeakPolarHBondContact OD1-CB 3.37Å; N197-V199 VanDerWaalsContact OD1-CG2 3.29Å; N197-V199 WeakPolarHBondContact OD1-CG2 3.43Å; N197-V199 PolarHBondContact OD1-N 2.92Å; N197-D200 VanDerWaalsContact CG-CG 3.4Å; N197-D200 VanDerWaalsContact CG-OD2 3.22Å; N197-D200 PolarHBondContact N-OD2 2.93Å; N197-D200 VanDerWaalsContact ND2-CG 3.27Å; N197-D200 PolarHBondContact ND2-OD1 2.9Å; N197-D200 VanDerWaalsContact ND2-OD1 3.1Å; N197-D200 PolarHBondContact ND2-OD2 2.94Å; N197-D200 PolarHBondContact O-N 3.18Å; N197-D200 VanDerWaalsContact O-N 3.15Å; N197-D200 PolarHBondContact OD1-N 3.27Å; N197-D200 PolarHBondContact OD1-OD1 3.1Å; N197-D200 PolarHBondContact OD1-OD2 3.23Å
198	E	93.9	Very high	95.2	Very high	34 Å²	34	33.4 Å²	33.4	16%	0.159	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.8	-177.8	66.5	-81.5	-173.6	0	0	114	A202 L203 Q224 N227 L228	E198-A202 WeakPolarHBondContact O-CB 3.47Å; E198-A202 PolarHBondContact O-N 3.31Å; E198-L203 PolarHBondContact O-N 3.19Å; E198-Q224 HydrophobicContact CB-CB 4.27Å; E198-N227 HydrophobicContact CG-CB 4.32Å; E198-N227 WeakPolarHBondContact OE1-CB 3.21Å; E198-L228 HydrophobicContact CB-CB 4.05Å; E198-L228 HydrophobicContact CG-CB 4.09Å
199	V	95.6	Very high	95.1	Very high	34 Å²	34	32.9 Å²	32.9	21%	0.206	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-23.6	-177.6	-141.7	0	0	0	0	112.2	N197 L203 P204 L231 Y249	N197-V199 PolarHBondContact O-N 3.03Å; N197-V199 VanDerWaalsContact OD1-CA 3.28Å; N197-V199 WeakPolarHBondContact OD1-CA 3.48Å; N197-V199 VanDerWaalsContact OD1-CB 3.22Å; N197-V199 WeakPolarHBondContact OD1-CB 3.37Å; N197-V199 VanDerWaalsContact OD1-CG2 3.29Å; N197-V199 WeakPolarHBondContact OD1-CG2 3.43Å; N197-V199 PolarHBondContact OD1-N 2.92Å; V199-L203 HydrophobicContact CG1-CB 4.38Å; V199-L203 HydrophobicContact CG1-CD2 3.6Å; V199-P204 WeakPolarHBondContact O-CD 3.34Å; V199-L231 HydrophobicContact CG1-CD2 4.33Å; V199-L231 HydrophobicContact CG2-CD2 4.43Å; V199-Y249 HydrophobicContact CG1-CD1 3.53Å; V199-Y249 HydrophobicContact CG1-CE1 3.32Å; V199-Y249 HydrophobicContact CG1-CG 4.47Å
200	D	94.8	Very high	95.1	Very high	56 Å²	56	31.3 Å²	31.3	30%	0.299	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-41.7	-176.2	-65.6	-28.4	0	0	0	112.1	I175 Y180 F196 N197	I175-D200 HydrophobicContact CD1-CB 4.45Å; Y180-D200 WeakPolarHBondContact CE1-O 3.41Å; F196-D200 HydrophobicContact CB-CB 4.06Å; F196-D200 HydrophobicContact CD1-CB 4.43Å; N197-D200 VanDerWaalsContact CG-CG 3.4Å; N197-D200 VanDerWaalsContact CG-OD2 3.22Å; N197-D200 PolarHBondContact N-OD2 2.93Å; N197-D200 VanDerWaalsContact ND2-CG 3.27Å; N197-D200 PolarHBondContact ND2-OD1 2.9Å; N197-D200 VanDerWaalsContact ND2-OD1 3.1Å; N197-D200 PolarHBondContact ND2-OD2 2.94Å; N197-D200 PolarHBondContact O-N 3.18Å; N197-D200 VanDerWaalsContact O-N 3.15Å; N197-D200 PolarHBondContact OD1-N 3.27Å; N197-D200 PolarHBondContact OD1-OD1 3.1Å; N197-D200 PolarHBondContact OD1-OD2 3.23Å
201	I	96	Very high	95	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126	-53.9	-174.2	-59.2	179.2	0	0	0	111.5	I171 I175 A183 A184 A187 F196 P204 L205 Y217	I171-I201 HydrophobicContact CG2-CD1 3.89Å; I175-I201 HydrophobicContact CD1-CD1 4.07Å; I175-I201 HydrophobicContact CD1-CG1 3.75Å; I175-I201 HydrophobicContact CG1-CG1 4.12Å; A183-I201 HydrophobicContact CB-CD1 4.28Å; A184-I201 HydrophobicContact CB-CG2 3.7Å; A187-I201 HydrophobicContact CB-CD1 4.37Å; F196-I201 HydrophobicContact CB-CD1 4.2Å; F196-I201 HydrophobicContact CD1-CD1 4.33Å; F196-I201 HydrophobicContact CD2-CD1 4.09Å; F196-I201 HydrophobicContact CG-CD1 3.94Å; I201-P204 WeakPolarHBondContact O-CD 3.38Å; I201-L205 HydrophobicContact CG2-CD1 4.04Å; I201-L205 HydrophobicContact CG2-CG 4.42Å; I201-L205 WeakPolarHBondContact O-CG 3.32Å; I201-L205 PolarHBondContact O-N 3.43Å; I201-L205 VanDerWaalsContact O-N 3.1Å; I201-Y217 HydrophobicContact CB-CE2 4.19Å; I201-Y217 HydrophobicContact CD1-CE2 3.91Å; I201-Y217 HydrophobicContact CG2-CD2 4.13Å; I201-Y217 HydrophobicContact CG2-CE2 3.94Å
202	A	96.7	Very high	95	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.8	-45.9	-169.1	0	0	0	0	0	112.7	E198 L205 V206 Y217 L218 L228	E198-A202 WeakPolarHBondContact O-CB 3.47Å; E198-A202 PolarHBondContact O-N 3.31Å; A202-L205 WeakPolarHBondContact O-CB 3.33Å; A202-L205 PolarHBondContact O-N 2.79Å; A202-V206 WeakPolarHBondContact O-CG2 3.06Å; A202-V206 PolarHBondContact O-N 3.21Å; A202-Y217 HydrophobicContact CB-CD1 3.95Å; A202-Y217 HydrophobicContact CB-CE1 4.33Å; A202-L218 HydrophobicContact CB-CD1 3.84Å; A202-L218 HydrophobicContact CB-CD2 3.98Å; A202-L218 HydrophobicContact CB-CG 3.95Å; A202-L228 HydrophobicContact CB-CD2 3.99Å
203	L	96.5	Very high	95	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.6	-50.1	176.6	176.7	62	0	0	0	112.4	E198 V199 L205 V206 L207 L228 L231 I232 F245 Y249	E198-L203 PolarHBondContact O-N 3.19Å; V199-L203 HydrophobicContact CG1-CB 4.38Å; V199-L203 HydrophobicContact CG1-CD2 3.6Å; L203-L205 VanDerWaalsContact C-N 3.29Å; L203-L205 PolarHBondContact O-N 2.83Å; L203-V206 WeakPolarHBondContact O-CB 3.39Å; L203-V206 PolarHBondContact O-N 3.4Å; L203-V206 VanDerWaalsContact O-N 3.1Å; L203-L207 HydrophobicContact CD1-CD1 3.99Å; L203-L207 HydrophobicContact CD1-CD2 4.32Å; L203-L207 HydrophobicContact CD1-CG 3.91Å; L203-L207 HydrophobicContact CG-CD1 3.95Å; L203-L207 HydrophobicContact CG-CG 4.28Å; L203-L207 WeakPolarHBondContact O-CG 3.36Å; L203-L207 PolarHBondContact O-N 2.89Å; L203-L228 HydrophobicContact CB-CD1 3.67Å; L203-L228 HydrophobicContact CD1-CD1 3.93Å; L203-L228 HydrophobicContact CG-CD1 4.31Å; L203-L231 HydrophobicContact CD2-CD2 4.07Å; L203-I232 HydrophobicContact CD1-CD1 4.22Å; L203-I232 HydrophobicContact CD1-CG1 4.11Å; L203-F245 HydrophobicContact CD1-CE1 4.18Å; L203-F245 HydrophobicContact CD1-CZ 3.59Å; L203-F245 HydrophobicContact CD2-CE2 3.91Å; L203-F245 HydrophobicContact CD2-CZ 3.77Å; L203-F245 HydrophobicContact CG-CZ 4.32Å; L203-Y249 HydrophobicContact CD2-CD1 3.85Å; L203-Y249 HydrophobicContact CD2-CD2 4Å; L203-Y249 HydrophobicContact CD2-CG 3.56Å
204	P	95.6	Very high	95.1	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-52.5	-43.6	172.9	-31.2	35	0	0	0	113.8	Y180 V199 I201 V206 L207 L208 P251	Y180-P204 HydrophobicContact CD1-CB 3.35Å; Y180-P204 HydrophobicContact CD1-CG 3.78Å; Y180-P204 HydrophobicContact CD2-CB 4.04Å; Y180-P204 HydrophobicContact CE1-CB 3.4Å; Y180-P204 VanDerWaalsContact CE1-CB 3.4Å; Y180-P204 HydrophobicContact CE1-CG 3.45Å; Y180-P204 VanDerWaalsContact CE1-CG 3.45Å; Y180-P204 HydrophobicContact CE2-CB 4.11Å; Y180-P204 HydrophobicContact CG-CB 3.67Å; V199-P204 WeakPolarHBondContact O-CD 3.34Å; I201-P204 WeakPolarHBondContact O-CD 3.38Å; P204-V206 PolarHBondContact O-N 3.34Å; P204-L207 CarbonylContact O-C 3.51Å; P204-L207 PolarHBondContact O-N 3.49Å; P204-L208 WeakPolarHBondContact O-CB 3.45Å; P204-L208 VanDerWaalsContact O-CG 3.24Å; P204-L208 WeakPolarHBondContact O-CG 3.39Å; P204-L208 PolarHBondContact O-N 3.06Å; P204-P251 HydrophobicContact CB-CG 4.08Å
205	L	95.7	Very high	95.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58.7	-46	175.5	-72.6	176.2	0	0	0	111.9	A184 I201 A202 L203 L207 L208 H209 E210 L213 A214	A184-L205 HydrophobicContact CB-CD1 3.71Å; I201-L205 HydrophobicContact CG2-CD1 4.04Å; I201-L205 HydrophobicContact CG2-CG 4.42Å; I201-L205 WeakPolarHBondContact O-CG 3.32Å; I201-L205 PolarHBondContact O-N 3.43Å; I201-L205 VanDerWaalsContact O-N 3.1Å; A202-L205 WeakPolarHBondContact O-CB 3.33Å; A202-L205 PolarHBondContact O-N 2.79Å; L203-L205 VanDerWaalsContact C-N 3.29Å; L203-L205 PolarHBondContact O-N 2.83Å; L205-L207 PolarHBondContact O-N 3.25Å; L205-L208 CarbonylContact O-C 3.59Å; L205-L208 PolarHBondContact O-N 3.26Å; L205-H209 PolarHBondContact O-N 3.31Å; L205-E210 HydrophobicContact CB-CB 4.15Å; L205-E210 HydrophobicContact CD2-CB 3.88Å; L205-E210 HydrophobicContact CD2-CG 4.34Å; L205-E210 WeakPolarHBondContact O-CA 3.34Å; L205-E210 WeakPolarHBondContact O-CB 3.49Å; L205-E210 PolarHBondContact O-N 2.93Å; L205-L213 HydrophobicContact CD1-CB 4.42Å; L205-L213 HydrophobicContact CD1-CD2 4.23Å; L205-L213 HydrophobicContact CD1-CG 3.94Å; L205-L213 HydrophobicContact CD2-CD2 4Å; L205-A214 HydrophobicContact CB-CB 3.84Å; L205-A214 HydrophobicContact CD1-CB 4.33Å
206	V	96.1	Very high	95.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-57.7	-49.2	175.7	175.7	0	0	0	0	110.7	A202 L203 P204 L208 H209 A214 L228 I232 F259 F267	A202-V206 WeakPolarHBondContact O-CG2 3.06Å; A202-V206 PolarHBondContact O-N 3.21Å; L203-V206 WeakPolarHBondContact O-CB 3.39Å; L203-V206 PolarHBondContact O-N 3.4Å; L203-V206 VanDerWaalsContact O-N 3.1Å; P204-V206 PolarHBondContact O-N 3.34Å; V206-L208 PolarHBondContact O-N 3.32Å; V206-H209 WeakPolarHBondContact O-CA 3.25Å; V206-H209 PolarHBondContact O-N 3.39Å; V206-A214 HydrophobicContact CG2-CB 3.67Å; V206-L228 HydrophobicContact CG2-CD2 4.27Å; V206-I232 HydrophobicContact CG1-CD1 4.19Å; V206-F259 HydrophobicContact CG1-CE1 4.47Å; V206-F259 HydrophobicContact CG1-CE2 4.22Å; V206-F259 HydrophobicContact CG1-CZ 3.71Å; V206-F259 WeakPolarHBondContact O-CD2 2.97Å; V206-F259 WeakPolarHBondContact O-CE2 3.43Å; V206-F267 HydrophobicContact CG1-CB 4.26Å; V206-F267 HydrophobicContact CG1-CD1 3.86Å; V206-F267 HydrophobicContact CG1-CD2 4.05Å; V206-F267 HydrophobicContact CG1-CE1 4.21Å; V206-F267 HydrophobicContact CG1-CE2 4.39Å; V206-F267 HydrophobicContact CG1-CG 3.76Å; V206-F267 HydrophobicContact CG1-CZ 4.47Å; V206-F267 HydrophobicContact CG2-CD1 4.23Å; V206-F267 HydrophobicContact CG2-CD2 3.92Å; V206-F267 HydrophobicContact CG2-CE1 3.79Å; V206-F267 HydrophobicContact CG2-CE2 3.43Å; V206-F267 VanDerWaalsContact CG2-CE2 3.43Å; V206-F267 HydrophobicContact CG2-CG 4.29Å; V206-F267 HydrophobicContact CG2-CZ 3.36Å
207	L	95.1	Very high	95.2	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-68.4	-18	-179.1	-62.1	179.3	0	0	0	113.6	L203 P204 L205 F245 V246 R250 F259	L203-L207 HydrophobicContact CD1-CD1 3.99Å; L203-L207 HydrophobicContact CD1-CD2 4.32Å; L203-L207 HydrophobicContact CD1-CG 3.91Å; L203-L207 HydrophobicContact CG-CD1 3.95Å; L203-L207 HydrophobicContact CG-CG 4.28Å; L203-L207 WeakPolarHBondContact O-CG 3.36Å; L203-L207 PolarHBondContact O-N 2.89Å; P204-L207 CarbonylContact O-C 3.51Å; P204-L207 PolarHBondContact O-N 3.49Å; L205-L207 PolarHBondContact O-N 3.25Å; L207-F245 HydrophobicContact CD2-CE1 4.36Å; L207-V246 HydrophobicContact CD2-CG2 4.29Å; L207-R250 HydrophobicContact CB-CB 4.24Å; L207-R250 HydrophobicContact CB-CG 4.07Å; L207-R250 HydrophobicContact CD1-CB 4.07Å; L207-R250 PolarHBondContact O-NE 2.86Å; L207-F259 HydrophobicContact CD2-CB 4.41Å; L207-F259 HydrophobicContact CD2-CD1 3.49Å; L207-F259 VanDerWaalsContact CD2-CD1 3.49Å; L207-F259 HydrophobicContact CD2-CE1 3.8Å; L207-F259 HydrophobicContact CD2-CG 3.92Å; L207-F259 HydrophobicContact CD2-CZ 4.48Å
208	L	93.5	Very high	95.3	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	1.5	170.5	-69.5	174.9	0	0	0	112.9	Y180 P204 L205 V206 E210 P251 R256	Y180-L208 HydrophobicContact CD2-CD1 3.89Å; Y180-L208 HydrophobicContact CG-CD1 4.48Å; P204-L208 WeakPolarHBondContact O-CB 3.45Å; P204-L208 VanDerWaalsContact O-CG 3.24Å; P204-L208 WeakPolarHBondContact O-CG 3.39Å; P204-L208 PolarHBondContact O-N 3.06Å; L205-L208 CarbonylContact O-C 3.59Å; L205-L208 PolarHBondContact O-N 3.26Å; V206-L208 PolarHBondContact O-N 3.32Å; L208-E210 VanDerWaalsContact C-N 3.28Å; L208-E210 HydrophobicContact CB-CG 4.37Å; L208-P251 HydrophobicContact CD1-CG 4.17Å; L208-P251 HydrophobicContact CD2-CG 4.44Å; L208-P251 HydrophobicContact CG-CG 4.32Å; L208-R256 WeakPolarHBondContact O-CD 3.37Å; L208-R256 PolarHBondContact O-NH1 2.83Å
209	H	94	Very high	95.2	Very high	55 Å²	55	30.9 Å²	30.9	26%	0.255	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	16.6	-174.4	-49.6	-99.7	0	0	0	114.8	L205 V206 Q211 Q257 F259 N263	L205-H209 PolarHBondContact O-N 3.31Å; V206-H209 WeakPolarHBondContact O-CA 3.25Å; V206-H209 PolarHBondContact O-N 3.39Å; H209-Q211 PolarHBondContact O-N 3.4Å; H209-Q211 VanDerWaalsContact O-N 3.09Å; H209-Q257 PolarHBondContact NE2-O 2.98Å; H209-F259 AromaticContact CE1-CD2 3.9Å; H209-F259 AromaticContact ND1-CD2 3.99Å; H209-N263 PolarHBondContact CE1-ND2 2.98Å
210	E	94.1	Very high	94.9	Very high	56 Å²	56	35.6 Å²	35.6	26%	0.262	18%	0.179	S	C	.	.			trans	-87.3	49.7	175.4	-63.2	-64.9	166.9	0	0	111.4	L205 L208 R212 L213 A214 R256	L205-E210 HydrophobicContact CB-CB 4.15Å; L205-E210 HydrophobicContact CD2-CB 3.88Å; L205-E210 HydrophobicContact CD2-CG 4.34Å; L205-E210 WeakPolarHBondContact O-CA 3.34Å; L205-E210 WeakPolarHBondContact O-CB 3.49Å; L205-E210 PolarHBondContact O-N 2.93Å; L208-E210 VanDerWaalsContact C-N 3.28Å; L208-E210 HydrophobicContact CB-CG 4.37Å; E210-R212 VanDerWaalsContact C-N 3.32Å; E210-R212 PolarHBondContact O-N 2.97Å; E210-L213 PolarHBondContact O-N 3.42Å; E210-A214 PolarHBondContact O-N 3.24Å; E210-R256 IonicContact OE1-CZ 3.47Å; E210-R256 IonicContact OE1-NH1 2.98Å; E210-R256 PolarHBondContact OE1-NH1 3.47Å; E210-R256 IonicContact OE1-NH2 2.73Å; E210-R256 PolarHBondContact OE1-NH2 3.41Å
211	Q	93.7	Very high	94.8	Very high	39 Å²	39	34.9 Å²	34.9	18%	0.182	18%	0.175	C	C	.	.	H	α-helix	trans	-61.6	-38.4	-169.7	-62.2	-176.7	2.8	0	0	112.8	H209 A214 L215 F267	H209-Q211 PolarHBondContact O-N 3.4Å; H209-Q211 VanDerWaalsContact O-N 3.09Å; Q211-A214 PolarHBondContact O-N 3.35Å; Q211-L215 VanDerWaalsContact O-CG 3.3Å; Q211-L215 WeakPolarHBondContact O-CG 3.48Å; Q211-L215 PolarHBondContact O-N 3.16Å; Q211-F267 HydrophobicContact CB-CD2 4.05Å; Q211-F267 HydrophobicContact CG-CD2 3.93Å
212	R	95.1	Very high	94.6	Very high	206 Å²	206	38.7 Å²	38.7	78%	0.777	20%	0.198	S	C	*	.	H	α-helix	trans	-62.6	-46.8	179.4	-67.3	-177.6	-175.2	170.3	0.3	111	E210 L215 S216	E210-R212 VanDerWaalsContact C-N 3.32Å; E210-R212 PolarHBondContact O-N 2.97Å; R212-L215 PolarHBondContact O-N 3.26Å; R212-S216 PolarHBondContact O-N 3.42Å; R212-S216 PolarHBondContact O-OG 3.03Å
213	L	95.7	Very high	94.6	Very high	44 Å²	44	43.3 Å²	43.3	23%	0.23	23%	0.226	C	C	.	.	H	α-helix	trans	-66.7	-40.1	178.6	-176	57.9	0	0	0	111.5	C181 A184 L188 L205 E210 L215 S216 Y217	C181-L213 HydrophobicContact CB-CD2 3.99Å; A184-L213 HydrophobicContact CB-CD1 4.4Å; A184-L213 HydrophobicContact CB-CD2 4.11Å; A184-L213 HydrophobicContact CB-CG 4.14Å; L188-L213 HydrophobicContact CD1-CD1 4Å; L205-L213 HydrophobicContact CD1-CB 4.42Å; L205-L213 HydrophobicContact CD1-CD2 4.23Å; L205-L213 HydrophobicContact CD1-CG 3.94Å; L205-L213 HydrophobicContact CD2-CD2 4Å; E210-L213 PolarHBondContact O-N 3.42Å; L213-L215 VanDerWaalsContact C-N 3.33Å; L213-L215 PolarHBondContact O-N 3.19Å; L213-S216 PolarHBondContact O-N 3.05Å; L213-Y217 WeakPolarHBondContact O-CB 3.39Å; L213-Y217 PolarHBondContact O-N 2.77Å
214	A	96.6	Very high	94.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.4	-42.8	174.7	0	0	0	0	0	112.2	L205 V206 E210 Q211 Y217 L218 F267	L205-A214 HydrophobicContact CB-CB 3.84Å; L205-A214 HydrophobicContact CD1-CB 4.33Å; V206-A214 HydrophobicContact CG2-CB 3.67Å; E210-A214 PolarHBondContact O-N 3.24Å; Q211-A214 PolarHBondContact O-N 3.35Å; A214-Y217 PolarHBondContact O-N 3.23Å; A214-L218 WeakPolarHBondContact O-CG 3.2Å; A214-L218 PolarHBondContact O-N 3.2Å; A214-F267 HydrophobicContact CB-CE2 4.46Å
215	L	96.3	Very high	94.6	Very high	10 Å²	10	43.9 Å²	43.9	5%	0.052	23%	0.229	C	C	.	.	H	α-helix	trans	-69.7	-38.6	177.5	-65.9	174.6	0	0	0	112.3	Q211 R212 L213 Y217 L218 E219 L225 F267 A271 F275	Q211-L215 VanDerWaalsContact O-CG 3.3Å; Q211-L215 WeakPolarHBondContact O-CG 3.48Å; Q211-L215 PolarHBondContact O-N 3.16Å; R212-L215 PolarHBondContact O-N 3.26Å; L213-L215 VanDerWaalsContact C-N 3.33Å; L213-L215 PolarHBondContact O-N 3.19Å; L215-Y217 VanDerWaalsContact C-N 3.35Å; L215-L218 PolarHBondContact O-N 3.04Å; L215-E219 PolarHBondContact O-N 2.87Å; L215-E219 VanDerWaalsContact O-N 3.08Å; L215-L225 HydrophobicContact CD2-CD1 4.34Å; L215-F267 HydrophobicContact CD2-CE2 3.65Å; L215-F267 HydrophobicContact CD2-CZ 3.92Å; L215-F267 HydrophobicContact CG-CE2 3.96Å; L215-A271 HydrophobicContact CD2-CB 3.68Å; L215-F275 HydrophobicContact CB-CE2 4.31Å; L215-F275 HydrophobicContact CD2-CE2 3.99Å
216	S	94.5	Very high	94.7	Very high	43 Å²	43	44.9 Å²	44.9	30%	0.301	24%	0.235	S	C	.	.	H	α-helix	trans	-64.4	-38.8	173.3	-73.1	0	0	0	0	112.2	R212 L213 L218 E219	R212-S216 PolarHBondContact O-N 3.42Å; R212-S216 PolarHBondContact O-OG 3.03Å; L213-S216 PolarHBondContact O-N 3.05Å; S216-L218 VanDerWaalsContact C-N 3.27Å; S216-L218 PolarHBondContact O-N 2.81Å; S216-E219 WeakPolarHBondContact O-CB 3.33Å; S216-E219 PolarHBondContact O-N 2.94Å
217	Y	95.8	Very high	94.8	Very high	5 Å²	5	47.6 Å²	47.6	2%	0.02	25%	0.249	C	C	.	.	H	α-helix	trans	-59.1	-38.8	175.3	179.7	-85.4	0	0	0	112.3	A184 A187 C193 I201 A202 L213 A214 L215	A184-Y217 HydrophobicContact CB-CD2 3.98Å; A187-Y217 HydrophobicContact CB-CD2 4.39Å; A187-Y217 HydrophobicContact CB-CE2 3.66Å; C193-Y217 WeakPolarHBondContact CA-OH 3.22Å; C193-Y217 HydrophobicContact CB-CE1 4.21Å; C193-Y217 HydrophobicContact CB-CE2 4.04Å; C193-Y217 PolarHBondContact O-OH 3.23Å; I201-Y217 HydrophobicContact CB-CE2 4.19Å; I201-Y217 HydrophobicContact CD1-CE2 3.91Å; I201-Y217 HydrophobicContact CG2-CD2 4.13Å; I201-Y217 HydrophobicContact CG2-CE2 3.94Å; A202-Y217 HydrophobicContact CB-CD1 3.95Å; A202-Y217 HydrophobicContact CB-CE1 4.33Å; L213-Y217 WeakPolarHBondContact O-CB 3.39Å; L213-Y217 PolarHBondContact O-N 2.77Å; A214-Y217 PolarHBondContact O-N 3.23Å; L215-Y217 VanDerWaalsContact C-N 3.35Å
218	L	95.4	Very high	94.9	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-0.5	-177.2	-64.8	168.7	0	0	0	113.9	A202 A214 L215 S216 C220 D221 Q224 L225 L228	A202-L218 HydrophobicContact CB-CD1 3.84Å; A202-L218 HydrophobicContact CB-CD2 3.98Å; A202-L218 HydrophobicContact CB-CG 3.95Å; A214-L218 WeakPolarHBondContact O-CG 3.2Å; A214-L218 PolarHBondContact O-N 3.2Å; L215-L218 PolarHBondContact O-N 3.04Å; S216-L218 VanDerWaalsContact C-N 3.27Å; S216-L218 PolarHBondContact O-N 2.81Å; L218-C220 PolarHBondContact O-N 3.14Å; L218-D221 CarbonylContact O-C 3.4Å; L218-D221 PolarHBondContact O-N 3.03Å; L218-Q224 HydrophobicContact CD2-CB 3.73Å; L218-L225 HydrophobicContact CB-CB 4.17Å; L218-L225 HydrophobicContact CB-CD1 4.21Å; L218-L225 HydrophobicContact CD1-CD1 3.88Å; L218-L228 HydrophobicContact CD1-CD2 3.53Å
219	E	92.6	Very high	95.1	Very high	90 Å²	90	47.4 Å²	47.4	42%	0.421	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-32.6	-168	-175.7	152.9	-141.2	0	0	113.2	L215 S216 R274 F275	L215-E219 PolarHBondContact O-N 2.87Å; L215-E219 VanDerWaalsContact O-N 3.08Å; S216-E219 WeakPolarHBondContact O-CB 3.33Å; S216-E219 PolarHBondContact O-N 2.94Å; E219-R274 VanDerWaalsContact CD-NH2 3.28Å; E219-R274 IonicContact OE1-CZ 3.49Å; E219-R274 IonicContact OE1-NE 3.51Å; E219-R274 IonicContact OE1-NH2 2.78Å; E219-R274 PolarHBondContact OE1-NH2 3.4Å; E219-R274 IonicContact OE2-NH2 2.62Å; E219-R274 PolarHBondContact OE2-NH2 3.39Å; E219-F275 HydrophobicContact CB-CE1 4.4Å; E219-F275 HydrophobicContact CB-CZ 4.32Å; E219-F275 HydrophobicContact CG-CE1 4.16Å; E219-F275 HydrophobicContact CG-CZ 4.37Å
220	C	88.9	Confident	95.3	Very high	134 Å²	134	50.3 Å²	50.3	91%	0.905	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-2.1	179.5	-59.3	0	0	0	0	114.1	L218	L218-C220 PolarHBondContact O-N 3.14Å
221	D	93.9	Very high	95.5	Very high	41 Å²	41	49.4 Å²	49.4	22%	0.219	25%	0.254	C	S	.	.			trans	-130.3	85.7	-177.8	-167.9	-23.3	0	0	0	111	L218 V223 Q224 L225	L218-D221 CarbonylContact O-C 3.4Å; L218-D221 PolarHBondContact O-N 3.03Å; D221-V223 PolarHBondContact O-N 3.25Å; D221-V223 WeakPolarHBondContact OD1-CB 3.44Å; D221-V223 PolarHBondContact OD1-N 3.13Å; D221-V223 VanDerWaalsContact OD1-N 3.09Å; D221-Q224 HydrophobicContact CB-CB 4.21Å; D221-Q224 PolarHBondContact O-N 3.36Å; D221-Q224 PolarHBondContact OD1-N 2.97Å; D221-Q224 VanDerWaalsContact OD2-CG 3.32Å; D221-Q224 WeakPolarHBondContact OD2-CG 3.42Å; D221-Q224 PolarHBondContact OD2-NE2 3.27Å; D221-L225 WeakPolarHBondContact O-CB 3.41Å; D221-L225 PolarHBondContact O-N 2.94Å
222	V	92.2	Very high	95.7	Very high	79 Å²	79	47.7 Å²	47.7	48%	0.479	25%	0.246	S	C	.	.	H	α-helix	trans	-62.6	-28.1	179.1	179.3	0	0	0	0	111.6	T226	V222-T226 HydrophobicContact CG1-CG2 4.1Å; V222-T226 WeakPolarHBondContact O-CB 3.23Å; V222-T226 VanDerWaalsContact O-CG2 3.25Å; V222-T226 WeakPolarHBondContact O-CG2 3.01Å; V222-T226 PolarHBondContact O-N 2.87Å; V222-T226 PolarHBondContact O-OG1 2.86Å
223	V	95	Very high	95.8	Very high	98 Å²	98	38 Å²	38	59%	0.594	21%	0.21	S	C	*	.	H	α-helix	trans	-68.8	-51.2	179.3	179	0	0	0	0	109.6	D221 L225 T226 N227	D221-V223 PolarHBondContact O-N 3.25Å; D221-V223 WeakPolarHBondContact OD1-CB 3.44Å; D221-V223 PolarHBondContact OD1-N 3.13Å; D221-V223 VanDerWaalsContact OD1-N 3.09Å; V223-L225 VanDerWaalsContact C-N 3.32Å; V223-L225 PolarHBondContact O-N 3.37Å; V223-T226 PolarHBondContact O-N 3.48Å; V223-T226 PolarHBondContact O-OG1 3.05Å; V223-N227 WeakPolarHBondContact O-CB 3.44Å; V223-N227 VanDerWaalsContact O-CG 3.24Å; V223-N227 PolarHBondContact O-N 3.39Å; V223-N227 PolarHBondContact O-ND2 3.09Å
224	Q	95.9	Very high	95.9	Very high	16 Å²	16	38.1 Å²	38.1	8%	0.075	21%	0.214	C	C	.	.	H	α-helix	trans	-61.6	-40.4	174.8	-77.2	-168.9	55.4	0	0	112.3	C193 F196 E198 L218 D221 T226 N227 L228	C193-Q224 PolarHBondContact O-NE2 2.93Å; F196-Q224 PolarHBondContact O-NE2 3.35Å; F196-Q224 PolarHBondContact O-OE1 3.45Å; E198-Q224 HydrophobicContact CB-CB 4.27Å; L218-Q224 HydrophobicContact CD2-CB 3.73Å; D221-Q224 HydrophobicContact CB-CB 4.21Å; D221-Q224 PolarHBondContact O-N 3.36Å; D221-Q224 PolarHBondContact OD1-N 2.97Å; D221-Q224 VanDerWaalsContact OD2-CG 3.32Å; D221-Q224 WeakPolarHBondContact OD2-CG 3.42Å; D221-Q224 PolarHBondContact OD2-NE2 3.27Å; Q224-T226 PolarHBondContact O-N 3.16Å; Q224-N227 PolarHBondContact O-N 3.16Å; Q224-L228 WeakPolarHBondContact O-CB 3.5Å; Q224-L228 PolarHBondContact O-N 3.21Å
225	L	97	Very high	95.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-56.9	-53.2	175.2	177.6	61.9	0	0	0	111.1	L215 L218 D221 V223 N227 L228 L229 F275 L277	L215-L225 HydrophobicContact CD2-CD1 4.34Å; L218-L225 HydrophobicContact CB-CB 4.17Å; L218-L225 HydrophobicContact CB-CD1 4.21Å; L218-L225 HydrophobicContact CD1-CD1 3.88Å; D221-L225 WeakPolarHBondContact O-CB 3.41Å; D221-L225 PolarHBondContact O-N 2.94Å; V223-L225 VanDerWaalsContact C-N 3.32Å; V223-L225 PolarHBondContact O-N 3.37Å; L225-N227 VanDerWaalsContact C-N 3.33Å; L225-N227 PolarHBondContact O-N 3.43Å; L225-L228 PolarHBondContact O-N 3.43Å; L225-L229 HydrophobicContact CD1-CD1 4.33Å; L225-L229 HydrophobicContact CD1-CD2 4.5Å; L225-L229 HydrophobicContact CD1-CG 4.28Å; L225-L229 HydrophobicContact CG-CD1 4.26Å; L225-L229 VanDerWaalsContact O-CG 3.29Å; L225-L229 WeakPolarHBondContact O-CG 3.3Å; L225-L229 PolarHBondContact O-N 3Å; L225-F275 HydrophobicContact CD2-CB 4Å; L225-F275 HydrophobicContact CD2-CD1 3.93Å; L225-F275 HydrophobicContact CD2-CD2 3.49Å; L225-F275 VanDerWaalsContact CD2-CD2 3.49Å; L225-F275 HydrophobicContact CD2-CE1 4.27Å; L225-F275 HydrophobicContact CD2-CE2 3.88Å; L225-F275 HydrophobicContact CD2-CG 3.53Å; L225-F275 HydrophobicContact CD2-CZ 4.25Å; L225-L277 HydrophobicContact CD2-CD1 4.08Å; L225-L277 HydrophobicContact CG-CD1 4.45Å
226	T	97.3	Very high	95.9	Very high	20 Å²	20	39.3 Å²	39.3	12%	0.123	22%	0.219	C	C	.	.	H	α-helix	trans	-65.2	-36.5	-177.9	54.1	0	0	0	0	112.2	V222 V223 Q224 L229 R230 L277 V282	V222-T226 HydrophobicContact CG1-CG2 4.1Å; V222-T226 WeakPolarHBondContact O-CB 3.23Å; V222-T226 VanDerWaalsContact O-CG2 3.25Å; V222-T226 WeakPolarHBondContact O-CG2 3.01Å; V222-T226 PolarHBondContact O-N 2.87Å; V222-T226 PolarHBondContact O-OG1 2.86Å; V223-T226 PolarHBondContact O-N 3.48Å; V223-T226 PolarHBondContact O-OG1 3.05Å; Q224-T226 PolarHBondContact O-N 3.16Å; T226-L229 PolarHBondContact O-N 3.44Å; T226-R230 WeakPolarHBondContact O-CB 3.49Å; T226-R230 WeakPolarHBondContact O-CG 3.35Å; T226-R230 PolarHBondContact O-N 3.19Å; T226-L277 HydrophobicContact CG2-CD1 4.39Å; T226-V282 HydrophobicContact CG2-CG1 3.89Å
227	N	97.4	Very high	95.7	Very high	58 Å²	58	43.3 Å²	43.3	31%	0.31	23%	0.233	S	C	.	.	H	α-helix	trans	-61.6	-45.3	173	-71.5	-14.7	0	0	0	111.8	E198 V223 Q224 L225 L229 R230 L231	E198-N227 HydrophobicContact CG-CB 4.32Å; E198-N227 WeakPolarHBondContact OE1-CB 3.21Å; V223-N227 WeakPolarHBondContact O-CB 3.44Å; V223-N227 VanDerWaalsContact O-CG 3.24Å; V223-N227 PolarHBondContact O-N 3.39Å; V223-N227 PolarHBondContact O-ND2 3.09Å; Q224-N227 PolarHBondContact O-N 3.16Å; L225-N227 VanDerWaalsContact C-N 3.33Å; L225-N227 PolarHBondContact O-N 3.43Å; N227-L229 PolarHBondContact O-N 3.03Å; N227-R230 PolarHBondContact O-N 2.71Å; N227-L231 WeakPolarHBondContact O-CB 3.42Å; N227-L231 PolarHBondContact O-N 3.44Å
228	L	97.9	Very high	95.6	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.8	-44.7	177	-178.1	60.6	0	0	0	112	E198 A202 L203 V206 L218 Q224 L225 L231 I232 F267	E198-L228 HydrophobicContact CB-CB 4.05Å; E198-L228 HydrophobicContact CG-CB 4.09Å; A202-L228 HydrophobicContact CB-CD2 3.99Å; L203-L228 HydrophobicContact CB-CD1 3.67Å; L203-L228 HydrophobicContact CD1-CD1 3.93Å; L203-L228 HydrophobicContact CG-CD1 4.31Å; V206-L228 HydrophobicContact CG2-CD2 4.27Å; L218-L228 HydrophobicContact CD1-CD2 3.53Å; Q224-L228 WeakPolarHBondContact O-CB 3.5Å; Q224-L228 PolarHBondContact O-N 3.21Å; L225-L228 PolarHBondContact O-N 3.43Å; L228-L231 PolarHBondContact O-N 3.4Å; L228-I232 HydrophobicContact CD1-CD1 4.02Å; L228-I232 HydrophobicContact CD1-CG1 4.28Å; L228-I232 HydrophobicContact CG-CD1 4Å; L228-I232 WeakPolarHBondContact O-CG1 3.4Å; L228-I232 PolarHBondContact O-N 3.25Å; L228-F267 HydrophobicContact CD2-CE1 4.29Å; L228-F267 HydrophobicContact CD2-CZ 4.17Å
229	L	98.3	Very high	95.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.3	-46.5	178.9	-63.3	179.2	0	0	0	110.9	L225 T226 N227 L231 I232 D233 F267 L268 A271 I272 L277 V282	L225-L229 HydrophobicContact CD1-CD1 4.33Å; L225-L229 HydrophobicContact CD1-CD2 4.5Å; L225-L229 HydrophobicContact CD1-CG 4.28Å; L225-L229 HydrophobicContact CG-CD1 4.26Å; L225-L229 VanDerWaalsContact O-CG 3.29Å; L225-L229 WeakPolarHBondContact O-CG 3.3Å; L225-L229 PolarHBondContact O-N 3Å; T226-L229 PolarHBondContact O-N 3.44Å; N227-L229 PolarHBondContact O-N 3.03Å; L229-L231 VanDerWaalsContact C-N 3.33Å; L229-L231 PolarHBondContact O-N 3.33Å; L229-I232 PolarHBondContact O-N 2.98Å; L229-D233 VanDerWaalsContact O-CB 3.23Å; L229-D233 WeakPolarHBondContact O-CB 3.39Å; L229-D233 PolarHBondContact O-N 3.39Å; L229-F267 HydrophobicContact CD2-CD1 4.37Å; L229-F267 HydrophobicContact CD2-CE1 3.8Å; L229-L268 HydrophobicContact CB-CD2 4.04Å; L229-L268 HydrophobicContact CD2-CD2 3.6Å; L229-L268 HydrophobicContact CG-CD2 4.39Å; L229-A271 HydrophobicContact CD1-CB 4.19Å; L229-A271 HydrophobicContact CD2-CB 3.6Å; L229-I272 HydrophobicContact CD1-CG1 4.22Å; L229-L277 HydrophobicContact CD1-CD1 3.51Å; L229-V282 CarbonylContact C-O 3.54Å; L229-V282 HydrophobicContact CB-CB 4.38Å; L229-V282 HydrophobicContact CD1-CB 4.36Å; L229-V282 HydrophobicContact CD1-CG2 4.07Å
230	R	98.1	Very high	95.6	Very high	116 Å²	116	50 Å²	50	44%	0.438	28%	0.281	S	S	.	.	H	α-helix	trans	-62.9	-39.2	176.3	-72.2	175.2	-178.6	149.1	1	112.3	T226 N227 D233 S234 E281 V282	T226-R230 WeakPolarHBondContact O-CB 3.49Å; T226-R230 WeakPolarHBondContact O-CG 3.35Å; T226-R230 PolarHBondContact O-N 3.19Å; N227-R230 PolarHBondContact O-N 2.71Å; R230-D233 PolarHBondContact O-N 3.34Å; R230-S234 VanDerWaalsContact O-CB 3.31Å; R230-S234 WeakPolarHBondContact O-CB 3.48Å; R230-S234 PolarHBondContact O-N 3.3Å; R230-S234 PolarHBondContact O-OG 2.86Å; R230-E281 PolarHBondContact NE-O 2.98Å; R230-E281 PolarHBondContact NH2-O 3.39Å; R230-V282 WeakPolarHBondContact CG-O 3.4Å; R230-V282 PolarHBondContact N-O 3.27Å
231	L	97.5	Very high	95.9	Very high	38 Å²	38	47.6 Å²	47.6	20%	0.199	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-51.2	176.4	177.6	63	0	0	0	110.8	V199 L203 N227 L228 L229 S234 H235 F245	V199-L231 HydrophobicContact CG1-CD2 4.33Å; V199-L231 HydrophobicContact CG2-CD2 4.43Å; L203-L231 HydrophobicContact CD2-CD2 4.07Å; N227-L231 WeakPolarHBondContact O-CB 3.42Å; N227-L231 PolarHBondContact O-N 3.44Å; L228-L231 PolarHBondContact O-N 3.4Å; L229-L231 VanDerWaalsContact C-N 3.33Å; L229-L231 PolarHBondContact O-N 3.33Å; L231-S234 PolarHBondContact O-OG 2.97Å; L231-H235 PolarHBondContact O-ND1 3.22Å; L231-F245 HydrophobicContact CD1-CE2 4.38Å; L231-F245 HydrophobicContact CD2-CE2 4.34Å; L231-F245 HydrophobicContact CG-CE2 4.04Å; L231-F245 HydrophobicContact CG-CZ 4.48Å
232	I	97.8	Very high	96	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-63	-46.6	178.3	-66.4	170.3	0	0	0	110.5	L203 V206 L228 L229 S234 H235 F245 A264 F267 L268	L203-I232 HydrophobicContact CD1-CD1 4.22Å; L203-I232 HydrophobicContact CD1-CG1 4.11Å; V206-I232 HydrophobicContact CG1-CD1 4.19Å; L228-I232 HydrophobicContact CD1-CD1 4.02Å; L228-I232 HydrophobicContact CD1-CG1 4.28Å; L228-I232 HydrophobicContact CG-CD1 4Å; L228-I232 WeakPolarHBondContact O-CG1 3.4Å; L228-I232 PolarHBondContact O-N 3.25Å; L229-I232 PolarHBondContact O-N 2.98Å; I232-S234 PolarHBondContact O-N 3.39Å; I232-H235 PolarHBondContact O-N 3.47Å; I232-H235 VanDerWaalsContact O-N 3.14Å; I232-F245 HydrophobicContact CG1-CE1 4.38Å; I232-F245 HydrophobicContact CG1-CZ 4.11Å; I232-A264 HydrophobicContact CG2-CB 3.93Å; I232-F267 HydrophobicContact CD1-CD1 3.76Å; I232-F267 HydrophobicContact CD1-CE1 3.69Å; I232-L268 HydrophobicContact CB-CD2 4.34Å; I232-L268 HydrophobicContact CG2-CD1 4.28Å; I232-L268 HydrophobicContact CG2-CD2 4.25Å; I232-L268 HydrophobicContact CG2-CG 4.28Å
233	D	98.2	Very high	96.1	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-59	-45.6	-178	-176.5	74.4	0	0	0	112.5	L229 R230 H235 L236 L268 A283 P284 N285 F286	L229-D233 VanDerWaalsContact O-CB 3.23Å; L229-D233 WeakPolarHBondContact O-CB 3.39Å; L229-D233 PolarHBondContact O-N 3.39Å; R230-D233 PolarHBondContact O-N 3.34Å; D233-H235 PolarHBondContact O-N 3.04Å; D233-L236 WeakPolarHBondContact O-CB 3.46Å; D233-L236 WeakPolarHBondContact O-CG 3.5Å; D233-L236 PolarHBondContact O-N 3.02Å; D233-L268 HydrophobicContact CB-CD1 4.47Å; D233-A283 HydrophobicContact CB-CB 4.08Å; D233-A283 VanDerWaalsContact CG-C 3.5Å; D233-A283 VanDerWaalsContact OD1-C 3.28Å; D233-A283 WeakPolarHBondContact OD1-CA 3.34Å; D233-P284 WeakPolarHBondContact OD2-CD 3.38Å; D233-N285 PolarHBondContact O-ND2 2.95Å; D233-N285 WeakPolarHBondContact OD1-CB 3.41Å; D233-N285 PolarHBondContact OD1-N 3.3Å; D233-N285 WeakPolarHBondContact OD2-CB 3.36Å; D233-N285 PolarHBondContact OD2-N 3.48Å; D233-N285 PolarHBondContact OD2-ND2 3.49Å; D233-F286 WeakPolarHBondContact OD1-CB 3.29Å; D233-F286 PolarHBondContact OD1-N 2.85Å
234	S	97.3	Very high	96.1	Very high	45 Å²	45	50.6 Å²	50.6	32%	0.315	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-15	179.7	72.2	0	0	0	0	114.1	R230 L231 I232 K241	R230-S234 VanDerWaalsContact O-CB 3.31Å; R230-S234 WeakPolarHBondContact O-CB 3.48Å; R230-S234 PolarHBondContact O-N 3.3Å; R230-S234 PolarHBondContact O-OG 2.86Å; L231-S234 PolarHBondContact O-OG 2.97Å; I232-S234 PolarHBondContact O-N 3.39Å; S234-K241 PolarHBondContact O-NZ 3.36Å
235	H	97.2	Very high	96	Very high	35 Å²	35	50 Å²	50	16%	0.162	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-0.9	178.6	-70.2	83.5	0	0	0	113.7	L231 I232 D233 H237 F242 F245	L231-H235 PolarHBondContact O-ND1 3.22Å; I232-H235 PolarHBondContact O-N 3.47Å; I232-H235 VanDerWaalsContact O-N 3.14Å; D233-H235 PolarHBondContact O-N 3.04Å; H235-H237 PolarHBondContact O-N 3.26Å; H235-F242 VanDerWaalsContact O-CA 3.24Å; H235-F242 WeakPolarHBondContact O-CA 3.44Å; H235-F242 WeakPolarHBondContact O-CB 3.38Å; H235-F242 PolarHBondContact O-N 3.49Å; H235-F245 HydrophobicContact CB-CB 3.94Å; H235-F245 HydrophobicContact CB-CD1 4.2Å; H235-F245 HydrophobicContact CB-CD2 4.24Å; H235-F245 HydrophobicContact CB-CG 3.87Å; H235-F245 AromaticContact CD2-CD2 3.81Å; H235-F245 AromaticContact CD2-CG 3.92Å; H235-F245 AromaticContact CG-CD2 3.69Å; H235-F245 AromaticContact CG-CG 3.77Å; H235-F245 AromaticContact ND1-CD2 3.84Å
236	L	96.4	Very high	95.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-66.9	-18.7	-179.8	-66	179.4	0	0	0	113.9	D233 F242 I261 A264 L268 F286	D233-L236 WeakPolarHBondContact O-CB 3.46Å; D233-L236 WeakPolarHBondContact O-CG 3.5Å; D233-L236 PolarHBondContact O-N 3.02Å; L236-F242 HydrophobicContact CD2-CD2 4.25Å; L236-F242 HydrophobicContact CD2-CE2 4.23Å; L236-I261 HydrophobicContact CD2-CD1 4.36Å; L236-I261 HydrophobicContact CD2-CG1 3.89Å; L236-I261 WeakPolarHBondContact O-CD1 3.46Å; L236-A264 HydrophobicContact CD2-CB 3.94Å; L236-L268 HydrophobicContact CD1-CD1 3.82Å; L236-F286 HydrophobicContact CD1-CB 3.75Å
237	H	90.4	Very high	95.6	Very high	128 Å²	128	60.1 Å²	60.1	59%	0.593	28%	0.282	S	S	*	.	S	Bend	trans	-143.1	139.3	-179.8	-166.9	63.7	0	0	0	112.3	H235	H235-H237 PolarHBondContact O-N 3.26Å
238	P	93.7	Very high	95.3	Very high	60 Å²	60	62.9 Å²	62.9	39%	0.39	29%	0.293	S	S	.	.	S	Bend	cis	-68.3	166.5	-11.2	30.8	-36.5	0	0	0	113.1	S240 K241 F242	P238-S240 PolarHBondContact O-N 3.4Å; P238-S240 VanDerWaalsContact O-N 3.16Å; P238-K241 HydrophobicContact CG-CB 4.05Å; P238-K241 WeakPolarHBondContact O-CA 3.4Å; P238-K241 VanDerWaalsContact O-CB 3.27Å; P238-K241 WeakPolarHBondContact O-CB 3.46Å; P238-K241 PolarHBondContact O-N 2.93Å; P238-F242 PolarHBondContact O-N 3.35Å
239	L	91.9	Very high	95	Very high	90 Å²	90	66.3 Å²	66.3	47%	0.471	31%	0.307	S	S	.	.	H	α-helix	trans	-57.2	-33.6	-179.2	-174.4	65.4	0	0	0	112.7	K241 F242 H243 I261	L239-K241 VanDerWaalsContact C-N 3.32Å; L239-K241 PolarHBondContact O-N 2.61Å; L239-F242 WeakPolarHBondContact O-CB 3.3Å; L239-F242 PolarHBondContact O-N 2.78Å; L239-H243 PolarHBondContact O-N 2.74Å; L239-I261 HydrophobicContact CD1-CB 4.44Å; L239-I261 HydrophobicContact CD1-CD1 4.3Å
240	S	94.3	Very high	94.5	Very high	86 Å²	86	68.6 Å²	68.6	60%	0.601	32%	0.315	S	S	*	.	H	α-helix	trans	-62.1	-37.3	173.8	53.2	0	0	0	0	113	P238 H243 R244	P238-S240 PolarHBondContact O-N 3.4Å; P238-S240 VanDerWaalsContact O-N 3.16Å; S240-H243 PolarHBondContact O-N 3.5Å; S240-R244 PolarHBondContact O-N 2.75Å; S240-R244 VanDerWaalsContact O-N 3.11Å
241	K	95.6	Very high	93.8	Very high	84 Å²	84	63.7 Å²	63.7	37%	0.365	30%	0.298	S	S	.	.	H	α-helix	trans	-65.5	-42	174.3	-173.3	-175.3	-179.1	-170	0	110.5	S234 P238 L239 R244 F245	S234-K241 PolarHBondContact O-NZ 3.36Å; P238-K241 HydrophobicContact CG-CB 4.05Å; P238-K241 WeakPolarHBondContact O-CA 3.4Å; P238-K241 VanDerWaalsContact O-CB 3.27Å; P238-K241 WeakPolarHBondContact O-CB 3.46Å; P238-K241 PolarHBondContact O-N 2.93Å; L239-K241 VanDerWaalsContact C-N 3.32Å; L239-K241 PolarHBondContact O-N 2.61Å; K241-R244 PolarHBondContact O-N 2.95Å; K241-F245 WeakPolarHBondContact O-CB 3.37Å; K241-F245 PolarHBondContact O-N 2.99Å
242	F	95.9	Very high	92.9	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-47.4	175.5	-174.4	-101.7	0	0	0	112	H235 L236 P238 L239 R244 F245 V246 F259 A260 I261 A264	H235-F242 VanDerWaalsContact O-CA 3.24Å; H235-F242 WeakPolarHBondContact O-CA 3.44Å; H235-F242 WeakPolarHBondContact O-CB 3.38Å; H235-F242 PolarHBondContact O-N 3.49Å; L236-F242 HydrophobicContact CD2-CD2 4.25Å; L236-F242 HydrophobicContact CD2-CE2 4.23Å; P238-F242 PolarHBondContact O-N 3.35Å; L239-F242 WeakPolarHBondContact O-CB 3.3Å; L239-F242 PolarHBondContact O-N 2.78Å; F242-R244 VanDerWaalsContact C-N 3.33Å; F242-R244 PolarHBondContact O-N 3.43Å; F242-F245 WeakPolarHBondContact O-CB 3.36Å; F242-F245 PolarHBondContact O-N 3.48Å; F242-V246 HydrophobicContact CD1-CG2 4.22Å; F242-V246 HydrophobicContact CE1-CG2 3.7Å; F242-V246 HydrophobicContact CE2-CG2 4.27Å; F242-V246 HydrophobicContact CZ-CG2 3.74Å; F242-V246 WeakPolarHBondContact O-CG2 3.36Å; F242-V246 PolarHBondContact O-N 2.79Å; F242-F259 WeakPolarHBondContact CE1-O 3.31Å; F242-F259 HydrophobicContact CZ-CD1 4.07Å; F242-F259 HydrophobicContact CZ-CE1 4.3Å; F242-A260 VanDerWaalsContact CE1-C 3.49Å; F242-I261 HydrophobicContact CD1-CB 4.12Å; F242-I261 HydrophobicContact CE1-CB 4.04Å; F242-I261 VanDerWaalsContact CE1-N 3.27Å; F242-I261 HydrophobicContact CZ-CB 4.38Å; F242-A264 HydrophobicContact CE2-CB 3.71Å; F242-A264 HydrophobicContact CZ-CB 3.86Å
