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Phosphodiesterase

Cyclic nucleotide phosphodiesterase with a dual specificity for the second messengers cAMP and cGMP, which are key regulators of many important physiological processes. Has a preference for cGMP as a substrate.

AlphaFold DB , UniProt , Accession F7H8D5, Species MACMU (Macaca mulatta, Rhesus macaque), Gene PDE1B, Length 536 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	36.5	Very low	35.3	Very low	248 Å²	248	157.5 Å²	157.5	100%	1.222	84%	0.836	S	S	*	*				0	95.1	0	-123.2	171.9	173.4	0	0	106.3
2	E	32.6	Very low	35.7	Very low	185 Å²	185	158.7 Å²	158.7	86%	0.864	84%	0.842	S	S	*	*			trans	-61.7	136	167	-69.2	169.6	139.4	0	0	108.8
3	L	31.3	Very low	36	Very low	176 Å²	176	161 Å²	161	92%	0.921	85%	0.845	S	S	*	*			trans	-132.6	109.5	151.8	-82.5	171.3	0	0	0	106.7
4	S	30.1	Very low	35.9	Very low	104 Å²	104	163.2 Å²	163.2	73%	0.727	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-54	143.8	-175.8	-52.5	0	0	0	0	113.2	R6	S4-R6 PolarHBondContact O-N 3.1Å
5	P	36.8	Very low	36.7	Very low	126 Å²	126	159.9 Å²	159.9	82%	0.818	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-71.7	124.2	166.7	21.6	-16.3	0	0	0	109	S7	P5-S7 PolarHBondContact O-N 3.32Å
6	R	32.6	Very low	37	Very low	239 Å²	239	159.6 Å²	159.6	90%	0.902	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-51.3	129	170.6	-74.4	176.8	173.4	173.5	-3.5	110.3	S4	S4-R6 PolarHBondContact O-N 3.1Å
7	S	34.6	Very low	37.1	Very low	103 Å²	103	157.2 Å²	157.2	72%	0.72	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-52.4	143.5	162.2	-19	0	0	0	0	111	P5 P9	P5-S7 PolarHBondContact O-N 3.32Å; S7-P9 VanDerWaalsContact CB-CD 3.47Å
8	P	37.8	Very low	37.3	Very low	111 Å²	111	152.6 Å²	152.6	72%	0.721	82%	0.821	S	S	*	*			trans	-125.3	86.8	145.7	28.9	-13.9	0	0	0	110.7	E10	P8-E10 PolarHBondContact O-N 2.96Å
9	P	43.9	Very low	37.7	Very low	115 Å²	115	147.4 Å²	147.4	75%	0.747	80%	0.798	S	S	*	*			trans	-85.2	66.1	151.8	36.6	-27.8	0	0	0	107.3	S7	S7-P9 VanDerWaalsContact CB-CD 3.47Å
10	E	37.3	Very low	37.9	Very low	179 Å²	179	145.3 Å²	145.3	84%	0.836	79%	0.792	S	S	*	*			trans	-150.9	26.5	-178.8	-111.5	178.1	-158.5	0	0	112.2	P8	P8-E10 PolarHBondContact O-N 2.96Å
11	M	35.3	Very low	38.1	Very low	146 Å²	146	145.7 Å²	145.7	72%	0.719	79%	0.793	S	S	*	*	S	Bend	trans	-119.8	13	168.4	-63.8	-138.4	-32.5	0	0	113.6
12	L	39.9	Very low	38.6	Very low	172 Å²	172	140 Å²	140	90%	0.901	76%	0.763	S	S	*	*	S	Bend	trans	-108.5	7.2	179	-72.9	172.6	0	0	0	113.4
13	E	38.8	Very low	39.5	Very low	189 Å²	189	134.1 Å²	134.1	88%	0.883	74%	0.737	S	S	*	*			trans	-117.4	69.4	171.4	-72.5	-169.9	170.3	0	0	110.1
14	E	35.7	Very low	40.3	Very low	192 Å²	192	134.2 Å²	134.2	90%	0.897	73%	0.73	S	S	*	*			trans	-147	107.2	145.9	-110.6	176.2	-169	0	0	106	D16	E14-D16 PolarHBondContact O-N 3.38Å; E14-D16 VanDerWaalsContact O-N 3.1Å
15	S	47.3	Very low	41.5	Very low	113 Å²	113	133.3 Å²	133.3	79%	0.79	72%	0.724	S	S	*	*			trans	-60.7	104.8	172.1	52.3	0	0	0	0	109.2
16	D	40.9	Very low	42.4	Very low	156 Å²	156	129.9 Å²	129.9	83%	0.834	71%	0.706	S	S	*	*			trans	-173.7	79.8	143.5	-92	-19.5	0	0	0	107.3	E14 P18	E14-D16 PolarHBondContact O-N 3.38Å; E14-D16 VanDerWaalsContact O-N 3.1Å; D16-P18 WeakPolarHBondContact O-CD 3.22Å
17	C	39.2	Very low	43.9	Very low	119 Å²	119	119.1 Å²	119.1	80%	0.804	67%	0.668	S	S	*	*			trans	-84	112.1	161	-90	0	0	0	0	106.8
18	P	41.7	Very low	45.6	Very low	73 Å²	73	117 Å²	117	47%	0.474	65%	0.653	S	S	.	*			trans	-60.9	142.5	176.7	-15.7	28.7	0	0	0	109.7	D16 E22	D16-P18 WeakPolarHBondContact O-CD 3.22Å; P18-E22 WeakPolarHBondContact CA-OE2 3.43Å; P18-E22 HydrophobicContact CB-CB 3.93Å
19	S	44.7	Very low	47	Very low	55 Å²	55	120.1 Å²	120.1	39%	0.385	66%	0.655	S	S	.	*			trans	-57.5	149.9	170.1	169.5	0	0	0	0	110	L21 E22	S19-L21 PolarHBondContact O-N 2.79Å; S19-E22 PolarHBondContact N-OE2 2.91Å; S19-E22 PolarHBondContact O-N 3.48Å
20	P	40.3	Very low	48.3	Very low	105 Å²	105	122.7 Å²	122.7	68%	0.682	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.9	-16.1	175.7	-25.9	33.8	0	0	0	114.7
21	L	43.6	Very low	49.7	Very low	154 Å²	154	116.2 Å²	116.2	81%	0.806	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-0.4	178.3	-70	159.5	0	0	0	114.7	S19	S19-L21 PolarHBondContact O-N 2.79Å
22	E	45.7	Very low	51.4	Low	127 Å²	127	114.1 Å²	114.1	59%	0.593	61%	0.609	S	S	*	*			trans	-107.3	-8.4	-173.4	-72.2	-176.5	149	0	0	115.4	P18 S19 K24	P18-E22 WeakPolarHBondContact CA-OE2 3.43Å; P18-E22 HydrophobicContact CB-CB 3.93Å; S19-E22 PolarHBondContact N-OE2 2.91Å; S19-E22 PolarHBondContact O-N 3.48Å; E22-K24 PolarHBondContact O-N 3.45Å
23	L	53	Low	52.9	Low	62 Å²	62	110.7 Å²	110.7	33%	0.325	59%	0.591	S	S	.	*			trans	-77.9	89.1	174.2	-105.6	98	0	0	0	110.8	M31 A69	L23-M31 HydrophobicContact CD2-CE 3.85Å; L23-A69 HydrophobicContact CB-CB 4.36Å; L23-A69 HydrophobicContact CD2-CB 4.05Å
24	K	47.9	Very low	54.6	Low	178 Å²	178	107.7 Å²	107.7	77%	0.774	58%	0.575	S	S	*	*			trans	-93.1	7.1	177.3	-69.7	-174.6	177.6	179.3	0	114.5	E22	E22-K24 PolarHBondContact O-N 3.45Å
25	S	54	Low	56.5	Low	86 Å²	86	99 Å²	99	60%	0.601	53%	0.534	S	S	*	.	S	Bend	trans	-146.3	152.7	-175.9	62.8	0	0	0	0	112.9
26	A	57.3	Low	57.7	Low	53 Å²	53	101 Å²	101	44%	0.438	52%	0.524	S	S	.	.			trans	-39.8	128.9	172.9	0	0	0	0	0	113.6	S28 D73	A26-S28 PolarHBondContact O-N 2.97Å; A26-D73 WeakPolarHBondContact CB-OD2 3.24Å
27	P	62.9	Low	59.4	Low	14 Å²	14	96.9 Å²	96.9	9%	0.091	51%	0.508	C	S	.	.			trans	-67.8	130.6	-179	18.6	-23.7	0	0	0	112.1	M31 W32 L66 V70	P27-M31 HydrophobicContact CB-CB 4.22Å; P27-M31 HydrophobicContact CB-CE 4.03Å; P27-M31 HydrophobicContact CB-SD 3.98Å; P27-W32 HydrophobicContact CG-CZ2 4.25Å; P27-W32 PolarHBondContact O-NE1 2.96Å; P27-L66 HydrophobicContact CB-CD2 4.46Å; P27-V70 HydrophobicContact CG-CG2 3.33Å
28	S	69.7	Low	61.1	Low	59 Å²	59	93.2 Å²	93.2	41%	0.413	48%	0.48	S	S	.	.			trans	-64.6	157.2	-176	75.1	0	0	0	0	112.9	A26 K30 M31 W32	A26-S28 PolarHBondContact O-N 2.97Å; S28-K30 PolarHBondContact O-N 3.41Å; S28-M31 WeakPolarHBondContact O-CA 3.4Å; S28-M31 WeakPolarHBondContact O-CB 3.22Å; S28-M31 PolarHBondContact O-N 3.46Å; S28-W32 PolarHBondContact O-N 2.92Å
29	K	68	Low	62.8	Low	176 Å²	176	93 Å²	93	77%	0.765	48%	0.475	S	S	*	.	H	α-helix	trans	-51.8	-30.3	174.1	-169.5	173.1	-177.3	174.5	0	113.4	I33	K29-I33 HydrophobicContact CG-CD1 4.46Å; K29-I33 WeakPolarHBondContact O-CD1 3.17Å; K29-I33 WeakPolarHBondContact O-CG1 3.41Å; K29-I33 PolarHBondContact O-N 3.33Å
30	K	70.5	Confident	64.4	Low	168 Å²	168	98.2 Å²	98.2	73%	0.73	49%	0.486	S	S	*	.	H	α-helix	trans	-68.4	-34.6	174.7	-71.8	-176.8	178.4	178.8	0	112.4	S28 I33 K34	S28-K30 PolarHBondContact O-N 3.41Å; K30-I33 PolarHBondContact O-N 2.76Å; K30-K34 PolarHBondContact O-N 2.89Å; K30-K34 VanDerWaalsContact O-N 3.11Å
31	M	68.3	Low	66.2	Low	44 Å²	44	98.2 Å²	98.2	22%	0.217	47%	0.473	C	S	.	.	H	α-helix	trans	-69.4	-40	178	-65.3	174.3	68.2	0	0	111.5	L23 P27 S28 I33 K34 L35 L66	L23-M31 HydrophobicContact CD2-CE 3.85Å; P27-M31 HydrophobicContact CB-CB 4.22Å; P27-M31 HydrophobicContact CB-CE 4.03Å; P27-M31 HydrophobicContact CB-SD 3.98Å; S28-M31 WeakPolarHBondContact O-CA 3.4Å; S28-M31 WeakPolarHBondContact O-CB 3.22Å; S28-M31 PolarHBondContact O-N 3.46Å; M31-I33 PolarHBondContact O-N 3.34Å; M31-K34 WeakPolarHBondContact O-CB 3.28Å; M31-K34 PolarHBondContact O-N 2.93Å; M31-L35 PolarHBondContact O-N 3.37Å; M31-L66 HydrophobicContact CE-CD1 3.64Å; M31-L66 HydrophobicContact CE-CG 4.38Å
32	W	69.7	Low	67.6	Low	101 Å²	101	91.4 Å²	91.4	38%	0.383	44%	0.437	S	S	.	.	H	α-helix	trans	-63	-39.2	174.1	-73.4	113.6	0	0	0	113.7	P27 S28 K34 L35 R36 L67 V70	P27-W32 HydrophobicContact CG-CZ2 4.25Å; P27-W32 PolarHBondContact O-NE1 2.96Å; S28-W32 PolarHBondContact O-N 2.92Å; W32-K34 VanDerWaalsContact C-N 3.33Å; W32-L35 HydrophobicContact CE3-CD2 3.81Å; W32-L35 HydrophobicContact CZ3-CD2 3.64Å; W32-L35 PolarHBondContact O-N 2.9Å; W32-R36 WeakPolarHBondContact O-CB 3.25Å; W32-R36 PolarHBondContact O-N 2.97Å; W32-L67 HydrophobicContact CH2-CD2 4.47Å; W32-V70 HydrophobicContact CH2-CB 4.27Å; W32-V70 HydrophobicContact CH2-CG1 4.09Å; W32-V70 HydrophobicContact CH2-CG2 3.51Å; W32-V70 HydrophobicContact CZ2-CB 4.17Å; W32-V70 HydrophobicContact CZ2-CG1 3.9Å; W32-V70 HydrophobicContact CZ2-CG2 3.22Å
33	I	72.7	Confident	69	Low	101 Å²	101	89 Å²	89	52%	0.518	43%	0.431	S	S	.	.	H	α-helix	trans	-65.2	-39.3	175	-67	166.6	0	0	0	110.6	K29 K30 M31 S37	K29-I33 HydrophobicContact CG-CD1 4.46Å; K29-I33 WeakPolarHBondContact O-CD1 3.17Å; K29-I33 WeakPolarHBondContact O-CG1 3.41Å; K29-I33 PolarHBondContact O-N 3.33Å; K30-I33 PolarHBondContact O-N 2.76Å; M31-I33 PolarHBondContact O-N 3.34Å; I33-S37 WeakPolarHBondContact O-CB 3.35Å; I33-S37 PolarHBondContact O-N 2.8Å; I33-S37 VanDerWaalsContact O-N 3.16Å; I33-S37 PolarHBondContact O-OG 3.33Å
34	K	73.4	Confident	70.2	Confident	126 Å²	126	92 Å²	92	55%	0.548	44%	0.442	S	S	.	.	H	α-helix	trans	-64.5	-47.5	173.8	-77.9	-174.4	174.8	-173	0	111.6	K30 M31 W32 R36 S37 L38	K30-K34 PolarHBondContact O-N 2.89Å; K30-K34 VanDerWaalsContact O-N 3.11Å; M31-K34 WeakPolarHBondContact O-CB 3.28Å; M31-K34 PolarHBondContact O-N 2.93Å; W32-K34 VanDerWaalsContact C-N 3.33Å; K34-R36 PolarHBondContact O-N 2.82Å; K34-S37 WeakPolarHBondContact O-CB 3.17Å; K34-S37 PolarHBondContact O-N 3.14Å; K34-S37 VanDerWaalsContact O-N 3.14Å; K34-L38 WeakPolarHBondContact O-CB 3.17Å; K34-L38 PolarHBondContact O-N 3.47Å
35	L	74.9	Confident	71.4	Confident	8 Å²	8	85.7 Å²	85.7	4%	0.042	42%	0.415	C	S	.	.	H	α-helix	trans	-58.6	-47.4	179	-173.6	69.6	0	0	0	112	M31 W32 S37 L38 L39 T63 L66	M31-L35 PolarHBondContact O-N 3.37Å; W32-L35 HydrophobicContact CE3-CD2 3.81Å; W32-L35 HydrophobicContact CZ3-CD2 3.64Å; W32-L35 PolarHBondContact O-N 2.9Å; L35-S37 VanDerWaalsContact C-N 3.27Å; L35-S37 PolarHBondContact O-N 3.49Å; L35-L38 PolarHBondContact O-N 2.92Å; L35-L39 HydrophobicContact CG-CD1 4.16Å; L35-L39 WeakPolarHBondContact O-CG 3.28Å; L35-L39 PolarHBondContact O-N 3.46Å; L35-T63 HydrophobicContact CD1-CG2 3.7Å; L35-T63 WeakPolarHBondContact CD1-OG1 3.4Å; L35-L66 HydrophobicContact CB-CD2 4.29Å; L35-L66 HydrophobicContact CD1-CD2 4.43Å; L35-L66 HydrophobicContact CD2-CD2 3.98Å; L35-L66 HydrophobicContact CG-CD2 4.47Å
36	R	74.3	Confident	72.3	Confident	155 Å²	155	86.4 Å²	86.4	59%	0.585	41%	0.411	S	S	*	.	H	α-helix	trans	-59.9	-38.9	177.1	-178.4	179.5	175.1	-177	0.9	112.1	W32 K34 R40	W32-R36 WeakPolarHBondContact O-CB 3.25Å; W32-R36 PolarHBondContact O-N 2.97Å; K34-R36 PolarHBondContact O-N 2.82Å; R36-R40 VanDerWaalsContact NH2-NH2 3.1Å; R36-R40 WeakPolarHBondContact O-CB 3.31Å; R36-R40 WeakPolarHBondContact O-CG 3.29Å; R36-R40 PolarHBondContact O-N 3.32Å
37	S	75.4	Confident	73.2	Confident	70 Å²	70	90.9 Å²	90.9	49%	0.49	42%	0.423	S	S	.	.	H	α-helix	trans	-69.7	-40.7	178.2	-55.9	0	0	0	0	111.4	I33 K34 L35 R40 Y41	I33-S37 WeakPolarHBondContact O-CB 3.35Å; I33-S37 PolarHBondContact O-N 2.8Å; I33-S37 VanDerWaalsContact O-N 3.16Å; I33-S37 PolarHBondContact O-OG 3.33Å; K34-S37 WeakPolarHBondContact O-CB 3.17Å; K34-S37 PolarHBondContact O-N 3.14Å; K34-S37 VanDerWaalsContact O-N 3.14Å; L35-S37 VanDerWaalsContact C-N 3.27Å; L35-S37 PolarHBondContact O-N 3.49Å; S37-R40 PolarHBondContact O-N 2.74Å; S37-Y41 WeakPolarHBondContact O-CB 3.43Å; S37-Y41 PolarHBondContact O-N 3.22Å
38	L	75.6	Confident	73.9	Confident	43 Å²	43	95.2 Å²	95.2	23%	0.225	45%	0.445	C	S	.	.	H	α-helix	trans	-63.5	-48.4	177.7	-162.4	81	0	0	0	111.7	K34 L35 R40 Y41 M42 N59 Y62	K34-L38 WeakPolarHBondContact O-CB 3.17Å; K34-L38 PolarHBondContact O-N 3.47Å; L35-L38 PolarHBondContact O-N 2.92Å; L38-R40 VanDerWaalsContact C-N 3.35Å; L38-R40 PolarHBondContact O-N 3.25Å; L38-Y41 WeakPolarHBondContact O-CB 3.34Å; L38-Y41 PolarHBondContact O-N 3.33Å; L38-Y41 VanDerWaalsContact O-N 3.17Å; L38-M42 HydrophobicContact CG-SD 4.37Å; L38-M42 WeakPolarHBondContact O-CG 3.44Å; L38-M42 PolarHBondContact O-N 2.79Å; L38-N59 HydrophobicContact CD2-CB 3.85Å; L38-N59 HydrophobicContact CG-CB 4.3Å; L38-Y62 HydrophobicContact CD2-CD1 4.2Å
39	L	76.3	Confident	73.6	Confident	69 Å²	69	95.4 Å²	95.4	36%	0.361	46%	0.457	S	S	.	.	H	α-helix	trans	-61.7	-41.7	178.1	-74.4	172.5	0	0	0	112.1	L35 Y41 M42 V43 T63	L35-L39 HydrophobicContact CG-CD1 4.16Å; L35-L39 WeakPolarHBondContact O-CG 3.28Å; L35-L39 PolarHBondContact O-N 3.46Å; L39-Y41 VanDerWaalsContact C-N 3.33Å; L39-Y41 PolarHBondContact O-N 3.22Å; L39-M42 HydrophobicContact CD2-SD 4.42Å; L39-M42 PolarHBondContact O-N 2.99Å; L39-V43 WeakPolarHBondContact O-CG2 3.33Å; L39-V43 PolarHBondContact O-N 3.25Å; L39-T63 HydrophobicContact CD1-CG2 4.41Å; L39-T63 HydrophobicContact CD2-CG2 4.09Å
40	R	79.3	Confident	73.5	Confident	163 Å²	163	93.7 Å²	93.7	62%	0.615	45%	0.452	S	S	*	.	H	α-helix	trans	-65.5	-36.5	175.6	-76.8	-178.6	174.8	-148.5	-6.3	112.6	R36 S37 L38 K44	R36-R40 VanDerWaalsContact NH2-NH2 3.1Å; R36-R40 WeakPolarHBondContact O-CB 3.31Å; R36-R40 WeakPolarHBondContact O-CG 3.29Å; R36-R40 PolarHBondContact O-N 3.32Å; S37-R40 PolarHBondContact O-N 2.74Å; L38-R40 VanDerWaalsContact C-N 3.35Å; L38-R40 PolarHBondContact O-N 3.25Å; R40-K44 PolarHBondContact O-N 2.94Å; R40-K44 VanDerWaalsContact O-N 3.15Å
41	Y	77.1	Confident	73.5	Confident	106 Å²	106	88.2 Å²	88.2	42%	0.416	43%	0.432	S	S	.	.	H	α-helix	trans	-65.9	-43.9	175.1	175.9	-108.3	0	0	0	111.5	S37 L38 L39 V43 K44 Q45	S37-Y41 WeakPolarHBondContact O-CB 3.43Å; S37-Y41 PolarHBondContact O-N 3.22Å; L38-Y41 WeakPolarHBondContact O-CB 3.34Å; L38-Y41 PolarHBondContact O-N 3.33Å; L38-Y41 VanDerWaalsContact O-N 3.17Å; L39-Y41 VanDerWaalsContact C-N 3.33Å; L39-Y41 PolarHBondContact O-N 3.22Å; Y41-V43 PolarHBondContact O-N 2.92Å; Y41-K44 PolarHBondContact O-N 3.16Å; Y41-Q45 HydrophobicContact CD1-CG 4.5Å; Y41-Q45 HydrophobicContact CE1-CG 4.12Å; Y41-Q45 HydrophobicContact CE2-CG 4.17Å; Y41-Q45 WeakPolarHBondContact O-CG 3.44Å; Y41-Q45 PolarHBondContact O-N 2.95Å; Y41-Q45 PolarHBondContact OH-NE2 3Å
42	M	73.4	Confident	73.9	Confident	11 Å²	11	90.5 Å²	90.5	5%	0.054	45%	0.445	C	S	.	.	H	α-helix	trans	-62.1	-42.9	176.7	-68	164.4	71.3	0	0	112.7	L38 L39 K44 Q45 L46 L56 N59 L60	L38-M42 HydrophobicContact CG-SD 4.37Å; L38-M42 WeakPolarHBondContact O-CG 3.44Å; L38-M42 PolarHBondContact O-N 2.79Å; L39-M42 HydrophobicContact CD2-SD 4.42Å; L39-M42 PolarHBondContact O-N 2.99Å; M42-K44 VanDerWaalsContact C-N 3.29Å; M42-K44 PolarHBondContact O-N 3Å; M42-Q45 PolarHBondContact O-N 2.93Å; M42-L46 WeakPolarHBondContact O-CG 3.36Å; M42-L46 PolarHBondContact O-N 3.5Å; M42-L56 HydrophobicContact CB-CD1 4.09Å; M42-L56 HydrophobicContact CE-CD1 3.43Å; M42-L56 VanDerWaalsContact CE-CD1 3.43Å; M42-L56 HydrophobicContact CE-CG 4.21Å; M42-L56 HydrophobicContact CG-CD1 4.1Å; M42-N59 HydrophobicContact CE-CB 3.92Å; M42-N59 HydrophobicContact CG-CB 4.32Å; M42-N59 HydrophobicContact SD-CB 3.52Å; M42-N59 VanDerWaalsContact SD-CB 3.52Å; M42-L60 HydrophobicContact CE-CD2 3.65Å; M42-L60 HydrophobicContact CE-CG 3.55Å
43	V	75.9	Confident	74	Confident	75 Å²	75	92.1 Å²	92.1	46%	0.455	46%	0.46	S	S	.	.	H	α-helix	trans	-58.9	-43.8	174.7	170	0	0	0	0	110.7	L39 Y41 Q45 L46 E47	L39-V43 WeakPolarHBondContact O-CG2 3.33Å; L39-V43 PolarHBondContact O-N 3.25Å; Y41-V43 PolarHBondContact O-N 2.92Å; V43-Q45 VanDerWaalsContact C-N 3.34Å; V43-Q45 PolarHBondContact O-N 3.28Å; V43-L46 PolarHBondContact O-N 2.91Å; V43-E47 HydrophobicContact CG1-CG 4.44Å; V43-E47 WeakPolarHBondContact O-CG 3.47Å; V43-E47 PolarHBondContact O-N 3.47Å
44	K	77.3	Confident	74.1	Confident	127 Å²	127	95.1 Å²	95.1	55%	0.552	47%	0.472	S	S	*	.	H	α-helix	trans	-66.1	-35.1	179.1	-163.1	177.7	-178.2	-175.2	0	112.9	R40 Y41 M42 N48	R40-K44 PolarHBondContact O-N 2.94Å; R40-K44 VanDerWaalsContact O-N 3.15Å; Y41-K44 PolarHBondContact O-N 3.16Å; M42-K44 VanDerWaalsContact C-N 3.29Å; M42-K44 PolarHBondContact O-N 3Å; K44-N48 WeakPolarHBondContact O-CB 3.22Å; K44-N48 VanDerWaalsContact O-CG 3.26Å; K44-N48 PolarHBondContact O-N 2.73Å; K44-N48 VanDerWaalsContact O-N 3.13Å; K44-N48 PolarHBondContact O-ND2 2.95Å
45	Q	74.4	Confident	74.1	Confident	45 Å²	45	93.4 Å²	93.4	21%	0.21	47%	0.466	C	S	.	.	H	α-helix	trans	-69.1	-37.8	174.7	-70.4	-67.1	36.3	0	0	112.4	Y41 M42 V43 N48 G49 E50	Y41-Q45 HydrophobicContact CD1-CG 4.5Å; Y41-Q45 HydrophobicContact CE1-CG 4.12Å; Y41-Q45 HydrophobicContact CE2-CG 4.17Å; Y41-Q45 WeakPolarHBondContact O-CG 3.44Å; Y41-Q45 PolarHBondContact O-N 2.95Å; Y41-Q45 PolarHBondContact OH-NE2 3Å; M42-Q45 PolarHBondContact O-N 2.93Å; V43-Q45 VanDerWaalsContact C-N 3.34Å; V43-Q45 PolarHBondContact O-N 3.28Å; Q45-N48 PolarHBondContact O-N 3.33Å; Q45-G49 PolarHBondContact O-N 3.22Å; Q45-E50 PolarHBondContact O-N 2.89Å; Q45-E50 PolarHBondContact OE1-O 3.39Å
46	L	73.1	Confident	74.1	Confident	100 Å²	100	94.8 Å²	94.8	52%	0.524	47%	0.473	S	S	.	.	H	α-helix	trans	-65.7	-40.4	174.2	-73.5	162.1	0	0	0	112.1	M42 V43 V51 L56	M42-L46 WeakPolarHBondContact O-CG 3.36Å; M42-L46 PolarHBondContact O-N 3.5Å; V43-L46 PolarHBondContact O-N 2.91Å; L46-V51 HydrophobicContact CD2-CG1 4.3Å; L46-V51 HydrophobicContact CD2-CG2 3.78Å; L46-V51 HydrophobicContact CG-CG2 4.29Å; L46-L56 HydrophobicContact CD1-CD1 4.48Å; L46-L56 HydrophobicContact CD2-CD2 4.37Å
47	E	76.3	Confident	74	Confident	148 Å²	148	93.5 Å²	93.5	69%	0.692	47%	0.472	S	S	*	.	H	α-helix	trans	-68.1	-32.7	178	-73.6	173.1	168.4	0	0	113	V43	V43-E47 HydrophobicContact CG1-CG 4.44Å; V43-E47 WeakPolarHBondContact O-CG 3.47Å; V43-E47 PolarHBondContact O-N 3.47Å
48	N	76.1	Confident	74	Confident	104 Å²	104	97.3 Å²	97.3	56%	0.556	48%	0.479	S	S	*	.	H	α-helix	trans	-89.7	-4.7	-178.6	-68.6	-13.3	0	0	0	113.9	K44 Q45 E50	K44-N48 WeakPolarHBondContact O-CB 3.22Å; K44-N48 VanDerWaalsContact O-CG 3.26Å; K44-N48 PolarHBondContact O-N 2.73Å; K44-N48 VanDerWaalsContact O-N 3.13Å; K44-N48 PolarHBondContact O-ND2 2.95Å; Q45-N48 PolarHBondContact O-N 3.33Å; N48-E50 PolarHBondContact O-N 3.5Å
49	G	64.6	Low	74.1	Confident	64 Å²	64	96.4 Å²	96.4	66%	0.66	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	5.2	178.9	0	0	0	0	0	115.4	Q45 V51	Q45-G49 PolarHBondContact O-N 3.22Å; G49-V51 PolarHBondContact O-N 3.43Å
50	E	65	Low	74	Confident	140 Å²	140	97.5 Å²	97.5	65%	0.654	48%	0.481	S	S	*	.			trans	-98	74.6	177.6	-69.6	-175.1	173.7	0	0	110.1	Q45 N48	Q45-E50 PolarHBondContact O-N 2.89Å; Q45-E50 PolarHBondContact OE1-O 3.39Å; N48-E50 PolarHBondContact O-N 3.5Å
51	V	70.3	Confident	73.8	Confident	53 Å²	53	94.7 Å²	94.7	32%	0.321	47%	0.474	S	S	.	.			trans	-106.5	106.3	-175.1	-174	0	0	0	0	110.8	L46 G49 I53 L56	L46-V51 HydrophobicContact CD2-CG1 4.3Å; L46-V51 HydrophobicContact CD2-CG2 3.78Å; L46-V51 HydrophobicContact CG-CG2 4.29Å; G49-V51 PolarHBondContact O-N 3.43Å; V51-I53 PolarHBondContact O-N 2.91Å; V51-L56 HydrophobicContact CG1-CB 4.35Å; V51-L56 HydrophobicContact CG1-CD2 3.84Å
52	N	77.6	Confident	73.7	Confident	91 Å²	91	94.1 Å²	94.1	49%	0.487	47%	0.472	S	S	.	.			trans	-76.8	107.6	162.7	-174.6	-27.4	0	0	0	109	E54 E55 L56	N52-E54 VanDerWaalsContact C-N 3.31Å; N52-E54 PolarHBondContact O-N 2.77Å; N52-E54 PolarHBondContact OD1-N 3.38Å; N52-E54 VanDerWaalsContact OD1-N 3.14Å; N52-E55 HydrophobicContact CB-CB 4.08Å; N52-E55 PolarHBondContact O-N 3.42Å; N52-E55 PolarHBondContact OD1-N 3.04Å; N52-L56 WeakPolarHBondContact O-CB 3.44Å; N52-L56 PolarHBondContact O-N 2.83Å
53	I	71.6	Confident	73.6	Confident	135 Å²	135	94.1 Å²	94.1	69%	0.692	47%	0.473	S	S	*	.	H	α-helix	trans	-62.8	-35.8	-173.8	-64.4	172.4	0	0	0	112	V51 K57	V51-I53 PolarHBondContact O-N 2.91Å; I53-K57 WeakPolarHBondContact O-CB 3.28Å; I53-K57 PolarHBondContact O-N 3.13Å
54	E	73.8	Confident	73.2	Confident	165 Å²	165	92.6 Å²	92.6	77%	0.771	47%	0.468	S	S	*	.	H	α-helix	trans	-69.4	-41.2	179.2	-101.5	166.1	160	0	0	111.9	N52 K57 K58	N52-E54 VanDerWaalsContact C-N 3.31Å; N52-E54 PolarHBondContact O-N 2.77Å; N52-E54 PolarHBondContact OD1-N 3.38Å; N52-E54 VanDerWaalsContact OD1-N 3.14Å; E54-K57 PolarHBondContact O-N 3.2Å; E54-K58 WeakPolarHBondContact O-CB 3.33Å; E54-K58 PolarHBondContact O-N 3.41Å
55	E	74.7	Confident	72.9	Confident	89 Å²	89	88.5 Å²	88.5	42%	0.416	46%	0.455	S	S	.	.	H	α-helix	trans	-69.6	-39.5	176.3	-166.8	175.4	174.6	0	0	111.5	N52 K58 N59	N52-E55 HydrophobicContact CB-CB 4.08Å; N52-E55 PolarHBondContact O-N 3.42Å; N52-E55 PolarHBondContact OD1-N 3.04Å; E55-K58 PolarHBondContact O-N 3.38Å; E55-N59 WeakPolarHBondContact O-CB 3.46Å; E55-N59 VanDerWaalsContact O-CG 3.23Å; E55-N59 PolarHBondContact O-N 3.13Å; E55-N59 PolarHBondContact O-ND2 3.23Å
56	L	73.9	Confident	72.7	Confident	38 Å²	38	86.5 Å²	86.5	20%	0.199	45%	0.446	C	S	.	.	H	α-helix	trans	-61.4	-45.9	175	-171.8	75	0	0	0	111.2	M42 L46 V51 N52 N59 L60	M42-L56 HydrophobicContact CB-CD1 4.09Å; M42-L56 HydrophobicContact CE-CD1 3.43Å; M42-L56 VanDerWaalsContact CE-CD1 3.43Å; M42-L56 HydrophobicContact CE-CG 4.21Å; M42-L56 HydrophobicContact CG-CD1 4.1Å; L46-L56 HydrophobicContact CD1-CD1 4.48Å; L46-L56 HydrophobicContact CD2-CD2 4.37Å; V51-L56 HydrophobicContact CG1-CB 4.35Å; V51-L56 HydrophobicContact CG1-CD2 3.84Å; N52-L56 WeakPolarHBondContact O-CB 3.44Å; N52-L56 PolarHBondContact O-N 2.83Å; L56-N59 PolarHBondContact O-N 2.96Å; L56-L60 HydrophobicContact CG-CD1 4.22Å; L56-L60 WeakPolarHBondContact O-CB 3.1Å; L56-L60 WeakPolarHBondContact O-CG 3.19Å; L56-L60 PolarHBondContact O-N 2.77Å
57	K	73	Confident	72.4	Confident	128 Å²	128	86 Å²	86	56%	0.557	44%	0.443	S	S	*	.	H	α-helix	trans	-60.1	-48.7	177.2	-177.7	180	170.9	-175.9	0	111.2	I53 E54 N59 L60 E61	I53-K57 WeakPolarHBondContact O-CB 3.28Å; I53-K57 PolarHBondContact O-N 3.13Å; E54-K57 PolarHBondContact O-N 3.2Å; K57-N59 VanDerWaalsContact C-N 3.31Å; K57-N59 PolarHBondContact O-N 3.12Å; K57-L60 PolarHBondContact O-N 3.18Å; K57-E61 WeakPolarHBondContact CE-OE1 3.4Å; K57-E61 IonicContact NZ-OE1 3.89Å; K57-E61 WeakPolarHBondContact O-CG 3.42Å; K57-E61 PolarHBondContact O-N 3.27Å
58	K	75.8	Confident	72	Confident	149 Å²	149	84.8 Å²	84.8	65%	0.648	44%	0.438	S	S	*	.	H	α-helix	trans	-60	-40.8	178.6	-172.5	179.1	179.8	-179	0	112.2	E54 E55 Y62	E54-K58 WeakPolarHBondContact O-CB 3.33Å; E54-K58 PolarHBondContact O-N 3.41Å; E55-K58 PolarHBondContact O-N 3.38Å; K58-Y62 WeakPolarHBondContact O-CB 3.47Å; K58-Y62 PolarHBondContact O-N 2.99Å
59	N	76.3	Confident	71.6	Confident	24 Å²	24	80.7 Å²	80.7	13%	0.128	42%	0.419	C	S	.	.	H	α-helix	trans	-71.3	-34.2	178.8	-71.4	-25.9	0	0	0	112.7	L38 M42 E55 L56 K57 T63	L38-N59 HydrophobicContact CD2-CB 3.85Å; L38-N59 HydrophobicContact CG-CB 4.3Å; M42-N59 HydrophobicContact CE-CB 3.92Å; M42-N59 HydrophobicContact CG-CB 4.32Å; M42-N59 HydrophobicContact SD-CB 3.52Å; M42-N59 VanDerWaalsContact SD-CB 3.52Å; E55-N59 WeakPolarHBondContact O-CB 3.46Å; E55-N59 VanDerWaalsContact O-CG 3.23Å; E55-N59 PolarHBondContact O-N 3.13Å; E55-N59 PolarHBondContact O-ND2 3.23Å; L56-N59 PolarHBondContact O-N 2.96Å; K57-N59 VanDerWaalsContact C-N 3.31Å; K57-N59 PolarHBondContact O-N 3.12Å; N59-T63 WeakPolarHBondContact O-CB 3.24Å; N59-T63 PolarHBondContact O-N 3.02Å; N59-T63 PolarHBondContact O-OG1 3.23Å