243	H	94.3	Very high	92	Very high	93 Å²	93	76.9 Å²	76.9	43%	0.431	36%	0.361	S	S	.	.	H	α-helix	trans	-61.2	-40.5	178.2	-66	171.1	0	0	0	112.4	L239 S240 V246 R247	L239-H243 PolarHBondContact O-N 2.74Å; S240-H243 PolarHBondContact O-N 3.5Å; H243-V246 PolarHBondContact O-N 3.23Å; H243-R247 WeakPolarHBondContact O-CB 3.41Å; H243-R247 PolarHBondContact O-N 3.26Å
244	R	94.7	Very high	90.8	Very high	188 Å²	188	79.8 Å²	79.8	71%	0.709	38%	0.38	S	S	*	.	H	α-helix	trans	-63.6	-43.2	175.4	-178.4	177.3	173	171.6	-1.2	111.8	S240 K241 F242 R247 Q248	S240-R244 PolarHBondContact O-N 2.75Å; S240-R244 VanDerWaalsContact O-N 3.11Å; K241-R244 PolarHBondContact O-N 2.95Å; F242-R244 VanDerWaalsContact C-N 3.33Å; F242-R244 PolarHBondContact O-N 3.43Å; R244-R247 PolarHBondContact O-N 3.47Å; R244-Q248 WeakPolarHBondContact O-CB 3.26Å; R244-Q248 PolarHBondContact O-N 2.91Å
245	F	95.2	Very high	89.6	Confident	2 Å²	2	87.7 Å²	87.7	1%	0.009	41%	0.409	C	S	.	.	H	α-helix	trans	-57.9	-50.3	176.3	168.2	-102.8	0	0	0	111.8	L203 L207 L231 I232 H235 K241 F242 R247 Q248 Y249	L203-F245 HydrophobicContact CD1-CE1 4.18Å; L203-F245 HydrophobicContact CD1-CZ 3.59Å; L203-F245 HydrophobicContact CD2-CE2 3.91Å; L203-F245 HydrophobicContact CD2-CZ 3.77Å; L203-F245 HydrophobicContact CG-CZ 4.32Å; L207-F245 HydrophobicContact CD2-CE1 4.36Å; L231-F245 HydrophobicContact CD1-CE2 4.38Å; L231-F245 HydrophobicContact CD2-CE2 4.34Å; L231-F245 HydrophobicContact CG-CE2 4.04Å; L231-F245 HydrophobicContact CG-CZ 4.48Å; I232-F245 HydrophobicContact CG1-CE1 4.38Å; I232-F245 HydrophobicContact CG1-CZ 4.11Å; H235-F245 HydrophobicContact CB-CB 3.94Å; H235-F245 HydrophobicContact CB-CD1 4.2Å; H235-F245 HydrophobicContact CB-CD2 4.24Å; H235-F245 HydrophobicContact CB-CG 3.87Å; H235-F245 AromaticContact CD2-CD2 3.81Å; H235-F245 AromaticContact CD2-CG 3.92Å; H235-F245 AromaticContact CG-CD2 3.69Å; H235-F245 AromaticContact CG-CG 3.77Å; H235-F245 AromaticContact ND1-CD2 3.84Å; K241-F245 WeakPolarHBondContact O-CB 3.37Å; K241-F245 PolarHBondContact O-N 2.99Å; F242-F245 WeakPolarHBondContact O-CB 3.36Å; F242-F245 PolarHBondContact O-N 3.48Å; F245-R247 VanDerWaalsContact C-N 3.34Å; F245-R247 PolarHBondContact O-N 2.77Å; F245-Q248 PolarHBondContact O-N 3.16Å; F245-Y249 AromaticContact CD2-CD2 3.61Å; F245-Y249 HydrophobicContact CD2-CD2 3.61Å; F245-Y249 AromaticContact CD2-CE2 3.79Å; F245-Y249 HydrophobicContact CD2-CE2 3.79Å; F245-Y249 AromaticContact CE2-CD2 3.64Å; F245-Y249 HydrophobicContact CE2-CD2 3.64Å; F245-Y249 AromaticContact CE2-CE2 3.89Å; F245-Y249 HydrophobicContact CE2-CE2 3.89Å; F245-Y249 HydrophobicContact CG-CD2 4.45Å; F245-Y249 WeakPolarHBondContact O-CD2 3.48Å; F245-Y249 PolarHBondContact O-N 3.45Å
246	V	94.1	Very high	88.7	Confident	9 Å²	9	90.6 Å²	90.6	6%	0.055	42%	0.418	C	S	.	.	H	α-helix	trans	-59.8	-46	177.3	176.2	0	0	0	0	110.4	L207 F242 H243 Q248 Y249 R250 F259	L207-V246 HydrophobicContact CD2-CG2 4.29Å; F242-V246 HydrophobicContact CD1-CG2 4.22Å; F242-V246 HydrophobicContact CE1-CG2 3.7Å; F242-V246 HydrophobicContact CE2-CG2 4.27Å; F242-V246 HydrophobicContact CZ-CG2 3.74Å; F242-V246 WeakPolarHBondContact O-CG2 3.36Å; F242-V246 PolarHBondContact O-N 2.79Å; H243-V246 PolarHBondContact O-N 3.23Å; V246-Q248 VanDerWaalsContact C-N 3.26Å; V246-Q248 PolarHBondContact O-N 2.86Å; V246-Y249 PolarHBondContact O-N 2.62Å; V246-R250 HydrophobicContact CG1-CB 4.14Å; V246-R250 WeakPolarHBondContact O-CA 3.32Å; V246-R250 WeakPolarHBondContact O-CB 3.39Å; V246-R250 PolarHBondContact O-N 3.29Å; V246-F259 HydrophobicContact CG1-CB 4.09Å; V246-F259 HydrophobicContact CG2-CD1 4.27Å
247	R	91.3	Very high	88.2	Confident	224 Å²	224	98.4 Å²	98.4	85%	0.845	46%	0.455	S	S	*	.	H	α-helix	trans	-62.1	-32.6	179.1	-176.3	176.4	174.9	-178.3	-1.1	113.4	H243 R244 F245	H243-R247 WeakPolarHBondContact O-CB 3.41Å; H243-R247 PolarHBondContact O-N 3.26Å; R244-R247 PolarHBondContact O-N 3.47Å; F245-R247 VanDerWaalsContact C-N 3.34Å; F245-R247 PolarHBondContact O-N 2.77Å
248	Q	91.8	Very high	88	Confident	116 Å²	116	98.7 Å²	98.7	54%	0.542	46%	0.456	S	S	.	.	H	α-helix	trans	-73.5	-43.4	-178	178.1	177.7	-15.6	0	0	112.5	R244 F245 V246	R244-Q248 WeakPolarHBondContact O-CB 3.26Å; R244-Q248 PolarHBondContact O-N 2.91Å; F245-Q248 PolarHBondContact O-N 3.16Å; V246-Q248 VanDerWaalsContact C-N 3.26Å; V246-Q248 PolarHBondContact O-N 2.86Å
249	Y	91.3	Very high	87.9	Confident	73 Å²	73	96 Å²	96	29%	0.286	44%	0.439	S	S	.	.	H	α-helix	trans	-104.3	-14.8	-170.8	-68.2	-75.9	0	0	0	114	V199 L203 F245 V246 P251	V199-Y249 HydrophobicContact CG1-CD1 3.53Å; V199-Y249 HydrophobicContact CG1-CE1 3.32Å; V199-Y249 HydrophobicContact CG1-CG 4.47Å; L203-Y249 HydrophobicContact CD2-CD1 3.85Å; L203-Y249 HydrophobicContact CD2-CD2 4Å; L203-Y249 HydrophobicContact CD2-CG 3.56Å; F245-Y249 AromaticContact CD2-CD2 3.61Å; F245-Y249 HydrophobicContact CD2-CD2 3.61Å; F245-Y249 AromaticContact CD2-CE2 3.79Å; F245-Y249 HydrophobicContact CD2-CE2 3.79Å; F245-Y249 AromaticContact CE2-CD2 3.64Å; F245-Y249 HydrophobicContact CE2-CD2 3.64Å; F245-Y249 AromaticContact CE2-CE2 3.89Å; F245-Y249 HydrophobicContact CE2-CE2 3.89Å; F245-Y249 HydrophobicContact CG-CD2 4.45Å; F245-Y249 WeakPolarHBondContact O-CD2 3.48Å; F245-Y249 PolarHBondContact O-N 3.45Å; V246-Y249 PolarHBondContact O-N 2.62Å; Y249-P251 WeakPolarHBondContact O-CD 3.33Å
250	R	87.5	Confident	88	Confident	47 Å²	47	94 Å²	94	18%	0.177	44%	0.435	C	S	.	.	S	Bend	trans	-78.1	127.7	-177.7	-170.1	172.3	-165	-140.5	-2.3	111	L207 V246 R256 Q257	L207-R250 HydrophobicContact CB-CB 4.24Å; L207-R250 HydrophobicContact CB-CG 4.07Å; L207-R250 HydrophobicContact CD1-CB 4.07Å; L207-R250 PolarHBondContact O-NE 2.86Å; V246-R250 HydrophobicContact CG1-CB 4.14Å; V246-R250 WeakPolarHBondContact O-CA 3.32Å; V246-R250 WeakPolarHBondContact O-CB 3.39Å; V246-R250 PolarHBondContact O-N 3.29Å; R250-R256 PolarHBondContact NH2-O 3.41Å; R250-Q257 PolarHBondContact NH1-O 3.22Å; R250-Q257 PolarHBondContact NH2-O 2.92Å
251	P	83.9	Confident	88	Confident	13 Å²	13	91.4 Å²	91.4	8%	0.084	41%	0.414	C	S	.	.			trans	-60	141.2	173.1	-23.9	35.6	0	0	0	112	N178 Y180 P204 L208 Y249 K253	N178-P251 HydrophobicContact CB-CB 4.36Å; Y180-P251 HydrophobicContact CD2-CB 4.4Å; Y180-P251 HydrophobicContact CD2-CG 3.72Å; Y180-P251 HydrophobicContact CE2-CB 3.65Å; Y180-P251 HydrophobicContact CE2-CG 3.07Å; P204-P251 HydrophobicContact CB-CG 4.08Å; L208-P251 HydrophobicContact CD1-CG 4.17Å; L208-P251 HydrophobicContact CD2-CG 4.44Å; L208-P251 HydrophobicContact CG-CG 4.32Å; Y249-P251 WeakPolarHBondContact O-CD 3.33Å; P251-K253 VanDerWaalsContact C-N 3.26Å; P251-K253 WeakPolarHBondContact CB-O 3.41Å; P251-K253 PolarHBondContact O-N 3.37Å
252	L	78.7	Confident	88	Confident	163 Å²	163	88.6 Å²	88.6	85%	0.853	41%	0.409	S	S	*	.	S	Bend	trans	-71.4	-23.7	177.7	-68.5	173.3	0	0	0	112.7
253	K	78.7	Confident	88	Confident	154 Å²	154	89.3 Å²	89.3	67%	0.67	41%	0.413	S	S	*	.			trans	-131.1	145.6	178	-67.7	-177.8	180	178.5	0	109.4	P251	P251-K253 VanDerWaalsContact C-N 3.26Å; P251-K253 WeakPolarHBondContact CB-O 3.41Å; P251-K253 PolarHBondContact O-N 3.37Å
254	P	72	Confident	88.1	Confident	66 Å²	66	84.9 Å²	84.9	43%	0.429	39%	0.392	S	S	.	.	S	Bend	cis	-71.3	151.9	-5.7	29.6	-34.4	0	0	0	112.4	R256	P254-R256 HydrophobicContact CG-CG 4.36Å; P254-R256 PolarHBondContact O-N 3Å
255	K	73.7	Confident	88.2	Confident	211 Å²	211	77.1 Å²	77.1	92%	0.917	36%	0.364	S	S	*	.			trans	-62.6	112	172.4	-87.3	-173.1	177.1	-179.6	0	108.9
256	R	77.3	Confident	88.2	Confident	95 Å²	95	83.9 Å²	83.9	36%	0.358	39%	0.39	S	S	.	.			trans	-125.5	161	173.4	-69.5	-170.6	179.2	-160.8	1.9	110.3	L208 E210 R250 P254	L208-R256 WeakPolarHBondContact O-CD 3.37Å; L208-R256 PolarHBondContact O-NH1 2.83Å; E210-R256 IonicContact OE1-CZ 3.47Å; E210-R256 IonicContact OE1-NH1 2.98Å; E210-R256 PolarHBondContact OE1-NH1 3.47Å; E210-R256 IonicContact OE1-NH2 2.73Å; E210-R256 PolarHBondContact OE1-NH2 3.41Å; R250-R256 PolarHBondContact NH2-O 3.41Å; P254-R256 HydrophobicContact CG-CG 4.36Å; P254-R256 PolarHBondContact O-N 3Å
257	Q	84.9	Confident	88.3	Confident	164 Å²	164	83.5 Å²	83.5	77%	0.766	39%	0.387	S	S	*	.			trans	-48.9	140.8	173.5	-173.5	-178.7	19.8	0	0	111.2	H209 R250	H209-Q257 PolarHBondContact NE2-O 2.98Å; R250-Q257 PolarHBondContact NH1-O 3.22Å; R250-Q257 PolarHBondContact NH2-O 2.92Å
258	E	86.4	Confident	88.7	Confident	134 Å²	134	72.8 Å²	72.8	63%	0.626	35%	0.347	S	S	*	.			trans	-51.6	138.4	-179.2	-166.8	169.6	-169.3	0	0	113.1	A260 N263	E258-A260 PolarHBondContact O-N 3.43Å; E258-N263 PolarHBondContact O-ND2 3.39Å
259	F	92.1	Very high	88.8	Confident	4 Å²	4	70.1 Å²	70.1	2%	0.018	33%	0.334	C	S	.	.			trans	-83.6	95.5	176.7	-164.6	-94.4	0	0	0	109.7	V206 L207 H209 F242 V246 N263 A264	V206-F259 HydrophobicContact CG1-CE1 4.47Å; V206-F259 HydrophobicContact CG1-CE2 4.22Å; V206-F259 HydrophobicContact CG1-CZ 3.71Å; V206-F259 WeakPolarHBondContact O-CD2 2.97Å; V206-F259 WeakPolarHBondContact O-CE2 3.43Å; L207-F259 HydrophobicContact CD2-CB 4.41Å; L207-F259 HydrophobicContact CD2-CD1 3.49Å; L207-F259 VanDerWaalsContact CD2-CD1 3.49Å; L207-F259 HydrophobicContact CD2-CE1 3.8Å; L207-F259 HydrophobicContact CD2-CG 3.92Å; L207-F259 HydrophobicContact CD2-CZ 4.48Å; H209-F259 AromaticContact CE1-CD2 3.9Å; H209-F259 AromaticContact ND1-CD2 3.99Å; F242-F259 WeakPolarHBondContact CE1-O 3.31Å; F242-F259 HydrophobicContact CZ-CD1 4.07Å; F242-F259 HydrophobicContact CZ-CE1 4.3Å; V246-F259 HydrophobicContact CG1-CB 4.09Å; V246-F259 HydrophobicContact CG2-CD1 4.27Å; F259-N263 HydrophobicContact CD1-CB 4.45Å; F259-N263 HydrophobicContact CD2-CB 3.88Å; F259-N263 HydrophobicContact CE1-CB 4.17Å; F259-N263 HydrophobicContact CE2-CB 3.54Å; F259-N263 HydrophobicContact CG-CB 4.33Å; F259-N263 HydrophobicContact CZ-CB 3.71Å; F259-A264 HydrophobicContact CE1-CB 3.89Å; F259-A264 HydrophobicContact CZ-CB 4.48Å
260	A	94	Very high	89	Confident	48 Å²	48	69.5 Å²	69.5	40%	0.397	34%	0.34	S	S	.	.			trans	-83.7	165.1	-178	0	0	0	0	0	112.9	F242 E258 G262 N263 A264	F242-A260 VanDerWaalsContact CE1-C 3.49Å; E258-A260 PolarHBondContact O-N 3.43Å; A260-G262 PolarHBondContact O-N 2.95Å; A260-N263 PolarHBondContact N-ND2 2.94Å; A260-N263 WeakPolarHBondContact O-CA 3.36Å; A260-N263 VanDerWaalsContact O-CB 3.29Å; A260-N263 WeakPolarHBondContact O-CB 3.23Å; A260-N263 PolarHBondContact O-N 3.47Å; A260-A264 PolarHBondContact O-N 3.4Å
261	I	95	Very high	89.5	Confident	32 Å²	32	67.2 Å²	67.2	16%	0.164	33%	0.331	C	S	.	.	H	α-helix	trans	-57.4	-36.7	179.2	-163.4	168.9	0	0	0	112.5	L236 L239 F242 N263 A264 E265	L236-I261 HydrophobicContact CD2-CD1 4.36Å; L236-I261 HydrophobicContact CD2-CG1 3.89Å; L236-I261 WeakPolarHBondContact O-CD1 3.46Å; L239-I261 HydrophobicContact CD1-CB 4.44Å; L239-I261 HydrophobicContact CD1-CD1 4.3Å; F242-I261 HydrophobicContact CD1-CB 4.12Å; F242-I261 HydrophobicContact CE1-CB 4.04Å; F242-I261 VanDerWaalsContact CE1-N 3.27Å; F242-I261 HydrophobicContact CZ-CB 4.38Å; I261-N263 PolarHBondContact O-N 2.92Å; I261-A264 WeakPolarHBondContact O-CB 3.49Å; I261-A264 PolarHBondContact O-N 3.38Å; I261-A264 VanDerWaalsContact O-N 3.13Å; I261-E265 WeakPolarHBondContact O-CG 3.47Å; I261-E265 PolarHBondContact O-N 3.44Å
262	G	94.8	Very high	90.1	Very high	25 Å²	25	66.7 Å²	66.7	26%	0.258	33%	0.328	S	S	.	.	H	α-helix	trans	-65.2	-22.6	176.1	0	0	0	0	0	113.8	A260 R266	A260-G262 PolarHBondContact O-N 2.95Å; G262-R266 WeakPolarHBondContact O-CB 3.33Å; G262-R266 WeakPolarHBondContact O-CG 3.29Å; G262-R266 PolarHBondContact O-N 2.88Å; G262-R266 VanDerWaalsContact O-N 3.16Å; G262-R266 PolarHBondContact O-NE 3.16Å
263	N	95.6	Very high	90.8	Very high	14 Å²	14	63.5 Å²	63.5	8%	0.075	31%	0.307	C	S	.	.	H	α-helix	trans	-77.4	-39.7	173.3	-55.3	-23.6	0	0	0	110.6	H209 E258 F259 A260 I261 R266 F267	H209-N263 PolarHBondContact CE1-ND2 2.98Å; E258-N263 PolarHBondContact O-ND2 3.39Å; F259-N263 HydrophobicContact CD1-CB 4.45Å; F259-N263 HydrophobicContact CD2-CB 3.88Å; F259-N263 HydrophobicContact CE1-CB 4.17Å; F259-N263 HydrophobicContact CE2-CB 3.54Å; F259-N263 HydrophobicContact CG-CB 4.33Å; F259-N263 HydrophobicContact CZ-CB 3.71Å; A260-N263 PolarHBondContact N-ND2 2.94Å; A260-N263 WeakPolarHBondContact O-CA 3.36Å; A260-N263 VanDerWaalsContact O-CB 3.29Å; A260-N263 WeakPolarHBondContact O-CB 3.23Å; A260-N263 PolarHBondContact O-N 3.47Å; I261-N263 PolarHBondContact O-N 2.92Å; N263-R266 PolarHBondContact O-N 3.5Å; N263-R266 VanDerWaalsContact OD1-CZ 3.32Å; N263-R266 PolarHBondContact OD1-NH1 3.36Å; N263-R266 PolarHBondContact OD1-NH2 3.13Å; N263-F267 PolarHBondContact O-N 3.42Å
264	A	97	Very high	91.5	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.2	-47.5	173.4	0	0	0	0	0	111.1	I232 L236 F242 F259 A260 I261 R266 F267 L268	I232-A264 HydrophobicContact CG2-CB 3.93Å; L236-A264 HydrophobicContact CD2-CB 3.94Å; F242-A264 HydrophobicContact CE2-CB 3.71Å; F242-A264 HydrophobicContact CZ-CB 3.86Å; F259-A264 HydrophobicContact CE1-CB 3.89Å; F259-A264 HydrophobicContact CZ-CB 4.48Å; A260-A264 PolarHBondContact O-N 3.4Å; I261-A264 WeakPolarHBondContact O-CB 3.49Å; I261-A264 PolarHBondContact O-N 3.38Å; I261-A264 VanDerWaalsContact O-N 3.13Å; A264-R266 VanDerWaalsContact C-N 3.33Å; A264-R266 PolarHBondContact O-N 2.96Å; A264-F267 WeakPolarHBondContact O-CB 3.32Å; A264-F267 PolarHBondContact O-N 2.89Å; A264-F267 VanDerWaalsContact O-N 3.16Å; A264-L268 WeakPolarHBondContact O-CG 3.3Å; A264-L268 PolarHBondContact O-N 3.35Å
265	E	96.2	Very high	92.6	Very high	26 Å²	26	60.5 Å²	60.5	12%	0.121	28%	0.284	C	S	.	.	H	α-helix	trans	-59.8	-41.3	176.7	-69.7	-175.4	163.1	0	0	112.2	I261 K269 F286 R289 R293	I261-E265 WeakPolarHBondContact O-CG 3.47Å; I261-E265 PolarHBondContact O-N 3.44Å; E265-K269 WeakPolarHBondContact O-CB 3.46Å; E265-K269 PolarHBondContact O-N 3.24Å; E265-F286 HydrophobicContact CB-CD2 4.01Å; E265-F286 HydrophobicContact CB-CE2 3.68Å; E265-F286 HydrophobicContact CG-CD2 3.78Å; E265-F286 HydrophobicContact CG-CE2 3.91Å; E265-R289 IonicContact OE1-CZ 2.69Å; E265-R289 IonicContact OE1-NE 2.71Å; E265-R289 PolarHBondContact OE1-NE 3.41Å; E265-R289 IonicContact OE1-NH2 3.6Å; E265-R289 PolarHBondContact OE1-NH2 2.94Å; E265-R293 IonicContact OE1-CZ 2.93Å; E265-R293 IonicContact OE1-NH1 2.99Å; E265-R293 PolarHBondContact OE1-NH1 3.46Å; E265-R293 IonicContact OE1-NH2 3.58Å; E265-R293 IonicContact OE2-CZ 2.75Å; E265-R293 IonicContact OE2-NH1 2.61Å; E265-R293 PolarHBondContact OE2-NH1 3.08Å; E265-R293 IonicContact OE2-NH2 3.36Å
266	R	95.8	Very high	93.5	Very high	144 Å²	144	59.7 Å²	59.7	54%	0.543	28%	0.28	S	S	.	.	H	α-helix	trans	-63.3	-42.6	173.8	-87.7	-177.6	-89.5	135.2	-5	112.4	G262 N263 A264 K269 S270	G262-R266 WeakPolarHBondContact O-CB 3.33Å; G262-R266 WeakPolarHBondContact O-CG 3.29Å; G262-R266 PolarHBondContact O-N 2.88Å; G262-R266 VanDerWaalsContact O-N 3.16Å; G262-R266 PolarHBondContact O-NE 3.16Å; N263-R266 PolarHBondContact O-N 3.5Å; N263-R266 VanDerWaalsContact OD1-CZ 3.32Å; N263-R266 PolarHBondContact OD1-NH1 3.36Å; N263-R266 PolarHBondContact OD1-NH2 3.13Å; A264-R266 VanDerWaalsContact C-N 3.33Å; A264-R266 PolarHBondContact O-N 2.96Å; R266-K269 PolarHBondContact O-N 3Å; R266-S270 WeakPolarHBondContact O-CB 3.37Å; R266-S270 PolarHBondContact O-N 3.22Å; R266-S270 PolarHBondContact O-OG 3.08Å; R266-S270 VanDerWaalsContact O-OG 3.13Å
267	F	97.4	Very high	94.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.7	-50.6	176.6	174.7	-103.3	0	0	0	111.6	V206 Q211 A214 L215 L228 L229 I232 N263 A264 K269 S270 A271	V206-F267 HydrophobicContact CG1-CB 4.26Å; V206-F267 HydrophobicContact CG1-CD1 3.86Å; V206-F267 HydrophobicContact CG1-CD2 4.05Å; V206-F267 HydrophobicContact CG1-CE1 4.21Å; V206-F267 HydrophobicContact CG1-CE2 4.39Å; V206-F267 HydrophobicContact CG1-CG 3.76Å; V206-F267 HydrophobicContact CG1-CZ 4.47Å; V206-F267 HydrophobicContact CG2-CD1 4.23Å; V206-F267 HydrophobicContact CG2-CD2 3.92Å; V206-F267 HydrophobicContact CG2-CE1 3.79Å; V206-F267 HydrophobicContact CG2-CE2 3.43Å; V206-F267 VanDerWaalsContact CG2-CE2 3.43Å; V206-F267 HydrophobicContact CG2-CG 4.29Å; V206-F267 HydrophobicContact CG2-CZ 3.36Å; Q211-F267 HydrophobicContact CB-CD2 4.05Å; Q211-F267 HydrophobicContact CG-CD2 3.93Å; A214-F267 HydrophobicContact CB-CE2 4.46Å; L215-F267 HydrophobicContact CD2-CE2 3.65Å; L215-F267 HydrophobicContact CD2-CZ 3.92Å; L215-F267 HydrophobicContact CG-CE2 3.96Å; L228-F267 HydrophobicContact CD2-CE1 4.29Å; L228-F267 HydrophobicContact CD2-CZ 4.17Å; L229-F267 HydrophobicContact CD2-CD1 4.37Å; L229-F267 HydrophobicContact CD2-CE1 3.8Å; I232-F267 HydrophobicContact CD1-CD1 3.76Å; I232-F267 HydrophobicContact CD1-CE1 3.69Å; N263-F267 PolarHBondContact O-N 3.42Å; A264-F267 WeakPolarHBondContact O-CB 3.32Å; A264-F267 PolarHBondContact O-N 2.89Å; A264-F267 VanDerWaalsContact O-N 3.16Å; F267-K269 VanDerWaalsContact C-N 3.31Å; F267-K269 PolarHBondContact O-N 2.77Å; F267-S270 PolarHBondContact O-N 3.31Å; F267-A271 WeakPolarHBondContact O-CB 3.44Å; F267-A271 PolarHBondContact O-N 3.38Å
268	L	97.9	Very high	94.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-55.5	-47.3	176.2	-68.6	174.2	0	0	0	110.6	L229 I232 D233 L236 A264 S270 A271 I272 A283 F286	L229-L268 HydrophobicContact CB-CD2 4.04Å; L229-L268 HydrophobicContact CD2-CD2 3.6Å; L229-L268 HydrophobicContact CG-CD2 4.39Å; I232-L268 HydrophobicContact CB-CD2 4.34Å; I232-L268 HydrophobicContact CG2-CD1 4.28Å; I232-L268 HydrophobicContact CG2-CD2 4.25Å; I232-L268 HydrophobicContact CG2-CG 4.28Å; D233-L268 HydrophobicContact CB-CD1 4.47Å; L236-L268 HydrophobicContact CD1-CD1 3.82Å; A264-L268 WeakPolarHBondContact O-CG 3.3Å; A264-L268 PolarHBondContact O-N 3.35Å; L268-S270 PolarHBondContact O-N 3.07Å; L268-A271 PolarHBondContact O-N 3.19Å; L268-I272 HydrophobicContact CB-CD1 4.43Å; L268-I272 WeakPolarHBondContact O-CB 3.19Å; L268-I272 WeakPolarHBondContact O-CD1 3.34Å; L268-I272 WeakPolarHBondContact O-CG1 3.41Å; L268-I272 PolarHBondContact O-N 2.85Å; L268-A283 HydrophobicContact CD1-CB 4.43Å; L268-A283 HydrophobicContact CD2-CB 4.41Å; L268-F286 HydrophobicContact CB-CD1 4.08Å; L268-F286 HydrophobicContact CB-CE1 4.32Å; L268-F286 HydrophobicContact CB-CG 4.37Å; L268-F286 HydrophobicContact CD1-CB 3.78Å; L268-F286 HydrophobicContact CD1-CD1 4.45Å; L268-F286 HydrophobicContact CD1-CG 4.01Å
269	K	95.7	Very high	95.3	Very high	60 Å²	60	47 Å²	47	26%	0.261	23%	0.229	S	C	.	.	H	α-helix	trans	-58.6	-49.1	178.1	-175	176	-179.1	-176.8	0	112.4	E265 R266 F267 K273 F286 F431 E434	E265-K269 WeakPolarHBondContact O-CB 3.46Å; E265-K269 PolarHBondContact O-N 3.24Å; R266-K269 PolarHBondContact O-N 3Å; F267-K269 VanDerWaalsContact C-N 3.31Å; F267-K269 PolarHBondContact O-N 2.77Å; K269-K273 HydrophobicContact CG-CD 4.48Å; K269-K273 WeakPolarHBondContact O-CB 3.39Å; K269-K273 WeakPolarHBondContact O-CG 3.17Å; K269-K273 PolarHBondContact O-N 3.1Å; K269-F286 HydrophobicContact CB-CE1 4.24Å; K269-F286 HydrophobicContact CB-CZ 3.95Å; K269-F431 HydrophobicContact CB-CE2 4.21Å; K269-F431 HydrophobicContact CG-CE2 3.85Å; K269-F431 HydrophobicContact CG-CZ 4.5Å; K269-E434 VanDerWaalsContact NZ-CD 3.25Å; K269-E434 IonicContact NZ-OE1 3.88Å; K269-E434 PolarHBondContact NZ-OE1 3.19Å; K269-E434 IonicContact NZ-OE2 3.12Å; K269-E434 PolarHBondContact NZ-OE2 2.89Å
270	S	95	Very high	95.4	Very high	59 Å²	59	49.6 Å²	49.6	41%	0.413	25%	0.248	S	C	.	.	H	α-helix	trans	-63.1	-43.5	179.8	-68.2	0	0	0	0	112.1	R266 F267 L268 R274	R266-S270 WeakPolarHBondContact O-CB 3.37Å; R266-S270 PolarHBondContact O-N 3.22Å; R266-S270 PolarHBondContact O-OG 3.08Å; R266-S270 VanDerWaalsContact O-OG 3.13Å; F267-S270 PolarHBondContact O-N 3.31Å; L268-S270 PolarHBondContact O-N 3.07Å; S270-R274 WeakPolarHBondContact O-CB 3.36Å; S270-R274 PolarHBondContact O-N 2.65Å
271	A	97	Very high	95.5	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.5	-51.2	178.4	0	0	0	0	0	111.5	L215 L229 F267 L268 K273 R274 F275	L215-A271 HydrophobicContact CD2-CB 3.68Å; L229-A271 HydrophobicContact CD1-CB 4.19Å; L229-A271 HydrophobicContact CD2-CB 3.6Å; F267-A271 WeakPolarHBondContact O-CB 3.44Å; F267-A271 PolarHBondContact O-N 3.38Å; L268-A271 PolarHBondContact O-N 3.19Å; A271-K273 VanDerWaalsContact C-N 3.34Å; A271-K273 PolarHBondContact O-N 3.26Å; A271-R274 PolarHBondContact O-N 2.77Å; A271-F275 WeakPolarHBondContact O-CD2 3.42Å; A271-F275 PolarHBondContact O-N 2.83Å
272	I	96.8	Very high	95.6	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-42.9	-177.9	-65.8	167.3	0	0	0	110.8	L229 L268 K276 L277 V279 V282 A283 F286 F431	L229-I272 HydrophobicContact CD1-CG1 4.22Å; L268-I272 HydrophobicContact CB-CD1 4.43Å; L268-I272 WeakPolarHBondContact O-CB 3.19Å; L268-I272 WeakPolarHBondContact O-CD1 3.34Å; L268-I272 WeakPolarHBondContact O-CG1 3.41Å; L268-I272 PolarHBondContact O-N 2.85Å; I272-K276 WeakPolarHBondContact O-CA 3.41Å; I272-K276 PolarHBondContact O-N 3.1Å; I272-L277 HydrophobicContact CG2-CB 4.32Å; I272-L277 VanDerWaalsContact CG2-O 3.32Å; I272-L277 WeakPolarHBondContact CG2-O 3.38Å; I272-L277 PolarHBondContact O-N 3.2Å; I272-V279 HydrophobicContact CD1-CB 4.44Å; I272-V279 HydrophobicContact CD1-CG2 4Å; I272-V279 HydrophobicContact CG2-CB 4.26Å; I272-V282 HydrophobicContact CD1-CG2 3.9Å; I272-V282 HydrophobicContact CG1-CG2 3.8Å; I272-A283 HydrophobicContact CD1-CB 3.74Å; I272-F286 HydrophobicContact CD1-CD1 4.34Å; I272-F431 HydrophobicContact CB-CE2 4.33Å; I272-F431 HydrophobicContact CB-CZ 3.8Å; I272-F431 HydrophobicContact CG2-CE1 3.66Å; I272-F431 HydrophobicContact CG2-CE2 4.2Å; I272-F431 HydrophobicContact CG2-CZ 3.42Å; I272-F431 VanDerWaalsContact CG2-CZ 3.42Å
273	K	93.3	Very high	95.8	Very high	95 Å²	95	50.5 Å²	50.5	41%	0.413	24%	0.237	S	C	.	.	H	α-helix	trans	-65.5	-47.9	175.7	-74.3	-165.7	177.3	-168.3	0	112.1	K269 A271 F275 K276 F431 E434	K269-K273 HydrophobicContact CG-CD 4.48Å; K269-K273 WeakPolarHBondContact O-CB 3.39Å; K269-K273 WeakPolarHBondContact O-CG 3.17Å; K269-K273 PolarHBondContact O-N 3.1Å; A271-K273 VanDerWaalsContact C-N 3.34Å; A271-K273 PolarHBondContact O-N 3.26Å; K273-F275 VanDerWaalsContact C-N 3.34Å; K273-F275 PolarHBondContact O-N 2.87Å; K273-K276 PolarHBondContact O-N 3.26Å; K273-F431 HydrophobicContact CG-CE1 4.33Å; K273-F431 HydrophobicContact CG-CZ 3.77Å; K273-E434 IonicContact NZ-OE2 2.78Å; K273-E434 PolarHBondContact NZ-OE2 3.18Å
274	R	93.9	Very high	95.8	Very high	115 Å²	115	52.9 Å²	52.9	43%	0.434	25%	0.253	S	S	.	.	H	α-helix	trans	-60.5	-44	-177.6	178.1	173	176.8	164.8	-2.8	111.9	E219 S270 A271	E219-R274 VanDerWaalsContact CD-NH2 3.28Å; E219-R274 IonicContact OE1-CZ 3.49Å; E219-R274 IonicContact OE1-NE 3.51Å; E219-R274 IonicContact OE1-NH2 2.78Å; E219-R274 PolarHBondContact OE1-NH2 3.4Å; E219-R274 IonicContact OE2-NH2 2.62Å; E219-R274 PolarHBondContact OE2-NH2 3.39Å; S270-R274 WeakPolarHBondContact O-CB 3.36Å; S270-R274 PolarHBondContact O-N 2.65Å; A271-R274 PolarHBondContact O-N 2.77Å
275	F	94.9	Very high	95.7	Very high	43 Å²	43	56.1 Å²	56.1	19%	0.189	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	7.3	-175.1	-65.7	-82.3	0	0	0	113.6	L215 E219 L225 A271 K273 L277	L215-F275 HydrophobicContact CB-CE2 4.31Å; L215-F275 HydrophobicContact CD2-CE2 3.99Å; E219-F275 HydrophobicContact CB-CE1 4.4Å; E219-F275 HydrophobicContact CB-CZ 4.32Å; E219-F275 HydrophobicContact CG-CE1 4.16Å; E219-F275 HydrophobicContact CG-CZ 4.37Å; L225-F275 HydrophobicContact CD2-CB 4Å; L225-F275 HydrophobicContact CD2-CD1 3.93Å; L225-F275 HydrophobicContact CD2-CD2 3.49Å; L225-F275 VanDerWaalsContact CD2-CD2 3.49Å; L225-F275 HydrophobicContact CD2-CE1 4.27Å; L225-F275 HydrophobicContact CD2-CE2 3.88Å; L225-F275 HydrophobicContact CD2-CG 3.53Å; L225-F275 HydrophobicContact CD2-CZ 4.25Å; A271-F275 WeakPolarHBondContact O-CD2 3.42Å; A271-F275 PolarHBondContact O-N 2.83Å; K273-F275 VanDerWaalsContact C-N 3.34Å; K273-F275 PolarHBondContact O-N 2.87Å; F275-L277 HydrophobicContact CB-CD1 4.11Å; F275-L277 HydrophobicContact CB-CD2 4.25Å; F275-L277 HydrophobicContact CB-CG 3.84Å; F275-L277 PolarHBondContact O-N 3.01Å
276	K	93.6	Very high	95.8	Very high	193 Å²	193	55.1 Å²	55.1	84%	0.839	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	42.7	178.8	-57.3	-178.3	-178.1	178.5	0	113.2	I272 K273	I272-K276 WeakPolarHBondContact O-CA 3.41Å; I272-K276 PolarHBondContact O-N 3.1Å; K273-K276 PolarHBondContact O-N 3.26Å
277	L	95.2	Very high	95.8	Very high	36 Å²	36	49.7 Å²	49.7	19%	0.188	25%	0.247	C	C	.	.			trans	-82.4	153.8	-177.2	-58.5	175.1	0	0	0	111.3	L225 T226 L229 I272 F275 V279 V282	L225-L277 HydrophobicContact CD2-CD1 4.08Å; L225-L277 HydrophobicContact CG-CD1 4.45Å; T226-L277 HydrophobicContact CG2-CD1 4.39Å; L229-L277 HydrophobicContact CD1-CD1 3.51Å; I272-L277 HydrophobicContact CG2-CB 4.32Å; I272-L277 VanDerWaalsContact CG2-O 3.32Å; I272-L277 WeakPolarHBondContact CG2-O 3.38Å; I272-L277 PolarHBondContact O-N 3.2Å; F275-L277 HydrophobicContact CB-CD1 4.11Å; F275-L277 HydrophobicContact CB-CD2 4.25Å; F275-L277 HydrophobicContact CB-CG 3.84Å; F275-L277 PolarHBondContact O-N 3.01Å; L277-V279 PolarHBondContact O-N 3.27Å; L277-V282 HydrophobicContact CB-CG1 4.45Å; L277-V282 HydrophobicContact CB-CG2 4.21Å; L277-V282 HydrophobicContact CD1-CG2 4.5Å
278	N	94.7	Very high	95.7	Very high	75 Å²	75	53.7 Å²	53.7	40%	0.401	26%	0.262	S	S	.	.			trans	-75.1	111.5	170.9	-175.6	-15.4	0	0	0	110	S280 E281 V282	N278-S280 VanDerWaalsContact C-N 3.26Å; N278-S280 PolarHBondContact O-N 3.34Å; N278-S280 PolarHBondContact OD1-N 2.89Å; N278-E281 HydrophobicContact CB-CB 4.15Å; N278-E281 HydrophobicContact CB-CG 4.01Å; N278-E281 PolarHBondContact ND2-OE1 2.98Å; N278-E281 PolarHBondContact O-N 3.26Å; N278-E281 VanDerWaalsContact O-N 3.1Å; N278-V282 WeakPolarHBondContact O-CG2 3.46Å; N278-V282 PolarHBondContact O-N 3.27Å
279	V	95.7	Very high	95.6	Very high	15 Å²	15	57.3 Å²	57.3	9%	0.091	28%	0.276	C	S	.	.	H	α-helix	trans	-56.1	-39.1	-178.8	66.1	0	0	0	0	112.3	I272 L277 E281 V282 A283 F286 E287 F431	I272-V279 HydrophobicContact CD1-CB 4.44Å; I272-V279 HydrophobicContact CD1-CG2 4Å; I272-V279 HydrophobicContact CG2-CB 4.26Å; L277-V279 PolarHBondContact O-N 3.27Å; V279-E281 PolarHBondContact O-N 3.21Å; V279-V282 PolarHBondContact O-N 3.42Å; V279-A283 CarbonylContact O-C 3.5Å; V279-A283 WeakPolarHBondContact O-CA 3.42Å; V279-A283 PolarHBondContact O-N 3.46Å; V279-F286 HydrophobicContact CG2-CD1 4.28Å; V279-E287 HydrophobicContact CG1-CG 4.2Å; V279-E287 HydrophobicContact CG2-CB 3.93Å; V279-E287 HydrophobicContact CG2-CG 4.43Å; V279-F431 HydrophobicContact CB-CB 4.44Å; V279-F431 HydrophobicContact CB-CD1 4.14Å; V279-F431 HydrophobicContact CB-CG 4.16Å; V279-F431 HydrophobicContact CG1-CB 4.12Å; V279-F431 HydrophobicContact CG1-CD1 4.23Å; V279-F431 HydrophobicContact CG1-CG 4.28Å; V279-F431 HydrophobicContact CG2-CB 4.13Å; V279-F431 HydrophobicContact CG2-CD1 4.43Å; V279-F431 HydrophobicContact CG2-CD2 4.11Å; V279-F431 HydrophobicContact CG2-CG 3.97Å
280	S	94.3	Very high	95.5	Very high	59 Å²	59	55.1 Å²	55.1	41%	0.413	27%	0.268	S	S	.	.	H	α-helix	trans	-68	-25.9	-178.1	-52.1	0	0	0	0	112.6	N278 E287	N278-S280 VanDerWaalsContact C-N 3.26Å; N278-S280 PolarHBondContact O-N 3.34Å; N278-S280 PolarHBondContact OD1-N 2.89Å; S280-E287 VanDerWaalsContact CA-OE2 3.29Å; S280-E287 WeakPolarHBondContact CA-OE2 3.5Å; S280-E287 VanDerWaalsContact CB-OE2 3.3Å; S280-E287 WeakPolarHBondContact CB-OE2 3.45Å; S280-E287 VanDerWaalsContact OG-CD 3.29Å; S280-E287 PolarHBondContact OG-OE1 3.07Å; S280-E287 PolarHBondContact OG-OE2 3.41Å
281	E	96.1	Very high	95.6	Very high	121 Å²	121	52.6 Å²	52.6	57%	0.565	25%	0.25	S	C	*	.	H	α-helix	trans	-87.4	-31	-179.5	-70.1	174.2	-153.6	0	0	113.6	R230 N278 V279	R230-E281 PolarHBondContact NE-O 2.98Å; R230-E281 PolarHBondContact NH2-O 3.39Å; N278-E281 HydrophobicContact CB-CB 4.15Å; N278-E281 HydrophobicContact CB-CG 4.01Å; N278-E281 PolarHBondContact ND2-OE1 2.98Å; N278-E281 PolarHBondContact O-N 3.26Å; N278-E281 VanDerWaalsContact O-N 3.1Å; V279-E281 PolarHBondContact O-N 3.21Å
282	V	97.2	Very high	95.5	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.024	26%	0.257	C	S	.	.	H	α-helix	trans	-109.5	-24.9	-172.6	-53.9	0	0	0	0	113.4	T226 L229 R230 I272 L277 N278 V279	T226-V282 HydrophobicContact CG2-CG1 3.89Å; L229-V282 CarbonylContact C-O 3.54Å; L229-V282 HydrophobicContact CB-CB 4.38Å; L229-V282 HydrophobicContact CD1-CB 4.36Å; L229-V282 HydrophobicContact CD1-CG2 4.07Å; R230-V282 WeakPolarHBondContact CG-O 3.4Å; R230-V282 PolarHBondContact N-O 3.27Å; I272-V282 HydrophobicContact CD1-CG2 3.9Å; I272-V282 HydrophobicContact CG1-CG2 3.8Å; L277-V282 HydrophobicContact CB-CG1 4.45Å; L277-V282 HydrophobicContact CB-CG2 4.21Å; L277-V282 HydrophobicContact CD1-CG2 4.5Å; N278-V282 WeakPolarHBondContact O-CG2 3.46Å; N278-V282 PolarHBondContact O-N 3.27Å; V279-V282 PolarHBondContact O-N 3.42Å
283	A	97.8	Very high	95.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.274	C	S	.	.			trans	-149.5	59.3	-177	0	0	0	0	0	113.6	D233 L268 I272 V279 N285 F286 E287	D233-A283 HydrophobicContact CB-CB 4.08Å; D233-A283 VanDerWaalsContact CG-C 3.5Å; D233-A283 VanDerWaalsContact OD1-C 3.28Å; D233-A283 WeakPolarHBondContact OD1-CA 3.34Å; L268-A283 HydrophobicContact CD1-CB 4.43Å; L268-A283 HydrophobicContact CD2-CB 4.41Å; I272-A283 HydrophobicContact CD1-CB 3.74Å; V279-A283 CarbonylContact O-C 3.5Å; V279-A283 WeakPolarHBondContact O-CA 3.42Å; V279-A283 PolarHBondContact O-N 3.46Å; A283-N285 VanDerWaalsContact C-N 3.34Å; A283-N285 PolarHBondContact O-N 2.91Å; A283-F286 HydrophobicContact CB-CB 4.01Å; A283-F286 HydrophobicContact CB-CD1 4.34Å; A283-F286 PolarHBondContact O-N 3.24Å; A283-E287 PolarHBondContact O-N 3.16Å
284	P	96.1	Very high	95.5	Very high	64 Å²	64	54.4 Å²	54.4	42%	0.416	26%	0.261	S	S	.	.	H	α-helix	trans	-64.4	-30.9	-177.4	25.7	-35.4	0	0	0	114.1	D233 E287 Y288	D233-P284 WeakPolarHBondContact OD2-CD 3.38Å; P284-E287 PolarHBondContact O-N 2.95Å; P284-Y288 WeakPolarHBondContact O-CB 3.46Å; P284-Y288 PolarHBondContact O-N 3.06Å
285	N	96.3	Very high	95.6	Very high	67 Å²	67	49 Å²	49	36%	0.358	24%	0.24	S	C	.	.	H	α-helix	trans	-71.2	-39.5	177.9	-63.8	-72.9	0	0	0	111.1	D233 A283 Y288 R289	D233-N285 PolarHBondContact O-ND2 2.95Å; D233-N285 WeakPolarHBondContact OD1-CB 3.41Å; D233-N285 PolarHBondContact OD1-N 3.3Å; D233-N285 WeakPolarHBondContact OD2-CB 3.36Å; D233-N285 PolarHBondContact OD2-N 3.48Å; D233-N285 PolarHBondContact OD2-ND2 3.49Å; A283-N285 VanDerWaalsContact C-N 3.34Å; A283-N285 PolarHBondContact O-N 2.91Å; N285-Y288 PolarHBondContact O-N 2.94Å; N285-R289 VanDerWaalsContact O-CG 3.26Å; N285-R289 WeakPolarHBondContact O-CG 3.37Å; N285-R289 PolarHBondContact O-N 3.5Å
286	F	97.1	Very high	95.7	Very high	5 Å²	5	50.5 Å²	50.5	2%	0.022	25%	0.248	C	C	.	.	H	α-helix	trans	-62.7	-43.4	172.7	172.2	-122.2	0	0	0	111.5	D233 L236 E265 L268 K269 I272 V279 A283 R289 C290 F431	D233-F286 WeakPolarHBondContact OD1-CB 3.29Å; D233-F286 PolarHBondContact OD1-N 2.85Å; L236-F286 HydrophobicContact CD1-CB 3.75Å; E265-F286 HydrophobicContact CB-CD2 4.01Å; E265-F286 HydrophobicContact CB-CE2 3.68Å; E265-F286 HydrophobicContact CG-CD2 3.78Å; E265-F286 HydrophobicContact CG-CE2 3.91Å; L268-F286 HydrophobicContact CB-CD1 4.08Å; L268-F286 HydrophobicContact CB-CE1 4.32Å; L268-F286 HydrophobicContact CB-CG 4.37Å; L268-F286 HydrophobicContact CD1-CB 3.78Å; L268-F286 HydrophobicContact CD1-CD1 4.45Å; L268-F286 HydrophobicContact CD1-CG 4.01Å; K269-F286 HydrophobicContact CB-CE1 4.24Å; K269-F286 HydrophobicContact CB-CZ 3.95Å; I272-F286 HydrophobicContact CD1-CD1 4.34Å; V279-F286 HydrophobicContact CG2-CD1 4.28Å; A283-F286 HydrophobicContact CB-CB 4.01Å; A283-F286 HydrophobicContact CB-CD1 4.34Å; A283-F286 PolarHBondContact O-N 3.24Å; F286-R289 PolarHBondContact O-N 3.3Å; F286-C290 WeakPolarHBondContact CE2-SG 3.4Å; F286-C290 VanDerWaalsContact CZ-SG 3.56Å; F286-C290 PolarHBondContact O-N 3.33Å; F286-C290 PolarHBondContact O-SG 2.88Å; F286-C290 VanDerWaalsContact O-SG 3.36Å; F286-F431 HydrophobicContact CD1-CD2 4.42Å; F286-F431 AromaticContact CE1-CD2 3.54Å; F286-F431 HydrophobicContact CE1-CD2 3.54Å; F286-F431 AromaticContact CE1-CE2 3.73Å; F286-F431 HydrophobicContact CE1-CE2 3.73Å; F286-F431 HydrophobicContact CZ-CD2 4.17Å; F286-F431 HydrophobicContact CZ-CE2 4.42Å
287	E	95.6	Very high	95.8	Very high	31 Å²	31	46.9 Å²	46.9	15%	0.145	23%	0.23	C	C	.	.	H	α-helix	trans	-56.5	-51.6	173.5	-172.7	176.5	-160.1	0	0	111	V279 S280 A283 P284 R289 C290 L291	V279-E287 HydrophobicContact CG1-CG 4.2Å; V279-E287 HydrophobicContact CG2-CB 3.93Å; V279-E287 HydrophobicContact CG2-CG 4.43Å; S280-E287 VanDerWaalsContact CA-OE2 3.29Å; S280-E287 WeakPolarHBondContact CA-OE2 3.5Å; S280-E287 VanDerWaalsContact CB-OE2 3.3Å; S280-E287 WeakPolarHBondContact CB-OE2 3.45Å; S280-E287 VanDerWaalsContact OG-CD 3.29Å; S280-E287 PolarHBondContact OG-OE1 3.07Å; S280-E287 PolarHBondContact OG-OE2 3.41Å; A283-E287 PolarHBondContact O-N 3.16Å; P284-E287 PolarHBondContact O-N 2.95Å; E287-R289 VanDerWaalsContact C-N 3.27Å; E287-R289 PolarHBondContact O-N 2.95Å; E287-C290 WeakPolarHBondContact O-CA 3.37Å; E287-C290 WeakPolarHBondContact O-CB 3.41Å; E287-C290 PolarHBondContact O-N 3.41Å; E287-L291 HydrophobicContact CG-CD1 4.23Å; E287-L291 HydrophobicContact CG-CG 4.49Å; E287-L291 WeakPolarHBondContact O-CG 3.45Å; E287-L291 PolarHBondContact O-N 3.49Å
288	Y	95.4	Very high	95.9	Very high	84 Å²	84	45.5 Å²	45.5	33%	0.329	22%	0.222	S	C	.	.	H	α-helix	trans	-56.2	-42	177.9	-176.5	-99.3	0	0	0	112.1	P284 N285 C290 L291 V292 L327	P284-Y288 WeakPolarHBondContact O-CB 3.46Å; P284-Y288 PolarHBondContact O-N 3.06Å; N285-Y288 PolarHBondContact O-N 2.94Å; Y288-C290 PolarHBondContact O-N 2.89Å; Y288-L291 WeakPolarHBondContact O-CB 3.48Å; Y288-L291 PolarHBondContact O-N 3.26Å; Y288-V292 HydrophobicContact CD1-CG2 4.03Å; Y288-V292 HydrophobicContact CE1-CG2 3.58Å; Y288-V292 HydrophobicContact CE2-CG2 4.44Å; Y288-V292 WeakPolarHBondContact O-CB 3.32Å; Y288-V292 WeakPolarHBondContact O-CG2 3.42Å; Y288-V292 PolarHBondContact O-N 2.94Å; Y288-L327 HydrophobicContact CD2-CD2 4.26Å; Y288-L327 HydrophobicContact CE2-CD2 3.77Å
289	R	95.1	Very high	96	Very high	75 Å²	75	42.1 Å²	42.1	28%	0.283	20%	0.204	S	C	.	.	H	α-helix	trans	-64.9	-38.1	176.1	-71	176.7	68.4	77.9	7.5	112.7	E265 N285 F286 E287 L291 R293	E265-R289 IonicContact OE1-CZ 2.69Å; E265-R289 IonicContact OE1-NE 2.71Å; E265-R289 PolarHBondContact OE1-NE 3.41Å; E265-R289 IonicContact OE1-NH2 3.6Å; E265-R289 PolarHBondContact OE1-NH2 2.94Å; N285-R289 VanDerWaalsContact O-CG 3.26Å; N285-R289 WeakPolarHBondContact O-CG 3.37Å; N285-R289 PolarHBondContact O-N 3.5Å; F286-R289 PolarHBondContact O-N 3.3Å; E287-R289 VanDerWaalsContact C-N 3.27Å; E287-R289 PolarHBondContact O-N 2.95Å; R289-L291 VanDerWaalsContact C-N 3.35Å; R289-R293 WeakPolarHBondContact O-CG 3.39Å; R289-R293 PolarHBondContact O-N 3.45Å; R289-R293 VanDerWaalsContact O-N 3.08Å
290	C	95.1	Very high	96	Very high	15 Å²	15	46 Å²	46	10%	0.101	22%	0.22	C	C	.	.	H	α-helix	trans	-63.1	-42.4	172.5	-68.9	0	0	0	0	111.5	F286 E287 Y288 R293 G294	F286-C290 WeakPolarHBondContact CE2-SG 3.4Å; F286-C290 VanDerWaalsContact CZ-SG 3.56Å; F286-C290 PolarHBondContact O-N 3.33Å; F286-C290 PolarHBondContact O-SG 2.88Å; F286-C290 VanDerWaalsContact O-SG 3.36Å; E287-C290 WeakPolarHBondContact O-CA 3.37Å; E287-C290 WeakPolarHBondContact O-CB 3.41Å; E287-C290 PolarHBondContact O-N 3.41Å; Y288-C290 PolarHBondContact O-N 2.89Å; C290-R293 PolarHBondContact O-N 2.99Å; C290-R293 PolarHBondContact SG-NH2 3.37Å; C290-G294 PolarHBondContact O-N 3.37Å; C290-G294 VanDerWaalsContact O-N 3.08Å
291	L	95.7	Very high	96.1	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-63.2	-47.2	177.6	-68.2	171.1	0	0	0	111.8	E287 Y288 R289 R293 G294 V295 Y324 L327 I429	E287-L291 HydrophobicContact CG-CD1 4.23Å; E287-L291 HydrophobicContact CG-CG 4.49Å; E287-L291 WeakPolarHBondContact O-CG 3.45Å; E287-L291 PolarHBondContact O-N 3.49Å; Y288-L291 WeakPolarHBondContact O-CB 3.48Å; Y288-L291 PolarHBondContact O-N 3.26Å; R289-L291 VanDerWaalsContact C-N 3.35Å; L291-R293 VanDerWaalsContact C-N 3.32Å; L291-R293 PolarHBondContact O-N 3.37Å; L291-G294 WeakPolarHBondContact O-CA 3.49Å; L291-G294 PolarHBondContact O-N 3.43Å; L291-V295 PolarHBondContact O-N 2.89Å; L291-Y324 HydrophobicContact CD1-CD1 3.61Å; L291-Y324 HydrophobicContact CD1-CE1 3.93Å; L291-Y324 HydrophobicContact CD1-CG 3.95Å; L291-Y324 HydrophobicContact CD2-CD1 4.1Å; L291-Y324 HydrophobicContact CD2-CD2 3.84Å; L291-Y324 HydrophobicContact CD2-CE1 3.9Å; L291-Y324 HydrophobicContact CD2-CE2 3.63Å; L291-Y324 HydrophobicContact CD2-CG 4.07Å; L291-L327 HydrophobicContact CB-CD1 3.82Å; L291-L327 HydrophobicContact CB-CD2 3.96Å; L291-L327 HydrophobicContact CB-CG 4.37Å; L291-L327 HydrophobicContact CD1-CD1 4.48Å; L291-I429 HydrophobicContact CD2-CD1 3.52Å; L291-I429 HydrophobicContact CD2-CG1 3.75Å
292	V	95.7	Very high	96	Very high	25 Å²	25	37.6 Å²	37.6	15%	0.152	17%	0.174	C	C	.	.	H	α-helix	trans	-55.9	-44.2	175.1	159.7	0	0	0	0	111.8	Y288 G294 V295 H296 L327 F330	Y288-V292 HydrophobicContact CD1-CG2 4.03Å; Y288-V292 HydrophobicContact CE1-CG2 3.58Å; Y288-V292 HydrophobicContact CE2-CG2 4.44Å; Y288-V292 WeakPolarHBondContact O-CB 3.32Å; Y288-V292 WeakPolarHBondContact O-CG2 3.42Å; Y288-V292 PolarHBondContact O-N 2.94Å; V292-G294 VanDerWaalsContact C-N 3.33Å; V292-G294 PolarHBondContact O-N 3.3Å; V292-V295 PolarHBondContact O-N 3.25Å; V292-H296 PolarHBondContact O-N 3.23Å; V292-L327 HydrophobicContact CG2-CD2 3.95Å; V292-F330 HydrophobicContact CB-CE1 4.29Å; V292-F330 HydrophobicContact CB-CZ 4.3Å; V292-F330 HydrophobicContact CG1-CE1 3.99Å; V292-F330 HydrophobicContact CG1-CE2 3.99Å; V292-F330 HydrophobicContact CG1-CZ 3.53Å; V292-F330 HydrophobicContact CG2-CD1 4.19Å; V292-F330 HydrophobicContact CG2-CE1 4.1Å; V292-F330 HydrophobicContact CG2-CE2 4.5Å; V292-F330 HydrophobicContact CG2-CG 4.42Å; V292-F330 HydrophobicContact CG2-CZ 4.26Å
293	R	95	Very high	96	Very high	98 Å²	98	38.8 Å²	38.8	37%	0.37	18%	0.178	S	C	.	.	H	α-helix	trans	-61.1	-40.6	175.1	-78	-174.7	-72.9	-107.2	-0.3	112.4	E265 R289 C290 L291 H296 Y297	E265-R293 IonicContact OE1-CZ 2.93Å; E265-R293 IonicContact OE1-NH1 2.99Å; E265-R293 PolarHBondContact OE1-NH1 3.46Å; E265-R293 IonicContact OE1-NH2 3.58Å; E265-R293 IonicContact OE2-CZ 2.75Å; E265-R293 IonicContact OE2-NH1 2.61Å; E265-R293 PolarHBondContact OE2-NH1 3.08Å; E265-R293 IonicContact OE2-NH2 3.36Å; R289-R293 WeakPolarHBondContact O-CG 3.39Å; R289-R293 PolarHBondContact O-N 3.45Å; R289-R293 VanDerWaalsContact O-N 3.08Å; C290-R293 PolarHBondContact O-N 2.99Å; C290-R293 PolarHBondContact SG-NH2 3.37Å; L291-R293 VanDerWaalsContact C-N 3.32Å; L291-R293 PolarHBondContact O-N 3.37Å; R293-H296 PolarHBondContact O-N 2.92Å; R293-Y297 WeakPolarHBondContact O-CB 3.22Å; R293-Y297 PolarHBondContact O-N 2.98Å
294	G	94.6	Very high	95.8	Very high	13 Å²	13	45.7 Å²	45.7	13%	0.134	21%	0.208	C	C	.	.	H	α-helix	trans	-62	-45.4	176.3	0	0	0	0	0	112.8	C290 L291 V292 Y297 F298	C290-G294 PolarHBondContact O-N 3.37Å; C290-G294 VanDerWaalsContact O-N 3.08Å; L291-G294 WeakPolarHBondContact O-CA 3.49Å; L291-G294 PolarHBondContact O-N 3.43Å; V292-G294 VanDerWaalsContact C-N 3.33Å; V292-G294 PolarHBondContact O-N 3.3Å; G294-Y297 WeakPolarHBondContact O-CB 3.45Å; G294-Y297 PolarHBondContact O-N 3.24Å; G294-F298 VanDerWaalsContact O-CD2 3.31Å; G294-F298 WeakPolarHBondContact O-CD2 3.44Å; G294-F298 PolarHBondContact O-N 3.41Å
295	V	96.8	Very high	95.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.1	-47.6	175.6	172.9	0	0	0	0	111.1	L291 V292 Y297 F298 I299 M317 I320 L327 F330 T331	L291-V295 PolarHBondContact O-N 2.89Å; V292-V295 PolarHBondContact O-N 3.25Å; V295-Y297 VanDerWaalsContact C-N 3.26Å; V295-Y297 PolarHBondContact O-N 3.49Å; V295-F298 PolarHBondContact O-N 2.96Å; V295-I299 HydrophobicContact CG1-CD1 3.85Å; V295-I299 HydrophobicContact CG1-CG1 4.39Å; V295-I299 WeakPolarHBondContact O-CG1 3.41Å; V295-I299 PolarHBondContact O-N 3.03Å; V295-M317 HydrophobicContact CG1-SD 4.44Å; V295-I320 HydrophobicContact CG2-CG2 4.1Å; V295-L327 HydrophobicContact CG2-CD1 3.98Å; V295-F330 HydrophobicContact CB-CE1 4.08Å; V295-F330 HydrophobicContact CG1-CD1 4.36Å; V295-F330 HydrophobicContact CG1-CE1 3.92Å; V295-T331 HydrophobicContact CG1-CG2 4.04Å; V295-T331 WeakPolarHBondContact CG1-OG1 3.31Å
296	H	97.1	Very high	95.5	Very high	76 Å²	76	47.7 Å²	47.7	35%	0.352	21%	0.211	S	C	.	.	H	α-helix	trans	-57.9	-37.9	175.8	-85.8	163.5	0	0	0	113	V292 R293 I299 K300 F330 E334	V292-H296 PolarHBondContact O-N 3.23Å; R293-H296 PolarHBondContact O-N 2.92Å; H296-I299 PolarHBondContact O-N 3.28Å; H296-K300 WeakPolarHBondContact O-CB 3.33Å; H296-K300 PolarHBondContact O-N 2.96Å; H296-F330 AromaticContact CD2-CZ 3.73Å; H296-F330 AromaticContact CE1-CZ 3.63Å; H296-F330 AromaticContact NE2-CE2 3.92Å; H296-F330 AromaticContact NE2-CZ 3.38Å; H296-F330 WeakPolarHBondContact NE2-CZ 3.4Å; H296-E334 IonicContact NE2-OE2 3.61Å; H296-E334 PolarHBondContact NE2-OE2 3.36Å
297	Y	96.1	Very high	95.2	Very high	117 Å²	117	51.8 Å²	51.8	46%	0.459	23%	0.23	S	C	.	.	H	α-helix	trans	-60.4	-47.7	176.6	171.1	-108.4	0	0	0	111.5	R293 G294 V295 K300 L301	R293-Y297 WeakPolarHBondContact O-CB 3.22Å; R293-Y297 PolarHBondContact O-N 2.98Å; G294-Y297 WeakPolarHBondContact O-CB 3.45Å; G294-Y297 PolarHBondContact O-N 3.24Å; V295-Y297 VanDerWaalsContact C-N 3.26Å; V295-Y297 PolarHBondContact O-N 3.49Å; Y297-K300 WeakPolarHBondContact O-CB 3.38Å; Y297-K300 PolarHBondContact O-N 3.45Å; Y297-L301 HydrophobicContact CD1-CD1 3.85Å; Y297-L301 HydrophobicContact CD2-CD1 4.41Å; Y297-L301 HydrophobicContact CE1-CD1 3.32Å; Y297-L301 HydrophobicContact CE1-CG 4.35Å; Y297-L301 HydrophobicContact CE2-CD1 3.95Å; Y297-L301 HydrophobicContact CE2-CD2 4.46Å; Y297-L301 HydrophobicContact CE2-CG 4.14Å; Y297-L301 HydrophobicContact CG-CD1 4.37Å; Y297-L301 WeakPolarHBondContact O-CG 3.39Å; Y297-L301 PolarHBondContact O-N 2.94Å
298	F	96.1	Very high	95.1	Very high	6 Å²	6	50.3 Å²	50.3	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-68.7	-35.9	177.8	-68	-55.3	0	0	0	113.5	G294 V295 K300 L301 R302 L308 F313 L316 M317 I320 P427 I429 L565	G294-F298 VanDerWaalsContact O-CD2 3.31Å; G294-F298 WeakPolarHBondContact O-CD2 3.44Å; G294-F298 PolarHBondContact O-N 3.41Å; V295-F298 PolarHBondContact O-N 2.96Å; F298-K300 VanDerWaalsContact C-N 3.32Å; F298-K300 PolarHBondContact O-N 3.3Å; F298-L301 HydrophobicContact CD1-CD1 3.86Å; F298-L301 HydrophobicContact CE1-CD1 4.33Å; F298-L301 PolarHBondContact O-N 3Å; F298-R302 WeakPolarHBondContact O-CB 3.14Å; F298-R302 PolarHBondContact O-N 3.46Å; F298-L308 HydrophobicContact CB-CD2 4.21Å; F298-L308 HydrophobicContact CD1-CD2 3.97Å; F298-L308 HydrophobicContact CG-CD2 4.5Å; F298-F313 HydrophobicContact CB-CD2 4.34Å; F298-F313 HydrophobicContact CB-CE2 4.2Å; F298-L316 HydrophobicContact CD1-CD1 4.07Å; F298-L316 HydrophobicContact CE1-CD1 3.92Å; F298-L316 HydrophobicContact CZ-CD1 4.26Å; F298-M317 HydrophobicContact CB-CE 3.53Å; F298-M317 HydrophobicContact CD2-CE 4.03Å; F298-M317 HydrophobicContact CG-CE 4.16Å; F298-I320 HydrophobicContact CD2-CD1 3.98Å; F298-I320 HydrophobicContact CE2-CD1 3.95Å; F298-P427 HydrophobicContact CE1-CB 4.21Å; F298-P427 HydrophobicContact CZ-CB 3.64Å; F298-I429 HydrophobicContact CD2-CG2 4.19Å; F298-I429 HydrophobicContact CE2-CG2 3.46Å; F298-I429 VanDerWaalsContact CE2-CG2 3.46Å; F298-I429 HydrophobicContact CZ-CG2 4.41Å; F298-L565 HydrophobicContact CE1-CD1 4.49Å
299	I	96.9	Very high	95.1	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-61.3	-43.7	172.3	-70	177	0	0	0	110	V295 H296 L301 R302 Y303 F313 E334 I335 M338	V295-I299 HydrophobicContact CG1-CD1 3.85Å; V295-I299 HydrophobicContact CG1-CG1 4.39Å; V295-I299 WeakPolarHBondContact O-CG1 3.41Å; V295-I299 PolarHBondContact O-N 3.03Å; H296-I299 PolarHBondContact O-N 3.28Å; I299-L301 PolarHBondContact O-N 2.83Å; I299-R302 PolarHBondContact O-N 3.33Å; I299-Y303 HydrophobicContact CB-CD2 4.41Å; I299-Y303 HydrophobicContact CG2-CD2 3.79Å; I299-Y303 HydrophobicContact CG2-CE2 4.32Å; I299-Y303 VanDerWaalsContact O-CD2 3.28Å; I299-Y303 WeakPolarHBondContact O-CD2 3.42Å; I299-Y303 PolarHBondContact O-N 3.38Å; I299-F313 HydrophobicContact CG1-CE2 4.08Å; I299-F313 HydrophobicContact CG1-CZ 4.04Å; I299-E334 HydrophobicContact CD1-CB 3.48Å; I299-E334 VanDerWaalsContact CD1-CB 3.48Å; I299-E334 HydrophobicContact CD1-CG 4.47Å; I299-I335 HydrophobicContact CD1-CG1 4.02Å; I299-I335 HydrophobicContact CG1-CG1 4.34Å; I299-M338 HydrophobicContact CG2-CE 3.89Å; I299-M338 HydrophobicContact CG2-CG 3.92Å; I299-M338 HydrophobicContact CG2-SD 4.37Å
300	K	96.9	Very high	95.1	Very high	98 Å²	98	44.3 Å²	44.3	43%	0.426	21%	0.207	S	C	.	.	H	α-helix	trans	-59.8	-47.5	175.3	-174	-168	-174.4	-148.8	0	111.2	H296 Y297 F298 R302 K304 E305	H296-K300 WeakPolarHBondContact O-CB 3.33Å; H296-K300 PolarHBondContact O-N 2.96Å; Y297-K300 WeakPolarHBondContact O-CB 3.38Å; Y297-K300 PolarHBondContact O-N 3.45Å; F298-K300 VanDerWaalsContact C-N 3.32Å; F298-K300 PolarHBondContact O-N 3.3Å; K300-R302 VanDerWaalsContact C-N 3.33Å; K300-R302 PolarHBondContact O-N 3.08Å; K300-K304 HydrophobicContact CG-CB 4.17Å; K300-K304 HydrophobicContact CG-CD 4.28Å; K300-K304 WeakPolarHBondContact O-CA 3.45Å; K300-K304 WeakPolarHBondContact O-CB 3.42Å; K300-K304 PolarHBondContact O-N 2.92Å; K300-E305 WeakPolarHBondContact CE-OE1 3.34Å; K300-E305 HydrophobicContact CG-CG 4.22Å; K300-E305 IonicContact NZ-OE1 3.22Å; K300-E305 PolarHBondContact NZ-OE1 3.36Å; K300-E305 PolarHBondContact O-N 2.97Å
301	L	94.9	Very high	95	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-59.6	-41.5	177.8	-75.2	168.1	0	0	0	112.7	Y297 F298 I299 E305 M306 E307 L308 L565	Y297-L301 HydrophobicContact CD1-CD1 3.85Å; Y297-L301 HydrophobicContact CD2-CD1 4.41Å; Y297-L301 HydrophobicContact CE1-CD1 3.32Å; Y297-L301 HydrophobicContact CE1-CG 4.35Å; Y297-L301 HydrophobicContact CE2-CD1 3.95Å; Y297-L301 HydrophobicContact CE2-CD2 4.46Å; Y297-L301 HydrophobicContact CE2-CG 4.14Å; Y297-L301 HydrophobicContact CG-CD1 4.37Å; Y297-L301 WeakPolarHBondContact O-CG 3.39Å; Y297-L301 PolarHBondContact O-N 2.94Å; F298-L301 HydrophobicContact CD1-CD1 3.86Å; F298-L301 HydrophobicContact CE1-CD1 4.33Å; F298-L301 PolarHBondContact O-N 3Å; I299-L301 PolarHBondContact O-N 2.83Å; L301-E305 WeakPolarHBondContact CD2-OE2 3.42Å; L301-M306 PolarHBondContact O-N 3.31Å; L301-E307 HydrophobicContact CD2-CB 4.02Å; L301-E307 PolarHBondContact O-N 3.18Å; L301-L308 HydrophobicContact CB-CB 3.89Å; L301-L308 HydrophobicContact CB-CD2 4.3Å; L301-L308 PolarHBondContact O-N 3.37Å; L301-L565 HydrophobicContact CD1-CD1 3.42Å; L301-L565 VanDerWaalsContact CD1-CD1 3.42Å
302	R	95.3	Very high	95	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-73	-44.9	-178	176	59.8	-177	83.4	-7.2	113.3	F298 I299 K300 L308 F313 L377 Q381 D382	F298-R302 WeakPolarHBondContact O-CB 3.14Å; F298-R302 PolarHBondContact O-N 3.46Å; I299-R302 PolarHBondContact O-N 3.33Å; K300-R302 VanDerWaalsContact C-N 3.33Å; K300-R302 PolarHBondContact O-N 3.08Å; R302-L308 HydrophobicContact CB-CB 4.47Å; R302-L308 WeakPolarHBondContact CD-O 3.25Å; R302-F313 HydrophobicContact CB-CB 4.47Å; R302-F313 HydrophobicContact CB-CD2 3.62Å; R302-F313 HydrophobicContact CB-CE2 3.99Å; R302-F313 HydrophobicContact CB-CG 4.07Å; R302-F313 HydrophobicContact CG-CB 4.22Å; R302-F313 HydrophobicContact CG-CD1 4.27Å; R302-F313 HydrophobicContact CG-CD2 3.94Å; R302-F313 HydrophobicContact CG-CE2 4.36Å; R302-F313 HydrophobicContact CG-CG 3.88Å; R302-L377 PolarHBondContact NH2-O 3.19Å; R302-Q381 PolarHBondContact O-NE2 3.04Å; R302-D382 IonicContact CZ-OD2 2.73Å; R302-D382 IonicContact NH2-OD2 3.21Å; R302-D382 PolarHBondContact NH2-OD2 2.72Å
303	Y	95.7	Very high	95	Very high	28 Å²	28	46.3 Å²	46.3	11%	0.11	22%	0.215	C	C	.	.	H	α-helix	trans	-108.6	-21.4	-166.8	-59.9	-71.7	0	0	0	114.4	I299 F313 M338 D340 L377	I299-Y303 HydrophobicContact CB-CD2 4.41Å; I299-Y303 HydrophobicContact CG2-CD2 3.79Å; I299-Y303 HydrophobicContact CG2-CE2 4.32Å; I299-Y303 VanDerWaalsContact O-CD2 3.28Å; I299-Y303 WeakPolarHBondContact O-CD2 3.42Å; I299-Y303 PolarHBondContact O-N 3.38Å; Y303-F313 HydrophobicContact CE2-CE1 4.32Å; Y303-F313 HydrophobicContact CE2-CE2 4.43Å; Y303-F313 AromaticContact CE2-CZ 4Å; Y303-F313 HydrophobicContact CE2-CZ 4Å; Y303-M338 HydrophobicContact CD1-CB 3.99Å; Y303-M338 HydrophobicContact CD2-CB 3.95Å; Y303-M338 HydrophobicContact CD2-CG 3.7Å; Y303-M338 HydrophobicContact CE1-CB 4.37Å; Y303-M338 HydrophobicContact CE2-CB 4.32Å; Y303-M338 HydrophobicContact CE2-CG 4.29Å; Y303-M338 HydrophobicContact CG-CB 3.78Å; Y303-M338 HydrophobicContact CG-CG 3.85Å; Y303-D340 HydrophobicContact CE1-CB 3.6Å; Y303-D340 VanDerWaalsContact CE1-OD2 3.25Å; Y303-D340 WeakPolarHBondContact CE1-OD2 3.45Å; Y303-D340 WeakPolarHBondContact OH-CB 3.48Å; Y303-D340 PolarHBondContact OH-OD2 3.34Å; Y303-L377 HydrophobicContact CD1-CD2 4.37Å; Y303-L377 HydrophobicContact CE1-CD2 4.11Å
304	K	94.4	Very high	95	Very high	145 Å²	145	42.7 Å²	42.7	63%	0.63	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-45.7	-177.9	-61.8	-173.7	177	-177.6	0	113	K300	K300-K304 HydrophobicContact CG-CB 4.17Å; K300-K304 HydrophobicContact CG-CD 4.28Å; K300-K304 WeakPolarHBondContact O-CA 3.45Å; K300-K304 WeakPolarHBondContact O-CB 3.42Å; K300-K304 PolarHBondContact O-N 2.92Å
305	E	93.7	Very high	95	Very high	74 Å²	74	43 Å²	43	35%	0.346	20%	0.202	S	C	.	.	S	Bend	trans	-92.2	-14.8	-176.8	-62.5	174.5	159.5	0	0	112.5	K300 L301 E307	K300-E305 WeakPolarHBondContact CE-OE1 3.34Å; K300-E305 HydrophobicContact CG-CG 4.22Å; K300-E305 IonicContact NZ-OE1 3.22Å; K300-E305 PolarHBondContact NZ-OE1 3.36Å; K300-E305 PolarHBondContact O-N 2.97Å; L301-E305 WeakPolarHBondContact CD2-OE2 3.42Å; E305-E307 HydrophobicContact CB-CG 4.03Å; E305-E307 WeakPolarHBondContact O-CG 3.2Å; E305-E307 PolarHBondContact O-N 2.9Å
306	M	91.7	Very high	94.9	Very high	100 Å²	100	43.1 Å²	43.1	49%	0.493	20%	0.203	S	C	.	.			trans	55.5	37.1	179.6	-57.1	-173.7	-168.1	0	0	112.9	L301 Q381	L301-M306 PolarHBondContact O-N 3.31Å; M306-Q381 WeakPolarHBondContact O-CB 3.45Å
307	E	90.9	Very high	94.8	Very high	90 Å²	90	39.5 Å²	39.5	42%	0.421	19%	0.186	S	C	.	.			trans	-108.7	-2.6	-177.1	-61.7	-166.1	150	0	0	113.7	L301 E305 R564	L301-E307 HydrophobicContact CD2-CB 4.02Å; L301-E307 PolarHBondContact O-N 3.18Å; E305-E307 HydrophobicContact CB-CG 4.03Å; E305-E307 WeakPolarHBondContact O-CG 3.2Å; E305-E307 PolarHBondContact O-N 2.9Å; E307-R564 IonicContact OE2-CZ 3.75Å; E307-R564 IonicContact OE2-NH1 2.91Å; E307-R564 IonicContact OE2-NH2 2.77Å; E307-R564 PolarHBondContact OE2-NH2 2.97Å
308	L	94.2	Very high	94.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-125.9	112.6	-177.9	-178.4	60.7	0	0	0	110.1	F298 L301 R302 C312 F313 L316 Q381 L565	F298-L308 HydrophobicContact CB-CD2 4.21Å; F298-L308 HydrophobicContact CD1-CD2 3.97Å; F298-L308 HydrophobicContact CG-CD2 4.5Å; L301-L308 HydrophobicContact CB-CB 3.89Å; L301-L308 HydrophobicContact CB-CD2 4.3Å; L301-L308 PolarHBondContact O-N 3.37Å; R302-L308 HydrophobicContact CB-CB 4.47Å; R302-L308 WeakPolarHBondContact CD-O 3.25Å; L308-C312 HydrophobicContact CD1-CB 3.58Å; L308-F313 HydrophobicContact CD2-CB 3.95Å; L308-F313 HydrophobicContact CD2-CD2 3.74Å; L308-F313 HydrophobicContact CD2-CG 4.35Å; L308-F313 HydrophobicContact CG-CB 4.01Å; L308-L316 HydrophobicContact CD1-CD1 4.31Å; L308-L316 HydrophobicContact CD2-CD1 4.38Å; L308-Q381 PolarHBondContact O-NE2 3.18Å; L308-Q381 VanDerWaalsContact O-NE2 3.16Å; L308-L565 HydrophobicContact CD1-CB 3.7Å; L308-L565 HydrophobicContact CD1-CD1 4.32Å
309	P	95.2	Very high	94.6	Very high	7 Å²	7	38 Å²	38	5%	0.045	19%	0.186	C	C	.	.			trans	-63.1	151.8	175.4	-22.2	32.5	0	0	0	112.8	I311 C312 F313 D382 R562	P309-I311 VanDerWaalsContact C-N 3.35Å; P309-I311 PolarHBondContact O-N 2.89Å; P309-C312 PolarHBondContact O-N 3.09Å; P309-C312 VanDerWaalsContact O-N 3.15Å; P309-F313 PolarHBondContact O-N 2.65Å; P309-D382 VanDerWaalsContact CA-OD1 3.3Å; P309-D382 WeakPolarHBondContact CA-OD1 3.29Å; P309-R562 VanDerWaalsContact CD-O 3.28Å; P309-R562 WeakPolarHBondContact CD-O 3.49Å; P309-R562 HydrophobicContact CG-CB 3.74Å; P309-R562 HydrophobicContact CG-CG 4.14Å; P309-R562 WeakPolarHBondContact CG-O 3.32Å
310	A	95.2	Very high	94.5	Very high	27 Å²	27	38 Å²	38	22%	0.223	19%	0.186	C	C	.	.	H	α-helix	trans	-54.2	-47.6	-178.1	0	0	0	0	0	112.4	C312 F313 S314 D382	A310-C312 VanDerWaalsContact C-N 3.33Å; A310-C312 PolarHBondContact O-N 3.27Å; A310-F313 WeakPolarHBondContact O-CB 3.31Å; A310-F313 PolarHBondContact O-N 3.19Å; A310-S314 PolarHBondContact O-N 3.38Å; A310-S314 PolarHBondContact O-OG 3.1Å; A310-S314 VanDerWaalsContact O-OG 3.13Å; A310-D382 WeakPolarHBondContact CB-OD1 3.49Å; A310-D382 PolarHBondContact N-OD1 2.9Å
311	I	93.7	Very high	94.5	Very high	86 Å²	86	33.3 Å²	33.3	44%	0.441	17%	0.166	S	C	.	.	H	α-helix	trans	-61.8	-40.6	-179.5	-165	163	0	0	0	112.3	P309 E315	P309-I311 VanDerWaalsContact C-N 3.35Å; P309-I311 PolarHBondContact O-N 2.89Å; I311-E315 WeakPolarHBondContact O-CG 3.44Å; I311-E315 PolarHBondContact O-N 2.72Å; I311-E315 VanDerWaalsContact O-N 3.16Å
312	C	94.7	Very high	94.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.6	-42.7	176.4	-60.9	0	0	0	0	110.8	L308 P309 A310 L316 S566	L308-C312 HydrophobicContact CD1-CB 3.58Å; P309-C312 PolarHBondContact O-N 3.09Å; P309-C312 VanDerWaalsContact O-N 3.15Å; A310-C312 VanDerWaalsContact C-N 3.33Å; A310-C312 PolarHBondContact O-N 3.27Å; C312-L316 WeakPolarHBondContact O-CB 3.42Å; C312-L316 VanDerWaalsContact O-CG 3.26Å; C312-L316 WeakPolarHBondContact O-CG 3.35Å; C312-L316 PolarHBondContact O-N 3.14Å; C312-S566 PolarHBondContact SG-OG 2.85Å
313	F	95.8	Very high	94.3	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-60.2	-51.4	176.5	178.7	-97.1	0	0	0	111.9	F298 I299 R302 Y303 L308 P309 A310 E315 L316 M317 I335 E343	F298-F313 HydrophobicContact CB-CD2 4.34Å; F298-F313 HydrophobicContact CB-CE2 4.2Å; I299-F313 HydrophobicContact CG1-CE2 4.08Å; I299-F313 HydrophobicContact CG1-CZ 4.04Å; R302-F313 HydrophobicContact CB-CB 4.47Å; R302-F313 HydrophobicContact CB-CD2 3.62Å; R302-F313 HydrophobicContact CB-CE2 3.99Å; R302-F313 HydrophobicContact CB-CG 4.07Å; R302-F313 HydrophobicContact CG-CB 4.22Å; R302-F313 HydrophobicContact CG-CD1 4.27Å; R302-F313 HydrophobicContact CG-CD2 3.94Å; R302-F313 HydrophobicContact CG-CE2 4.36Å; R302-F313 HydrophobicContact CG-CG 3.88Å; Y303-F313 HydrophobicContact CE2-CE1 4.32Å; Y303-F313 HydrophobicContact CE2-CE2 4.43Å; Y303-F313 AromaticContact CE2-CZ 4Å; Y303-F313 HydrophobicContact CE2-CZ 4Å; L308-F313 HydrophobicContact CD2-CB 3.95Å; L308-F313 HydrophobicContact CD2-CD2 3.74Å; L308-F313 HydrophobicContact CD2-CG 4.35Å; L308-F313 HydrophobicContact CG-CB 4.01Å; P309-F313 PolarHBondContact O-N 2.65Å; A310-F313 WeakPolarHBondContact O-CB 3.31Å; A310-F313 PolarHBondContact O-N 3.19Å; F313-E315 PolarHBondContact O-N 2.93Å; F313-L316 PolarHBondContact O-N 3.27Å; F313-M317 HydrophobicContact CD1-CG 4.07Å; F313-M317 HydrophobicContact CD2-CE 4.21Å; F313-M317 HydrophobicContact CD2-CG 4.35Å; F313-M317 HydrophobicContact CE1-CG 3.63Å; F313-M317 HydrophobicContact CE2-CE 3.65Å; F313-M317 HydrophobicContact CE2-CG 3.98Å; F313-M317 HydrophobicContact CE2-SD 4.32Å; F313-M317 HydrophobicContact CG-CG 4.41Å; F313-M317 HydrophobicContact CZ-CE 4.04Å; F313-M317 HydrophobicContact CZ-CG 3.59Å; F313-M317 HydrophobicContact CZ-SD 4.1Å; F313-M317 WeakPolarHBondContact O-CG 2.95Å; F313-M317 PolarHBondContact O-N 3.02Å; F313-I335 HydrophobicContact CE1-CD1 3.93Å; F313-I335 HydrophobicContact CZ-CD1 3.91Å; F313-I335 HydrophobicContact CZ-CG1 4.25Å; F313-E343 HydrophobicContact CD1-CG 4.37Å; F313-E343 HydrophobicContact CE1-CG 3.94Å
314	S	95.4	Very high	94.3	Very high	21 Å²	21	45 Å²	45	15%	0.147	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-44.2	-178	-62.3	0	0	0	0	111.5	A310 L316 M317 D318 E343 R346	A310-S314 PolarHBondContact O-N 3.38Å; A310-S314 PolarHBondContact O-OG 3.1Å; A310-S314 VanDerWaalsContact O-OG 3.13Å; S314-L316 PolarHBondContact O-N 2.97Å; S314-M317 PolarHBondContact O-N 3.43Å; S314-D318 WeakPolarHBondContact O-CB 3.45Å; S314-D318 PolarHBondContact O-N 3.26Å; S314-D318 VanDerWaalsContact O-OD1 3.13Å; S314-E343 WeakPolarHBondContact CA-OE1 3.36Å; S314-E343 WeakPolarHBondContact CB-OE1 3.44Å; S314-E343 VanDerWaalsContact OG-CD 3.26Å; S314-E343 PolarHBondContact OG-OE1 3.5Å; S314-E343 PolarHBondContact OG-OE2 3.01Å; S314-R346 PolarHBondContact O-NH2 2.98Å
315	E	94.3	Very high	94.3	Very high	19 Å²	19	41.5 Å²	41.5	9%	0.089	21%	0.211	C	C	.	.	H	α-helix	trans	-64.8	-38.2	177	-74.1	-179	171.2	0	0	113.6	I311 F313 D319 N567 R570 R574	I311-E315 WeakPolarHBondContact O-CG 3.44Å; I311-E315 PolarHBondContact O-N 2.72Å; I311-E315 VanDerWaalsContact O-N 3.16Å; F313-E315 PolarHBondContact O-N 2.93Å; E315-D319 PolarHBondContact O-N 3.27Å; E315-D319 VanDerWaalsContact O-N 3.17Å; E315-N567 HydrophobicContact CB-CB 4.43Å; E315-R570 IonicContact OE1-NE 3.88Å; E315-R574 IonicContact OE1-CZ 3.93Å; E315-R574 IonicContact OE1-NE 2.82Å; E315-R574 IonicContact OE1-NH1 2.72Å; E315-R574 PolarHBondContact OE1-NH1 3.23Å; E315-R574 IonicContact OE2-CZ 3.77Å; E315-R574 IonicContact OE2-NH1 3.36Å; E315-R574 PolarHBondContact OE2-NH1 3.23Å; E315-R574 IonicContact OE2-NH2 3.89Å
316	L	94.4	Very high	94.3	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-64.9	-44.7	173.9	-74.7	173	0	0	0	110.7	F298 L308 C312 F313 S314 D318 D319 I320 P427 L565	F298-L316 HydrophobicContact CD1-CD1 4.07Å; F298-L316 HydrophobicContact CE1-CD1 3.92Å; F298-L316 HydrophobicContact CZ-CD1 4.26Å; L308-L316 HydrophobicContact CD1-CD1 4.31Å; L308-L316 HydrophobicContact CD2-CD1 4.38Å; C312-L316 WeakPolarHBondContact O-CB 3.42Å; C312-L316 VanDerWaalsContact O-CG 3.26Å; C312-L316 WeakPolarHBondContact O-CG 3.35Å; C312-L316 PolarHBondContact O-N 3.14Å; F313-L316 PolarHBondContact O-N 3.27Å; S314-L316 PolarHBondContact O-N 2.97Å; L316-D318 VanDerWaalsContact C-N 3.34Å; L316-D318 PolarHBondContact O-N 3.14Å; L316-D319 PolarHBondContact O-N 2.88Å; L316-I320 VanDerWaalsContact O-CB 3.31Å; L316-I320 WeakPolarHBondContact O-CB 3.2Å; L316-I320 WeakPolarHBondContact O-CD1 3.25Å; L316-I320 WeakPolarHBondContact O-CG1 3.31Å; L316-I320 PolarHBondContact O-N 3.17Å; L316-P427 HydrophobicContact CD1-CG 4.46Å; L316-P427 HydrophobicContact CD2-CB 4.16Å; L316-P427 HydrophobicContact CD2-CG 3.94Å; L316-L565 WeakPolarHBondContact CD1-O 3.4Å
317	M	95.7	Very high	94.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.7	-39.8	177.8	-71.4	-59.5	131.3	0	0	111.7	V295 F298 F313 S314 D319 I320 L321 T331	V295-M317 HydrophobicContact CG1-SD 4.44Å; F298-M317 HydrophobicContact CB-CE 3.53Å; F298-M317 HydrophobicContact CD2-CE 4.03Å; F298-M317 HydrophobicContact CG-CE 4.16Å; F313-M317 HydrophobicContact CD1-CG 4.07Å; F313-M317 HydrophobicContact CD2-CE 4.21Å; F313-M317 HydrophobicContact CD2-CG 4.35Å; F313-M317 HydrophobicContact CE1-CG 3.63Å; F313-M317 HydrophobicContact CE2-CE 3.65Å; F313-M317 HydrophobicContact CE2-CG 3.98Å; F313-M317 HydrophobicContact CE2-SD 4.32Å; F313-M317 HydrophobicContact CG-CG 4.41Å; F313-M317 HydrophobicContact CZ-CE 4.04Å; F313-M317 HydrophobicContact CZ-CG 3.59Å; F313-M317 HydrophobicContact CZ-SD 4.1Å; F313-M317 WeakPolarHBondContact O-CG 2.95Å; F313-M317 PolarHBondContact O-N 3.02Å; S314-M317 PolarHBondContact O-N 3.43Å; M317-D319 PolarHBondContact O-N 3.04Å; M317-I320 HydrophobicContact CE-CD1 4.23Å; M317-I320 PolarHBondContact O-N 3.35Å; M317-L321 HydrophobicContact CB-CD1 4.47Å; M317-L321 WeakPolarHBondContact O-CB 3.19Å; M317-L321 WeakPolarHBondContact O-CG 3.43Å; M317-L321 PolarHBondContact O-N 3.27Å; M317-T331 HydrophobicContact SD-CG2 3.86Å
318	D	95.4	Very high	94.7	Very high	41 Å²	41	35.2 Å²	35.2	22%	0.219	19%	0.186	C	C	.	.	H	α-helix	trans	-60.5	-48.5	177.5	-68.7	-5.9	0	0	0	111.2	S314 L316 L322 R346 L350	S314-D318 WeakPolarHBondContact O-CB 3.45Å; S314-D318 PolarHBondContact O-N 3.26Å; S314-D318 VanDerWaalsContact O-OD1 3.13Å; L316-D318 VanDerWaalsContact C-N 3.34Å; L316-D318 PolarHBondContact O-N 3.14Å; D318-L322 WeakPolarHBondContact O-CB 3.08Å; D318-L322 PolarHBondContact O-N 3.28Å; D318-R346 IonicContact OD1-CZ 3.75Å; D318-R346 IonicContact OD1-NH1 3.22Å; D318-R346 PolarHBondContact OD1-NH1 3.42Å; D318-R346 IonicContact OD1-NH2 3.19Å; D318-R346 PolarHBondContact OD1-NH2 2.9Å; D318-R346 IonicContact OD2-CZ 3.51Å; D318-R346 IonicContact OD2-NH1 2.77Å; D318-R346 PolarHBondContact OD2-NH1 2.53Å; D318-R346 IonicContact OD2-NH2 2.77Å; D318-L350 HydrophobicContact CB-CD2 4.15Å; D318-L350 VanDerWaalsContact CG-CD2 3.44Å; D318-L350 VanDerWaalsContact OD1-CD2 3.26Å; D318-L350 WeakPolarHBondContact OD1-CD2 2.97Å
319	D	93.2	Very high	94.6	Very high	50 Å²	50	40.7 Å²	40.7	27%	0.267	22%	0.215	S	C	.	.	H	α-helix	trans	-63.4	-45.8	177.2	179.6	84.4	0	0	0	112.2	E315 L316 M317 L322 R323	E315-D319 PolarHBondContact O-N 3.27Å; E315-D319 VanDerWaalsContact O-N 3.17Å; L316-D319 PolarHBondContact O-N 2.88Å; M317-D319 PolarHBondContact O-N 3.04Å; D319-L322 PolarHBondContact O-N 3.45Å; D319-R323 WeakPolarHBondContact O-CG 3.33Å; D319-R323 PolarHBondContact O-N 3.4Å; D319-R323 IonicContact OD1-NE 2.65Å; D319-R323 IonicContact OD2-CZ 3.75Å; D319-R323 IonicContact OD2-NE 2.72Å; D319-R323 PolarHBondContact OD2-NE 2.9Å; D319-R323 IonicContact OD2-NH2 3.13Å; D319-R323 PolarHBondContact OD2-NH2 3.25Å
320	I	94.4	Very high	94.6	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-48.3	179.2	-74	166.3	0	0	0	111.2	V295 F298 L316 M317 L322 R323 Y324 L327 I429	V295-I320 HydrophobicContact CG2-CG2 4.1Å; F298-I320 HydrophobicContact CD2-CD1 3.98Å; F298-I320 HydrophobicContact CE2-CD1 3.95Å; L316-I320 VanDerWaalsContact O-CB 3.31Å; L316-I320 WeakPolarHBondContact O-CB 3.2Å; L316-I320 WeakPolarHBondContact O-CD1 3.25Å; L316-I320 WeakPolarHBondContact O-CG1 3.31Å; L316-I320 PolarHBondContact O-N 3.17Å; M317-I320 HydrophobicContact CE-CD1 4.23Å; M317-I320 PolarHBondContact O-N 3.35Å; I320-L322 VanDerWaalsContact C-N 3.33Å; I320-R323 PolarHBondContact O-N 3.26Å; I320-Y324 HydrophobicContact CG2-CD2 4.45Å; I320-Y324 WeakPolarHBondContact O-CD2 3.06Å; I320-Y324 PolarHBondContact O-N 3.46Å; I320-L327 HydrophobicContact CG2-CD1 3.94Å; I320-I429 HydrophobicContact CB-CD1 4.19Å; I320-I429 HydrophobicContact CD1-CD1 4.05Å; I320-I429 HydrophobicContact CD1-CG1 4.41Å; I320-I429 HydrophobicContact CD1-CG2 3.81Å; I320-I429 HydrophobicContact CG1-CD1 3.78Å; I320-I429 HydrophobicContact CG1-CG1 4.14Å; I320-I429 HydrophobicContact CG1-CG2 4.4Å; I320-I429 HydrophobicContact CG2-CD1 3.44Å; I320-I429 VanDerWaalsContact CG2-CD1 3.44Å
321	L	95.7	Very high	94.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-78.2	-20.5	-174.7	-64.4	177.2	0	0	0	113	M317 L327 R328 T331 I347 F351	M317-L321 HydrophobicContact CB-CD1 4.47Å; M317-L321 WeakPolarHBondContact O-CB 3.19Å; M317-L321 WeakPolarHBondContact O-CG 3.43Å; M317-L321 PolarHBondContact O-N 3.27Å; L321-L327 HydrophobicContact CD2-CB 3.84Å; L321-R328 HydrophobicContact CB-CG 4.18Å; L321-R328 HydrophobicContact CD2-CG 4.16Å; L321-R328 PolarHBondContact O-NE 2.77Å; L321-R328 PolarHBondContact O-NH2 3.29Å; L321-T331 HydrophobicContact CD1-CG2 4.11Å; L321-T331 HydrophobicContact CD2-CG2 4.32Å; L321-T331 WeakPolarHBondContact CD2-OG1 3.41Å; L321-I347 HydrophobicContact CD1-CD1 4.07Å; L321-I347 HydrophobicContact CD1-CG1 4.29Å; L321-I347 HydrophobicContact CD1-CG2 3.67Å; L321-F351 HydrophobicContact CB-CD2 4.31Å; L321-F351 HydrophobicContact CB-CE1 4.43Å; L321-F351 HydrophobicContact CB-CE2 3.55Å; L321-F351 HydrophobicContact CB-CZ 3.62Å; L321-F351 HydrophobicContact CD1-CE2 4.01Å; L321-F351 HydrophobicContact CG-CE2 4.46Å
322	L	95	Very high	94.6	Very high	116 Å²	116	37 Å²	37	61%	0.607	19%	0.19	S	C	*	.	H	α-helix	trans	-68.6	-49.1	166.1	-177.4	65	0	0	0	110.5	D318 D319 I320 F351	D318-L322 WeakPolarHBondContact O-CB 3.08Å; D318-L322 PolarHBondContact O-N 3.28Å; D319-L322 PolarHBondContact O-N 3.45Å; I320-L322 VanDerWaalsContact C-N 3.33Å; L322-F351 HydrophobicContact CB-CE1 4.18Å; L322-F351 HydrophobicContact CB-CZ 4.46Å; L322-F351 HydrophobicContact CD1-CE1 4.39Å
323	R	92.2	Very high	94.5	Very high	109 Å²	109	39.4 Å²	39.4	41%	0.411	21%	0.207	S	C	.	.	H	α-helix	trans	-69.5	-34.6	-179.8	-71.8	-169.2	-72.9	155.7	-5.8	113.6	D319 I320 P325	D319-R323 WeakPolarHBondContact O-CG 3.33Å; D319-R323 PolarHBondContact O-N 3.4Å; D319-R323 IonicContact OD1-NE 2.65Å; D319-R323 IonicContact OD2-CZ 3.75Å; D319-R323 IonicContact OD2-NE 2.72Å; D319-R323 PolarHBondContact OD2-NE 2.9Å; D319-R323 IonicContact OD2-NH2 3.13Å; D319-R323 PolarHBondContact OD2-NH2 3.25Å; I320-R323 PolarHBondContact O-N 3.26Å; R323-P325 WeakPolarHBondContact O-CD 3.34Å
324	Y	94.4	Very high	94.4	Very high	51 Å²	51	40.5 Å²	40.5	20%	0.2	21%	0.212	C	C	.	.			trans	-126.7	80.3	-174.2	-53.4	-72	0	0	0	111.8	L291 I320 S326 L327 I429	L291-Y324 HydrophobicContact CD1-CD1 3.61Å; L291-Y324 HydrophobicContact CD1-CE1 3.93Å; L291-Y324 HydrophobicContact CD1-CG 3.95Å; L291-Y324 HydrophobicContact CD2-CD1 4.1Å; L291-Y324 HydrophobicContact CD2-CD2 3.84Å; L291-Y324 HydrophobicContact CD2-CE1 3.9Å; L291-Y324 HydrophobicContact CD2-CE2 3.63Å; L291-Y324 HydrophobicContact CD2-CG 4.07Å; I320-Y324 HydrophobicContact CG2-CD2 4.45Å; I320-Y324 WeakPolarHBondContact O-CD2 3.06Å; I320-Y324 PolarHBondContact O-N 3.46Å; Y324-S326 PolarHBondContact O-N 3.29Å; Y324-S326 VanDerWaalsContact O-N 3.1Å; Y324-L327 HydrophobicContact CD2-CD1 4.29Å; Y324-L327 HydrophobicContact CG-CD1 4.19Å; Y324-L327 PolarHBondContact O-N 2.95Å; Y324-I429 HydrophobicContact CD2-CD1 4.01Å; Y324-I429 HydrophobicContact CE2-CD1 4.04Å; Y324-I429 HydrophobicContact CE2-CG1 4.08Å
325	P	95.3	Very high	94.4	Very high	72 Å²	72	39.5 Å²	39.5	47%	0.468	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-56.7	-29.2	-179.2	-26.7	34.9	0	0	0	114.5	R323 L327 R328	R323-P325 WeakPolarHBondContact O-CD 3.34Å; P325-L327 PolarHBondContact O-N 3.36Å; P325-R328 WeakPolarHBondContact O-CB 3.28Å; P325-R328 WeakPolarHBondContact O-CD 3.49Å; P325-R328 VanDerWaalsContact O-CG 3.32Å; P325-R328 WeakPolarHBondContact O-CG 3.42Å; P325-R328 PolarHBondContact O-N 2.74Å
326	S	94	Very high	94.2	Very high	76 Å²	76	39 Å²	39	53%	0.531	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-63.7	-17	178	58.4	0	0	0	0	114.2	Y324	Y324-S326 PolarHBondContact O-N 3.29Å; Y324-S326 VanDerWaalsContact O-N 3.1Å
327	L	95.9	Very high	94.1	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-87.1	-16.6	177.8	-63.5	174.3	0	0	0	113.3	Y288 L291 V292 V295 I320 L321 Y324 P325 N329 F330 T331 I429	Y288-L327 HydrophobicContact CD2-CD2 4.26Å; Y288-L327 HydrophobicContact CE2-CD2 3.77Å; L291-L327 HydrophobicContact CB-CD1 3.82Å; L291-L327 HydrophobicContact CB-CD2 3.96Å; L291-L327 HydrophobicContact CB-CG 4.37Å; L291-L327 HydrophobicContact CD1-CD1 4.48Å; V292-L327 HydrophobicContact CG2-CD2 3.95Å; V295-L327 HydrophobicContact CG2-CD1 3.98Å; I320-L327 HydrophobicContact CG2-CD1 3.94Å; L321-L327 HydrophobicContact CD2-CB 3.84Å; Y324-L327 HydrophobicContact CD2-CD1 4.29Å; Y324-L327 HydrophobicContact CG-CD1 4.19Å; Y324-L327 PolarHBondContact O-N 2.95Å; P325-L327 PolarHBondContact O-N 3.36Å; L327-N329 PolarHBondContact O-N 2.87Å; L327-F330 WeakPolarHBondContact O-CB 3.37Å; L327-F330 PolarHBondContact O-N 3.21Å; L327-F330 VanDerWaalsContact O-N 3.12Å; L327-T331 PolarHBondContact O-N 3.28Å; L327-T331 PolarHBondContact O-OG1 2.62Å; L327-T331 VanDerWaalsContact O-OG1 3.06Å; L327-I429 HydrophobicContact CD1-CD1 4.17Å
328	R	94.9	Very high	93.9	Very high	56 Å²	56	47.7 Å²	47.7	21%	0.211	24%	0.243	C	C	.	.	H	α-helix	trans	-53.8	-55.2	-168.9	-72.1	169.9	-175	178.2	6.2	113.5	L321 P325 F330 T331 I332 I353	L321-R328 HydrophobicContact CB-CG 4.18Å; L321-R328 HydrophobicContact CD2-CG 4.16Å; L321-R328 PolarHBondContact O-NE 2.77Å; L321-R328 PolarHBondContact O-NH2 3.29Å; P325-R328 WeakPolarHBondContact O-CB 3.28Å; P325-R328 WeakPolarHBondContact O-CD 3.49Å; P325-R328 VanDerWaalsContact O-CG 3.32Å; P325-R328 WeakPolarHBondContact O-CG 3.42Å; P325-R328 PolarHBondContact O-N 2.74Å; R328-F330 VanDerWaalsContact C-N 3.31Å; R328-F330 PolarHBondContact O-N 3.06Å; R328-T331 PolarHBondContact O-N 3.25Å; R328-I332 WeakPolarHBondContact O-CG1 3.49Å; R328-I332 PolarHBondContact O-N 3.33Å; R328-I353 HydrophobicContact CB-CD1 3.69Å; R328-I353 HydrophobicContact CG-CD1 4.13Å
329	N	92.8	Very high	93.6	Very high	115 Å²	115	51 Å²	51	62%	0.615	26%	0.26	S	S	*	.	H	α-helix	trans	-65.3	-36.4	-179.6	-69.1	-29.5	0	0	0	112.4	L327 S333	L327-N329 PolarHBondContact O-N 2.87Å; N329-S333 WeakPolarHBondContact O-CB 3.3Å; N329-S333 PolarHBondContact O-N 3.22Å; N329-S333 VanDerWaalsContact O-N 3.07Å
330	F	94	Very high	93.5	Very high	39 Å²	39	49 Å²	49	17%	0.171	25%	0.25	C	C	.	.	H	α-helix	trans	-62.9	-51.8	175.3	166.6	-96.5	0	0	0	110.6	V292 V295 H296 L327 R328 I332 S333 E334	V292-F330 HydrophobicContact CB-CE1 4.29Å; V292-F330 HydrophobicContact CB-CZ 4.3Å; V292-F330 HydrophobicContact CG1-CE1 3.99Å; V292-F330 HydrophobicContact CG1-CE2 3.99Å; V292-F330 HydrophobicContact CG1-CZ 3.53Å; V292-F330 HydrophobicContact CG2-CD1 4.19Å; V292-F330 HydrophobicContact CG2-CE1 4.1Å; V292-F330 HydrophobicContact CG2-CE2 4.5Å; V292-F330 HydrophobicContact CG2-CG 4.42Å; V292-F330 HydrophobicContact CG2-CZ 4.26Å; V295-F330 HydrophobicContact CB-CE1 4.08Å; V295-F330 HydrophobicContact CG1-CD1 4.36Å; V295-F330 HydrophobicContact CG1-CE1 3.92Å; H296-F330 AromaticContact CD2-CZ 3.73Å; H296-F330 AromaticContact CE1-CZ 3.63Å; H296-F330 AromaticContact NE2-CE2 3.92Å; H296-F330 AromaticContact NE2-CZ 3.38Å; H296-F330 WeakPolarHBondContact NE2-CZ 3.4Å; L327-F330 WeakPolarHBondContact O-CB 3.37Å; L327-F330 PolarHBondContact O-N 3.21Å; L327-F330 VanDerWaalsContact O-N 3.12Å; R328-F330 VanDerWaalsContact C-N 3.31Å; R328-F330 PolarHBondContact O-N 3.06Å; F330-I332 PolarHBondContact O-N 3.07Å; F330-S333 WeakPolarHBondContact O-CB 3.29Å; F330-S333 PolarHBondContact O-N 2.98Å; F330-S333 VanDerWaalsContact O-N 3.16Å; F330-E334 HydrophobicContact CD2-CG 4.18Å; F330-E334 HydrophobicContact CE1-CG 4.01Å; F330-E334 HydrophobicContact CE2-CG 3.63Å; F330-E334 HydrophobicContact CZ-CG 3.53Å; F330-E334 WeakPolarHBondContact O-CG 3.07Å; F330-E334 PolarHBondContact O-N 3.34Å
331	T	95.8	Very high	93.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-45	179.5	-57.2	0	0	0	0	111.7	V295 M317 L321 L327 R328 S333 E334 I335 I347	V295-T331 HydrophobicContact CG1-CG2 4.04Å; V295-T331 WeakPolarHBondContact CG1-OG1 3.31Å; M317-T331 HydrophobicContact SD-CG2 3.86Å; L321-T331 HydrophobicContact CD1-CG2 4.11Å; L321-T331 HydrophobicContact CD2-CG2 4.32Å; L321-T331 WeakPolarHBondContact CD2-OG1 3.41Å; L327-T331 PolarHBondContact O-N 3.28Å; L327-T331 PolarHBondContact O-OG1 2.62Å; L327-T331 VanDerWaalsContact O-OG1 3.06Å; R328-T331 PolarHBondContact O-N 3.25Å; T331-S333 VanDerWaalsContact C-N 3.33Å; T331-S333 PolarHBondContact O-N 2.82Å; T331-E334 PolarHBondContact O-N 3.42Å; T331-I335 HydrophobicContact CG2-CD1 3.67Å; T331-I335 HydrophobicContact CG2-CG1 4.28Å; T331-I335 WeakPolarHBondContact O-CG1 3.36Å; T331-I335 PolarHBondContact O-N 3.19Å; T331-I347 HydrophobicContact CG2-CD1 4.43Å
332	I	93.5	Very high	92.9	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.015	27%	0.268	C	S	.	.	H	α-helix	trans	-56.8	-47.1	175.7	-74.5	164	0	0	0	111.1	R328 F330 E334 I335 S336 V344 I347 I353 V358	R328-I332 WeakPolarHBondContact O-CG1 3.49Å; R328-I332 PolarHBondContact O-N 3.33Å; F330-I332 PolarHBondContact O-N 3.07Å; I332-E334 PolarHBondContact O-N 3.12Å; I332-I335 PolarHBondContact O-N 3.06Å; I332-S336 WeakPolarHBondContact O-CB 3.36Å; I332-S336 PolarHBondContact O-N 3.04Å; I332-V344 HydrophobicContact CG2-CG1 3.95Å; I332-I347 HydrophobicContact CD1-CG2 4.07Å; I332-I347 HydrophobicContact CG1-CB 4.47Å; I332-I347 HydrophobicContact CG1-CG2 3.83Å; I332-I353 HydrophobicContact CD1-CB 4.39Å; I332-I353 HydrophobicContact CD1-CD1 3.55Å; I332-I353 HydrophobicContact CD1-CG2 4.07Å; I332-V358 HydrophobicContact CG2-CB 4.05Å; I332-V358 HydrophobicContact CG2-CG1 3.81Å; I332-V358 HydrophobicContact CG2-CG2 3.87Å
333	S	92.5	Very high	92.8	Very high	50 Å²	50	48.2 Å²	48.2	35%	0.35	24%	0.24	S	C	.	.	H	α-helix	trans	-61.2	-44.1	178.3	-177	0	0	0	0	111.8	N329 F330 T331 S336 K337	N329-S333 WeakPolarHBondContact O-CB 3.3Å; N329-S333 PolarHBondContact O-N 3.22Å; N329-S333 VanDerWaalsContact O-N 3.07Å; F330-S333 WeakPolarHBondContact O-CB 3.29Å; F330-S333 PolarHBondContact O-N 2.98Å; F330-S333 VanDerWaalsContact O-N 3.16Å; T331-S333 VanDerWaalsContact C-N 3.33Å; T331-S333 PolarHBondContact O-N 2.82Å; S333-S336 PolarHBondContact O-N 3.16Å; S333-K337 WeakPolarHBondContact O-CG 3.32Å; S333-K337 PolarHBondContact O-N 3.5Å