60	L	74.4	Confident	71.6	Confident	93 Å²	93	78.8 Å²	78.8	49%	0.487	39%	0.394	S	S	.	.	H	α-helix	trans	-67	-45	172.5	-75.7	170.7	0	0	0	111.6	M42 L56 K57 Y62 T63 A64	M42-L60 HydrophobicContact CE-CD2 3.65Å; M42-L60 HydrophobicContact CE-CG 3.55Å; L56-L60 HydrophobicContact CG-CD1 4.22Å; L56-L60 WeakPolarHBondContact O-CB 3.1Å; L56-L60 WeakPolarHBondContact O-CG 3.19Å; L56-L60 PolarHBondContact O-N 2.77Å; K57-L60 PolarHBondContact O-N 3.18Å; L60-Y62 VanDerWaalsContact C-N 3.33Å; L60-Y62 PolarHBondContact O-N 3.18Å; L60-T63 PolarHBondContact O-N 2.93Å; L60-A64 WeakPolarHBondContact O-CB 3.49Å; L60-A64 PolarHBondContact O-N 3.28Å
61	E	74.9	Confident	71.3	Confident	103 Å²	103	79.8 Å²	79.8	48%	0.481	39%	0.393	S	S	.	.	H	α-helix	trans	-61.7	-40.9	176.7	-73.8	172.9	173.6	0	0	111.6	K57 A64 S65	K57-E61 WeakPolarHBondContact CE-OE1 3.4Å; K57-E61 IonicContact NZ-OE1 3.89Å; K57-E61 WeakPolarHBondContact O-CG 3.42Å; K57-E61 PolarHBondContact O-N 3.27Å; E61-A64 PolarHBondContact O-N 2.78Å; E61-S65 WeakPolarHBondContact O-CB 3.39Å; E61-S65 PolarHBondContact O-N 3.26Å; E61-S65 PolarHBondContact O-OG 3.22Å
62	Y	74.3	Confident	70.8	Confident	95 Å²	95	82 Å²	82	37%	0.373	40%	0.402	S	S	.	.	H	α-helix	trans	-64	-42.4	173.9	-176.9	-105.3	0	0	0	112.3	L38 K58 L60 S65 L66	L38-Y62 HydrophobicContact CD2-CD1 4.2Å; K58-Y62 WeakPolarHBondContact O-CB 3.47Å; K58-Y62 PolarHBondContact O-N 2.99Å; L60-Y62 VanDerWaalsContact C-N 3.33Å; L60-Y62 PolarHBondContact O-N 3.18Å; Y62-S65 PolarHBondContact O-N 3.03Å; Y62-L66 HydrophobicContact CE1-CD1 3.92Å; Y62-L66 HydrophobicContact CE2-CD1 4.23Å; Y62-L66 PolarHBondContact O-N 3.35Å
63	T	72.6	Confident	69.9	Low	10 Å²	10	79.7 Å²	79.7	6%	0.061	39%	0.39	C	S	.	.	H	α-helix	trans	-64.8	-44.5	177.5	-59.5	0	0	0	0	111.5	L35 L39 N59 L60 L66 L67	L35-T63 HydrophobicContact CD1-CG2 3.7Å; L35-T63 WeakPolarHBondContact CD1-OG1 3.4Å; L39-T63 HydrophobicContact CD1-CG2 4.41Å; L39-T63 HydrophobicContact CD2-CG2 4.09Å; N59-T63 WeakPolarHBondContact O-CB 3.24Å; N59-T63 PolarHBondContact O-N 3.02Å; N59-T63 PolarHBondContact O-OG1 3.23Å; L60-T63 PolarHBondContact O-N 2.93Å; T63-L66 PolarHBondContact O-N 3.18Å; T63-L67 HydrophobicContact CG2-CD1 3.92Å; T63-L67 HydrophobicContact CG2-CG 4.49Å; T63-L67 WeakPolarHBondContact O-CG 3.27Å; T63-L67 PolarHBondContact O-N 2.86Å
64	A	67.6	Low	68.9	Low	44 Å²	44	78.8 Å²	78.8	36%	0.364	38%	0.382	S	S	.	.	H	α-helix	trans	-60.2	-46.5	176.2	0	0	0	0	0	111.1	L60 E61 L66 L67 E68	L60-A64 WeakPolarHBondContact O-CB 3.49Å; L60-A64 PolarHBondContact O-N 3.28Å; E61-A64 PolarHBondContact O-N 2.78Å; A64-L66 VanDerWaalsContact C-N 3.31Å; A64-L66 PolarHBondContact O-N 2.85Å; A64-L67 PolarHBondContact O-N 3.28Å; A64-E68 WeakPolarHBondContact O-CB 3.39Å; A64-E68 WeakPolarHBondContact O-CG 3.42Å; A64-E68 PolarHBondContact O-N 3.38Å
65	S	71.2	Confident	67.8	Low	40 Å²	40	73.2 Å²	73.2	28%	0.28	36%	0.36	S	S	.	.	H	α-helix	trans	-61.2	-38.9	177.5	-55.5	0	0	0	0	112.3	E61 Y62 A69	E61-S65 WeakPolarHBondContact O-CB 3.39Å; E61-S65 PolarHBondContact O-N 3.26Å; E61-S65 PolarHBondContact O-OG 3.22Å; Y62-S65 PolarHBondContact O-N 3.03Å; S65-A69 WeakPolarHBondContact O-CB 3.26Å; S65-A69 PolarHBondContact O-N 3.22Å
66	L	70.3	Confident	66.7	Low	4 Å²	4	75.2 Å²	75.2	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-67.6	-40.3	176.8	-136.4	101.3	0	0	0	111.7	P27 M31 L35 Y62 T63 A64 A69 V70	P27-L66 HydrophobicContact CB-CD2 4.46Å; M31-L66 HydrophobicContact CE-CD1 3.64Å; M31-L66 HydrophobicContact CE-CG 4.38Å; L35-L66 HydrophobicContact CB-CD2 4.29Å; L35-L66 HydrophobicContact CD1-CD2 4.43Å; L35-L66 HydrophobicContact CD2-CD2 3.98Å; L35-L66 HydrophobicContact CG-CD2 4.47Å; Y62-L66 HydrophobicContact CE1-CD1 3.92Å; Y62-L66 HydrophobicContact CE2-CD1 4.23Å; Y62-L66 PolarHBondContact O-N 3.35Å; T63-L66 PolarHBondContact O-N 3.18Å; A64-L66 VanDerWaalsContact C-N 3.31Å; A64-L66 PolarHBondContact O-N 2.85Å; L66-A69 PolarHBondContact O-N 3.34Å; L66-V70 WeakPolarHBondContact O-CG2 3.44Å; L66-V70 PolarHBondContact O-N 2.76Å; L66-V70 VanDerWaalsContact O-N 3.1Å
67	L	66.8	Low	65.5	Low	88 Å²	88	79.2 Å²	79.2	46%	0.461	38%	0.381	S	S	.	.	H	α-helix	trans	-70.1	-37.3	178	-72.3	169.4	0	0	0	111.8	W32 T63 A64 V70 Y71	W32-L67 HydrophobicContact CH2-CD2 4.47Å; T63-L67 HydrophobicContact CG2-CD1 3.92Å; T63-L67 HydrophobicContact CG2-CG 4.49Å; T63-L67 WeakPolarHBondContact O-CG 3.27Å; T63-L67 PolarHBondContact O-N 2.86Å; A64-L67 PolarHBondContact O-N 3.28Å; L67-V70 PolarHBondContact O-N 2.63Å; L67-Y71 WeakPolarHBondContact O-CB 3.37Å; L67-Y71 PolarHBondContact O-N 3.09Å
68	E	68.1	Low	64.2	Low	123 Å²	123	78.6 Å²	78.6	58%	0.575	38%	0.383	S	S	*	.	H	α-helix	trans	-63.1	-41.4	171.5	-77.4	177.5	-174.8	0	0	111.3	A64 V70 Y71 I72	A64-E68 WeakPolarHBondContact O-CB 3.39Å; A64-E68 WeakPolarHBondContact O-CG 3.42Å; A64-E68 PolarHBondContact O-N 3.38Å; E68-V70 VanDerWaalsContact C-N 3.29Å; E68-V70 PolarHBondContact O-N 3.27Å; E68-Y71 PolarHBondContact O-N 2.86Å; E68-I72 WeakPolarHBondContact O-CB 3.39Å; E68-I72 WeakPolarHBondContact O-CG1 3.24Å; E68-I72 PolarHBondContact O-N 3.18Å
69	A	66.4	Low	62.7	Low	19 Å²	19	76.2 Å²	76.2	16%	0.157	38%	0.376	C	S	.	.	H	α-helix	trans	-62.8	-35.7	174.9	0	0	0	0	0	112.5	L23 S65 L66 D73	L23-A69 HydrophobicContact CB-CB 4.36Å; L23-A69 HydrophobicContact CD2-CB 4.05Å; S65-A69 WeakPolarHBondContact O-CB 3.26Å; S65-A69 PolarHBondContact O-N 3.22Å; L66-A69 PolarHBondContact O-N 3.34Å; A69-D73 VanDerWaalsContact O-CB 3.28Å; A69-D73 WeakPolarHBondContact O-CB 3.4Å; A69-D73 PolarHBondContact O-N 3.44Å
70	V	65.3	Low	60.9	Low	24 Å²	24	78 Å²	78	15%	0.145	39%	0.386	C	S	.	.	H	α-helix	trans	-72.1	-42.6	176.2	174.5	0	0	0	0	111.2	P27 W32 L66 L67 E68 I72 D73 E74	P27-V70 HydrophobicContact CG-CG2 3.33Å; W32-V70 HydrophobicContact CH2-CB 4.27Å; W32-V70 HydrophobicContact CH2-CG1 4.09Å; W32-V70 HydrophobicContact CH2-CG2 3.51Å; W32-V70 HydrophobicContact CZ2-CB 4.17Å; W32-V70 HydrophobicContact CZ2-CG1 3.9Å; W32-V70 HydrophobicContact CZ2-CG2 3.22Å; L66-V70 WeakPolarHBondContact O-CG2 3.44Å; L66-V70 PolarHBondContact O-N 2.76Å; L66-V70 VanDerWaalsContact O-N 3.1Å; L67-V70 PolarHBondContact O-N 2.63Å; E68-V70 VanDerWaalsContact C-N 3.29Å; E68-V70 PolarHBondContact O-N 3.27Å; V70-I72 VanDerWaalsContact C-N 3.34Å; V70-D73 PolarHBondContact O-N 3.4Å; V70-E74 PolarHBondContact O-N 2.83Å
71	Y	59.2	Low	59.3	Low	160 Å²	160	78.1 Å²	78.1	63%	0.627	39%	0.391	S	S	*	.	H	α-helix	trans	-60.6	-46.6	174.3	-178.6	-99.9	0	0	0	110.1	L67 E68 D73 E74 T75	L67-Y71 WeakPolarHBondContact O-CB 3.37Å; L67-Y71 PolarHBondContact O-N 3.09Å; E68-Y71 PolarHBondContact O-N 2.86Å; Y71-D73 VanDerWaalsContact C-N 3.33Å; Y71-D73 PolarHBondContact O-N 2.97Å; Y71-E74 PolarHBondContact O-N 3.49Å; Y71-T75 WeakPolarHBondContact O-CB 3.48Å; Y71-T75 PolarHBondContact O-N 3.1Å; Y71-T75 PolarHBondContact O-OG1 2.98Å
72	I	60	Low	57.8	Low	100 Å²	100	78.8 Å²	78.8	51%	0.513	39%	0.394	S	S	.	.	H	α-helix	trans	-61.6	-40.2	175.9	-68.6	165.6	0	0	0	111	E68 V70 T75 R76	E68-I72 WeakPolarHBondContact O-CB 3.39Å; E68-I72 WeakPolarHBondContact O-CG1 3.24Å; E68-I72 PolarHBondContact O-N 3.18Å; V70-I72 VanDerWaalsContact C-N 3.34Å; I72-T75 PolarHBondContact O-N 3.3Å; I72-R76 VanDerWaalsContact O-CB 3.24Å; I72-R76 WeakPolarHBondContact O-CB 3.46Å; I72-R76 PolarHBondContact O-N 2.96Å
73	D	57.1	Low	56.1	Low	42 Å²	42	78.3 Å²	78.3	23%	0.225	40%	0.398	C	S	.	.	H	α-helix	trans	-70.5	-38.8	177.9	-166.3	67.9	0	0	0	113	A26 A69 V70 Y71 R76 Q77	A26-D73 WeakPolarHBondContact CB-OD2 3.24Å; A69-D73 VanDerWaalsContact O-CB 3.28Å; A69-D73 WeakPolarHBondContact O-CB 3.4Å; A69-D73 PolarHBondContact O-N 3.44Å; V70-D73 PolarHBondContact O-N 3.4Å; Y71-D73 VanDerWaalsContact C-N 3.33Å; Y71-D73 PolarHBondContact O-N 2.97Å; D73-R76 CarbonylContact O-C 3.57Å; D73-R76 PolarHBondContact O-N 3.26Å; D73-Q77 PolarHBondContact O-N 3.29Å
74	E	51.9	Low	54.5	Low	116 Å²	116	84.4 Å²	84.4	54%	0.542	43%	0.426	S	S	.	.	H	α-helix	trans	-65.7	-43	170.6	-90.3	-177.2	157.4	0	0	111	V70 Y71 R76 Q77 I78	V70-E74 PolarHBondContact O-N 2.83Å; Y71-E74 PolarHBondContact O-N 3.49Å; E74-R76 VanDerWaalsContact C-N 3.28Å; E74-R76 PolarHBondContact O-N 3.42Å; E74-Q77 PolarHBondContact O-N 2.96Å; E74-I78 WeakPolarHBondContact O-CD1 3.06Å; E74-I78 VanDerWaalsContact O-CG1 3.26Å; E74-I78 WeakPolarHBondContact O-CG1 3.45Å; E74-I78 PolarHBondContact O-N 3Å
75	T	50.3	Low	53.3	Low	48 Å²	48	87.5 Å²	87.5	29%	0.294	44%	0.435	S	S	.	.	H	α-helix	trans	-68.4	-31.5	175.9	-30.4	0	0	0	0	110.9	Y71 I72 L79	Y71-T75 WeakPolarHBondContact O-CB 3.48Å; Y71-T75 PolarHBondContact O-N 3.1Å; Y71-T75 PolarHBondContact O-OG1 2.98Å; I72-T75 PolarHBondContact O-N 3.3Å; T75-L79 WeakPolarHBondContact O-CB 3.38Å; T75-L79 WeakPolarHBondContact O-CD1 3.41Å; T75-L79 VanDerWaalsContact O-CG 3.25Å; T75-L79 WeakPolarHBondContact O-CG 3.23Å; T75-L79 PolarHBondContact O-N 3.4Å; T75-L79 VanDerWaalsContact O-N 3.08Å
76	R	51.6	Low	52	Low	132 Å²	132	92.7 Å²	92.7	50%	0.498	46%	0.455	S	S	.	.	H	α-helix	trans	-70.9	-39.3	170.5	-114.8	179.1	169.7	174	-5.5	112	I72 D73 E74 I78 L79 D80	I72-R76 VanDerWaalsContact O-CB 3.24Å; I72-R76 WeakPolarHBondContact O-CB 3.46Å; I72-R76 PolarHBondContact O-N 2.96Å; D73-R76 CarbonylContact O-C 3.57Å; D73-R76 PolarHBondContact O-N 3.26Å; E74-R76 VanDerWaalsContact C-N 3.28Å; E74-R76 PolarHBondContact O-N 3.42Å; R76-I78 VanDerWaalsContact C-N 3.27Å; R76-I78 PolarHBondContact O-N 3.45Å; R76-L79 CarbonylContact O-C 3.56Å; R76-L79 PolarHBondContact O-N 2.97Å; R76-L79 VanDerWaalsContact O-N 3.09Å; R76-D80 WeakPolarHBondContact O-CA 3.34Å; R76-D80 WeakPolarHBondContact O-CB 3.47Å; R76-D80 PolarHBondContact O-N 2.94Å
77	Q	48.5	Very low	50.7	Low	121 Å²	121	100.7 Å²	100.7	57%	0.565	49%	0.493	S	S	*	.	H	α-helix	trans	-65.5	-31.2	173.1	-86	-177	-5.8	0	0	112.3	D73 E74 L79 T81	D73-Q77 PolarHBondContact O-N 3.29Å; E74-Q77 PolarHBondContact O-N 2.96Å; Q77-L79 VanDerWaalsContact C-N 3.33Å; Q77-T81 WeakPolarHBondContact O-CB 3.32Å; Q77-T81 WeakPolarHBondContact O-CG2 3.16Å; Q77-T81 PolarHBondContact O-N 2.97Å; Q77-T81 PolarHBondContact O-OG1 3.32Å
78	I	46.5	Very low	49.3	Very low	115 Å²	115	101.6 Å²	101.6	59%	0.59	50%	0.497	S	S	*	.	H	α-helix	trans	-70.6	-29.9	172	-68.5	160.8	0	0	0	111.5	E74 R76 T81	E74-I78 WeakPolarHBondContact O-CD1 3.06Å; E74-I78 VanDerWaalsContact O-CG1 3.26Å; E74-I78 WeakPolarHBondContact O-CG1 3.45Å; E74-I78 PolarHBondContact O-N 3Å; R76-I78 VanDerWaalsContact C-N 3.27Å; R76-I78 PolarHBondContact O-N 3.45Å; I78-T81 PolarHBondContact O-OG1 3.15Å
79	L	43.3	Very low	47.9	Very low	99 Å²	99	106.2 Å²	106.2	52%	0.518	51%	0.509	S	S	.	.	H	α-helix	trans	-90.4	-30.7	176.7	-68.7	165	0	0	0	113.2	T75 R76 Q77 E82 D83	T75-L79 WeakPolarHBondContact O-CB 3.38Å; T75-L79 WeakPolarHBondContact O-CD1 3.41Å; T75-L79 VanDerWaalsContact O-CG 3.25Å; T75-L79 WeakPolarHBondContact O-CG 3.23Å; T75-L79 PolarHBondContact O-N 3.4Å; T75-L79 VanDerWaalsContact O-N 3.08Å; R76-L79 CarbonylContact O-C 3.56Å; R76-L79 PolarHBondContact O-N 2.97Å; R76-L79 VanDerWaalsContact O-N 3.09Å; Q77-L79 VanDerWaalsContact C-N 3.33Å; L79-E82 WeakPolarHBondContact O-CB 3.47Å; L79-E82 PolarHBondContact O-N 2.89Å; L79-D83 PolarHBondContact O-N 3.01Å
80	D	39.3	Very low	46.9	Very low	62 Å²	62	109 Å²	109	33%	0.332	53%	0.527	S	S	.	.	H	α-helix	trans	-80	-19	177.6	-80.2	-23.5	0	0	0	110.8	R76 E82 D83 E84	R76-D80 WeakPolarHBondContact O-CA 3.34Å; R76-D80 WeakPolarHBondContact O-CB 3.47Å; R76-D80 PolarHBondContact O-N 2.94Å; D80-E82 PolarHBondContact O-N 3.16Å; D80-D83 PolarHBondContact O-N 3.37Å; D80-E84 HydrophobicContact CB-CG 4.38Å; D80-E84 VanDerWaalsContact O-CB 3.23Å; D80-E84 WeakPolarHBondContact O-CB 3.38Å; D80-E84 WeakPolarHBondContact O-CG 3.29Å; D80-E84 PolarHBondContact O-N 3.48Å
81	T	40.2	Very low	46.1	Very low	95 Å²	95	115 Å²	115	58%	0.583	56%	0.559	S	S	*	*	H	α-helix	trans	-70.2	-21.3	165.4	36.9	0	0	0	0	112.5	Q77 I78	Q77-T81 WeakPolarHBondContact O-CB 3.32Å; Q77-T81 WeakPolarHBondContact O-CG2 3.16Å; Q77-T81 PolarHBondContact O-N 2.97Å; Q77-T81 PolarHBondContact O-OG1 3.32Å; I78-T81 PolarHBondContact O-OG1 3.15Å
82	E	43.3	Very low	45.9	Very low	117 Å²	117	111.5 Å²	111.5	55%	0.547	56%	0.563	S	S	.	*	H	α-helix	trans	-85.7	-26.9	169.4	-68.6	-171	154.4	0	0	112.8	L79 D80	L79-E82 WeakPolarHBondContact O-CB 3.47Å; L79-E82 PolarHBondContact O-N 2.89Å; D80-E82 PolarHBondContact O-N 3.16Å
83	D	39.8	Very low	45.3	Very low	85 Å²	85	109 Å²	109	46%	0.455	55%	0.552	S	S	.	*	H	α-helix	trans	-100.3	-26.8	-176.8	-106.4	-5.2	0	0	0	115.4	L79 D80 L85 Q86 E87	L79-D83 PolarHBondContact O-N 3.01Å; D80-D83 PolarHBondContact O-N 3.37Å; D83-L85 PolarHBondContact O-N 3.15Å; D83-Q86 WeakPolarHBondContact O-CA 3.3Å; D83-Q86 WeakPolarHBondContact O-CB 3.35Å; D83-Q86 PolarHBondContact O-N 3.3Å; D83-Q86 PolarHBondContact OD1-NE2 3.4Å; D83-E87 PolarHBondContact O-N 2.7Å
84	E	39.3	Very low	45.3	Very low	139 Å²	139	110.6 Å²	110.6	65%	0.65	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-15.6	177.1	-74.5	-168.4	164.3	0	0	113.1	D80 Q86	D80-E84 HydrophobicContact CB-CG 4.38Å; D80-E84 VanDerWaalsContact O-CB 3.23Å; D80-E84 WeakPolarHBondContact O-CB 3.38Å; D80-E84 WeakPolarHBondContact O-CG 3.29Å; D80-E84 PolarHBondContact O-N 3.48Å; E84-Q86 VanDerWaalsContact C-N 3.29Å
85	L	42	Very low	45.3	Very low	108 Å²	108	107.9 Å²	107.9	57%	0.565	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-15	166.2	-84.3	163.5	0	0	0	112.9	D83	D83-L85 PolarHBondContact O-N 3.15Å
86	Q	43.9	Very low	45.4	Very low	150 Å²	150	111.8 Å²	111.8	70%	0.701	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-20.6	175.8	-61.2	-172.5	33.4	0	0	113	D83 E84	D83-Q86 WeakPolarHBondContact O-CA 3.3Å; D83-Q86 WeakPolarHBondContact O-CB 3.35Å; D83-Q86 PolarHBondContact O-N 3.3Å; D83-Q86 PolarHBondContact OD1-NE2 3.4Å; E84-Q86 VanDerWaalsContact C-N 3.29Å
87	E	42.9	Very low	45.1	Very low	172 Å²	172	108.6 Å²	108.6	80%	0.804	57%	0.569	S	S	*	*	S	Bend	trans	-97.3	-1.2	179.5	-73.6	-156.5	154	0	0	115.6	D83 R89	D83-E87 PolarHBondContact O-N 2.7Å; E87-R89 PolarHBondContact O-N 2.96Å
88	L	37.1	Very low	45.5	Very low	106 Å²	106	107 Å²	107	56%	0.555	56%	0.558	S	S	*	*	S	Bend	trans	-69.7	100.2	165.6	-90.4	163.3	0	0	0	109.2	S90	L88-S90 PolarHBondContact O-N 2.89Å
89	R	39.4	Very low	45.7	Very low	220 Å²	220	106.3 Å²	106.3	83%	0.83	56%	0.555	S	S	*	*			trans	-27.5	110.3	172.6	-70.6	-172.3	179.8	-173.8	0.6	110.3	E87 D91 A92	E87-R89 PolarHBondContact O-N 2.96Å; R89-D91 PolarHBondContact O-N 3.46Å; R89-A92 PolarHBondContact O-N 2.88Å
90	S	45.1	Very low	46.6	Very low	77 Å²	77	108.5 Å²	108.5	54%	0.538	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.7	-4.3	-165.4	54.6	0	0	0	0	116	L88	L88-S90 PolarHBondContact O-N 2.89Å
91	D	48.6	Very low	46.9	Very low	151 Å²	151	109 Å²	109	81%	0.807	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	-5.3	-167.2	-60.6	-7.8	0	0	0	113.7	R89	R89-D91 PolarHBondContact O-N 3.46Å
92	A	54.6	Low	47.6	Very low	86 Å²	86	106.5 Å²	106.5	71%	0.711	55%	0.547	S	S	*	.	S	Bend	trans	-103.6	-12.3	-174.3	0	0	0	0	0	115.4	R89	R89-A92 PolarHBondContact O-N 2.88Å
93	V	46.3	Very low	48	Very low	47 Å²	47	105.1 Å²	105.1	29%	0.285	55%	0.551	S	S	.	*	S	Bend	trans	-129.5	119	-177.9	-173.6	0	0	0	0	109.6	V97 R98	V93-V97 HydrophobicContact CG1-CB 3.81Å; V93-V97 HydrophobicContact CG1-CG1 3.89Å; V93-R98 HydrophobicContact CB-CG 4.2Å; V93-R98 HydrophobicContact CG1-CG 3.78Å
94	P	57.5	Low	48.7	Very low	77 Å²	77	104.2 Å²	104.2	50%	0.5	55%	0.549	S	S	.	.			trans	-53.5	141.4	174.9	-24.4	33.3	0	0	0	111.3	E96 V97 R98	P94-E96 VanDerWaalsContact CB-OE2 3.22Å; P94-E96 WeakPolarHBondContact CB-OE2 3.44Å; P94-E96 PolarHBondContact O-N 3.46Å; P94-E96 VanDerWaalsContact O-N 3.1Å; P94-V97 HydrophobicContact CB-CG2 4.35Å; P94-V97 HydrophobicContact CG-CG2 4.46Å; P94-V97 PolarHBondContact O-N 3.44Å; P94-R98 PolarHBondContact O-N 3.01Å
95	S	51.4	Low	49.3	Very low	59 Å²	59	105 Å²	105	41%	0.413	55%	0.55	S	S	.	*	H	α-helix	trans	-52.5	-34.8	-179.5	31.1	0	0	0	0	112.7	V97 R98 D99	S95-V97 VanDerWaalsContact C-N 3.29Å; S95-V97 PolarHBondContact O-N 3.03Å; S95-R98 PolarHBondContact O-N 3.31Å; S95-D99 WeakPolarHBondContact O-CB 3.31Å; S95-D99 VanDerWaalsContact O-CG 3.25Å; S95-D99 PolarHBondContact O-N 3.17Å
96	E	53.4	Low	49.4	Very low	130 Å²	130	103.2 Å²	103.2	61%	0.607	54%	0.544	S	S	*	.	H	α-helix	trans	-63.1	-35.2	179.4	-58.5	80.3	-176.5	0	0	112.2	P94 W100	P94-E96 VanDerWaalsContact CB-OE2 3.22Å; P94-E96 WeakPolarHBondContact CB-OE2 3.44Å; P94-E96 PolarHBondContact O-N 3.46Å; P94-E96 VanDerWaalsContact O-N 3.1Å; E96-W100 VanDerWaalsContact O-CB 3.22Å; E96-W100 WeakPolarHBondContact O-CB 3.36Å; E96-W100 PolarHBondContact O-N 3.18Å
97	V	44.9	Very low	49.3	Very low	64 Å²	64	106 Å²	106	39%	0.388	56%	0.557	S	S	.	*	H	α-helix	trans	-78.8	-35.7	-179.5	179.2	0	0	0	0	110.8	V93 P94 S95 W100 L101	V93-V97 HydrophobicContact CG1-CB 3.81Å; V93-V97 HydrophobicContact CG1-CG1 3.89Å; P94-V97 HydrophobicContact CB-CG2 4.35Å; P94-V97 HydrophobicContact CG-CG2 4.46Å; P94-V97 PolarHBondContact O-N 3.44Å; S95-V97 VanDerWaalsContact C-N 3.29Å; S95-V97 PolarHBondContact O-N 3.03Å; V97-W100 PolarHBondContact O-N 2.75Å; V97-L101 HydrophobicContact CG1-CD1 4.19Å; V97-L101 HydrophobicContact CG1-CG 4.48Å; V97-L101 WeakPolarHBondContact O-CB 3.29Å; V97-L101 VanDerWaalsContact O-CG 3.25Å; V97-L101 WeakPolarHBondContact O-CG 3.18Å; V97-L101 PolarHBondContact O-N 3.2Å
98	R	56	Low	49.2	Very low	89 Å²	89	104.8 Å²	104.8	34%	0.336	55%	0.551	S	S	.	*	H	α-helix	trans	-66.3	-45.6	172.4	-72.3	-171.5	-64.3	-145.6	-9	111.6	V93 P94 S95 W100 L101 A102	V93-R98 HydrophobicContact CB-CG 4.2Å; V93-R98 HydrophobicContact CG1-CG 3.78Å; P94-R98 PolarHBondContact O-N 3.01Å; S95-R98 PolarHBondContact O-N 3.31Å; R98-W100 VanDerWaalsContact C-N 3.28Å; R98-W100 PolarHBondContact O-N 3.05Å; R98-L101 PolarHBondContact O-N 3.41Å; R98-A102 WeakPolarHBondContact O-CB 3.4Å; R98-A102 PolarHBondContact O-N 3.3Å
99	D	51	Low	49.4	Very low	99 Å²	99	103.8 Å²	103.8	53%	0.529	56%	0.558	S	S	.	*	H	α-helix	trans	-61.4	-39.8	176.3	-72.8	-4.8	0	0	0	111	S95 S103	S95-D99 WeakPolarHBondContact O-CB 3.31Å; S95-D99 VanDerWaalsContact O-CG 3.25Å; S95-D99 PolarHBondContact O-N 3.17Å; D99-S103 WeakPolarHBondContact O-CB 3.45Å; D99-S103 PolarHBondContact O-N 3.08Å; D99-S103 PolarHBondContact O-OG 3.21Å
100	W	61.9	Low	49.4	Very low	145 Å²	145	102.3 Å²	102.3	55%	0.549	55%	0.553	S	S	.	*	H	α-helix	trans	-64.3	-48.4	174.5	178.5	76	0	0	0	112.3	E96 V97 R98 A102 S103 T104 F105	E96-W100 VanDerWaalsContact O-CB 3.22Å; E96-W100 WeakPolarHBondContact O-CB 3.36Å; E96-W100 PolarHBondContact O-N 3.18Å; V97-W100 PolarHBondContact O-N 2.75Å; R98-W100 VanDerWaalsContact C-N 3.28Å; R98-W100 PolarHBondContact O-N 3.05Å; W100-A102 PolarHBondContact O-N 2.63Å; W100-S103 PolarHBondContact O-N 2.92Å; W100-S103 PolarHBondContact O-OG 2.92Å; W100-T104 HydrophobicContact CZ2-CG2 4.29Å; W100-T104 PolarHBondContact NE1-OG1 3.09Å; W100-T104 VanDerWaalsContact O-CB 3.28Å; W100-T104 WeakPolarHBondContact O-CB 3.47Å; W100-T104 PolarHBondContact O-N 3.41Å; W100-T104 PolarHBondContact O-OG1 3.03Å; W100-F105 HydrophobicContact CH2-CE2 4.25Å; W100-F105 HydrophobicContact CZ3-CE2 4.34Å
101	L	47.6	Very low	48.9	Very low	74 Å²	74	103.6 Å²	103.6	39%	0.387	57%	0.568	S	S	.	*	H	α-helix	trans	-61.5	-44.7	179.2	-75.3	170.2	0	0	0	112	V97 R98 T104 F105	V97-L101 HydrophobicContact CG1-CD1 4.19Å; V97-L101 HydrophobicContact CG1-CG 4.48Å; V97-L101 WeakPolarHBondContact O-CB 3.29Å; V97-L101 VanDerWaalsContact O-CG 3.25Å; V97-L101 WeakPolarHBondContact O-CG 3.18Å; V97-L101 PolarHBondContact O-N 3.2Å; R98-L101 PolarHBondContact O-N 3.41Å; L101-T104 PolarHBondContact O-N 3.46Å; L101-F105 HydrophobicContact CD2-CD2 3.87Å; L101-F105 HydrophobicContact CD2-CE2 3.8Å; L101-F105 PolarHBondContact O-N 3.41Å
102	A	54.8	Low	48.7	Very low	41 Å²	41	104.6 Å²	104.6	34%	0.339	57%	0.565	S	S	.	*	H	α-helix	trans	-61	-47	174.8	0	0	0	0	0	110.9	R98 W100 T104 T106	R98-A102 WeakPolarHBondContact O-CB 3.4Å; R98-A102 PolarHBondContact O-N 3.3Å; W100-A102 PolarHBondContact O-N 2.63Å; A102-T104 PolarHBondContact O-N 2.81Å; A102-T106 PolarHBondContact O-N 3.39Å; A102-T106 PolarHBondContact O-OG1 2.86Å
103	S	51.7	Low	47.6	Very low	88 Å²	88	104 Å²	104	62%	0.615	57%	0.568	S	S	*	*	H	α-helix	trans	-65.3	-23.1	178	72.7	0	0	0	0	114.8	D99 W100	D99-S103 WeakPolarHBondContact O-CB 3.45Å; D99-S103 PolarHBondContact O-N 3.08Å; D99-S103 PolarHBondContact O-OG 3.21Å; W100-S103 PolarHBondContact O-N 2.92Å; W100-S103 PolarHBondContact O-OG 2.92Å
104	T	52.7	Low	47	Very low	67 Å²	67	113.8 Å²	113.8	41%	0.411	60%	0.6	S	S	.	*	H	α-helix	trans	-97	-34.9	-173.1	-56.6	0	0	0	0	112.5	W100 L101 A102	W100-T104 HydrophobicContact CZ2-CG2 4.29Å; W100-T104 PolarHBondContact NE1-OG1 3.09Å; W100-T104 VanDerWaalsContact O-CB 3.28Å; W100-T104 WeakPolarHBondContact O-CB 3.47Å; W100-T104 PolarHBondContact O-N 3.41Å; W100-T104 PolarHBondContact O-OG1 3.03Å; L101-T104 PolarHBondContact O-N 3.46Å; A102-T104 PolarHBondContact O-N 2.81Å
105	F	52.2	Low	45.7	Very low	155 Å²	155	121.5 Å²	121.5	68%	0.68	62%	0.619	S	S	*	*	H	α-helix	trans	-117.6	-3.9	-169.8	-64	-77.1	0	0	0	114.5	W100 L101	W100-F105 HydrophobicContact CH2-CE2 4.25Å; W100-F105 HydrophobicContact CZ3-CE2 4.34Å; L101-F105 HydrophobicContact CD2-CD2 3.87Å; L101-F105 HydrophobicContact CD2-CE2 3.8Å; L101-F105 PolarHBondContact O-N 3.41Å
106	T	45.3	Very low	44.9	Very low	71 Å²	71	123.8 Å²	123.8	44%	0.436	64%	0.641	S	S	.	*			trans	-122.5	139.9	172.3	71.4	0	0	0	0	111.2	A102 Q108	A102-T106 PolarHBondContact O-N 3.39Å; A102-T106 PolarHBondContact O-OG1 2.86Å; T106-Q108 PolarHBondContact O-N 3.13Å
107	Q	41	Very low	44	Very low	208 Å²	208	126.5 Å²	126.5	97%	0.972	65%	0.654	S	S	*	*			trans	-82.3	29.7	178.6	-92.3	-171.2	-10.6	0	0	113.1
108	Q	39.9	Very low	43.6	Very low	146 Å²	146	132.5 Å²	132.5	68%	0.682	68%	0.678	S	S	*	*			trans	-119.9	128	-178.7	-80.3	-176.6	-12.9	0	0	113.1	T106	T106-Q108 PolarHBondContact O-N 3.13Å
109	A	41.3	Very low	42.5	Very low	86 Å²	86	137.8 Å²	137.8	71%	0.711	70%	0.703	S	S	*	*			trans	-68.1	128	171.3	0	0	0	0	0	110.8	A111	A109-A111 PolarHBondContact O-N 3.28Å
110	R	40.7	Very low	41.9	Very low	189 Å²	189	137.6 Å²	137.6	71%	0.713	71%	0.707	S	S	*	*			trans	-4.4	106.1	166.7	-76.7	177	164.6	178.6	-7.3	116.6
111	A	35.1	Very low	41.2	Very low	103 Å²	103	139.4 Å²	139.4	85%	0.851	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-85.2	130.7	156.6	0	0	0	0	0	110.5	A109	A109-A111 PolarHBondContact O-N 3.28Å