334	E	94.8	Very high	92.8	Very high	25 Å²	25	43 Å²	43	12%	0.117	22%	0.221	C	C	.	.	H	α-helix	trans	-69.7	-37.9	-179.9	-64.5	-48.8	126.7	0	0	113.2	H296 I299 F330 T331 I332 K337	H296-E334 IonicContact NE2-OE2 3.61Å; H296-E334 PolarHBondContact NE2-OE2 3.36Å; I299-E334 HydrophobicContact CD1-CB 3.48Å; I299-E334 VanDerWaalsContact CD1-CB 3.48Å; I299-E334 HydrophobicContact CD1-CG 4.47Å; F330-E334 HydrophobicContact CD2-CG 4.18Å; F330-E334 HydrophobicContact CE1-CG 4.01Å; F330-E334 HydrophobicContact CE2-CG 3.63Å; F330-E334 HydrophobicContact CZ-CG 3.53Å; F330-E334 WeakPolarHBondContact O-CG 3.07Å; F330-E334 PolarHBondContact O-N 3.34Å; T331-E334 PolarHBondContact O-N 3.42Å; I332-E334 PolarHBondContact O-N 3.12Å; E334-K337 PolarHBondContact O-N 2.94Å; E334-K337 IonicContact OE1-NZ 2.75Å; E334-K337 PolarHBondContact OE1-NZ 3.2Å; E334-K337 IonicContact OE2-NZ 3.2Å; E334-K337 PolarHBondContact OE2-NZ 3.21Å
335	I	94.3	Very high	92.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-68.9	-39	175.6	-65	172.4	0	0	0	110.6	I299 F313 T331 I332 K337 M338 N339 D340 E343 V344 I347	I299-I335 HydrophobicContact CD1-CG1 4.02Å; I299-I335 HydrophobicContact CG1-CG1 4.34Å; F313-I335 HydrophobicContact CE1-CD1 3.93Å; F313-I335 HydrophobicContact CZ-CD1 3.91Å; F313-I335 HydrophobicContact CZ-CG1 4.25Å; T331-I335 HydrophobicContact CG2-CD1 3.67Å; T331-I335 HydrophobicContact CG2-CG1 4.28Å; T331-I335 WeakPolarHBondContact O-CG1 3.36Å; T331-I335 PolarHBondContact O-N 3.19Å; I332-I335 PolarHBondContact O-N 3.06Å; I335-K337 PolarHBondContact O-N 2.98Å; I335-M338 WeakPolarHBondContact O-CA 3.37Å; I335-M338 WeakPolarHBondContact O-CB 3.44Å; I335-M338 PolarHBondContact O-N 3.01Å; I335-N339 PolarHBondContact O-N 2.62Å; I335-D340 HydrophobicContact CG2-CB 3.96Å; I335-E343 HydrophobicContact CD1-CG 4.09Å; I335-E343 HydrophobicContact CG2-CB 4.12Å; I335-E343 HydrophobicContact CG2-CG 4.3Å; I335-V344 HydrophobicContact CB-CG2 4.06Å; I335-V344 HydrophobicContact CG2-CG2 3.77Å; I335-I347 HydrophobicContact CD1-CD1 3.55Å
336	S	90.4	Very high	92.4	Very high	8 Å²	8	40 Å²	40	6%	0.056	20%	0.2	C	C	.	.	H	α-helix	trans	-57.7	-36.8	175.6	177.1	0	0	0	0	112	I332 S333 M338 N339 H362	I332-S336 WeakPolarHBondContact O-CB 3.36Å; I332-S336 PolarHBondContact O-N 3.04Å; S333-S336 PolarHBondContact O-N 3.16Å; S336-M338 PolarHBondContact O-N 2.94Å; S336-N339 PolarHBondContact O-N 2.93Å; S336-H362 PolarHBondContact OG-CE1 3.35Å
337	K	91.9	Very high	92.3	Very high	131 Å²	131	36.4 Å²	36.4	57%	0.57	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.4	174	-65	169.9	-167.1	172.5	0	113.8	S333 E334 I335 N339	S333-K337 WeakPolarHBondContact O-CG 3.32Å; S333-K337 PolarHBondContact O-N 3.5Å; E334-K337 PolarHBondContact O-N 2.94Å; E334-K337 IonicContact OE1-NZ 2.75Å; E334-K337 PolarHBondContact OE1-NZ 3.2Å; E334-K337 IonicContact OE2-NZ 3.2Å; E334-K337 PolarHBondContact OE2-NZ 3.21Å; I335-K337 PolarHBondContact O-N 2.98Å; K337-N339 VanDerWaalsContact C-N 3.28Å
338	M	92.1	Very high	92.2	Very high	55 Å²	55	36.7 Å²	36.7	27%	0.271	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.2	174.5	-53.7	-61.1	150.1	0	0	112.3	I299 Y303 I335 S336 D340	I299-M338 HydrophobicContact CG2-CE 3.89Å; I299-M338 HydrophobicContact CG2-CG 3.92Å; I299-M338 HydrophobicContact CG2-SD 4.37Å; Y303-M338 HydrophobicContact CD1-CB 3.99Å; Y303-M338 HydrophobicContact CD2-CB 3.95Å; Y303-M338 HydrophobicContact CD2-CG 3.7Å; Y303-M338 HydrophobicContact CE1-CB 4.37Å; Y303-M338 HydrophobicContact CE2-CB 4.32Å; Y303-M338 HydrophobicContact CE2-CG 4.29Å; Y303-M338 HydrophobicContact CG-CB 3.78Å; Y303-M338 HydrophobicContact CG-CG 3.85Å; I335-M338 WeakPolarHBondContact O-CA 3.37Å; I335-M338 WeakPolarHBondContact O-CB 3.44Å; I335-M338 PolarHBondContact O-N 3.01Å; S336-M338 PolarHBondContact O-N 2.94Å; M338-D340 PolarHBondContact O-N 3.05Å
339	N	88.3	Confident	91.9	Very high	110 Å²	110	42 Å²	42	59%	0.588	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	23.1	-178.7	-157.4	38.9	0	0	0	114.7	I335 S336 K337 M341	I335-N339 PolarHBondContact O-N 2.62Å; S336-N339 PolarHBondContact O-N 2.93Å; K337-N339 VanDerWaalsContact C-N 3.28Å; N339-M341 PolarHBondContact O-N 3.3Å
340	D	91.2	Very high	92	Very high	8 Å²	8	41 Å²	41	4%	0.043	20%	0.197	C	C	.	.			trans	-91.6	72.9	172.9	-169.3	-9	0	0	0	110.3	Y303 I335 M338 Y342 E343 V344 L377	Y303-D340 HydrophobicContact CE1-CB 3.6Å; Y303-D340 VanDerWaalsContact CE1-OD2 3.25Å; Y303-D340 WeakPolarHBondContact CE1-OD2 3.45Å; Y303-D340 WeakPolarHBondContact OH-CB 3.48Å; Y303-D340 PolarHBondContact OH-OD2 3.34Å; I335-D340 HydrophobicContact CG2-CB 3.96Å; M338-D340 PolarHBondContact O-N 3.05Å; D340-Y342 PolarHBondContact O-N 3.3Å; D340-E343 HydrophobicContact CB-CB 4.41Å; D340-E343 PolarHBondContact O-N 3.4Å; D340-E343 PolarHBondContact OD1-N 3.1Å; D340-V344 PolarHBondContact O-N 3.25Å; D340-L377 HydrophobicContact CB-CD2 4.08Å
341	M	87.3	Confident	92	Very high	13 Å²	13	40.7 Å²	40.7	6%	0.064	20%	0.196	C	C	.	.	H	α-helix	trans	-66.9	-27.4	-177.5	-65.9	-54.8	-61.4	0	0	112.2	N339 E343 V344 Y345 V359 H362	N339-M341 PolarHBondContact O-N 3.3Å; M341-E343 VanDerWaalsContact C-N 3.34Å; M341-E343 PolarHBondContact O-N 3.04Å; M341-V344 HydrophobicContact CE-CB 4.48Å; M341-V344 HydrophobicContact CE-CG1 4.27Å; M341-V344 PolarHBondContact O-N 3.27Å; M341-V344 HydrophobicContact SD-CG2 4.5Å; M341-Y345 HydrophobicContact CB-CD2 4.38Å; M341-Y345 HydrophobicContact CB-CE2 4.1Å; M341-Y345 HydrophobicContact CE-CE2 4.46Å; M341-Y345 WeakPolarHBondContact O-CD2 3.28Å; M341-Y345 PolarHBondContact O-N 3.44Å; M341-V359 HydrophobicContact CE-CG2 4.21Å; M341-H362 HydrophobicContact CE-CB 4.36Å; M341-H362 HydrophobicContact SD-CB 4.32Å
342	Y	90.2	Very high	91.8	Very high	87 Å²	87	44.1 Å²	44.1	34%	0.341	23%	0.231	S	C	.	.	H	α-helix	trans	-58	-49.6	175.4	179.4	-81.5	0	0	0	110.6	D340 Y345 R346 M372 P376	D340-Y342 PolarHBondContact O-N 3.3Å; Y342-Y345 PolarHBondContact O-N 3.3Å; Y342-R346 WeakPolarHBondContact O-CB 3.41Å; Y342-R346 PolarHBondContact O-N 3.22Å; Y342-M372 HydrophobicContact CD1-CE 4.44Å; Y342-M372 HydrophobicContact CD2-CE 3Å; Y342-M372 HydrophobicContact CE2-CE 3.44Å; Y342-M372 VanDerWaalsContact CE2-CE 3.44Å; Y342-M372 HydrophobicContact CG-CE 3.55Å; Y342-P376 HydrophobicContact CD1-CB 4.01Å; Y342-P376 HydrophobicContact CD2-CB 4.17Å; Y342-P376 HydrophobicContact CE1-CB 4.02Å; Y342-P376 HydrophobicContact CE2-CB 4.21Å; Y342-P376 HydrophobicContact CG-CB 4.13Å
343	E	93.3	Very high	91.5	Very high	5 Å²	5	45.5 Å²	45.5	2%	0.023	24%	0.238	C	C	.	.	H	α-helix	trans	-68.2	-36.3	-179.7	-172	65.9	178.1	0	0	112.4	F313 S314 I335 D340 M341 R346 I347	F313-E343 HydrophobicContact CD1-CG 4.37Å; F313-E343 HydrophobicContact CE1-CG 3.94Å; S314-E343 WeakPolarHBondContact CA-OE1 3.36Å; S314-E343 WeakPolarHBondContact CB-OE1 3.44Å; S314-E343 VanDerWaalsContact OG-CD 3.26Å; S314-E343 PolarHBondContact OG-OE1 3.5Å; S314-E343 PolarHBondContact OG-OE2 3.01Å; I335-E343 HydrophobicContact CD1-CG 4.09Å; I335-E343 HydrophobicContact CG2-CB 4.12Å; I335-E343 HydrophobicContact CG2-CG 4.3Å; D340-E343 HydrophobicContact CB-CB 4.41Å; D340-E343 PolarHBondContact O-N 3.4Å; D340-E343 PolarHBondContact OD1-N 3.1Å; M341-E343 VanDerWaalsContact C-N 3.34Å; M341-E343 PolarHBondContact O-N 3.04Å; E343-R346 VanDerWaalsContact CD-NE 3.31Å; E343-R346 PolarHBondContact O-N 3.41Å; E343-R346 IonicContact OE1-CZ 3.63Å; E343-R346 IonicContact OE1-NE 2.65Å; E343-R346 PolarHBondContact OE1-NE 2.84Å; E343-R346 IonicContact OE1-NH2 2.74Å; E343-R346 PolarHBondContact OE1-NH2 2.64Å; E343-R346 IonicContact OE2-CZ 3.76Å; E343-R346 IonicContact OE2-NE 3.11Å; E343-R346 PolarHBondContact OE2-NE 3.33Å; E343-R346 IonicContact OE2-NH2 3.82Å; E343-I347 HydrophobicContact CG-CD1 4.15Å; E343-I347 WeakPolarHBondContact O-CG1 3.36Å; E343-I347 PolarHBondContact O-N 2.97Å
344	V	92.1	Very high	91	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-57	-50.7	171.9	168.5	0	0	0	0	111	I332 I335 D340 M341 R346 I347 C348	I332-V344 HydrophobicContact CG2-CG1 3.95Å; I335-V344 HydrophobicContact CB-CG2 4.06Å; I335-V344 HydrophobicContact CG2-CG2 3.77Å; D340-V344 PolarHBondContact O-N 3.25Å; M341-V344 HydrophobicContact CE-CB 4.48Å; M341-V344 HydrophobicContact CE-CG1 4.27Å; M341-V344 PolarHBondContact O-N 3.27Å; M341-V344 HydrophobicContact SD-CG2 4.5Å; V344-R346 VanDerWaalsContact C-N 3.34Å; V344-R346 PolarHBondContact O-N 3.14Å; V344-I347 PolarHBondContact O-N 3.48Å; V344-C348 PolarHBondContact O-N 3.39Å; V344-C348 PolarHBondContact O-SG 3.22Å
345	Y	87.8	Confident	89.7	Confident	13 Å²	13	47.4 Å²	47.4	5%	0.051	25%	0.246	C	C	.	.	H	α-helix	trans	-62.1	-42.9	179.2	-73.5	-58.5	0	0	0	112.2	M341 Y342 I347 C348 Q349 V359 Y370 M372	M341-Y345 HydrophobicContact CB-CD2 4.38Å; M341-Y345 HydrophobicContact CB-CE2 4.1Å; M341-Y345 HydrophobicContact CE-CE2 4.46Å; M341-Y345 WeakPolarHBondContact O-CD2 3.28Å; M341-Y345 PolarHBondContact O-N 3.44Å; Y342-Y345 PolarHBondContact O-N 3.3Å; Y345-I347 VanDerWaalsContact C-N 3.32Å; Y345-I347 PolarHBondContact O-N 3.05Å; Y345-C348 PolarHBondContact O-N 2.9Å; Y345-Q349 WeakPolarHBondContact O-CB 3.41Å; Y345-Q349 PolarHBondContact O-N 2.99Å; Y345-V359 HydrophobicContact CD1-CG2 4.12Å; Y345-V359 HydrophobicContact CE1-CB 4.21Å; Y345-V359 HydrophobicContact CE1-CG1 3.67Å; Y345-V359 HydrophobicContact CE1-CG2 3.45Å; Y345-V359 VanDerWaalsContact CE1-CG2 3.45Å; Y345-V359 WeakPolarHBondContact OH-CG1 3.49Å; Y345-Y370 AromaticContact CD1-CD1 3.94Å; Y345-Y370 HydrophobicContact CD1-CD1 3.94Å; Y345-Y370 HydrophobicContact CD1-CD2 4.48Å; Y345-Y370 AromaticContact CD1-CG 3.87Å; Y345-Y370 HydrophobicContact CD1-CG 3.87Å; Y345-Y370 AromaticContact CE1-CD1 3.25Å; Y345-Y370 HydrophobicContact CE1-CD1 3.25Å; Y345-Y370 AromaticContact CE1-CE1 3.89Å; Y345-Y370 HydrophobicContact CE1-CE1 3.89Å; Y345-Y370 AromaticContact CE1-CG 3.61Å; Y345-Y370 HydrophobicContact CE1-CG 3.61Å; Y345-M372 WeakPolarHBondContact CB-SD 3.45Å; Y345-M372 HydrophobicContact CD2-CE 4.2Å; Y345-M372 HydrophobicContact CD2-SD 3.31Å; Y345-M372 WeakPolarHBondContact CD2-SD 3.49Å; Y345-M372 HydrophobicContact CE2-SD 4.21Å; Y345-M372 HydrophobicContact CG-SD 3.52Å; Y345-M372 VanDerWaalsContact CG-SD 3.52Å
346	R	92.5	Very high	88.5	Confident	47 Å²	47	48.1 Å²	48.1	18%	0.177	25%	0.25	C	S	.	.	H	α-helix	trans	-57.2	-46.7	177.8	-168.1	-168	68.7	72.2	2.6	111.2	S314 D318 Y342 E343 V344 Q349 L350	S314-R346 PolarHBondContact O-NH2 2.98Å; D318-R346 IonicContact OD1-CZ 3.75Å; D318-R346 IonicContact OD1-NH1 3.22Å; D318-R346 PolarHBondContact OD1-NH1 3.42Å; D318-R346 IonicContact OD1-NH2 3.19Å; D318-R346 PolarHBondContact OD1-NH2 2.9Å; D318-R346 IonicContact OD2-CZ 3.51Å; D318-R346 IonicContact OD2-NH1 2.77Å; D318-R346 PolarHBondContact OD2-NH1 2.53Å; D318-R346 IonicContact OD2-NH2 2.77Å; Y342-R346 WeakPolarHBondContact O-CB 3.41Å; Y342-R346 PolarHBondContact O-N 3.22Å; E343-R346 VanDerWaalsContact CD-NE 3.31Å; E343-R346 PolarHBondContact O-N 3.41Å; E343-R346 IonicContact OE1-CZ 3.63Å; E343-R346 IonicContact OE1-NE 2.65Å; E343-R346 PolarHBondContact OE1-NE 2.84Å; E343-R346 IonicContact OE1-NH2 2.74Å; E343-R346 PolarHBondContact OE1-NH2 2.64Å; E343-R346 IonicContact OE2-CZ 3.76Å; E343-R346 IonicContact OE2-NE 3.11Å; E343-R346 PolarHBondContact OE2-NE 3.33Å; E343-R346 IonicContact OE2-NH2 3.82Å; V344-R346 VanDerWaalsContact C-N 3.34Å; V344-R346 PolarHBondContact O-N 3.14Å; R346-Q349 PolarHBondContact O-N 2.9Å; R346-L350 VanDerWaalsContact O-CB 3.25Å; R346-L350 WeakPolarHBondContact O-CB 3.21Å; R346-L350 PolarHBondContact O-N 3.29Å
347	I	93.9	Very high	87.3	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.8	-45.3	178.3	-68.4	169.1	0	0	0	111	L321 T331 I332 I335 E343 V344 Y345 Q349 L350 F351	L321-I347 HydrophobicContact CD1-CD1 4.07Å; L321-I347 HydrophobicContact CD1-CG1 4.29Å; L321-I347 HydrophobicContact CD1-CG2 3.67Å; T331-I347 HydrophobicContact CG2-CD1 4.43Å; I332-I347 HydrophobicContact CD1-CG2 4.07Å; I332-I347 HydrophobicContact CG1-CB 4.47Å; I332-I347 HydrophobicContact CG1-CG2 3.83Å; I335-I347 HydrophobicContact CD1-CD1 3.55Å; E343-I347 HydrophobicContact CG-CD1 4.15Å; E343-I347 WeakPolarHBondContact O-CG1 3.36Å; E343-I347 PolarHBondContact O-N 2.97Å; V344-I347 PolarHBondContact O-N 3.48Å; Y345-I347 VanDerWaalsContact C-N 3.32Å; Y345-I347 PolarHBondContact O-N 3.05Å; I347-Q349 VanDerWaalsContact C-N 3.32Å; I347-Q349 PolarHBondContact O-N 2.82Å; I347-L350 PolarHBondContact O-N 2.97Å; I347-F351 HydrophobicContact CG2-CD2 3.96Å; I347-F351 HydrophobicContact CG2-CE2 4.38Å; I347-F351 WeakPolarHBondContact O-CD2 3.42Å; I347-F351 PolarHBondContact O-N 3.43Å; I347-F351 VanDerWaalsContact O-N 3.09Å
348	C	92	Very high	86.1	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.034	27%	0.267	C	S	.	.	H	α-helix	trans	-58.7	-44.8	177.6	-71.5	0	0	0	0	111.8	V344 Y345 G352 I353	V344-C348 PolarHBondContact O-N 3.39Å; V344-C348 PolarHBondContact O-SG 3.22Å; Y345-C348 PolarHBondContact O-N 2.9Å; C348-G352 WeakPolarHBondContact O-CA 3.03Å; C348-G352 PolarHBondContact O-N 3.14Å; C348-I353 PolarHBondContact O-N 2.57Å
349	Q	90.3	Very high	84.5	Confident	169 Å²	169	47.3 Å²	47.3	79%	0.79	25%	0.254	S	S	*	.	H	α-helix	trans	-66.1	-46.4	178.1	-172.5	177.3	23.4	0	0	111.7	Y345 R346 I347 F351 G352	Y345-Q349 WeakPolarHBondContact O-CB 3.41Å; Y345-Q349 PolarHBondContact O-N 2.99Å; R346-Q349 PolarHBondContact O-N 2.9Å; I347-Q349 VanDerWaalsContact C-N 3.32Å; I347-Q349 PolarHBondContact O-N 2.82Å; Q349-F351 VanDerWaalsContact C-N 3.3Å; Q349-F351 PolarHBondContact O-N 3.49Å; Q349-G352 PolarHBondContact O-N 3.47Å
350	L	94.3	Very high	82.9	Confident	92 Å²	92	47.8 Å²	47.8	48%	0.482	25%	0.249	S	C	.	.	H	α-helix	trans	-61.2	-38.2	-177.5	-178.8	61.5	0	0	0	112.6	D318 R346 I347	D318-L350 HydrophobicContact CB-CD2 4.15Å; D318-L350 VanDerWaalsContact CG-CD2 3.44Å; D318-L350 VanDerWaalsContact OD1-CD2 3.26Å; D318-L350 WeakPolarHBondContact OD1-CD2 2.97Å; R346-L350 VanDerWaalsContact O-CB 3.25Å; R346-L350 WeakPolarHBondContact O-CB 3.21Å; R346-L350 PolarHBondContact O-N 3.29Å; I347-L350 PolarHBondContact O-N 2.97Å
351	F	94.4	Very high	81.3	Confident	34 Å²	34	58 Å²	58	15%	0.149	29%	0.286	C	S	.	.	H	α-helix	trans	-106.1	6.5	-175.9	-64.1	-69.4	0	0	0	114.5	L321 L322 I347 Q349 I353	L321-F351 HydrophobicContact CB-CD2 4.31Å; L321-F351 HydrophobicContact CB-CE1 4.43Å; L321-F351 HydrophobicContact CB-CE2 3.55Å; L321-F351 HydrophobicContact CB-CZ 3.62Å; L321-F351 HydrophobicContact CD1-CE2 4.01Å; L321-F351 HydrophobicContact CG-CE2 4.46Å; L322-F351 HydrophobicContact CB-CE1 4.18Å; L322-F351 HydrophobicContact CB-CZ 4.46Å; L322-F351 HydrophobicContact CD1-CE1 4.39Å; I347-F351 HydrophobicContact CG2-CD2 3.96Å; I347-F351 HydrophobicContact CG2-CE2 4.38Å; I347-F351 WeakPolarHBondContact O-CD2 3.42Å; I347-F351 PolarHBondContact O-N 3.43Å; I347-F351 VanDerWaalsContact O-N 3.09Å; Q349-F351 VanDerWaalsContact C-N 3.3Å; Q349-F351 PolarHBondContact O-N 3.49Å; F351-I353 VanDerWaalsContact C-N 3.34Å; F351-I353 HydrophobicContact CB-CD1 3.79Å; F351-I353 HydrophobicContact CB-CG1 3.98Å; F351-I353 PolarHBondContact O-N 3.22Å
352	G	91	Very high	79.8	Confident	71 Å²	71	61.4 Å²	61.4	73%	0.732	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	38.3	178.9	0	0	0	0	0	113.7	C348 Q349	C348-G352 WeakPolarHBondContact O-CA 3.03Å; C348-G352 PolarHBondContact O-N 3.14Å; Q349-G352 PolarHBondContact O-N 3.47Å
353	I	87.7	Confident	77.9	Confident	33 Å²	33	60.9 Å²	60.9	17%	0.169	30%	0.302	C	S	.	.			trans	-92.7	131.6	-178.8	-56.8	159.9	0	0	0	108.6	R328 I332 C348 F351 G355	R328-I353 HydrophobicContact CB-CD1 3.69Å; R328-I353 HydrophobicContact CG-CD1 4.13Å; I332-I353 HydrophobicContact CD1-CB 4.39Å; I332-I353 HydrophobicContact CD1-CD1 3.55Å; I332-I353 HydrophobicContact CD1-CG2 4.07Å; C348-I353 PolarHBondContact O-N 2.57Å; F351-I353 VanDerWaalsContact C-N 3.34Å; F351-I353 HydrophobicContact CB-CD1 3.79Å; F351-I353 HydrophobicContact CB-CG1 3.98Å; F351-I353 PolarHBondContact O-N 3.22Å; I353-G355 PolarHBondContact O-N 2.95Å
354	D	81.2	Confident	75.7	Confident	114 Å²	114	64.8 Å²	64.8	61%	0.61	33%	0.328	S	S	*	.			trans	-68.9	95.9	169.6	-176.5	16.4	0	0	0	110.1	S356 Y370	D354-S356 PolarHBondContact O-N 3.45Å; D354-S356 WeakPolarHBondContact OD1-CB 2.91Å; D354-S356 PolarHBondContact OD1-N 3.42Å; D354-S356 PolarHBondContact OD1-OG 3.48Å; D354-S356 PolarHBondContact OD2-OG 3.2Å; D354-Y370 PolarHBondContact OD1-OH 3.44Å
355	G	68	Low	73.5	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.01	34%	0.342	C	S	.	.			trans	-73.1	-2.2	178.5	0	0	0	0	0	114.1	I353 N357 V358 V359	I353-G355 PolarHBondContact O-N 2.95Å; G355-N357 PolarHBondContact O-N 3.5Å; G355-V358 PolarHBondContact O-N 2.91Å; G355-V359 VanDerWaalsContact O-CB 3.31Å; G355-V359 WeakPolarHBondContact O-CB 3.31Å; G355-V359 WeakPolarHBondContact O-CG2 3.38Å; G355-V359 PolarHBondContact O-N 3.33Å
356	S	69.2	Low	71.5	Confident	14 Å²	14	76.6 Å²	76.6	10%	0.098	37%	0.374	C	S	.	.	H	α-helix	trans	-45.6	-55.3	-172.6	57.2	0	0	0	0	112.3	D354 V358 V359 Y360 Y370	D354-S356 PolarHBondContact O-N 3.45Å; D354-S356 WeakPolarHBondContact OD1-CB 2.91Å; D354-S356 PolarHBondContact OD1-N 3.42Å; D354-S356 PolarHBondContact OD1-OG 3.48Å; D354-S356 PolarHBondContact OD2-OG 3.2Å; S356-V358 VanDerWaalsContact C-N 3.28Å; S356-V358 PolarHBondContact O-N 2.99Å; S356-V359 PolarHBondContact O-N 3.36Å; S356-Y360 WeakPolarHBondContact O-CB 3.46Å; S356-Y360 WeakPolarHBondContact O-CD2 3.32Å; S356-Y360 PolarHBondContact O-N 3.47Å; S356-Y370 PolarHBondContact N-OH 2.89Å
357	N	65.5	Low	69.2	Low	134 Å²	134	77.8 Å²	77.8	72%	0.717	40%	0.401	S	S	*	.	H	α-helix	trans	-62.2	-29.4	-176.4	-73.3	-39.2	0	0	0	115	G355	G355-N357 PolarHBondContact O-N 3.5Å
358	V	65.5	Low	67	Low	41 Å²	41	80.3 Å²	80.3	25%	0.248	43%	0.427	C	S	.	.	H	α-helix	trans	-87.1	-40.5	-180	-176.8	0	0	0	0	110.1	I332 G355 S356	I332-V358 HydrophobicContact CG2-CB 4.05Å; I332-V358 HydrophobicContact CG2-CG1 3.81Å; I332-V358 HydrophobicContact CG2-CG2 3.87Å; G355-V358 PolarHBondContact O-N 2.91Å; S356-V358 VanDerWaalsContact C-N 3.28Å; S356-V358 PolarHBondContact O-N 2.99Å
359	V	58	Low	65	Low	2 Å²	2	86.3 Å²	86.3	1%	0.012	46%	0.459	C	S	.	.	H	α-helix	trans	-70.7	-45.6	-178.8	172.6	0	0	0	0	111.4	M341 Y345 G355 S356 R361 H362 F363 Y370	M341-V359 HydrophobicContact CE-CG2 4.21Å; Y345-V359 HydrophobicContact CD1-CG2 4.12Å; Y345-V359 HydrophobicContact CE1-CB 4.21Å; Y345-V359 HydrophobicContact CE1-CG1 3.67Å; Y345-V359 HydrophobicContact CE1-CG2 3.45Å; Y345-V359 VanDerWaalsContact CE1-CG2 3.45Å; Y345-V359 WeakPolarHBondContact OH-CG1 3.49Å; G355-V359 VanDerWaalsContact O-CB 3.31Å; G355-V359 WeakPolarHBondContact O-CB 3.31Å; G355-V359 WeakPolarHBondContact O-CG2 3.38Å; G355-V359 PolarHBondContact O-N 3.33Å; S356-V359 PolarHBondContact O-N 3.36Å; V359-R361 PolarHBondContact O-N 2.96Å; V359-R361 VanDerWaalsContact O-N 3.1Å; V359-H362 PolarHBondContact O-N 3.46Å; V359-F363 PolarHBondContact O-N 3.33Å; V359-Y370 HydrophobicContact CB-CE1 3.95Å; V359-Y370 HydrophobicContact CG1-CD1 3.94Å; V359-Y370 HydrophobicContact CG1-CE1 3.74Å; V359-Y370 HydrophobicContact CG2-CD1 4.47Å; V359-Y370 HydrophobicContact CG2-CE1 3.92Å
360	Y	55.5	Low	63.2	Low	121 Å²	121	81.1 Å²	81.1	48%	0.475	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.2	-178.3	-85.8	-64.2	0	0	0	113.2	S356 H362 F363 Y365	S356-Y360 WeakPolarHBondContact O-CB 3.46Å; S356-Y360 WeakPolarHBondContact O-CD2 3.32Å; S356-Y360 PolarHBondContact O-N 3.47Å; Y360-H362 PolarHBondContact O-N 3.33Å; Y360-F363 WeakPolarHBondContact CA-O 3.33Å; Y360-Y365 HydrophobicContact CE1-CG 4.28Å; Y360-Y365 VanDerWaalsContact CE1-N 3.35Å; Y360-Y365 AromaticContact CZ-CG 3.88Å; Y360-Y365 WeakPolarHBondContact OH-CB 3.41Å; Y360-Y365 WeakPolarHBondContact OH-CD1 3.47Å
361	R	58.4	Low	61.1	Low	221 Å²	221	80.7 Å²	80.7	83%	0.834	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-26	175.1	-87.5	-171	-175.3	173.7	3.1	113.5	V359	V359-R361 PolarHBondContact O-N 2.96Å; V359-R361 VanDerWaalsContact O-N 3.1Å
362	H	54.5	Low	59.4	Low	85 Å²	85	82.9 Å²	82.9	39%	0.394	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-32.3	-177	-65.4	87.4	0	0	0	112.3	S336 M341 V359 Y360	S336-H362 PolarHBondContact OG-CE1 3.35Å; M341-H362 HydrophobicContact CE-CB 4.36Å; M341-H362 HydrophobicContact SD-CB 4.32Å; V359-H362 PolarHBondContact O-N 3.46Å; Y360-H362 PolarHBondContact O-N 3.33Å
363	F	50.6	Low	57.7	Low	76 Å²	76	82.1 Å²	82.1	33%	0.333	43%	0.429	S	S	.	.	S	Bend	trans	-148.1	131.8	-179.9	-71.9	-84.6	0	0	0	111.8	V359 Y360 Y365 P373	V359-F363 PolarHBondContact O-N 3.33Å; Y360-F363 WeakPolarHBondContact CA-O 3.33Å; F363-Y365 PolarHBondContact O-N 3.32Å; F363-P373 HydrophobicContact CD1-CG 4.2Å; F363-P373 HydrophobicContact CD2-CG 4.5Å; F363-P373 HydrophobicContact CE1-CB 4.42Å; F363-P373 HydrophobicContact CE1-CG 4.21Å; F363-P373 HydrophobicContact CG-CG 4.35Å; F363-P373 HydrophobicContact CZ-CG 4.38Å
364	P	46.9	Very low	56.6	Low	88 Å²	88	87 Å²	87	57%	0.571	45%	0.451	S	S	*	.			trans	-66.3	126	176.3	-6.8	19.2	0	0	0	111	Y366	P364-Y366 HydrophobicContact CB-CE2 4.04Å; P364-Y366 WeakPolarHBondContact O-CD2 3.42Å; P364-Y366 PolarHBondContact O-N 2.97Å
365	Y	45.7	Very low	56.5	Low	75 Å²	75	84.2 Å²	84.2	29%	0.294	45%	0.448	S	S	.	.			trans	-63.3	128.2	172.8	-168.8	-107.3	0	0	0	110.6	Y360 F363 G368 Y370	Y360-Y365 HydrophobicContact CE1-CG 4.28Å; Y360-Y365 VanDerWaalsContact CE1-N 3.35Å; Y360-Y365 AromaticContact CZ-CG 3.88Å; Y360-Y365 WeakPolarHBondContact OH-CB 3.41Å; Y360-Y365 WeakPolarHBondContact OH-CD1 3.47Å; F363-Y365 PolarHBondContact O-N 3.32Å; Y365-G368 WeakPolarHBondContact OH-CA 3.38Å; Y365-Y370 AromaticContact CD2-CD1 3.62Å; Y365-Y370 HydrophobicContact CD2-CD1 3.62Å; Y365-Y370 AromaticContact CD2-CE1 3.33Å; Y365-Y370 HydrophobicContact CD2-CE1 3.33Å; Y365-Y370 HydrophobicContact CD2-CE2 4.46Å; Y365-Y370 HydrophobicContact CD2-CG 4.37Å; Y365-Y370 AromaticContact CD2-CZ 3.79Å; Y365-Y370 AromaticContact CE2-CD1 3.74Å; Y365-Y370 HydrophobicContact CE2-CD1 3.74Å; Y365-Y370 HydrophobicContact CE2-CD2 4.05Å; Y365-Y370 AromaticContact CE2-CE1 3.43Å; Y365-Y370 HydrophobicContact CE2-CE1 3.43Å; Y365-Y370 VanDerWaalsContact CE2-CE1 3.43Å; Y365-Y370 AromaticContact CE2-CE2 3.7Å; Y365-Y370 HydrophobicContact CE2-CE2 3.7Å; Y365-Y370 HydrophobicContact CE2-CG 4.08Å; Y365-Y370 AromaticContact CE2-CZ 3.39Å
366	Y	46.4	Very low	57.4	Low	185 Å²	185	87.5 Å²	87.5	73%	0.725	47%	0.47	S	S	*	.			trans	-120	98.2	170.3	-79.7	-83.9	0	0	0	109.8	P364	P364-Y366 HydrophobicContact CB-CE2 4.04Å; P364-Y366 WeakPolarHBondContact O-CD2 3.42Å; P364-Y366 PolarHBondContact O-N 2.97Å
367	G	43.7	Very low	58.3	Low	72 Å²	72	90 Å²	90	74%	0.742	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	56.9	154	0	0	0	0	0	117.8	N369	G367-N369 PolarHBondContact O-N 3.27Å
368	G	48.4	Very low	59.5	Low	53 Å²	53	89 Å²	89	55%	0.546	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	-13.8	160.9	0	0	0	0	0	116.2	Y365	Y365-G368 WeakPolarHBondContact OH-CA 3.38Å
369	N	49.2	Very low	60.7	Low	131 Å²	131	88.8 Å²	88.8	70%	0.701	47%	0.472	S	S	*	.	S	Bend	trans	-119.8	117.6	170.1	-79.8	-27.6	0	0	0	108.1	G367 P371	G367-N369 PolarHBondContact O-N 3.27Å; N369-P371 WeakPolarHBondContact O-CD 3.36Å; N369-P371 VanDerWaalsContact O-N 3.1Å
370	Y	52.4	Low	62.2	Low	61 Å²	61	92.1 Å²	92.1	24%	0.239	50%	0.5	C	S	.	.			trans	-65.9	104.5	168.2	-71.3	-77.3	0	0	0	107.9	Y345 D354 S356 V359 Y365 M372	Y345-Y370 AromaticContact CD1-CD1 3.94Å; Y345-Y370 HydrophobicContact CD1-CD1 3.94Å; Y345-Y370 HydrophobicContact CD1-CD2 4.48Å; Y345-Y370 AromaticContact CD1-CG 3.87Å; Y345-Y370 HydrophobicContact CD1-CG 3.87Å; Y345-Y370 AromaticContact CE1-CD1 3.25Å; Y345-Y370 HydrophobicContact CE1-CD1 3.25Å; Y345-Y370 AromaticContact CE1-CE1 3.89Å; Y345-Y370 HydrophobicContact CE1-CE1 3.89Å; Y345-Y370 AromaticContact CE1-CG 3.61Å; Y345-Y370 HydrophobicContact CE1-CG 3.61Å; D354-Y370 PolarHBondContact OD1-OH 3.44Å; S356-Y370 PolarHBondContact N-OH 2.89Å; V359-Y370 HydrophobicContact CB-CE1 3.95Å; V359-Y370 HydrophobicContact CG1-CD1 3.94Å; V359-Y370 HydrophobicContact CG1-CE1 3.74Å; V359-Y370 HydrophobicContact CG2-CD1 4.47Å; V359-Y370 HydrophobicContact CG2-CE1 3.92Å; Y365-Y370 AromaticContact CD2-CD1 3.62Å; Y365-Y370 HydrophobicContact CD2-CD1 3.62Å; Y365-Y370 AromaticContact CD2-CE1 3.33Å; Y365-Y370 HydrophobicContact CD2-CE1 3.33Å; Y365-Y370 HydrophobicContact CD2-CE2 4.46Å; Y365-Y370 HydrophobicContact CD2-CG 4.37Å; Y365-Y370 AromaticContact CD2-CZ 3.79Å; Y365-Y370 AromaticContact CE2-CD1 3.74Å; Y365-Y370 HydrophobicContact CE2-CD1 3.74Å; Y365-Y370 HydrophobicContact CE2-CD2 4.05Å; Y365-Y370 AromaticContact CE2-CE1 3.43Å; Y365-Y370 HydrophobicContact CE2-CE1 3.43Å; Y365-Y370 VanDerWaalsContact CE2-CE1 3.43Å; Y365-Y370 AromaticContact CE2-CE2 3.7Å; Y365-Y370 HydrophobicContact CE2-CE2 3.7Å; Y365-Y370 HydrophobicContact CE2-CG 4.08Å; Y365-Y370 AromaticContact CE2-CZ 3.39Å; Y370-M372 PolarHBondContact O-N 2.92Å
371	P	50.1	Low	63.8	Low	82 Å²	82	87.1 Å²	87.1	53%	0.532	48%	0.481	S	S	.	.			trans	-70.8	111.3	176.2	0.1	18.5	0	0	0	105.4	N369 P373	N369-P371 WeakPolarHBondContact O-CD 3.36Å; N369-P371 VanDerWaalsContact O-N 3.1Å; P371-P373 WeakPolarHBondContact O-CD 3.21Å; P371-P373 WeakPolarHBondContact O-CG 3.15Å
372	M	59.4	Low	65.4	Low	80 Å²	80	78.5 Å²	78.5	39%	0.394	45%	0.451	S	S	.	.			trans	-60.9	104.2	172.6	-66.4	-70.3	-75	0	0	106.9	Y342 Y345 Y370 H374	Y342-M372 HydrophobicContact CD1-CE 4.44Å; Y342-M372 HydrophobicContact CD2-CE 3Å; Y342-M372 HydrophobicContact CE2-CE 3.44Å; Y342-M372 VanDerWaalsContact CE2-CE 3.44Å; Y342-M372 HydrophobicContact CG-CE 3.55Å; Y345-M372 WeakPolarHBondContact CB-SD 3.45Å; Y345-M372 HydrophobicContact CD2-CE 4.2Å; Y345-M372 HydrophobicContact CD2-SD 3.31Å; Y345-M372 WeakPolarHBondContact CD2-SD 3.49Å; Y345-M372 HydrophobicContact CE2-SD 4.21Å; Y345-M372 HydrophobicContact CG-SD 3.52Å; Y345-M372 VanDerWaalsContact CG-SD 3.52Å; Y370-M372 PolarHBondContact O-N 2.92Å; M372-H374 PolarHBondContact O-N 3.14Å
373	P	56	Low	67.1	Low	55 Å²	55	79.1 Å²	79.1	36%	0.357	46%	0.457	S	S	.	.			trans	-67.1	-28.8	-169.5	-17.1	31.6	0	0	0	110.6	F363 P371	F363-P373 HydrophobicContact CD1-CG 4.2Å; F363-P373 HydrophobicContact CD2-CG 4.5Å; F363-P373 HydrophobicContact CE1-CB 4.42Å; F363-P373 HydrophobicContact CE1-CG 4.21Å; F363-P373 HydrophobicContact CG-CG 4.35Å; F363-P373 HydrophobicContact CZ-CG 4.38Å; P371-P373 WeakPolarHBondContact O-CD 3.21Å; P371-P373 WeakPolarHBondContact O-CG 3.15Å
374	H	63.1	Low	68.8	Low	137 Å²	137	80.5 Å²	80.5	63%	0.634	47%	0.474	S	S	*	.	S	Bend	trans	-141.5	151.7	-173.3	-51.9	-47.1	0	0	0	110.4	M372	M372-H374 PolarHBondContact O-N 3.14Å
375	G	79.1	Confident	70.8	Confident	54 Å²	54	77.7 Å²	77.7	56%	0.557	46%	0.458	S	S	*	.			trans	-63.3	-178.8	172.6	0	0	0	0	0	112.9
376	P	86.8	Confident	72.7	Confident	71 Å²	71	79.2 Å²	79.2	46%	0.461	48%	0.477	S	S	.	.			trans	-56.7	142.9	-179.8	24.3	-33.7	0	0	0	111.8	Y342 I378	Y342-P376 HydrophobicContact CD1-CB 4.01Å; Y342-P376 HydrophobicContact CD2-CB 4.17Å; Y342-P376 HydrophobicContact CE1-CB 4.02Å; Y342-P376 HydrophobicContact CE2-CB 4.21Å; Y342-P376 HydrophobicContact CG-CB 4.13Å; P376-I378 PolarHBondContact O-N 3Å; P376-I378 VanDerWaalsContact O-N 3.14Å
377	L	88.5	Confident	74.7	Confident	65 Å²	65	76 Å²	76	34%	0.34	48%	0.476	S	S	.	.			trans	-68.4	108.1	172.8	176.4	63.8	0	0	0	109.7	R302 Y303 D340 L379	R302-L377 PolarHBondContact NH2-O 3.19Å; Y303-L377 HydrophobicContact CD1-CD2 4.37Å; Y303-L377 HydrophobicContact CE1-CD2 4.11Å; D340-L377 HydrophobicContact CB-CD2 4.08Å; L377-L379 HydrophobicContact CD1-CD2 4.06Å; L377-L379 HydrophobicContact CD2-CD2 4.34Å; L377-L379 HydrophobicContact CG-CD2 4.05Å; L377-L379 HydrophobicContact CG-CG 4.37Å
378	I	91	Very high	77.1	Confident	113 Å²	113	73.4 Å²	73.4	58%	0.579	45%	0.447	S	S	*	.			trans	-93.1	118.9	177.3	-56.6	178.5	0	0	0	109	P376 D382 L383	P376-I378 PolarHBondContact O-N 3Å; P376-I378 VanDerWaalsContact O-N 3.14Å; I378-D382 HydrophobicContact CG2-CB 4.08Å; I378-L383 HydrophobicContact CG2-CD2 3.95Å
379	L	91.3	Very high	79.2	Confident	37 Å²	37	71.9 Å²	71.9	19%	0.194	43%	0.426	C	S	.	.			trans	-106.8	170.5	171.1	-62	-164.7	0	0	0	111.5	L377 Q381 D382	L377-L379 HydrophobicContact CD1-CD2 4.06Å; L377-L379 HydrophobicContact CD2-CD2 4.34Å; L377-L379 HydrophobicContact CG-CD2 4.05Å; L377-L379 HydrophobicContact CG-CG 4.37Å; L379-Q381 PolarHBondContact O-N 3.03Å; L379-D382 PolarHBondContact N-OD2 2.77Å; L379-D382 VanDerWaalsContact O-CB 3.29Å; L379-D382 WeakPolarHBondContact O-CB 3.33Å; L379-D382 PolarHBondContact O-N 2.79Å
380	A	88.7	Confident	81.4	Confident	72 Å²	72	72.7 Å²	72.7	60%	0.595	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-55.4	-37.1	-175.6	0	0	0	0	0	113.3	D382 L383	A380-D382 PolarHBondContact O-N 3.36Å; A380-L383 WeakPolarHBondContact O-CB 3.3Å; A380-L383 PolarHBondContact O-N 2.85Å
381	Q	89.7	Confident	83.4	Confident	16 Å²	16	71.3 Å²	71.3	8%	0.075	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-71.7	-12.8	178.9	73.5	-87.8	23.6	0	0	114.5	R302 M306 L308 L379 L383 R562	R302-Q381 PolarHBondContact O-NE2 3.04Å; M306-Q381 WeakPolarHBondContact O-CB 3.45Å; L308-Q381 PolarHBondContact O-NE2 3.18Å; L308-Q381 VanDerWaalsContact O-NE2 3.16Å; L379-Q381 PolarHBondContact O-N 3.03Å; Q381-L383 VanDerWaalsContact C-N 3.34Å; Q381-R562 VanDerWaalsContact O-CD 3.31Å; Q381-R562 WeakPolarHBondContact O-CD 3.48Å
382	D	92.1	Very high	85.5	Confident	40 Å²	40	68.9 Å²	68.9	21%	0.214	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-83.1	-18	176.1	-56	-39.1	0	0	0	111.4	R302 P309 A310 I378 L379 A380	R302-D382 IonicContact CZ-OD2 2.73Å; R302-D382 IonicContact NH2-OD2 3.21Å; R302-D382 PolarHBondContact NH2-OD2 2.72Å; P309-D382 VanDerWaalsContact CA-OD1 3.3Å; P309-D382 WeakPolarHBondContact CA-OD1 3.29Å; A310-D382 WeakPolarHBondContact CB-OD1 3.49Å; A310-D382 PolarHBondContact N-OD1 2.9Å; I378-D382 HydrophobicContact CG2-CB 4.08Å; L379-D382 PolarHBondContact N-OD2 2.77Å; L379-D382 VanDerWaalsContact O-CB 3.29Å; L379-D382 WeakPolarHBondContact O-CB 3.33Å; L379-D382 PolarHBondContact O-N 2.79Å; A380-D382 PolarHBondContact O-N 3.36Å
383	L	90.5	Very high	87.2	Confident	99 Å²	99	71.5 Å²	71.5	52%	0.518	42%	0.423	S	S	.	.	S	Bend	trans	-78	146.6	-179	-59.3	178.9	0	0	0	111.6	I378 A380 Q381 R562	I378-L383 HydrophobicContact CG2-CD2 3.95Å; A380-L383 WeakPolarHBondContact O-CB 3.3Å; A380-L383 PolarHBondContact O-N 2.85Å; Q381-L383 VanDerWaalsContact C-N 3.34Å; L383-R562 PolarHBondContact O-NH1 2.84Å
384	P	86.3	Confident	89	Confident	105 Å²	105	72.4 Å²	72.4	68%	0.682	43%	0.425	S	S	*	.			trans	-53	145.4	173.5	-26	34.9	0	0	0	113.2	P386	P384-P386 VanDerWaalsContact C-CD 3.49Å; P384-P386 WeakPolarHBondContact O-CD 3.31Å
385	A	87.5	Confident	90.7	Very high	28 Å²	28	66.5 Å²	66.5	23%	0.231	40%	0.399	C	S	.	.			trans	-108.3	78.3	175.2	0	0	0	0	0	110.8	T387 C388	A385-T387 PolarHBondContact O-N 3.5Å; A385-C388 HydrophobicContact CB-CB 4.43Å; A385-C388 PolarHBondContact O-N 3.38Å
386	P	86.3	Confident	91.6	Very high	107 Å²	107	70.3 Å²	70.3	70%	0.695	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-18.4	-169.1	28.7	-36.9	0	0	0	114.3	P384 C388	P384-P386 VanDerWaalsContact C-CD 3.49Å; P384-P386 WeakPolarHBondContact O-CD 3.31Å; P386-C388 VanDerWaalsContact C-N 3.35Å
387	T	89.5	Confident	92.1	Very high	117 Å²	117	69.6 Å²	69.6	72%	0.718	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-7.5	179.9	56.3	0	0	0	0	113.5	A385	A385-T387 PolarHBondContact O-N 3.5Å
388	C	92.8	Very high	92.6	Very high	18 Å²	18	73.1 Å²	73.1	12%	0.122	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-77.7	156.4	178.2	-69.4	0	0	0	0	111.3	A385 P386 R390 D558 D560	A385-C388 HydrophobicContact CB-CB 4.43Å; A385-C388 PolarHBondContact O-N 3.38Å; P386-C388 VanDerWaalsContact C-N 3.35Å; C388-R390 PolarHBondContact O-N 2.83Å; C388-D558 CarbonylContact C-O 3.51Å; C388-D558 VanDerWaalsContact CA-O 3.3Å; C388-D558 WeakPolarHBondContact CA-O 3.32Å; C388-D560 HydrophobicContact CB-CB 3.92Å
389	L	93.8	Very high	93	Very high	21 Å²	21	71.6 Å²	71.6	11%	0.11	39%	0.39	C	S	.	.			trans	-53.4	133.4	173.8	-179	62.6	0	0	0	110.4	V557 D558 L559 L583 C587 M590	L389-V557 HydrophobicContact CB-CB 4.45Å; L389-V557 HydrophobicContact CB-CG2 4.12Å; L389-V557 HydrophobicContact CD1-CG2 4.23Å; L389-V557 HydrophobicContact CD2-CG2 4.45Å; L389-V557 HydrophobicContact CG-CG2 4.49Å; L389-D558 PolarHBondContact N-O 3.1Å; L389-L559 HydrophobicContact CB-CD2 4.2Å; L389-L559 HydrophobicContact CD2-CD2 3.91Å; L389-L583 HydrophobicContact CD2-CD2 3.99Å; L389-L583 HydrophobicContact CG-CD2 3.86Å; L389-L583 VanDerWaalsContact O-CD1 3.28Å; L389-L583 WeakPolarHBondContact O-CD1 3.26Å; L389-C587 HydrophobicContact CD2-CB 4Å; L389-M590 HydrophobicContact CD1-CE 4.02Å; L389-M590 HydrophobicContact CD1-SD 4.35Å; L389-M590 HydrophobicContact CD2-SD 4.08Å
390	R	94.4	Very high	93.3	Very high	149 Å²	149	70 Å²	70	56%	0.562	38%	0.382	S	S	*	.			trans	-113.6	152	174	-58.9	-58	-61.4	-98.4	5	109.6	C388 E579	C388-R390 PolarHBondContact O-N 2.83Å; R390-E579 IonicContact CZ-OE1 3.39Å; R390-E579 IonicContact CZ-OE2 3.6Å; R390-E579 IonicContact NE-OE1 3.18Å; R390-E579 PolarHBondContact NE-OE1 3.3Å; R390-E579 IonicContact NE-OE2 3.55Å; R390-E579 IonicContact NH2-OE1 2.99Å; R390-E579 PolarHBondContact NH2-OE1 2.86Å; R390-E579 VanDerWaalsContact NH2-OE1 3.12Å; R390-E579 IonicContact NH2-OE2 2.69Å; R390-E579 PolarHBondContact NH2-OE2 3.22Å
391	L	93.9	Very high	93.7	Very high	31 Å²	31	71.9 Å²	71.9	16%	0.162	37%	0.373	C	S	.	.			trans	-66.1	129.5	179.1	-163	71.7	0	0	0	109.5	V395 I397 A582 L583 Y586	L391-V395 HydrophobicContact CD1-CB 4.21Å; L391-V395 HydrophobicContact CD1-CG1 3.94Å; L391-V395 HydrophobicContact CD1-CG2 4.47Å; L391-V395 HydrophobicContact CD2-CB 4.03Å; L391-V395 HydrophobicContact CD2-CG1 3.9Å; L391-V395 HydrophobicContact CG-CB 3.86Å; L391-V395 HydrophobicContact CG-CG1 4Å; L391-V395 HydrophobicContact CG-CG2 4.42Å; L391-I397 HydrophobicContact CD2-CD1 3.85Å; L391-I397 HydrophobicContact CD2-CG1 4.05Å; L391-A582 HydrophobicContact CD1-CB 4.17Å; L391-A582 HydrophobicContact CD2-CB 4.12Å; L391-L583 HydrophobicContact CB-CD2 4.29Å; L391-L583 HydrophobicContact CB-CG 4.46Å; L391-L583 HydrophobicContact CD1-CD2 4.01Å; L391-L583 HydrophobicContact CD1-CG 4.32Å; L391-Y586 HydrophobicContact CD1-CD1 4.3Å; L391-Y586 HydrophobicContact CD1-CG 4.14Å
392	P	94.3	Very high	94.2	Very high	32 Å²	32	74.1 Å²	74.1	21%	0.208	39%	0.386	C	S	.	.			trans	-60.6	143.9	178.6	-24.6	33.9	0	0	0	112	N394 V395 Y586	P392-N394 VanDerWaalsContact CB-OD1 3.23Å; P392-N394 WeakPolarHBondContact CB-OD1 3.45Å; P392-N394 PolarHBondContact O-N 3.29Å; P392-V395 HydrophobicContact CB-CG2 4.03Å; P392-V395 HydrophobicContact CG-CG2 4.18Å; P392-V395 WeakPolarHBondContact O-CB 3.18Å; P392-V395 PolarHBondContact O-N 2.72Å; P392-Y586 HydrophobicContact CG-CD1 4.42Å; P392-Y586 HydrophobicContact CG-CE1 3.67Å
393	P	94.6	Very high	94.5	Very high	135 Å²	135	72.4 Å²	72.4	88%	0.877	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-22	-174.8	-24.7	33.5	0	0	0	115.1	V395	P393-V395 VanDerWaalsContact C-N 3.31Å
394	N	95.9	Very high	94.8	Very high	73 Å²	73	72.6 Å²	72.6	39%	0.39	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-0.4	178.9	66.3	-56.8	0	0	0	113.5	P392 F396 N447	P392-N394 VanDerWaalsContact CB-OD1 3.23Å; P392-N394 WeakPolarHBondContact CB-OD1 3.45Å; P392-N394 PolarHBondContact O-N 3.29Å; N394-F396 WeakPolarHBondContact O-CD2 3.16Å; N394-F396 WeakPolarHBondContact O-CE2 3.37Å; N394-N447 PolarHBondContact ND2-ND2 2.94Å; N394-N447 PolarHBondContact ND2-OD1 3.18Å
395	V	97.5	Very high	95.4	Very high	13 Å²	13	68.6 Å²	68.6	8%	0.079	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-89.5	125.4	177.2	-178.4	0	0	0	0	110	L391 P392 P393 N447 V449 Y586	L391-V395 HydrophobicContact CD1-CB 4.21Å; L391-V395 HydrophobicContact CD1-CG1 3.94Å; L391-V395 HydrophobicContact CD1-CG2 4.47Å; L391-V395 HydrophobicContact CD2-CB 4.03Å; L391-V395 HydrophobicContact CD2-CG1 3.9Å; L391-V395 HydrophobicContact CG-CB 3.86Å; L391-V395 HydrophobicContact CG-CG1 4Å; L391-V395 HydrophobicContact CG-CG2 4.42Å; P392-V395 HydrophobicContact CB-CG2 4.03Å; P392-V395 HydrophobicContact CG-CG2 4.18Å; P392-V395 WeakPolarHBondContact O-CB 3.18Å; P392-V395 PolarHBondContact O-N 2.72Å; P393-V395 VanDerWaalsContact C-N 3.31Å; V395-N447 CarbonylContact C-O 3.55Å; V395-N447 WeakPolarHBondContact CA-O 3.4Å; V395-V449 HydrophobicContact CG1-CG2 3.9Å; V395-Y586 HydrophobicContact CB-CE2 4.46Å; V395-Y586 HydrophobicContact CG1-CD2 4.09Å; V395-Y586 HydrophobicContact CG1-CE2 4.17Å; V395-Y586 HydrophobicContact CG2-CD1 4.45Å; V395-Y586 HydrophobicContact CG2-CD2 3.99Å; V395-Y586 HydrophobicContact CG2-CE1 3.93Å; V395-Y586 HydrophobicContact CG2-CE2 3.39Å; V395-Y586 HydrophobicContact CG2-CG 4.48Å