112	K	42.8	Very low	40.7	Very low	172 Å²	172	144.2 Å²	144.2	75%	0.748	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-73.5	132.7	-175.3	-85.8	173.3	176.5	158.8	0	113.1	D318	K112-D318 IonicContact NZ-OD2 3.14Å; K112-D318 PolarHBondContact NZ-OD2 3.42Å
113	G	32.2	Very low	40.1	Very low	75 Å²	75	153 Å²	153	77%	0.773	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-76.4	130.7	155.7	0	0	0	0	0	111.6
114	R	33	Very low	39.8	Very low	252 Å²	252	152.4 Å²	152.4	95%	0.951	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-71.5	122.8	177	-70.2	175	172.7	166.5	-2	110.7
115	R	31	Very low	39.5	Very low	238 Å²	238	152.9 Å²	152.9	90%	0.898	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-89.2	138.4	159.7	-82.8	-176.9	175.9	170.3	-0.3	109.2	E117	R115-E117 PolarHBondContact O-N 3.36Å
116	A	34.1	Very low	39.1	Very low	107 Å²	107	148.9 Å²	148.9	88%	0.884	75%	0.745	S	S	*	*			trans	-68.7	115.5	176	0	0	0	0	0	110.4
117	E	35.8	Very low	39	Very low	187 Å²	187	152 Å²	152	87%	0.874	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-82.4	123.6	170.6	-79.4	-172.3	151	0	0	110.6	R115	R115-E117 PolarHBondContact O-N 3.36Å
118	E	34.8	Very low	39.2	Very low	190 Å²	190	145 Å²	145	89%	0.888	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-67.4	128.4	163.8	-77.8	-173.1	144.6	0	0	110.1	P120	E118-P120 WeakPolarHBondContact O-CD 3.4Å
119	K	33.2	Very low	39.5	Very low	200 Å²	200	141.7 Å²	141.7	87%	0.87	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-63.2	123.6	-179.7	-71.6	-179.5	176.7	179	0	111.6
120	P	39.1	Very low	39.6	Very low	96 Å²	96	143.1 Å²	143.1	62%	0.623	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-73	140.2	173.2	14	-8.8	0	0	0	111.6	E118	E118-P120 WeakPolarHBondContact O-CD 3.4Å
121	K	47.1	Very low	39.7	Very low	182 Å²	182	136.6 Å²	136.6	79%	0.791	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-72.5	136.8	-179.7	-65.7	178.2	-177.4	174.3	0	111	R123 S124	K121-R123 PolarHBondContact O-N 3.35Å; K121-S124 WeakPolarHBondContact O-CB 3.15Å; K121-S124 PolarHBondContact O-N 3.38Å
122	F	37.5	Very low	40	Very low	176 Å²	176	133.4 Å²	133.4	77%	0.772	68%	0.677	S	S	*	*	H	α-helix	trans	-46.5	-29.3	-170.7	-138.9	-99.9	0	0	0	116.5	I125	F122-I125 PolarHBondContact O-N 2.98Å
123	R	41.3	Very low	40.2	Very low	224 Å²	224	129.3 Å²	129.3	85%	0.845	66%	0.662	S	S	*	*	H	α-helix	trans	-72.7	-24.9	177.7	-82.2	-178.3	146.7	126.2	-3.5	114.2	K121 H127	K121-R123 PolarHBondContact O-N 3.35Å; R123-H127 PolarHBondContact O-CD2 2.98Å
124	S	46	Very low	40.6	Very low	76 Å²	76	132.6 Å²	132.6	53%	0.531	66%	0.655	S	S	.	*	H	α-helix	trans	-74.9	-27	175.6	-172.4	0	0	0	0	112.5	K121 A128	K121-S124 WeakPolarHBondContact O-CB 3.15Å; K121-S124 PolarHBondContact O-N 3.38Å; S124-A128 VanDerWaalsContact O-CB 3.29Å; S124-A128 WeakPolarHBondContact O-CB 3.48Å; S124-A128 PolarHBondContact O-N 2.91Å; S124-A128 VanDerWaalsContact O-N 3.14Å
125	I	47.3	Very low	41.3	Very low	77 Å²	77	124.1 Å²	124.1	40%	0.395	63%	0.631	S	S	.	*	H	α-helix	trans	-72.2	-41.3	-176.6	-59	175.5	0	0	0	110.2	F122 H127 A128 V129	F122-I125 PolarHBondContact O-N 2.98Å; I125-H127 PolarHBondContact O-N 3.23Å; I125-A128 PolarHBondContact O-N 3.34Å; I125-V129 HydrophobicContact CG2-CG2 4.11Å; I125-V129 WeakPolarHBondContact O-CB 3.43Å; I125-V129 WeakPolarHBondContact O-CG2 3.36Å; I125-V129 PolarHBondContact O-N 3.37Å
126	V	43.8	Very low	41.8	Very low	71 Å²	71	118.7 Å²	118.7	43%	0.43	62%	0.616	S	S	.	*	H	α-helix	trans	-65.6	-42.6	-178.6	179.9	0	0	0	0	111.8	V129 Q130	V126-V129 PolarHBondContact O-N 3.42Å; V126-Q130 WeakPolarHBondContact O-CB 3.17Å; V126-Q130 VanDerWaalsContact O-CG 3.31Å; V126-Q130 WeakPolarHBondContact O-CG 3.4Å; V126-Q130 PolarHBondContact O-N 2.98Å
127	H	42.2	Very low	42.2	Very low	137 Å²	137	122.7 Å²	122.7	63%	0.634	61%	0.608	S	S	*	*	H	α-helix	trans	-70.1	-35.3	176.4	-76.2	-90.5	0	0	0	112.4	R123 I125 A131	R123-H127 PolarHBondContact O-CD2 2.98Å; I125-H127 PolarHBondContact O-N 3.23Å; H127-A131 WeakPolarHBondContact O-CB 3.39Å; H127-A131 PolarHBondContact O-N 2.91Å
128	A	45.2	Very low	42.3	Very low	60 Å²	60	119 Å²	119	50%	0.496	59%	0.593	S	S	.	*	H	α-helix	trans	-69.7	-35.6	174.4	0	0	0	0	0	112.6	S124 I125 G132	S124-A128 VanDerWaalsContact O-CB 3.29Å; S124-A128 WeakPolarHBondContact O-CB 3.48Å; S124-A128 PolarHBondContact O-N 2.91Å; S124-A128 VanDerWaalsContact O-N 3.14Å; I125-A128 PolarHBondContact O-N 3.34Å; A128-G132 WeakPolarHBondContact O-CA 3.38Å; A128-G132 PolarHBondContact O-N 2.92Å
129	V	46.3	Very low	42.7	Very low	77 Å²	77	115 Å²	115	47%	0.467	57%	0.573	S	S	.	*	H	α-helix	trans	-71	-42.3	174.7	169.8	0	0	0	0	110.7	I125 V126 G132 I133	I125-V129 HydrophobicContact CG2-CG2 4.11Å; I125-V129 WeakPolarHBondContact O-CB 3.43Å; I125-V129 WeakPolarHBondContact O-CG2 3.36Å; I125-V129 PolarHBondContact O-N 3.37Å; V126-V129 PolarHBondContact O-N 3.42Å; V129-G132 PolarHBondContact O-N 3.47Å; V129-I133 HydrophobicContact CG1-CD1 3.73Å; V129-I133 HydrophobicContact CG1-CG1 4.4Å; V129-I133 WeakPolarHBondContact O-CB 3.33Å; V129-I133 WeakPolarHBondContact O-CD1 3.44Å; V129-I133 WeakPolarHBondContact O-CG1 3.46Å; V129-I133 PolarHBondContact O-N 3.15Å
130	Q	42.7	Very low	43.2	Very low	117 Å²	117	113.7 Å²	113.7	55%	0.547	56%	0.562	S	S	.	*	H	α-helix	trans	-68.1	-39.5	176.3	-73.5	175.6	-23.7	0	0	112.5	V126 F134	V126-Q130 WeakPolarHBondContact O-CB 3.17Å; V126-Q130 VanDerWaalsContact O-CG 3.31Å; V126-Q130 WeakPolarHBondContact O-CG 3.4Å; V126-Q130 PolarHBondContact O-N 2.98Å; Q130-F134 WeakPolarHBondContact O-CB 3.29Å; Q130-F134 PolarHBondContact O-N 3.22Å
131	A	42.4	Very low	43.2	Very low	52 Å²	52	119.5 Å²	119.5	43%	0.43	57%	0.571	S	S	.	*	H	α-helix	trans	-67.1	-39.9	171.6	0	0	0	0	0	111.5	H127 F134 V135	H127-A131 WeakPolarHBondContact O-CB 3.39Å; H127-A131 PolarHBondContact O-N 2.91Å; A131-F134 PolarHBondContact O-N 3.01Å; A131-V135 VanDerWaalsContact O-CB 3.28Å; A131-V135 WeakPolarHBondContact O-CB 3.45Å; A131-V135 WeakPolarHBondContact O-CG2 3.47Å; A131-V135 PolarHBondContact O-N 3.39Å
132	G	41.6	Very low	42.6	Very low	35 Å²	35	115.2 Å²	115.2	36%	0.361	56%	0.561	S	S	.	*	H	α-helix	trans	-60.7	-49.3	175.4	0	0	0	0	0	112	A128 V129 F134 V135 E136	A128-G132 WeakPolarHBondContact O-CA 3.38Å; A128-G132 PolarHBondContact O-N 2.92Å; V129-G132 PolarHBondContact O-N 3.47Å; G132-F134 VanDerWaalsContact C-N 3.33Å; G132-F134 PolarHBondContact O-N 2.86Å; G132-V135 PolarHBondContact O-N 3.24Å; G132-E136 WeakPolarHBondContact O-CB 3.19Å; G132-E136 PolarHBondContact O-N 3.47Å
133	I	47.8	Very low	42.9	Very low	86 Å²	86	113.5 Å²	113.5	44%	0.441	55%	0.55	S	S	.	*	H	α-helix	trans	-62.6	-39.6	176.1	-67.2	164	0	0	0	111	V129 R137	V129-I133 HydrophobicContact CG1-CD1 3.73Å; V129-I133 HydrophobicContact CG1-CG1 4.4Å; V129-I133 WeakPolarHBondContact O-CB 3.33Å; V129-I133 WeakPolarHBondContact O-CD1 3.44Å; V129-I133 WeakPolarHBondContact O-CG1 3.46Å; V129-I133 PolarHBondContact O-N 3.15Å; I133-R137 WeakPolarHBondContact O-CB 3.31Å; I133-R137 PolarHBondContact O-N 3.21Å
134	F	40	Very low	42.9	Very low	145 Å²	145	107.9 Å²	107.9	64%	0.636	54%	0.541	S	S	*	.	H	α-helix	trans	-70.3	-42.6	178.5	-174.1	-97.4	0	0	0	112.3	Q130 A131 G132 R137 M138	Q130-F134 WeakPolarHBondContact O-CB 3.29Å; Q130-F134 PolarHBondContact O-N 3.22Å; A131-F134 PolarHBondContact O-N 3.01Å; G132-F134 VanDerWaalsContact C-N 3.33Å; G132-F134 PolarHBondContact O-N 2.86Å; F134-R137 PolarHBondContact O-N 3.06Å; F134-M138 HydrophobicContact CE1-SD 4.41Å; F134-M138 VanDerWaalsContact O-CB 3.22Å; F134-M138 WeakPolarHBondContact O-CB 3.18Å; F134-M138 PolarHBondContact O-N 3.23Å
135	V	47.7	Very low	42.8	Very low	73 Å²	73	108.9 Å²	108.9	44%	0.442	55%	0.548	S	S	.	.	H	α-helix	trans	-65.5	-39.5	174.2	171.3	0	0	0	0	110.5	A131 G132 M138 F139	A131-V135 VanDerWaalsContact O-CB 3.28Å; A131-V135 WeakPolarHBondContact O-CB 3.45Å; A131-V135 WeakPolarHBondContact O-CG2 3.47Å; A131-V135 PolarHBondContact O-N 3.39Å; G132-V135 PolarHBondContact O-N 3.24Å; V135-M138 PolarHBondContact O-N 3.04Å; V135-F139 HydrophobicContact CG1-CD2 3.68Å; V135-F139 HydrophobicContact CG1-CE2 3.98Å; V135-F139 VanDerWaalsContact O-CB 3.28Å; V135-F139 WeakPolarHBondContact O-CB 3.34Å; V135-F139 WeakPolarHBondContact O-CD2 3.45Å; V135-F139 PolarHBondContact O-N 3.45Å
136	E	41.3	Very low	43.3	Very low	125 Å²	125	110 Å²	110	58%	0.584	56%	0.558	S	S	*	*	H	α-helix	trans	-66.2	-42.1	175.9	-172.4	-178.4	-172.8	0	0	111.7	G132 M138 R140	G132-E136 WeakPolarHBondContact O-CB 3.19Å; G132-E136 PolarHBondContact O-N 3.47Å; E136-M138 VanDerWaalsContact C-N 3.33Å; E136-M138 PolarHBondContact O-N 2.98Å; E136-R140 WeakPolarHBondContact O-CB 3.41Å; E136-R140 PolarHBondContact O-N 2.96Å
137	R	42.2	Very low	44.4	Very low	190 Å²	190	108.8 Å²	108.8	72%	0.717	56%	0.559	S	S	*	*	H	α-helix	trans	-68	-32.6	174.2	-131.2	174.8	-179.3	142	-0.9	112.6	I133 F134 R141	I133-R137 WeakPolarHBondContact O-CB 3.31Å; I133-R137 PolarHBondContact O-N 3.21Å; F134-R137 PolarHBondContact O-N 3.06Å; R137-R141 PolarHBondContact O-N 3.4Å
138	M	38.1	Very low	46.2	Very low	111 Å²	111	104 Å²	104	55%	0.547	54%	0.541	S	S	.	.	H	α-helix	trans	-76.4	-42.8	176.3	-167.5	179.2	157	0	0	111.1	F134 V135 E136 R141 T142	F134-M138 HydrophobicContact CE1-SD 4.41Å; F134-M138 VanDerWaalsContact O-CB 3.22Å; F134-M138 WeakPolarHBondContact O-CB 3.18Å; F134-M138 PolarHBondContact O-N 3.23Å; V135-M138 PolarHBondContact O-N 3.04Å; E136-M138 VanDerWaalsContact C-N 3.33Å; E136-M138 PolarHBondContact O-N 2.98Å; M138-R141 WeakPolarHBondContact O-CA 3.41Å; M138-R141 WeakPolarHBondContact O-CB 3.27Å; M138-R141 PolarHBondContact O-N 3.37Å; M138-T142 PolarHBondContact O-N 3.26Å; M138-T142 PolarHBondContact O-OG1 3.46Å
139	F	44.7	Very low	48.2	Very low	106 Å²	106	108 Å²	108	47%	0.465	56%	0.559	S	S	.	*	H	α-helix	trans	-62.7	-40.6	172.7	-100.8	-100	0	0	0	111.8	V135 R141 T142 Y143	V135-F139 HydrophobicContact CG1-CD2 3.68Å; V135-F139 HydrophobicContact CG1-CE2 3.98Å; V135-F139 VanDerWaalsContact O-CB 3.28Å; V135-F139 WeakPolarHBondContact O-CB 3.34Å; V135-F139 WeakPolarHBondContact O-CD2 3.45Å; V135-F139 PolarHBondContact O-N 3.45Å; F139-R141 PolarHBondContact O-N 3.08Å; F139-T142 PolarHBondContact O-N 2.75Å; F139-T142 VanDerWaalsContact O-N 3.16Å; F139-Y143 AromaticContact CD1-CD2 3.6Å; F139-Y143 HydrophobicContact CD1-CD2 3.6Å; F139-Y143 AromaticContact CD1-CE2 3.53Å; F139-Y143 HydrophobicContact CD1-CE2 3.53Å; F139-Y143 HydrophobicContact CE1-CD2 4.05Å; F139-Y143 AromaticContact CE1-CE2 3.46Å; F139-Y143 HydrophobicContact CE1-CE2 3.46Å; F139-Y143 VanDerWaalsContact CE1-CE2 3.46Å; F139-Y143 PolarHBondContact O-N 3.34Å
140	R	43	Very low	50.4	Low	171 Å²	171	106.9 Å²	106.9	65%	0.645	55%	0.547	S	S	*	.	H	α-helix	trans	-57.9	-28.7	170.5	-103	-172.6	176.4	-156.6	0.2	112.8	E136 T144	E136-R140 WeakPolarHBondContact O-CB 3.41Å; E136-R140 PolarHBondContact O-N 2.96Å; R140-T144 WeakPolarHBondContact O-CB 3.23Å; R140-T144 WeakPolarHBondContact O-CG2 3.22Å; R140-T144 PolarHBondContact O-OG1 2.73Å
141	R	38.2	Very low	52.8	Low	218 Å²	218	104 Å²	104	82%	0.823	54%	0.54	S	S	*	.	H	α-helix	trans	-85.6	-27.1	176.7	-96.4	-179.9	171.9	171.5	-2.8	113.6	R137 M138 F139	R137-R141 PolarHBondContact O-N 3.4Å; M138-R141 WeakPolarHBondContact O-CA 3.41Å; M138-R141 WeakPolarHBondContact O-CB 3.27Å; M138-R141 PolarHBondContact O-N 3.37Å; F139-R141 PolarHBondContact O-N 3.08Å
142	T	35.6	Very low	55.4	Low	93 Å²	93	106.6 Å²	106.6	57%	0.571	55%	0.55	S	S	*	*	H	α-helix	trans	-90	-29.4	-178.4	-37.5	0	0	0	0	112.8	M138 F139	M138-T142 PolarHBondContact O-N 3.26Å; M138-T142 PolarHBondContact O-OG1 3.46Å; F139-T142 PolarHBondContact O-N 2.75Å; F139-T142 VanDerWaalsContact O-N 3.16Å
143	Y	43	Very low	58	Low	139 Å²	139	107.2 Å²	107.2	55%	0.545	55%	0.552	S	S	.	*	S	Bend	trans	-91.6	-0.3	179.7	-87.9	-96.8	0	0	0	115.2	F139	F139-Y143 AromaticContact CD1-CD2 3.6Å; F139-Y143 HydrophobicContact CD1-CD2 3.6Å; F139-Y143 AromaticContact CD1-CE2 3.53Å; F139-Y143 HydrophobicContact CD1-CE2 3.53Å; F139-Y143 HydrophobicContact CE1-CD2 4.05Å; F139-Y143 AromaticContact CE1-CE2 3.46Å; F139-Y143 HydrophobicContact CE1-CE2 3.46Å; F139-Y143 VanDerWaalsContact CE1-CE2 3.46Å; F139-Y143 PolarHBondContact O-N 3.34Å
144	T	42.8	Very low	60.3	Low	107 Å²	107	103.3 Å²	103.3	66%	0.656	53%	0.532	S	S	*	.	S	Bend	trans	-94.8	18.9	-175.7	38.8	0	0	0	0	115.5	R140	R140-T144 WeakPolarHBondContact O-CB 3.23Å; R140-T144 WeakPolarHBondContact O-CG2 3.22Å; R140-T144 PolarHBondContact O-OG1 2.73Å
145	S	43.4	Very low	62.8	Low	96 Å²	96	100.6 Å²	100.6	67%	0.671	52%	0.524	S	S	*	.	S	Bend	trans	-114.8	3.6	-170.4	55.1	0	0	0	0	117.9
146	V	57.4	Low	65.1	Low	102 Å²	102	100.9 Å²	100.9	62%	0.618	52%	0.523	S	S	*	.			trans	-142.9	71.1	170.9	-162.6	0	0	0	0	110.7	T201	V146-T201 WeakPolarHBondContact O-CB 3.37Å; V146-T201 PolarHBondContact O-OG1 2.99Å; V146-T201 VanDerWaalsContact O-OG1 3.09Å
147	G	66.4	Low	67.6	Low	44 Å²	44	96.2 Å²	96.2	45%	0.454	50%	0.504	S	S	.	.			trans	-101.4	159.9	162.4	0	0	0	0	0	110.2	T149	G147-T149 PolarHBondContact O-N 2.83Å
148	P	81.1	Confident	70.1	Confident	38 Å²	38	88.2 Å²	88.2	25%	0.247	47%	0.474	C	S	.	.			trans	-59.1	133.3	174.2	26.1	-32.4	0	0	0	110.1	Y150 F185 M205	P148-Y150 HydrophobicContact CB-CE1 4.02Å; P148-Y150 HydrophobicContact CG-CE1 3.88Å; P148-Y150 HydrophobicContact CG-CE2 4.23Å; P148-Y150 WeakPolarHBondContact CG-OH 3.36Å; P148-F185 HydrophobicContact CG-CD1 3.65Å; P148-F185 HydrophobicContact CG-CD2 4.14Å; P148-F185 HydrophobicContact CG-CE1 3.8Å; P148-F185 HydrophobicContact CG-CE2 4.24Å; P148-F185 HydrophobicContact CG-CG 3.87Å; P148-F185 HydrophobicContact CG-CZ 4.09Å; P148-M205 HydrophobicContact CB-CE 4.47Å; P148-M205 HydrophobicContact CB-SD 4.42Å; P148-M205 HydrophobicContact CG-SD 4.29Å
149	T	87.2	Confident	72.7	Confident	142 Å²	142	90 Å²	90	87%	0.871	48%	0.479	S	S	*	.			trans	-83.6	113.9	172.5	49.4	0	0	0	0	109.2	G147	G147-T149 PolarHBondContact O-N 2.83Å
150	Y	92.1	Very high	75.2	Confident	54 Å²	54	88.3 Å²	88.3	21%	0.212	48%	0.475	C	S	.	.			trans	-87.6	142.7	-179.4	-61	-57	0	0	0	112.6	P148 V154 L155 F158 T182	P148-Y150 HydrophobicContact CB-CE1 4.02Å; P148-Y150 HydrophobicContact CG-CE1 3.88Å; P148-Y150 HydrophobicContact CG-CE2 4.23Å; P148-Y150 WeakPolarHBondContact CG-OH 3.36Å; Y150-V154 HydrophobicContact CD1-CG1 3.73Å; Y150-V154 HydrophobicContact CE1-CG1 4.45Å; Y150-V154 HydrophobicContact CG-CG1 3.89Å; Y150-L155 HydrophobicContact CD2-CD2 4.31Å; Y150-F158 HydrophobicContact CD1-CE2 4.4Å; Y150-F158 HydrophobicContact CD1-CZ 4.46Å; Y150-F158 AromaticContact CD2-CE2 3.58Å; Y150-F158 HydrophobicContact CD2-CE2 3.58Å; Y150-F158 HydrophobicContact CD2-CZ 4.29Å; Y150-F158 HydrophobicContact CE1-CE2 4.41Å; Y150-F158 HydrophobicContact CE1-CZ 4.2Å; Y150-F158 AromaticContact CE2-CE2 3.55Å; Y150-F158 HydrophobicContact CE2-CE2 3.55Å; Y150-F158 AromaticContact CE2-CZ 3.99Å; Y150-F158 HydrophobicContact CE2-CZ 3.99Å; Y150-F158 AromaticContact CG-CE2 3.99Å; Y150-F158 HydrophobicContact CG-CE2 3.99Å; Y150-F158 HydrophobicContact CG-CZ 4.49Å; Y150-F158 AromaticContact CZ-CE2 3.98Å; Y150-F158 AromaticContact CZ-CZ 3.92Å; Y150-T182 HydrophobicContact CD1-CG2 4.37Å; Y150-T182 HydrophobicContact CE1-CG2 3.85Å
151	S	93.9	Very high	77.6	Confident	57 Å²	57	80.1 Å²	80.1	40%	0.399	44%	0.444	S	S	.	.			trans	-66.9	158.9	170.9	75.1	0	0	0	0	111	A153 V154 L155	S151-A153 PolarHBondContact O-N 3.42Å; S151-V154 PolarHBondContact O-N 3.49Å; S151-V154 VanDerWaalsContact O-N 3.15Å; S151-V154 WeakPolarHBondContact OG-CG2 3.16Å; S151-V154 PolarHBondContact OG-N 2.81Å; S151-L155 WeakPolarHBondContact O-CG 3.42Å; S151-L155 PolarHBondContact O-N 3.39Å
152	T	95.3	Very high	80.4	Confident	106 Å²	106	72.1 Å²	72.1	65%	0.65	42%	0.417	S	S	*	.	H	α-helix	trans	-58.2	-32.1	175.1	-51.1	0	0	0	0	112.3	N156	T152-N156 WeakPolarHBondContact O-CB 3.17Å; T152-N156 VanDerWaalsContact O-CG 3.32Å; T152-N156 PolarHBondContact O-N 3.31Å; T152-N156 PolarHBondContact O-ND2 3.28Å
153	A	96.6	Very high	83.4	Confident	48 Å²	48	70.8 Å²	70.8	40%	0.397	41%	0.406	S	S	.	.	H	α-helix	trans	-64.4	-47	176.1	0	0	0	0	0	111.7	S151 N156 C157 A174	S151-A153 PolarHBondContact O-N 3.42Å; A153-N156 WeakPolarHBondContact O-CB 3.05Å; A153-N156 PolarHBondContact O-N 2.81Å; A153-C157 PolarHBondContact O-N 3.29Å; A153-C157 VanDerWaalsContact O-N 3.15Å; A153-C157 PolarHBondContact O-SG 3.25Å; A153-A174 HydrophobicContact CB-CB 3.89Å
154	V	96.1	Very high	86	Confident	4 Å²	4	65 Å²	65	2%	0.024	38%	0.383	C	S	.	.	H	α-helix	trans	-61.5	-45.9	175.8	171.7	0	0	0	0	111.2	Y150 S151 N156 C157 F158 L171 A174 A175 T182	Y150-V154 HydrophobicContact CD1-CG1 3.73Å; Y150-V154 HydrophobicContact CE1-CG1 4.45Å; Y150-V154 HydrophobicContact CG-CG1 3.89Å; S151-V154 PolarHBondContact O-N 3.49Å; S151-V154 VanDerWaalsContact O-N 3.15Å; S151-V154 WeakPolarHBondContact OG-CG2 3.16Å; S151-V154 PolarHBondContact OG-N 2.81Å; V154-N156 PolarHBondContact O-N 3.01Å; V154-C157 WeakPolarHBondContact O-CB 3.37Å; V154-C157 PolarHBondContact O-N 3.15Å; V154-F158 HydrophobicContact CG1-CD2 4.32Å; V154-F158 HydrophobicContact CG1-CE1 4.03Å; V154-F158 HydrophobicContact CG1-CE2 3.76Å; V154-F158 HydrophobicContact CG1-CZ 3.6Å; V154-F158 PolarHBondContact O-N 2.94Å; V154-L171 HydrophobicContact CG1-CD1 4.04Å; V154-A174 HydrophobicContact CG2-CB 4.07Å; V154-A174 VanDerWaalsContact CG2-O 3.26Å; V154-A174 WeakPolarHBondContact CG2-O 3.45Å; V154-A175 HydrophobicContact CG2-CB 4.04Å; V154-T182 HydrophobicContact CG1-CG2 3.81Å
155	L	93.7	Very high	88.6	Confident	89 Å²	89	62.9 Å²	62.9	47%	0.466	37%	0.372	S	S	.	.	H	α-helix	trans	-60.4	-33.5	177.6	-67.3	175.1	0	0	0	112.7	Y150 S151 F158	Y150-L155 HydrophobicContact CD2-CD2 4.31Å; S151-L155 WeakPolarHBondContact O-CG 3.42Å; S151-L155 PolarHBondContact O-N 3.39Å; L155-F158 HydrophobicContact CD2-CD2 4.21Å; L155-F158 PolarHBondContact O-N 3.46Å
156	N	94.9	Very high	91.2	Very high	79 Å²	79	58.6 Å²	58.6	42%	0.422	34%	0.342	S	S	.	.	H	α-helix	trans	-68.8	-38.4	174.1	-78.1	-32.3	0	0	0	112.2	T152 A153 V154 F158 K159	T152-N156 WeakPolarHBondContact O-CB 3.17Å; T152-N156 VanDerWaalsContact O-CG 3.32Å; T152-N156 PolarHBondContact O-N 3.31Å; T152-N156 PolarHBondContact O-ND2 3.28Å; A153-N156 WeakPolarHBondContact O-CB 3.05Å; A153-N156 PolarHBondContact O-N 2.81Å; V154-N156 PolarHBondContact O-N 3.01Å; N156-F158 VanDerWaalsContact C-N 3.33Å; N156-F158 PolarHBondContact O-N 3.41Å; N156-K159 WeakPolarHBondContact O-CB 3.42Å; N156-K159 PolarHBondContact O-N 2.98Å; N156-K159 PolarHBondContact OD1-NZ 3.5Å
157	C	94.7	Very high	93.1	Very high	26 Å²	26	56.2 Å²	56.2	18%	0.176	33%	0.326	C	S	.	.	H	α-helix	trans	-63.3	-37.9	174.3	-66.8	0	0	0	0	112.2	A153 V154 K159 N160 L171	A153-C157 PolarHBondContact O-N 3.29Å; A153-C157 VanDerWaalsContact O-N 3.15Å; A153-C157 PolarHBondContact O-SG 3.25Å; V154-C157 WeakPolarHBondContact O-CB 3.37Å; V154-C157 PolarHBondContact O-N 3.15Å; C157-K159 PolarHBondContact O-N 3.33Å; C157-K159 VanDerWaalsContact O-N 3.15Å; C157-N160 PolarHBondContact O-N 2.88Å; C157-N160 VanDerWaalsContact O-N 3.08Å; C157-L171 HydrophobicContact CB-CB 4.3Å; C157-L171 HydrophobicContact CB-CD1 3.74Å
158	F	93.8	Very high	94.7	Very high	22 Å²	22	54.2 Å²	54.2	10%	0.096	30%	0.304	C	S	.	.	H	α-helix	trans	-61.6	-21.9	180	-71	-21.1	0	0	0	115.1	Y150 V154 L155 N156 N160 L161 L171 T182 E186	Y150-F158 HydrophobicContact CD1-CE2 4.4Å; Y150-F158 HydrophobicContact CD1-CZ 4.46Å; Y150-F158 AromaticContact CD2-CE2 3.58Å; Y150-F158 HydrophobicContact CD2-CE2 3.58Å; Y150-F158 HydrophobicContact CD2-CZ 4.29Å; Y150-F158 HydrophobicContact CE1-CE2 4.41Å; Y150-F158 HydrophobicContact CE1-CZ 4.2Å; Y150-F158 AromaticContact CE2-CE2 3.55Å; Y150-F158 HydrophobicContact CE2-CE2 3.55Å; Y150-F158 AromaticContact CE2-CZ 3.99Å; Y150-F158 HydrophobicContact CE2-CZ 3.99Å; Y150-F158 AromaticContact CG-CE2 3.99Å; Y150-F158 HydrophobicContact CG-CE2 3.99Å; Y150-F158 HydrophobicContact CG-CZ 4.49Å; Y150-F158 AromaticContact CZ-CE2 3.98Å; Y150-F158 AromaticContact CZ-CZ 3.92Å; V154-F158 HydrophobicContact CG1-CD2 4.32Å; V154-F158 HydrophobicContact CG1-CE1 4.03Å; V154-F158 HydrophobicContact CG1-CE2 3.76Å; V154-F158 HydrophobicContact CG1-CZ 3.6Å; V154-F158 PolarHBondContact O-N 2.94Å; L155-F158 HydrophobicContact CD2-CD2 4.21Å; L155-F158 PolarHBondContact O-N 3.46Å; N156-F158 VanDerWaalsContact C-N 3.33Å; N156-F158 PolarHBondContact O-N 3.41Å; F158-N160 PolarHBondContact O-N 2.88Å; F158-N160 VanDerWaalsContact O-N 3.08Å; F158-L161 HydrophobicContact CD1-CD2 4.3Å; F158-L161 VanDerWaalsContact O-CB 3.3Å; F158-L161 WeakPolarHBondContact O-CB 3.26Å; F158-L161 PolarHBondContact O-N 3.43Å; F158-L171 HydrophobicContact CD1-CD1 4.47Å; F158-L171 HydrophobicContact CE1-CD1 4.17Å; F158-L171 HydrophobicContact CE1-CD2 4.48Å; F158-T182 HydrophobicContact CE1-CG2 3.68Å; F158-T182 HydrophobicContact CZ-CG2 3.45Å; F158-T182 VanDerWaalsContact CZ-CG2 3.45Å; F158-E186 HydrophobicContact CD1-CG 4.26Å; F158-E186 HydrophobicContact CD2-CG 4.22Å; F158-E186 HydrophobicContact CE1-CB 4.08Å; F158-E186 HydrophobicContact CE1-CG 4.01Å; F158-E186 HydrophobicContact CE2-CB 4.3Å; F158-E186 HydrophobicContact CE2-CG 3.97Å; F158-E186 HydrophobicContact CG-CG 4.36Å; F158-E186 HydrophobicContact CZ-CB 3.79Å; F158-E186 HydrophobicContact CZ-CG 3.85Å
159	K	93.5	Very high	95.5	Very high	149 Å²	149	52.9 Å²	52.9	65%	0.648	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.5	173.7	-66.1	173.4	177.8	164	0	112.8	N156 C157	N156-K159 WeakPolarHBondContact O-CB 3.42Å; N156-K159 PolarHBondContact O-N 2.98Å; N156-K159 PolarHBondContact OD1-NZ 3.5Å; C157-K159 PolarHBondContact O-N 3.33Å; C157-K159 VanDerWaalsContact O-N 3.15Å
160	N	95.8	Very high	96	Very high	70 Å²	70	47.9 Å²	47.9	37%	0.374	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	4.9	-179.1	-62.1	-23.2	0	0	0	113.1	C157 F158 D162 L163 F166	C157-N160 PolarHBondContact O-N 2.88Å; C157-N160 VanDerWaalsContact O-N 3.08Å; F158-N160 PolarHBondContact O-N 2.88Å; F158-N160 VanDerWaalsContact O-N 3.08Å; N160-D162 PolarHBondContact O-N 2.79Å; N160-D162 VanDerWaalsContact O-N 3.13Å; N160-L163 HydrophobicContact CB-CD1 4.33Å; N160-L163 WeakPolarHBondContact O-CB 3.41Å; N160-L163 PolarHBondContact O-N 3.38Å; N160-F166 HydrophobicContact CB-CD2 4.27Å; N160-F166 WeakPolarHBondContact O-CB 3.25Å
161	L	95.2	Very high	96.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.6	-170.4	-169.1	67.7	0	0	0	113.8	F158 F166 I183 E186 L187 Q233	F158-L161 HydrophobicContact CD1-CD2 4.3Å; F158-L161 VanDerWaalsContact O-CB 3.3Å; F158-L161 WeakPolarHBondContact O-CB 3.26Å; F158-L161 PolarHBondContact O-N 3.43Å; L161-F166 HydrophobicContact CD1-CD2 4.28Å; L161-F166 HydrophobicContact CD1-CE1 4.48Å; L161-F166 HydrophobicContact CD1-CE2 3.81Å; L161-F166 HydrophobicContact CD1-CZ 3.93Å; L161-I183 HydrophobicContact CD1-CG1 4.35Å; L161-E186 HydrophobicContact CD2-CB 4.24Å; L161-E186 HydrophobicContact CD2-CG 3.53Å; L161-L187 HydrophobicContact CD2-CD2 3.81Å; L161-L187 HydrophobicContact CD2-CG 4.47Å; L161-L187 HydrophobicContact CG-CD2 4.16Å; L161-Q233 HydrophobicContact CD1-CG 3.78Å; L161-Q233 PolarHBondContact O-NE2 2.72Å
162	D	96.9	Very high	96.6	Very high	49 Å²	49	43.3 Å²	43.3	26%	0.262	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-7.5	174.9	-63.2	-16.2	0	0	0	113.8	N160 R190 H236 L240	N160-D162 PolarHBondContact O-N 2.79Å; N160-D162 VanDerWaalsContact O-N 3.13Å; D162-R190 IonicContact OD1-CZ 2.79Å; D162-R190 IonicContact OD1-NH1 2.88Å; D162-R190 PolarHBondContact OD1-NH1 3.21Å; D162-R190 IonicContact OD1-NH2 2.86Å; D162-R190 PolarHBondContact OD1-NH2 3.22Å; D162-R190 IonicContact OD2-CZ 2.9Å; D162-R190 IonicContact OD2-NH1 3.66Å; D162-R190 IonicContact OD2-NH2 3.45Å; D162-R190 PolarHBondContact OD2-NH2 3.32Å; D162-H236 IonicContact OD1-CD2 3.93Å; D162-H236 IonicContact OD1-CE1 3.74Å; D162-H236 IonicContact OD1-NE2 2.92Å; D162-H236 PolarHBondContact OD1-NE2 3.05Å; D162-L240 HydrophobicContact CB-CD1 3.83Å
163	L	97.2	Very high	96.7	Very high	65 Å²	65	45.5 Å²	45.5	34%	0.34	24%	0.237	S	C	.	.	S	Bend	trans	-99.1	147.4	-168.4	-54.2	-177.6	0	0	0	110.7	N160 C165 F166 Q233	N160-L163 HydrophobicContact CB-CD1 4.33Å; N160-L163 WeakPolarHBondContact O-CB 3.41Å; N160-L163 PolarHBondContact O-N 3.38Å; L163-C165 PolarHBondContact O-N 3.32Å; L163-F166 VanDerWaalsContact O-CB 3.27Å; L163-F166 WeakPolarHBondContact O-CB 3.5Å; L163-F166 PolarHBondContact O-N 3.29Å; L163-F166 VanDerWaalsContact O-N 3.13Å; L163-Q233 PolarHBondContact O-NE2 3.11Å
164	W	97.9	Very high	96.8	Very high	18 Å²	18	44.6 Å²	44.6	7%	0.068	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-29	173.8	-156.5	-70.9	0	0	0	113.1	F166 F238 T375 F433 F481 T484 W485 H488	W164-F166 PolarHBondContact O-N 3.45Å; W164-F238 HydrophobicContact CE3-CE1 4.3Å; W164-F238 HydrophobicContact CH2-CD1 4.08Å; W164-F238 AromaticContact CH2-CE1 3.36Å; W164-F238 HydrophobicContact CH2-CE1 3.36Å; W164-F238 HydrophobicContact CH2-CZ 4.07Å; W164-F238 AromaticContact CZ2-CE1 3.83Å; W164-F238 HydrophobicContact CZ2-CE1 3.83Å; W164-F238 HydrophobicContact CZ2-CZ 4.36Å; W164-F238 AromaticContact CZ3-CD1 3.94Å; W164-F238 HydrophobicContact CZ3-CD1 3.94Å; W164-F238 AromaticContact CZ3-CE1 3.63Å; W164-F238 HydrophobicContact CZ3-CE1 3.63Å; W164-T375 WeakPolarHBondContact CZ2-OG1 3.42Å; W164-T375 PolarHBondContact NE1-O 2.93Å; W164-F433 HydrophobicContact CH2-CE1 4.14Å; W164-F433 HydrophobicContact CZ2-CE1 4.28Å; W164-F481 HydrophobicContact CH2-CD2 4.22Å; W164-F481 AromaticContact CH2-CE2 3.73Å; W164-F481 HydrophobicContact CH2-CE2 3.73Å; W164-F481 HydrophobicContact CH2-CZ 4.08Å; W164-F481 AromaticContact CZ3-CD2 3.57Å; W164-F481 HydrophobicContact CZ3-CD2 3.57Å; W164-F481 AromaticContact CZ3-CE2 3.38Å; W164-F481 HydrophobicContact CZ3-CE2 3.38Å; W164-F481 HydrophobicContact CZ3-CG 4.5Å; W164-F481 HydrophobicContact CZ3-CZ 4.19Å; W164-T484 HydrophobicContact CB-CG2 4.41Å; W164-T484 HydrophobicContact CD2-CG2 3.82Å; W164-T484 HydrophobicContact CE3-CG2 4.03Å; W164-T484 HydrophobicContact CG-CG2 3.99Å; W164-W485 HydrophobicContact CH2-CB 3.88Å; W164-W485 HydrophobicContact CZ2-CB 3.83Å; W164-H488 AromaticContact NE1-CD2 3.94Å
165	C	97.3	Very high	96.8	Very high	63 Å²	63	44.9 Å²	44.9	43%	0.426	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	10.3	178.6	61.5	0	0	0	0	113.6	L163 D167	L163-C165 PolarHBondContact O-N 3.32Å; C165-D167 PolarHBondContact O-N 2.98Å
166	F	98.1	Very high	97	Very high	5 Å²	5	47 Å²	47	2%	0.022	24%	0.243	C	C	.	.			trans	-56.1	131.9	171.9	-179	-102.2	0	0	0	110.6	N160 L161 L163 W164 V168 L171 I183 Q233	N160-F166 HydrophobicContact CB-CD2 4.27Å; N160-F166 WeakPolarHBondContact O-CB 3.25Å; L161-F166 HydrophobicContact CD1-CD2 4.28Å; L161-F166 HydrophobicContact CD1-CE1 4.48Å; L161-F166 HydrophobicContact CD1-CE2 3.81Å; L161-F166 HydrophobicContact CD1-CZ 3.93Å; L163-F166 VanDerWaalsContact O-CB 3.27Å; L163-F166 WeakPolarHBondContact O-CB 3.5Å; L163-F166 PolarHBondContact O-N 3.29Å; L163-F166 VanDerWaalsContact O-N 3.13Å; W164-F166 PolarHBondContact O-N 3.45Å; F166-V168 HydrophobicContact CD1-CB 4.44Å; F166-V168 HydrophobicContact CE1-CB 3.96Å; F166-V168 HydrophobicContact CE1-CG2 4.37Å; F166-L171 HydrophobicContact CE2-CB 4.43Å; F166-L171 HydrophobicContact CZ-CB 3.81Å; F166-L171 HydrophobicContact CZ-CD2 3.71Å; F166-L171 HydrophobicContact CZ-CG 4.33Å; F166-I183 HydrophobicContact CE1-CD1 3.73Å; F166-I183 HydrophobicContact CZ-CD1 3.9Å; F166-Q233 HydrophobicContact CD1-CB 4.27Å; F166-Q233 VanDerWaalsContact CD1-CD 3.44Å; F166-Q233 HydrophobicContact CD1-CG 3.55Å; F166-Q233 HydrophobicContact CE1-CB 4.29Å; F166-Q233 HydrophobicContact CE1-CG 3.85Å; F166-Q233 HydrophobicContact CG-CG 4.02Å
167	D	98.3	Very high	97.1	Very high	53 Å²	53	47.9 Å²	47.9	28%	0.283	25%	0.249	S	C	.	.			trans	-109.1	98.6	177.9	178.2	1	0	0	0	109.5	C165 F169 S170 L171	C165-D167 PolarHBondContact O-N 2.98Å; D167-F169 PolarHBondContact O-N 2.95Å; D167-F169 WeakPolarHBondContact OD1-CB 3.24Å; D167-F169 PolarHBondContact OD1-N 3.29Å; D167-S170 VanDerWaalsContact CG-OG 3.3Å; D167-S170 PolarHBondContact O-N 2.99Å; D167-S170 PolarHBondContact OD1-N 3.38Å; D167-S170 WeakPolarHBondContact OD2-CB 3.09Å; D167-S170 PolarHBondContact OD2-OG 2.85Å; D167-L171 PolarHBondContact O-N 3.42Å; D167-L171 VanDerWaalsContact O-N 3.11Å
168	V	98.6	Very high	97.3	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-59	-32.8	178.2	69.3	0	0	0	0	112.4	F166 L171 N172 A179 I183 I226 A229 D230 W384	F166-V168 HydrophobicContact CD1-CB 4.44Å; F166-V168 HydrophobicContact CE1-CB 3.96Å; F166-V168 HydrophobicContact CE1-CG2 4.37Å; V168-L171 PolarHBondContact O-N 3.3Å; V168-N172 WeakPolarHBondContact O-CB 3.28Å; V168-N172 PolarHBondContact O-N 3.14Å; V168-A179 HydrophobicContact CG2-CB 4.36Å; V168-I183 HydrophobicContact CG2-CD1 4.31Å; V168-I226 HydrophobicContact CG1-CG2 4Å; V168-I226 HydrophobicContact CG2-CG2 3.98Å; V168-A229 HydrophobicContact CG2-CB 3.86Å; V168-D230 HydrophobicContact CB-CB 4.33Å; V168-D230 HydrophobicContact CG1-CB 4.02Å; V168-D230 HydrophobicContact CG2-CB 4.29Å; V168-W384 HydrophobicContact CG1-CZ2 4.16Å
169	F	98.6	Very high	97.6	Very high	11 Å²	11	48.1 Å²	48.1	5%	0.048	25%	0.247	C	C	.	.	H	α-helix	trans	-71.5	-35.5	179.6	-60.8	-70.5	0	0	0	111.5	D167 N172 R173 I226 V380 R383 W384	D167-F169 PolarHBondContact O-N 2.95Å; D167-F169 WeakPolarHBondContact OD1-CB 3.24Å; D167-F169 PolarHBondContact OD1-N 3.29Å; F169-N172 PolarHBondContact O-N 2.77Å; F169-R173 WeakPolarHBondContact O-CG 3.45Å; F169-R173 PolarHBondContact O-N 3.02Å; F169-R173 VanDerWaalsContact O-N 3.14Å; F169-R173 PolarHBondContact O-NH1 3.3Å; F169-I226 HydrophobicContact CD1-CG2 3.83Å; F169-I226 HydrophobicContact CE1-CG2 3.82Å; F169-V380 HydrophobicContact CE2-CG1 4.17Å; F169-R383 VanDerWaalsContact CD1-NE 3.29Å; F169-R383 HydrophobicContact CE1-CG 4.27Å; F169-R383 VanDerWaalsContact CE1-NE 3.31Å; F169-R383 HydrophobicContact CE2-CB 4.23Å; F169-R383 HydrophobicContact CE2-CG 3.9Å; F169-R383 VanDerWaalsContact CG-CZ 3.46Å; F169-R383 HydrophobicContact CZ-CB 4.42Å; F169-R383 HydrophobicContact CZ-CG 3.73Å; F169-W384 HydrophobicContact CE1-CH2 4.03Å; F169-W384 AromaticContact CE1-CZ2 3.95Å; F169-W384 HydrophobicContact CE1-CZ2 3.95Å; F169-W384 HydrophobicContact CE1-CZ3 4.45Å; F169-W384 HydrophobicContact CE2-CD2 4.4Å; F169-W384 AromaticContact CE2-CE2 3.94Å; F169-W384 HydrophobicContact CE2-CZ2 4.32Å; F169-W384 AromaticContact CE2-NE1 3.89Å; F169-W384 AromaticContact CZ-CD2 3.7Å; F169-W384 HydrophobicContact CZ-CD2 3.7Å; F169-W384 AromaticContact CZ-CE2 3.41Å; F169-W384 VanDerWaalsContact CZ-CE2 3.41Å; F169-W384 HydrophobicContact CZ-CE3 4.14Å; F169-W384 HydrophobicContact CZ-CG 4.21Å; F169-W384 AromaticContact CZ-CH2 3.97Å; F169-W384 HydrophobicContact CZ-CH2 3.97Å; F169-W384 AromaticContact CZ-CZ2 3.57Å; F169-W384 HydrophobicContact CZ-CZ2 3.57Å; F169-W384 HydrophobicContact CZ-CZ3 4.26Å; F169-W384 AromaticContact CZ-NE1 3.85Å
170	S	98.3	Very high	97.8	Very high	37 Å²	37	41 Å²	41	26%	0.259	22%	0.216	S	C	.	.	H	α-helix	trans	-68	-40.9	174.1	-71.2	0	0	0	0	111.6	D167 R173 A174	D167-S170 VanDerWaalsContact CG-OG 3.3Å; D167-S170 PolarHBondContact O-N 2.99Å; D167-S170 PolarHBondContact OD1-N 3.38Å; D167-S170 WeakPolarHBondContact OD2-CB 3.09Å; D167-S170 PolarHBondContact OD2-OG 2.85Å; S170-R173 PolarHBondContact O-N 3.46Å; S170-R173 PolarHBondContact OG-NH2 3.43Å; S170-A174 PolarHBondContact O-N 2.96Å; S170-A174 VanDerWaalsContact O-N 3.1Å
171	L	98.5	Very high	97.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-45.6	170.5	179.1	68.7	0	0	0	111.1	V154 C157 F158 F166 D167 V168 R173 A174 A175 T182 I183	V154-L171 HydrophobicContact CG1-CD1 4.04Å; C157-L171 HydrophobicContact CB-CB 4.3Å; C157-L171 HydrophobicContact CB-CD1 3.74Å; F158-L171 HydrophobicContact CD1-CD1 4.47Å; F158-L171 HydrophobicContact CE1-CD1 4.17Å; F158-L171 HydrophobicContact CE1-CD2 4.48Å; F166-L171 HydrophobicContact CE2-CB 4.43Å; F166-L171 HydrophobicContact CZ-CB 3.81Å; F166-L171 HydrophobicContact CZ-CD2 3.71Å; F166-L171 HydrophobicContact CZ-CG 4.33Å; D167-L171 PolarHBondContact O-N 3.42Å; D167-L171 VanDerWaalsContact O-N 3.11Å; V168-L171 PolarHBondContact O-N 3.3Å; L171-R173 VanDerWaalsContact C-N 3.28Å; L171-R173 PolarHBondContact O-N 2.97Å; L171-A174 CarbonylContact O-C 3.58Å; L171-A174 PolarHBondContact O-N 3.18Å; L171-A175 VanDerWaalsContact O-CB 3.29Å; L171-A175 WeakPolarHBondContact O-CB 3.49Å; L171-A175 PolarHBondContact O-N 3.32Å; L171-T182 HydrophobicContact CD1-CG2 4.12Å; L171-T182 HydrophobicContact CD2-CG2 4.23Å; L171-I183 HydrophobicContact CD2-CD1 3.71Å; L171-I183 HydrophobicContact CD2-CG1 3.33Å
172	N	98.6	Very high	98.1	Very high	14 Å²	14	41 Å²	41	8%	0.075	21%	0.212	C	C	.	.	H	α-helix	trans	-56.8	-42.6	-178.1	-165	61.8	0	0	0	112.2	V168 F169 A175 D176 D177 A179 Q225 I226	V168-N172 WeakPolarHBondContact O-CB 3.28Å; V168-N172 PolarHBondContact O-N 3.14Å; F169-N172 PolarHBondContact O-N 2.77Å; N172-A175 PolarHBondContact O-N 3.47Å; N172-D176 PolarHBondContact O-N 3.22Å; N172-D177 PolarHBondContact ND2-OD1 2.99Å; N172-D177 PolarHBondContact O-N 3.09Å; N172-D177 WeakPolarHBondContact OD1-CA 3.33Å; N172-D177 PolarHBondContact OD1-OD1 3.41Å; N172-A179 HydrophobicContact CB-CB 3.84Å; N172-A179 VanDerWaalsContact OD1-CB 3.27Å; N172-A179 WeakPolarHBondContact OD1-CB 3.44Å; N172-A179 PolarHBondContact OD1-N 3.42Å; N172-Q225 PolarHBondContact OD1-NE2 2.86Å; N172-I226 HydrophobicContact CB-CD1 4.49Å; N172-I226 HydrophobicContact CB-CG1 4.49Å; N172-I226 WeakPolarHBondContact ND2-CD1 3.34Å
173	R	98.3	Very high	98.2	Very high	153 Å²	153	38.7 Å²	38.7	58%	0.577	20%	0.2	S	C	*	.	H	α-helix	trans	-65	-43.3	174	-68	-170.2	-55.9	-77	6.9	112.2	F169 S170 L171 A175 D176	F169-R173 WeakPolarHBondContact O-CG 3.45Å; F169-R173 PolarHBondContact O-N 3.02Å; F169-R173 VanDerWaalsContact O-N 3.14Å; F169-R173 PolarHBondContact O-NH1 3.3Å; S170-R173 PolarHBondContact O-N 3.46Å; S170-R173 PolarHBondContact OG-NH2 3.43Å; L171-R173 VanDerWaalsContact C-N 3.28Å; L171-R173 PolarHBondContact O-N 2.97Å; R173-A175 VanDerWaalsContact C-N 3.29Å; R173-A175 PolarHBondContact O-N 2.82Å; R173-D176 PolarHBondContact O-N 3.4Å
174	A	98.1	Very high	98.2	Very high	28 Å²	28	36 Å²	36	23%	0.231	19%	0.185	C	C	.	.	H	α-helix	trans	-67.7	-29.5	-179.9	0	0	0	0	0	113.3	A153 V154 S170 L171	A153-A174 HydrophobicContact CB-CB 3.89Å; V154-A174 HydrophobicContact CG2-CB 4.07Å; V154-A174 VanDerWaalsContact CG2-O 3.26Å; V154-A174 WeakPolarHBondContact CG2-O 3.45Å; S170-A174 PolarHBondContact O-N 2.96Å; S170-A174 VanDerWaalsContact O-N 3.1Å; L171-A174 CarbonylContact O-C 3.58Å; L171-A174 PolarHBondContact O-N 3.18Å
175	A	97.4	Very high	98.3	Very high	11 Å²	11	35.7 Å²	35.7	9%	0.091	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	7.7	-179.1	0	0	0	0	0	113.6	V154 L171 N172 R173 H178 T182	V154-A175 HydrophobicContact CG2-CB 4.04Å; L171-A175 VanDerWaalsContact O-CB 3.29Å; L171-A175 WeakPolarHBondContact O-CB 3.49Å; L171-A175 PolarHBondContact O-N 3.32Å; N172-A175 PolarHBondContact O-N 3.47Å; R173-A175 VanDerWaalsContact C-N 3.29Å; R173-A175 PolarHBondContact O-N 2.82Å; A175-H178 HydrophobicContact CB-CB 4.49Å; A175-H178 WeakPolarHBondContact O-CB 3.48Å; A175-H178 PolarHBondContact O-N 2.79Å; A175-T182 HydrophobicContact CB-CG2 4.45Å
176	D	97.4	Very high	98.3	Very high	132 Å²	132	34.4 Å²	34.4	71%	0.706	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	51.2	-179.9	-160.8	33.2	0	0	0	113.4	N172 R173 H178	N172-D176 PolarHBondContact O-N 3.22Å; R173-D176 PolarHBondContact O-N 3.4Å; D176-H178 VanDerWaalsContact C-N 3.33Å; D176-H178 PolarHBondContact O-CD2 3.13Å; D176-H178 PolarHBondContact O-N 3.26Å
177	D	97.8	Very high	98.3	Very high	99 Å²	99	34.2 Å²	34.2	53%	0.529	17%	0.172	S	C	.	.	S	Bend	trans	68.2	24.8	-178.9	-155.4	33.6	0	0	0	115.6	N172 Q225	N172-D177 PolarHBondContact ND2-OD1 2.99Å; N172-D177 PolarHBondContact O-N 3.09Å; N172-D177 WeakPolarHBondContact OD1-CA 3.33Å; N172-D177 PolarHBondContact OD1-OD1 3.41Å; D177-Q225 PolarHBondContact O-NE2 3.22Å; D177-Q225 PolarHBondContact OD1-NE2 3.26Å
178	H	98.3	Very high	98.3	Very high	52 Å²	52	32 Å²	32	24%	0.241	16%	0.16	C	C	.	.			trans	-121.7	45.8	-177.9	-67.1	-76.4	0	0	0	113.2	A175 D176 R181 T182 E212	A175-H178 HydrophobicContact CB-CB 4.49Å; A175-H178 WeakPolarHBondContact O-CB 3.48Å; A175-H178 PolarHBondContact O-N 2.79Å; D176-H178 VanDerWaalsContact C-N 3.33Å; D176-H178 PolarHBondContact O-CD2 3.13Å; D176-H178 PolarHBondContact O-N 3.26Å; H178-R181 HydrophobicContact CB-CG 3.88Å; H178-R181 VanDerWaalsContact CB-NE 3.25Å; H178-R181 VanDerWaalsContact CD2-CZ 3.44Å; H178-R181 PolarHBondContact CD2-NH2 3.14Å; H178-R181 VanDerWaalsContact CE1-CZ 3.48Å; H178-R181 PolarHBondContact CE1-NH1 3.23Å; H178-R181 VanDerWaalsContact CE1-NH1 3.33Å; H178-R181 PolarHBondContact ND1-NE 3.05Å; H178-R181 PolarHBondContact ND1-NH1 3.33Å; H178-R181 PolarHBondContact NE2-NH2 2.73Å; H178-R181 VanDerWaalsContact NE2-NH2 3.15Å; H178-T182 WeakPolarHBondContact O-CB 3.43Å; H178-T182 PolarHBondContact O-N 2.9Å; H178-T182 PolarHBondContact O-OG1 3.45Å; H178-E212 WeakPolarHBondContact CA-OE1 3.49Å; H178-E212 IonicContact CE1-OE2 3.65Å; H178-E212 IonicContact CG-OE2 2.72Å; H178-E212 IonicContact ND1-OE2 3.7Å; H178-E212 PolarHBondContact ND1-OE2 2.86Å
179	A	98.6	Very high	98.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.7	-44.8	-179.4	0	0	0	0	0	112.4	V168 N172 T182 I183 A229	V168-A179 HydrophobicContact CG2-CB 4.36Å; N172-A179 HydrophobicContact CB-CB 3.84Å; N172-A179 VanDerWaalsContact OD1-CB 3.27Å; N172-A179 WeakPolarHBondContact OD1-CB 3.44Å; N172-A179 PolarHBondContact OD1-N 3.42Å; A179-T182 PolarHBondContact O-N 3.18Å; A179-I183 WeakPolarHBondContact O-CB 3.49Å; A179-I183 WeakPolarHBondContact O-CG1 3.26Å; A179-I183 PolarHBondContact O-N 2.8Å; A179-A229 HydrophobicContact CB-CB 3.83Å
180	L	98.9	Very high	98	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-53.9	-175.2	178.9	60.8	0	0	0	112.1	T182 I183 V184 L211 E212 Y215 Q225 A228 A229 A261	L180-T182 PolarHBondContact O-N 3.16Å; L180-I183 PolarHBondContact O-N 3.13Å; L180-V184 HydrophobicContact CD1-CG2 3.83Å; L180-V184 HydrophobicContact CG-CG2 4.46Å; L180-V184 VanDerWaalsContact O-CG2 3.31Å; L180-V184 WeakPolarHBondContact O-CG2 3.43Å; L180-V184 PolarHBondContact O-N 3.43Å; L180-L211 HydrophobicContact CD2-CD2 3.9Å; L180-L211 HydrophobicContact CD2-CG 4.14Å; L180-E212 HydrophobicContact CB-CG 3.91Å; L180-E212 HydrophobicContact CD2-CG 4.1Å; L180-E212 HydrophobicContact CG-CG 4.36Å; L180-E212 PolarHBondContact N-OE1 3.48Å; L180-Y215 HydrophobicContact CD2-CD2 3.67Å; L180-Y215 HydrophobicContact CD2-CE2 3.71Å; L180-Q225 HydrophobicContact CB-CB 4.01Å; L180-Q225 HydrophobicContact CD2-CB 4.11Å; L180-Q225 VanDerWaalsContact N-OE1 3.1Å; L180-A228 HydrophobicContact CD1-CB 3.85Å; L180-A228 HydrophobicContact CD2-CB 4.05Å; L180-A229 HydrophobicContact CB-CB 4.17Å; L180-A229 HydrophobicContact CD1-CB 4.43Å; L180-A261 HydrophobicContact CD1-CB 4.19Å
181	R	98.2	Very high	97.8	Very high	63 Å²	63	39.4 Å²	39.4	24%	0.238	19%	0.19	C	C	.	.	H	α-helix	trans	-60.4	-38.2	179.4	76.3	-178.7	-173	-166.3	-13.4	111.4	H178 F185 L208 D209 E212	H178-R181 HydrophobicContact CB-CG 3.88Å; H178-R181 VanDerWaalsContact CB-NE 3.25Å; H178-R181 VanDerWaalsContact CD2-CZ 3.44Å; H178-R181 PolarHBondContact CD2-NH2 3.14Å; H178-R181 VanDerWaalsContact CE1-CZ 3.48Å; H178-R181 PolarHBondContact CE1-NH1 3.23Å; H178-R181 VanDerWaalsContact CE1-NH1 3.33Å; H178-R181 PolarHBondContact ND1-NE 3.05Å; H178-R181 PolarHBondContact ND1-NH1 3.33Å; H178-R181 PolarHBondContact NE2-NH2 2.73Å; H178-R181 VanDerWaalsContact NE2-NH2 3.15Å; R181-F185 VanDerWaalsContact O-CB 3.23Å; R181-F185 WeakPolarHBondContact O-CB 3.5Å; R181-F185 PolarHBondContact O-N 2.93Å; R181-L208 HydrophobicContact CB-CB 3.66Å; R181-L208 HydrophobicContact CB-CD1 4.18Å; R181-L208 HydrophobicContact CB-CG 4.41Å; R181-D209 WeakPolarHBondContact CD-OD1 3.3Å; R181-D209 IonicContact CZ-OD1 3.32Å; R181-D209 IonicContact NH1-OD1 3.34Å; R181-D209 PolarHBondContact NH1-OD1 3Å; R181-E212 PolarHBondContact N-OE1 2.99Å
182	T	98.5	Very high	97.7	Very high	8 Å²	8	43.3 Å²	43.3	5%	0.049	21%	0.211	C	C	.	.	H	α-helix	trans	-66.9	-45.7	-177.9	-60.5	0	0	0	0	111	Y150 V154 F158 L171 A175 H178 A179 L180 E186	Y150-T182 HydrophobicContact CD1-CG2 4.37Å; Y150-T182 HydrophobicContact CE1-CG2 3.85Å; V154-T182 HydrophobicContact CG1-CG2 3.81Å; F158-T182 HydrophobicContact CE1-CG2 3.68Å; F158-T182 HydrophobicContact CZ-CG2 3.45Å; F158-T182 VanDerWaalsContact CZ-CG2 3.45Å; L171-T182 HydrophobicContact CD1-CG2 4.12Å; L171-T182 HydrophobicContact CD2-CG2 4.23Å; A175-T182 HydrophobicContact CB-CG2 4.45Å; H178-T182 WeakPolarHBondContact O-CB 3.43Å; H178-T182 PolarHBondContact O-N 2.9Å; H178-T182 PolarHBondContact O-OG1 3.45Å; A179-T182 PolarHBondContact O-N 3.18Å; L180-T182 PolarHBondContact O-N 3.16Å; T182-E186 VanDerWaalsContact O-CB 3.26Å; T182-E186 WeakPolarHBondContact O-CB 3.47Å; T182-E186 PolarHBondContact O-N 3.48Å; T182-E186 VanDerWaalsContact O-N 3.14Å
183	I	98.8	Very high	97.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-67.9	-48.4	177.5	-69.1	-175.3	0	0	0	110.9	L161 F166 V168 L171 A179 L180 F185 E186 L187 A229 T232 Q233	L161-I183 HydrophobicContact CD1-CG1 4.35Å; F166-I183 HydrophobicContact CE1-CD1 3.73Å; F166-I183 HydrophobicContact CZ-CD1 3.9Å; V168-I183 HydrophobicContact CG2-CD1 4.31Å; L171-I183 HydrophobicContact CD2-CD1 3.71Å; L171-I183 HydrophobicContact CD2-CG1 3.33Å; A179-I183 WeakPolarHBondContact O-CB 3.49Å; A179-I183 WeakPolarHBondContact O-CG1 3.26Å; A179-I183 PolarHBondContact O-N 2.8Å; L180-I183 PolarHBondContact O-N 3.13Å; I183-F185 PolarHBondContact O-N 2.93Å; I183-E186 PolarHBondContact O-N 3.5Å; I183-L187 HydrophobicContact CG2-CD1 3.57Å; I183-L187 HydrophobicContact CG2-CG 4.01Å; I183-L187 WeakPolarHBondContact O-CB 3.23Å; I183-L187 VanDerWaalsContact O-CG 3.27Å; I183-L187 WeakPolarHBondContact O-CG 3.37Å; I183-L187 PolarHBondContact O-N 3.45Å; I183-A229 HydrophobicContact CD1-CB 3.93Å; I183-T232 HydrophobicContact CG2-CG2 4.22Å; I183-Q233 HydrophobicContact CD1-CB 4Å; I183-Q233 HydrophobicContact CG2-CB 4.2Å
184	V	98.8	Very high	97.6	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-62.1	-47.1	-177.1	176.8	0	0	0	0	110.6	L180 E186 L187 L188 L208 T232 A261	L180-V184 HydrophobicContact CD1-CG2 3.83Å; L180-V184 HydrophobicContact CG-CG2 4.46Å; L180-V184 VanDerWaalsContact O-CG2 3.31Å; L180-V184 WeakPolarHBondContact O-CG2 3.43Å; L180-V184 PolarHBondContact O-N 3.43Å; V184-E186 VanDerWaalsContact C-N 3.34Å; V184-E186 PolarHBondContact O-N 3.45Å; V184-L187 PolarHBondContact O-N 2.86Å; V184-L188 HydrophobicContact CG1-CD1 3.95Å; V184-L188 HydrophobicContact CG1-CG 4.2Å; V184-L188 WeakPolarHBondContact O-CB 3.46Å; V184-L188 VanDerWaalsContact O-CG 3.26Å; V184-L188 WeakPolarHBondContact O-CG 3.45Å; V184-L188 PolarHBondContact O-N 3.13Å; V184-L208 HydrophobicContact CB-CD1 4.34Å; V184-L208 HydrophobicContact CB-CD2 3.78Å; V184-L208 HydrophobicContact CG1-CD1 4.35Å; V184-L208 HydrophobicContact CG1-CD2 3.69Å; V184-L208 HydrophobicContact CG2-CD2 4.22Å; V184-T232 HydrophobicContact CG2-CG2 4.21Å; V184-A261 HydrophobicContact CG2-CB 3.64Å
185	F	98.6	Very high	97.4	Very high	13 Å²	13	38.9 Å²	38.9	6%	0.057	20%	0.201	C	C	.	.	H	α-helix	trans	-59.8	-45.7	178.1	-167.3	-75.2	0	0	0	111.6	P148 R181 I183 T189 I194 T201 L204 M205 L208	P148-F185 HydrophobicContact CG-CD1 3.65Å; P148-F185 HydrophobicContact CG-CD2 4.14Å; P148-F185 HydrophobicContact CG-CE1 3.8Å; P148-F185 HydrophobicContact CG-CE2 4.24Å; P148-F185 HydrophobicContact CG-CG 3.87Å; P148-F185 HydrophobicContact CG-CZ 4.09Å; R181-F185 VanDerWaalsContact O-CB 3.23Å; R181-F185 WeakPolarHBondContact O-CB 3.5Å; R181-F185 PolarHBondContact O-N 2.93Å; I183-F185 PolarHBondContact O-N 2.93Å; F185-T189 WeakPolarHBondContact CE1-OG1 3.29Å; F185-T189 WeakPolarHBondContact O-CB 3.39Å; F185-T189 PolarHBondContact O-N 3.44Å; F185-T189 PolarHBondContact O-OG1 3.13Å; F185-I194 HydrophobicContact CE1-CD1 4.17Å; F185-I194 HydrophobicContact CE2-CD1 4.25Å; F185-I194 HydrophobicContact CZ-CD1 4Å; F185-T201 HydrophobicContact CE2-CG2 4.47Å; F185-T201 HydrophobicContact CZ-CG2 4.33Å; F185-L204 HydrophobicContact CD2-CD2 3.68Å; F185-L204 HydrophobicContact CD2-CG 4.21Å; F185-L204 HydrophobicContact CE2-CD2 3.92Å; F185-L204 HydrophobicContact CG-CD2 4.5Å; F185-M205 HydrophobicContact CD2-SD 3.72Å; F185-M205 HydrophobicContact CE2-CG 4.45Å; F185-M205 HydrophobicContact CE2-SD 4.05Å; F185-L208 HydrophobicContact CB-CD1 4.28Å
186	E	97.9	Very high	97.4	Very high	36 Å²	36	42.8 Å²	42.8	17%	0.168	21%	0.213	C	C	.	.	H	α-helix	trans	-64.6	-44.5	179.7	-176.5	58.8	-157.1	0	0	111.8	F158 L161 T182 I183 V184 T189 R190	F158-E186 HydrophobicContact CD1-CG 4.26Å; F158-E186 HydrophobicContact CD2-CG 4.22Å; F158-E186 HydrophobicContact CE1-CB 4.08Å; F158-E186 HydrophobicContact CE1-CG 4.01Å; F158-E186 HydrophobicContact CE2-CB 4.3Å; F158-E186 HydrophobicContact CE2-CG 3.97Å; F158-E186 HydrophobicContact CG-CG 4.36Å; F158-E186 HydrophobicContact CZ-CB 3.79Å; F158-E186 HydrophobicContact CZ-CG 3.85Å; L161-E186 HydrophobicContact CD2-CB 4.24Å; L161-E186 HydrophobicContact CD2-CG 3.53Å; T182-E186 VanDerWaalsContact O-CB 3.26Å; T182-E186 WeakPolarHBondContact O-CB 3.47Å; T182-E186 PolarHBondContact O-N 3.48Å; T182-E186 VanDerWaalsContact O-N 3.14Å; I183-E186 PolarHBondContact O-N 3.5Å; V184-E186 VanDerWaalsContact C-N 3.34Å; V184-E186 PolarHBondContact O-N 3.45Å; E186-T189 WeakPolarHBondContact O-CB 3.48Å; E186-T189 PolarHBondContact O-N 3.03Å; E186-R190 HydrophobicContact CG-CG 4.28Å; E186-R190 WeakPolarHBondContact O-CB 3.16Å; E186-R190 VanDerWaalsContact O-CG 3.29Å; E186-R190 WeakPolarHBondContact O-CG 3.47Å; E186-R190 PolarHBondContact O-N 3.4Å; E186-R190 VanDerWaalsContact OE1-CD 3.24Å; E186-R190 WeakPolarHBondContact OE1-CD 3.39Å; E186-R190 VanDerWaalsContact OE1-CG 3.24Å; E186-R190 WeakPolarHBondContact OE1-CG 3.33Å