396	F	98	Very high	95.9	Very high	134 Å²	134	67.2 Å²	67.2	59%	0.588	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	138.3	178.9	-61	-83.1	0	0	0	110.9	N394 N447 I448 V449	N394-F396 WeakPolarHBondContact O-CD2 3.16Å; N394-F396 WeakPolarHBondContact O-CE2 3.37Å; F396-N447 PolarHBondContact N-O 2.89Å; F396-I448 CarbonylContact O-C 3.55Å; F396-I448 WeakPolarHBondContact O-CA 3.31Å; F396-V449 PolarHBondContact O-N 3.15Å
397	I	98.4	Very high	96.5	Very high	56 Å²	56	64.4 Å²	64.4	29%	0.287	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	132.1	175.7	-57.1	177.3	0	0	0	109.1	L391 V449 L451 V578 A582	L391-I397 HydrophobicContact CD2-CD1 3.85Å; L391-I397 HydrophobicContact CD2-CG1 4.05Å; I397-V449 CarbonylContact C-O 3.57Å; I397-V449 WeakPolarHBondContact CA-O 3.28Å; I397-L451 HydrophobicContact CG2-CD1 3.64Å; I397-L451 HydrophobicContact CG2-CG 3.9Å; I397-V578 HydrophobicContact CD1-CG1 3.47Å; I397-V578 VanDerWaalsContact CD1-CG1 3.47Å; I397-V578 HydrophobicContact CG2-CG1 4.07Å; I397-A582 HydrophobicContact CD1-CB 3.82Å; I397-A582 HydrophobicContact CG1-CB 4.22Å
398	R	98.3	Very high	96.9	Very high	140 Å²	140	64.2 Å²	64.2	53%	0.528	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.4	175.7	-68.9	-170	177.2	-166.9	0.7	110.6	I448 V449 Y450 L451	R398-I448 HydrophobicContact CG-CG2 4.1Å; R398-V449 PolarHBondContact N-O 2.69Å; R398-Y450 HydrophobicContact CB-CD1 3.93Å; R398-Y450 HydrophobicContact CB-CE1 4.23Å; R398-Y450 CarbonylContact O-C 3.54Å; R398-Y450 VanDerWaalsContact O-CA 3.28Å; R398-Y450 WeakPolarHBondContact O-CA 3.39Å; R398-L451 PolarHBondContact O-N 3.34Å
399	F	98.5	Very high	97.2	Very high	80 Å²	80	63.4 Å²	63.4	35%	0.351	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	135.2	170.3	-70.7	-91.7	0	0	0	110.2	L451 E453 L573 V578	F399-L451 WeakPolarHBondContact CA-O 3.16Å; F399-L451 HydrophobicContact CD1-CB 4.3Å; F399-L451 HydrophobicContact CE1-CD1 4.2Å; F399-L451 HydrophobicContact CZ-CD1 4.3Å; F399-E453 HydrophobicContact CD1-CG 4.19Å; F399-E453 WeakPolarHBondContact CD1-OE1 3.2Å; F399-E453 WeakPolarHBondContact CE1-OE1 3.3Å; F399-L573 HydrophobicContact CE1-CD1 4.23Å; F399-V578 HydrophobicContact CE1-CG2 4.5Å; F399-V578 HydrophobicContact CZ-CG2 3.76Å
400	V	98.5	Very high	97.4	Very high	5 Å²	5	62.4 Å²	62.4	3%	0.03	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119	175.4	173.8	0	0	0	0	108	F406 Y450 L451 V452 E453	V400-F406 HydrophobicContact CG1-CB 3.69Å; V400-F406 HydrophobicContact CG1-CG 4.39Å; V400-F406 VanDerWaalsContact CG1-N 3.3Å; V400-Y450 HydrophobicContact CG2-CD1 3.79Å; V400-Y450 HydrophobicContact CG2-CG 4.41Å; V400-L451 PolarHBondContact N-O 3.13Å; V400-V452 HydrophobicContact CB-CB 4.28Å; V400-V452 HydrophobicContact CB-CG1 4.36Å; V400-V452 HydrophobicContact CB-CG2 3.94Å; V400-V452 HydrophobicContact CG1-CB 4.48Å; V400-V452 HydrophobicContact CG1-CG1 4.08Å; V400-V452 HydrophobicContact CG1-CG2 4.15Å; V400-V452 HydrophobicContact CG2-CG2 4.35Å; V400-V452 WeakPolarHBondContact O-CA 3.3Å; V400-E453 PolarHBondContact O-N 3.18Å
401	R	97.8	Very high	97.6	Very high	110 Å²	110	58.6 Å²	58.6	42%	0.415	30%	0.297	S	S	.	.			trans	-125.2	0.1	-172.2	-67.2	-176.8	179.9	124.5	6.7	114	E453 E456 L457 N460	R401-E453 WeakPolarHBondContact CG-OE2 3.47Å; R401-E453 IonicContact CZ-OE2 2.76Å; R401-E453 IonicContact NE-OE2 2.81Å; R401-E453 PolarHBondContact NE-OE2 3.47Å; R401-E453 IonicContact NH2-OE1 2.75Å; R401-E453 IonicContact NH2-OE2 2.99Å; R401-E456 HydrophobicContact CB-CB 3.87Å; R401-E456 HydrophobicContact CG-CB 3.95Å; R401-E456 HydrophobicContact CG-CG 4.23Å; R401-E456 CarbonylContact O-C 3.56Å; R401-E456 VanDerWaalsContact O-O 3.05Å; R401-L457 WeakPolarHBondContact O-CA 3.38Å; R401-L457 PolarHBondContact O-N 3.23Å; R401-N460 WeakPolarHBondContact O-CB 3.42Å; R401-N460 PolarHBondContact O-ND2 3.24Å
402	D	98.5	Very high	97.9	Very high	64 Å²	64	59.5 Å²	59.5	34%	0.342	30%	0.301	S	S	.	.	S	Bend	trans	-152.1	167.9	179.4	61.2	50.1	0	0	0	109.9	V404 G405 F406 N460 S461	D402-V404 VanDerWaalsContact C-N 3.28Å; D402-V404 PolarHBondContact O-N 2.92Å; D402-V404 WeakPolarHBondContact OD1-CB 3.36Å; D402-V404 PolarHBondContact OD1-N 3.43Å; D402-G405 PolarHBondContact O-N 3.37Å; D402-G405 PolarHBondContact OD1-N 2.87Å; D402-F406 PolarHBondContact O-N 3.4Å; D402-N460 HydrophobicContact CB-CB 4.17Å; D402-S461 WeakPolarHBondContact CA-OG 3.39Å
403	A	98.3	Very high	98.1	Very high	4 Å²	4	58 Å²	58	3%	0.033	29%	0.291	C	S	.	.	H	α-helix	trans	-70.5	-23.2	-176.6	0	0	0	0	0	112.7	F406 K407 L457 S461 D465	A403-F406 PolarHBondContact O-N 3.19Å; A403-K407 VanDerWaalsContact O-CB 3.3Å; A403-K407 WeakPolarHBondContact O-CB 3.38Å; A403-K407 WeakPolarHBondContact O-CG 3.29Å; A403-K407 PolarHBondContact O-N 3.42Å; A403-L457 HydrophobicContact CB-CD1 4.33Å; A403-S461 WeakPolarHBondContact CB-OG 3.46Å; A403-S461 PolarHBondContact N-OG 3.42Å; A403-D465 HydrophobicContact CB-CB 3.58Å
404	V	98.3	Very high	98.2	Very high	103 Å²	103	54.2 Å²	54.2	62%	0.624	26%	0.261	S	S	*	.	H	α-helix	trans	-68.7	-50.3	175.5	177.8	0	0	0	0	109.5	D402 F406 K407 L408	D402-V404 VanDerWaalsContact C-N 3.28Å; D402-V404 PolarHBondContact O-N 2.92Å; D402-V404 WeakPolarHBondContact OD1-CB 3.36Å; D402-V404 PolarHBondContact OD1-N 3.43Å; V404-F406 VanDerWaalsContact C-N 3.26Å; V404-F406 PolarHBondContact O-N 3.17Å; V404-K407 PolarHBondContact O-N 2.86Å; V404-L408 WeakPolarHBondContact O-CG 3.14Å; V404-L408 PolarHBondContact O-N 3Å
405	G	98.4	Very high	98.3	Very high	20 Å²	20	60 Å²	60	21%	0.206	28%	0.277	C	S	.	.	H	α-helix	trans	-58.8	-38.5	173.1	0	0	0	0	0	112	D402 L408 A409	D402-G405 PolarHBondContact O-N 3.37Å; D402-G405 PolarHBondContact OD1-N 2.87Å; G405-L408 PolarHBondContact O-N 3.45Å; G405-A409 PolarHBondContact O-N 3.11Å; G405-A409 VanDerWaalsContact O-N 3.12Å
406	F	98.7	Very high	98.4	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68.4	-47.7	178.2	-164.7	-171.3	0	0	0	111.6	V400 D402 A403 V404 L408 A409 V410 L441 M443 V452 L457 A469 F470 L473	V400-F406 HydrophobicContact CG1-CB 3.69Å; V400-F406 HydrophobicContact CG1-CG 4.39Å; V400-F406 VanDerWaalsContact CG1-N 3.3Å; D402-F406 PolarHBondContact O-N 3.4Å; A403-F406 PolarHBondContact O-N 3.19Å; V404-F406 VanDerWaalsContact C-N 3.26Å; V404-F406 PolarHBondContact O-N 3.17Å; F406-L408 VanDerWaalsContact C-N 3.26Å; F406-L408 PolarHBondContact O-N 2.94Å; F406-A409 WeakPolarHBondContact O-CA 3.25Å; F406-A409 WeakPolarHBondContact O-CB 3.44Å; F406-A409 PolarHBondContact O-N 2.82Å; F406-V410 HydrophobicContact CD2-CG2 3.96Å; F406-V410 HydrophobicContact CE2-CG2 3.9Å; F406-V410 WeakPolarHBondContact O-CG2 3.48Å; F406-V410 PolarHBondContact O-N 3.1Å; F406-L441 HydrophobicContact CE2-CD2 4.3Å; F406-L441 HydrophobicContact CZ-CD2 3.85Å; F406-M443 HydrophobicContact CD2-SD 4.25Å; F406-M443 HydrophobicContact CE2-CE 4.36Å; F406-M443 HydrophobicContact CE2-SD 3.6Å; F406-M443 VanDerWaalsContact CE2-SD 3.6Å; F406-V452 HydrophobicContact CD1-CG1 4.5Å; F406-V452 HydrophobicContact CD2-CG2 4.22Å; F406-V452 HydrophobicContact CE2-CG2 4.27Å; F406-L457 HydrophobicContact CB-CD1 4.38Å; F406-L457 HydrophobicContact CD1-CD1 4.3Å; F406-L457 HydrophobicContact CD1-CD2 3.74Å; F406-L457 HydrophobicContact CE1-CD2 4.07Å; F406-A469 HydrophobicContact CB-CB 4.27Å; F406-A469 HydrophobicContact CD1-CB 3.57Å; F406-A469 HydrophobicContact CE1-CB 4.04Å; F406-A469 HydrophobicContact CG-CB 3.95Å; F406-F470 AromaticContact CE1-CD1 3.94Å; F406-F470 HydrophobicContact CE1-CD1 3.94Å; F406-F470 AromaticContact CE1-CD2 3.93Å; F406-F470 HydrophobicContact CE1-CD2 3.93Å; F406-F470 AromaticContact CE1-CE1 3.84Å; F406-F470 HydrophobicContact CE1-CE1 3.84Å; F406-F470 AromaticContact CE1-CE2 3.81Å; F406-F470 HydrophobicContact CE1-CE2 3.81Å; F406-F470 AromaticContact CE1-CG 3.99Å; F406-F470 HydrophobicContact CE1-CG 3.99Å; F406-F470 AromaticContact CE1-CZ 3.76Å; F406-F470 HydrophobicContact CE1-CZ 3.76Å; F406-F470 AromaticContact CZ-CD1 3.95Å; F406-F470 HydrophobicContact CZ-CD1 3.95Å; F406-F470 AromaticContact CZ-CE1 3.86Å; F406-F470 HydrophobicContact CZ-CE1 3.86Å; F406-F470 HydrophobicContact CZ-CG 4.38Å; F406-F470 HydrophobicContact CZ-CZ 4.21Å; F406-L473 HydrophobicContact CE2-CD2 4.13Å; F406-L473 HydrophobicContact CZ-CD2 4.25Å
407	K	98.5	Very high	98.4	Very high	48 Å²	48	63.3 Å²	63.3	21%	0.209	29%	0.294	C	S	.	.	H	α-helix	trans	-56.2	-39.3	174.4	-74.2	170.9	178.3	-177.5	0	111.6	A403 V404 A409 V410 E411 D465 A469	A403-K407 VanDerWaalsContact O-CB 3.3Å; A403-K407 WeakPolarHBondContact O-CB 3.38Å; A403-K407 WeakPolarHBondContact O-CG 3.29Å; A403-K407 PolarHBondContact O-N 3.42Å; V404-K407 PolarHBondContact O-N 2.86Å; K407-A409 PolarHBondContact O-N 3.36Å; K407-V410 PolarHBondContact O-N 3.26Å; K407-E411 WeakPolarHBondContact O-CG 3.31Å; K407-E411 PolarHBondContact O-N 2.8Å; K407-D465 IonicContact NZ-OD1 3.95Å; K407-D465 PolarHBondContact NZ-OD1 3.19Å; K407-A469 HydrophobicContact CG-CB 4.04Å
408	L	98.5	Very high	98.4	Very high	113 Å²	113	62.6 Å²	62.6	59%	0.592	29%	0.291	S	S	*	.	H	α-helix	trans	-62.7	-40.3	174.1	-71.7	172.7	0	0	0	113.2	V404 G405 F406 V410 H412	V404-L408 WeakPolarHBondContact O-CG 3.14Å; V404-L408 PolarHBondContact O-N 3Å; G405-L408 PolarHBondContact O-N 3.45Å; F406-L408 VanDerWaalsContact C-N 3.26Å; F406-L408 PolarHBondContact O-N 2.94Å; L408-V410 VanDerWaalsContact C-N 3.35Å; L408-H412 PolarHBondContact O-N 2.98Å; L408-H412 VanDerWaalsContact O-N 3.1Å
409	A	98.5	Very high	98.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.8	-40.5	174.2	0	0	0	0	0	111.4	G405 F406 K407 H412 A413 I445 Y450	G405-A409 PolarHBondContact O-N 3.11Å; G405-A409 VanDerWaalsContact O-N 3.12Å; F406-A409 WeakPolarHBondContact O-CA 3.25Å; F406-A409 WeakPolarHBondContact O-CB 3.44Å; F406-A409 PolarHBondContact O-N 2.82Å; K407-A409 PolarHBondContact O-N 3.36Å; A409-H412 WeakPolarHBondContact O-CB 3.31Å; A409-H412 PolarHBondContact O-N 3.39Å; A409-A413 PolarHBondContact O-N 2.92Å; A409-I445 WeakPolarHBondContact O-CD1 3.29Å; A409-Y450 HydrophobicContact CB-CD1 3.51Å; A409-Y450 HydrophobicContact CB-CD2 3.96Å; A409-Y450 HydrophobicContact CB-CE1 3.68Å; A409-Y450 HydrophobicContact CB-CE2 4.14Å; A409-Y450 HydrophobicContact CB-CG 3.64Å
410	V	98.5	Very high	98.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.3	-42.3	177.1	175.3	0	0	0	0	111.8	F406 K407 L408 H412 A413 K414 E472 L473	F406-V410 HydrophobicContact CD2-CG2 3.96Å; F406-V410 HydrophobicContact CE2-CG2 3.9Å; F406-V410 WeakPolarHBondContact O-CG2 3.48Å; F406-V410 PolarHBondContact O-N 3.1Å; K407-V410 PolarHBondContact O-N 3.26Å; L408-V410 VanDerWaalsContact C-N 3.35Å; V410-H412 VanDerWaalsContact C-N 3.3Å; V410-H412 PolarHBondContact O-N 3.4Å; V410-A413 WeakPolarHBondContact O-CB 3.43Å; V410-A413 PolarHBondContact O-N 2.91Å; V410-A413 VanDerWaalsContact O-N 3.14Å; V410-K414 WeakPolarHBondContact O-CG 3.16Å; V410-K414 PolarHBondContact O-N 3.23Å; V410-E472 HydrophobicContact CG1-CB 3.75Å; V410-L473 HydrophobicContact CG1-CB 4.28Å; V410-L473 HydrophobicContact CG2-CB 3.89Å
411	E	98.4	Very high	98.4	Very high	69 Å²	69	51.9 Å²	51.9	32%	0.322	25%	0.247	S	C	.	.	H	α-helix	trans	-62.2	-38	174	-75.2	-55	122.8	0	0	112.3	K407 K414 R415	K407-E411 WeakPolarHBondContact O-CG 3.31Å; K407-E411 PolarHBondContact O-N 2.8Å; E411-K414 PolarHBondContact O-N 3.15Å; E411-K414 WeakPolarHBondContact OE1-CD 3.33Å; E411-K414 IonicContact OE1-NZ 2.71Å; E411-K414 PolarHBondContact OE1-NZ 3.23Å; E411-R415 WeakPolarHBondContact O-CG 3.32Å; E411-R415 PolarHBondContact O-N 3Å; E411-R415 VanDerWaalsContact O-N 3.1Å
412	H	98.5	Very high	98.4	Very high	50 Å²	50	47.5 Å²	47.5	23%	0.231	23%	0.232	C	C	.	.	H	α-helix	trans	-62.9	-44.1	172.6	-173.9	-163.1	0	0	0	111.3	L408 A409 V410 K414 R415 A416 I445 Y450	L408-H412 PolarHBondContact O-N 2.98Å; L408-H412 VanDerWaalsContact O-N 3.1Å; A409-H412 WeakPolarHBondContact O-CB 3.31Å; A409-H412 PolarHBondContact O-N 3.39Å; V410-H412 VanDerWaalsContact C-N 3.3Å; V410-H412 PolarHBondContact O-N 3.4Å; H412-K414 VanDerWaalsContact C-N 3.33Å; H412-K414 PolarHBondContact O-N 3.49Å; H412-R415 PolarHBondContact O-N 3.19Å; H412-A416 WeakPolarHBondContact O-CB 3.47Å; H412-A416 PolarHBondContact O-N 3.46Å; H412-I445 PolarHBondContact CE1-O 3.42Å; H412-Y450 AromaticContact ND1-CE2 3.65Å; H412-Y450 AromaticContact ND1-CZ 3.75Å; H412-Y450 PolarHBondContact ND1-OH 3.29Å
413	A	98.6	Very high	98.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.6	-42.2	175.4	0	0	0	0	0	112.1	A409 V410 R415 A416 R417 A419 I445 L473 V479	A409-A413 PolarHBondContact O-N 2.92Å; V410-A413 WeakPolarHBondContact O-CB 3.43Å; V410-A413 PolarHBondContact O-N 2.91Å; V410-A413 VanDerWaalsContact O-N 3.14Å; A413-R415 PolarHBondContact O-N 3.5Å; A413-A416 PolarHBondContact O-N 2.96Å; A413-R417 WeakPolarHBondContact O-CA 3.37Å; A413-R417 PolarHBondContact O-N 3.13Å; A413-A419 HydrophobicContact CB-CB 4.1Å; A413-I445 HydrophobicContact CB-CD1 3.68Å; A413-I445 HydrophobicContact CB-CG1 4.21Å; A413-L473 HydrophobicContact CB-CD1 4.33Å; A413-V479 HydrophobicContact CB-CG1 4.09Å; A413-V479 HydrophobicContact CB-CG2 4.26Å
414	K	98.2	Very high	98.2	Very high	57 Å²	57	45.1 Å²	45.1	25%	0.248	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-43.5	176.9	-72.5	174.9	-171.7	164.3	0	112.1	V410 E411 H412 R417 E472 V479	V410-K414 WeakPolarHBondContact O-CG 3.16Å; V410-K414 PolarHBondContact O-N 3.23Å; E411-K414 PolarHBondContact O-N 3.15Å; E411-K414 WeakPolarHBondContact OE1-CD 3.33Å; E411-K414 IonicContact OE1-NZ 2.71Å; E411-K414 PolarHBondContact OE1-NZ 3.23Å; H412-K414 VanDerWaalsContact C-N 3.33Å; H412-K414 PolarHBondContact O-N 3.49Å; K414-R417 WeakPolarHBondContact O-CG 3.35Å; K414-R417 PolarHBondContact O-N 3.13Å; K414-E472 IonicContact NZ-OE2 2.74Å; K414-E472 PolarHBondContact NZ-OE2 2.82Å; K414-V479 HydrophobicContact CB-CG2 4.38Å; K414-V479 HydrophobicContact CG-CG2 3.94Å
415	R	98.1	Very high	98	Very high	195 Å²	195	43.1 Å²	43.1	74%	0.736	20%	0.2	S	C	*	.	H	α-helix	trans	-66.9	-43.5	176.7	-66.9	176.8	-156.6	158.1	6	112.3	E411 H412 A413 R417	E411-R415 WeakPolarHBondContact O-CG 3.32Å; E411-R415 PolarHBondContact O-N 3Å; E411-R415 VanDerWaalsContact O-N 3.1Å; H412-R415 PolarHBondContact O-N 3.19Å; A413-R415 PolarHBondContact O-N 3.5Å; R415-R417 VanDerWaalsContact C-N 3.26Å; R415-R417 PolarHBondContact O-N 3.13Å
416	A	97.9	Very high	97.6	Very high	47 Å²	47	42.8 Å²	42.8	39%	0.388	20%	0.196	S	C	.	.	H	α-helix	trans	-72.6	-20.7	177.9	0	0	0	0	0	113	H412 A413 L418 I445	H412-A416 WeakPolarHBondContact O-CB 3.47Å; H412-A416 PolarHBondContact O-N 3.46Å; A413-A416 PolarHBondContact O-N 2.96Å; A416-L418 PolarHBondContact O-N 3.13Å; A416-L418 VanDerWaalsContact O-N 3.15Å; A416-I445 HydrophobicContact CB-CG2 3.58Å
417	R	98.3	Very high	97.1	Very high	169 Å²	169	43.9 Å²	43.9	64%	0.638	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	15.7	-174.1	-54.8	-179.3	67.5	170.6	1.2	114.1	A413 K414 R415 T478 L480	A413-R417 WeakPolarHBondContact O-CA 3.37Å; A413-R417 PolarHBondContact O-N 3.13Å; K414-R417 WeakPolarHBondContact O-CG 3.35Å; K414-R417 PolarHBondContact O-N 3.13Å; R415-R417 VanDerWaalsContact C-N 3.26Å; R415-R417 PolarHBondContact O-N 3.13Å; R417-T478 WeakPolarHBondContact CB-O 3.49Å; R417-L480 PolarHBondContact O-N 3.46Å
418	L	98.3	Very high	96.5	Very high	40 Å²	40	43.5 Å²	43.5	21%	0.209	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	135.6	-175.7	-175.2	63.8	0	0	0	109.9	A416 L480 L482 L589 Y592	A416-L418 PolarHBondContact O-N 3.13Å; A416-L418 VanDerWaalsContact O-N 3.15Å; L418-L480 CarbonylContact C-O 3.58Å; L418-L480 WeakPolarHBondContact CA-O 3.49Å; L418-L480 HydrophobicContact CD1-CB 3.98Å; L418-L480 HydrophobicContact CD1-CD2 3.93Å; L418-L480 HydrophobicContact CD1-CG 3.98Å; L418-L482 HydrophobicContact CD1-CD1 3.77Å; L418-L482 HydrophobicContact CD1-CG 3.81Å; L418-L589 HydrophobicContact CD2-CD2 3.81Å; L418-L589 HydrophobicContact CG-CD2 4.04Å; L418-Y592 HydrophobicContact CD2-CD1 4.24Å; L418-Y592 HydrophobicContact CD2-CE1 4.4Å
419	A	98.6	Very high	96	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	131.7	168.1	0	0	0	0	0	109.5	A413 L421 A444 I445 V479 L480 K481 L482	A413-A419 HydrophobicContact CB-CB 4.1Å; A419-L421 HydrophobicContact CB-CD2 4.22Å; A419-A444 WeakPolarHBondContact CA-O 3.15Å; A419-I445 HydrophobicContact CB-CG1 3.95Å; A419-V479 HydrophobicContact CB-CG1 4.07Å; A419-L480 PolarHBondContact N-O 2.86Å; A419-K481 CarbonylContact O-C 3.31Å; A419-K481 VanDerWaalsContact O-CA 3.27Å; A419-K481 WeakPolarHBondContact O-CA 3.27Å; A419-L482 PolarHBondContact O-N 3.47Å
420	A	98.7	Very high	95.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	133	167.8	0	0	0	0	0	109.8	M443 A444 L482 V585 L588 L589	A420-M443 CarbonylContact O-C 3.59Å; A420-M443 VanDerWaalsContact O-CA 3.24Å; A420-M443 WeakPolarHBondContact O-CA 3.25Å; A420-A444 HydrophobicContact CB-CB 4.21Å; A420-A444 PolarHBondContact N-O 3.47Å; A420-A444 PolarHBondContact O-N 2.91Å; A420-L482 CarbonylContact C-O 3.58Å; A420-L482 WeakPolarHBondContact CA-O 3.43Å; A420-L482 HydrophobicContact CB-CB 4.26Å; A420-V585 HydrophobicContact CB-CB 4.37Å; A420-V585 VanDerWaalsContact CB-O 3.31Å; A420-V585 WeakPolarHBondContact CB-O 3.44Å; A420-L588 HydrophobicContact CB-CB 3.76Å; A420-L588 HydrophobicContact CB-CD1 4Å; A420-L588 HydrophobicContact CB-CG 4.4Å; A420-L589 HydrophobicContact CB-CD2 3.68Å; A420-L589 HydrophobicContact CB-CG 3.92Å
421	L	98.5	Very high	95.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	143.8	-170.9	-53.4	-177.6	0	0	0	110.9	A419 Q442 M443 L473 F474 K481 L482 F486	A419-L421 HydrophobicContact CB-CD2 4.22Å; L421-Q442 WeakPolarHBondContact CA-O 3.11Å; L421-M443 HydrophobicContact CD2-CB 4.11Å; L421-M443 HydrophobicContact CD2-CE 4.34Å; L421-M443 HydrophobicContact CD2-CG 3.67Å; L421-L473 HydrophobicContact CD2-CD2 4.44Å; L421-F474 HydrophobicContact CD1-CE1 3.99Å; L421-F474 HydrophobicContact CD1-CZ 3.95Å; L421-K481 HydrophobicContact CD1-CB 3.94Å; L421-K481 HydrophobicContact CD1-CG 3.58Å; L421-K481 HydrophobicContact CG-CB 4.47Å; L421-K481 HydrophobicContact CG-CG 4.29Å; L421-L482 PolarHBondContact N-O 3.47Å; L421-F486 HydrophobicContact CB-CD2 4.06Å; L421-F486 HydrophobicContact CB-CE2 3.62Å; L421-F486 HydrophobicContact CB-CZ 4.04Å; L421-F486 HydrophobicContact CD1-CZ 4.4Å
422	D	97.6	Very high	94.2	Very high	18 Å²	18	42.6 Å²	42.6	10%	0.096	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	169.3	169.7	-158.4	27.9	0	0	0	109	L441 Q442 V585	D422-L441 WeakPolarHBondContact O-CD1 3.41Å; D422-Q442 PolarHBondContact N-O 3.45Å; D422-Q442 PolarHBondContact O-N 2.97Å; D422-Q442 PolarHBondContact O-OE1 3.09Å; D422-V585 HydrophobicContact CB-CG1 3.45Å; D422-V585 VanDerWaalsContact CB-CG1 3.45Å
423	T	97.5	Very high	93.2	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	153	170.3	66.2	0	0	0	0	112.5	W425 L440 L441 F486 D490 L494	T423-W425 WeakPolarHBondContact OG1-CZ3 3.41Å; T423-L440 WeakPolarHBondContact CA-O 3.46Å; T423-L440 WeakPolarHBondContact CB-O 3.16Å; T423-L441 HydrophobicContact CG2-CD1 4.03Å; T423-F486 HydrophobicContact CG2-CE2 4.08Å; T423-F486 HydrophobicContact CG2-CZ 4.16Å; T423-D490 HydrophobicContact CG2-CB 4.08Å; T423-D490 PolarHBondContact N-OD1 3.5Å; T423-D490 VanDerWaalsContact N-OD1 3.09Å; T423-D490 WeakPolarHBondContact OG1-CA 3.39Å; T423-D490 WeakPolarHBondContact OG1-CB 3.22Å; T423-D490 PolarHBondContact OG1-OD1 3.5Å; T423-L494 HydrophobicContact CG2-CD1 3.95Å; T423-L494 HydrophobicContact CG2-CD2 3.94Å; T423-L494 HydrophobicContact CG2-CG 3.83Å
424	E	96.1	Very high	92.1	Very high	16 Å²	16	47.9 Å²	47.9	8%	0.075	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.9	172.9	-74.3	-70	166.9	0	0	111.2	A439 L440 W568 Y580	E424-A439 PolarHBondContact O-N 3.05Å; E424-L440 HydrophobicContact CB-CB 4.22Å; E424-L440 PolarHBondContact N-O 2.87Å; E424-L440 PolarHBondContact O-N 3.41Å; E424-L440 VanDerWaalsContact O-N 3.1Å; E424-W568 HydrophobicContact CB-CB 4.36Å; E424-W568 HydrophobicContact CB-CD2 3.65Å; E424-W568 HydrophobicContact CB-CE3 4.13Å; E424-W568 HydrophobicContact CB-CG 3.75Å; E424-W568 HydrophobicContact CB-CZ2 4.34Å; E424-W568 HydrophobicContact CG-CD2 4.08Å; E424-W568 HydrophobicContact CG-CE3 4.47Å; E424-W568 HydrophobicContact CG-CH2 4.27Å; E424-W568 HydrophobicContact CG-CZ2 3.83Å; E424-W568 VanDerWaalsContact OE2-CE2 3.31Å; E424-W568 PolarHBondContact OE2-NE1 2.85Å; E424-Y580 VanDerWaalsContact OE1-CE1 3.3Å; E424-Y580 WeakPolarHBondContact OE1-CE1 3.41Å
425	W	94.1	Very high	91.3	Very high	60 Å²	60	48.2 Å²	48.2	23%	0.227	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	144.8	-179.1	52.9	82.4	0	0	0	110.9	T423 T436 I437 Q489 A493	T423-W425 WeakPolarHBondContact OG1-CZ3 3.41Å; W425-T436 HydrophobicContact CD2-CG2 4.22Å; W425-T436 HydrophobicContact CG-CG2 4.4Å; W425-T436 HydrophobicContact CZ2-CG2 4.17Å; W425-I437 WeakPolarHBondContact CB-O 3.4Å; W425-Q489 HydrophobicContact CH2-CB 3.98Å; W425-A493 HydrophobicContact CD2-CB 4.5Å; W425-A493 HydrophobicContact CE3-CB 3.79Å; W425-A493 HydrophobicContact CZ3-CB 4.15Å
426	A	89.6	Confident	90.8	Very high	14 Å²	14	40 Å²	40	12%	0.116	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-67.9	135	174.4	0	0	0	0	0	110	T428 K569	A426-T428 PolarHBondContact O-N 2.89Å; A426-K569 HydrophobicContact CB-CB 4.46Å; A426-K569 HydrophobicContact CB-CD 4.17Å; A426-K569 HydrophobicContact CB-CG 3.89Å
427	P	88.2	Confident	90.6	Very high	22 Å²	22	40.8 Å²	40.8	14%	0.143	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-55.9	133.4	172.9	-24.9	32.9	0	0	0	111.8	F298 L316 L565 S566	F298-P427 HydrophobicContact CE1-CB 4.21Å; F298-P427 HydrophobicContact CZ-CB 3.64Å; L316-P427 HydrophobicContact CD1-CG 4.46Å; L316-P427 HydrophobicContact CD2-CB 4.16Å; L316-P427 HydrophobicContact CD2-CG 3.94Å; P427-L565 HydrophobicContact CG-CB 4.49Å; P427-L565 HydrophobicContact CG-CD2 3.94Å; P427-S566 WeakPolarHBondContact CD-O 3.34Å
428	T	85.5	Confident	90.5	Very high	41 Å²	41	32.7 Å²	32.7	25%	0.252	17%	0.173	S	C	.	.	P	Polyproline II helix	trans	-102.6	150.6	176.6	51.3	0	0	0	0	110.7	A426 Q432 S433 D435	A426-T428 PolarHBondContact O-N 2.89Å; T428-Q432 PolarHBondContact OG1-O 2.85Å; T428-S433 WeakPolarHBondContact OG1-CA 3.43Å; T428-S433 PolarHBondContact OG1-O 3.46Å; T428-D435 PolarHBondContact OG1-O 2.93Å
429	I	89.3	Confident	90.4	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.031	16%	0.163	C	C	.	.			trans	-123.5	168.9	172.5	64.1	159.3	0	0	0	110.3	L291 F298 I320 Y324 L327	L291-I429 HydrophobicContact CD2-CD1 3.52Å; L291-I429 HydrophobicContact CD2-CG1 3.75Å; F298-I429 HydrophobicContact CD2-CG2 4.19Å; F298-I429 HydrophobicContact CE2-CG2 3.46Å; F298-I429 VanDerWaalsContact CE2-CG2 3.46Å; F298-I429 HydrophobicContact CZ-CG2 4.41Å; I320-I429 HydrophobicContact CB-CD1 4.19Å; I320-I429 HydrophobicContact CD1-CD1 4.05Å; I320-I429 HydrophobicContact CD1-CG1 4.41Å; I320-I429 HydrophobicContact CD1-CG2 3.81Å; I320-I429 HydrophobicContact CG1-CD1 3.78Å; I320-I429 HydrophobicContact CG1-CG1 4.14Å; I320-I429 HydrophobicContact CG1-CG2 4.4Å; I320-I429 HydrophobicContact CG2-CD1 3.44Å; I320-I429 VanDerWaalsContact CG2-CD1 3.44Å; Y324-I429 HydrophobicContact CD2-CD1 4.01Å; Y324-I429 HydrophobicContact CE2-CD1 4.04Å; Y324-I429 HydrophobicContact CE2-CG1 4.08Å; L327-I429 HydrophobicContact CD1-CD1 4.17Å
430	G	90.2	Very high	90.4	Very high	5 Å²	5	30.9 Å²	30.9	5%	0.052	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	84.1	-153	175.2	0	0	0	0	0	112.3	Q432 S433	G430-Q432 PolarHBondContact O-N 3.34Å; G430-S433 WeakPolarHBondContact O-CB 3.42Å; G430-S433 PolarHBondContact O-N 3.41Å; G430-S433 PolarHBondContact O-OG 3.25Å
431	F	87.1	Confident	90.4	Very high	30 Å²	30	30.9 Å²	30.9	13%	0.132	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-62.6	-33.2	-175.1	-178.9	-107.9	0	0	0	113.3	K269 I272 K273 V279 F286 S433	K269-F431 HydrophobicContact CB-CE2 4.21Å; K269-F431 HydrophobicContact CG-CE2 3.85Å; K269-F431 HydrophobicContact CG-CZ 4.5Å; I272-F431 HydrophobicContact CB-CE2 4.33Å; I272-F431 HydrophobicContact CB-CZ 3.8Å; I272-F431 HydrophobicContact CG2-CE1 3.66Å; I272-F431 HydrophobicContact CG2-CE2 4.2Å; I272-F431 HydrophobicContact CG2-CZ 3.42Å; I272-F431 VanDerWaalsContact CG2-CZ 3.42Å; K273-F431 HydrophobicContact CG-CE1 4.33Å; K273-F431 HydrophobicContact CG-CZ 3.77Å; V279-F431 HydrophobicContact CB-CB 4.44Å; V279-F431 HydrophobicContact CB-CD1 4.14Å; V279-F431 HydrophobicContact CB-CG 4.16Å; V279-F431 HydrophobicContact CG1-CB 4.12Å; V279-F431 HydrophobicContact CG1-CD1 4.23Å; V279-F431 HydrophobicContact CG1-CG 4.28Å; V279-F431 HydrophobicContact CG2-CB 4.13Å; V279-F431 HydrophobicContact CG2-CD1 4.43Å; V279-F431 HydrophobicContact CG2-CD2 4.11Å; V279-F431 HydrophobicContact CG2-CG 3.97Å; F286-F431 HydrophobicContact CD1-CD2 4.42Å; F286-F431 AromaticContact CE1-CD2 3.54Å; F286-F431 HydrophobicContact CE1-CD2 3.54Å; F286-F431 AromaticContact CE1-CE2 3.73Å; F286-F431 HydrophobicContact CE1-CE2 3.73Å; F286-F431 HydrophobicContact CZ-CD2 4.17Å; F286-F431 HydrophobicContact CZ-CE2 4.42Å; F431-S433 VanDerWaalsContact C-N 3.33Å
432	Q	80.4	Confident	90.4	Very high	122 Å²	122	30.9 Å²	30.9	57%	0.57	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-92.9	20.3	-179.4	-66.6	179.9	-27.7	0	0	112.8	T428 G430 E434 D435	T428-Q432 PolarHBondContact OG1-O 2.85Å; G430-Q432 PolarHBondContact O-N 3.34Å; Q432-E434 PolarHBondContact O-N 3.06Å; Q432-D435 HydrophobicContact CB-CB 4.38Å; Q432-D435 WeakPolarHBondContact CB-OD2 3.43Å; Q432-D435 WeakPolarHBondContact CG-OD2 3.37Å; Q432-D435 WeakPolarHBondContact O-CB 3.43Å; Q432-D435 PolarHBondContact O-N 3.47Å
433	S	77.4	Confident	90.5	Very high	65 Å²	65	30 Å²	30	46%	0.455	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.4	-177.6	66.7	0	0	0	0	114.6	T428 G430 F431	T428-S433 WeakPolarHBondContact OG1-CA 3.43Å; T428-S433 PolarHBondContact OG1-O 3.46Å; G430-S433 WeakPolarHBondContact O-CB 3.42Å; G430-S433 PolarHBondContact O-N 3.41Å; G430-S433 PolarHBondContact O-OG 3.25Å; F431-S433 VanDerWaalsContact C-N 3.33Å
434	E	75.2	Confident	90.5	Very high	95 Å²	95	29.9 Å²	29.9	44%	0.444	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-9.4	177.1	-68.9	167.2	-179.3	0	0	112.6	K269 K273 Q432 T436	K269-E434 VanDerWaalsContact NZ-CD 3.25Å; K269-E434 IonicContact NZ-OE1 3.88Å; K269-E434 PolarHBondContact NZ-OE1 3.19Å; K269-E434 IonicContact NZ-OE2 3.12Å; K269-E434 PolarHBondContact NZ-OE2 2.89Å; K273-E434 IonicContact NZ-OE2 2.78Å; K273-E434 PolarHBondContact NZ-OE2 3.18Å; Q432-E434 PolarHBondContact O-N 3.06Å; E434-T436 PolarHBondContact O-N 3.1Å
435	D	79.9	Confident	90.6	Very high	64 Å²	64	29.1 Å²	29.1	34%	0.342	15%	0.154	S	C	.	.			trans	-82.6	119.4	180	-62.1	-21.7	0	0	0	108.6	T428 Q432	T428-D435 PolarHBondContact OG1-O 2.93Å; Q432-D435 HydrophobicContact CB-CB 4.38Å; Q432-D435 WeakPolarHBondContact CB-OD2 3.43Å; Q432-D435 WeakPolarHBondContact CG-OD2 3.37Å; Q432-D435 WeakPolarHBondContact O-CB 3.43Å; Q432-D435 PolarHBondContact O-N 3.47Å
436	T	88.3	Confident	90.8	Very high	22 Å²	22	28.3 Å²	28.3	14%	0.135	16%	0.164	C	C	.	.			trans	-101.4	119.2	175.2	51.5	0	0	0	0	107.8	W425 E434 A493 S496	W425-T436 HydrophobicContact CD2-CG2 4.22Å; W425-T436 HydrophobicContact CG-CG2 4.4Å; W425-T436 HydrophobicContact CZ2-CG2 4.17Å; E434-T436 PolarHBondContact O-N 3.1Å; T436-A493 VanDerWaalsContact O-CA 3.32Å; T436-A493 WeakPolarHBondContact O-CA 3.25Å; T436-S496 WeakPolarHBondContact O-CB 3.33Å; T436-S496 PolarHBondContact O-OG 2.95Å
437	I	93.6	Very high	91.2	Very high	64 Å²	64	31.3 Å²	31.3	33%	0.328	18%	0.178	S	C	.	.			trans	-119.5	112.3	175.4	-56.9	175.4	0	0	0	107	W425 A439 A497	W425-I437 WeakPolarHBondContact CB-O 3.4Å; I437-A439 PolarHBondContact O-N 3.23Å; I437-A497 HydrophobicContact CG2-CB 3.88Å
438	A	96.7	Very high	91.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	129.3	-179.4	0	0	0	0	0	110.2	I454 A493 L494 A497	A438-I454 HydrophobicContact CB-CD1 3.44Å; A438-I454 VanDerWaalsContact CB-CD1 3.44Å; A438-A493 HydrophobicContact CB-CB 3.94Å; A438-A493 PolarHBondContact N-O 2.97Å; A438-L494 HydrophobicContact CB-CD2 4.04Å; A438-L494 HydrophobicContact CB-CG 4.45Å; A438-A497 HydrophobicContact CB-CB 4.18Å; A438-A497 WeakPolarHBondContact O-CB 3.26Å
439	A	96.8	Very high	92.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	-21.2	174.1	0	0	0	0	0	111.8	E424 I437 I454 W568 K569 R571	E424-A439 PolarHBondContact O-N 3.05Å; I437-A439 PolarHBondContact O-N 3.23Å; A439-I454 PolarHBondContact O-N 3.05Å; A439-W568 HydrophobicContact CB-CB 4.06Å; A439-W568 WeakPolarHBondContact CB-O 3.33Å; A439-K569 HydrophobicContact CB-CG 3.85Å; A439-R571 PolarHBondContact O-NH2 3.09Å; A439-R571 VanDerWaalsContact O-NH2 3.12Å
440	L	98.1	Very high	92.7	Very high	1 Å²	1	30 Å²	30	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	137.7	179.3	-158.8	69.3	0	0	0	109.7	T423 E424 Q442 L451 V452 E453 W568 L573 A581	T423-L440 WeakPolarHBondContact CA-O 3.46Å; T423-L440 WeakPolarHBondContact CB-O 3.16Å; E424-L440 HydrophobicContact CB-CB 4.22Å; E424-L440 PolarHBondContact N-O 2.87Å; E424-L440 PolarHBondContact O-N 3.41Å; E424-L440 VanDerWaalsContact O-N 3.1Å; L440-Q442 HydrophobicContact CD2-CG 4.18Å; L440-Q442 HydrophobicContact CG-CG 4.48Å; L440-L451 HydrophobicContact CD1-CB 4.18Å; L440-L451 HydrophobicContact CD2-CD2 4.24Å; L440-V452 WeakPolarHBondContact CA-O 3.49Å; L440-E453 HydrophobicContact CD1-CB 4.5Å; L440-E453 HydrophobicContact CD1-CG 3.83Å; L440-W568 HydrophobicContact CD2-CE3 4.34Å; L440-W568 HydrophobicContact CD2-CZ3 4.26Å; L440-L573 HydrophobicContact CD1-CD1 4.29Å; L440-L573 HydrophobicContact CD2-CD1 4Å; L440-A581 HydrophobicContact CD2-CB 3.88Å
441	L	98.4	Very high	93.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126	163	162.4	73.9	0	0	0	107.9	F406 D422 T423 M443 V452 I454 F470 F486 L494	F406-L441 HydrophobicContact CE2-CD2 4.3Å; F406-L441 HydrophobicContact CZ-CD2 3.85Å; D422-L441 WeakPolarHBondContact O-CD1 3.41Å; T423-L441 HydrophobicContact CG2-CD1 4.03Å; L441-M443 HydrophobicContact CD2-CG 4.49Å; L441-M443 HydrophobicContact CD2-SD 4.35Å; L441-M443 HydrophobicContact CG-CG 4.24Å; L441-V452 HydrophobicContact CB-CB 4.08Å; L441-V452 HydrophobicContact CD2-CB 4.44Å; L441-V452 HydrophobicContact CD2-CG2 4.3Å; L441-V452 HydrophobicContact CG-CB 4.47Å; L441-V452 HydrophobicContact CG-CG2 4.45Å; L441-V452 PolarHBondContact N-O 3.35Å; L441-V452 WeakPolarHBondContact O-CB 3.33Å; L441-V452 PolarHBondContact O-N 3.37Å; L441-I454 HydrophobicContact CB-CD1 4.4Å; L441-F470 HydrophobicContact CD2-CE1 3.9Å; L441-F470 HydrophobicContact CD2-CZ 4.45Å; L441-F486 HydrophobicContact CD1-CZ 4.39Å; L441-L494 HydrophobicContact CB-CD2 4.43Å
442	Q	98.5	Very high	93.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	142.7	177.2	-57.6	91.3	-22.4	0	0	110.6	L421 D422 L440 Y450 L451 A581 V585	L421-Q442 WeakPolarHBondContact CA-O 3.11Å; D422-Q442 PolarHBondContact N-O 3.45Å; D422-Q442 PolarHBondContact O-N 2.97Å; D422-Q442 PolarHBondContact O-OE1 3.09Å; L440-Q442 HydrophobicContact CD2-CG 4.18Å; L440-Q442 HydrophobicContact CG-CG 4.48Å; Q442-Y450 CarbonylContact C-O 3.54Å; Q442-Y450 WeakPolarHBondContact CA-O 3.3Å; Q442-L451 HydrophobicContact CB-CD2 4.2Å; Q442-L451 HydrophobicContact CG-CD2 3.61Å; Q442-A581 HydrophobicContact CG-CB 4Å; Q442-V585 HydrophobicContact CB-CB 4.27Å; Q442-V585 HydrophobicContact CB-CG1 3.51Å; Q442-V585 HydrophobicContact CB-CG2 3.71Å
443	M	98.5	Very high	94.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	111.5	176.7	-50.3	173.7	57.1	0	0	110.7	F406 A420 L421 L441 I445 V449 Y450 V452 L473	F406-M443 HydrophobicContact CD2-SD 4.25Å; F406-M443 HydrophobicContact CE2-CE 4.36Å; F406-M443 HydrophobicContact CE2-SD 3.6Å; F406-M443 VanDerWaalsContact CE2-SD 3.6Å; A420-M443 CarbonylContact O-C 3.59Å; A420-M443 VanDerWaalsContact O-CA 3.24Å; A420-M443 WeakPolarHBondContact O-CA 3.25Å; L421-M443 HydrophobicContact CD2-CB 4.11Å; L421-M443 HydrophobicContact CD2-CE 4.34Å; L421-M443 HydrophobicContact CD2-CG 3.67Å; L441-M443 HydrophobicContact CD2-CG 4.49Å; L441-M443 HydrophobicContact CD2-SD 4.35Å; L441-M443 HydrophobicContact CG-CG 4.24Å; M443-I445 HydrophobicContact CE-CD1 4.12Å; M443-V449 CarbonylContact O-C 3.17Å; M443-V449 WeakPolarHBondContact O-CA 3.48Å; M443-Y450 PolarHBondContact N-O 3.27Å; M443-Y450 PolarHBondContact O-N 3.36Å; M443-V452 HydrophobicContact SD-CG2 4.1Å; M443-L473 HydrophobicContact CE-CD1 3.76Å; M443-L473 HydrophobicContact CE-CD2 3.5Å; M443-L473 VanDerWaalsContact CE-CD2 3.5Å; M443-L473 HydrophobicContact CE-CG 4.28Å; M443-L473 HydrophobicContact SD-CD2 4Å
444	A	98.7	Very high	95.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.3	170.2	0	0	0	0	0	110.8	A419 A420 V449 V585 Y586 L589	A419-A444 WeakPolarHBondContact CA-O 3.15Å; A420-A444 HydrophobicContact CB-CB 4.21Å; A420-A444 PolarHBondContact N-O 3.47Å; A420-A444 PolarHBondContact O-N 2.91Å; A444-V449 HydrophobicContact CB-CG2 4.05Å; A444-V585 HydrophobicContact CB-CB 3.88Å; A444-V585 HydrophobicContact CB-CG2 3.77Å; A444-Y586 HydrophobicContact CB-CD2 4.41Å; A444-L589 HydrophobicContact CB-CD1 3.64Å; A444-L589 HydrophobicContact CB-CG 4.07Å
445	I	98.6	Very high	96.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	110.1	-179	-56.1	158.3	0	0	0	108.2	A409 H412 A413 A416 A419 M443 N447 I448 Y450	A409-I445 WeakPolarHBondContact O-CD1 3.29Å; H412-I445 PolarHBondContact CE1-O 3.42Å; A413-I445 HydrophobicContact CB-CD1 3.68Å; A413-I445 HydrophobicContact CB-CG1 4.21Å; A416-I445 HydrophobicContact CB-CG2 3.58Å; A419-I445 HydrophobicContact CB-CG1 3.95Å; M443-I445 HydrophobicContact CE-CD1 4.12Å; I445-N447 PolarHBondContact O-N 3.47Å; I445-I448 PolarHBondContact N-O 2.99Å; I445-I448 PolarHBondContact O-N 2.98Å; I445-Y450 HydrophobicContact CB-CE2 4.46Å; I445-Y450 HydrophobicContact CD1-CD2 3.93Å; I445-Y450 HydrophobicContact CD1-CE2 3.81Å
446	G	97.3	Very high	97.3	Very high	43 Å²	43	16.6 Å²	16.6	44%	0.443	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	-122.2	-173.4	0	0	0	0	0	111.2
447	N	97.5	Very high	97.8	Very high	78 Å²	78	15.6 Å²	15.6	42%	0.417	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	20.5	176.9	-66.9	-24.6	0	0	0	113	N394 V395 F396 I445	N394-N447 PolarHBondContact ND2-ND2 2.94Å; N394-N447 PolarHBondContact ND2-OD1 3.18Å; V395-N447 CarbonylContact C-O 3.55Å; V395-N447 WeakPolarHBondContact CA-O 3.4Å; F396-N447 PolarHBondContact N-O 2.89Å; I445-N447 PolarHBondContact O-N 3.47Å
448	I	98.6	Very high	98	Very high	28 Å²	28	15.4 Å²	15.4	14%	0.144	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.9	178.5	-53.5	-177.9	0	0	0	109.3	F396 R398 I445 Y450	F396-I448 CarbonylContact O-C 3.55Å; F396-I448 WeakPolarHBondContact O-CA 3.31Å; R398-I448 HydrophobicContact CG-CG2 4.1Å; I445-I448 PolarHBondContact N-O 2.99Å; I445-I448 PolarHBondContact O-N 2.98Å; I448-Y450 HydrophobicContact CB-CE2 3.98Å; I448-Y450 HydrophobicContact CG2-CD2 4Å; I448-Y450 HydrophobicContact CG2-CE1 4.16Å; I448-Y450 HydrophobicContact CG2-CE2 3.51Å; I448-Y450 HydrophobicContact CG2-CG 4.49Å
449	V	98.8	Very high	98	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.7	166.7	179.2	0	0	0	0	109.1	V395 F396 I397 R398 M443 A444 L451 A582 V585 Y586	V395-V449 HydrophobicContact CG1-CG2 3.9Å; F396-V449 PolarHBondContact O-N 3.15Å; I397-V449 CarbonylContact C-O 3.57Å; I397-V449 WeakPolarHBondContact CA-O 3.28Å; R398-V449 PolarHBondContact N-O 2.69Å; M443-V449 CarbonylContact O-C 3.17Å; M443-V449 WeakPolarHBondContact O-CA 3.48Å; A444-V449 HydrophobicContact CB-CG2 4.05Å; V449-L451 HydrophobicContact CG1-CD2 3.84Å; V449-L451 HydrophobicContact CG1-CG 4.41Å; V449-A582 HydrophobicContact CB-CB 4.25Å; V449-A582 HydrophobicContact CG1-CB 4Å; V449-A582 HydrophobicContact CG2-CB 4.17Å; V449-V585 HydrophobicContact CG1-CG2 3.91Å; V449-V585 HydrophobicContact CG2-CG2 4.48Å; V449-Y586 HydrophobicContact CG2-CD2 4.37Å