187	L	98.1	Very high	97.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.4	-42.9	179.6	-68.2	-178.8	0	0	0	112.3	L161 I183 V184 T189 R190 H191 T232 H236	L161-L187 HydrophobicContact CD2-CD2 3.81Å; L161-L187 HydrophobicContact CD2-CG 4.47Å; L161-L187 HydrophobicContact CG-CD2 4.16Å; I183-L187 HydrophobicContact CG2-CD1 3.57Å; I183-L187 HydrophobicContact CG2-CG 4.01Å; I183-L187 WeakPolarHBondContact O-CB 3.23Å; I183-L187 VanDerWaalsContact O-CG 3.27Å; I183-L187 WeakPolarHBondContact O-CG 3.37Å; I183-L187 PolarHBondContact O-N 3.45Å; V184-L187 PolarHBondContact O-N 2.86Å; L187-T189 PolarHBondContact O-N 3.37Å; L187-R190 PolarHBondContact O-N 3.48Å; L187-H191 WeakPolarHBondContact O-CB 3.4Å; L187-H191 PolarHBondContact O-CD2 3.42Å; L187-H191 VanDerWaalsContact O-CD2 3.26Å; L187-H191 PolarHBondContact O-N 2.89Å; L187-T232 HydrophobicContact CD1-CG2 3.88Å; L187-H236 HydrophobicContact CD1-CB 3.86Å; L187-H236 HydrophobicContact CD2-CB 4.02Å; L187-H236 VanDerWaalsContact CD2-CG 3.48Å
188	L	98.3	Very high	97.4	Very high	6 Å²	6	38 Å²	38	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-62.6	-31.9	174.2	-65	-177.2	0	0	0	111.7	V184 N192 L193 I194 I199 L204 L254 V257	V184-L188 HydrophobicContact CG1-CD1 3.95Å; V184-L188 HydrophobicContact CG1-CG 4.2Å; V184-L188 WeakPolarHBondContact O-CB 3.46Å; V184-L188 VanDerWaalsContact O-CG 3.26Å; V184-L188 WeakPolarHBondContact O-CG 3.45Å; V184-L188 PolarHBondContact O-N 3.13Å; L188-N192 PolarHBondContact O-N 3.26Å; L188-L193 HydrophobicContact CB-CB 4.48Å; L188-L193 HydrophobicContact CD2-CB 4.08Å; L188-L193 HydrophobicContact CD2-CD1 3.63Å; L188-L193 HydrophobicContact CD2-CG 4.49Å; L188-L193 PolarHBondContact O-N 3.08Å; L188-I194 HydrophobicContact CB-CD1 4.14Å; L188-I194 HydrophobicContact CB-CG1 3.7Å; L188-I194 PolarHBondContact O-N 3.28Å; L188-I199 HydrophobicContact CD1-CD1 4.43Å; L188-L204 HydrophobicContact CD1-CD1 3.93Å; L188-L204 HydrophobicContact CD1-CD2 3.97Å; L188-L254 HydrophobicContact CD2-CD1 3.61Å; L188-V257 HydrophobicContact CD2-CG1 4.08Å
189	T	96.1	Very high	97.4	Very high	63 Å²	63	35.6 Å²	35.6	39%	0.387	17%	0.171	S	C	.	.	H	α-helix	trans	-70.5	-49.5	174.3	-60.2	0	0	0	0	111.5	F185 E186 L187 H191 N192 I194	F185-T189 WeakPolarHBondContact CE1-OG1 3.29Å; F185-T189 WeakPolarHBondContact O-CB 3.39Å; F185-T189 PolarHBondContact O-N 3.44Å; F185-T189 PolarHBondContact O-OG1 3.13Å; E186-T189 WeakPolarHBondContact O-CB 3.48Å; E186-T189 PolarHBondContact O-N 3.03Å; L187-T189 PolarHBondContact O-N 3.37Å; T189-H191 VanDerWaalsContact C-N 3.35Å; T189-H191 PolarHBondContact O-N 3.02Å; T189-N192 WeakPolarHBondContact O-CA 3.43Å; T189-N192 PolarHBondContact O-N 2.79Å; T189-I194 WeakPolarHBondContact OG1-CD1 3.39Å
190	R	94.4	Very high	97.2	Very high	100 Å²	100	37.1 Å²	37.1	38%	0.377	18%	0.18	S	C	.	.	H	α-helix	trans	-65.8	-35	-176.8	-71.7	-175.3	64.6	-168.2	-7.5	113.4	D162 E186 L187 N192	D162-R190 IonicContact OD1-CZ 2.79Å; D162-R190 IonicContact OD1-NH1 2.88Å; D162-R190 PolarHBondContact OD1-NH1 3.21Å; D162-R190 IonicContact OD1-NH2 2.86Å; D162-R190 PolarHBondContact OD1-NH2 3.22Å; D162-R190 IonicContact OD2-CZ 2.9Å; D162-R190 IonicContact OD2-NH1 3.66Å; D162-R190 IonicContact OD2-NH2 3.45Å; D162-R190 PolarHBondContact OD2-NH2 3.32Å; E186-R190 HydrophobicContact CG-CG 4.28Å; E186-R190 WeakPolarHBondContact O-CB 3.16Å; E186-R190 VanDerWaalsContact O-CG 3.29Å; E186-R190 WeakPolarHBondContact O-CG 3.47Å; E186-R190 PolarHBondContact O-N 3.4Å; E186-R190 VanDerWaalsContact OE1-CD 3.24Å; E186-R190 WeakPolarHBondContact OE1-CD 3.39Å; E186-R190 VanDerWaalsContact OE1-CG 3.24Å; E186-R190 WeakPolarHBondContact OE1-CG 3.33Å; L187-R190 PolarHBondContact O-N 3.48Å; R190-N192 PolarHBondContact O-N 3.07Å
191	H	93.9	Very high	97	Very high	42 Å²	42	38.7 Å²	38.7	19%	0.194	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	4.4	172.1	-70.1	-65.6	0	0	0	113.5	L187 T189 L193 H236	L187-H191 WeakPolarHBondContact O-CB 3.4Å; L187-H191 PolarHBondContact O-CD2 3.42Å; L187-H191 VanDerWaalsContact O-CD2 3.26Å; L187-H191 PolarHBondContact O-N 2.89Å; T189-H191 VanDerWaalsContact C-N 3.35Å; T189-H191 PolarHBondContact O-N 3.02Å; H191-L193 HydrophobicContact CB-CD1 3.76Å; H191-L193 HydrophobicContact CB-CD2 4.34Å; H191-L193 HydrophobicContact CB-CG 3.64Å; H191-L193 PolarHBondContact O-N 3.49Å; H191-L193 VanDerWaalsContact O-N 3.13Å; H191-H236 AromaticContact CD2-ND1 3.93Å; H191-H236 AromaticContact CE1-CE1 3.79Å; H191-H236 AromaticContact CE1-ND1 3.62Å; H191-H236 AromaticContact NE2-CE1 3.31Å; H191-H236 PolarHBondContact NE2-CE1 3.13Å; H191-H236 VanDerWaalsContact NE2-CE1 3.31Å; H191-H236 AromaticContact NE2-ND1 2.86Å; H191-H236 PolarHBondContact NE2-ND1 2.78Å
192	N	96.2	Very high	96.9	Very high	83 Å²	83	40 Å²	40	44%	0.444	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	22.4	-179.2	-166.1	50.9	0	0	0	114.4	L188 T189 R190 S195 R196	L188-N192 PolarHBondContact O-N 3.26Å; T189-N192 WeakPolarHBondContact O-CA 3.43Å; T189-N192 PolarHBondContact O-N 2.79Å; R190-N192 PolarHBondContact O-N 3.07Å; N192-S195 PolarHBondContact O-N 2.98Å; N192-S195 WeakPolarHBondContact OD1-CB 3.5Å; N192-R196 VanDerWaalsContact O-CB 3.3Å; N192-R196 WeakPolarHBondContact O-CB 3.48Å; N192-R196 PolarHBondContact O-N 3.27Å
193	L	98	Very high	96.8	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-73.2	-34.5	-174.7	-59.6	172.6	0	0	0	112	L188 H191 S195 R196 F197 E250 V253 L254	L188-L193 HydrophobicContact CB-CB 4.48Å; L188-L193 HydrophobicContact CD2-CB 4.08Å; L188-L193 HydrophobicContact CD2-CD1 3.63Å; L188-L193 HydrophobicContact CD2-CG 4.49Å; L188-L193 PolarHBondContact O-N 3.08Å; H191-L193 HydrophobicContact CB-CD1 3.76Å; H191-L193 HydrophobicContact CB-CD2 4.34Å; H191-L193 HydrophobicContact CB-CG 3.64Å; H191-L193 PolarHBondContact O-N 3.49Å; H191-L193 VanDerWaalsContact O-N 3.13Å; L193-S195 VanDerWaalsContact C-N 3.32Å; L193-S195 PolarHBondContact O-N 3.48Å; L193-R196 PolarHBondContact O-N 3.47Å; L193-F197 HydrophobicContact CB-CD2 4.26Å; L193-F197 HydrophobicContact CD2-CD2 4.29Å; L193-F197 HydrophobicContact CD2-CE2 3.81Å; L193-F197 WeakPolarHBondContact O-CD2 3.37Å; L193-F197 PolarHBondContact O-N 3.44Å; L193-E250 HydrophobicContact CD2-CB 4.33Å; L193-V253 HydrophobicContact CD1-CG1 4.11Å; L193-L254 HydrophobicContact CD1-CB 4.28Å; L193-L254 HydrophobicContact CD1-CD1 4.34Å; L193-L254 HydrophobicContact CD2-CB 4.49Å
194	I	96.5	Very high	96.8	Very high	23 Å²	23	42.3 Å²	42.3	12%	0.118	21%	0.214	C	C	.	.	H	α-helix	trans	-57	-48.7	174.6	-59.7	-179.2	0	0	0	110	F185 L188 T189 K198 I199 T201 L204	F185-I194 HydrophobicContact CE1-CD1 4.17Å; F185-I194 HydrophobicContact CE2-CD1 4.25Å; F185-I194 HydrophobicContact CZ-CD1 4Å; L188-I194 HydrophobicContact CB-CD1 4.14Å; L188-I194 HydrophobicContact CB-CG1 3.7Å; L188-I194 PolarHBondContact O-N 3.28Å; T189-I194 WeakPolarHBondContact OG1-CD1 3.39Å; I194-K198 CarbonylContact O-C 3.55Å; I194-K198 VanDerWaalsContact O-CA 3.29Å; I194-K198 WeakPolarHBondContact O-CA 3.24Å; I194-K198 PolarHBondContact O-N 3.48Å; I194-I199 HydrophobicContact CG2-CB 4.31Å; I194-I199 WeakPolarHBondContact CG2-O 3.45Å; I194-I199 PolarHBondContact O-N 2.92Å; I194-T201 HydrophobicContact CG2-CG2 4.17Å; I194-L204 HydrophobicContact CD1-CD2 3.82Å; I194-L204 HydrophobicContact CG1-CD2 4.18Å
195	S	95.3	Very high	96.7	Very high	76 Å²	76	44.2 Å²	44.2	53%	0.531	22%	0.223	S	C	.	.	H	α-helix	trans	-70.1	-43.4	178.7	-173.2	0	0	0	0	111.8	N192 L193 F197 K198	N192-S195 PolarHBondContact O-N 2.98Å; N192-S195 WeakPolarHBondContact OD1-CB 3.5Å; L193-S195 VanDerWaalsContact C-N 3.32Å; L193-S195 PolarHBondContact O-N 3.48Å; S195-F197 PolarHBondContact O-N 2.85Å; S195-K198 PolarHBondContact O-N 3.45Å
196	R	97.1	Very high	96.7	Very high	92 Å²	92	45.6 Å²	45.6	35%	0.347	24%	0.235	S	C	.	.	H	α-helix	trans	-62.4	-42.1	-176.3	171.3	57.1	-174.8	75.2	9.7	112.7	N192 L193 E250 E319	N192-R196 VanDerWaalsContact O-CB 3.3Å; N192-R196 WeakPolarHBondContact O-CB 3.48Å; N192-R196 PolarHBondContact O-N 3.27Å; L193-R196 PolarHBondContact O-N 3.47Å; R196-E250 WeakPolarHBondContact CD-OE1 3.33Å; R196-E250 WeakPolarHBondContact CD-OE2 3.46Å; R196-E250 HydrophobicContact CG-CB 4.28Å; R196-E250 HydrophobicContact CG-CG 4.45Å; R196-E250 WeakPolarHBondContact CG-OE1 3.21Å; R196-E250 IonicContact CZ-OE2 3.22Å; R196-E250 IonicContact NE-OE1 2.7Å; R196-E250 IonicContact NE-OE2 3.4Å; R196-E250 PolarHBondContact NE-OE2 2.89Å; R196-E250 IonicContact NH2-OE2 3.84Å; R196-E319 IonicContact CZ-OE1 3.56Å; R196-E319 IonicContact NH1-OE1 3.3Å; R196-E319 PolarHBondContact NH1-OE1 3.33Å; R196-E319 IonicContact NH2-OE1 3.63Å; R196-E319 PolarHBondContact NH2-OE1 2.94Å
197	F	98.1	Very high	96.7	Very high	7 Å²	7	44 Å²	44	3%	0.031	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	5.6	-178.3	-63.3	-66.2	0	0	0	113.2	L193 S195 I199 E250 I251 L254 L315	L193-F197 HydrophobicContact CB-CD2 4.26Å; L193-F197 HydrophobicContact CD2-CD2 4.29Å; L193-F197 HydrophobicContact CD2-CE2 3.81Å; L193-F197 WeakPolarHBondContact O-CD2 3.37Å; L193-F197 PolarHBondContact O-N 3.44Å; S195-F197 PolarHBondContact O-N 2.85Å; F197-I199 HydrophobicContact CB-CD1 4.44Å; F197-I199 HydrophobicContact CB-CG1 4.04Å; F197-I199 PolarHBondContact O-N 3.3Å; F197-E250 HydrophobicContact CE2-CB 4Å; F197-E250 WeakPolarHBondContact CE2-O 3.32Å; F197-E250 HydrophobicContact CZ-CB 3.8Å; F197-I251 HydrophobicContact CD1-CD1 4.47Å; F197-I251 HydrophobicContact CE1-CB 4.45Å; F197-I251 HydrophobicContact CE1-CD1 3.77Å; F197-I251 HydrophobicContact CZ-CB 4.06Å; F197-I251 HydrophobicContact CZ-CD1 3.88Å; F197-L254 HydrophobicContact CB-CD2 4.46Å; F197-L254 HydrophobicContact CD2-CB 4.39Å; F197-L254 HydrophobicContact CD2-CD2 3.53Å; F197-L254 HydrophobicContact CD2-CG 4.45Å; F197-L254 HydrophobicContact CE2-CB 3.95Å; F197-L254 HydrophobicContact CE2-CD2 3.79Å; F197-L254 HydrophobicContact CE2-CG 4.46Å; F197-L254 HydrophobicContact CG-CD2 3.93Å; F197-L254 HydrophobicContact CZ-CD2 4.4Å; F197-L315 HydrophobicContact CB-CD2 3.82Å; F197-L315 HydrophobicContact CD1-CD2 3.22Å; F197-L315 HydrophobicContact CE1-CD2 3.99Å; F197-L315 HydrophobicContact CG-CD2 3.76Å
198	K	97.1	Very high	96.8	Very high	123 Å²	123	44 Å²	44	54%	0.535	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	43.4	178.7	-54.2	176.9	-176.8	176.5	0	111.6	I194 S195 P200 N314	I194-K198 CarbonylContact O-C 3.55Å; I194-K198 VanDerWaalsContact O-CA 3.29Å; I194-K198 WeakPolarHBondContact O-CA 3.24Å; I194-K198 PolarHBondContact O-N 3.48Å; S195-K198 PolarHBondContact O-N 3.45Å; K198-P200 VanDerWaalsContact O-CD 3.27Å; K198-P200 WeakPolarHBondContact O-CD 3.34Å; K198-N314 HydrophobicContact CB-CB 4.01Å; K198-N314 PolarHBondContact O-ND2 3.42Å
199	I	97.6	Very high	96.8	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.015	24%	0.241	C	C	.	.			trans	-68.3	118.3	179.7	-57.8	178.3	0	0	0	107.8	L188 I194 F197 T201 L204 L254 I311	L188-I199 HydrophobicContact CD1-CD1 4.43Å; I194-I199 HydrophobicContact CG2-CB 4.31Å; I194-I199 WeakPolarHBondContact CG2-O 3.45Å; I194-I199 PolarHBondContact O-N 2.92Å; F197-I199 HydrophobicContact CB-CD1 4.44Å; F197-I199 HydrophobicContact CB-CG1 4.04Å; F197-I199 PolarHBondContact O-N 3.3Å; I199-T201 PolarHBondContact O-N 3.01Å; I199-L204 HydrophobicContact CG2-CB 3.96Å; I199-L204 HydrophobicContact CG2-CD2 4.37Å; I199-L254 HydrophobicContact CD1-CD1 4.32Å; I199-I311 HydrophobicContact CG2-CB 4.02Å
200	P	95.9	Very high	96.9	Very high	31 Å²	31	44.9 Å²	44.9	20%	0.201	23%	0.233	C	C	.	.			trans	-63.9	123.3	176.4	-19.9	33.8	0	0	0	109.9	K198 V202 F203 L204 I313	K198-P200 VanDerWaalsContact O-CD 3.27Å; K198-P200 WeakPolarHBondContact O-CD 3.34Å; P200-V202 VanDerWaalsContact C-N 3.26Å; P200-V202 PolarHBondContact O-N 2.76Å; P200-F203 HydrophobicContact CB-CB 4.16Å; P200-F203 HydrophobicContact CB-CD1 4.43Å; P200-F203 HydrophobicContact CB-CD2 3.95Å; P200-F203 HydrophobicContact CB-CE2 4.48Å; P200-F203 HydrophobicContact CB-CG 3.91Å; P200-F203 HydrophobicContact CG-CD2 3.74Å; P200-F203 HydrophobicContact CG-CE2 4.16Å; P200-F203 HydrophobicContact CG-CG 4.22Å; P200-F203 PolarHBondContact O-N 3.1Å; P200-F203 VanDerWaalsContact O-N 3.1Å; P200-L204 PolarHBondContact O-N 3.16Å; P200-I313 HydrophobicContact CG-CG2 4.02Å
201	T	94.6	Very high	97.1	Very high	34 Å²	34	40.1 Å²	40.1	21%	0.209	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-32.7	-174.2	54.5	0	0	0	0	112.8	V146 F185 I194 I199 L204 M205	V146-T201 WeakPolarHBondContact O-CB 3.37Å; V146-T201 PolarHBondContact O-OG1 2.99Å; V146-T201 VanDerWaalsContact O-OG1 3.09Å; F185-T201 HydrophobicContact CE2-CG2 4.47Å; F185-T201 HydrophobicContact CZ-CG2 4.33Å; I194-T201 HydrophobicContact CG2-CG2 4.17Å; I199-T201 PolarHBondContact O-N 3.01Å; T201-L204 PolarHBondContact O-N 2.99Å; T201-M205 WeakPolarHBondContact O-CG 3.47Å; T201-M205 PolarHBondContact O-N 3.44Å
202	V	95.4	Very high	97.3	Very high	89 Å²	89	38.9 Å²	38.9	54%	0.539	21%	0.209	S	C	.	.	H	α-helix	trans	-61.6	-47.8	174	179.2	0	0	0	0	110.5	P200 L204 M205 S206	P200-V202 VanDerWaalsContact C-N 3.26Å; P200-V202 PolarHBondContact O-N 2.76Å; V202-L204 VanDerWaalsContact C-N 3.31Å; V202-L204 PolarHBondContact O-N 3.16Å; V202-M205 PolarHBondContact O-N 2.88Å; V202-S206 PolarHBondContact O-N 3.1Å; V202-S206 PolarHBondContact O-OG 2.55Å
203	F	97	Very high	97.5	Very high	56 Å²	56	39.9 Å²	39.9	25%	0.246	22%	0.218	C	C	.	.	H	α-helix	trans	-66.3	-37.6	179.4	-63.8	-0.1	0	0	0	111.2	P200 S206 F207 D307 E308 I313	P200-F203 HydrophobicContact CB-CB 4.16Å; P200-F203 HydrophobicContact CB-CD1 4.43Å; P200-F203 HydrophobicContact CB-CD2 3.95Å; P200-F203 HydrophobicContact CB-CE2 4.48Å; P200-F203 HydrophobicContact CB-CG 3.91Å; P200-F203 HydrophobicContact CG-CD2 3.74Å; P200-F203 HydrophobicContact CG-CE2 4.16Å; P200-F203 HydrophobicContact CG-CG 4.22Å; P200-F203 PolarHBondContact O-N 3.1Å; P200-F203 VanDerWaalsContact O-N 3.1Å; F203-S206 PolarHBondContact O-N 2.88Å; F203-F207 WeakPolarHBondContact O-CB 3.24Å; F203-F207 PolarHBondContact O-N 3.27Å; F203-D307 WeakPolarHBondContact CD2-O 3.33Å; F203-D307 VanDerWaalsContact CE2-O 3.24Å; F203-D307 WeakPolarHBondContact CE2-O 3.43Å; F203-E308 VanDerWaalsContact CA-O 3.32Å; F203-E308 WeakPolarHBondContact CA-O 3.41Å; F203-E308 WeakPolarHBondContact CB-O 3.4Å; F203-E308 WeakPolarHBondContact CD1-O 3.43Å; F203-I313 HydrophobicContact CD2-CG2 4.25Å; F203-I313 HydrophobicContact CE2-CG2 4.24Å
204	L	98.1	Very high	97.5	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-46.5	175.1	-178.1	59.9	0	0	0	111.9	F185 L188 I194 I199 P200 T201 V202 F207 L208 I311	F185-L204 HydrophobicContact CD2-CD2 3.68Å; F185-L204 HydrophobicContact CD2-CG 4.21Å; F185-L204 HydrophobicContact CE2-CD2 3.92Å; F185-L204 HydrophobicContact CG-CD2 4.5Å; L188-L204 HydrophobicContact CD1-CD1 3.93Å; L188-L204 HydrophobicContact CD1-CD2 3.97Å; I194-L204 HydrophobicContact CD1-CD2 3.82Å; I194-L204 HydrophobicContact CG1-CD2 4.18Å; I199-L204 HydrophobicContact CG2-CB 3.96Å; I199-L204 HydrophobicContact CG2-CD2 4.37Å; P200-L204 PolarHBondContact O-N 3.16Å; T201-L204 PolarHBondContact O-N 2.99Å; V202-L204 VanDerWaalsContact C-N 3.31Å; V202-L204 PolarHBondContact O-N 3.16Å; L204-F207 PolarHBondContact O-N 2.8Å; L204-L208 HydrophobicContact CD1-CD1 3.84Å; L204-L208 HydrophobicContact CD1-CG 4.01Å; L204-L208 HydrophobicContact CG-CD1 3.85Å; L204-L208 HydrophobicContact CG-CG 4.41Å; L204-L208 WeakPolarHBondContact O-CB 3.41Å; L204-L208 WeakPolarHBondContact O-CG 3.21Å; L204-L208 PolarHBondContact O-N 3.33Å; L204-I311 HydrophobicContact CB-CG2 4.32Å; L204-I311 HydrophobicContact CD1-CD1 4.44Å; L204-I311 HydrophobicContact CD1-CG2 4.12Å
205	M	97.2	Very high	97.6	Very high	47 Å²	47	38.9 Å²	38.9	23%	0.232	21%	0.214	C	C	.	.	H	α-helix	trans	-63.3	-47.8	177.5	-70.4	-59.6	-58.1	0	0	111.5	P148 F185 T201 V202 F207 L208 D209	P148-M205 HydrophobicContact CB-CE 4.47Å; P148-M205 HydrophobicContact CB-SD 4.42Å; P148-M205 HydrophobicContact CG-SD 4.29Å; F185-M205 HydrophobicContact CD2-SD 3.72Å; F185-M205 HydrophobicContact CE2-CG 4.45Å; F185-M205 HydrophobicContact CE2-SD 4.05Å; T201-M205 WeakPolarHBondContact O-CG 3.47Å; T201-M205 PolarHBondContact O-N 3.44Å; V202-M205 PolarHBondContact O-N 2.88Å; M205-F207 VanDerWaalsContact C-N 3.34Å; M205-F207 PolarHBondContact O-N 2.84Å; M205-L208 PolarHBondContact O-N 3.39Å; M205-D209 PolarHBondContact O-N 3.41Å
206	S	97.8	Very high	97.8	Very high	43 Å²	43	37.1 Å²	37.1	30%	0.301	21%	0.208	S	C	.	.	H	α-helix	trans	-59.9	-42.9	177.5	-63.6	0	0	0	0	112.3	V202 F203 A210 L309	V202-S206 PolarHBondContact O-N 3.1Å; V202-S206 PolarHBondContact O-OG 2.55Å; F203-S206 PolarHBondContact O-N 2.88Å; S206-A210 WeakPolarHBondContact O-CB 3.26Å; S206-A210 PolarHBondContact O-N 2.88Å; S206-A210 VanDerWaalsContact O-N 3.08Å; S206-L309 VanDerWaalsContact C-CD2 3.45Å; S206-L309 WeakPolarHBondContact O-CD2 3.31Å
207	F	98.8	Very high	97.8	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.009	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-46.8	174.6	171.9	-95.7	0	0	0	111.9	F203 L204 M205 A210 L211 F258 I262 V300 L303 M304 I311	F203-F207 WeakPolarHBondContact O-CB 3.24Å; F203-F207 PolarHBondContact O-N 3.27Å; L204-F207 PolarHBondContact O-N 2.8Å; M205-F207 VanDerWaalsContact C-N 3.34Å; M205-F207 PolarHBondContact O-N 2.84Å; F207-A210 PolarHBondContact O-N 2.83Å; F207-L211 HydrophobicContact CE1-CB 4.47Å; F207-L211 HydrophobicContact CE1-CD2 3.98Å; F207-L211 HydrophobicContact CZ-CD1 4.14Å; F207-L211 HydrophobicContact CZ-CD2 4.32Å; F207-L211 WeakPolarHBondContact O-CB 3.48Å; F207-L211 PolarHBondContact O-N 3.11Å; F207-F258 AromaticContact CE1-CE2 3.74Å; F207-F258 HydrophobicContact CE1-CE2 3.74Å; F207-F258 HydrophobicContact CE2-CE2 4.36Å; F207-F258 AromaticContact CZ-CE2 3.46Å; F207-F258 HydrophobicContact CZ-CE2 3.46Å; F207-F258 VanDerWaalsContact CZ-CE2 3.46Å; F207-F258 AromaticContact CZ-CZ 3.91Å; F207-F258 HydrophobicContact CZ-CZ 3.91Å; F207-I262 HydrophobicContact CZ-CG2 4.4Å; F207-V300 HydrophobicContact CE2-CG1 3.86Å; F207-V300 HydrophobicContact CZ-CG1 3.81Å; F207-L303 HydrophobicContact CD2-CD2 4.16Å; F207-L303 HydrophobicContact CE2-CD2 4.09Å; F207-M304 HydrophobicContact CD2-CG 3.85Å; F207-M304 HydrophobicContact CD2-SD 4.47Å; F207-M304 HydrophobicContact CE2-CG 3.65Å; F207-M304 HydrophobicContact CE2-SD 4.01Å; F207-I311 HydrophobicContact CB-CG2 3.53Å; F207-I311 HydrophobicContact CD1-CD1 4.02Å; F207-I311 HydrophobicContact CD1-CG2 4.09Å; F207-I311 HydrophobicContact CE1-CD1 4.07Å; F207-I311 HydrophobicContact CG-CD1 4.48Å; F207-I311 HydrophobicContact CG-CG2 3.79Å
208	L	98.8	Very high	97.9	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-67.8	-37.3	-178.2	-69.1	171.3	0	0	0	112.5	R181 V184 F185 L204 M205 L211 E212	R181-L208 HydrophobicContact CB-CB 3.66Å; R181-L208 HydrophobicContact CB-CD1 4.18Å; R181-L208 HydrophobicContact CB-CG 4.41Å; V184-L208 HydrophobicContact CB-CD1 4.34Å; V184-L208 HydrophobicContact CB-CD2 3.78Å; V184-L208 HydrophobicContact CG1-CD1 4.35Å; V184-L208 HydrophobicContact CG1-CD2 3.69Å; V184-L208 HydrophobicContact CG2-CD2 4.22Å; F185-L208 HydrophobicContact CB-CD1 4.28Å; L204-L208 HydrophobicContact CD1-CD1 3.84Å; L204-L208 HydrophobicContact CD1-CG 4.01Å; L204-L208 HydrophobicContact CG-CD1 3.85Å; L204-L208 HydrophobicContact CG-CG 4.41Å; L204-L208 WeakPolarHBondContact O-CB 3.41Å; L204-L208 WeakPolarHBondContact O-CG 3.21Å; L204-L208 PolarHBondContact O-N 3.33Å; M205-L208 PolarHBondContact O-N 3.39Å; L208-L211 HydrophobicContact CD2-CD2 4.3Å; L208-L211 WeakPolarHBondContact O-CB 3.34Å; L208-L211 PolarHBondContact O-N 3.1Å; L208-E212 PolarHBondContact O-N 3.27Å
209	D	98.4	Very high	97.9	Very high	61 Å²	61	44.5 Å²	44.5	33%	0.326	24%	0.241	S	C	.	.	H	α-helix	trans	-64.5	-40.8	173.9	-71.6	-26.1	0	0	0	111.1	R181 M205 T213	R181-D209 WeakPolarHBondContact CD-OD1 3.3Å; R181-D209 IonicContact CZ-OD1 3.32Å; R181-D209 IonicContact NH1-OD1 3.34Å; R181-D209 PolarHBondContact NH1-OD1 3Å; M205-D209 PolarHBondContact O-N 3.41Å; D209-T213 WeakPolarHBondContact O-CB 3.32Å; D209-T213 PolarHBondContact O-N 3.41Å; D209-T213 PolarHBondContact O-OG1 3.15Å
210	A	98.8	Very high	98	Very high	25 Å²	25	45 Å²	45	21%	0.207	24%	0.243	C	C	.	.	H	α-helix	trans	-67.1	-37.3	173.9	0	0	0	0	0	112.2	S206 F207 T213 G214 L303 L309	S206-A210 WeakPolarHBondContact O-CB 3.26Å; S206-A210 PolarHBondContact O-N 2.88Å; S206-A210 VanDerWaalsContact O-N 3.08Å; F207-A210 PolarHBondContact O-N 2.83Å; A210-T213 WeakPolarHBondContact O-CB 3.43Å; A210-T213 PolarHBondContact O-N 2.85Å; A210-G214 PolarHBondContact O-N 3.2Å; A210-L303 HydrophobicContact CB-CD1 4.22Å; A210-L303 HydrophobicContact CB-CD2 3.9Å; A210-L309 HydrophobicContact CB-CD1 4.34Å
211	L	98.9	Very high	98.1	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.7	-50.3	177.1	-168.7	71.1	0	0	0	111	L180 F207 L208 T213 G214 Y215 A261 I262 Y265 V300	L180-L211 HydrophobicContact CD2-CD2 3.9Å; L180-L211 HydrophobicContact CD2-CG 4.14Å; F207-L211 HydrophobicContact CE1-CB 4.47Å; F207-L211 HydrophobicContact CE1-CD2 3.98Å; F207-L211 HydrophobicContact CZ-CD1 4.14Å; F207-L211 HydrophobicContact CZ-CD2 4.32Å; F207-L211 WeakPolarHBondContact O-CB 3.48Å; F207-L211 PolarHBondContact O-N 3.11Å; L208-L211 HydrophobicContact CD2-CD2 4.3Å; L208-L211 WeakPolarHBondContact O-CB 3.34Å; L208-L211 PolarHBondContact O-N 3.1Å; L211-T213 VanDerWaalsContact C-N 3.28Å; L211-T213 PolarHBondContact O-N 3.1Å; L211-G214 PolarHBondContact O-N 3.01Å; L211-Y215 HydrophobicContact CD1-CE2 4.38Å; L211-Y215 HydrophobicContact CG-CD2 4.29Å; L211-Y215 HydrophobicContact CG-CE2 4.14Å; L211-Y215 WeakPolarHBondContact O-CD2 3.26Å; L211-Y215 PolarHBondContact O-N 3.31Å; L211-Y215 VanDerWaalsContact O-N 3.09Å; L211-A261 HydrophobicContact CD2-CB 4.39Å; L211-I262 HydrophobicContact CD1-CB 4.49Å; L211-I262 HydrophobicContact CD1-CG2 3.91Å; L211-I262 HydrophobicContact CD2-CG2 4.18Å; L211-Y265 HydrophobicContact CD1-CD2 3.47Å; L211-Y265 VanDerWaalsContact CD1-CD2 3.47Å; L211-Y265 HydrophobicContact CD1-CE2 3.96Å; L211-Y265 HydrophobicContact CD1-CG 4.12Å; L211-Y265 HydrophobicContact CG-CD2 4.28Å; L211-Y265 WeakPolarHBondContact O-CE2 3.27Å; L211-V300 HydrophobicContact CD1-CG1 4.49Å; L211-V300 HydrophobicContact CD1-CG2 3.91Å
212	E	98.8	Very high	98.3	Very high	16 Å²	16	43.8 Å²	43.8	8%	0.075	24%	0.235	C	C	.	.	H	α-helix	trans	-60	-38.8	175	-75.9	-176.3	160.9	0	0	112	H178 L180 R181 L208 G214 Y215 G216 Q225	H178-E212 WeakPolarHBondContact CA-OE1 3.49Å; H178-E212 IonicContact CE1-OE2 3.65Å; H178-E212 IonicContact CG-OE2 2.72Å; H178-E212 IonicContact ND1-OE2 3.7Å; H178-E212 PolarHBondContact ND1-OE2 2.86Å; L180-E212 HydrophobicContact CB-CG 3.91Å; L180-E212 HydrophobicContact CD2-CG 4.1Å; L180-E212 HydrophobicContact CG-CG 4.36Å; L180-E212 PolarHBondContact N-OE1 3.48Å; R181-E212 PolarHBondContact N-OE1 2.99Å; L208-E212 PolarHBondContact O-N 3.27Å; E212-G214 PolarHBondContact O-N 3.16Å; E212-Y215 WeakPolarHBondContact O-CB 3.35Å; E212-Y215 PolarHBondContact O-N 2.78Å; E212-G216 PolarHBondContact O-N 3.46Å; E212-Q225 HydrophobicContact CG-CB 4.16Å; E212-Q225 HydrophobicContact CG-CG 4.46Å
213	T	98.8	Very high	98.5	Very high	104 Å²	104	40.9 Å²	40.9	64%	0.638	22%	0.215	S	C	*	.	H	α-helix	trans	-59.5	-45.1	175.8	-61.4	0	0	0	0	111.9	D209 A210 L211 G216 K217	D209-T213 WeakPolarHBondContact O-CB 3.32Å; D209-T213 PolarHBondContact O-N 3.41Å; D209-T213 PolarHBondContact O-OG1 3.15Å; A210-T213 WeakPolarHBondContact O-CB 3.43Å; A210-T213 PolarHBondContact O-N 2.85Å; L211-T213 VanDerWaalsContact C-N 3.28Å; L211-T213 PolarHBondContact O-N 3.1Å; T213-G216 PolarHBondContact O-N 3.28Å; T213-G216 VanDerWaalsContact O-N 3.13Å; T213-K217 PolarHBondContact O-N 3.02Å
214	G	98.8	Very high	98.6	Very high	4 Å²	4	39.5 Å²	39.5	4%	0.041	21%	0.21	C	C	.	.	H	α-helix	trans	-69.2	-33.7	178	0	0	0	0	0	113.5	A210 L211 E212 G216 K217 Y265 E266	A210-G214 PolarHBondContact O-N 3.2Å; L211-G214 PolarHBondContact O-N 3.01Å; E212-G214 PolarHBondContact O-N 3.16Å; G214-G216 VanDerWaalsContact C-N 3.26Å; G214-G216 PolarHBondContact O-N 2.94Å; G214-K217 WeakPolarHBondContact O-CB 3.39Å; G214-K217 PolarHBondContact O-N 3.46Å; G214-Y265 VanDerWaalsContact CA-CE2 3.41Å; G214-E266 WeakPolarHBondContact O-CA 3.4Å
215	Y	98.9	Very high	98.6	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-34.3	168	-88.1	-74.3	0	0	0	112.7	L180 L211 E212 K217 Q225 A228 A261 D264 Y265	L180-Y215 HydrophobicContact CD2-CD2 3.67Å; L180-Y215 HydrophobicContact CD2-CE2 3.71Å; L211-Y215 HydrophobicContact CD1-CE2 4.38Å; L211-Y215 HydrophobicContact CG-CD2 4.29Å; L211-Y215 HydrophobicContact CG-CE2 4.14Å; L211-Y215 WeakPolarHBondContact O-CD2 3.26Å; L211-Y215 PolarHBondContact O-N 3.31Å; L211-Y215 VanDerWaalsContact O-N 3.09Å; E212-Y215 WeakPolarHBondContact O-CB 3.35Å; E212-Y215 PolarHBondContact O-N 2.78Å; Y215-K217 VanDerWaalsContact C-N 3.3Å; Y215-K217 PolarHBondContact O-N 3.5Å; Y215-Q225 HydrophobicContact CG-CB 4.23Å; Y215-A228 HydrophobicContact CD1-CB 4.49Å; Y215-A228 HydrophobicContact CE1-CB 3.75Å; Y215-A228 HydrophobicContact CE2-CB 3.82Å; Y215-A228 WeakPolarHBondContact OH-CB 3.26Å; Y215-A261 WeakPolarHBondContact CE2-O 3.07Å; Y215-A261 PolarHBondContact OH-O 3.14Å; Y215-D264 VanDerWaalsContact CE1-C 3.44Å; Y215-D264 HydrophobicContact CE1-CB 3.64Å; Y215-D264 WeakPolarHBondContact CE1-O 3.33Å; Y215-D264 PolarHBondContact OH-N 2.64Å; Y215-Y265 HydrophobicContact CD2-CD2 4.22Å; Y215-Y265 HydrophobicContact CE2-CD2 4.34Å; Y215-Y265 PolarHBondContact OH-N 3.02Å
216	G	98.3	Very high	98.7	Very high	39 Å²	39	38.9 Å²	38.9	40%	0.402	21%	0.207	S	C	.	.	H	α-helix	trans	-75	-11.8	176.8	0	0	0	0	0	115.2	E212 T213 G214 Y218 K219	E212-G216 PolarHBondContact O-N 3.46Å; T213-G216 PolarHBondContact O-N 3.28Å; T213-G216 VanDerWaalsContact O-N 3.13Å; G214-G216 VanDerWaalsContact C-N 3.26Å; G214-G216 PolarHBondContact O-N 2.94Å; G216-Y218 PolarHBondContact O-N 3.29Å; G216-K219 PolarHBondContact O-N 3.22Å
217	K	98.6	Very high	98.7	Very high	104 Å²	104	36.9 Å²	36.9	45%	0.452	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-44.9	-169.9	-176.9	174.3	-180	173.5	0	114.1	T213 G214 Y215 E266	T213-K217 PolarHBondContact O-N 3.02Å; G214-K217 WeakPolarHBondContact O-CB 3.39Å; G214-K217 PolarHBondContact O-N 3.46Å; Y215-K217 VanDerWaalsContact C-N 3.3Å; Y215-K217 PolarHBondContact O-N 3.5Å; K217-E266 HydrophobicContact CD-CB 4.27Å; K217-E266 HydrophobicContact CD-CG 3.74Å; K217-E266 WeakPolarHBondContact CD-OE1 3.46Å; K217-E266 IonicContact NZ-OE1 3.22Å; K217-E266 PolarHBondContact NZ-OE1 3.15Å; K217-E266 IonicContact NZ-OE2 3.33Å; K217-E266 PolarHBondContact NZ-OE2 3.26Å
218	Y	98.6	Very high	98.7	Very high	104 Å²	104	36.8 Å²	36.8	41%	0.408	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-0.8	-176	-62.1	-80.3	0	0	0	114	G216 N220 E266 H267 T268	G216-Y218 PolarHBondContact O-N 3.29Å; Y218-N220 VanDerWaalsContact C-N 3.32Å; Y218-N220 WeakPolarHBondContact CB-OD1 3.32Å; Y218-N220 PolarHBondContact O-N 2.8Å; Y218-E266 HydrophobicContact CE2-CB 4.3Å; Y218-E266 VanDerWaalsContact CE2-O 3.27Å; Y218-E266 WeakPolarHBondContact CE2-O 3.12Å; Y218-H267 WeakPolarHBondContact CD2-O 3.33Å; Y218-T268 HydrophobicContact CD2-CG2 4.45Å; Y218-T268 HydrophobicContact CE1-CG2 4.34Å; Y218-T268 HydrophobicContact CE2-CG2 3.97Å
219	K	98.4	Very high	98.7	Very high	169 Å²	169	36.8 Å²	36.8	74%	0.735	19%	0.193	S	C	*	.			trans	53.6	47.4	177	-55.4	179.9	-178	-178.8	0	112.9	G216 R394	G216-K219 PolarHBondContact O-N 3.22Å; K219-R394 PolarHBondContact O-NH1 2.93Å
220	N	98.7	Very high	98.8	Very high	14 Å²	14	34 Å²	34	8%	0.075	18%	0.178	C	C	.	.			trans	-70.6	138.1	-176.8	-61	-26.8	0	0	0	111.6	Y218 H223 N224 H267 G269 E391	Y218-N220 VanDerWaalsContact C-N 3.32Å; Y218-N220 WeakPolarHBondContact CB-OD1 3.32Å; Y218-N220 PolarHBondContact O-N 2.8Å; N220-H223 WeakPolarHBondContact CB-O 3.32Å; N220-H223 PolarHBondContact ND2-O 2.89Å; N220-N224 PolarHBondContact O-ND2 3.32Å; N220-H267 PolarHBondContact ND2-O 3.49Å; N220-G269 VanDerWaalsContact OD1-CA 3.31Å; N220-G269 WeakPolarHBondContact OD1-CA 3.36Å; N220-G269 PolarHBondContact OD1-N 2.88Å; N220-E391 WeakPolarHBondContact CB-OE2 3.29Å
221	P	98.6	Very high	98.8	Very high	29 Å²	29	32.8 Å²	32.8	19%	0.188	17%	0.168	C	C	.	.	S	Bend	trans	-60.7	-42.2	172	-24.3	34.7	0	0	0	113.9	N224 A387 E390 E391	P221-N224 PolarHBondContact O-ND2 2.86Å; P221-A387 HydrophobicContact CB-CB 4.48Å; P221-A387 WeakPolarHBondContact CB-O 3.39Å; P221-A387 WeakPolarHBondContact O-CB 3.49Å; P221-E390 HydrophobicContact CB-CB 4.38Å; P221-E390 HydrophobicContact CB-CG 4.19Å; P221-E390 HydrophobicContact CG-CB 4.42Å; P221-E390 HydrophobicContact CG-CG 3.83Å; P221-E391 HydrophobicContact CB-CB 4.27Å; P221-E391 WeakPolarHBondContact CD-OE2 3.39Å; P221-E391 HydrophobicContact CG-CB 4.1Å
222	Y	98.8	Very high	98.8	Very high	9 Å²	9	32.8 Å²	32.8	4%	0.035	17%	0.168	C	C	.	.	S	Bend	trans	-107	-61.2	-175.5	-176.6	-86.7	0	0	0	112.1	N224 H227 W384 A387 L388 E391	Y222-N224 PolarHBondContact O-N 2.83Å; Y222-N224 PolarHBondContact O-ND2 3.37Å; Y222-H227 AromaticContact CE1-CE1 3.57Å; Y222-H227 AromaticContact CE1-CG 3.89Å; Y222-H227 AromaticContact CE1-ND1 3.54Å; Y222-H227 AromaticContact CE1-NE2 3.92Å; Y222-H227 AromaticContact CZ-CE1 3.74Å; Y222-H227 AromaticContact CZ-ND1 3.58Å; Y222-H227 WeakPolarHBondContact O-CB 3.2Å; Y222-H227 PolarHBondContact OH-CE1 3.44Å; Y222-H227 PolarHBondContact OH-ND1 3.46Å; Y222-W384 HydrophobicContact CD2-CD2 4.47Å; Y222-W384 AromaticContact CD2-CE3 3.53Å; Y222-W384 HydrophobicContact CD2-CE3 3.53Å; Y222-W384 HydrophobicContact CD2-CZ3 4.09Å; Y222-W384 HydrophobicContact CE2-CB 4.19Å; Y222-W384 HydrophobicContact CE2-CD2 4.14Å; Y222-W384 AromaticContact CE2-CE3 3.59Å; Y222-W384 HydrophobicContact CE2-CE3 3.59Å; Y222-W384 HydrophobicContact CE2-CG 4.42Å; Y222-W384 HydrophobicContact CE2-CZ3 4.34Å; Y222-W384 HydrophobicContact CG-CE3 4.4Å; Y222-A387 HydrophobicContact CD2-CB 4.27Å; Y222-L388 HydrophobicContact CD1-CD1 3.9Å; Y222-L388 HydrophobicContact CD2-CB 3.61Å; Y222-L388 HydrophobicContact CD2-CD1 4.17Å; Y222-L388 HydrophobicContact CD2-CG 4.38Å; Y222-L388 HydrophobicContact CE1-CD1 4.34Å; Y222-L388 HydrophobicContact CE2-CB 4.11Å; Y222-L388 HydrophobicContact CG-CB 4.03Å; Y222-L388 HydrophobicContact CG-CD1 3.81Å; Y222-L388 HydrophobicContact CG-CG 4.49Å; Y222-E391 WeakPolarHBondContact CA-OE2 3.41Å; Y222-E391 WeakPolarHBondContact CB-OE2 3.13Å; Y222-E391 PolarHBondContact N-OE2 3.28Å
223	H	98.9	Very high	98.8	Very high	28 Å²	28	32.1 Å²	32.1	13%	0.13	17%	0.165	C	C	.	.	S	Bend	trans	-78.2	72.9	-173.4	-58.8	93.7	0	0	0	111.1	N220 D264 H267 E391	N220-H223 WeakPolarHBondContact CB-O 3.32Å; N220-H223 PolarHBondContact ND2-O 2.89Å; H223-D264 IonicContact CD2-OD1 2.89Å; H223-D264 IonicContact CD2-OD2 2.73Å; H223-D264 PolarHBondContact CD2-OD2 3.41Å; H223-D264 VanDerWaalsContact CD2-OD2 3.32Å; H223-H267 HydrophobicContact CB-CB 3.72Å; H223-H267 WeakPolarHBondContact CB-ND1 3.37Å; H223-H267 AromaticContact CE1-CE1 3.85Å; H223-H267 AromaticContact CG-CE1 3.67Å; H223-H267 AromaticContact CG-CG 3.79Å; H223-H267 AromaticContact CG-ND1 3.53Å; H223-H267 AromaticContact ND1-CE1 3.43Å; H223-H267 PolarHBondContact ND1-CE1 2.67Å; H223-H267 AromaticContact ND1-ND1 3.62Å; H223-E391 IonicContact CE1-OE1 2.64Å; H223-E391 IonicContact CG-OE1 3.52Å; H223-E391 PolarHBondContact N-OE2 3.32Å; H223-E391 VanDerWaalsContact N-OE2 3.14Å; H223-E391 IonicContact ND1-OE1 3.7Å; H223-E391 PolarHBondContact ND1-OE1 3.2Å; H223-E391 IonicContact ND1-OE2 3.07Å
224	N	98.9	Very high	98.8	Very high	27 Å²	27	27.4 Å²	27.4	14%	0.144	14%	0.136	C	C	.	.	S	Bend	trans	-132.4	-177.7	-178.5	60.5	50.9	0	0	0	111.1	N220 P221 Y222 I226 H227 A228	N220-N224 PolarHBondContact O-ND2 3.32Å; P221-N224 PolarHBondContact O-ND2 2.86Å; Y222-N224 PolarHBondContact O-N 2.83Å; Y222-N224 PolarHBondContact O-ND2 3.37Å; N224-I226 PolarHBondContact O-N 3.23Å; N224-I226 VanDerWaalsContact O-N 3.17Å; N224-I226 WeakPolarHBondContact OD1-CB 3.48Å; N224-I226 PolarHBondContact OD1-N 3.46Å; N224-H227 WeakPolarHBondContact O-CB 3.19Å; N224-H227 PolarHBondContact O-N 3.24Å; N224-H227 PolarHBondContact OD1-N 2.68Å; N224-A228 PolarHBondContact O-N 3.45Å
225	Q	98.8	Very high	98.8	Very high	15 Å²	15	27.2 Å²	27.2	7%	0.07	13%	0.134	C	C	.	.	H	α-helix	trans	-60.9	-29.5	-174.7	67.1	77.9	9.3	0	0	113.3	N172 D177 L180 E212 Y215 H227 A228 A229	N172-Q225 PolarHBondContact OD1-NE2 2.86Å; D177-Q225 PolarHBondContact O-NE2 3.22Å; D177-Q225 PolarHBondContact OD1-NE2 3.26Å; L180-Q225 HydrophobicContact CB-CB 4.01Å; L180-Q225 HydrophobicContact CD2-CB 4.11Å; L180-Q225 VanDerWaalsContact N-OE1 3.1Å; E212-Q225 HydrophobicContact CG-CB 4.16Å; E212-Q225 HydrophobicContact CG-CG 4.46Å; Y215-Q225 HydrophobicContact CG-CB 4.23Å; Q225-H227 VanDerWaalsContact C-N 3.3Å; Q225-H227 PolarHBondContact O-N 3.25Å; Q225-A228 PolarHBondContact O-N 2.94Å; Q225-A229 VanDerWaalsContact O-CB 3.3Å; Q225-A229 WeakPolarHBondContact O-CB 3.47Å; Q225-A229 PolarHBondContact O-N 3.31Å
226	I	98.9	Very high	98.8	Very high	21 Å²	21	27.2 Å²	27.2	11%	0.108	13%	0.134	C	C	.	.	H	α-helix	trans	-67.5	-37.5	179	-51.1	174.5	0	0	0	109.8	V168 F169 N172 N224 A229 D230 W384	V168-I226 HydrophobicContact CG1-CG2 4Å; V168-I226 HydrophobicContact CG2-CG2 3.98Å; F169-I226 HydrophobicContact CD1-CG2 3.83Å; F169-I226 HydrophobicContact CE1-CG2 3.82Å; N172-I226 HydrophobicContact CB-CD1 4.49Å; N172-I226 HydrophobicContact CB-CG1 4.49Å; N172-I226 WeakPolarHBondContact ND2-CD1 3.34Å; N224-I226 PolarHBondContact O-N 3.23Å; N224-I226 VanDerWaalsContact O-N 3.17Å; N224-I226 WeakPolarHBondContact OD1-CB 3.48Å; N224-I226 PolarHBondContact OD1-N 3.46Å; I226-A229 WeakPolarHBondContact O-CB 3.41Å; I226-A229 PolarHBondContact O-N 2.98Å; I226-D230 PolarHBondContact O-N 3.49Å; I226-W384 HydrophobicContact CB-CH2 4.01Å; I226-W384 HydrophobicContact CG2-CH2 3.85Å; I226-W384 HydrophobicContact CG2-CZ2 3.98Å
227	H	98.9	Very high	98.8	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-66.5	-48	176.3	171.3	64.7	0	0	0	110.3	Y222 N224 Q225 A229 D230 V231 H263 D264 D370 W384	Y222-H227 AromaticContact CE1-CE1 3.57Å; Y222-H227 AromaticContact CE1-CG 3.89Å; Y222-H227 AromaticContact CE1-ND1 3.54Å; Y222-H227 AromaticContact CE1-NE2 3.92Å; Y222-H227 AromaticContact CZ-CE1 3.74Å; Y222-H227 AromaticContact CZ-ND1 3.58Å; Y222-H227 WeakPolarHBondContact O-CB 3.2Å; Y222-H227 PolarHBondContact OH-CE1 3.44Å; Y222-H227 PolarHBondContact OH-ND1 3.46Å; N224-H227 WeakPolarHBondContact O-CB 3.19Å; N224-H227 PolarHBondContact O-N 3.24Å; N224-H227 PolarHBondContact OD1-N 2.68Å; Q225-H227 VanDerWaalsContact C-N 3.3Å; Q225-H227 PolarHBondContact O-N 3.25Å; H227-A229 VanDerWaalsContact C-N 3.26Å; H227-A229 PolarHBondContact O-N 3.22Å; H227-D230 WeakPolarHBondContact O-CB 3.47Å; H227-D230 PolarHBondContact O-N 2.72Å; H227-V231 VanDerWaalsContact CE1-CG2 3.41Å; H227-V231 WeakPolarHBondContact CE1-CG2 3.48Å; H227-V231 WeakPolarHBondContact O-CG2 3.36Å; H227-V231 PolarHBondContact O-N 2.99Å; H227-H263 AromaticContact CD2-CE1 3.98Å; H227-H263 AromaticContact CD2-NE2 3.95Å; H227-H263 AromaticContact NE2-CE1 3.68Å; H227-H263 AromaticContact NE2-NE2 3.31Å; H227-H263 PolarHBondContact NE2-NE2 2.96Å; H227-D264 IonicContact CD2-OD2 3.54Å; H227-D264 PolarHBondContact CD2-OD2 3.28Å; H227-D264 IonicContact NE2-OD2 3.14Å; H227-D264 PolarHBondContact NE2-OD2 3.1Å; H227-D370 IonicContact CE1-OD1 2.67Å; H227-D370 PolarHBondContact CE1-OD1 2.81Å; H227-D370 IonicContact NE2-OD1 3.56Å; H227-D370 PolarHBondContact NE2-OD1 3.18Å; H227-W384 VanDerWaalsContact CA-CH2 3.47Å; H227-W384 HydrophobicContact CB-CH2 3.71Å; H227-W384 HydrophobicContact CB-CZ2 4.45Å; H227-W384 HydrophobicContact CB-CZ3 3.98Å
228	A	98.9	Very high	98.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.1	-39.9	174.3	0	0	0	0	0	112.6	L180 Y215 N224 Q225 T232	L180-A228 HydrophobicContact CD1-CB 3.85Å; L180-A228 HydrophobicContact CD2-CB 4.05Å; Y215-A228 HydrophobicContact CD1-CB 4.49Å; Y215-A228 HydrophobicContact CE1-CB 3.75Å; Y215-A228 HydrophobicContact CE2-CB 3.82Å; Y215-A228 WeakPolarHBondContact OH-CB 3.26Å; N224-A228 PolarHBondContact O-N 3.45Å; Q225-A228 PolarHBondContact O-N 2.94Å; A228-T232 VanDerWaalsContact O-CB 3.32Å; A228-T232 WeakPolarHBondContact O-CB 3.35Å; A228-T232 PolarHBondContact O-N 3.35Å; A228-T232 PolarHBondContact O-OG1 3.04Å
229	A	98.9	Very high	98.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.9	-42.7	175.2	0	0	0	0	0	111.9	V168 A179 L180 I183 Q225 I226 H227 T232 Q233	V168-A229 HydrophobicContact CG2-CB 3.86Å; A179-A229 HydrophobicContact CB-CB 3.83Å; L180-A229 HydrophobicContact CB-CB 4.17Å; L180-A229 HydrophobicContact CD1-CB 4.43Å; I183-A229 HydrophobicContact CD1-CB 3.93Å; Q225-A229 VanDerWaalsContact O-CB 3.3Å; Q225-A229 WeakPolarHBondContact O-CB 3.47Å; Q225-A229 PolarHBondContact O-N 3.31Å; I226-A229 WeakPolarHBondContact O-CB 3.41Å; I226-A229 PolarHBondContact O-N 2.98Å; H227-A229 VanDerWaalsContact C-N 3.26Å; H227-A229 PolarHBondContact O-N 3.22Å; A229-T232 PolarHBondContact O-N 3.4Å; A229-Q233 WeakPolarHBondContact O-CB 3.43Å; A229-Q233 PolarHBondContact O-N 3.47Å
230	D	98.9	Very high	98.6	Very high	3 Å²	3	10.3 Å²	10.3	2%	0.016	5%	0.054	C	C	.	.	H	α-helix	trans	-62.7	-48	176.7	-168.5	29.8	0	0	0	111.4	V168 I226 H227 T232 Q233 T234 K376 W384	V168-D230 HydrophobicContact CB-CB 4.33Å; V168-D230 HydrophobicContact CG1-CB 4.02Å; V168-D230 HydrophobicContact CG2-CB 4.29Å; I226-D230 PolarHBondContact O-N 3.49Å; H227-D230 WeakPolarHBondContact O-CB 3.47Å; H227-D230 PolarHBondContact O-N 2.72Å; D230-T232 PolarHBondContact O-N 2.75Å; D230-Q233 PolarHBondContact O-N 3.43Å; D230-T234 WeakPolarHBondContact O-CB 3.19Å; D230-T234 PolarHBondContact O-N 3.46Å; D230-T234 PolarHBondContact O-OG1 2.85Å; D230-K376 WeakPolarHBondContact OD1-CE 3.47Å; D230-K376 IonicContact OD1-NZ 3.45Å; D230-K376 PolarHBondContact OD1-NZ 3.3Å; D230-K376 IonicContact OD2-NZ 3.4Å; D230-K376 PolarHBondContact OD2-NZ 3.47Å; D230-W384 HydrophobicContact CB-CZ2 4.02Å; D230-W384 PolarHBondContact OD2-NE1 3.25Å
231	V	98.9	Very high	98.3	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.4	-45	178.3	178.7	0	0	0	0	110.4	H227 Q233 T234 V235 A260 L366 A369 D370	H227-V231 VanDerWaalsContact CE1-CG2 3.41Å; H227-V231 WeakPolarHBondContact CE1-CG2 3.48Å; H227-V231 WeakPolarHBondContact O-CG2 3.36Å; H227-V231 PolarHBondContact O-N 2.99Å; V231-Q233 PolarHBondContact O-N 3.42Å; V231-T234 PolarHBondContact O-N 3.08Å; V231-V235 WeakPolarHBondContact O-CG2 3.31Å; V231-V235 PolarHBondContact O-N 3Å; V231-A260 HydrophobicContact CG1-CB 4.21Å; V231-L366 HydrophobicContact CG1-CD1 3.73Å; V231-A369 HydrophobicContact CG1-CB 4.06Å; V231-D370 HydrophobicContact CG1-CB 4.48Å; V231-D370 HydrophobicContact CG2-CB 4.48Å
232	T	98.9	Very high	98	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-60.2	-46	178.2	-54.8	0	0	0	0	112.1	I183 V184 L187 A228 A229 D230 T234 H236 V257 A260 A261	I183-T232 HydrophobicContact CG2-CG2 4.22Å; V184-T232 HydrophobicContact CG2-CG2 4.21Å; L187-T232 HydrophobicContact CD1-CG2 3.88Å; A228-T232 VanDerWaalsContact O-CB 3.32Å; A228-T232 WeakPolarHBondContact O-CB 3.35Å; A228-T232 PolarHBondContact O-N 3.35Å; A228-T232 PolarHBondContact O-OG1 3.04Å; A229-T232 PolarHBondContact O-N 3.4Å; D230-T232 PolarHBondContact O-N 2.75Å; T232-T234 VanDerWaalsContact C-N 3.35Å; T232-H236 PolarHBondContact O-N 3.35Å; T232-V257 HydrophobicContact CG2-CG1 4.08Å; T232-A260 HydrophobicContact CG2-CB 4.44Å; T232-A261 WeakPolarHBondContact OG1-CA 3.37Å; T232-A261 PolarHBondContact OG1-N 2.84Å
233	Q	98.9	Very high	97.6	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.009	5%	0.054	C	C	.	.	H	α-helix	trans	-68.1	-36.1	176.5	-172.9	-84.3	-28.5	0	0	112.2	L161 L163 F166 I183 A229 D230 V231 H236 C237	L161-Q233 HydrophobicContact CD1-CG 3.78Å; L161-Q233 PolarHBondContact O-NE2 2.72Å; L163-Q233 PolarHBondContact O-NE2 3.11Å; F166-Q233 HydrophobicContact CD1-CB 4.27Å; F166-Q233 VanDerWaalsContact CD1-CD 3.44Å; F166-Q233 HydrophobicContact CD1-CG 3.55Å; F166-Q233 HydrophobicContact CE1-CB 4.29Å; F166-Q233 HydrophobicContact CE1-CG 3.85Å; F166-Q233 HydrophobicContact CG-CG 4.02Å; I183-Q233 HydrophobicContact CD1-CB 4Å; I183-Q233 HydrophobicContact CG2-CB 4.2Å; A229-Q233 WeakPolarHBondContact O-CB 3.43Å; A229-Q233 PolarHBondContact O-N 3.47Å; D230-Q233 PolarHBondContact O-N 3.43Å; V231-Q233 PolarHBondContact O-N 3.42Å; Q233-H236 WeakPolarHBondContact O-CB 3.29Å; Q233-H236 PolarHBondContact O-N 3.08Å; Q233-C237 WeakPolarHBondContact O-CB 3.24Å; Q233-C237 PolarHBondContact O-N 2.95Å
234	T	98.9	Very high	97.3	Very high	4 Å²	4	10.3 Å²	10.3	3%	0.025	5%	0.05	C	C	.	.	H	α-helix	trans	-66.1	-43.6	178.5	-60.1	0	0	0	0	111.2	D230 V231 T232 H236 C237 F238 A369 K376	D230-T234 WeakPolarHBondContact O-CB 3.19Å; D230-T234 PolarHBondContact O-N 3.46Å; D230-T234 PolarHBondContact O-OG1 2.85Å; V231-T234 PolarHBondContact O-N 3.08Å; T232-T234 VanDerWaalsContact C-N 3.35Å; T234-H236 VanDerWaalsContact C-N 3.32Å; T234-H236 PolarHBondContact O-N 2.71Å; T234-C237 WeakPolarHBondContact O-CB 3.41Å; T234-C237 PolarHBondContact O-N 2.86Å; T234-F238 HydrophobicContact CG2-CD1 3.99Å; T234-F238 HydrophobicContact CG2-CD2 4.22Å; T234-F238 HydrophobicContact CG2-CE1 3.46Å; T234-F238 VanDerWaalsContact CG2-CE1 3.46Å; T234-F238 HydrophobicContact CG2-CE2 3.72Å; T234-F238 HydrophobicContact CG2-CG 4.35Å; T234-F238 HydrophobicContact CG2-CZ 3.29Å; T234-F238 WeakPolarHBondContact O-CB 3.24Å; T234-F238 WeakPolarHBondContact O-CD1 3.49Å; T234-F238 VanDerWaalsContact O-CG 3.31Å; T234-F238 WeakPolarHBondContact O-CG 3.36Å; T234-F238 PolarHBondContact O-N 3.3Å; T234-A369 HydrophobicContact CG2-CB 3.82Å; T234-K376 WeakPolarHBondContact OG1-CE 3.3Å; T234-K376 PolarHBondContact OG1-NZ 2.82Å
235	V	98.9	Very high	97	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-54.1	-50.4	172	162.5	0	0	0	0	110.4	V231 C237 F238 L239 I256 A260 L365 L366 A369	V231-V235 WeakPolarHBondContact O-CG2 3.31Å; V231-V235 PolarHBondContact O-N 3Å; V235-C237 PolarHBondContact O-N 3.4Å; V235-F238 PolarHBondContact O-N 2.84Å; V235-L239 HydrophobicContact CG1-CD1 4.13Å; V235-L239 WeakPolarHBondContact O-CG 3.32Å; V235-L239 PolarHBondContact O-N 3.21Å; V235-I256 HydrophobicContact CG1-CB 4.49Å; V235-I256 HydrophobicContact CG1-CD1 3.87Å; V235-I256 HydrophobicContact CG1-CG1 3.73Å; V235-I256 HydrophobicContact CG1-CG2 4.11Å; V235-A260 HydrophobicContact CB-CB 4.46Å; V235-A260 HydrophobicContact CG2-CB 3.97Å; V235-L365 HydrophobicContact CB-CD2 4.14Å; V235-L365 HydrophobicContact CG1-CD2 3.82Å; V235-L365 HydrophobicContact CG2-CD2 4.02Å; V235-L366 HydrophobicContact CG2-CD1 3.94Å; V235-A369 HydrophobicContact CG2-CB 3.49Å; V235-A369 VanDerWaalsContact CG2-CB 3.49Å
236	H	98.6	Very high	96.6	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.009	8%	0.078	C	C	.	.	H	α-helix	trans	-58.3	-48	177.2	169.1	72.6	0	0	0	112.3	D162 L187 H191 T232 Q233 T234 F238 L239 L240	D162-H236 IonicContact OD1-CD2 3.93Å; D162-H236 IonicContact OD1-CE1 3.74Å; D162-H236 IonicContact OD1-NE2 2.92Å; D162-H236 PolarHBondContact OD1-NE2 3.05Å; L187-H236 HydrophobicContact CD1-CB 3.86Å; L187-H236 HydrophobicContact CD2-CB 4.02Å; L187-H236 VanDerWaalsContact CD2-CG 3.48Å; H191-H236 AromaticContact CD2-ND1 3.93Å; H191-H236 AromaticContact CE1-CE1 3.79Å; H191-H236 AromaticContact CE1-ND1 3.62Å; H191-H236 AromaticContact NE2-CE1 3.31Å; H191-H236 PolarHBondContact NE2-CE1 3.13Å; H191-H236 VanDerWaalsContact NE2-CE1 3.31Å; H191-H236 AromaticContact NE2-ND1 2.86Å; H191-H236 PolarHBondContact NE2-ND1 2.78Å; T232-H236 PolarHBondContact O-N 3.35Å; Q233-H236 WeakPolarHBondContact O-CB 3.29Å; Q233-H236 PolarHBondContact O-N 3.08Å; T234-H236 VanDerWaalsContact C-N 3.32Å; T234-H236 PolarHBondContact O-N 2.71Å; H236-F238 VanDerWaalsContact C-N 3.33Å; H236-F238 PolarHBondContact O-N 3.09Å; H236-L239 PolarHBondContact O-N 3.14Å; H236-L240 VanDerWaalsContact CE1-CD1 3.46Å; H236-L240 WeakPolarHBondContact CE1-CD1 3.26Å; H236-L240 WeakPolarHBondContact NE2-CD1 3.27Å; H236-L240 WeakPolarHBondContact O-CG 3.46Å; H236-L240 PolarHBondContact O-N 3.4Å; H236-L240 VanDerWaalsContact O-N 3.1Å
237	C	98.5	Very high	96.2	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.02	9%	0.086	C	C	.	.	H	α-helix	trans	-57.5	-46	176.4	-177.8	0	0	0	0	111.2	Q233 T234 V235 L239 L240 R241	Q233-C237 WeakPolarHBondContact O-CB 3.24Å; Q233-C237 PolarHBondContact O-N 2.95Å; T234-C237 WeakPolarHBondContact O-CB 3.41Å; T234-C237 PolarHBondContact O-N 2.86Å; V235-C237 PolarHBondContact O-N 3.4Å; C237-L239 PolarHBondContact O-N 2.99Å; C237-L240 PolarHBondContact O-N 2.88Å; C237-R241 VanDerWaalsContact O-CB 3.26Å; C237-R241 WeakPolarHBondContact O-CB 3.34Å; C237-R241 WeakPolarHBondContact O-CG 3.3Å; C237-R241 PolarHBondContact O-N 3.29Å