450	Y	98.8	Very high	98.1	Very high	13 Å²	13	27 Å²	27	5%	0.051	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	128.6	170.6	-58.4	-95.8	0	0	0	109.3	R398 V400 A409 H412 Q442 M443 I445 I448	R398-Y450 HydrophobicContact CB-CD1 3.93Å; R398-Y450 HydrophobicContact CB-CE1 4.23Å; R398-Y450 CarbonylContact O-C 3.54Å; R398-Y450 VanDerWaalsContact O-CA 3.28Å; R398-Y450 WeakPolarHBondContact O-CA 3.39Å; V400-Y450 HydrophobicContact CG2-CD1 3.79Å; V400-Y450 HydrophobicContact CG2-CG 4.41Å; A409-Y450 HydrophobicContact CB-CD1 3.51Å; A409-Y450 HydrophobicContact CB-CD2 3.96Å; A409-Y450 HydrophobicContact CB-CE1 3.68Å; A409-Y450 HydrophobicContact CB-CE2 4.14Å; A409-Y450 HydrophobicContact CB-CG 3.64Å; H412-Y450 AromaticContact ND1-CE2 3.65Å; H412-Y450 AromaticContact ND1-CZ 3.75Å; H412-Y450 PolarHBondContact ND1-OH 3.29Å; Q442-Y450 CarbonylContact C-O 3.54Å; Q442-Y450 WeakPolarHBondContact CA-O 3.3Å; M443-Y450 PolarHBondContact N-O 3.27Å; M443-Y450 PolarHBondContact O-N 3.36Å; I445-Y450 HydrophobicContact CB-CE2 4.46Å; I445-Y450 HydrophobicContact CD1-CD2 3.93Å; I445-Y450 HydrophobicContact CD1-CE2 3.81Å; I448-Y450 HydrophobicContact CB-CE2 3.98Å; I448-Y450 HydrophobicContact CG2-CD2 4Å; I448-Y450 HydrophobicContact CG2-CE1 4.16Å; I448-Y450 HydrophobicContact CG2-CE2 3.51Å; I448-Y450 HydrophobicContact CG2-CG 4.49Å
451	L	98.7	Very high	98.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	99.5	173.5	-59.6	-175.4	0	0	0	107.7	I397 R398 F399 V400 L440 Q442 V449 E453 V578 A581	I397-L451 HydrophobicContact CG2-CD1 3.64Å; I397-L451 HydrophobicContact CG2-CG 3.9Å; R398-L451 PolarHBondContact O-N 3.34Å; F399-L451 WeakPolarHBondContact CA-O 3.16Å; F399-L451 HydrophobicContact CD1-CB 4.3Å; F399-L451 HydrophobicContact CE1-CD1 4.2Å; F399-L451 HydrophobicContact CZ-CD1 4.3Å; V400-L451 PolarHBondContact N-O 3.13Å; L440-L451 HydrophobicContact CD1-CB 4.18Å; L440-L451 HydrophobicContact CD2-CD2 4.24Å; Q442-L451 HydrophobicContact CB-CD2 4.2Å; Q442-L451 HydrophobicContact CG-CD2 3.61Å; V449-L451 HydrophobicContact CG1-CD2 3.84Å; V449-L451 HydrophobicContact CG1-CG 4.41Å; L451-E453 PolarHBondContact O-N 3.44Å; L451-V578 HydrophobicContact CD1-CG1 4.05Å; L451-A581 HydrophobicContact CD2-CB 4.03Å
452	V	98.7	Very high	98.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	104.5	-178.4	-172.8	0	0	0	0	108.9	V400 F406 L440 L441 M443 I454 L457	V400-V452 HydrophobicContact CB-CB 4.28Å; V400-V452 HydrophobicContact CB-CG1 4.36Å; V400-V452 HydrophobicContact CB-CG2 3.94Å; V400-V452 HydrophobicContact CG1-CB 4.48Å; V400-V452 HydrophobicContact CG1-CG1 4.08Å; V400-V452 HydrophobicContact CG1-CG2 4.15Å; V400-V452 HydrophobicContact CG2-CG2 4.35Å; V400-V452 WeakPolarHBondContact O-CA 3.3Å; F406-V452 HydrophobicContact CD1-CG1 4.5Å; F406-V452 HydrophobicContact CD2-CG2 4.22Å; F406-V452 HydrophobicContact CE2-CG2 4.27Å; L440-V452 WeakPolarHBondContact CA-O 3.49Å; L441-V452 HydrophobicContact CB-CB 4.08Å; L441-V452 HydrophobicContact CD2-CB 4.44Å; L441-V452 HydrophobicContact CD2-CG2 4.3Å; L441-V452 HydrophobicContact CG-CB 4.47Å; L441-V452 HydrophobicContact CG-CG2 4.45Å; L441-V452 PolarHBondContact N-O 3.35Å; L441-V452 WeakPolarHBondContact O-CB 3.33Å; L441-V452 PolarHBondContact O-N 3.37Å; M443-V452 HydrophobicContact SD-CG2 4.1Å; V452-I454 PolarHBondContact O-N 3.27Å; V452-L457 HydrophobicContact CG1-CD2 3.88Å
453	E	98.1	Very high	98.1	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.009	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	100.2	178.7	-66.4	-179.1	150.6	0	0	108.8	F399 V400 R401 L440 L451 D455 E456 L457 R571	F399-E453 HydrophobicContact CD1-CG 4.19Å; F399-E453 WeakPolarHBondContact CD1-OE1 3.2Å; F399-E453 WeakPolarHBondContact CE1-OE1 3.3Å; V400-E453 PolarHBondContact O-N 3.18Å; R401-E453 WeakPolarHBondContact CG-OE2 3.47Å; R401-E453 IonicContact CZ-OE2 2.76Å; R401-E453 IonicContact NE-OE2 2.81Å; R401-E453 PolarHBondContact NE-OE2 3.47Å; R401-E453 IonicContact NH2-OE1 2.75Å; R401-E453 IonicContact NH2-OE2 2.99Å; L440-E453 HydrophobicContact CD1-CB 4.5Å; L440-E453 HydrophobicContact CD1-CG 3.83Å; L451-E453 PolarHBondContact O-N 3.44Å; E453-D455 PolarHBondContact O-N 3.49Å; E453-E456 HydrophobicContact CB-CB 4.03Å; E453-E456 HydrophobicContact CB-CG 4Å; E453-E456 PolarHBondContact O-N 3.5Å; E453-E456 VanDerWaalsContact O-N 3.08Å; E453-L457 PolarHBondContact O-N 2.77Å; E453-R571 WeakPolarHBondContact OE1-CD 3.33Å; E453-R571 IonicContact OE1-CZ 3.27Å; E453-R571 IonicContact OE1-NE 2.77Å; E453-R571 PolarHBondContact OE1-NE 3.38Å; E453-R571 VanDerWaalsContact OE1-NE 3.11Å; E453-R571 IonicContact OE2-NE 4Å
454	I	97.9	Very high	98	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-61.5	-42.4	-167.1	-62.6	173.7	0	0	0	111.9	A438 A439 L441 V452 E456 L457 V458 L494 A497 V498	A438-I454 HydrophobicContact CB-CD1 3.44Å; A438-I454 VanDerWaalsContact CB-CD1 3.44Å; A439-I454 PolarHBondContact O-N 3.05Å; L441-I454 HydrophobicContact CB-CD1 4.4Å; V452-I454 PolarHBondContact O-N 3.27Å; I454-E456 VanDerWaalsContact C-N 3.3Å; I454-E456 PolarHBondContact O-N 2.72Å; I454-L457 WeakPolarHBondContact O-CB 3.34Å; I454-L457 PolarHBondContact O-N 2.84Å; I454-V458 HydrophobicContact CG2-CG2 4.37Å; I454-V458 WeakPolarHBondContact O-CG2 3.5Å; I454-V458 PolarHBondContact O-N 2.97Å; I454-L494 HydrophobicContact CD1-CD2 3.78Å; I454-A497 HydrophobicContact CD1-CB 4.48Å; I454-A497 HydrophobicContact CG2-CB 3.96Å; I454-V498 HydrophobicContact CG2-CG1 4.11Å
455	D	95.9	Very high	98	Very high	65 Å²	65	42.2 Å²	42.2	35%	0.348	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-36.7	177.5	-70	-23.2	0	0	0	112.5	E453 R459	E453-D455 PolarHBondContact O-N 3.49Å; D455-R459 WeakPolarHBondContact O-CB 3.32Å; D455-R459 PolarHBondContact O-N 3.07Å; D455-R459 VanDerWaalsContact O-N 3.11Å
456	E	97.6	Very high	98	Very high	32 Å²	32	42.3 Å²	42.3	15%	0.15	23%	0.233	C	C	.	.	H	α-helix	trans	-72.2	-43.7	175.8	-64.9	-58.1	139.9	0	0	110.8	R401 E453 I454 V458 R459 N460	R401-E456 HydrophobicContact CB-CB 3.87Å; R401-E456 HydrophobicContact CG-CB 3.95Å; R401-E456 HydrophobicContact CG-CG 4.23Å; R401-E456 CarbonylContact O-C 3.56Å; R401-E456 VanDerWaalsContact O-O 3.05Å; E453-E456 HydrophobicContact CB-CB 4.03Å; E453-E456 HydrophobicContact CB-CG 4Å; E453-E456 PolarHBondContact O-N 3.5Å; E453-E456 VanDerWaalsContact O-N 3.08Å; I454-E456 VanDerWaalsContact C-N 3.3Å; I454-E456 PolarHBondContact O-N 2.72Å; E456-V458 VanDerWaalsContact C-N 3.31Å; E456-V458 PolarHBondContact O-N 3.16Å; E456-R459 PolarHBondContact O-N 3.05Å; E456-R459 VanDerWaalsContact O-N 3.14Å; E456-R459 IonicContact OE1-CZ 3.15Å; E456-R459 VanDerWaalsContact OE1-CZ 3.28Å; E456-R459 IonicContact OE1-NH1 2.9Å; E456-R459 PolarHBondContact OE1-NH1 2.9Å; E456-R459 IonicContact OE1-NH2 2.63Å; E456-R459 PolarHBondContact OE1-NH2 3.34Å; E456-R459 VanDerWaalsContact OE1-NH2 3.13Å; E456-R459 IonicContact OE2-CZ 3.93Å; E456-R459 IonicContact OE2-NH1 2.93Å; E456-R459 PolarHBondContact OE2-NH1 2.93Å; E456-N460 WeakPolarHBondContact O-CB 3.1Å; E456-N460 VanDerWaalsContact O-CG 3.27Å; E456-N460 PolarHBondContact O-N 3.17Å; E456-N460 PolarHBondContact O-ND2 2.87Å; E456-N460 PolarHBondContact OE2-ND2 2.68Å
457	L	98.1	Very high	98.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-55	-47.4	175.8	175.8	65.2	0	0	0	111.1	R401 A403 F406 V452 E453 I454 S461 I466 F470	R401-L457 WeakPolarHBondContact O-CA 3.38Å; R401-L457 PolarHBondContact O-N 3.23Å; A403-L457 HydrophobicContact CB-CD1 4.33Å; F406-L457 HydrophobicContact CB-CD1 4.38Å; F406-L457 HydrophobicContact CD1-CD1 4.3Å; F406-L457 HydrophobicContact CD1-CD2 3.74Å; F406-L457 HydrophobicContact CE1-CD2 4.07Å; V452-L457 HydrophobicContact CG1-CD2 3.88Å; E453-L457 PolarHBondContact O-N 2.77Å; I454-L457 WeakPolarHBondContact O-CB 3.34Å; I454-L457 PolarHBondContact O-N 2.84Å; L457-S461 VanDerWaalsContact O-CB 3.3Å; L457-S461 WeakPolarHBondContact O-CB 3.33Å; L457-S461 PolarHBondContact O-N 2.63Å; L457-I466 HydrophobicContact CD1-CG1 4.1Å; L457-I466 HydrophobicContact CD2-CG1 4.5Å; L457-I466 HydrophobicContact CD2-CG2 4.23Å; L457-I466 HydrophobicContact CG-CD1 4.17Å; L457-I466 HydrophobicContact CG-CG1 3.99Å; L457-F470 HydrophobicContact CD2-CE2 4.15Å
458	V	97.6	Very high	98.1	Very high	61 Å²	61	41.7 Å²	41.7	37%	0.37	22%	0.217	S	C	.	.	H	α-helix	trans	-66.2	-38.5	178.2	173.7	0	0	0	0	111.6	I454 E456 I466 V498 F500	I454-V458 HydrophobicContact CG2-CG2 4.37Å; I454-V458 WeakPolarHBondContact O-CG2 3.5Å; I454-V458 PolarHBondContact O-N 2.97Å; E456-V458 VanDerWaalsContact C-N 3.31Å; E456-V458 PolarHBondContact O-N 3.16Å; V458-I466 HydrophobicContact CG2-CD1 4.32Å; V458-V498 HydrophobicContact CG2-CG1 3.75Å; V458-F500 HydrophobicContact CG2-CZ 4.5Å
459	R	97.5	Very high	98.1	Very high	161 Å²	161	40.3 Å²	40.3	61%	0.608	21%	0.21	S	C	*	.	H	α-helix	trans	-70.2	-36.6	-180	-166.8	-174.3	-53	136.3	11.4	112.9	D455 E456	D455-R459 WeakPolarHBondContact O-CB 3.32Å; D455-R459 PolarHBondContact O-N 3.07Å; D455-R459 VanDerWaalsContact O-N 3.11Å; E456-R459 PolarHBondContact O-N 3.05Å; E456-R459 VanDerWaalsContact O-N 3.14Å; E456-R459 IonicContact OE1-CZ 3.15Å; E456-R459 VanDerWaalsContact OE1-CZ 3.28Å; E456-R459 IonicContact OE1-NH1 2.9Å; E456-R459 PolarHBondContact OE1-NH1 2.9Å; E456-R459 IonicContact OE1-NH2 2.63Å; E456-R459 PolarHBondContact OE1-NH2 3.34Å; E456-R459 VanDerWaalsContact OE1-NH2 3.13Å; E456-R459 IonicContact OE2-CZ 3.93Å; E456-R459 IonicContact OE2-NH1 2.93Å; E456-R459 PolarHBondContact OE2-NH1 2.93Å
460	N	98.3	Very high	98.1	Very high	82 Å²	82	40.3 Å²	40.3	44%	0.439	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	11.5	-168.8	-56.3	-40.4	0	0	0	113	R401 D402 E456	R401-N460 WeakPolarHBondContact O-CB 3.42Å; R401-N460 PolarHBondContact O-ND2 3.24Å; D402-N460 HydrophobicContact CB-CB 4.17Å; E456-N460 WeakPolarHBondContact O-CB 3.1Å; E456-N460 VanDerWaalsContact O-CG 3.27Å; E456-N460 PolarHBondContact O-N 3.17Å; E456-N460 PolarHBondContact O-ND2 2.87Å; E456-N460 PolarHBondContact OE2-ND2 2.68Å
461	S	98.3	Very high	98	Very high	27 Å²	27	43.1 Å²	43.1	19%	0.189	22%	0.223	C	C	.	.	S	Bend	trans	-149.1	156.6	-177.4	-62.9	0	0	0	0	113.2	D402 A403 L457	D402-S461 WeakPolarHBondContact CA-OG 3.39Å; A403-S461 WeakPolarHBondContact CB-OG 3.46Å; A403-S461 PolarHBondContact N-OG 3.42Å; L457-S461 VanDerWaalsContact O-CB 3.3Å; L457-S461 WeakPolarHBondContact O-CB 3.33Å; L457-S461 PolarHBondContact O-N 2.63Å
462	S	98	Very high	98	Very high	54 Å²	54	45.5 Å²	45.5	38%	0.378	23%	0.234	S	C	.	.			trans	-71.4	148.9	174.6	81.4	0	0	0	0	110.8	Q464 D465 I466	S462-Q464 PolarHBondContact O-N 2.69Å; S462-D465 PolarHBondContact O-N 2.97Å; S462-D465 WeakPolarHBondContact OG-CB 3.39Å; S462-D465 VanDerWaalsContact OG-CG 3.27Å; S462-D465 PolarHBondContact OG-N 3.21Å; S462-D465 PolarHBondContact OG-OD2 3.39Å; S462-I466 VanDerWaalsContact O-CG1 3.31Å; S462-I466 WeakPolarHBondContact O-CG1 3.45Å; S462-I466 PolarHBondContact O-N 3.26Å; S462-I466 VanDerWaalsContact O-N 3.09Å
463	A	97.6	Very high	98	Very high	48 Å²	48	45.5 Å²	45.5	40%	0.397	23%	0.234	S	C	.	.	H	α-helix	trans	-56	-37	174.3	0	0	0	0	0	111.7	I466 I467 F500	A463-I466 PolarHBondContact O-N 3.22Å; A463-I467 WeakPolarHBondContact O-CB 3.44Å; A463-I467 WeakPolarHBondContact O-CD1 3.38Å; A463-I467 WeakPolarHBondContact O-CG1 3.36Å; A463-I467 PolarHBondContact O-N 2.84Å; A463-F500 HydrophobicContact CB-CD2 4.14Å; A463-F500 HydrophobicContact CB-CE2 4.12Å; A463-F500 HydrophobicContact CB-CG 4.45Å; A463-F500 HydrophobicContact CB-CZ 4.45Å
464	Q	98.1	Very high	98	Very high	132 Å²	132	45.4 Å²	45.4	62%	0.617	23%	0.234	S	C	*	.	H	α-helix	trans	-65.4	-42.6	178.8	-171.3	62.2	25.2	0	0	112.4	S462 I466 I467 Q468	S462-Q464 PolarHBondContact O-N 2.69Å; Q464-I466 VanDerWaalsContact C-N 3.32Å; Q464-I466 PolarHBondContact O-N 2.73Å; Q464-I467 PolarHBondContact O-N 2.76Å; Q464-Q468 WeakPolarHBondContact O-CB 3.48Å; Q464-Q468 PolarHBondContact O-N 3.23Å
465	D	98.4	Very high	98	Very high	60 Å²	60	46.7 Å²	46.7	32%	0.321	24%	0.242	S	C	.	.	H	α-helix	trans	-66.1	-37.5	177.3	-75.6	-58.2	0	0	0	112.2	A403 K407 S462 Q468 A469	A403-D465 HydrophobicContact CB-CB 3.58Å; K407-D465 IonicContact NZ-OD1 3.95Å; K407-D465 PolarHBondContact NZ-OD1 3.19Å; S462-D465 PolarHBondContact O-N 2.97Å; S462-D465 WeakPolarHBondContact OG-CB 3.39Å; S462-D465 VanDerWaalsContact OG-CG 3.27Å; S462-D465 PolarHBondContact OG-N 3.21Å; S462-D465 PolarHBondContact OG-OD2 3.39Å; D465-Q468 PolarHBondContact O-N 2.88Å; D465-A469 WeakPolarHBondContact O-CB 3.38Å; D465-A469 PolarHBondContact O-N 3.32Å
466	I	98.5	Very high	98.1	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-66.3	-48.5	176.1	-64.5	168.7	0	0	0	110	L457 V458 S462 A463 Q464 Q468 A469 F470 F500	L457-I466 HydrophobicContact CD1-CG1 4.1Å; L457-I466 HydrophobicContact CD2-CG1 4.5Å; L457-I466 HydrophobicContact CD2-CG2 4.23Å; L457-I466 HydrophobicContact CG-CD1 4.17Å; L457-I466 HydrophobicContact CG-CG1 3.99Å; V458-I466 HydrophobicContact CG2-CD1 4.32Å; S462-I466 VanDerWaalsContact O-CG1 3.31Å; S462-I466 WeakPolarHBondContact O-CG1 3.45Å; S462-I466 PolarHBondContact O-N 3.26Å; S462-I466 VanDerWaalsContact O-N 3.09Å; A463-I466 PolarHBondContact O-N 3.22Å; Q464-I466 VanDerWaalsContact C-N 3.32Å; Q464-I466 PolarHBondContact O-N 2.73Å; I466-Q468 VanDerWaalsContact C-N 3.28Å; I466-Q468 PolarHBondContact O-N 3.06Å; I466-A469 PolarHBondContact O-N 3.36Å; I466-F470 HydrophobicContact CG2-CD2 3.55Å; I466-F470 HydrophobicContact CG2-CE2 3.56Å; I466-F470 VanDerWaalsContact O-CD2 3.32Å; I466-F470 WeakPolarHBondContact O-CD2 3.48Å; I466-F470 PolarHBondContact O-N 3.14Å; I466-F500 HydrophobicContact CB-CE2 4.09Å; I466-F500 HydrophobicContact CD1-CZ 4.25Å; I466-F500 HydrophobicContact CG2-CE2 3.8Å; I466-F500 HydrophobicContact CG2-CZ 4.18Å
467	I	98.5	Very high	98	Very high	34 Å²	34	47.5 Å²	47.5	17%	0.174	25%	0.253	C	S	.	.	H	α-helix	trans	-54.2	-48.1	175.2	-72.2	163.1	0	0	0	109.9	A463 Q464 A469 F470 E471 F500 V504	A463-I467 WeakPolarHBondContact O-CB 3.44Å; A463-I467 WeakPolarHBondContact O-CD1 3.38Å; A463-I467 WeakPolarHBondContact O-CG1 3.36Å; A463-I467 PolarHBondContact O-N 2.84Å; Q464-I467 PolarHBondContact O-N 2.76Å; I467-A469 PolarHBondContact O-N 3.33Å; I467-F470 PolarHBondContact O-N 2.62Å; I467-E471 VanDerWaalsContact O-CB 3.23Å; I467-E471 WeakPolarHBondContact O-CB 3.5Å; I467-E471 PolarHBondContact O-N 2.99Å; I467-F500 HydrophobicContact CD1-CD2 3.99Å; I467-F500 HydrophobicContact CG1-CD2 3.76Å; I467-F500 HydrophobicContact CG1-CE2 4.3Å; I467-V504 HydrophobicContact CG2-CG2 4.08Å
468	Q	98.3	Very high	98	Very high	74 Å²	74	50.7 Å²	50.7	35%	0.346	27%	0.272	S	S	.	.	H	α-helix	trans	-60.9	-46.9	179.5	-174.7	-176.2	3.8	0	0	111.7	Q464 D465 I466 F470 E471 E472	Q464-Q468 WeakPolarHBondContact O-CB 3.48Å; Q464-Q468 PolarHBondContact O-N 3.23Å; D465-Q468 PolarHBondContact O-N 2.88Å; I466-Q468 VanDerWaalsContact C-N 3.28Å; I466-Q468 PolarHBondContact O-N 3.06Å; Q468-F470 PolarHBondContact O-N 3.09Å; Q468-E471 PolarHBondContact O-N 3.27Å; Q468-E472 HydrophobicContact CG-CG 4.4Å; Q468-E472 WeakPolarHBondContact CG-OE1 3.4Å; Q468-E472 PolarHBondContact NE2-OE1 3.14Å; Q468-E472 WeakPolarHBondContact O-CB 3.34Å; Q468-E472 VanDerWaalsContact O-CG 3.31Å; Q468-E472 WeakPolarHBondContact O-CG 3.28Å; Q468-E472 PolarHBondContact O-N 2.85Å
469	A	98.3	Very high	98	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.7	-44.8	179.5	0	0	0	0	0	112	F406 K407 D465 I466 I467 L473	F406-A469 HydrophobicContact CB-CB 4.27Å; F406-A469 HydrophobicContact CD1-CB 3.57Å; F406-A469 HydrophobicContact CE1-CB 4.04Å; F406-A469 HydrophobicContact CG-CB 3.95Å; K407-A469 HydrophobicContact CG-CB 4.04Å; D465-A469 WeakPolarHBondContact O-CB 3.38Å; D465-A469 PolarHBondContact O-N 3.32Å; I466-A469 PolarHBondContact O-N 3.36Å; I467-A469 PolarHBondContact O-N 3.33Å; A469-L473 PolarHBondContact O-N 3.36Å
470	F	98.3	Very high	98.1	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-42.5	174.8	-84.1	-68.5	0	0	0	112	F406 L441 L457 I466 I467 Q468 L473 F474 V498 V504 F505	F406-F470 AromaticContact CE1-CD1 3.94Å; F406-F470 HydrophobicContact CE1-CD1 3.94Å; F406-F470 AromaticContact CE1-CD2 3.93Å; F406-F470 HydrophobicContact CE1-CD2 3.93Å; F406-F470 AromaticContact CE1-CE1 3.84Å; F406-F470 HydrophobicContact CE1-CE1 3.84Å; F406-F470 AromaticContact CE1-CE2 3.81Å; F406-F470 HydrophobicContact CE1-CE2 3.81Å; F406-F470 AromaticContact CE1-CG 3.99Å; F406-F470 HydrophobicContact CE1-CG 3.99Å; F406-F470 AromaticContact CE1-CZ 3.76Å; F406-F470 HydrophobicContact CE1-CZ 3.76Å; F406-F470 AromaticContact CZ-CD1 3.95Å; F406-F470 HydrophobicContact CZ-CD1 3.95Å; F406-F470 AromaticContact CZ-CE1 3.86Å; F406-F470 HydrophobicContact CZ-CE1 3.86Å; F406-F470 HydrophobicContact CZ-CG 4.38Å; F406-F470 HydrophobicContact CZ-CZ 4.21Å; L441-F470 HydrophobicContact CD2-CE1 3.9Å; L441-F470 HydrophobicContact CD2-CZ 4.45Å; L457-F470 HydrophobicContact CD2-CE2 4.15Å; I466-F470 HydrophobicContact CG2-CD2 3.55Å; I466-F470 HydrophobicContact CG2-CE2 3.56Å; I466-F470 VanDerWaalsContact O-CD2 3.32Å; I466-F470 WeakPolarHBondContact O-CD2 3.48Å; I466-F470 PolarHBondContact O-N 3.14Å; I467-F470 PolarHBondContact O-N 2.62Å; Q468-F470 PolarHBondContact O-N 3.09Å; F470-L473 PolarHBondContact O-N 3.4Å; F470-F474 AromaticContact CD1-CD2 3.81Å; F470-F474 HydrophobicContact CD1-CD2 3.81Å; F470-F474 AromaticContact CD1-CE2 3.64Å; F470-F474 HydrophobicContact CD1-CE2 3.64Å; F470-F474 HydrophobicContact CE1-CE2 4.04Å; F470-F474 WeakPolarHBondContact O-CB 3.27Å; F470-F474 PolarHBondContact O-N 2.82Å; F470-V498 HydrophobicContact CE2-CG2 4.04Å; F470-V498 HydrophobicContact CZ-CG2 4.25Å; F470-V504 HydrophobicContact CB-CG1 4.07Å; F470-F505 AromaticContact CD1-CE1 3.78Å; F470-F505 HydrophobicContact CD1-CE1 3.78Å; F470-F505 AromaticContact CD1-CZ 3.94Å; F470-F505 HydrophobicContact CD1-CZ 3.94Å; F470-F505 HydrophobicContact CE1-CE1 4.07Å; F470-F505 HydrophobicContact CE1-CZ 4.02Å; F470-F505 HydrophobicContact CG-CE1 4.4Å; F470-F505 HydrophobicContact CG-CZ 4.31Å; F470-F505 HydrophobicContact CZ-CZ 4.46Å
471	E	98.2	Very high	98.1	Very high	71 Å²	71	38.1 Å²	38.1	33%	0.332	22%	0.215	S	C	.	.	H	α-helix	trans	-62.5	-45.3	179.3	178.4	160.2	-149.3	0	0	111.6	I467 Q468 L473 C475 V504 R507	I467-E471 VanDerWaalsContact O-CB 3.23Å; I467-E471 WeakPolarHBondContact O-CB 3.5Å; I467-E471 PolarHBondContact O-N 2.99Å; Q468-E471 PolarHBondContact O-N 3.27Å; E471-L473 PolarHBondContact O-N 3.38Å; E471-C475 HydrophobicContact CG-CB 4.18Å; E471-C475 WeakPolarHBondContact O-CA 3.25Å; E471-C475 WeakPolarHBondContact O-CB 3.46Å; E471-C475 PolarHBondContact O-N 2.98Å; E471-V504 HydrophobicContact CB-CG1 4.11Å; E471-V504 HydrophobicContact CB-CG2 4.15Å; E471-R507 VanDerWaalsContact CD-NH2 3.29Å; E471-R507 IonicContact OE1-CZ 3.14Å; E471-R507 IonicContact OE1-NH1 2.68Å; E471-R507 PolarHBondContact OE1-NH1 3.43Å; E471-R507 IonicContact OE1-NH2 3.98Å; E471-R507 PolarHBondContact OE1-NH2 2.94Å; E471-R507 IonicContact OE2-NH2 2.87Å
472	E	98	Very high	98.1	Very high	51 Å²	51	36.8 Å²	36.8	24%	0.238	21%	0.206	C	C	.	.	H	α-helix	trans	-63.8	-24.8	178	-73.6	-176.8	-157.2	0	0	113.7	V410 K414 Q468 S476	V410-E472 HydrophobicContact CG1-CB 3.75Å; K414-E472 IonicContact NZ-OE2 2.74Å; K414-E472 PolarHBondContact NZ-OE2 2.82Å; Q468-E472 HydrophobicContact CG-CG 4.4Å; Q468-E472 WeakPolarHBondContact CG-OE1 3.4Å; Q468-E472 PolarHBondContact NE2-OE1 3.14Å; Q468-E472 WeakPolarHBondContact O-CB 3.34Å; Q468-E472 VanDerWaalsContact O-CG 3.31Å; Q468-E472 WeakPolarHBondContact O-CG 3.28Å; Q468-E472 PolarHBondContact O-N 2.85Å; E472-S476 VanDerWaalsContact O-CB 3.26Å; E472-S476 WeakPolarHBondContact O-CB 3.41Å
473	L	98.2	Very high	98	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-86.2	-59.3	173.9	-178.9	60.8	0	0	0	112.2	F406 V410 A413 L421 M443 A469 F470 E471 K481	F406-L473 HydrophobicContact CE2-CD2 4.13Å; F406-L473 HydrophobicContact CZ-CD2 4.25Å; V410-L473 HydrophobicContact CG1-CB 4.28Å; V410-L473 HydrophobicContact CG2-CB 3.89Å; A413-L473 HydrophobicContact CB-CD1 4.33Å; L421-L473 HydrophobicContact CD2-CD2 4.44Å; M443-L473 HydrophobicContact CE-CD1 3.76Å; M443-L473 HydrophobicContact CE-CD2 3.5Å; M443-L473 VanDerWaalsContact CE-CD2 3.5Å; M443-L473 HydrophobicContact CE-CG 4.28Å; M443-L473 HydrophobicContact SD-CD2 4Å; A469-L473 PolarHBondContact O-N 3.36Å; F470-L473 PolarHBondContact O-N 3.4Å; E471-L473 PolarHBondContact O-N 3.38Å; L473-K481 WeakPolarHBondContact O-CE 3.5Å; L473-K481 PolarHBondContact O-NZ 3.18Å
474	F	97.9	Very high	97.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-75.9	-38.4	-168.6	-80.6	-85.4	0	0	0	112.4	L421 F470 S476 K481 F486 L494 V504 F505 T508 R509	L421-F474 HydrophobicContact CD1-CE1 3.99Å; L421-F474 HydrophobicContact CD1-CZ 3.95Å; F470-F474 AromaticContact CD1-CD2 3.81Å; F470-F474 HydrophobicContact CD1-CD2 3.81Å; F470-F474 AromaticContact CD1-CE2 3.64Å; F470-F474 HydrophobicContact CD1-CE2 3.64Å; F470-F474 HydrophobicContact CE1-CE2 4.04Å; F470-F474 WeakPolarHBondContact O-CB 3.27Å; F470-F474 PolarHBondContact O-N 2.82Å; F474-S476 VanDerWaalsContact C-N 3.32Å; F474-K481 PolarHBondContact O-NZ 3.43Å; F474-F486 AromaticContact CE1-CE1 3.67Å; F474-F486 HydrophobicContact CE1-CE1 3.67Å; F474-F486 HydrophobicContact CE1-CZ 4.23Å; F474-F486 AromaticContact CZ-CE1 3.95Å; F474-F486 HydrophobicContact CZ-CE1 3.95Å; F474-F486 HydrophobicContact CZ-CZ 4.06Å; F474-L494 HydrophobicContact CZ-CD1 4.07Å; F474-V504 HydrophobicContact CB-CG1 4.24Å; F474-F505 HydrophobicContact CD1-CD1 4.41Å; F474-F505 HydrophobicContact CD2-CD1 4.34Å; F474-F505 HydrophobicContact CD2-CE1 4.07Å; F474-F505 HydrophobicContact CE2-CD1 4.46Å; F474-F505 AromaticContact CE2-CE1 3.96Å; F474-F505 HydrophobicContact CE2-CE1 3.96Å; F474-F505 HydrophobicContact CG-CD1 4.31Å; F474-F505 HydrophobicContact CZ-CE1 4.29Å; F474-T508 HydrophobicContact CD1-CG2 3.86Å; F474-T508 WeakPolarHBondContact O-CA 3.14Å; F474-R509 PolarHBondContact O-N 3.43Å
475	C	97.8	Very high	97.5	Very high	27 Å²	27	30.8 Å²	30.8	18%	0.182	16%	0.164	C	C	.	.	S	Bend	trans	-83.2	-8.6	179.1	-57.8	0	0	0	0	113	E471 V477	E471-C475 HydrophobicContact CG-CB 4.18Å; E471-C475 WeakPolarHBondContact O-CA 3.25Å; E471-C475 WeakPolarHBondContact O-CB 3.46Å; E471-C475 PolarHBondContact O-N 2.98Å; C475-V477 PolarHBondContact O-N 3.31Å
476	S	97.7	Very high	97.2	Very high	16 Å²	16	28 Å²	28	11%	0.112	15%	0.15	C	C	.	.			trans	-64.2	128.3	178.8	173.2	0	0	0	0	112.6	E472 F474 T478 V479 K481	E472-S476 VanDerWaalsContact O-CB 3.26Å; E472-S476 WeakPolarHBondContact O-CB 3.41Å; F474-S476 VanDerWaalsContact C-N 3.32Å; S476-T478 PolarHBondContact OG-N 3.44Å; S476-T478 VanDerWaalsContact OG-N 3.1Å; S476-T478 PolarHBondContact OG-OG1 2.88Å; S476-V479 PolarHBondContact OG-N 3.33Å; S476-K481 PolarHBondContact O-NZ 3.42Å
477	V	97.1	Very high	96.8	Very high	99 Å²	99	31.5 Å²	31.5	60%	0.6	17%	0.174	S	C	*	.	S	Bend	trans	-88.1	-4.8	170.8	-60.1	0	0	0	0	112.9	C475 R509 N510	C475-V477 PolarHBondContact O-N 3.31Å; V477-R509 HydrophobicContact CG1-CB 4.13Å; V477-R509 HydrophobicContact CG1-CG 4.14Å; V477-N510 PolarHBondContact O-ND2 3.01Å
478	T	96.8	Very high	96.3	Very high	67 Å²	67	34 Å²	34	41%	0.411	19%	0.188	S	C	.	.	S	Bend	trans	-96.8	-26.4	179.9	59.8	0	0	0	0	112.4	R417 S476	R417-T478 WeakPolarHBondContact CB-O 3.49Å; S476-T478 PolarHBondContact OG-N 3.44Å; S476-T478 VanDerWaalsContact OG-N 3.1Å; S476-T478 PolarHBondContact OG-OG1 2.88Å
479	V	98.4	Very high	95.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-90.8	119.3	175.2	-175.8	0	0	0	0	108.8	A413 K414 A419 S476 K481 N510	A413-V479 HydrophobicContact CB-CG1 4.09Å; A413-V479 HydrophobicContact CB-CG2 4.26Å; K414-V479 HydrophobicContact CB-CG2 4.38Å; K414-V479 HydrophobicContact CG-CG2 3.94Å; A419-V479 HydrophobicContact CB-CG1 4.07Å; S476-V479 PolarHBondContact OG-N 3.33Å; V479-K481 HydrophobicContact CB-CD 4.05Å; V479-K481 HydrophobicContact CG1-CD 3.75Å; V479-K481 HydrophobicContact CG1-CG 4.39Å; V479-K481 WeakPolarHBondContact O-CD 3.46Å; V479-N510 WeakPolarHBondContact O-CB 3.33Å
480	L	98.4	Very high	95.6	Very high	39 Å²	39	36.6 Å²	36.6	20%	0.204	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	121.1	162.9	178.8	61.7	0	0	0	108.5	R417 L418 A419 L482 V512 Y592	R417-L480 PolarHBondContact O-N 3.46Å; L418-L480 CarbonylContact C-O 3.58Å; L418-L480 WeakPolarHBondContact CA-O 3.49Å; L418-L480 HydrophobicContact CD1-CB 3.98Å; L418-L480 HydrophobicContact CD1-CD2 3.93Å; L418-L480 HydrophobicContact CD1-CG 3.98Å; A419-L480 PolarHBondContact N-O 2.86Å; L480-L482 HydrophobicContact CD2-CD2 4.19Å; L480-L482 HydrophobicContact CG-CD2 4.22Å; L480-V512 HydrophobicContact CD1-CB 4.15Å; L480-V512 HydrophobicContact CD1-CG2 3.62Å; L480-Y592 HydrophobicContact CD2-CE2 4.26Å
481	K	98.5	Very high	95.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	120.5	174.6	-75.5	81.9	70.4	167.9	0	108.7	A419 L421 L473 F474 S476 V479 R509 N510 L511 V512	A419-K481 CarbonylContact O-C 3.31Å; A419-K481 VanDerWaalsContact O-CA 3.27Å; A419-K481 WeakPolarHBondContact O-CA 3.27Å; L421-K481 HydrophobicContact CD1-CB 3.94Å; L421-K481 HydrophobicContact CD1-CG 3.58Å; L421-K481 HydrophobicContact CG-CB 4.47Å; L421-K481 HydrophobicContact CG-CG 4.29Å; L473-K481 WeakPolarHBondContact O-CE 3.5Å; L473-K481 PolarHBondContact O-NZ 3.18Å; F474-K481 PolarHBondContact O-NZ 3.43Å; S476-K481 PolarHBondContact O-NZ 3.42Å; V479-K481 HydrophobicContact CB-CD 4.05Å; V479-K481 HydrophobicContact CG1-CD 3.75Å; V479-K481 HydrophobicContact CG1-CG 4.39Å; V479-K481 WeakPolarHBondContact O-CD 3.46Å; K481-R509 WeakPolarHBondContact CE-O 3.42Å; K481-R509 PolarHBondContact NZ-O 2.92Å; K481-N510 PolarHBondContact N-O 3.01Å; K481-L511 HydrophobicContact CB-CD1 3.79Å; K481-L511 CarbonylContact O-C 3.59Å; K481-L511 WeakPolarHBondContact O-CA 3.48Å; K481-V512 PolarHBondContact O-N 2.85Å
482	L	98.3	Very high	95.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.9	171.7	-60	177.5	0	0	0	108.8	L418 A419 A420 L421 L480 V512 I514 L589 Y592	L418-L482 HydrophobicContact CD1-CD1 3.77Å; L418-L482 HydrophobicContact CD1-CG 3.81Å; A419-L482 PolarHBondContact O-N 3.47Å; A420-L482 CarbonylContact C-O 3.58Å; A420-L482 WeakPolarHBondContact CA-O 3.43Å; A420-L482 HydrophobicContact CB-CB 4.26Å; L421-L482 PolarHBondContact N-O 3.47Å; L480-L482 HydrophobicContact CD2-CD2 4.19Å; L480-L482 HydrophobicContact CG-CD2 4.22Å; L482-V512 WeakPolarHBondContact CA-O 3.34Å; L482-V512 HydrophobicContact CD2-CB 4.18Å; L482-V512 HydrophobicContact CD2-CG1 4.26Å; L482-I514 HydrophobicContact CD1-CD1 4.4Å; L482-I514 HydrophobicContact CD2-CD1 4.34Å; L482-L589 HydrophobicContact CD1-CD2 4.34Å; L482-Y592 HydrophobicContact CD1-CD1 4.23Å; L482-Y592 HydrophobicContact CD1-CD2 3.91Å; L482-Y592 HydrophobicContact CD1-CG 3.64Å; L482-Y592 HydrophobicContact CD2-CD2 3.96Å; L482-Y592 HydrophobicContact CD2-CE2 4.26Å
483	G	97.1	Very high	95.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	170.3	171.3	0	0	0	0	0	111.2	V512 C513 I514	G483-V512 PolarHBondContact N-O 2.98Å; G483-C513 CarbonylContact O-C 3.55Å; G483-C513 WeakPolarHBondContact O-CA 3.36Å; G483-I514 PolarHBondContact O-N 3.38Å
484	Y	94.6	Very high	95.1	Very high	34 Å²	34	37 Å²	37	13%	0.133	20%	0.202	C	C	.	.	S	Bend	trans	-109.6	101.7	171	-167.7	-82.5	0	0	0	109.4	F486 I514 R515 C545 G546 L547 L550	Y484-F486 PolarHBondContact O-N 3.21Å; Y484-F486 VanDerWaalsContact O-N 3.13Å; Y484-I514 HydrophobicContact CD2-CG2 3.78Å; Y484-R515 HydrophobicContact CE2-CB 3.92Å; Y484-R515 PolarHBondContact OH-NH1 2.86Å; Y484-R515 VanDerWaalsContact OH-NH1 3.14Å; Y484-C545 PolarHBondContact OH-O 2.87Å; Y484-G546 VanDerWaalsContact OH-C 3.32Å; Y484-G546 WeakPolarHBondContact OH-CA 3.45Å; Y484-G546 PolarHBondContact OH-N 2.94Å; Y484-L547 HydrophobicContact CD1-CB 4.33Å; Y484-L547 HydrophobicContact CD2-CB 3.89Å; Y484-L547 HydrophobicContact CD2-CD1 3.8Å; Y484-L547 HydrophobicContact CD2-CG 4.4Å; Y484-L547 HydrophobicContact CE2-CB 4.15Å; Y484-L547 HydrophobicContact CE2-CD1 4.43Å; Y484-L547 HydrophobicContact CG-CB 4Å; Y484-L547 HydrophobicContact CG-CD1 4.37Å; Y484-L550 HydrophobicContact CD2-CD2 4.27Å; Y484-L550 HydrophobicContact CE2-CB 4.45Å; Y484-L550 HydrophobicContact CE2-CD2 4.02Å
485	D	90.1	Very high	95	Very high	73 Å²	73	39.6 Å²	39.6	39%	0.39	22%	0.215	S	C	.	.	S	Bend	trans	55.2	25.9	-174.7	-156.1	41.9	0	0	0	115.2	S487 N488	D485-S487 VanDerWaalsContact C-N 3.27Å; D485-S487 PolarHBondContact O-N 3.4Å; D485-S487 VanDerWaalsContact O-N 3.13Å; D485-N488 PolarHBondContact O-N 2.8Å; D485-N488 VanDerWaalsContact O-N 3.13Å; D485-N488 PolarHBondContact OD1-ND2 2.89Å; D485-N488 PolarHBondContact OD2-ND2 3.4Å
486	F	92.5	Very high	94.9	Very high	3 Å²	3	40.8 Å²	40.8	1%	0.013	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-30.4	-169.3	-167.2	-83.4	0	0	0	114.6	L421 T423 L441 F474 Y484 N488 D490 V491 L494 L511	L421-F486 HydrophobicContact CB-CD2 4.06Å; L421-F486 HydrophobicContact CB-CE2 3.62Å; L421-F486 HydrophobicContact CB-CZ 4.04Å; L421-F486 HydrophobicContact CD1-CZ 4.4Å; T423-F486 HydrophobicContact CG2-CE2 4.08Å; T423-F486 HydrophobicContact CG2-CZ 4.16Å; L441-F486 HydrophobicContact CD1-CZ 4.39Å; F474-F486 AromaticContact CE1-CE1 3.67Å; F474-F486 HydrophobicContact CE1-CE1 3.67Å; F474-F486 HydrophobicContact CE1-CZ 4.23Å; F474-F486 AromaticContact CZ-CE1 3.95Å; F474-F486 HydrophobicContact CZ-CE1 3.95Å; F474-F486 HydrophobicContact CZ-CZ 4.06Å; Y484-F486 PolarHBondContact O-N 3.21Å; Y484-F486 VanDerWaalsContact O-N 3.13Å; F486-N488 PolarHBondContact O-N 2.72Å; F486-N488 VanDerWaalsContact O-N 3.13Å; F486-D490 WeakPolarHBondContact CA-OD2 3.3Å; F486-D490 HydrophobicContact CD1-CB 4.15Å; F486-D490 HydrophobicContact CD2-CB 3.61Å; F486-D490 HydrophobicContact CE1-CB 4.16Å; F486-D490 HydrophobicContact CE2-CB 3.66Å; F486-D490 HydrophobicContact CG-CB 3.87Å; F486-D490 HydrophobicContact CZ-CB 3.94Å; F486-D490 WeakPolarHBondContact O-CB 3.43Å; F486-V491 HydrophobicContact CD1-CG2 3.87Å; F486-V491 HydrophobicContact CE1-CG2 3.85Å; F486-V491 WeakPolarHBondContact O-CG2 3.28Å; F486-V491 PolarHBondContact O-N 3.47Å; F486-L494 HydrophobicContact CE1-CD1 4.16Å; F486-L494 HydrophobicContact CZ-CD1 3.84Å; F486-L511 HydrophobicContact CB-CD1 4.33Å; F486-L511 HydrophobicContact CB-CD2 4.39Å; F486-L511 HydrophobicContact CD1-CD1 4.32Å; F486-L511 HydrophobicContact CD1-CD2 4.06Å; F486-L511 HydrophobicContact CG-CD1 4.49Å
487	S	89.5	Confident	94.8	Very high	73 Å²	73	41 Å²	41	51%	0.51	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-15	-179.1	54.1	0	0	0	0	114	D485	D485-S487 VanDerWaalsContact C-N 3.27Å; D485-S487 PolarHBondContact O-N 3.4Å; D485-S487 VanDerWaalsContact O-N 3.13Å
488	N	87.3	Confident	94.8	Very high	88 Å²	88	36.3 Å²	36.3	47%	0.471	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-89.5	-176.6	-65.7	-23.4	0	0	0	111.1	D485 F486 K492	D485-N488 PolarHBondContact O-N 2.8Å; D485-N488 VanDerWaalsContact O-N 3.13Å; D485-N488 PolarHBondContact OD1-ND2 2.89Å; D485-N488 PolarHBondContact OD2-ND2 3.4Å; F486-N488 PolarHBondContact O-N 2.72Å; F486-N488 VanDerWaalsContact O-N 3.13Å; N488-K492 WeakPolarHBondContact O-CB 3.28Å; N488-K492 PolarHBondContact O-N 2.91Å
489	Q	88.8	Confident	94.7	Very high	116 Å²	116	37 Å²	37	54%	0.542	20%	0.203	S	C	.	.	H	α-helix	trans	-75.6	-40.7	-170.4	-65.7	-173.7	0.8	0	0	112.3	W425 K492 A493	W425-Q489 HydrophobicContact CH2-CB 3.98Å; Q489-K492 PolarHBondContact O-N 2.59Å; Q489-A493 WeakPolarHBondContact O-CB 3.44Å; Q489-A493 PolarHBondContact O-N 3.46Å
490	D	94.9	Very high	94.7	Very high	11 Å²	11	40.7 Å²	40.7	6%	0.059	22%	0.22	C	C	.	.	H	α-helix	trans	-64.8	-47.3	-177.2	-57.7	-88.2	0	0	0	112.6	T423 F486 K492 A493 L494	T423-D490 HydrophobicContact CG2-CB 4.08Å; T423-D490 PolarHBondContact N-OD1 3.5Å; T423-D490 VanDerWaalsContact N-OD1 3.09Å; T423-D490 WeakPolarHBondContact OG1-CA 3.39Å; T423-D490 WeakPolarHBondContact OG1-CB 3.22Å; T423-D490 PolarHBondContact OG1-OD1 3.5Å; F486-D490 WeakPolarHBondContact CA-OD2 3.3Å; F486-D490 HydrophobicContact CD1-CB 4.15Å; F486-D490 HydrophobicContact CD2-CB 3.61Å; F486-D490 HydrophobicContact CE1-CB 4.16Å; F486-D490 HydrophobicContact CE2-CB 3.66Å; F486-D490 HydrophobicContact CG-CB 3.87Å; F486-D490 HydrophobicContact CZ-CB 3.94Å; F486-D490 WeakPolarHBondContact O-CB 3.43Å; D490-K492 VanDerWaalsContact C-N 3.31Å; D490-K492 PolarHBondContact O-N 2.67Å; D490-A493 WeakPolarHBondContact O-CB 3.22Å; D490-A493 PolarHBondContact O-N 3.29Å; D490-A493 VanDerWaalsContact O-N 3.14Å; D490-L494 WeakPolarHBondContact O-CG 3.4Å; D490-L494 PolarHBondContact O-N 3.23Å
491	V	94.9	Very high	94.6	Very high	20 Å²	20	38.9 Å²	38.9	12%	0.121	21%	0.21	C	C	.	.	H	α-helix	trans	-61.3	-41.3	175.6	169.1	0	0	0	0	111.1	F486 A493 L494 I495 F505	F486-V491 HydrophobicContact CD1-CG2 3.87Å; F486-V491 HydrophobicContact CE1-CG2 3.85Å; F486-V491 WeakPolarHBondContact O-CG2 3.28Å; F486-V491 PolarHBondContact O-N 3.47Å; V491-A493 VanDerWaalsContact C-N 3.32Å; V491-A493 PolarHBondContact O-N 3.17Å; V491-L494 PolarHBondContact O-N 3.02Å; V491-I495 HydrophobicContact CG1-CD1 3.76Å; V491-I495 HydrophobicContact CG1-CG1 4.35Å; V491-I495 WeakPolarHBondContact O-CB 3.43Å; V491-I495 VanDerWaalsContact O-CG1 3.28Å; V491-I495 WeakPolarHBondContact O-CG1 3.47Å; V491-I495 PolarHBondContact O-N 3.24Å; V491-F505 HydrophobicContact CG1-CB 3.95Å
492	K	94	Very high	94.5	Very high	112 Å²	112	41.9 Å²	41.9	49%	0.487	23%	0.228	S	C	.	.	H	α-helix	trans	-62.5	-40.7	175.1	-173.1	-174	176.7	-166.9	0	111.5	N488 Q489 D490 I495 S496	N488-K492 WeakPolarHBondContact O-CB 3.28Å; N488-K492 PolarHBondContact O-N 2.91Å; Q489-K492 PolarHBondContact O-N 2.59Å; D490-K492 VanDerWaalsContact C-N 3.31Å; D490-K492 PolarHBondContact O-N 2.67Å; K492-I495 PolarHBondContact O-N 3.22Å; K492-S496 WeakPolarHBondContact O-CB 3.43Å; K492-S496 PolarHBondContact O-N 3.26Å; K492-S496 PolarHBondContact O-OG 2.71Å
493	A	95.4	Very high	94.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-39.5	177.6	0	0	0	0	0	112.3	W425 T436 A438 Q489 D490 V491 S496 A497	W425-A493 HydrophobicContact CD2-CB 4.5Å; W425-A493 HydrophobicContact CE3-CB 3.79Å; W425-A493 HydrophobicContact CZ3-CB 4.15Å; T436-A493 VanDerWaalsContact O-CA 3.32Å; T436-A493 WeakPolarHBondContact O-CA 3.25Å; A438-A493 HydrophobicContact CB-CB 3.94Å; A438-A493 PolarHBondContact N-O 2.97Å; Q489-A493 WeakPolarHBondContact O-CB 3.44Å; Q489-A493 PolarHBondContact O-N 3.46Å; D490-A493 WeakPolarHBondContact O-CB 3.22Å; D490-A493 PolarHBondContact O-N 3.29Å; D490-A493 VanDerWaalsContact O-N 3.14Å; V491-A493 VanDerWaalsContact C-N 3.32Å; V491-A493 PolarHBondContact O-N 3.17Å; A493-S496 PolarHBondContact O-N 3.39Å; A493-A497 PolarHBondContact O-N 2.97Å; A493-A497 VanDerWaalsContact O-N 3.09Å
494	L	96.9	Very high	94.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.8	-46	173.7	-71.8	169.9	0	0	0	112.1	T423 A438 L441 I454 F474 F486 D490 V491 S496 A497 V498 F505	T423-L494 HydrophobicContact CG2-CD1 3.95Å; T423-L494 HydrophobicContact CG2-CD2 3.94Å; T423-L494 HydrophobicContact CG2-CG 3.83Å; A438-L494 HydrophobicContact CB-CD2 4.04Å; A438-L494 HydrophobicContact CB-CG 4.45Å; L441-L494 HydrophobicContact CB-CD2 4.43Å; I454-L494 HydrophobicContact CD1-CD2 3.78Å; F474-L494 HydrophobicContact CZ-CD1 4.07Å; F486-L494 HydrophobicContact CE1-CD1 4.16Å; F486-L494 HydrophobicContact CZ-CD1 3.84Å; D490-L494 WeakPolarHBondContact O-CG 3.4Å; D490-L494 PolarHBondContact O-N 3.23Å; V491-L494 PolarHBondContact O-N 3.02Å; L494-S496 PolarHBondContact O-N 3.18Å; L494-A497 PolarHBondContact O-N 3.45Å; L494-V498 WeakPolarHBondContact O-CG2 3.28Å; L494-V498 PolarHBondContact O-N 3.34Å; L494-F505 HydrophobicContact CB-CE1 4.11Å; L494-F505 HydrophobicContact CB-CE2 4.03Å; L494-F505 HydrophobicContact CB-CZ 3.72Å; L494-F505 HydrophobicContact CD1-CE1 4.03Å; L494-F505 HydrophobicContact CD1-CZ 4.41Å
495	I	96.3	Very high	94.6	Very high	53 Å²	53	44.1 Å²	44.1	27%	0.272	25%	0.248	S	C	.	.	H	α-helix	trans	-56.4	-41.7	174.8	-72.7	166	0	0	0	110.4	V491 K492 A497 V498 P499 T502 F505	V491-I495 HydrophobicContact CG1-CD1 3.76Å; V491-I495 HydrophobicContact CG1-CG1 4.35Å; V491-I495 WeakPolarHBondContact O-CB 3.43Å; V491-I495 VanDerWaalsContact O-CG1 3.28Å; V491-I495 WeakPolarHBondContact O-CG1 3.47Å; V491-I495 PolarHBondContact O-N 3.24Å; K492-I495 PolarHBondContact O-N 3.22Å; I495-A497 VanDerWaalsContact C-N 3.31Å; I495-A497 PolarHBondContact O-N 2.96Å; I495-V498 CarbonylContact O-C 3.2Å; I495-P499 WeakPolarHBondContact O-CA 3.46Å; I495-P499 VanDerWaalsContact O-N 3.13Å; I495-T502 HydrophobicContact CG2-CG2 4.46Å; I495-F505 HydrophobicContact CD1-CB 4.38Å; I495-F505 HydrophobicContact CG1-CB 4.25Å; I495-F505 HydrophobicContact CG1-CD2 3.53Å; I495-F505 HydrophobicContact CG1-CE2 4.25Å; I495-F505 HydrophobicContact CG1-CG 4.22Å
496	S	94.6	Very high	94.8	Very high	52 Å²	52	45.2 Å²	45.2	36%	0.364	26%	0.262	S	S	.	.	H	α-helix	trans	-67.2	-32.8	178.7	-54.2	0	0	0	0	112.6	T436 K492 A493 L494	T436-S496 WeakPolarHBondContact O-CB 3.33Å; T436-S496 PolarHBondContact O-OG 2.95Å; K492-S496 WeakPolarHBondContact O-CB 3.43Å; K492-S496 PolarHBondContact O-N 3.26Å; K492-S496 PolarHBondContact O-OG 2.71Å; A493-S496 PolarHBondContact O-N 3.39Å; L494-S496 PolarHBondContact O-N 3.18Å