238	F	98.6	Very high	96	Very high	1 Å²	1	18.6 Å²	18.6	0%	0.004	9%	0.093	C	C	.	.	H	α-helix	trans	-62.3	-45.8	179.2	-71.2	2.3	0	0	0	111.5	W164 T234 V235 H236 L240 R241 T242 L365 A368 A369 F433 L436 F481	W164-F238 HydrophobicContact CE3-CE1 4.3Å; W164-F238 HydrophobicContact CH2-CD1 4.08Å; W164-F238 AromaticContact CH2-CE1 3.36Å; W164-F238 HydrophobicContact CH2-CE1 3.36Å; W164-F238 HydrophobicContact CH2-CZ 4.07Å; W164-F238 AromaticContact CZ2-CE1 3.83Å; W164-F238 HydrophobicContact CZ2-CE1 3.83Å; W164-F238 HydrophobicContact CZ2-CZ 4.36Å; W164-F238 AromaticContact CZ3-CD1 3.94Å; W164-F238 HydrophobicContact CZ3-CD1 3.94Å; W164-F238 AromaticContact CZ3-CE1 3.63Å; W164-F238 HydrophobicContact CZ3-CE1 3.63Å; T234-F238 HydrophobicContact CG2-CD1 3.99Å; T234-F238 HydrophobicContact CG2-CD2 4.22Å; T234-F238 HydrophobicContact CG2-CE1 3.46Å; T234-F238 VanDerWaalsContact CG2-CE1 3.46Å; T234-F238 HydrophobicContact CG2-CE2 3.72Å; T234-F238 HydrophobicContact CG2-CG 4.35Å; T234-F238 HydrophobicContact CG2-CZ 3.29Å; T234-F238 WeakPolarHBondContact O-CB 3.24Å; T234-F238 WeakPolarHBondContact O-CD1 3.49Å; T234-F238 VanDerWaalsContact O-CG 3.31Å; T234-F238 WeakPolarHBondContact O-CG 3.36Å; T234-F238 PolarHBondContact O-N 3.3Å; V235-F238 PolarHBondContact O-N 2.84Å; H236-F238 VanDerWaalsContact C-N 3.33Å; H236-F238 PolarHBondContact O-N 3.09Å; F238-L240 VanDerWaalsContact C-N 3.3Å; F238-L240 PolarHBondContact O-N 2.85Å; F238-R241 PolarHBondContact O-N 3.17Å; F238-T242 WeakPolarHBondContact O-CB 3.36Å; F238-T242 VanDerWaalsContact O-CG2 3.3Å; F238-T242 WeakPolarHBondContact O-CG2 3.34Å; F238-T242 PolarHBondContact O-N 3.46Å; F238-T242 PolarHBondContact O-OG1 3.25Å; F238-L365 HydrophobicContact CB-CD1 4.3Å; F238-L365 HydrophobicContact CB-CD2 4.3Å; F238-L365 HydrophobicContact CB-CG 4.31Å; F238-L365 HydrophobicContact CD2-CG 4.46Å; F238-A368 HydrophobicContact CE2-CB 4.23Å; F238-A369 HydrophobicContact CD2-CB 4.37Å; F238-A369 HydrophobicContact CE2-CB 4.18Å; F238-F433 HydrophobicContact CE1-CE1 4.25Å; F238-F433 AromaticContact CE2-CE1 3.92Å; F238-F433 HydrophobicContact CE2-CE1 3.92Å; F238-F433 AromaticContact CE2-CZ 3.95Å; F238-F433 HydrophobicContact CE2-CZ 3.95Å; F238-F433 AromaticContact CZ-CE1 3.44Å; F238-F433 HydrophobicContact CZ-CE1 3.44Å; F238-F433 VanDerWaalsContact CZ-CE1 3.44Å; F238-F433 AromaticContact CZ-CZ 3.6Å; F238-F433 HydrophobicContact CZ-CZ 3.6Å; F238-L436 HydrophobicContact CD2-CD2 4.05Å; F238-L436 HydrophobicContact CE2-CD2 4.3Å; F238-F481 HydrophobicContact CB-CE2 4.33Å; F238-F481 AromaticContact CD1-CE2 3.64Å; F238-F481 HydrophobicContact CD1-CE2 3.64Å; F238-F481 HydrophobicContact CD1-CZ 4.16Å; F238-F481 HydrophobicContact CE1-CE2 4.11Å; F238-F481 HydrophobicContact CE1-CZ 4.39Å; F238-F481 AromaticContact CG-CE2 3.99Å; F238-F481 HydrophobicContact CG-CE2 3.99Å; F238-F481 HydrophobicContact CG-CZ 4.26Å
239	L	97	Very high	96	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.2	-42.4	177.4	-71.8	174.9	0	0	0	112.4	V235 H236 C237 G243 M244 V245 L248 I256 L365	V235-L239 HydrophobicContact CG1-CD1 4.13Å; V235-L239 WeakPolarHBondContact O-CG 3.32Å; V235-L239 PolarHBondContact O-N 3.21Å; H236-L239 PolarHBondContact O-N 3.14Å; C237-L239 PolarHBondContact O-N 2.99Å; L239-G243 CarbonylContact O-C 3.47Å; L239-G243 PolarHBondContact O-N 2.82Å; L239-M244 HydrophobicContact CD2-CB 4.19Å; L239-M244 PolarHBondContact O-N 3.18Å; L239-V245 HydrophobicContact CB-CB 4.08Å; L239-V245 PolarHBondContact O-N 3.46Å; L239-V245 VanDerWaalsContact O-N 3.1Å; L239-L248 HydrophobicContact CD1-CD1 4.35Å; L239-L248 HydrophobicContact CD2-CD1 3.55Å; L239-I256 HydrophobicContact CD1-CG2 4Å; L239-L365 HydrophobicContact CD2-CD1 3.76Å; L239-L365 HydrophobicContact CG-CD1 4.31Å; L239-L365 HydrophobicContact CG-CD2 4.42Å
240	L	95.1	Very high	95.9	Very high	57 Å²	57	25.1 Å²	25.1	30%	0.298	13%	0.128	S	C	.	.	H	α-helix	trans	-71.2	-49	176.9	-67	-173.3	0	0	0	112.4	D162 H236 C237 F238 T242 G243 V245	D162-L240 HydrophobicContact CB-CD1 3.83Å; H236-L240 VanDerWaalsContact CE1-CD1 3.46Å; H236-L240 WeakPolarHBondContact CE1-CD1 3.26Å; H236-L240 WeakPolarHBondContact NE2-CD1 3.27Å; H236-L240 WeakPolarHBondContact O-CG 3.46Å; H236-L240 PolarHBondContact O-N 3.4Å; H236-L240 VanDerWaalsContact O-N 3.1Å; C237-L240 PolarHBondContact O-N 2.88Å; F238-L240 VanDerWaalsContact C-N 3.3Å; F238-L240 PolarHBondContact O-N 2.85Å; L240-T242 VanDerWaalsContact C-N 3.28Å; L240-T242 PolarHBondContact O-N 3.36Å; L240-G243 PolarHBondContact O-N 3.21Å; L240-V245 HydrophobicContact CD2-CG1 4.2Å
241	R	93.1	Very high	95.9	Very high	70 Å²	70	25.6 Å²	25.6	26%	0.264	13%	0.131	S	C	.	.	H	α-helix	trans	-73.3	-19.4	-171.8	-65.4	-66.9	-64.7	-130.4	-3.8	113.7	C237 F238 D477 F481	C237-R241 VanDerWaalsContact O-CB 3.26Å; C237-R241 WeakPolarHBondContact O-CB 3.34Å; C237-R241 WeakPolarHBondContact O-CG 3.3Å; C237-R241 PolarHBondContact O-N 3.29Å; F238-R241 PolarHBondContact O-N 3.17Å; R241-D477 CarbonylContact O-C 3.53Å; R241-F481 HydrophobicContact CB-CD2 3.91Å
242	T	92.9	Very high	95.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-13.5	174.1	59.4	0	0	0	0	112.9	F238 L240 M244 A440 F481	F238-T242 WeakPolarHBondContact O-CB 3.36Å; F238-T242 VanDerWaalsContact O-CG2 3.3Å; F238-T242 WeakPolarHBondContact O-CG2 3.34Å; F238-T242 PolarHBondContact O-N 3.46Å; F238-T242 PolarHBondContact O-OG1 3.25Å; L240-T242 VanDerWaalsContact C-N 3.28Å; L240-T242 PolarHBondContact O-N 3.36Å; T242-M244 PolarHBondContact O-N 2.93Å; T242-M244 WeakPolarHBondContact OG1-CB 3.38Å; T242-M244 VanDerWaalsContact OG1-CG 3.29Å; T242-M244 WeakPolarHBondContact OG1-CG 3.27Å; T242-M244 PolarHBondContact OG1-N 3.15Å; T242-A440 HydrophobicContact CG2-CB 3.97Å; T242-F481 HydrophobicContact CG2-CB 4.47Å; T242-F481 HydrophobicContact CG2-CD1 4.01Å; T242-F481 HydrophobicContact CG2-CD2 3.58Å; T242-F481 HydrophobicContact CG2-CE1 4.1Å; T242-F481 HydrophobicContact CG2-CE2 3.66Å; T242-F481 HydrophobicContact CG2-CG 3.77Å; T242-F481 HydrophobicContact CG2-CZ 3.95Å
243	G	90.4	Very high	95.9	Very high	3 Å²	3	27 Å²	27	3%	0.031	14%	0.137	C	C	.	.	S	Bend	trans	74.4	-1.2	-169.9	0	0	0	0	0	114.4	L239 L240 V245 H246	L239-G243 CarbonylContact O-C 3.47Å; L239-G243 PolarHBondContact O-N 2.82Å; L240-G243 PolarHBondContact O-N 3.21Å; G243-V245 PolarHBondContact O-N 3.35Å; G243-V245 VanDerWaalsContact O-N 3.08Å; G243-H246 PolarHBondContact O-CD2 3.3Å; G243-H246 PolarHBondContact O-N 3.49Å; G243-H246 VanDerWaalsContact O-N 3.08Å
244	M	91.4	Very high	95.9	Very high	7 Å²	7	27 Å²	27	3%	0.034	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-59.8	-22.9	-179.4	-73	-179.1	69.8	0	0	113.2	L239 T242 H246 C247 A361 L365 V439 A440 V444	L239-M244 HydrophobicContact CD2-CB 4.19Å; L239-M244 PolarHBondContact O-N 3.18Å; T242-M244 PolarHBondContact O-N 2.93Å; T242-M244 WeakPolarHBondContact OG1-CB 3.38Å; T242-M244 VanDerWaalsContact OG1-CG 3.29Å; T242-M244 WeakPolarHBondContact OG1-CG 3.27Å; T242-M244 PolarHBondContact OG1-N 3.15Å; M244-H246 PolarHBondContact O-N 3.38Å; M244-H246 VanDerWaalsContact O-N 3.11Å; M244-C247 WeakPolarHBondContact O-CB 3.05Å; M244-C247 PolarHBondContact O-N 3.4Å; M244-A361 HydrophobicContact CE-CB 4.4Å; M244-L365 HydrophobicContact CE-CD1 4.2Å; M244-L365 HydrophobicContact SD-CD1 4Å; M244-V439 HydrophobicContact CE-CG1 4.38Å; M244-A440 HydrophobicContact CG-CB 4.05Å; M244-A440 HydrophobicContact SD-CB 3.78Å; M244-V444 HydrophobicContact CG-CG2 4.26Å
245	V	92.6	Very high	95.9	Very high	22 Å²	22	26.8 Å²	26.8	13%	0.133	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-51.6	-32.9	173.5	70.1	0	0	0	0	112.7	L239 L240 G243 C247 L248	L239-V245 HydrophobicContact CB-CB 4.08Å; L239-V245 PolarHBondContact O-N 3.46Å; L239-V245 VanDerWaalsContact O-N 3.1Å; L240-V245 HydrophobicContact CD2-CG1 4.2Å; G243-V245 PolarHBondContact O-N 3.35Å; G243-V245 VanDerWaalsContact O-N 3.08Å; V245-C247 VanDerWaalsContact C-N 3.28Å; V245-C247 PolarHBondContact O-N 3.4Å; V245-L248 PolarHBondContact O-N 3.13Å
246	H	90.4	Very high	95.9	Very high	147 Å²	147	26.8 Å²	26.8	68%	0.681	14%	0.136	S	C	*	.	G	3₁₀ helix	trans	-77.3	-13.5	-178.8	-58.8	-55.2	0	0	0	113.6	G243 M244 L447	G243-H246 PolarHBondContact O-CD2 3.3Å; G243-H246 PolarHBondContact O-N 3.49Å; G243-H246 VanDerWaalsContact O-N 3.08Å; M244-H246 PolarHBondContact O-N 3.38Å; M244-H246 VanDerWaalsContact O-N 3.11Å; H246-L447 HydrophobicContact CB-CD1 4.06Å
247	C	92.1	Very high	95.9	Very high	39 Å²	39	26.7 Å²	26.7	26%	0.264	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-90.2	-4.9	177.1	-55.5	0	0	0	0	112.5	M244 V245 K358 S443	M244-C247 WeakPolarHBondContact O-CB 3.05Å; M244-C247 PolarHBondContact O-N 3.4Å; V245-C247 VanDerWaalsContact C-N 3.28Å; V245-C247 PolarHBondContact O-N 3.4Å; C247-K358 WeakPolarHBondContact O-CE 3.46Å; C247-K358 PolarHBondContact O-NZ 3.01Å; C247-K358 VanDerWaalsContact O-NZ 3.1Å; C247-S443 PolarHBondContact SG-O 3.06Å; C247-S443 VanDerWaalsContact SG-O 3.4Å
248	L	94.6	Very high	95.9	Very high	29 Å²	29	27 Å²	27	15%	0.152	14%	0.137	C	C	.	.	S	Bend	trans	-104.4	144.3	-171.9	-57.8	-177.1	0	0	0	112.6	L239 V245 E252 V253 L362	L239-L248 HydrophobicContact CD1-CD1 4.35Å; L239-L248 HydrophobicContact CD2-CD1 3.55Å; V245-L248 PolarHBondContact O-N 3.13Å; L248-E252 WeakPolarHBondContact CA-OE2 3.33Å; L248-E252 HydrophobicContact CB-CB 4.15Å; L248-E252 HydrophobicContact CD2-CB 4.33Å; L248-V253 HydrophobicContact CB-CG2 3.72Å; L248-V253 HydrophobicContact CD1-CG2 4.07Å; L248-L362 HydrophobicContact CD1-CD2 3.76Å; L248-L362 HydrophobicContact CD2-CD1 4.48Å; L248-L362 HydrophobicContact CD2-CD2 3.83Å; L248-L362 HydrophobicContact CD2-CG 4.43Å; L248-L362 HydrophobicContact CG-CD2 4.47Å
249	S	97.5	Very high	95.9	Very high	43 Å²	43	27 Å²	27	30%	0.301	14%	0.137	S	C	.	.			trans	-75.6	161.6	165.2	74.1	0	0	0	0	110.4	I251 E252 V253	S249-I251 PolarHBondContact O-N 3.11Å; S249-I251 VanDerWaalsContact OG-CG2 3.27Å; S249-I251 WeakPolarHBondContact OG-CG2 3.49Å; S249-E252 PolarHBondContact N-OE2 3.35Å; S249-E252 PolarHBondContact O-N 3.15Å; S249-E252 VanDerWaalsContact O-N 3.15Å; S249-E252 VanDerWaalsContact OG-CD 3.29Å; S249-E252 WeakPolarHBondContact OG-CG 3.33Å; S249-E252 PolarHBondContact OG-N 3.3Å; S249-E252 PolarHBondContact OG-OE2 3.35Å; S249-V253 WeakPolarHBondContact O-CG2 3.35Å; S249-V253 PolarHBondContact O-N 3.01Å
250	E	98.3	Very high	96	Very high	95 Å²	95	27 Å²	27	44%	0.444	14%	0.137	S	C	.	.	H	α-helix	trans	-60.6	-32.3	178.3	-61.9	165.5	122.6	0	0	112.1	L193 R196 F197 L254	L193-E250 HydrophobicContact CD2-CB 4.33Å; R196-E250 WeakPolarHBondContact CD-OE1 3.33Å; R196-E250 WeakPolarHBondContact CD-OE2 3.46Å; R196-E250 HydrophobicContact CG-CB 4.28Å; R196-E250 HydrophobicContact CG-CG 4.45Å; R196-E250 WeakPolarHBondContact CG-OE1 3.21Å; R196-E250 IonicContact CZ-OE2 3.22Å; R196-E250 IonicContact NE-OE1 2.7Å; R196-E250 IonicContact NE-OE2 3.4Å; R196-E250 PolarHBondContact NE-OE2 2.89Å; R196-E250 IonicContact NH2-OE2 3.84Å; F197-E250 HydrophobicContact CE2-CB 4Å; F197-E250 WeakPolarHBondContact CE2-O 3.32Å; F197-E250 HydrophobicContact CZ-CB 3.8Å; E250-L254 WeakPolarHBondContact O-CB 3.44Å; E250-L254 PolarHBondContact O-N 3.01Å
251	I	98.7	Very high	96.2	Very high	13 Å²	13	24.3 Å²	24.3	7%	0.067	12%	0.123	C	C	.	.	H	α-helix	trans	-74.9	-33.8	178.8	-164.6	70.4	0	0	0	111.3	F197 S249 L254 A255 L315 E319 E322 L323	F197-I251 HydrophobicContact CD1-CD1 4.47Å; F197-I251 HydrophobicContact CE1-CB 4.45Å; F197-I251 HydrophobicContact CE1-CD1 3.77Å; F197-I251 HydrophobicContact CZ-CB 4.06Å; F197-I251 HydrophobicContact CZ-CD1 3.88Å; S249-I251 PolarHBondContact O-N 3.11Å; S249-I251 VanDerWaalsContact OG-CG2 3.27Å; S249-I251 WeakPolarHBondContact OG-CG2 3.49Å; I251-L254 HydrophobicContact CD1-CD2 4.27Å; I251-L254 PolarHBondContact O-N 2.83Å; I251-A255 VanDerWaalsContact O-CB 3.23Å; I251-A255 WeakPolarHBondContact O-CB 3.32Å; I251-A255 PolarHBondContact O-N 2.62Å; I251-L315 HydrophobicContact CD1-CD1 4.27Å; I251-L315 HydrophobicContact CD1-CD2 4.35Å; I251-E319 HydrophobicContact CD1-CB 4.08Å; I251-E322 HydrophobicContact CG2-CG 4.39Å; I251-E322 WeakPolarHBondContact CG2-OE1 3.47Å; I251-L323 HydrophobicContact CD1-CB 3.98Å; I251-L323 HydrophobicContact CD1-CD1 3.88Å; I251-L323 HydrophobicContact CG1-CB 4.11Å
252	E	98.6	Very high	96.5	Very high	18 Å²	18	21 Å²	21	8%	0.084	11%	0.111	C	C	.	.	H	α-helix	trans	-66.8	-41.5	173.1	-71.8	163.2	176.1	0	0	111.1	L248 S249 A255 I256 L326 K358 L362	L248-E252 WeakPolarHBondContact CA-OE2 3.33Å; L248-E252 HydrophobicContact CB-CB 4.15Å; L248-E252 HydrophobicContact CD2-CB 4.33Å; S249-E252 PolarHBondContact N-OE2 3.35Å; S249-E252 PolarHBondContact O-N 3.15Å; S249-E252 VanDerWaalsContact O-N 3.15Å; S249-E252 VanDerWaalsContact OG-CD 3.29Å; S249-E252 WeakPolarHBondContact OG-CG 3.33Å; S249-E252 PolarHBondContact OG-N 3.3Å; S249-E252 PolarHBondContact OG-OE2 3.35Å; E252-A255 PolarHBondContact O-N 3.17Å; E252-I256 PolarHBondContact O-N 2.98Å; E252-L326 HydrophobicContact CG-CD1 3.98Å; E252-K358 VanDerWaalsContact CD-NZ 3.26Å; E252-K358 WeakPolarHBondContact OE1-CD 3.27Å; E252-K358 IonicContact OE1-NZ 2.88Å; E252-K358 PolarHBondContact OE1-NZ 2.89Å; E252-K358 IonicContact OE2-NZ 3.9Å; E252-K358 PolarHBondContact OE2-NZ 2.92Å; E252-L362 HydrophobicContact CB-CD1 4.26Å; E252-L362 HydrophobicContact CG-CD1 4.46Å
253	V	98.7	Very high	96.8	Very high	10 Å²	10	20.9 Å²	20.9	6%	0.061	11%	0.11	C	C	.	.	H	α-helix	trans	-65.3	-44.4	174.4	-178.6	0	0	0	0	111	L193 L248 S249 A255 I256 V257	L193-V253 HydrophobicContact CD1-CG1 4.11Å; L248-V253 HydrophobicContact CB-CG2 3.72Å; L248-V253 HydrophobicContact CD1-CG2 4.07Å; S249-V253 WeakPolarHBondContact O-CG2 3.35Å; S249-V253 PolarHBondContact O-N 3.01Å; V253-A255 VanDerWaalsContact C-N 3.32Å; V253-A255 PolarHBondContact O-N 3.33Å; V253-I256 PolarHBondContact O-N 3.25Å; V253-V257 HydrophobicContact CG1-CG2 4.46Å; V253-V257 WeakPolarHBondContact O-CG2 3.49Å; V253-V257 PolarHBondContact O-N 3.36Å; V253-V257 VanDerWaalsContact O-N 3.13Å
254	L	98.9	Very high	97.2	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-59.5	-44.5	174.6	178.5	62.2	0	0	0	111.3	L188 L193 F197 I199 E250 I251 F258 F312 L323	L188-L254 HydrophobicContact CD2-CD1 3.61Å; L193-L254 HydrophobicContact CD1-CB 4.28Å; L193-L254 HydrophobicContact CD1-CD1 4.34Å; L193-L254 HydrophobicContact CD2-CB 4.49Å; F197-L254 HydrophobicContact CB-CD2 4.46Å; F197-L254 HydrophobicContact CD2-CB 4.39Å; F197-L254 HydrophobicContact CD2-CD2 3.53Å; F197-L254 HydrophobicContact CD2-CG 4.45Å; F197-L254 HydrophobicContact CE2-CB 3.95Å; F197-L254 HydrophobicContact CE2-CD2 3.79Å; F197-L254 HydrophobicContact CE2-CG 4.46Å; F197-L254 HydrophobicContact CG-CD2 3.93Å; F197-L254 HydrophobicContact CZ-CD2 4.4Å; I199-L254 HydrophobicContact CD1-CD1 4.32Å; E250-L254 WeakPolarHBondContact O-CB 3.44Å; E250-L254 PolarHBondContact O-N 3.01Å; I251-L254 HydrophobicContact CD1-CD2 4.27Å; I251-L254 PolarHBondContact O-N 2.83Å; L254-F258 WeakPolarHBondContact O-CB 3.4Å; L254-F258 PolarHBondContact O-N 3.01Å; L254-F312 HydrophobicContact CD1-CE1 4.25Å; L254-F312 HydrophobicContact CD2-CD1 4.33Å; L254-F312 HydrophobicContact CD2-CE1 3.87Å; L254-F312 HydrophobicContact CG-CE1 4.21Å; L254-L323 HydrophobicContact CB-CD1 4.42Å; L254-L323 HydrophobicContact CD2-CD1 3.55Å; L254-L323 HydrophobicContact CG-CD1 3.71Å
255	A	98.9	Very high	97.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.4	-45.7	-178.7	0	0	0	0	0	112.2	I251 E252 V253 F258 A259 L323 L326 V327 M330	I251-A255 VanDerWaalsContact O-CB 3.23Å; I251-A255 WeakPolarHBondContact O-CB 3.32Å; I251-A255 PolarHBondContact O-N 2.62Å; E252-A255 PolarHBondContact O-N 3.17Å; V253-A255 VanDerWaalsContact C-N 3.32Å; V253-A255 PolarHBondContact O-N 3.33Å; A255-F258 PolarHBondContact O-N 3.44Å; A255-A259 VanDerWaalsContact O-CB 3.24Å; A255-A259 WeakPolarHBondContact O-CB 3.47Å; A255-A259 PolarHBondContact O-N 3.21Å; A255-L323 HydrophobicContact CB-CG 4.26Å; A255-L326 HydrophobicContact CB-CB 3.89Å; A255-L326 HydrophobicContact CB-CD1 4Å; A255-V327 HydrophobicContact CB-CG2 4.08Å; A255-M330 VanDerWaalsContact C-CE 3.47Å; A255-M330 HydrophobicContact CB-CE 3.83Å; A255-M330 WeakPolarHBondContact O-CE 3.47Å
256	I	98.9	Very high	97.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-74	-35.4	-177.5	-164.7	171	0	0	0	112.7	V235 L239 E252 V253 A260 M330 L362 L365	V235-I256 HydrophobicContact CG1-CB 4.49Å; V235-I256 HydrophobicContact CG1-CD1 3.87Å; V235-I256 HydrophobicContact CG1-CG1 3.73Å; V235-I256 HydrophobicContact CG1-CG2 4.11Å; L239-I256 HydrophobicContact CD1-CG2 4Å; E252-I256 PolarHBondContact O-N 2.98Å; V253-I256 PolarHBondContact O-N 3.25Å; I256-A260 WeakPolarHBondContact O-CB 3.45Å; I256-A260 PolarHBondContact O-N 2.9Å; I256-M330 HydrophobicContact CB-CE 4.12Å; I256-M330 HydrophobicContact CB-SD 3.75Å; I256-M330 HydrophobicContact CD1-SD 4.15Å; I256-M330 HydrophobicContact CG1-SD 3.64Å; I256-L362 HydrophobicContact CB-CD2 4.39Å; I256-L362 HydrophobicContact CD1-CB 4.07Å; I256-L362 HydrophobicContact CD1-CD2 3.63Å; I256-L362 HydrophobicContact CD1-CG 4.45Å; I256-L365 HydrophobicContact CD1-CB 4.29Å; I256-L365 HydrophobicContact CD1-CD2 3.57Å; I256-L365 HydrophobicContact CD1-CG 4.44Å
257	V	98.9	Very high	98.3	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.006	8%	0.083	C	C	.	.	H	α-helix	trans	-64.1	-43.5	172.3	172.4	0	0	0	0	110.3	L188 T232 V253 A261	L188-V257 HydrophobicContact CD2-CG1 4.08Å; T232-V257 HydrophobicContact CG2-CG1 4.08Å; V253-V257 HydrophobicContact CG1-CG2 4.46Å; V253-V257 WeakPolarHBondContact O-CG2 3.49Å; V253-V257 PolarHBondContact O-N 3.36Å; V253-V257 VanDerWaalsContact O-N 3.13Å; V257-A261 WeakPolarHBondContact O-CB 3.41Å; V257-A261 PolarHBondContact O-N 3.29Å; V257-A261 VanDerWaalsContact O-N 3.13Å
258	F	98.9	Very high	98.6	Very high	9 Å²	9	14.8 Å²	14.8	4%	0.039	8%	0.077	C	C	.	.	H	α-helix	trans	-65.9	-46.8	176.9	-176.1	-103.9	0	0	0	111.9	F207 L254 A255 A260 A261 I262 V300 F301 M304 I311 F312 V327	F207-F258 AromaticContact CE1-CE2 3.74Å; F207-F258 HydrophobicContact CE1-CE2 3.74Å; F207-F258 HydrophobicContact CE2-CE2 4.36Å; F207-F258 AromaticContact CZ-CE2 3.46Å; F207-F258 HydrophobicContact CZ-CE2 3.46Å; F207-F258 VanDerWaalsContact CZ-CE2 3.46Å; F207-F258 AromaticContact CZ-CZ 3.91Å; F207-F258 HydrophobicContact CZ-CZ 3.91Å; L254-F258 WeakPolarHBondContact O-CB 3.4Å; L254-F258 PolarHBondContact O-N 3.01Å; A255-F258 PolarHBondContact O-N 3.44Å; F258-A260 VanDerWaalsContact C-N 3.35Å; F258-A260 PolarHBondContact O-N 2.95Å; F258-A261 WeakPolarHBondContact O-CB 3.42Å; F258-A261 PolarHBondContact O-N 2.79Å; F258-A261 VanDerWaalsContact O-N 3.13Å; F258-I262 HydrophobicContact CD1-CD1 4.18Å; F258-I262 HydrophobicContact CD1-CG1 4.46Å; F258-I262 HydrophobicContact CD1-CG2 4.5Å; F258-I262 HydrophobicContact CD2-CG2 4.29Å; F258-I262 HydrophobicContact CE1-CD1 3.7Å; F258-I262 HydrophobicContact CE1-CG1 4.34Å; F258-I262 HydrophobicContact CE1-CG2 4.19Å; F258-I262 HydrophobicContact CE2-CG2 3.97Å; F258-I262 HydrophobicContact CZ-CD1 4.31Å; F258-I262 HydrophobicContact CZ-CG2 3.91Å; F258-I262 WeakPolarHBondContact O-CG1 3.4Å; F258-I262 WeakPolarHBondContact O-CG2 3.25Å; F258-I262 PolarHBondContact O-N 3.21Å; F258-V300 HydrophobicContact CZ-CG1 3.84Å; F258-F301 HydrophobicContact CE1-CZ 4.38Å; F258-M304 HydrophobicContact CE1-CE 4.14Å; F258-M304 HydrophobicContact CE2-SD 4.27Å; F258-M304 HydrophobicContact CZ-CE 3.62Å; F258-M304 HydrophobicContact CZ-SD 3.82Å; F258-I311 HydrophobicContact CD2-CD1 3.95Å; F258-I311 HydrophobicContact CE2-CD1 3.67Å; F258-F312 HydrophobicContact CB-CZ 4.35Å; F258-F312 HydrophobicContact CD1-CE2 4.1Å; F258-F312 HydrophobicContact CD1-CZ 4.05Å; F258-F312 HydrophobicContact CD2-CE2 4.13Å; F258-F312 AromaticContact CD2-CZ 3.61Å; F258-F312 HydrophobicContact CD2-CZ 3.61Å; F258-F312 AromaticContact CE1-CE2 3.84Å; F258-F312 HydrophobicContact CE1-CE2 3.84Å; F258-F312 HydrophobicContact CE1-CZ 4.21Å; F258-F312 AromaticContact CE2-CE2 3.87Å; F258-F312 HydrophobicContact CE2-CE2 3.87Å; F258-F312 AromaticContact CE2-CZ 3.79Å; F258-F312 HydrophobicContact CE2-CZ 3.79Å; F258-F312 HydrophobicContact CG-CE2 4.23Å; F258-F312 AromaticContact CG-CZ 3.74Å; F258-F312 HydrophobicContact CG-CZ 3.74Å; F258-F312 AromaticContact CZ-CE2 3.72Å; F258-F312 HydrophobicContact CZ-CE2 3.72Å; F258-F312 HydrophobicContact CZ-CZ 4.08Å; F258-V327 HydrophobicContact CD1-CG1 4.03Å; F258-V327 HydrophobicContact CD1-CG2 3.83Å; F258-V327 HydrophobicContact CE1-CG1 4.26Å
259	A	98.9	Very high	98.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-56.9	-47.6	177.3	0	0	0	0	0	111.5	A255 A261 I262 H263 V327 M330 V331 L366	A255-A259 VanDerWaalsContact O-CB 3.24Å; A255-A259 WeakPolarHBondContact O-CB 3.47Å; A255-A259 PolarHBondContact O-N 3.21Å; A259-A261 VanDerWaalsContact C-N 3.29Å; A259-A261 PolarHBondContact O-N 3.34Å; A259-I262 PolarHBondContact O-N 3.44Å; A259-I262 VanDerWaalsContact O-N 3.14Å; A259-H263 WeakPolarHBondContact O-CB 3.42Å; A259-H263 PolarHBondContact O-N 3.37Å; A259-V327 HydrophobicContact CB-CG1 4.25Å; A259-V327 HydrophobicContact CB-CG2 4.36Å; A259-M330 HydrophobicContact CB-CB 4.06Å; A259-M330 HydrophobicContact CB-CE 3.79Å; A259-M330 HydrophobicContact CB-SD 4.37Å; A259-V331 HydrophobicContact CB-CG2 3.94Å; A259-L366 HydrophobicContact CB-CD2 4.03Å
260	A	98.9	Very high	98.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-58.1	-40.7	176	0	0	0	0	0	112.8	V231 T232 V235 I256 F258 I262 H263 L366	V231-A260 HydrophobicContact CG1-CB 4.21Å; T232-A260 HydrophobicContact CG2-CB 4.44Å; V235-A260 HydrophobicContact CB-CB 4.46Å; V235-A260 HydrophobicContact CG2-CB 3.97Å; I256-A260 WeakPolarHBondContact O-CB 3.45Å; I256-A260 PolarHBondContact O-N 2.9Å; F258-A260 VanDerWaalsContact C-N 3.35Å; F258-A260 PolarHBondContact O-N 2.95Å; A260-I262 VanDerWaalsContact C-N 3.25Å; A260-I262 PolarHBondContact O-N 2.93Å; A260-H263 PolarHBondContact O-ND1 3.21Å; A260-L366 HydrophobicContact CB-CD1 3.7Å
261	A	98.9	Very high	98.8	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.008	5%	0.053	C	C	.	.	H	α-helix	trans	-68.3	-23.3	179.9	0	0	0	0	0	113.7	L180 V184 L211 Y215 T232 V257 F258 A259	L180-A261 HydrophobicContact CD1-CB 4.19Å; V184-A261 HydrophobicContact CG2-CB 3.64Å; L211-A261 HydrophobicContact CD2-CB 4.39Å; Y215-A261 WeakPolarHBondContact CE2-O 3.07Å; Y215-A261 PolarHBondContact OH-O 3.14Å; T232-A261 WeakPolarHBondContact OG1-CA 3.37Å; T232-A261 PolarHBondContact OG1-N 2.84Å; V257-A261 WeakPolarHBondContact O-CB 3.41Å; V257-A261 PolarHBondContact O-N 3.29Å; V257-A261 VanDerWaalsContact O-N 3.13Å; F258-A261 WeakPolarHBondContact O-CB 3.42Å; F258-A261 PolarHBondContact O-N 2.79Å; F258-A261 VanDerWaalsContact O-N 3.13Å; A259-A261 VanDerWaalsContact C-N 3.29Å; A259-A261 PolarHBondContact O-N 3.34Å