497	A	95.9	Very high	95	Very high	22 Å²	22	49.6 Å²	49.6	18%	0.182	28%	0.278	C	S	.	.	H	α-helix	trans	-81.7	-37.5	-179.8	0	0	0	0	0	113.4	I437 A438 I454 A493 L494 I495	I437-A497 HydrophobicContact CG2-CB 3.88Å; A438-A497 HydrophobicContact CB-CB 4.18Å; A438-A497 WeakPolarHBondContact O-CB 3.26Å; I454-A497 HydrophobicContact CD1-CB 4.48Å; I454-A497 HydrophobicContact CG2-CB 3.96Å; A493-A497 PolarHBondContact O-N 2.97Å; A493-A497 VanDerWaalsContact O-N 3.09Å; L494-A497 PolarHBondContact O-N 3.45Å; I495-A497 VanDerWaalsContact C-N 3.31Å; I495-A497 PolarHBondContact O-N 2.96Å
498	V	97	Very high	95.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.263	C	S	.	.			trans	-130.3	69.4	-179.5	-73.5	0	0	0	0	110.6	I454 V458 F470 L494 I495 F500 C501 F505	I454-V498 HydrophobicContact CG2-CG1 4.11Å; V458-V498 HydrophobicContact CG2-CG1 3.75Å; F470-V498 HydrophobicContact CE2-CG2 4.04Å; F470-V498 HydrophobicContact CZ-CG2 4.25Å; L494-V498 WeakPolarHBondContact O-CG2 3.28Å; L494-V498 PolarHBondContact O-N 3.34Å; I495-V498 CarbonylContact O-C 3.2Å; V498-F500 HydrophobicContact CB-CE1 4.28Å; V498-F500 HydrophobicContact CB-CE2 4.28Å; V498-F500 HydrophobicContact CB-CZ 3.99Å; V498-F500 HydrophobicContact CG1-CE1 4.28Å; V498-F500 HydrophobicContact CG1-CE2 4.45Å; V498-F500 HydrophobicContact CG1-CZ 3.83Å; V498-F500 PolarHBondContact O-N 2.75Å; V498-F500 VanDerWaalsContact O-N 3.1Å; V498-C501 HydrophobicContact CB-CB 4.38Å; V498-C501 HydrophobicContact CG2-CB 4.08Å; V498-C501 WeakPolarHBondContact O-CB 3.34Å; V498-C501 PolarHBondContact O-N 2.9Å; V498-F505 HydrophobicContact CG2-CE2 3.9Å; V498-F505 HydrophobicContact CG2-CZ 3.89Å
499	P	96.4	Very high	95.8	Very high	80 Å²	80	50.3 Å²	50.3	52%	0.519	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-61.4	-26.1	-172.3	22.3	-33.7	0	0	0	113.7	I495 C501 T502	I495-P499 WeakPolarHBondContact O-CA 3.46Å; I495-P499 VanDerWaalsContact O-N 3.13Å; P499-C501 PolarHBondContact O-N 3.07Å; P499-T502 WeakPolarHBondContact O-CB 3.44Å; P499-T502 PolarHBondContact O-N 2.75Å; P499-T502 VanDerWaalsContact O-N 3.14Å; P499-T502 PolarHBondContact O-OG1 2.98Å
500	F	97.1	Very high	96.2	Very high	79 Å²	79	48.3 Å²	48.3	35%	0.346	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-66.8	-10.3	173.2	55.4	-98.7	0	0	0	113.7	V458 A463 I466 I467 V498	V458-F500 HydrophobicContact CG2-CZ 4.5Å; A463-F500 HydrophobicContact CB-CD2 4.14Å; A463-F500 HydrophobicContact CB-CE2 4.12Å; A463-F500 HydrophobicContact CB-CG 4.45Å; A463-F500 HydrophobicContact CB-CZ 4.45Å; I466-F500 HydrophobicContact CB-CE2 4.09Å; I466-F500 HydrophobicContact CD1-CZ 4.25Å; I466-F500 HydrophobicContact CG2-CE2 3.8Å; I466-F500 HydrophobicContact CG2-CZ 4.18Å; I467-F500 HydrophobicContact CD1-CD2 3.99Å; I467-F500 HydrophobicContact CG1-CD2 3.76Å; I467-F500 HydrophobicContact CG1-CE2 4.3Å; V498-F500 HydrophobicContact CB-CE1 4.28Å; V498-F500 HydrophobicContact CB-CE2 4.28Å; V498-F500 HydrophobicContact CB-CZ 3.99Å; V498-F500 HydrophobicContact CG1-CE1 4.28Å; V498-F500 HydrophobicContact CG1-CE2 4.45Å; V498-F500 HydrophobicContact CG1-CZ 3.83Å; V498-F500 PolarHBondContact O-N 2.75Å; V498-F500 VanDerWaalsContact O-N 3.1Å
501	C	97.2	Very high	96.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-97.4	6.8	173.2	-66.1	0	0	0	0	113.8	V498 P499 S503 V504 F505	V498-C501 HydrophobicContact CB-CB 4.38Å; V498-C501 HydrophobicContact CG2-CB 4.08Å; V498-C501 WeakPolarHBondContact O-CB 3.34Å; V498-C501 PolarHBondContact O-N 2.9Å; P499-C501 PolarHBondContact O-N 3.07Å; C501-S503 VanDerWaalsContact C-N 3.28Å; C501-S503 PolarHBondContact O-N 3.15Å; C501-V504 WeakPolarHBondContact O-CA 3.33Å; C501-V504 VanDerWaalsContact O-CB 3.27Å; C501-V504 WeakPolarHBondContact O-CB 3.31Å; C501-V504 PolarHBondContact O-N 2.97Å; C501-F505 HydrophobicContact CB-CD2 4.17Å; C501-F505 HydrophobicContact CB-CE2 3.51Å; C501-F505 HydrophobicContact CB-CZ 3.94Å; C501-F505 VanDerWaalsContact O-CD2 3.23Å; C501-F505 WeakPolarHBondContact O-CD2 3.18Å; C501-F505 PolarHBondContact O-N 3.3Å
502	T	96.6	Very high	96.3	Very high	63 Å²	63	51.3 Å²	51.3	39%	0.387	28%	0.276	S	S	.	.	H	α-helix	trans	-53.1	-42.1	-175.9	-60.4	0	0	0	0	113.3	I495 P499 V504 F505 S506	I495-T502 HydrophobicContact CG2-CG2 4.46Å; P499-T502 WeakPolarHBondContact O-CB 3.44Å; P499-T502 PolarHBondContact O-N 2.75Å; P499-T502 VanDerWaalsContact O-N 3.14Å; P499-T502 PolarHBondContact O-OG1 2.98Å; T502-V504 PolarHBondContact O-N 2.79Å; T502-F505 PolarHBondContact O-N 3.07Å; T502-S506 PolarHBondContact O-N 3.09Å
503	S	96.6	Very high	96.4	Very high	73 Å²	73	47.3 Å²	47.3	51%	0.51	26%	0.262	S	S	.	.	H	α-helix	trans	-69.3	-18.4	178.5	63.2	0	0	0	0	114	C501 S506 R507	C501-S503 VanDerWaalsContact C-N 3.28Å; C501-S503 PolarHBondContact O-N 3.15Å; S503-S506 PolarHBondContact O-OG 3.17Å; S503-R507 WeakPolarHBondContact O-CG 3.45Å; S503-R507 PolarHBondContact O-NE 3.1Å
504	V	97.5	Very high	96.4	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-76.4	-49.7	173.3	176.2	0	0	0	0	109.4	I467 F470 E471 F474 C501 T502 S506 R507	I467-V504 HydrophobicContact CG2-CG2 4.08Å; F470-V504 HydrophobicContact CB-CG1 4.07Å; E471-V504 HydrophobicContact CB-CG1 4.11Å; E471-V504 HydrophobicContact CB-CG2 4.15Å; F474-V504 HydrophobicContact CB-CG1 4.24Å; C501-V504 WeakPolarHBondContact O-CA 3.33Å; C501-V504 VanDerWaalsContact O-CB 3.27Å; C501-V504 WeakPolarHBondContact O-CB 3.31Å; C501-V504 PolarHBondContact O-N 2.97Å; T502-V504 PolarHBondContact O-N 2.79Å; V504-S506 VanDerWaalsContact C-N 3.31Å; V504-S506 PolarHBondContact O-N 3.45Å; V504-R507 PolarHBondContact O-N 3.12Å
505	F	96.3	Very high	96.2	Very high	8 Å²	8	48.6 Å²	48.6	4%	0.035	27%	0.267	C	S	.	.	H	α-helix	trans	-64.9	-33	-176.1	-59.1	-57.8	0	0	0	113.1	F470 F474 V491 L494 I495 V498 C501 T502 R507 T508	F470-F505 AromaticContact CD1-CE1 3.78Å; F470-F505 HydrophobicContact CD1-CE1 3.78Å; F470-F505 AromaticContact CD1-CZ 3.94Å; F470-F505 HydrophobicContact CD1-CZ 3.94Å; F470-F505 HydrophobicContact CE1-CE1 4.07Å; F470-F505 HydrophobicContact CE1-CZ 4.02Å; F470-F505 HydrophobicContact CG-CE1 4.4Å; F470-F505 HydrophobicContact CG-CZ 4.31Å; F470-F505 HydrophobicContact CZ-CZ 4.46Å; F474-F505 HydrophobicContact CD1-CD1 4.41Å; F474-F505 HydrophobicContact CD2-CD1 4.34Å; F474-F505 HydrophobicContact CD2-CE1 4.07Å; F474-F505 HydrophobicContact CE2-CD1 4.46Å; F474-F505 AromaticContact CE2-CE1 3.96Å; F474-F505 HydrophobicContact CE2-CE1 3.96Å; F474-F505 HydrophobicContact CG-CD1 4.31Å; F474-F505 HydrophobicContact CZ-CE1 4.29Å; V491-F505 HydrophobicContact CG1-CB 3.95Å; L494-F505 HydrophobicContact CB-CE1 4.11Å; L494-F505 HydrophobicContact CB-CE2 4.03Å; L494-F505 HydrophobicContact CB-CZ 3.72Å; L494-F505 HydrophobicContact CD1-CE1 4.03Å; L494-F505 HydrophobicContact CD1-CZ 4.41Å; I495-F505 HydrophobicContact CD1-CB 4.38Å; I495-F505 HydrophobicContact CG1-CB 4.25Å; I495-F505 HydrophobicContact CG1-CD2 3.53Å; I495-F505 HydrophobicContact CG1-CE2 4.25Å; I495-F505 HydrophobicContact CG1-CG 4.22Å; V498-F505 HydrophobicContact CG2-CE2 3.9Å; V498-F505 HydrophobicContact CG2-CZ 3.89Å; C501-F505 HydrophobicContact CB-CD2 4.17Å; C501-F505 HydrophobicContact CB-CE2 3.51Å; C501-F505 HydrophobicContact CB-CZ 3.94Å; C501-F505 VanDerWaalsContact O-CD2 3.23Å; C501-F505 WeakPolarHBondContact O-CD2 3.18Å; C501-F505 PolarHBondContact O-N 3.3Å; T502-F505 PolarHBondContact O-N 3.07Å; F505-R507 PolarHBondContact O-N 3.26Å; F505-T508 WeakPolarHBondContact O-CB 3.37Å; F505-T508 PolarHBondContact O-N 3.33Å; F505-T508 PolarHBondContact O-OG1 3.17Å
506	S	94.8	Very high	96.1	Very high	96 Å²	96	51 Å²	51	67%	0.671	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-19.6	173.7	66.2	0	0	0	0	113.8	T502 S503 V504	T502-S506 PolarHBondContact O-N 3.09Å; S503-S506 PolarHBondContact O-OG 3.17Å; V504-S506 VanDerWaalsContact C-N 3.31Å; V504-S506 PolarHBondContact O-N 3.45Å
507	R	96.6	Very high	96.1	Very high	95 Å²	95	50.8 Å²	50.8	36%	0.358	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	14.2	178.4	-65	-176.9	-63.2	132.8	-1.8	113.1	E471 S503 V504 F505 R509	E471-R507 VanDerWaalsContact CD-NH2 3.29Å; E471-R507 IonicContact OE1-CZ 3.14Å; E471-R507 IonicContact OE1-NH1 2.68Å; E471-R507 PolarHBondContact OE1-NH1 3.43Å; E471-R507 IonicContact OE1-NH2 3.98Å; E471-R507 PolarHBondContact OE1-NH2 2.94Å; E471-R507 IonicContact OE2-NH2 2.87Å; S503-R507 WeakPolarHBondContact O-CG 3.45Å; S503-R507 PolarHBondContact O-NE 3.1Å; V504-R507 PolarHBondContact O-N 3.12Å; F505-R507 PolarHBondContact O-N 3.26Å; R507-R509 WeakPolarHBondContact O-CG 3.42Å; R507-R509 PolarHBondContact O-N 3.27Å
508	T	96.4	Very high	96	Very high	32 Å²	32	49.7 Å²	49.7	20%	0.196	27%	0.265	C	S	.	.			trans	-53	127.7	178.5	-61.9	0	0	0	0	111.1	F474 F505 L511	F474-T508 HydrophobicContact CD1-CG2 3.86Å; F474-T508 WeakPolarHBondContact O-CA 3.14Å; F505-T508 WeakPolarHBondContact O-CB 3.37Å; F505-T508 PolarHBondContact O-N 3.33Å; F505-T508 PolarHBondContact O-OG1 3.17Å; T508-L511 HydrophobicContact CG2-CB 3.85Å; T508-L511 HydrophobicContact CG2-CD2 4.17Å
509	R	97	Very high	95.8	Very high	143 Å²	143	51.2 Å²	51.2	54%	0.54	27%	0.273	S	S	.	.			trans	-114.3	158.1	176.9	-60.7	-53.8	-172.2	-161.1	1.9	110.6	F474 V477 K481 R507 L511	F474-R509 PolarHBondContact O-N 3.43Å; V477-R509 HydrophobicContact CG1-CB 4.13Å; V477-R509 HydrophobicContact CG1-CG 4.14Å; K481-R509 WeakPolarHBondContact CE-O 3.42Å; K481-R509 PolarHBondContact NZ-O 2.92Å; R507-R509 WeakPolarHBondContact O-CG 3.42Å; R507-R509 PolarHBondContact O-N 3.27Å; R509-L511 PolarHBondContact O-N 3.37Å; R509-L511 VanDerWaalsContact O-N 3.11Å
510	N	96.9	Very high	95.7	Very high	74 Å²	74	51 Å²	51	40%	0.396	27%	0.273	S	S	.	.	S	Bend	trans	47.9	40.3	173.7	-69.2	5.8	0	0	0	115.2	V477 V479 K481	V477-N510 PolarHBondContact O-ND2 3.01Å; V479-N510 WeakPolarHBondContact O-CB 3.33Å; K481-N510 PolarHBondContact N-O 3.01Å
511	L	97.3	Very high	95.6	Very high	49 Å²	49	47.9 Å²	47.9	26%	0.257	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	123.2	171	179	64.2	0	0	0	109	K481 F486 T508 R509	K481-L511 HydrophobicContact CB-CD1 3.79Å; K481-L511 CarbonylContact O-C 3.59Å; K481-L511 WeakPolarHBondContact O-CA 3.48Å; F486-L511 HydrophobicContact CB-CD1 4.33Å; F486-L511 HydrophobicContact CB-CD2 4.39Å; F486-L511 HydrophobicContact CD1-CD1 4.32Å; F486-L511 HydrophobicContact CD1-CD2 4.06Å; F486-L511 HydrophobicContact CG-CD1 4.49Å; T508-L511 HydrophobicContact CG2-CB 3.85Å; T508-L511 HydrophobicContact CG2-CD2 4.17Å; R509-L511 PolarHBondContact O-N 3.37Å; R509-L511 VanDerWaalsContact O-N 3.11Å
512	V	96.5	Very high	95.4	Very high	45 Å²	45	47.9 Å²	47.9	27%	0.273	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	126	178.8	168.9	0	0	0	0	109.5	L480 K481 L482 G483 I514 H517	L480-V512 HydrophobicContact CD1-CB 4.15Å; L480-V512 HydrophobicContact CD1-CG2 3.62Å; K481-V512 PolarHBondContact O-N 2.85Å; L482-V512 WeakPolarHBondContact CA-O 3.34Å; L482-V512 HydrophobicContact CD2-CB 4.18Å; L482-V512 HydrophobicContact CD2-CG1 4.26Å; G483-V512 PolarHBondContact N-O 2.98Å; V512-I514 PolarHBondContact O-N 3.1Å; V512-H517 HydrophobicContact CG1-CB 3.84Å
513	C	95.6	Very high	95.2	Very high	29 Å²	29	48.5 Å²	48.5	20%	0.196	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	117.6	168.1	179.6	0	0	0	0	109.5	G483 R515 N516 H517	G483-C513 CarbonylContact O-C 3.55Å; G483-C513 WeakPolarHBondContact O-CA 3.36Å; C513-R515 PolarHBondContact O-N 2.85Å; C513-N516 HydrophobicContact CB-CB 4.32Å; C513-N516 PolarHBondContact O-N 2.95Å; C513-N516 VanDerWaalsContact O-N 3.1Å; C513-H517 PolarHBondContact O-N 3.28Å
514	I	95.8	Very high	95.1	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.6	-30	-174.9	-165.2	63	0	0	0	112.4	L482 G483 Y484 V512 H517 A518 L550 L588 I591 Y592	L482-I514 HydrophobicContact CD1-CD1 4.4Å; L482-I514 HydrophobicContact CD2-CD1 4.34Å; G483-I514 PolarHBondContact O-N 3.38Å; Y484-I514 HydrophobicContact CD2-CG2 3.78Å; V512-I514 PolarHBondContact O-N 3.1Å; I514-H517 PolarHBondContact O-N 2.9Å; I514-A518 WeakPolarHBondContact O-CB 3.47Å; I514-A518 PolarHBondContact O-N 2.95Å; I514-L550 HydrophobicContact CG1-CD2 4.42Å; I514-L550 HydrophobicContact CG2-CD2 3.66Å; I514-L588 HydrophobicContact CB-CD2 4.49Å; I514-L588 HydrophobicContact CG2-CD2 3.72Å; I514-I591 HydrophobicContact CD1-CG2 4.06Å; I514-I591 HydrophobicContact CG1-CB 4.23Å; I514-I591 HydrophobicContact CG1-CG2 3.6Å; I514-Y592 HydrophobicContact CD1-CD2 4.05Å; I514-Y592 HydrophobicContact CD1-CG 4.48Å
515	R	92.9	Very high	94.9	Very high	26 Å²	26	51.2 Å²	51.2	10%	0.098	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-49.3	175.3	-178.3	-168.6	-179.2	80.9	0.3	111.1	Y484 C513 H517 A518 L519 L537 C545	Y484-R515 HydrophobicContact CE2-CB 3.92Å; Y484-R515 PolarHBondContact OH-NH1 2.86Å; Y484-R515 VanDerWaalsContact OH-NH1 3.14Å; C513-R515 PolarHBondContact O-N 2.85Å; R515-H517 VanDerWaalsContact C-N 3.3Å; R515-H517 PolarHBondContact O-N 3.32Å; R515-A518 WeakPolarHBondContact O-CB 3.42Å; R515-A518 PolarHBondContact O-N 2.77Å; R515-L519 HydrophobicContact CG-CD1 4.45Å; R515-L519 WeakPolarHBondContact O-CG 3.44Å; R515-L519 PolarHBondContact O-N 2.67Å; R515-L537 PolarHBondContact NH2-O 3.45Å; R515-C545 PolarHBondContact NH2-SG 2.87Å
516	N	92.8	Very high	94.7	Very high	103 Å²	103	53.6 Å²	53.6	55%	0.551	29%	0.29	S	S	*	.	H	α-helix	trans	-66.2	-38.6	-179.2	-65.1	-11	0	0	0	110.5	C513 L519 S520	C513-N516 HydrophobicContact CB-CB 4.32Å; C513-N516 PolarHBondContact O-N 2.95Å; C513-N516 VanDerWaalsContact O-N 3.1Å; N516-L519 PolarHBondContact O-N 3.14Å; N516-S520 WeakPolarHBondContact O-CB 3.43Å; N516-S520 PolarHBondContact O-N 3.16Å
517	H	94.8	Very high	94.4	Very high	48 Å²	48	50.9 Å²	50.9	22%	0.222	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-45.7	173.2	-173.9	65.5	0	0	0	112	V512 C513 I514 R515 L519 S520 V521 Y592	V512-H517 HydrophobicContact CG1-CB 3.84Å; C513-H517 PolarHBondContact O-N 3.28Å; I514-H517 PolarHBondContact O-N 2.9Å; R515-H517 VanDerWaalsContact C-N 3.3Å; R515-H517 PolarHBondContact O-N 3.32Å; H517-L519 PolarHBondContact O-N 3.19Å; H517-S520 PolarHBondContact O-N 2.94Å; H517-V521 WeakPolarHBondContact O-CG2 3.23Å; H517-V521 PolarHBondContact O-N 2.8Å; H517-Y592 AromaticContact CD2-CD2 3.75Å; H517-Y592 AromaticContact CD2-CE2 3.89Å; H517-Y592 AromaticContact NE2-CD2 3.75Å; H517-Y592 AromaticContact NE2-CE2 3.5Å; H517-Y592 WeakPolarHBondContact NE2-CE2 3.27Å
518	A	94.2	Very high	93.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-58	-48.8	175.9	0	0	0	0	0	112	I514 R515 S520 V521 I522 L550 L595	I514-A518 WeakPolarHBondContact O-CB 3.47Å; I514-A518 PolarHBondContact O-N 2.95Å; R515-A518 WeakPolarHBondContact O-CB 3.42Å; R515-A518 PolarHBondContact O-N 2.77Å; A518-S520 VanDerWaalsContact C-N 3.31Å; A518-S520 PolarHBondContact O-N 3.27Å; A518-V521 PolarHBondContact O-N 2.89Å; A518-I522 HydrophobicContact CB-CD1 4.46Å; A518-I522 VanDerWaalsContact O-CB 3.32Å; A518-I522 WeakPolarHBondContact O-CB 3.48Å; A518-I522 WeakPolarHBondContact O-CD1 3.44Å; A518-I522 WeakPolarHBondContact O-CG1 3.41Å; A518-I522 PolarHBondContact O-N 3.18Å; A518-L550 HydrophobicContact CB-CD1 3.81Å; A518-L595 HydrophobicContact CB-CD1 3.65Å; A518-L595 HydrophobicContact CB-CD2 4.17Å
519	L	92.8	Very high	93.4	Very high	31 Å²	31	61.9 Å²	61.9	16%	0.162	33%	0.332	C	S	.	.	H	α-helix	trans	-58.9	-43.1	176.9	-72.5	172.5	0	0	0	111.7	R515 N516 H517 N523 L537 Y538	R515-L519 HydrophobicContact CG-CD1 4.45Å; R515-L519 WeakPolarHBondContact O-CG 3.44Å; R515-L519 PolarHBondContact O-N 2.67Å; N516-L519 PolarHBondContact O-N 3.14Å; H517-L519 PolarHBondContact O-N 3.19Å; L519-N523 VanDerWaalsContact O-CB 3.28Å; L519-N523 WeakPolarHBondContact O-CB 3.47Å; L519-N523 PolarHBondContact O-N 2.99Å; L519-N523 PolarHBondContact O-ND2 3.34Å; L519-L537 HydrophobicContact CD2-CB 3.73Å; L519-Y538 HydrophobicContact CD2-CD1 4.11Å; L519-Y538 HydrophobicContact CD2-CE1 3.88Å; L519-Y538 HydrophobicContact CD2-CE2 4.32Å; L519-Y538 HydrophobicContact CD2-CG 4.45Å
520	S	93.7	Very high	92.9	Very high	75 Å²	75	56.8 Å²	56.8	52%	0.524	32%	0.318	S	S	.	.	H	α-helix	trans	-62	-48.7	177.7	178.4	0	0	0	0	112	N516 H517 A518 N523 S524	N516-S520 WeakPolarHBondContact O-CB 3.43Å; N516-S520 PolarHBondContact O-N 3.16Å; H517-S520 PolarHBondContact O-N 2.94Å; A518-S520 VanDerWaalsContact C-N 3.31Å; A518-S520 PolarHBondContact O-N 3.27Å; S520-N523 PolarHBondContact O-N 3.33Å; S520-S524 WeakPolarHBondContact O-CB 2.87Å; S520-S524 PolarHBondContact O-N 3.2Å
521	V	94.7	Very high	92.6	Very high	14 Å²	14	55.4 Å²	55.4	9%	0.085	31%	0.313	C	S	.	.	H	α-helix	trans	-63.1	-47.9	178.5	170	0	0	0	0	111.1	H517 A518 N523 S524 V525 L595 A599	H517-V521 WeakPolarHBondContact O-CG2 3.23Å; H517-V521 PolarHBondContact O-N 2.8Å; A518-V521 PolarHBondContact O-N 2.89Å; V521-N523 VanDerWaalsContact C-N 3.34Å; V521-N523 PolarHBondContact O-N 3.27Å; V521-S524 PolarHBondContact O-N 2.9Å; V521-V525 HydrophobicContact CG1-CG2 4.15Å; V521-V525 WeakPolarHBondContact O-CB 3.4Å; V521-V525 VanDerWaalsContact O-CG2 3.27Å; V521-V525 WeakPolarHBondContact O-CG2 3.37Å; V521-V525 PolarHBondContact O-N 2.81Å; V521-L595 HydrophobicContact CB-CD2 4.37Å; V521-L595 HydrophobicContact CG1-CB 4.25Å; V521-L595 HydrophobicContact CG1-CD2 4.21Å; V521-A599 HydrophobicContact CG1-CB 4.01Å
522	I	92.8	Very high	92.2	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60.2	-45.3	-180	-69.9	163.1	0	0	0	110.6	A518 S524 V525 F526 C530 F534 L537 L595	A518-I522 HydrophobicContact CB-CD1 4.46Å; A518-I522 VanDerWaalsContact O-CB 3.32Å; A518-I522 WeakPolarHBondContact O-CB 3.48Å; A518-I522 WeakPolarHBondContact O-CD1 3.44Å; A518-I522 WeakPolarHBondContact O-CG1 3.41Å; A518-I522 PolarHBondContact O-N 3.18Å; I522-S524 PolarHBondContact O-N 2.71Å; I522-V525 PolarHBondContact O-N 3.23Å; I522-F526 HydrophobicContact CG2-CD2 4Å; I522-F526 WeakPolarHBondContact O-CD2 3.47Å; I522-F526 PolarHBondContact O-N 3.26Å; I522-C530 WeakPolarHBondContact CG2-SG 3.47Å; I522-F534 HydrophobicContact CD1-CB 4.48Å; I522-F534 HydrophobicContact CD1-CD1 3.39Å; I522-F534 HydrophobicContact CD1-CE1 3.67Å; I522-F534 HydrophobicContact CD1-CG 3.97Å; I522-F534 HydrophobicContact CD1-CZ 4.4Å; I522-F534 HydrophobicContact CG1-CD1 4.14Å; I522-F534 HydrophobicContact CG1-CE1 4.15Å; I522-F534 HydrophobicContact CG1-CG 4.44Å; I522-F534 HydrophobicContact CG1-CZ 4.4Å; I522-F534 HydrophobicContact CG2-CB 4.13Å; I522-F534 HydrophobicContact CG2-CD1 4.5Å; I522-F534 HydrophobicContact CG2-CD2 4.06Å; I522-F534 HydrophobicContact CG2-CG 4Å; I522-L537 HydrophobicContact CD1-CD1 3.61Å; I522-L595 HydrophobicContact CG1-CD2 4.45Å
523	N	92.7	Very high	91.8	Very high	76 Å²	76	65.9 Å²	65.9	41%	0.406	35%	0.353	S	S	.	.	H	α-helix	trans	-62.2	-41.9	176.2	-74.1	-20.7	0	0	0	112	L519 S520 V521 G527 Y538	L519-N523 VanDerWaalsContact O-CB 3.28Å; L519-N523 WeakPolarHBondContact O-CB 3.47Å; L519-N523 PolarHBondContact O-N 2.99Å; L519-N523 PolarHBondContact O-ND2 3.34Å; S520-N523 PolarHBondContact O-N 3.33Å; V521-N523 VanDerWaalsContact C-N 3.34Å; V521-N523 PolarHBondContact O-N 3.27Å; N523-G527 WeakPolarHBondContact O-CA 3.46Å; N523-G527 PolarHBondContact O-N 3.19Å; N523-Y538 PolarHBondContact OD1-OH 2.81Å
524	S	94.1	Very high	91.5	Very high	105 Å²	105	64.9 Å²	64.9	73%	0.734	35%	0.345	S	S	*	.	H	α-helix	trans	-66.4	-40.1	179.4	-171.6	0	0	0	0	112.4	S520 V521 I522	S520-S524 WeakPolarHBondContact O-CB 2.87Å; S520-S524 PolarHBondContact O-N 3.2Å; V521-S524 PolarHBondContact O-N 2.9Å; I522-S524 PolarHBondContact O-N 2.71Å
525	V	93.9	Very high	91	Very high	26 Å²	26	68.6 Å²	68.6	16%	0.158	37%	0.371	C	S	.	.	H	α-helix	trans	-77.4	-43.1	-175.2	167.2	0	0	0	0	111.5	V521 I522 L598 A599 T602	V521-V525 HydrophobicContact CG1-CG2 4.15Å; V521-V525 WeakPolarHBondContact O-CB 3.4Å; V521-V525 VanDerWaalsContact O-CG2 3.27Å; V521-V525 WeakPolarHBondContact O-CG2 3.37Å; V521-V525 PolarHBondContact O-N 2.81Å; I522-V525 PolarHBondContact O-N 3.23Å; V525-L598 HydrophobicContact CG1-CD1 4.21Å; V525-L598 HydrophobicContact CG1-CG 4.12Å; V525-L598 HydrophobicContact CG2-CG 4.4Å; V525-A599 HydrophobicContact CG2-CB 4.4Å; V525-T602 HydrophobicContact CG1-CG2 3.77Å
526	F	92	Very high	90.7	Very high	58 Å²	58	68.5 Å²	68.5	25%	0.254	37%	0.374	S	S	.	.	H	α-helix	trans	-108.7	-23.4	-171.6	-58.4	-69.9	0	0	0	114.6	I522 F528 N529 C530 P531 F534 L598	I522-F526 HydrophobicContact CG2-CD2 4Å; I522-F526 WeakPolarHBondContact O-CD2 3.47Å; I522-F526 PolarHBondContact O-N 3.26Å; F526-F528 PolarHBondContact O-N 2.92Å; F526-N529 WeakPolarHBondContact O-CA 3.49Å; F526-N529 WeakPolarHBondContact O-CB 3.39Å; F526-N529 PolarHBondContact O-N 3.34Å; F526-C530 HydrophobicContact CB-CB 4.29Å; F526-P531 HydrophobicContact CD1-CG 4.08Å; F526-P531 HydrophobicContact CD2-CG 4.44Å; F526-P531 HydrophobicContact CE1-CG 3.92Å; F526-P531 HydrophobicContact CE2-CG 4.27Å; F526-P531 VanDerWaalsContact CG-CD 3.49Å; F526-P531 HydrophobicContact CG-CG 4.34Å; F526-P531 HydrophobicContact CZ-CG 4.01Å; F526-F534 HydrophobicContact CD2-CE2 4.26Å; F526-F534 HydrophobicContact CE2-CD2 4.23Å; F526-F534 AromaticContact CE2-CE2 3.55Å; F526-F534 HydrophobicContact CE2-CE2 3.55Å; F526-F534 HydrophobicContact CE2-CZ 4.25Å; F526-F534 HydrophobicContact CZ-CE2 4.11Å; F526-L598 HydrophobicContact CE2-CD1 4.38Å; F526-L598 HydrophobicContact CE2-CD2 3.88Å; F526-L598 HydrophobicContact CZ-CD1 3.89Å; F526-L598 HydrophobicContact CZ-CD2 4.22Å
527	G	88.4	Confident	90.4	Very high	39 Å²	39	63.7 Å²	63.7	40%	0.402	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	49.7	-127.2	-174.5	0	0	0	0	0	112.5	N523 N529 C530	N523-G527 WeakPolarHBondContact O-CA 3.46Å; N523-G527 PolarHBondContact O-N 3.19Å; G527-N529 PolarHBondContact O-N 3.32Å; G527-C530 PolarHBondContact O-N 3Å
528	F	84.8	Confident	89.8	Confident	216 Å²	216	66.1 Å²	66.1	95%	0.947	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-67.1	-17.4	177.4	-65.8	-73.7	0	0	0	114.2	F526 C530	F526-F528 PolarHBondContact O-N 2.92Å; F528-C530 VanDerWaalsContact C-N 3.28Å; F528-C530 PolarHBondContact O-N 3.1Å
529	N	88.3	Confident	88.9	Confident	142 Å²	142	68.8 Å²	68.8	76%	0.759	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-93.8	28.4	179.8	-66.1	-33.7	0	0	0	112.5	F526 G527 P531	F526-N529 WeakPolarHBondContact O-CA 3.49Å; F526-N529 WeakPolarHBondContact O-CB 3.39Å; F526-N529 PolarHBondContact O-N 3.34Å; G527-N529 PolarHBondContact O-N 3.32Å; N529-P531 WeakPolarHBondContact O-CD 3.22Å
530	C	85.7	Confident	87.6	Confident	37 Å²	37	74 Å²	74	25%	0.25	40%	0.399	C	S	.	.			trans	-58.9	122.5	-178.5	-170.9	0	0	0	0	111.9	I522 F526 G527 F528 K532	I522-C530 WeakPolarHBondContact CG2-SG 3.47Å; F526-C530 HydrophobicContact CB-CB 4.29Å; G527-C530 PolarHBondContact O-N 3Å; F528-C530 VanDerWaalsContact C-N 3.28Å; F528-C530 PolarHBondContact O-N 3.1Å; C530-K532 PolarHBondContact O-N 3.11Å
531	P	89.9	Confident	86	Confident	45 Å²	45	76.4 Å²	76.4	29%	0.292	40%	0.402	S	S	.	.			trans	-55.5	137.5	178.2	-28.6	34.1	0	0	0	112.8	F526 N529 K533 F534	F526-P531 HydrophobicContact CD1-CG 4.08Å; F526-P531 HydrophobicContact CD2-CG 4.44Å; F526-P531 HydrophobicContact CE1-CG 3.92Å; F526-P531 HydrophobicContact CE2-CG 4.27Å; F526-P531 VanDerWaalsContact CG-CD 3.49Å; F526-P531 HydrophobicContact CG-CG 4.34Å; F526-P531 HydrophobicContact CZ-CG 4.01Å; N529-P531 WeakPolarHBondContact O-CD 3.22Å; P531-K533 HydrophobicContact CB-CG 4.22Å; P531-K533 PolarHBondContact O-N 2.78Å; P531-F534 HydrophobicContact CB-CD2 3.81Å; P531-F534 HydrophobicContact CB-CE2 4.06Å; P531-F534 HydrophobicContact CG-CD2 3.96Å; P531-F534 HydrophobicContact CG-CE2 3.92Å; P531-F534 PolarHBondContact O-N 2.92Å
532	K	88.9	Confident	83.8	Confident	191 Å²	191	86.2 Å²	86.2	83%	0.83	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-52.3	-30.6	-177.5	-70.3	-174.3	179.2	179.8	0	113.9	C530 F534 S535	C530-K532 PolarHBondContact O-N 3.11Å; K532-F534 PolarHBondContact O-N 3.26Å; K532-S535 VanDerWaalsContact O-CB 3.31Å; K532-S535 WeakPolarHBondContact O-CB 3.35Å; K532-S535 PolarHBondContact O-N 3.12Å; K532-S535 PolarHBondContact O-OG 3.01Å
533	K	88.8	Confident	81.8	Confident	122 Å²	122	89.4 Å²	89.4	53%	0.53	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-59.2	-27.3	177.2	68.6	171.9	-173.7	165.3	0	113.6	P531 V553	P531-K533 HydrophobicContact CB-CG 4.22Å; P531-K533 PolarHBondContact O-N 2.78Å; K533-V553 WeakPolarHBondContact O-CG1 3.32Å; K533-V553 WeakPolarHBondContact O-CG2 3.44Å
534	F	89.3	Confident	80.1	Confident	9 Å²	9	88 Å²	88	4%	0.039	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-84.5	-9.7	178.7	-61.9	-63.7	0	0	0	113.3	I522 F526 P531 K532 S536 L537 Y538 V553	I522-F534 HydrophobicContact CD1-CB 4.48Å; I522-F534 HydrophobicContact CD1-CD1 3.39Å; I522-F534 HydrophobicContact CD1-CE1 3.67Å; I522-F534 HydrophobicContact CD1-CG 3.97Å; I522-F534 HydrophobicContact CD1-CZ 4.4Å; I522-F534 HydrophobicContact CG1-CD1 4.14Å; I522-F534 HydrophobicContact CG1-CE1 4.15Å; I522-F534 HydrophobicContact CG1-CG 4.44Å; I522-F534 HydrophobicContact CG1-CZ 4.4Å; I522-F534 HydrophobicContact CG2-CB 4.13Å; I522-F534 HydrophobicContact CG2-CD1 4.5Å; I522-F534 HydrophobicContact CG2-CD2 4.06Å; I522-F534 HydrophobicContact CG2-CG 4Å; F526-F534 HydrophobicContact CD2-CE2 4.26Å; F526-F534 HydrophobicContact CE2-CD2 4.23Å; F526-F534 AromaticContact CE2-CE2 3.55Å; F526-F534 HydrophobicContact CE2-CE2 3.55Å; F526-F534 HydrophobicContact CE2-CZ 4.25Å; F526-F534 HydrophobicContact CZ-CE2 4.11Å; P531-F534 HydrophobicContact CB-CD2 3.81Å; P531-F534 HydrophobicContact CB-CE2 4.06Å; P531-F534 HydrophobicContact CG-CD2 3.96Å; P531-F534 HydrophobicContact CG-CE2 3.92Å; P531-F534 PolarHBondContact O-N 2.92Å; K532-F534 PolarHBondContact O-N 3.26Å; F534-S536 PolarHBondContact O-N 3.12Å; F534-S536 VanDerWaalsContact O-N 3.14Å; F534-L537 HydrophobicContact CD1-CD1 4.02Å; F534-L537 WeakPolarHBondContact O-CB 3.23Å; F534-L537 PolarHBondContact O-N 3.34Å; F534-Y538 WeakPolarHBondContact O-CD2 3.5Å; F534-V553 HydrophobicContact CB-CG1 4.46Å; F534-V553 HydrophobicContact CD1-CG1 3.15Å; F534-V553 HydrophobicContact CE1-CG1 3.62Å; F534-V553 HydrophobicContact CG-CG1 4.1Å
535	S	86.3	Confident	78.8	Confident	78 Å²	78	85.2 Å²	85.2	55%	0.545	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-60.3	-30.1	-175.5	71	0	0	0	0	112.7	K532 L537 Y538	K532-S535 VanDerWaalsContact O-CB 3.31Å; K532-S535 WeakPolarHBondContact O-CB 3.35Å; K532-S535 PolarHBondContact O-N 3.12Å; K532-S535 PolarHBondContact O-OG 3.01Å; S535-L537 PolarHBondContact O-N 3.34Å; S535-Y538 PolarHBondContact O-N 2.95Å
536	S	86.3	Confident	78.5	Confident	24 Å²	24	85.2 Å²	85.2	17%	0.168	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	-63.7	-25.4	177	70.2	0	0	0	0	112.8	F534 Y538 N539 N549 V553	F534-S536 PolarHBondContact O-N 3.12Å; F534-S536 VanDerWaalsContact O-N 3.14Å; S536-Y538 VanDerWaalsContact C-N 3.26Å; S536-Y538 PolarHBondContact O-N 3.11Å; S536-N539 PolarHBondContact O-N 3.3Å; S536-N549 PolarHBondContact OG-ND2 2.7Å; S536-N549 VanDerWaalsContact OG-ND2 3.14Å; S536-N549 PolarHBondContact OG-OD1 2.92Å; S536-V553 WeakPolarHBondContact OG-CG2 3.18Å
537	L	85.2	Confident	78.5	Confident	2 Å²	2	83.1 Å²	83.1	1%	0.01	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-69.9	-22.5	179.9	-59.6	179.6	0	0	0	113.1	R515 L519 I522 F534 S535 L550 V553	R515-L537 PolarHBondContact NH2-O 3.45Å; L519-L537 HydrophobicContact CD2-CB 3.73Å; I522-L537 HydrophobicContact CD1-CD1 3.61Å; F534-L537 HydrophobicContact CD1-CD1 4.02Å; F534-L537 WeakPolarHBondContact O-CB 3.23Å; F534-L537 PolarHBondContact O-N 3.34Å; S535-L537 PolarHBondContact O-N 3.34Å; L537-L550 HydrophobicContact CD1-CD1 4.2Å; L537-L550 HydrophobicContact CD2-CD1 3.87Å; L537-V553 HydrophobicContact CD1-CG1 3.89Å; L537-V553 HydrophobicContact CD2-CB 4.37Å; L537-V553 HydrophobicContact CD2-CG1 4.45Å; L537-V553 HydrophobicContact CD2-CG2 4.41Å; L537-V553 HydrophobicContact CG-CG1 4.09Å
538	Y	82.6	Confident	78.6	Confident	98 Å²	98	85.7 Å²	85.7	38%	0.384	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-89.5	-12.1	178	-57.4	-92	0	0	0	112.8	L519 N523 F534 S535 S536 N540	L519-Y538 HydrophobicContact CD2-CD1 4.11Å; L519-Y538 HydrophobicContact CD2-CE1 3.88Å; L519-Y538 HydrophobicContact CD2-CE2 4.32Å; L519-Y538 HydrophobicContact CD2-CG 4.45Å; N523-Y538 PolarHBondContact OD1-OH 2.81Å; F534-Y538 WeakPolarHBondContact O-CD2 3.5Å; S535-Y538 PolarHBondContact O-N 2.95Å; S536-Y538 VanDerWaalsContact C-N 3.26Å; S536-Y538 PolarHBondContact O-N 3.11Å; Y538-N540 PolarHBondContact O-N 2.99Å
539	N	75.3	Confident	79	Confident	56 Å²	56	76.7 Å²	76.7	30%	0.299	41%	0.407	S	S	.	.			trans	-86.1	115.3	-177.8	-169.9	-2.3	0	0	0	109.9	S536 Q541 N544 C545	S536-N539 PolarHBondContact O-N 3.3Å; N539-Q541 PolarHBondContact ND2-OE1 2.96Å; N539-Q541 PolarHBondContact O-N 3.2Å; N539-Q541 WeakPolarHBondContact OD1-CB 3.43Å; N539-Q541 WeakPolarHBondContact OD1-CG 3.36Å; N539-Q541 PolarHBondContact OD1-N 2.87Å; N539-Q541 VanDerWaalsContact OD1-N 3.1Å; N539-N544 HydrophobicContact CB-CB 4.39Å; N539-N544 PolarHBondContact ND2-ND2 3.27Å; N539-N544 WeakPolarHBondContact O-CB 3.48Å; N539-C545 PolarHBondContact O-SG 2.79Å
540	N	66.3	Low	79.2	Confident	140 Å²	140	70 Å²	70	75%	0.749	37%	0.371	S	S	*	.			trans	-77.9	6.7	177.4	-76.5	-15.6	0	0	0	114.1	Y538	Y538-N540 PolarHBondContact O-N 2.99Å
541	Q	59	Low	79.6	Confident	126 Å²	126	68.2 Å²	68.2	59%	0.589	36%	0.36	S	S	*	.	S	Bend	trans	-62.6	140	174.5	-75.9	173.9	-4.1	0	0	112.1	N539 G543 N544	N539-Q541 PolarHBondContact ND2-OE1 2.96Å; N539-Q541 PolarHBondContact O-N 3.2Å; N539-Q541 WeakPolarHBondContact OD1-CB 3.43Å; N539-Q541 WeakPolarHBondContact OD1-CG 3.36Å; N539-Q541 PolarHBondContact OD1-N 2.87Å; N539-Q541 VanDerWaalsContact OD1-N 3.1Å; Q541-G543 PolarHBondContact O-N 3.4Å; Q541-G543 VanDerWaalsContact O-N 3.14Å; Q541-N544 PolarHBondContact O-N 2.93Å; Q541-N544 VanDerWaalsContact O-N 3.1Å
542	K	49.7	Very low	79.8	Confident	221 Å²	221	69.9 Å²	69.9	96%	0.961	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	119.5	174.9	-90.2	-178.5	172.8	178.3	0	110
543	G	51.2	Low	80	Confident	67 Å²	67	61.3 Å²	61.3	69%	0.691	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	113	-30	-179.6	0	0	0	0	0	114.8	Q541	Q541-G543 PolarHBondContact O-N 3.4Å; Q541-G543 VanDerWaalsContact O-N 3.14Å
544	N	57	Low	80.3	Confident	47 Å²	47	56 Å²	56	25%	0.251	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-8.3	179.2	-70.1	-26.6	0	0	0	113.2	N539 Q541 N549	N539-N544 HydrophobicContact CB-CB 4.39Å; N539-N544 PolarHBondContact ND2-ND2 3.27Å; N539-N544 WeakPolarHBondContact O-CB 3.48Å; Q541-N544 PolarHBondContact O-N 2.93Å; Q541-N544 VanDerWaalsContact O-N 3.1Å; N544-N549 PolarHBondContact O-ND2 2.93Å
545	C	66.8	Low	80.5	Confident	45 Å²	45	57.1 Å²	57.1	30%	0.304	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	22.7	-174.9	-59.2	0	0	0	0	115.4	Y484 R515 N539	Y484-C545 PolarHBondContact OH-O 2.87Å; R515-C545 PolarHBondContact NH2-SG 2.87Å; N539-C545 PolarHBondContact O-SG 2.79Å
546	G	86.5	Confident	80.9	Confident	27 Å²	27	59.4 Å²	59.4	28%	0.278	32%	0.316	S	S	.	.	S	Bend	trans	-109	157.8	-177.4	0	0	0	0	0	114.4	Y484 K548 N549 L550	Y484-G546 VanDerWaalsContact OH-C 3.32Å; Y484-G546 WeakPolarHBondContact OH-CA 3.45Å; Y484-G546 PolarHBondContact OH-N 2.94Å; G546-K548 PolarHBondContact O-N 2.91Å; G546-N549 PolarHBondContact O-N 3.15Å; G546-L550 PolarHBondContact O-N 2.96Å; G546-L550 VanDerWaalsContact O-N 3.15Å
547	L	91.8	Very high	81.2	Confident	14 Å²	14	60.3 Å²	60.3	7%	0.073	32%	0.32	C	S	.	.	H	α-helix	trans	-54.2	-34.2	174.6	179.6	58.2	0	0	0	112.9	Y484 N549 L550 C551 L559 L588 I591	Y484-L547 HydrophobicContact CD1-CB 4.33Å; Y484-L547 HydrophobicContact CD2-CB 3.89Å; Y484-L547 HydrophobicContact CD2-CD1 3.8Å; Y484-L547 HydrophobicContact CD2-CG 4.4Å; Y484-L547 HydrophobicContact CE2-CB 4.15Å; Y484-L547 HydrophobicContact CE2-CD1 4.43Å; Y484-L547 HydrophobicContact CG-CB 4Å; Y484-L547 HydrophobicContact CG-CD1 4.37Å; L547-N549 PolarHBondContact O-N 2.81Å; L547-L550 PolarHBondContact O-N 2.89Å; L547-C551 PolarHBondContact O-N 3.24Å; L547-C551 PolarHBondContact O-SG 2.83Å; L547-L559 HydrophobicContact CD2-CD1 4.15Å; L547-L559 HydrophobicContact CG-CD1 3.78Å; L547-L588 HydrophobicContact CD1-CD2 3.49Å; L547-L588 VanDerWaalsContact CD1-CD2 3.49Å; L547-L588 HydrophobicContact CD2-CD2 4.11Å; L547-L588 HydrophobicContact CG-CD2 4.46Å; L547-I591 HydrophobicContact CD1-CD1 4.02Å
548	K	91.8	Very high	81.6	Confident	92 Å²	92	62.3 Å²	62.3	40%	0.4	33%	0.331	S	S	.	.	H	α-helix	trans	-58.3	-47.1	173.7	-177.9	178.6	-179.7	-178.8	0	112.1	G546 L550 C551 K552 D558 L559 K561	G546-K548 PolarHBondContact O-N 2.91Å; K548-L550 VanDerWaalsContact C-N 3.32Å; K548-L550 PolarHBondContact O-N 2.83Å; K548-C551 PolarHBondContact O-N 3.24Å; K548-K552 PolarHBondContact O-N 2.92Å; K548-D558 WeakPolarHBondContact CE-OD1 3.49Å; K548-L559 HydrophobicContact CB-CB 4.31Å; K548-L559 HydrophobicContact CG-CB 4.22Å; K548-K561 HydrophobicContact CD-CG 4.2Å
549	N	91.9	Very high	82	Confident	28 Å²	28	57.7 Å²	57.7	15%	0.15	31%	0.313	C	S	.	.	H	α-helix	trans	-65.6	-38.6	177.7	-175.6	46.1	0	0	0	110.8	S536 N544 G546 L547 K552 V553	S536-N549 PolarHBondContact OG-ND2 2.7Å; S536-N549 VanDerWaalsContact OG-ND2 3.14Å; S536-N549 PolarHBondContact OG-OD1 2.92Å; N544-N549 PolarHBondContact O-ND2 2.93Å; G546-N549 PolarHBondContact O-N 3.15Å; L547-N549 PolarHBondContact O-N 2.81Å; N549-K552 PolarHBondContact O-N 2.71Å; N549-V553 WeakPolarHBondContact O-CB 3.34Å; N549-V553 VanDerWaalsContact O-CG2 3.31Å; N549-V553 WeakPolarHBondContact O-CG2 3.24Å; N549-V553 PolarHBondContact O-N 3.1Å
550	L	93.2	Very high	82.8	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-63	-44.2	177.3	-172.5	63.1	0	0	0	111.9	Y484 I514 A518 L537 G546 L547 K548 V553 V554 I591	Y484-L550 HydrophobicContact CD2-CD2 4.27Å; Y484-L550 HydrophobicContact CE2-CB 4.45Å; Y484-L550 HydrophobicContact CE2-CD2 4.02Å; I514-L550 HydrophobicContact CG1-CD2 4.42Å; I514-L550 HydrophobicContact CG2-CD2 3.66Å; A518-L550 HydrophobicContact CB-CD1 3.81Å; L537-L550 HydrophobicContact CD1-CD1 4.2Å; L537-L550 HydrophobicContact CD2-CD1 3.87Å; G546-L550 PolarHBondContact O-N 2.96Å; G546-L550 VanDerWaalsContact O-N 3.15Å; L547-L550 PolarHBondContact O-N 2.89Å; K548-L550 VanDerWaalsContact C-N 3.32Å; K548-L550 PolarHBondContact O-N 2.83Å; L550-V553 PolarHBondContact O-N 3.38Å; L550-V554 HydrophobicContact CD1-CG2 3.76Å; L550-V554 HydrophobicContact CG-CG2 4.37Å; L550-V554 WeakPolarHBondContact O-CB 3.4Å; L550-V554 WeakPolarHBondContact O-CG2 3.37Å; L550-V554 PolarHBondContact O-N 3.13Å; L550-I591 HydrophobicContact CD2-CD1 3.99Å; L550-I591 HydrophobicContact CD2-CG2 4.32Å; L550-I591 HydrophobicContact CG-CD1 3.97Å; L550-I591 HydrophobicContact CG-CG2 4.45Å
551	C	94.9	Very high	83.8	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.1	-46.5	172.5	-72.4	0	0	0	0	111.4	L547 K548 V553 L555 D556 V557 L559	L547-C551 PolarHBondContact O-N 3.24Å; L547-C551 PolarHBondContact O-SG 2.83Å; K548-C551 PolarHBondContact O-N 3.24Å; C551-V553 VanDerWaalsContact C-N 3.32Å; C551-V553 PolarHBondContact O-N 2.74Å; C551-L555 CarbonylContact O-C 3.6Å; C551-L555 VanDerWaalsContact O-CA 3.31Å; C551-L555 WeakPolarHBondContact O-CA 3.49Å; C551-L555 VanDerWaalsContact O-CB 3.25Å; C551-L555 WeakPolarHBondContact O-CB 3.27Å; C551-L555 PolarHBondContact O-N 3.27Å; C551-D556 PolarHBondContact O-N 2.73Å; C551-V557 CarbonylContact C-O 3.59Å; C551-V557 VanDerWaalsContact C-O 3.31Å; C551-L559 HydrophobicContact CB-CD1 4.23Å; C551-L559 HydrophobicContact CB-CG 3.89Å; C551-L559 WeakPolarHBondContact SG-CD1 3.19Å
552	K	93.4	Very high	85.3	Confident	79 Å²	79	49.5 Å²	49.5	34%	0.343	27%	0.266	S	S	.	.	H	α-helix	trans	-59.6	-43.9	179.7	-172.7	60.8	171.8	-168.2	0	112.2	K548 N549 D556 V557 D558	K548-K552 PolarHBondContact O-N 2.92Å; N549-K552 PolarHBondContact O-N 2.71Å; K552-D556 WeakPolarHBondContact O-CA 3.38Å; K552-D556 PolarHBondContact O-N 3.21Å; K552-D556 VanDerWaalsContact O-N 3.1Å; K552-V557 VanDerWaalsContact CA-O 3.29Å; K552-V557 WeakPolarHBondContact CA-O 3.43Å; K552-V557 PolarHBondContact N-O 2.93Å; K552-D558 IonicContact NZ-OD2 3.28Å; K552-D558 PolarHBondContact NZ-OD2 2.75Å
553	V	92.7	Very high	87.2	Confident	12 Å²	12	39.5 Å²	39.5	7%	0.073	22%	0.223	C	C	.	.	H	α-helix	trans	-77.3	-39.1	-174.6	170.5	0	0	0	0	112.6	K533 F534 S536 L537 N549 L550 C551	K533-V553 WeakPolarHBondContact O-CG1 3.32Å; K533-V553 WeakPolarHBondContact O-CG2 3.44Å; F534-V553 HydrophobicContact CB-CG1 4.46Å; F534-V553 HydrophobicContact CD1-CG1 3.15Å; F534-V553 HydrophobicContact CE1-CG1 3.62Å; F534-V553 HydrophobicContact CG-CG1 4.1Å; S536-V553 WeakPolarHBondContact OG-CG2 3.18Å; L537-V553 HydrophobicContact CD1-CG1 3.89Å; L537-V553 HydrophobicContact CD2-CB 4.37Å; L537-V553 HydrophobicContact CD2-CG1 4.45Å; L537-V553 HydrophobicContact CD2-CG2 4.41Å; L537-V553 HydrophobicContact CG-CG1 4.09Å; N549-V553 WeakPolarHBondContact O-CB 3.34Å; N549-V553 VanDerWaalsContact O-CG2 3.31Å; N549-V553 WeakPolarHBondContact O-CG2 3.24Å; N549-V553 PolarHBondContact O-N 3.1Å; L550-V553 PolarHBondContact O-N 3.38Å; C551-V553 VanDerWaalsContact C-N 3.32Å; C551-V553 PolarHBondContact O-N 2.74Å
554	V	94.2	Very high	89.1	Confident	10 Å²	10	40.9 Å²	40.9	6%	0.061	21%	0.207	C	C	.	.	H	α-helix	trans	-89.2	-41.7	-175.3	179.5	0	0	0	0	112	L550 I591 K594 L595	L550-V554 HydrophobicContact CD1-CG2 3.76Å; L550-V554 HydrophobicContact CG-CG2 4.37Å; L550-V554 WeakPolarHBondContact O-CB 3.4Å; L550-V554 WeakPolarHBondContact O-CG2 3.37Å; L550-V554 PolarHBondContact O-N 3.13Å; V554-I591 HydrophobicContact CG1-CG2 4.19Å; V554-K594 HydrophobicContact CG1-CB 4.04Å; V554-K594 HydrophobicContact CG1-CG 3.92Å; V554-L595 HydrophobicContact CG1-CD2 4.25Å; V554-L595 HydrophobicContact CG1-CG 4.23Å; V554-L595 HydrophobicContact CG2-CD2 4.48Å
555	L	94.6	Very high	90.7	Very high	33 Å²	33	39.9 Å²	39.9	17%	0.173	20%	0.202	C	C	.	.	H	α-helix	trans	-103.7	-9.5	-174.8	-54.9	-179.4	0	0	0	113.9	C551 V557 M590 I591 K594	C551-L555 CarbonylContact O-C 3.6Å; C551-L555 VanDerWaalsContact O-CA 3.31Å; C551-L555 WeakPolarHBondContact O-CA 3.49Å; C551-L555 VanDerWaalsContact O-CB 3.25Å; C551-L555 WeakPolarHBondContact O-CB 3.27Å; C551-L555 PolarHBondContact O-N 3.27Å; L555-V557 HydrophobicContact CB-CG2 3.68Å; L555-V557 HydrophobicContact CD1-CG2 4.43Å; L555-V557 PolarHBondContact O-N 2.67Å; L555-M590 HydrophobicContact CD1-CB 3.85Å; L555-M590 HydrophobicContact CD1-CE 4.28Å; L555-M590 HydrophobicContact CD2-CB 4.21Å; L555-I591 HydrophobicContact CD1-CG1 3.85Å; L555-I591 HydrophobicContact CD2-CG1 4.37Å; L555-I591 HydrophobicContact CG-CG1 3.94Å; L555-K594 HydrophobicContact CD2-CB 3.95Å; L555-K594 HydrophobicContact CD2-CG 4.24Å
556	D	93.8	Very high	92	Very high	126 Å²	126	37.8 Å²	37.8	67%	0.674	19%	0.187	S	C	*	.	S	Bend	trans	62.8	22.6	-176.8	-153.7	28.6	0	0	0	114.9	C551 K552	C551-D556 PolarHBondContact O-N 2.73Å; K552-D556 WeakPolarHBondContact O-CA 3.38Å; K552-D556 PolarHBondContact O-N 3.21Å; K552-D556 VanDerWaalsContact O-N 3.1Å
557	V	93.4	Very high	92.2	Very high	43 Å²	43	37.3 Å²	37.3	26%	0.261	18%	0.178	S	C	.	.			trans	-128.8	146.5	179.7	-66.1	0	0	0	0	111.4	L389 C551 K552 L555	L389-V557 HydrophobicContact CB-CB 4.45Å; L389-V557 HydrophobicContact CB-CG2 4.12Å; L389-V557 HydrophobicContact CD1-CG2 4.23Å; L389-V557 HydrophobicContact CD2-CG2 4.45Å; L389-V557 HydrophobicContact CG-CG2 4.49Å; C551-V557 CarbonylContact C-O 3.59Å; C551-V557 VanDerWaalsContact C-O 3.31Å; K552-V557 VanDerWaalsContact CA-O 3.29Å; K552-V557 WeakPolarHBondContact CA-O 3.43Å; K552-V557 PolarHBondContact N-O 2.93Å; L555-V557 HydrophobicContact CB-CG2 3.68Å; L555-V557 HydrophobicContact CD1-CG2 4.43Å; L555-V557 PolarHBondContact O-N 2.67Å
558	D	92.8	Very high	92.3	Very high	43 Å²	43	36.6 Å²	36.6	23%	0.23	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-84.7	145.9	175.5	-80	-72.2	0	0	0	111.3	C388 L389 K548 K552	C388-D558 CarbonylContact C-O 3.51Å; C388-D558 VanDerWaalsContact CA-O 3.3Å; C388-D558 WeakPolarHBondContact CA-O 3.32Å; L389-D558 PolarHBondContact N-O 3.1Å; K548-D558 WeakPolarHBondContact CE-OD1 3.49Å; K552-D558 IonicContact NZ-OD2 3.28Å; K552-D558 PolarHBondContact NZ-OD2 2.75Å
559	L	92.2	Very high	92.3	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-90.9	136.3	166.5	-71.4	-179.2	0	0	0	110.5	L389 L547 K548 C551 K561 C587	L389-L559 HydrophobicContact CB-CD2 4.2Å; L389-L559 HydrophobicContact CD2-CD2 3.91Å; L547-L559 HydrophobicContact CD2-CD1 4.15Å; L547-L559 HydrophobicContact CG-CD1 3.78Å; K548-L559 HydrophobicContact CB-CB 4.31Å; K548-L559 HydrophobicContact CG-CB 4.22Å; C551-L559 HydrophobicContact CB-CD1 4.23Å; C551-L559 HydrophobicContact CB-CG 3.89Å; C551-L559 WeakPolarHBondContact SG-CD1 3.19Å; L559-K561 PolarHBondContact O-N 3.35Å; L559-C587 HydrophobicContact CD2-CB 4.29Å
560	D	90.6	Very high	92.2	Very high	35 Å²	35	41.1 Å²	41.1	19%	0.187	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-72.8	120.7	169.3	-174.8	0.9	0	0	0	109.9	C388 R562 Y580	C388-D560 HydrophobicContact CB-CB 3.92Å; D560-R562 VanDerWaalsContact CG-NE 3.27Å; D560-R562 VanDerWaalsContact OD1-CB 3.25Å; D560-R562 WeakPolarHBondContact OD1-CB 3.47Å; D560-R562 WeakPolarHBondContact OD1-CG 3.35Å; D560-R562 IonicContact OD1-CZ 3.73Å; D560-R562 PolarHBondContact OD1-N 3.37Å; D560-R562 IonicContact OD1-NE 3.68Å; D560-R562 PolarHBondContact OD1-NE 3.38Å; D560-R562 IonicContact OD2-CZ 3.92Å; D560-R562 IonicContact OD2-NE 4Å; D560-R562 PolarHBondContact OD2-NE 3.08Å; D560-R562 IonicContact OD2-NH2 2.64Å; D560-R562 PolarHBondContact OD2-NH2 3.11Å; D560-Y580 VanDerWaalsContact O-CD2 3.3Å; D560-Y580 WeakPolarHBondContact O-CD2 3.5Å; D560-Y580 WeakPolarHBondContact O-CE2 3.45Å
561	K	89.1	Confident	92.2	Very high	53 Å²	53	44.2 Å²	44.2	23%	0.23	20%	0.201	C	C	.	.			trans	-107.8	11.8	-178.9	-69.6	-57	-168.9	-173.5	0	114.3	K548 L559 Q563 R564 Y580 D584	K548-K561 HydrophobicContact CD-CG 4.2Å; L559-K561 PolarHBondContact O-N 3.35Å; K561-Q563 VanDerWaalsContact C-N 3.32Å; K561-Q563 PolarHBondContact O-N 3.05Å; K561-R564 WeakPolarHBondContact O-CG 3.48Å; K561-R564 PolarHBondContact O-N 3Å; K561-Y580 HydrophobicContact CD-CE2 3.96Å; K561-Y580 PolarHBondContact NZ-OH 2.87Å; K561-D584 VanDerWaalsContact NZ-CG 3.29Å; K561-D584 IonicContact NZ-OD1 2.67Å; K561-D584 PolarHBondContact NZ-OD1 3.48Å; K561-D584 IonicContact NZ-OD2 2.77Å; K561-D584 PolarHBondContact NZ-OD2 3.14Å
562	R	89.2	Confident	92.2	Very high	62 Å²	62	49.3 Å²	49.3	23%	0.234	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-30.8	-176.6	-73.8	178.6	-62.3	155.7	5.6	114.1	P309 Q381 L383 D560	P309-R562 VanDerWaalsContact CD-O 3.28Å; P309-R562 WeakPolarHBondContact CD-O 3.49Å; P309-R562 HydrophobicContact CG-CB 3.74Å; P309-R562 HydrophobicContact CG-CG 4.14Å; P309-R562 WeakPolarHBondContact CG-O 3.32Å; Q381-R562 VanDerWaalsContact O-CD 3.31Å; Q381-R562 WeakPolarHBondContact O-CD 3.48Å; L383-R562 PolarHBondContact O-NH1 2.84Å; D560-R562 VanDerWaalsContact CG-NE 3.27Å; D560-R562 VanDerWaalsContact OD1-CB 3.25Å; D560-R562 WeakPolarHBondContact OD1-CB 3.47Å; D560-R562 WeakPolarHBondContact OD1-CG 3.35Å; D560-R562 IonicContact OD1-CZ 3.73Å; D560-R562 PolarHBondContact OD1-N 3.37Å; D560-R562 IonicContact OD1-NE 3.68Å; D560-R562 PolarHBondContact OD1-NE 3.38Å; D560-R562 IonicContact OD2-CZ 3.92Å; D560-R562 IonicContact OD2-NE 4Å; D560-R562 PolarHBondContact OD2-NE 3.08Å; D560-R562 IonicContact OD2-NH2 2.64Å; D560-R562 PolarHBondContact OD2-NH2 3.11Å
563	Q	90.9	Very high	92.3	Very high	11 Å²	11	46.2 Å²	46.2	5%	0.051	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	0.9	-177	-55.5	-62.1	-46.6	0	0	114.3	K561 L565 S566 E576 Y580	K561-Q563 VanDerWaalsContact C-N 3.32Å; K561-Q563 PolarHBondContact O-N 3.05Å; Q563-L565 PolarHBondContact O-N 2.83Å; Q563-L565 VanDerWaalsContact O-N 3.11Å; Q563-S566 WeakPolarHBondContact CA-OG 3.45Å; Q563-S566 VanDerWaalsContact O-CB 3.29Å; Q563-S566 WeakPolarHBondContact O-CB 3.34Å; Q563-S566 PolarHBondContact O-N 2.88Å; Q563-S566 PolarHBondContact O-OG 2.87Å; Q563-S566 PolarHBondContact OE1-OG 3.38Å; Q563-E576 HydrophobicContact CG-CB 4.16Å; Q563-Y580 HydrophobicContact CB-CD1 4.09Å; Q563-Y580 HydrophobicContact CB-CD2 3.77Å; Q563-Y580 HydrophobicContact CB-CE2 4.4Å; Q563-Y580 HydrophobicContact CB-CG 3.59Å; Q563-Y580 HydrophobicContact CG-CD2 4.36Å; Q563-Y580 HydrophobicContact CG-CG 4.24Å
564	R	91.1	Very high	92.4	Very high	96 Å²	96	46.9 Å²	46.9	36%	0.362	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-27.4	-175.8	80	-174.1	175.5	165.2	2.2	114.1	E307 K561	E307-R564 IonicContact OE2-CZ 3.75Å; E307-R564 IonicContact OE2-NH1 2.91Å; E307-R564 IonicContact OE2-NH2 2.77Å; E307-R564 PolarHBondContact OE2-NH2 2.97Å; K561-R564 WeakPolarHBondContact O-CG 3.48Å; K561-R564 PolarHBondContact O-N 3Å
565	L	90.7	Very high	92.4	Very high	26 Å²	26	51.2 Å²	51.2	14%	0.136	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	54.6	178.5	-70.8	177.7	0	0	0	109.8	F298 L301 L308 L316 P427 Q563	F298-L565 HydrophobicContact CE1-CD1 4.49Å; L301-L565 HydrophobicContact CD1-CD1 3.42Å; L301-L565 VanDerWaalsContact CD1-CD1 3.42Å; L308-L565 HydrophobicContact CD1-CB 3.7Å; L308-L565 HydrophobicContact CD1-CD1 4.32Å; L316-L565 WeakPolarHBondContact CD1-O 3.4Å; P427-L565 HydrophobicContact CG-CB 4.49Å; P427-L565 HydrophobicContact CG-CD2 3.94Å; Q563-L565 PolarHBondContact O-N 2.83Å; Q563-L565 VanDerWaalsContact O-N 3.11Å
566	S	92.6	Very high	92.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-100.6	160.1	177.6	-62.5	0	0	0	0	112.1	C312 P427 Q563 W568	C312-S566 PolarHBondContact SG-OG 2.85Å; P427-S566 WeakPolarHBondContact CD-O 3.34Å; Q563-S566 WeakPolarHBondContact CA-OG 3.45Å; Q563-S566 VanDerWaalsContact O-CB 3.29Å; Q563-S566 WeakPolarHBondContact O-CB 3.34Å; Q563-S566 PolarHBondContact O-N 2.88Å; Q563-S566 PolarHBondContact O-OG 2.87Å; Q563-S566 PolarHBondContact OE1-OG 3.38Å; S566-W568 VanDerWaalsContact C-N 3.32Å; S566-W568 VanDerWaalsContact O-CD1 3.29Å; S566-W568 PolarHBondContact O-N 2.81Å
567	N	91.3	Very high	92.4	Very high	17 Å²	17	48.2 Å²	48.2	9%	0.091	23%	0.232	C	C	.	.			trans	-74.8	87.2	166.4	-172.5	-11.7	0	0	0	110.1	E315 K569 R570 Q577	E315-N567 HydrophobicContact CB-CB 4.43Å; N567-K569 PolarHBondContact O-N 3.26Å; N567-K569 PolarHBondContact OD1-N 3.01Å; N567-R570 HydrophobicContact CB-CB 4.43Å; N567-R570 WeakPolarHBondContact O-CB 3.37Å; N567-R570 PolarHBondContact O-N 3.42Å; N567-R570 PolarHBondContact OD1-N 3.5Å; N567-Q577 PolarHBondContact O-NE2 2.96Å
568	W	94.2	Very high	92.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-6.5	179.6	-68.8	111.4	0	0	0	114.9	E424 A439 L440 S566 R571 L573 Q577 Y580 A581	E424-W568 HydrophobicContact CB-CB 4.36Å; E424-W568 HydrophobicContact CB-CD2 3.65Å; E424-W568 HydrophobicContact CB-CE3 4.13Å; E424-W568 HydrophobicContact CB-CG 3.75Å; E424-W568 HydrophobicContact CB-CZ2 4.34Å; E424-W568 HydrophobicContact CG-CD2 4.08Å; E424-W568 HydrophobicContact CG-CE3 4.47Å; E424-W568 HydrophobicContact CG-CH2 4.27Å; E424-W568 HydrophobicContact CG-CZ2 3.83Å; E424-W568 VanDerWaalsContact OE2-CE2 3.31Å; E424-W568 PolarHBondContact OE2-NE1 2.85Å; A439-W568 HydrophobicContact CB-CB 4.06Å; A439-W568 WeakPolarHBondContact CB-O 3.33Å; L440-W568 HydrophobicContact CD2-CE3 4.34Å; L440-W568 HydrophobicContact CD2-CZ3 4.26Å; S566-W568 VanDerWaalsContact C-N 3.32Å; S566-W568 VanDerWaalsContact O-CD1 3.29Å; S566-W568 PolarHBondContact O-N 2.81Å; W568-R571 PolarHBondContact O-NH1 3.25Å; W568-L573 HydrophobicContact CE3-CD2 4.1Å; W568-L573 HydrophobicContact CZ3-CD1 4.49Å; W568-Q577 HydrophobicContact CE3-CB 4.42Å; W568-Q577 HydrophobicContact CH2-CB 3.93Å; W568-Q577 HydrophobicContact CH2-CG 4.41Å; W568-Q577 VanDerWaalsContact CH2-O 3.3Å; W568-Q577 WeakPolarHBondContact CH2-O 3.38Å; W568-Q577 HydrophobicContact CZ3-CB 3.67Å; W568-Q577 HydrophobicContact CZ3-CG 4.29Å; W568-Y580 AromaticContact CH2-CD1 3.68Å; W568-Y580 HydrophobicContact CH2-CD1 3.68Å; W568-Y580 HydrophobicContact CH2-CE1 4.4Å; W568-Y580 AromaticContact CZ2-CD1 3.57Å; W568-Y580 HydrophobicContact CZ2-CD1 3.57Å; W568-Y580 AromaticContact CZ2-CE1 3.89Å; W568-Y580 HydrophobicContact CZ2-CE1 3.89Å; W568-A581 HydrophobicContact CH2-CB 3.94Å; W568-A581 HydrophobicContact CZ3-CB 3.96Å
569	K	91.3	Very high	92.7	Very high	92 Å²	92	47.6 Å²	47.6	40%	0.4	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-15.8	172.2	-69.9	-175.1	175.4	-168.7	0	112.9	A426 A439 N567	A426-K569 HydrophobicContact CB-CB 4.46Å; A426-K569 HydrophobicContact CB-CD 4.17Å; A426-K569 HydrophobicContact CB-CG 3.89Å; A439-K569 HydrophobicContact CB-CG 3.85Å; N567-K569 PolarHBondContact O-N 3.26Å; N567-K569 PolarHBondContact OD1-N 3.01Å
570	R	90.2	Very high	92.9	Very high	122 Å²	122	48.2 Å²	48.2	46%	0.46	23%	0.229	S	C	.	.			trans	-63.8	141.3	178.6	-174.3	178.2	174.1	99.1	0.9	111.1	E315 N567 L573	E315-R570 IonicContact OE1-NE 3.88Å; N567-R570 HydrophobicContact CB-CB 4.43Å; N567-R570 WeakPolarHBondContact O-CB 3.37Å; N567-R570 PolarHBondContact O-N 3.42Å; N567-R570 PolarHBondContact OD1-N 3.5Å; R570-L573 WeakPolarHBondContact O-CD2 3.28Å
571	R	92.6	Very high	93.2	Very high	66 Å²	66	46.5 Å²	46.5	25%	0.249	22%	0.22	C	C	.	.	S	Bend	trans	-132	141.9	172.2	-63.2	-64.9	179.4	-91.5	1.4	111.1	A439 E453 W568	A439-R571 PolarHBondContact O-NH2 3.09Å; A439-R571 VanDerWaalsContact O-NH2 3.12Å; E453-R571 WeakPolarHBondContact OE1-CD 3.33Å; E453-R571 IonicContact OE1-CZ 3.27Å; E453-R571 IonicContact OE1-NE 2.77Å; E453-R571 PolarHBondContact OE1-NE 3.38Å; E453-R571 VanDerWaalsContact OE1-NE 3.11Å; E453-R571 IonicContact OE2-NE 4Å; W568-R571 PolarHBondContact O-NH1 3.25Å
572	P	94.9	Very high	93.6	Very high	108 Å²	108	44 Å²	44	70%	0.701	21%	0.209	S	C	*	.	S	Bend	cis	-65.1	156.3	-11.8	30.7	-35.4	0	0	0	111.6
573	L	95.4	Very high	94	Very high	14 Å²	14	41.6 Å²	41.6	7%	0.073	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-66.2	142.5	170.7	-67	179.5	0	0	0	110	F399 L440 W568 R570 Q577 V578	F399-L573 HydrophobicContact CE1-CD1 4.23Å; L440-L573 HydrophobicContact CD1-CD1 4.29Å; L440-L573 HydrophobicContact CD2-CD1 4Å; W568-L573 HydrophobicContact CE3-CD2 4.1Å; W568-L573 HydrophobicContact CZ3-CD1 4.49Å; R570-L573 WeakPolarHBondContact O-CD2 3.28Å; L573-Q577 HydrophobicContact CB-CB 4.32Å; L573-V578 HydrophobicContact CB-CG2 3.71Å; L573-V578 HydrophobicContact CD1-CG2 4.44Å
574	R	94.9	Very high	94.2	Very high	26 Å²	26	41.3 Å²	41.3	10%	0.098	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-68.8	154.6	174.5	-63.9	-169.9	-53.3	-70.5	1.2	111.5	E315 E576 Q577 V578	E315-R574 IonicContact OE1-CZ 3.93Å; E315-R574 IonicContact OE1-NE 2.82Å; E315-R574 IonicContact OE1-NH1 2.72Å; E315-R574 PolarHBondContact OE1-NH1 3.23Å; E315-R574 IonicContact OE2-CZ 3.77Å; E315-R574 IonicContact OE2-NH1 3.36Å; E315-R574 PolarHBondContact OE2-NH1 3.23Å; E315-R574 IonicContact OE2-NH2 3.89Å; R574-E576 WeakPolarHBondContact CB-OE2 3.49Å; R574-E576 IonicContact NE-OE2 2.93Å; R574-E576 PolarHBondContact O-N 2.94Å; R574-Q577 HydrophobicContact CB-CG 4.26Å; R574-Q577 VanDerWaalsContact NH1-CD 3.35Å; R574-Q577 WeakPolarHBondContact O-CB 3.3Å; R574-Q577 PolarHBondContact O-N 3.28Å; R574-V578 WeakPolarHBondContact O-CG2 3.49Å; R574-V578 PolarHBondContact O-N 3.18Å
575	P	94.6	Very high	94.5	Very high	101 Å²	101	36.8 Å²	36.8	66%	0.656	18%	0.182	S	C	*	.	H	α-helix	trans	-50.8	-40.2	174.9	-27.9	36.3	0	0	0	113.6	V578 E579	P575-V578 PolarHBondContact O-N 3.4Å; P575-E579 WeakPolarHBondContact O-CB 3.4Å; P575-E579 PolarHBondContact O-N 3.24Å
576	E	93	Very high	94.8	Very high	96 Å²	96	36.7 Å²	36.7	45%	0.449	18%	0.18	S	C	.	.	H	α-helix	trans	-68.5	-37.4	179.4	-57.2	80.5	-178.3	0	0	112.2	Q563 R574 Y580	Q563-E576 HydrophobicContact CG-CB 4.16Å; R574-E576 WeakPolarHBondContact CB-OE2 3.49Å; R574-E576 IonicContact NE-OE2 2.93Å; R574-E576 PolarHBondContact O-N 2.94Å; E576-Y580 WeakPolarHBondContact O-CB 3.38Å; E576-Y580 PolarHBondContact O-N 3.4Å
577	Q	95.6	Very high	95.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.2	-42.7	174.4	-69	178.9	-65.9	0	0	110.8	N567 W568 L573 R574 Y580 A581	N567-Q577 PolarHBondContact O-NE2 2.96Å; W568-Q577 HydrophobicContact CE3-CB 4.42Å; W568-Q577 HydrophobicContact CH2-CB 3.93Å; W568-Q577 HydrophobicContact CH2-CG 4.41Å; W568-Q577 VanDerWaalsContact CH2-O 3.3Å; W568-Q577 WeakPolarHBondContact CH2-O 3.38Å; W568-Q577 HydrophobicContact CZ3-CB 3.67Å; W568-Q577 HydrophobicContact CZ3-CG 4.29Å; L573-Q577 HydrophobicContact CB-CB 4.32Å; R574-Q577 HydrophobicContact CB-CG 4.26Å; R574-Q577 VanDerWaalsContact NH1-CD 3.35Å; R574-Q577 WeakPolarHBondContact O-CB 3.3Å; R574-Q577 PolarHBondContact O-N 3.28Å; Q577-Y580 PolarHBondContact O-N 2.95Å; Q577-A581 VanDerWaalsContact O-CB 3.28Å; Q577-A581 WeakPolarHBondContact O-CB 3.31Å; Q577-A581 PolarHBondContact O-N 3.49Å
578	V	97	Very high	95.4	Very high	20 Å²	20	36 Å²	36	12%	0.121	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-47.3	178.5	171.9	0	0	0	0	110.9	I397 F399 L451 L573 R574 P575 A582	I397-V578 HydrophobicContact CD1-CG1 3.47Å; I397-V578 VanDerWaalsContact CD1-CG1 3.47Å; I397-V578 HydrophobicContact CG2-CG1 4.07Å; F399-V578 HydrophobicContact CE1-CG2 4.5Å; F399-V578 HydrophobicContact CZ-CG2 3.76Å; L451-V578 HydrophobicContact CD1-CG1 4.05Å; L573-V578 HydrophobicContact CB-CG2 3.71Å; L573-V578 HydrophobicContact CD1-CG2 4.44Å; R574-V578 WeakPolarHBondContact O-CG2 3.49Å; R574-V578 PolarHBondContact O-N 3.18Å; P575-V578 PolarHBondContact O-N 3.4Å; V578-A582 WeakPolarHBondContact O-CB 3.36Å; V578-A582 PolarHBondContact O-N 3.27Å
579	E	95.6	Very high	95.6	Very high	52 Å²	52	36.9 Å²	36.9	24%	0.243	18%	0.181	C	C	.	.	H	α-helix	trans	-63.8	-44.8	177.6	-178.4	167.2	-160	0	0	111.7	R390 P575 A582 L583	R390-E579 IonicContact CZ-OE1 3.39Å; R390-E579 IonicContact CZ-OE2 3.6Å; R390-E579 IonicContact NE-OE1 3.18Å; R390-E579 PolarHBondContact NE-OE1 3.3Å; R390-E579 IonicContact NE-OE2 3.55Å; R390-E579 IonicContact NH2-OE1 2.99Å; R390-E579 PolarHBondContact NH2-OE1 2.86Å; R390-E579 VanDerWaalsContact NH2-OE1 3.12Å; R390-E579 IonicContact NH2-OE2 2.69Å; R390-E579 PolarHBondContact NH2-OE2 3.22Å; P575-E579 WeakPolarHBondContact O-CB 3.4Å; P575-E579 PolarHBondContact O-N 3.24Å; E579-A582 PolarHBondContact O-N 3.02Å; E579-L583 HydrophobicContact CG-CD1 3.92Å; E579-L583 HydrophobicContact CG-CG 4.49Å; E579-L583 WeakPolarHBondContact O-CB 3.44Å; E579-L583 WeakPolarHBondContact O-CG 3.46Å; E579-L583 PolarHBondContact O-N 3.28Å
580	Y	95.6	Very high	95.9	Very high	15 Å²	15	34.9 Å²	34.9	6%	0.059	17%	0.174	C	C	.	.	H	α-helix	trans	-58.7	-52.4	176.6	176.5	-84.8	0	0	0	112	E424 D560 K561 Q563 W568 E576 Q577 A582 L583 D584	E424-Y580 VanDerWaalsContact OE1-CE1 3.3Å; E424-Y580 WeakPolarHBondContact OE1-CE1 3.41Å; D560-Y580 VanDerWaalsContact O-CD2 3.3Å; D560-Y580 WeakPolarHBondContact O-CD2 3.5Å; D560-Y580 WeakPolarHBondContact O-CE2 3.45Å; K561-Y580 HydrophobicContact CD-CE2 3.96Å; K561-Y580 PolarHBondContact NZ-OH 2.87Å; Q563-Y580 HydrophobicContact CB-CD1 4.09Å; Q563-Y580 HydrophobicContact CB-CD2 3.77Å; Q563-Y580 HydrophobicContact CB-CE2 4.4Å; Q563-Y580 HydrophobicContact CB-CG 3.59Å; Q563-Y580 HydrophobicContact CG-CD2 4.36Å; Q563-Y580 HydrophobicContact CG-CG 4.24Å; W568-Y580 AromaticContact CH2-CD1 3.68Å; W568-Y580 HydrophobicContact CH2-CD1 3.68Å; W568-Y580 HydrophobicContact CH2-CE1 4.4Å; W568-Y580 AromaticContact CZ2-CD1 3.57Å; W568-Y580 HydrophobicContact CZ2-CD1 3.57Å; W568-Y580 AromaticContact CZ2-CE1 3.89Å; W568-Y580 HydrophobicContact CZ2-CE1 3.89Å; E576-Y580 WeakPolarHBondContact O-CB 3.38Å; E576-Y580 PolarHBondContact O-N 3.4Å; Q577-Y580 PolarHBondContact O-N 2.95Å; Y580-A582 VanDerWaalsContact C-N 3.25Å; Y580-A582 PolarHBondContact O-N 3.48Å; Y580-L583 PolarHBondContact O-N 2.96Å; Y580-L583 VanDerWaalsContact O-N 3.15Å; Y580-D584 WeakPolarHBondContact CE1-OD2 3.23Å; Y580-D584 PolarHBondContact O-N 3.37Å; Y580-D584 PolarHBondContact OH-OD2 2.94Å
581	A	97.3	Very high	96.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.9	-38.3	-179.9	0	0	0	0	0	111.4	L440 Q442 L451 W568 Q577	L440-A581 HydrophobicContact CD2-CB 3.88Å; Q442-A581 HydrophobicContact CG-CB 4Å; L451-A581 HydrophobicContact CD2-CB 4.03Å; W568-A581 HydrophobicContact CH2-CB 3.94Å; W568-A581 HydrophobicContact CZ3-CB 3.96Å; Q577-A581 VanDerWaalsContact O-CB 3.28Å; Q577-A581 WeakPolarHBondContact O-CB 3.31Å; Q577-A581 PolarHBondContact O-N 3.49Å
582	A	97.8	Very high	96.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-69	-39.3	177.6	0	0	0	0	0	113.1	L391 I397 V449 V578 E579 Y580 V585 Y586	L391-A582 HydrophobicContact CD1-CB 4.17Å; L391-A582 HydrophobicContact CD2-CB 4.12Å; I397-A582 HydrophobicContact CD1-CB 3.82Å; I397-A582 HydrophobicContact CG1-CB 4.22Å; V449-A582 HydrophobicContact CB-CB 4.25Å; V449-A582 HydrophobicContact CG1-CB 4Å; V449-A582 HydrophobicContact CG2-CB 4.17Å; V578-A582 WeakPolarHBondContact O-CB 3.36Å; V578-A582 PolarHBondContact O-N 3.27Å; E579-A582 PolarHBondContact O-N 3.02Å; Y580-A582 VanDerWaalsContact C-N 3.25Å; Y580-A582 PolarHBondContact O-N 3.48Å; A582-V585 WeakPolarHBondContact O-CG2 3.42Å; A582-Y586 WeakPolarHBondContact O-CB 3.35Å; A582-Y586 PolarHBondContact O-N 3.21Å
583	L	96.6	Very high	96.5	Very high	12 Å²	12	30.2 Å²	30.2	6%	0.063	15%	0.148	C	C	.	.	H	α-helix	trans	-67.5	-37	179	-80.9	171.4	0	0	0	113	L389 L391 E579 Y580 V585 Y586 C587	L389-L583 HydrophobicContact CD2-CD2 3.99Å; L389-L583 HydrophobicContact CG-CD2 3.86Å; L389-L583 VanDerWaalsContact O-CD1 3.28Å; L389-L583 WeakPolarHBondContact O-CD1 3.26Å; L391-L583 HydrophobicContact CB-CD2 4.29Å; L391-L583 HydrophobicContact CB-CG 4.46Å; L391-L583 HydrophobicContact CD1-CD2 4.01Å; L391-L583 HydrophobicContact CD1-CG 4.32Å; E579-L583 HydrophobicContact CG-CD1 3.92Å; E579-L583 HydrophobicContact CG-CG 4.49Å; E579-L583 WeakPolarHBondContact O-CB 3.44Å; E579-L583 WeakPolarHBondContact O-CG 3.46Å; E579-L583 PolarHBondContact O-N 3.28Å; Y580-L583 PolarHBondContact O-N 2.96Å; Y580-L583 VanDerWaalsContact O-N 3.15Å; L583-V585 PolarHBondContact O-N 2.82Å; L583-Y586 PolarHBondContact O-N 2.87Å; L583-C587 VanDerWaalsContact O-CB 3.28Å; L583-C587 WeakPolarHBondContact O-CB 3.42Å; L583-C587 PolarHBondContact O-N 3.39Å; L583-C587 PolarHBondContact O-SG 3.42Å
584	D	95.4	Very high	96.6	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.027	17%	0.17	C	C	.	.	H	α-helix	trans	-63.7	-28.6	-177.6	-92.9	-3.7	0	0	0	112.6	K561 Y580 C587 L588	K561-D584 VanDerWaalsContact NZ-CG 3.29Å; K561-D584 IonicContact NZ-OD1 2.67Å; K561-D584 PolarHBondContact NZ-OD1 3.48Å; K561-D584 IonicContact NZ-OD2 2.77Å; K561-D584 PolarHBondContact NZ-OD2 3.14Å; Y580-D584 WeakPolarHBondContact CE1-OD2 3.23Å; Y580-D584 PolarHBondContact O-N 3.37Å; Y580-D584 PolarHBondContact OH-OD2 2.94Å; D584-C587 PolarHBondContact O-SG 3.37Å; D584-C587 VanDerWaalsContact O-SG 3.36Å; D584-L588 WeakPolarHBondContact O-CG 3.37Å
585	V	97.7	Very high	96.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-93.4	-36.2	169.8	-73.2	0	0	0	0	114.5	A420 D422 Q442 A444 V449 A582 L583 C587 L588	A420-V585 HydrophobicContact CB-CB 4.37Å; A420-V585 VanDerWaalsContact CB-O 3.31Å; A420-V585 WeakPolarHBondContact CB-O 3.44Å; D422-V585 HydrophobicContact CB-CG1 3.45Å; D422-V585 VanDerWaalsContact CB-CG1 3.45Å; Q442-V585 HydrophobicContact CB-CB 4.27Å; Q442-V585 HydrophobicContact CB-CG1 3.51Å; Q442-V585 HydrophobicContact CB-CG2 3.71Å; A444-V585 HydrophobicContact CB-CB 3.88Å; A444-V585 HydrophobicContact CB-CG2 3.77Å; V449-V585 HydrophobicContact CG1-CG2 3.91Å; V449-V585 HydrophobicContact CG2-CG2 4.48Å; A582-V585 WeakPolarHBondContact O-CG2 3.42Å; L583-V585 PolarHBondContact O-N 2.82Å; V585-C587 VanDerWaalsContact C-N 3.32Å; V585-C587 PolarHBondContact O-N 2.95Å; V585-L588 WeakPolarHBondContact O-CB 3.31Å; V585-L588 PolarHBondContact O-N 3.43Å
586	Y	98.2	Very high	96.7	Very high	25 Å²	25	31.7 Å²	31.7	10%	0.098	15%	0.151	C	C	.	.	H	α-helix	trans	-67.9	-34.9	-177.2	-168.4	-96.7	0	0	0	111.7	L391 P392 V395 A444 V449 A582 L583 L588 L589 M590	L391-Y586 HydrophobicContact CD1-CD1 4.3Å; L391-Y586 HydrophobicContact CD1-CG 4.14Å; P392-Y586 HydrophobicContact CG-CD1 4.42Å; P392-Y586 HydrophobicContact CG-CE1 3.67Å; V395-Y586 HydrophobicContact CB-CE2 4.46Å; V395-Y586 HydrophobicContact CG1-CD2 4.09Å; V395-Y586 HydrophobicContact CG1-CE2 4.17Å; V395-Y586 HydrophobicContact CG2-CD1 4.45Å; V395-Y586 HydrophobicContact CG2-CD2 3.99Å; V395-Y586 HydrophobicContact CG2-CE1 3.93Å; V395-Y586 HydrophobicContact CG2-CE2 3.39Å; V395-Y586 HydrophobicContact CG2-CG 4.48Å; A444-Y586 HydrophobicContact CB-CD2 4.41Å; V449-Y586 HydrophobicContact CG2-CD2 4.37Å; A582-Y586 WeakPolarHBondContact O-CB 3.35Å; A582-Y586 PolarHBondContact O-N 3.21Å; L583-Y586 PolarHBondContact O-N 2.87Å; Y586-L588 PolarHBondContact O-N 2.77Å; Y586-L589 HydrophobicContact CD2-CD1 4.36Å; Y586-L589 WeakPolarHBondContact O-CB 3.26Å; Y586-L589 PolarHBondContact O-N 3.47Å; Y586-L589 VanDerWaalsContact O-N 3.12Å; Y586-M590 HydrophobicContact CD1-CG 3.96Å; Y586-M590 HydrophobicContact CD1-SD 3.71Å; Y586-M590 HydrophobicContact CE1-CG 3.77Å; Y586-M590 HydrophobicContact CE1-SD 3.74Å; Y586-M590 PolarHBondContact O-N 3.4Å; Y586-M590 VanDerWaalsContact O-N 3.17Å
587	C	97.3	Very high	96.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.5	-28.1	175.4	72.3	0	0	0	0	112.6	L389 L559 L583 D584 V585 L589 M590 I591	L389-C587 HydrophobicContact CD2-CB 4Å; L559-C587 HydrophobicContact CD2-CB 4.29Å; L583-C587 VanDerWaalsContact O-CB 3.28Å; L583-C587 WeakPolarHBondContact O-CB 3.42Å; L583-C587 PolarHBondContact O-N 3.39Å; L583-C587 PolarHBondContact O-SG 3.42Å; D584-C587 PolarHBondContact O-SG 3.37Å; D584-C587 VanDerWaalsContact O-SG 3.36Å; V585-C587 VanDerWaalsContact C-N 3.32Å; V585-C587 PolarHBondContact O-N 2.95Å; C587-L589 VanDerWaalsContact C-N 3.35Å; C587-M590 PolarHBondContact O-N 2.91Å; C587-I591 WeakPolarHBondContact O-CB 3.45Å; C587-I591 WeakPolarHBondContact O-CD1 3.41Å; C587-I591 VanDerWaalsContact O-CG1 3.25Å; C587-I591 WeakPolarHBondContact O-CG1 3.46Å; C587-I591 PolarHBondContact O-N 2.76Å
588	L	98.1	Very high	96.7	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-64.3	-40.6	175	-52.2	178.6	0	0	0	111.2	A420 I514 L547 D584 V585 Y586 Y592	A420-L588 HydrophobicContact CB-CB 3.76Å; A420-L588 HydrophobicContact CB-CD1 4Å; A420-L588 HydrophobicContact CB-CG 4.4Å; I514-L588 HydrophobicContact CB-CD2 4.49Å; I514-L588 HydrophobicContact CG2-CD2 3.72Å; L547-L588 HydrophobicContact CD1-CD2 3.49Å; L547-L588 VanDerWaalsContact CD1-CD2 3.49Å; L547-L588 HydrophobicContact CD2-CD2 4.11Å; L547-L588 HydrophobicContact CG-CD2 4.46Å; D584-L588 WeakPolarHBondContact O-CG 3.37Å; V585-L588 WeakPolarHBondContact O-CB 3.31Å; V585-L588 PolarHBondContact O-N 3.43Å; Y586-L588 PolarHBondContact O-N 2.77Å; L588-Y592 WeakPolarHBondContact O-CB 3.47Å; L588-Y592 PolarHBondContact O-N 2.9Å
589	L	97.9	Very high	96.4	Very high	20 Å²	20	34.3 Å²	34.3	11%	0.105	18%	0.176	C	C	.	.	H	α-helix	trans	-64.2	-44	174.1	-61.1	-175	0	0	0	111.2	L418 A420 A444 L482 Y586 C587 Y592 Q593	L418-L589 HydrophobicContact CD2-CD2 3.81Å; L418-L589 HydrophobicContact CG-CD2 4.04Å; A420-L589 HydrophobicContact CB-CD2 3.68Å; A420-L589 HydrophobicContact CB-CG 3.92Å; A444-L589 HydrophobicContact CB-CD1 3.64Å; A444-L589 HydrophobicContact CB-CG 4.07Å; L482-L589 HydrophobicContact CD1-CD2 4.34Å; Y586-L589 HydrophobicContact CD2-CD1 4.36Å; Y586-L589 WeakPolarHBondContact O-CB 3.26Å; Y586-L589 PolarHBondContact O-N 3.47Å; Y586-L589 VanDerWaalsContact O-N 3.12Å; C587-L589 VanDerWaalsContact C-N 3.35Å; L589-Y592 PolarHBondContact O-N 3.5Å; L589-Q593 WeakPolarHBondContact O-CB 3.4Å; L589-Q593 PolarHBondContact O-N 3.14Å
590	M	97.6	Very high	96.2	Very high	49 Å²	49	35.9 Å²	35.9	24%	0.241	20%	0.198	C	C	.	.	H	α-helix	trans	-61.7	-45	178	-64.4	175.3	67.8	0	0	111.8	L389 L555 Y586 C587 Q593 K594	L389-M590 HydrophobicContact CD1-CE 4.02Å; L389-M590 HydrophobicContact CD1-SD 4.35Å; L389-M590 HydrophobicContact CD2-SD 4.08Å; L555-M590 HydrophobicContact CD1-CB 3.85Å; L555-M590 HydrophobicContact CD1-CE 4.28Å; L555-M590 HydrophobicContact CD2-CB 4.21Å; Y586-M590 HydrophobicContact CD1-CG 3.96Å; Y586-M590 HydrophobicContact CD1-SD 3.71Å; Y586-M590 HydrophobicContact CE1-CG 3.77Å; Y586-M590 HydrophobicContact CE1-SD 3.74Å; Y586-M590 PolarHBondContact O-N 3.4Å; Y586-M590 VanDerWaalsContact O-N 3.17Å; C587-M590 PolarHBondContact O-N 2.91Å; M590-Q593 PolarHBondContact O-N 2.95Å; M590-K594 WeakPolarHBondContact O-CB 3.18Å; M590-K594 PolarHBondContact O-N 3.03Å
591	I	97.6	Very high	95.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.6	-50.7	175.6	-72	162	0	0	0	109.7	I514 L547 L550 V554 L555 C587 Q593 K594 L595	I514-I591 HydrophobicContact CD1-CG2 4.06Å; I514-I591 HydrophobicContact CG1-CB 4.23Å; I514-I591 HydrophobicContact CG1-CG2 3.6Å; L547-I591 HydrophobicContact CD1-CD1 4.02Å; L550-I591 HydrophobicContact CD2-CD1 3.99Å; L550-I591 HydrophobicContact CD2-CG2 4.32Å; L550-I591 HydrophobicContact CG-CD1 3.97Å; L550-I591 HydrophobicContact CG-CG2 4.45Å; V554-I591 HydrophobicContact CG1-CG2 4.19Å; L555-I591 HydrophobicContact CD1-CG1 3.85Å; L555-I591 HydrophobicContact CD2-CG1 4.37Å; L555-I591 HydrophobicContact CG-CG1 3.94Å; C587-I591 WeakPolarHBondContact O-CB 3.45Å; C587-I591 WeakPolarHBondContact O-CD1 3.41Å; C587-I591 VanDerWaalsContact O-CG1 3.25Å; C587-I591 WeakPolarHBondContact O-CG1 3.46Å; C587-I591 PolarHBondContact O-N 2.76Å; I591-Q593 VanDerWaalsContact C-N 3.32Å; I591-Q593 PolarHBondContact O-N 3.06Å; I591-K594 PolarHBondContact O-N 2.78Å; I591-L595 HydrophobicContact CG2-CD1 3.64Å; I591-L595 HydrophobicContact CG2-CG 4.27Å; I591-L595 WeakPolarHBondContact O-CB 3.44Å; I591-L595 VanDerWaalsContact O-CG 3.27Å; I591-L595 WeakPolarHBondContact O-CG 3.45Å; I591-L595 PolarHBondContact O-N 3.45Å
592	Y	97.7	Very high	94	Very high	61 Å²	61	45.8 Å²	45.8	24%	0.239	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-44.7	-179.1	-176.1	-102.3	0	0	0	112	L418 L480 L482 I514 H517 L588 L589 L595 S596	L418-Y592 HydrophobicContact CD2-CD1 4.24Å; L418-Y592 HydrophobicContact CD2-CE1 4.4Å; L480-Y592 HydrophobicContact CD2-CE2 4.26Å; L482-Y592 HydrophobicContact CD1-CD1 4.23Å; L482-Y592 HydrophobicContact CD1-CD2 3.91Å; L482-Y592 HydrophobicContact CD1-CG 3.64Å; L482-Y592 HydrophobicContact CD2-CD2 3.96Å; L482-Y592 HydrophobicContact CD2-CE2 4.26Å; I514-Y592 HydrophobicContact CD1-CD2 4.05Å; I514-Y592 HydrophobicContact CD1-CG 4.48Å; H517-Y592 AromaticContact CD2-CD2 3.75Å; H517-Y592 AromaticContact CD2-CE2 3.89Å; H517-Y592 AromaticContact NE2-CD2 3.75Å; H517-Y592 AromaticContact NE2-CE2 3.5Å; H517-Y592 WeakPolarHBondContact NE2-CE2 3.27Å; L588-Y592 WeakPolarHBondContact O-CB 3.47Å; L588-Y592 PolarHBondContact O-N 2.9Å; L589-Y592 PolarHBondContact O-N 3.5Å; Y592-L595 PolarHBondContact O-N 3.35Å; Y592-S596 WeakPolarHBondContact O-CB 3.41Å; Y592-S596 PolarHBondContact O-N 2.95Å; Y592-S596 PolarHBondContact O-OG 3.12Å
593	Q	96.8	Very high	93.8	Very high	137 Å²	137	48.1 Å²	48.1	64%	0.64	28%	0.277	S	S	*	.	H	α-helix	trans	-63.3	-45	176.9	-173.1	176.8	4.5	0	0	111.7	L589 M590 I591 L595 S596 T597	L589-Q593 WeakPolarHBondContact O-CB 3.4Å; L589-Q593 PolarHBondContact O-N 3.14Å; M590-Q593 PolarHBondContact O-N 2.95Å; I591-Q593 VanDerWaalsContact C-N 3.32Å; I591-Q593 PolarHBondContact O-N 3.06Å; Q593-L595 VanDerWaalsContact C-N 3.33Å; Q593-L595 PolarHBondContact O-N 2.99Å; Q593-S596 WeakPolarHBondContact O-CB 3.37Å; Q593-S596 PolarHBondContact O-N 3.43Å; Q593-T597 PolarHBondContact O-N 3.37Å; Q593-T597 PolarHBondContact O-OG1 3.42Å
594	K	96.4	Very high	93.7	Very high	122 Å²	122	49.9 Å²	49.9	53%	0.53	29%	0.288	S	S	.	.	H	α-helix	trans	-61.3	-42.4	178.7	-171.6	67.8	170.6	-172.7	0	111.8	V554 L555 M590 I591 T597 L598	V554-K594 HydrophobicContact CG1-CB 4.04Å; V554-K594 HydrophobicContact CG1-CG 3.92Å; L555-K594 HydrophobicContact CD2-CB 3.95Å; L555-K594 HydrophobicContact CD2-CG 4.24Å; M590-K594 WeakPolarHBondContact O-CB 3.18Å; M590-K594 PolarHBondContact O-N 3.03Å; I591-K594 PolarHBondContact O-N 2.78Å; K594-T597 PolarHBondContact O-N 3.45Å; K594-L598 WeakPolarHBondContact O-CB 3.3Å; K594-L598 PolarHBondContact O-N 3.02Å
595	L	96.2	Very high	93.6	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-65.8	-40.4	175.5	-68.1	168.3	0	0	0	111.7	A518 V521 I522 V554 I591 Y592 Q593 T597 L598 A599	A518-L595 HydrophobicContact CB-CD1 3.65Å; A518-L595 HydrophobicContact CB-CD2 4.17Å; V521-L595 HydrophobicContact CB-CD2 4.37Å; V521-L595 HydrophobicContact CG1-CB 4.25Å; V521-L595 HydrophobicContact CG1-CD2 4.21Å; I522-L595 HydrophobicContact CG1-CD2 4.45Å; V554-L595 HydrophobicContact CG1-CD2 4.25Å; V554-L595 HydrophobicContact CG1-CG 4.23Å; V554-L595 HydrophobicContact CG2-CD2 4.48Å; I591-L595 HydrophobicContact CG2-CD1 3.64Å; I591-L595 HydrophobicContact CG2-CG 4.27Å; I591-L595 WeakPolarHBondContact O-CB 3.44Å; I591-L595 VanDerWaalsContact O-CG 3.27Å; I591-L595 WeakPolarHBondContact O-CG 3.45Å; I591-L595 PolarHBondContact O-N 3.45Å; Y592-L595 PolarHBondContact O-N 3.35Å; Q593-L595 VanDerWaalsContact C-N 3.33Å; Q593-L595 PolarHBondContact O-N 2.99Å; L595-T597 PolarHBondContact O-N 3.41Å; L595-L598 WeakPolarHBondContact O-CB 3.37Å; L595-L598 PolarHBondContact O-N 3.1Å; L595-A599 WeakPolarHBondContact O-CB 3.32Å; L595-A599 PolarHBondContact O-N 3.27Å
596	S	95.3	Very high	93.4	Very high	49 Å²	49	55.5 Å²	55.5	34%	0.343	32%	0.321	S	S	.	.	H	α-helix	trans	-61.7	-44.1	176	-58.1	0	0	0	0	111.5	Y592 Q593 L598 A599 A600	Y592-S596 WeakPolarHBondContact O-CB 3.41Å; Y592-S596 PolarHBondContact O-N 2.95Å; Y592-S596 PolarHBondContact O-OG 3.12Å; Q593-S596 WeakPolarHBondContact O-CB 3.37Å; Q593-S596 PolarHBondContact O-N 3.43Å; S596-L598 VanDerWaalsContact C-N 3.33Å; S596-L598 PolarHBondContact O-N 2.88Å; S596-A599 PolarHBondContact O-N 3.1Å; S596-A600 WeakPolarHBondContact O-CB 3.42Å; S596-A600 PolarHBondContact O-N 2.85Å
597	T	95.8	Very high	93.1	Very high	89 Å²	89	57.4 Å²	57.4	55%	0.546	33%	0.334	S	S	.	.	H	α-helix	trans	-63.4	-40.7	174.9	-56.7	0	0	0	0	111.7	Q593 K594 L595 A600 S601	Q593-T597 PolarHBondContact O-N 3.37Å; Q593-T597 PolarHBondContact O-OG1 3.42Å; K594-T597 PolarHBondContact O-N 3.45Å; L595-T597 PolarHBondContact O-N 3.41Å; T597-A600 PolarHBondContact O-N 2.67Å; T597-S601 PolarHBondContact O-N 3.04Å; T597-S601 VanDerWaalsContact O-N 3.1Å; T597-S601 PolarHBondContact O-OG 2.71Å
598	L	92.2	Very high	92.8	Very high	43 Å²	43	61.3 Å²	61.3	23%	0.225	36%	0.357	C	S	.	.	H	α-helix	trans	-61.9	-46.1	177.3	180	65.9	0	0	0	111.5	V525 F526 K594 L595 S596 A600 S601	V525-L598 HydrophobicContact CG1-CD1 4.21Å; V525-L598 HydrophobicContact CG1-CG 4.12Å; V525-L598 HydrophobicContact CG2-CG 4.4Å; F526-L598 HydrophobicContact CE2-CD1 4.38Å; F526-L598 HydrophobicContact CE2-CD2 3.88Å; F526-L598 HydrophobicContact CZ-CD1 3.89Å; F526-L598 HydrophobicContact CZ-CD2 4.22Å; K594-L598 WeakPolarHBondContact O-CB 3.3Å; K594-L598 PolarHBondContact O-N 3.02Å; L595-L598 WeakPolarHBondContact O-CB 3.37Å; L595-L598 PolarHBondContact O-N 3.1Å; S596-L598 VanDerWaalsContact C-N 3.33Å; S596-L598 PolarHBondContact O-N 2.88Å; L598-A600 VanDerWaalsContact C-N 3.32Å; L598-A600 PolarHBondContact O-N 3.49Å; L598-S601 PolarHBondContact O-N 2.81Å; L598-S601 PolarHBondContact O-OG 2.74Å
599	A	91.8	Very high	92.4	Very high	40 Å²	40	65.6 Å²	65.6	33%	0.331	38%	0.382	S	S	.	.	H	α-helix	trans	-65.4	-32.9	177.2	0	0	0	0	0	113.2	V521 V525 L595 S596 S601 T602	V521-A599 HydrophobicContact CG1-CB 4.01Å; V525-A599 HydrophobicContact CG2-CB 4.4Å; L595-A599 WeakPolarHBondContact O-CB 3.32Å; L595-A599 PolarHBondContact O-N 3.27Å; S596-A599 PolarHBondContact O-N 3.1Å; A599-S601 VanDerWaalsContact C-N 3.32Å; A599-T602 PolarHBondContact O-OG1 2.86Å
600	A	91.2	Very high	92	Very high	84 Å²	84	69.1 Å²	69.1	69%	0.694	40%	0.403	S	S	*	.	H	α-helix	trans	-79.1	-15.2	178.1	0	0	0	0	0	113.7	S596 T597 L598 T602	S596-A600 WeakPolarHBondContact O-CB 3.42Å; S596-A600 PolarHBondContact O-N 2.85Å; T597-A600 PolarHBondContact O-N 2.67Å; L598-A600 VanDerWaalsContact C-N 3.32Å; L598-A600 PolarHBondContact O-N 3.49Å; A600-T602 VanDerWaalsContact C-N 3.29Å
601	S	81.1	Confident	91.5	Very high	91 Å²	91	70.8 Å²	70.8	64%	0.636	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-3.8	177.9	65.2	0	0	0	0	114.1	T597 L598 A599	T597-S601 PolarHBondContact O-N 3.04Å; T597-S601 VanDerWaalsContact O-N 3.1Å; T597-S601 PolarHBondContact O-OG 2.71Å; L598-S601 PolarHBondContact O-N 2.81Å; L598-S601 PolarHBondContact O-OG 2.74Å; A599-S601 VanDerWaalsContact C-N 3.32Å
602	T	66.1	Low	91	Very high	132 Å²	132	77.2 Å²	77.2	81%	0.81	46%	0.455	S	S	*	.			trans	-111.3	0	171.4	45.9	0	0	0	0	110	V525 A599 A600	V525-T602 HydrophobicContact CG1-CG2 3.77Å; A599-T602 PolarHBondContact O-OG1 2.86Å; A600-T602 VanDerWaalsContact C-N 3.29Å

Retrieved 602 of 602 residues in 2400.1 ms (Link to these results)

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