262	I	98.9	Very high	98.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-113.7	-8.4	-171.3	73.3	153.6	0	0	0	114.2	F207 L211 F258 A259 A260 D264 Y265 V300 V327 V331	F207-I262 HydrophobicContact CZ-CG2 4.4Å; L211-I262 HydrophobicContact CD1-CB 4.49Å; L211-I262 HydrophobicContact CD1-CG2 3.91Å; L211-I262 HydrophobicContact CD2-CG2 4.18Å; F258-I262 HydrophobicContact CD1-CD1 4.18Å; F258-I262 HydrophobicContact CD1-CG1 4.46Å; F258-I262 HydrophobicContact CD1-CG2 4.5Å; F258-I262 HydrophobicContact CD2-CG2 4.29Å; F258-I262 HydrophobicContact CE1-CD1 3.7Å; F258-I262 HydrophobicContact CE1-CG1 4.34Å; F258-I262 HydrophobicContact CE1-CG2 4.19Å; F258-I262 HydrophobicContact CE2-CG2 3.97Å; F258-I262 HydrophobicContact CZ-CD1 4.31Å; F258-I262 HydrophobicContact CZ-CG2 3.91Å; F258-I262 WeakPolarHBondContact O-CG1 3.4Å; F258-I262 WeakPolarHBondContact O-CG2 3.25Å; F258-I262 PolarHBondContact O-N 3.21Å; A259-I262 PolarHBondContact O-N 3.44Å; A259-I262 VanDerWaalsContact O-N 3.14Å; A260-I262 VanDerWaalsContact C-N 3.25Å; A260-I262 PolarHBondContact O-N 2.93Å; I262-D264 PolarHBondContact O-N 3.35Å; I262-Y265 WeakPolarHBondContact O-CB 3.4Å; I262-Y265 PolarHBondContact O-N 3.38Å; I262-V300 HydrophobicContact CB-CB 4.5Å; I262-V300 HydrophobicContact CB-CG1 4.25Å; I262-V300 HydrophobicContact CB-CG2 4.11Å; I262-V300 HydrophobicContact CD1-CB 4.19Å; I262-V300 HydrophobicContact CD1-CG1 4.08Å; I262-V300 HydrophobicContact CG2-CG1 3.82Å; I262-V300 HydrophobicContact CG2-CG2 4.36Å; I262-V327 HydrophobicContact CD1-CG1 3.84Å; I262-V331 HydrophobicContact CG1-CG2 4.31Å
263	H	98.9	Very high	98.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-18.5	-162.6	75.5	-71.8	0	0	0	115	H227 A259 A260 H296 V331 T334 D370	H227-H263 AromaticContact CD2-CE1 3.98Å; H227-H263 AromaticContact CD2-NE2 3.95Å; H227-H263 AromaticContact NE2-CE1 3.68Å; H227-H263 AromaticContact NE2-NE2 3.31Å; H227-H263 PolarHBondContact NE2-NE2 2.96Å; A259-H263 WeakPolarHBondContact O-CB 3.42Å; A259-H263 PolarHBondContact O-N 3.37Å; A260-H263 PolarHBondContact O-ND1 3.21Å; H263-H296 WeakPolarHBondContact O-CB 3.5Å; H263-H296 PolarHBondContact O-CD2 3.31Å; H263-H296 VanDerWaalsContact O-CG 3.26Å; H263-V331 HydrophobicContact CB-CG1 4.18Å; H263-V331 HydrophobicContact CB-CG2 4.12Å; H263-T334 HydrophobicContact CB-CG2 4.46Å; H263-D370 IonicContact NE2-OD1 3.46Å
264	D	98.9	Very high	98.7	Very high	11 Å²	11	13 Å²	13	6%	0.059	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.4	17.7	-177.5	-90.1	-29.9	0	0	0	113.3	Y215 H223 H227 I262 E266 H267 H296	Y215-D264 VanDerWaalsContact CE1-C 3.44Å; Y215-D264 HydrophobicContact CE1-CB 3.64Å; Y215-D264 WeakPolarHBondContact CE1-O 3.33Å; Y215-D264 PolarHBondContact OH-N 2.64Å; H223-D264 IonicContact CD2-OD1 2.89Å; H223-D264 IonicContact CD2-OD2 2.73Å; H223-D264 PolarHBondContact CD2-OD2 3.41Å; H223-D264 VanDerWaalsContact CD2-OD2 3.32Å; H227-D264 IonicContact CD2-OD2 3.54Å; H227-D264 PolarHBondContact CD2-OD2 3.28Å; H227-D264 IonicContact NE2-OD2 3.14Å; H227-D264 PolarHBondContact NE2-OD2 3.1Å; I262-D264 PolarHBondContact O-N 3.35Å; D264-E266 PolarHBondContact O-N 3.48Å; D264-H267 HydrophobicContact CB-CB 4.49Å; D264-H267 WeakPolarHBondContact O-CB 3.45Å; D264-H267 PolarHBondContact O-N 3.06Å; D264-H267 IonicContact OD1-CD2 2.78Å; D264-H296 IonicContact OD1-NE2 2.76Å
265	Y	98.9	Very high	98.7	Very high	16 Å²	16	13.6 Å²	13.6	6%	0.063	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	126.7	-175.1	175.7	-101.2	0	0	0	112.3	L211 G214 Y215 I262 H267 H296 V300	L211-Y265 HydrophobicContact CD1-CD2 3.47Å; L211-Y265 VanDerWaalsContact CD1-CD2 3.47Å; L211-Y265 HydrophobicContact CD1-CE2 3.96Å; L211-Y265 HydrophobicContact CD1-CG 4.12Å; L211-Y265 HydrophobicContact CG-CD2 4.28Å; L211-Y265 WeakPolarHBondContact O-CE2 3.27Å; G214-Y265 VanDerWaalsContact CA-CE2 3.41Å; Y215-Y265 HydrophobicContact CD2-CD2 4.22Å; Y215-Y265 HydrophobicContact CE2-CD2 4.34Å; Y215-Y265 PolarHBondContact OH-N 3.02Å; I262-Y265 WeakPolarHBondContact O-CB 3.4Å; I262-Y265 PolarHBondContact O-N 3.38Å; Y265-H267 VanDerWaalsContact C-N 3.29Å; Y265-H267 PolarHBondContact O-N 3.43Å; Y265-H296 PolarHBondContact O-ND1 2.81Å; Y265-V300 HydrophobicContact CD1-CG2 3.31Å; Y265-V300 HydrophobicContact CD2-CG2 4.02Å; Y265-V300 HydrophobicContact CE1-CG2 3.95Å; Y265-V300 HydrophobicContact CG-CG2 3.34Å
266	E	98.9	Very high	98.7	Very high	27 Å²	27	16.5 Å²	16.5	13%	0.126	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	30.7	-173.6	-64.9	-170.9	162.5	0	0	115.2	G214 K217 Y218 D264 T268 H295	G214-E266 WeakPolarHBondContact O-CA 3.4Å; K217-E266 HydrophobicContact CD-CB 4.27Å; K217-E266 HydrophobicContact CD-CG 3.74Å; K217-E266 WeakPolarHBondContact CD-OE1 3.46Å; K217-E266 IonicContact NZ-OE1 3.22Å; K217-E266 PolarHBondContact NZ-OE1 3.15Å; K217-E266 IonicContact NZ-OE2 3.33Å; K217-E266 PolarHBondContact NZ-OE2 3.26Å; Y218-E266 HydrophobicContact CE2-CB 4.3Å; Y218-E266 VanDerWaalsContact CE2-O 3.27Å; Y218-E266 WeakPolarHBondContact CE2-O 3.12Å; D264-E266 PolarHBondContact O-N 3.48Å; E266-T268 PolarHBondContact O-N 3.04Å; E266-H295 IonicContact OE2-CE1 3.46Å; E266-H295 PolarHBondContact OE2-CE1 3.22Å; E266-H295 IonicContact OE2-NE2 3.8Å; E266-H295 PolarHBondContact OE2-NE2 3.01Å
267	H	98.9	Very high	98.6	Very high	15 Å²	15	20.3 Å²	20.3	7%	0.069	11%	0.111	C	C	.	.			trans	-52.5	138.8	169.6	-166.4	-85.6	0	0	0	111.4	Y218 N220 H223 D264 Y265 G269 H296 E391	Y218-H267 WeakPolarHBondContact CD2-O 3.33Å; N220-H267 PolarHBondContact ND2-O 3.49Å; H223-H267 HydrophobicContact CB-CB 3.72Å; H223-H267 WeakPolarHBondContact CB-ND1 3.37Å; H223-H267 AromaticContact CE1-CE1 3.85Å; H223-H267 AromaticContact CG-CE1 3.67Å; H223-H267 AromaticContact CG-CG 3.79Å; H223-H267 AromaticContact CG-ND1 3.53Å; H223-H267 AromaticContact ND1-CE1 3.43Å; H223-H267 PolarHBondContact ND1-CE1 2.67Å; H223-H267 AromaticContact ND1-ND1 3.62Å; D264-H267 HydrophobicContact CB-CB 4.49Å; D264-H267 WeakPolarHBondContact O-CB 3.45Å; D264-H267 PolarHBondContact O-N 3.06Å; D264-H267 IonicContact OD1-CD2 2.78Å; Y265-H267 VanDerWaalsContact C-N 3.29Å; Y265-H267 PolarHBondContact O-N 3.43Å; H267-G269 VanDerWaalsContact C-N 3.33Å; H267-G269 PolarHBondContact ND1-N 3.14Å; H267-G269 VanDerWaalsContact ND1-N 3.11Å; H267-G269 PolarHBondContact O-N 3.49Å; H267-H296 AromaticContact CD2-NE2 3.86Å; H267-E391 IonicContact CE1-OE1 3.4Å; H267-E391 IonicContact ND1-OE1 3.83Å
268	T	98.8	Very high	98.5	Very high	21 Å²	21	22.6 Å²	22.6	13%	0.129	13%	0.125	C	C	.	.			trans	-88.7	-1.9	-171	57.4	0	0	0	0	114.3	Y218 E266 T270 H275 L292	Y218-T268 HydrophobicContact CD2-CG2 4.45Å; Y218-T268 HydrophobicContact CE1-CG2 4.34Å; Y218-T268 HydrophobicContact CE2-CG2 3.97Å; E266-T268 PolarHBondContact O-N 3.04Å; T268-T270 PolarHBondContact OG1-N 3.29Å; T268-T270 PolarHBondContact OG1-O 3.49Å; T268-T270 PolarHBondContact OG1-OG1 2.74Å; T268-H275 WeakPolarHBondContact CG2-NE2 3.27Å; T268-H275 PolarHBondContact OG1-NE2 3.13Å; T268-L292 HydrophobicContact CG2-CD2 4.35Å
269	G	98.6	Very high	98.5	Very high	6 Å²	6	29.8 Å²	29.8	6%	0.062	16%	0.156	C	C	.	.	S	Bend	trans	73.3	18.5	-171.5	0	0	0	0	0	113.1	N220 H267 E391	N220-G269 VanDerWaalsContact OD1-CA 3.31Å; N220-G269 WeakPolarHBondContact OD1-CA 3.36Å; N220-G269 PolarHBondContact OD1-N 2.88Å; H267-G269 VanDerWaalsContact C-N 3.33Å; H267-G269 PolarHBondContact ND1-N 3.14Å; H267-G269 VanDerWaalsContact ND1-N 3.11Å; H267-G269 PolarHBondContact O-N 3.49Å; G269-E391 VanDerWaalsContact CA-OE1 3.24Å; G269-E391 WeakPolarHBondContact CA-OE1 3.34Å
270	T	98.7	Very high	98.5	Very high	7 Å²	7	31 Å²	31	4%	0.043	17%	0.165	C	C	.	.	S	Bend	trans	-142.2	152.4	179.9	58	0	0	0	0	110.2	T268 F274 H275 L292 Q395 K398	T268-T270 PolarHBondContact OG1-N 3.29Å; T268-T270 PolarHBondContact OG1-O 3.49Å; T268-T270 PolarHBondContact OG1-OG1 2.74Å; T270-F274 HydrophobicContact CG2-CD1 3.83Å; T270-F274 HydrophobicContact CG2-CE1 4Å; T270-F274 HydrophobicContact CG2-CG 4.26Å; T270-H275 PolarHBondContact OG1-NE2 2.81Å; T270-L292 VanDerWaalsContact O-CD1 3.24Å; T270-L292 WeakPolarHBondContact O-CD1 3.37Å; T270-Q395 VanDerWaalsContact CA-OE1 3.25Å; T270-Q395 HydrophobicContact CG2-CB 4.16Å; T270-Q395 HydrophobicContact CG2-CG 3.97Å; T270-K398 HydrophobicContact CG2-CD 4.17Å
271	T	98.4	Very high	98.5	Very high	46 Å²	46	39.2 Å²	39.2	28%	0.282	20%	0.203	S	C	.	.			trans	-76.1	161.4	-174.5	60.9	0	0	0	0	114	S273 F274 H275 Q395	T271-S273 PolarHBondContact O-N 3.47Å; T271-F274 WeakPolarHBondContact O-CB 3.24Å; T271-F274 PolarHBondContact O-N 2.85Å; T271-F274 PolarHBondContact OG1-N 3.42Å; T271-H275 PolarHBondContact O-CD2 2.78Å; T271-H275 PolarHBondContact O-N 2.78Å; T271-Q395 PolarHBondContact OG1-NE2 2.95Å; T271-Q395 PolarHBondContact OG1-OE1 3.08Å
272	N	98.1	Very high	98.4	Very high	25 Å²	25	40.1 Å²	40.1	13%	0.134	21%	0.209	C	C	.	.	H	α-helix	trans	-50.3	-40.5	168.2	-79.1	-25.8	0	0	0	112.4	F274 H275 I276 V291 L292 E293	N272-F274 PolarHBondContact O-N 3.08Å; N272-H275 WeakPolarHBondContact O-CB 3.47Å; N272-H275 PolarHBondContact O-N 2.66Å; N272-I276 WeakPolarHBondContact O-CD1 3.41Å; N272-I276 VanDerWaalsContact O-CG1 3.24Å; N272-I276 WeakPolarHBondContact O-CG1 3.41Å; N272-I276 PolarHBondContact O-N 3.39Å; N272-V291 WeakPolarHBondContact OD1-CB 3.49Å; N272-V291 PolarHBondContact OD1-N 3.29Å; N272-L292 WeakPolarHBondContact OD1-CB 3.26Å; N272-L292 WeakPolarHBondContact OD1-CD1 3.38Å; N272-L292 VanDerWaalsContact OD1-CG 3.25Å; N272-L292 WeakPolarHBondContact OD1-CG 3.39Å; N272-L292 PolarHBondContact OD1-N 3.32Å; N272-E293 PolarHBondContact ND2-OE1 3.34Å; N272-E293 VanDerWaalsContact ND2-OE1 3.09Å; N272-E293 PolarHBondContact ND2-OE2 3.31Å
273	S	97.2	Very high	98.4	Very high	70 Å²	70	40.1 Å²	40.1	49%	0.49	21%	0.209	S	C	.	.	H	α-helix	trans	-61.9	-43.1	177.4	-173.6	0	0	0	0	112.3	T271 I276 Q277	T271-S273 PolarHBondContact O-N 3.47Å; S273-I276 PolarHBondContact O-N 2.95Å; S273-Q277 WeakPolarHBondContact O-CB 3.47Å; S273-Q277 PolarHBondContact O-N 3.47Å
274	F	98.3	Very high	98.4	Very high	17 Å²	17	45.4 Å²	45.4	8%	0.075	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-44.3	175.8	-178.1	-89.9	0	0	0	111.2	T270 T271 N272 I276 Q277 T278 Q395 K398 E399 L402	T270-F274 HydrophobicContact CG2-CD1 3.83Å; T270-F274 HydrophobicContact CG2-CE1 4Å; T270-F274 HydrophobicContact CG2-CG 4.26Å; T271-F274 WeakPolarHBondContact O-CB 3.24Å; T271-F274 PolarHBondContact O-N 2.85Å; T271-F274 PolarHBondContact OG1-N 3.42Å; N272-F274 PolarHBondContact O-N 3.08Å; F274-I276 VanDerWaalsContact C-N 3.33Å; F274-I276 PolarHBondContact O-N 3.15Å; F274-Q277 PolarHBondContact O-N 3.08Å; F274-T278 HydrophobicContact CD1-CG2 4.18Å; F274-T278 HydrophobicContact CD2-CG2 4.35Å; F274-T278 HydrophobicContact CE1-CG2 3.81Å; F274-T278 HydrophobicContact CE2-CG2 4.01Å; F274-T278 HydrophobicContact CG-CG2 4.44Å; F274-T278 HydrophobicContact CZ-CG2 3.72Å; F274-T278 WeakPolarHBondContact O-CB 3.35Å; F274-T278 WeakPolarHBondContact O-CG2 3.44Å; F274-T278 PolarHBondContact O-N 3.03Å; F274-T278 PolarHBondContact O-OG1 3.04Å; F274-Q395 HydrophobicContact CB-CG 4.38Å; F274-Q395 HydrophobicContact CD2-CG 3.74Å; F274-Q395 HydrophobicContact CE2-CG 4.28Å; F274-Q395 HydrophobicContact CG-CG 4.13Å; F274-K398 HydrophobicContact CE2-CB 4.17Å; F274-K398 HydrophobicContact CZ-CB 4.03Å; F274-K398 HydrophobicContact CZ-CD 4.4Å; F274-E399 HydrophobicContact CD2-CG 3.73Å; F274-E399 HydrophobicContact CE2-CG 3.73Å; F274-L402 HydrophobicContact CE2-CD1 4.27Å; F274-L402 HydrophobicContact CZ-CD1 3.91Å
275	H	98.7	Very high	98.3	Very high	13 Å²	13	49.9 Å²	49.9	6%	0.06	26%	0.26	C	S	.	.	H	α-helix	trans	-57.5	-42.4	176.1	-88.4	-83.9	0	0	0	113.1	T268 T270 T271 N272 T278 K279 S280 A283 V291	T268-H275 WeakPolarHBondContact CG2-NE2 3.27Å; T268-H275 PolarHBondContact OG1-NE2 3.13Å; T270-H275 PolarHBondContact OG1-NE2 2.81Å; T271-H275 PolarHBondContact O-CD2 2.78Å; T271-H275 PolarHBondContact O-N 2.78Å; N272-H275 WeakPolarHBondContact O-CB 3.47Å; N272-H275 PolarHBondContact O-N 2.66Å; H275-T278 PolarHBondContact O-OG1 3.4Å; H275-K279 PolarHBondContact O-N 2.98Å; H275-K279 VanDerWaalsContact O-N 3.13Å; H275-S280 WeakPolarHBondContact CB-OG 3.42Å; H275-S280 WeakPolarHBondContact ND1-CB 3.48Å; H275-S280 PolarHBondContact ND1-OG 3.4Å; H275-S280 PolarHBondContact O-N 3.05Å; H275-S280 PolarHBondContact O-OG 3.27Å; H275-S280 VanDerWaalsContact O-OG 3.13Å; H275-A283 HydrophobicContact CB-CB 4.32Å; H275-A283 VanDerWaalsContact O-CB 3.26Å; H275-A283 WeakPolarHBondContact O-CB 3.48Å; H275-V291 HydrophobicContact CB-CG1 4.17Å
276	I	98.1	Very high	98.3	Very high	62 Å²	62	50.8 Å²	50.8	32%	0.318	26%	0.264	S	S	.	.	H	α-helix	trans	-69.4	-48.5	178.2	-65.7	163.9	0	0	0	110.4	N272 S273 F274 T278 K279 A283 D288 V291	N272-I276 WeakPolarHBondContact O-CD1 3.41Å; N272-I276 VanDerWaalsContact O-CG1 3.24Å; N272-I276 WeakPolarHBondContact O-CG1 3.41Å; N272-I276 PolarHBondContact O-N 3.39Å; S273-I276 PolarHBondContact O-N 2.95Å; F274-I276 VanDerWaalsContact C-N 3.33Å; F274-I276 PolarHBondContact O-N 3.15Å; I276-T278 VanDerWaalsContact C-N 3.3Å; I276-T278 PolarHBondContact O-N 3.48Å; I276-K279 PolarHBondContact O-N 3.21Å; I276-A283 HydrophobicContact CG1-CB 4.47Å; I276-D288 HydrophobicContact CD1-CB 3.95Å; I276-D288 HydrophobicContact CG1-CB 3.84Å; I276-D288 HydrophobicContact CG2-CB 4.34Å; I276-V291 HydrophobicContact CG1-CG2 4.35Å
277	Q	97	Very high	98.3	Very high	79 Å²	79	55.4 Å²	55.4	37%	0.369	29%	0.289	S	S	.	.	H	α-helix	trans	-63.5	-36.9	-177.4	-170.5	174.3	16.7	0	0	112.4	S273 F274 K279 L404	S273-Q277 WeakPolarHBondContact O-CB 3.47Å; S273-Q277 PolarHBondContact O-N 3.47Å; F274-Q277 PolarHBondContact O-N 3.08Å; Q277-K279 VanDerWaalsContact C-N 3.33Å; Q277-L404 HydrophobicContact CG-CD1 4.1Å; Q277-L404 HydrophobicContact CG-CD2 4.14Å
278	T	98	Very high	98.3	Very high	49 Å²	49	58.6 Å²	58.6	30%	0.301	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-4.9	176.8	59	0	0	0	0	113.7	F274 H275 I276 S280 L402 L404	F274-T278 HydrophobicContact CD1-CG2 4.18Å; F274-T278 HydrophobicContact CD2-CG2 4.35Å; F274-T278 HydrophobicContact CE1-CG2 3.81Å; F274-T278 HydrophobicContact CE2-CG2 4.01Å; F274-T278 HydrophobicContact CG-CG2 4.44Å; F274-T278 HydrophobicContact CZ-CG2 3.72Å; F274-T278 WeakPolarHBondContact O-CB 3.35Å; F274-T278 WeakPolarHBondContact O-CG2 3.44Å; F274-T278 PolarHBondContact O-N 3.03Å; F274-T278 PolarHBondContact O-OG1 3.04Å; H275-T278 PolarHBondContact O-OG1 3.4Å; I276-T278 VanDerWaalsContact C-N 3.3Å; I276-T278 PolarHBondContact O-N 3.48Å; T278-S280 PolarHBondContact O-N 3.17Å; T278-L402 HydrophobicContact CG2-CD1 3.81Å; T278-L404 HydrophobicContact CG2-CD1 3.96Å
279	K	98.5	Very high	98.2	Very high	160 Å²	160	66.8 Å²	66.8	70%	0.696	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	42.6	-177	-54.2	178.1	-176	178.8	0	112.2	H275 I276 Q277 I284	H275-K279 PolarHBondContact O-N 2.98Å; H275-K279 VanDerWaalsContact O-N 3.13Å; I276-K279 PolarHBondContact O-N 3.21Å; Q277-K279 VanDerWaalsContact C-N 3.33Å; K279-I284 HydrophobicContact CB-CD1 4.47Å
280	S	98.6	Very high	98.2	Very high	25 Å²	25	68.1 Å²	68.1	18%	0.175	34%	0.343	C	S	.	.			trans	-54.7	158.4	177.3	67	0	0	0	0	111.9	H275 T278 C282 A283 I284	H275-S280 WeakPolarHBondContact CB-OG 3.42Å; H275-S280 WeakPolarHBondContact ND1-CB 3.48Å; H275-S280 PolarHBondContact ND1-OG 3.4Å; H275-S280 PolarHBondContact O-N 3.05Å; H275-S280 PolarHBondContact O-OG 3.27Å; H275-S280 VanDerWaalsContact O-OG 3.13Å; T278-S280 PolarHBondContact O-N 3.17Å; S280-C282 PolarHBondContact O-N 2.92Å; S280-A283 PolarHBondContact O-N 3.39Å; S280-A283 VanDerWaalsContact O-N 3.07Å; S280-A283 WeakPolarHBondContact OG-CB 3.35Å; S280-A283 PolarHBondContact OG-N 3.47Å; S280-I284 WeakPolarHBondContact O-CG1 3.46Å; S280-I284 PolarHBondContact O-N 2.8Å; S280-I284 VanDerWaalsContact O-N 3.08Å
281	E	98.4	Very high	98.2	Very high	173 Å²	173	67.8 Å²	67.8	81%	0.808	34%	0.341	S	S	*	.	H	α-helix	trans	-53.5	-41.4	175.6	-175.4	179.8	177.8	0	0	112.1	A283 I284 L285	E281-A283 PolarHBondContact O-N 2.98Å; E281-I284 PolarHBondContact O-N 2.91Å; E281-L285 WeakPolarHBondContact O-CB 3.44Å; E281-L285 PolarHBondContact O-N 3.05Å
282	C	97.6	Very high	98.2	Very high	21 Å²	21	65.8 Å²	65.8	14%	0.142	33%	0.329	C	S	.	.	H	α-helix	trans	-61.8	-43.9	178.3	-157.4	0	0	0	0	111.9	S280 I284 L285 Y286 V291	S280-C282 PolarHBondContact O-N 2.92Å; C282-I284 PolarHBondContact O-N 3.49Å; C282-L285 PolarHBondContact O-N 2.67Å; C282-Y286 VanDerWaalsContact O-CD2 3.31Å; C282-Y286 WeakPolarHBondContact O-CD2 3.4Å; C282-Y286 PolarHBondContact O-N 2.83Å; C282-Y286 VanDerWaalsContact SG-CD2 3.58Å; C282-V291 VanDerWaalsContact C-CG1 3.46Å; C282-V291 HydrophobicContact CB-CG1 3.71Å; C282-V291 WeakPolarHBondContact SG-CG1 3.49Å; C282-V291 PolarHBondContact SG-O 3.18Å
283	A	98.5	Very high	98.3	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-64.1	-40.9	178	0	0	0	0	0	112.1	H275 I276 S280 E281 N287 D288 V291	H275-A283 HydrophobicContact CB-CB 4.32Å; H275-A283 VanDerWaalsContact O-CB 3.26Å; H275-A283 WeakPolarHBondContact O-CB 3.48Å; I276-A283 HydrophobicContact CG1-CB 4.47Å; S280-A283 PolarHBondContact O-N 3.39Å; S280-A283 VanDerWaalsContact O-N 3.07Å; S280-A283 WeakPolarHBondContact OG-CB 3.35Å; S280-A283 PolarHBondContact OG-N 3.47Å; E281-A283 PolarHBondContact O-N 2.98Å; A283-N287 WeakPolarHBondContact O-CA 3.49Å; A283-N287 PolarHBondContact O-N 3.18Å; A283-D288 PolarHBondContact O-N 3.3Å; A283-D288 VanDerWaalsContact O-N 3.1Å; A283-V291 HydrophobicContact CB-CG1 4.33Å; A283-V291 HydrophobicContact CB-CG2 4.33Å
284	I	98.6	Very high	98.3	Very high	111 Å²	111	64.4 Å²	64.4	57%	0.569	32%	0.315	S	S	*	.	H	α-helix	trans	-64.8	-42	175.1	-60.6	-58.5	0	0	0	111.2	K279 S280 E281 C282	K279-I284 HydrophobicContact CB-CD1 4.47Å; S280-I284 WeakPolarHBondContact O-CG1 3.46Å; S280-I284 PolarHBondContact O-N 2.8Å; S280-I284 VanDerWaalsContact O-N 3.08Å; E281-I284 PolarHBondContact O-N 2.91Å; C282-I284 PolarHBondContact O-N 3.49Å
285	L	98.3	Very high	98.4	Very high	105 Å²	105	65.1 Å²	65.1	55%	0.55	32%	0.319	S	S	.	.	H	α-helix	trans	-64	-43.3	179.7	-178.6	61.5	0	0	0	112.2	E281 C282 N287	E281-L285 WeakPolarHBondContact O-CB 3.44Å; E281-L285 PolarHBondContact O-N 3.05Å; C282-L285 PolarHBondContact O-N 2.67Å; L285-N287 PolarHBondContact O-ND2 3.31Å
286	Y	98.6	Very high	98.4	Very high	35 Å²	35	64.5 Å²	64.5	14%	0.137	32%	0.316	C	S	.	.	H	α-helix	trans	-99.8	10.7	-176.5	-60.8	-62	0	0	0	114.2	C282 D288 R289 V291 N294 H295 S298	C282-Y286 VanDerWaalsContact O-CD2 3.31Å; C282-Y286 WeakPolarHBondContact O-CD2 3.4Å; C282-Y286 PolarHBondContact O-N 2.83Å; C282-Y286 VanDerWaalsContact SG-CD2 3.58Å; Y286-D288 VanDerWaalsContact C-N 3.29Å; Y286-D288 PolarHBondContact O-N 2.64Å; Y286-R289 PolarHBondContact O-N 2.86Å; Y286-R289 VanDerWaalsContact O-N 3.16Å; Y286-V291 HydrophobicContact CD2-CG1 4.48Å; Y286-V291 VanDerWaalsContact CD2-O 3.26Å; Y286-V291 WeakPolarHBondContact CD2-O 3.47Å; Y286-N294 HydrophobicContact CD1-CB 3.41Å; Y286-N294 VanDerWaalsContact CD1-CB 3.41Å; Y286-N294 HydrophobicContact CD2-CB 4.04Å; Y286-N294 HydrophobicContact CE1-CB 3.58Å; Y286-N294 HydrophobicContact CE2-CB 4.18Å; Y286-N294 HydrophobicContact CG-CB 3.67Å; Y286-H295 HydrophobicContact CE2-CB 3.84Å; Y286-S298 WeakPolarHBondContact OH-CB 3.49Å; Y286-S298 PolarHBondContact OH-OG 3.44Å
287	N	98.4	Very high	98.4	Very high	124 Å²	124	62 Å²	62	66%	0.663	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	46.3	173.8	-52.9	-83.2	0	0	0	112.9	A283 L285 R289	A283-N287 WeakPolarHBondContact O-CA 3.49Å; A283-N287 PolarHBondContact O-N 3.18Å; L285-N287 PolarHBondContact O-ND2 3.31Å; N287-R289 PolarHBondContact O-N 3.26Å; N287-R289 VanDerWaalsContact O-N 3.11Å
288	D	98.2	Very high	98.5	Very high	82 Å²	82	59.9 Å²	59.9	44%	0.439	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	17.4	177.7	-52.7	-28.3	0	0	0	115.3	I276 A283 Y286	I276-D288 HydrophobicContact CD1-CB 3.95Å; I276-D288 HydrophobicContact CG1-CB 3.84Å; I276-D288 HydrophobicContact CG2-CB 4.34Å; A283-D288 PolarHBondContact O-N 3.3Å; A283-D288 VanDerWaalsContact O-N 3.1Å; Y286-D288 VanDerWaalsContact C-N 3.29Å; Y286-D288 PolarHBondContact O-N 2.64Å
289	R	98	Very high	98.5	Very high	192 Å²	192	58.5 Å²	58.5	73%	0.725	29%	0.29	S	S	*	.	S	Bend	trans	-111.7	117	179	-64.2	-62.6	-174.5	164.3	0.1	110.7	Y286 N287 V291 N294	Y286-R289 PolarHBondContact O-N 2.86Å; Y286-R289 VanDerWaalsContact O-N 3.16Å; N287-R289 PolarHBondContact O-N 3.26Å; N287-R289 VanDerWaalsContact O-N 3.11Å; R289-V291 PolarHBondContact O-N 3.11Å; R289-V291 VanDerWaalsContact O-N 3.16Å; R289-N294 PolarHBondContact O-ND2 3.48Å
290	S	97.9	Very high	98.5	Very high	34 Å²	34	50.9 Å²	50.9	24%	0.238	26%	0.257	C	S	.	.	S	Bend	trans	39.7	57.6	176.7	-51.4	0	0	0	0	111.1	L292 E293 N294 D335	S290-L292 PolarHBondContact O-N 2.85Å; S290-E293 WeakPolarHBondContact CA-OE2 3.27Å; S290-E293 WeakPolarHBondContact CB-OE2 3.44Å; S290-E293 PolarHBondContact O-N 3.43Å; S290-N294 WeakPolarHBondContact O-CB 3.21Å; S290-N294 PolarHBondContact O-N 3.36Å; S290-N294 PolarHBondContact O-ND2 3.14Å; S290-D335 WeakPolarHBondContact CA-OD2 3.48Å; S290-D335 VanDerWaalsContact CB-OD2 3.27Å; S290-D335 WeakPolarHBondContact CB-OD2 3.41Å; S290-D335 PolarHBondContact OG-OD2 2.98Å
291	V	98.8	Very high	98.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.8	-48.1	-160.5	170.6	0	0	0	0	110.5	N272 H275 I276 C282 A283 Y286 R289 H295	N272-V291 WeakPolarHBondContact OD1-CB 3.49Å; N272-V291 PolarHBondContact OD1-N 3.29Å; H275-V291 HydrophobicContact CB-CG1 4.17Å; I276-V291 HydrophobicContact CG1-CG2 4.35Å; C282-V291 VanDerWaalsContact C-CG1 3.46Å; C282-V291 HydrophobicContact CB-CG1 3.71Å; C282-V291 WeakPolarHBondContact SG-CG1 3.49Å; C282-V291 PolarHBondContact SG-O 3.18Å; A283-V291 HydrophobicContact CB-CG1 4.33Å; A283-V291 HydrophobicContact CB-CG2 4.33Å; Y286-V291 HydrophobicContact CD2-CG1 4.48Å; Y286-V291 VanDerWaalsContact CD2-O 3.26Å; Y286-V291 WeakPolarHBondContact CD2-O 3.47Å; R289-V291 PolarHBondContact O-N 3.11Å; R289-V291 VanDerWaalsContact O-N 3.16Å; V291-H295 PolarHBondContact O-N 3.14Å
292	L	98.9	Very high	98.6	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-71.4	-45.4	179	-72.9	163.7	0	0	0	111.2	T268 T270 N272 S290 N294 H295 H296	T268-L292 HydrophobicContact CG2-CD2 4.35Å; T270-L292 VanDerWaalsContact O-CD1 3.24Å; T270-L292 WeakPolarHBondContact O-CD1 3.37Å; N272-L292 WeakPolarHBondContact OD1-CB 3.26Å; N272-L292 WeakPolarHBondContact OD1-CD1 3.38Å; N272-L292 VanDerWaalsContact OD1-CG 3.25Å; N272-L292 WeakPolarHBondContact OD1-CG 3.39Å; N272-L292 PolarHBondContact OD1-N 3.32Å; S290-L292 PolarHBondContact O-N 2.85Å; L292-N294 VanDerWaalsContact C-N 3.32Å; L292-N294 PolarHBondContact O-N 3.33Å; L292-H295 CarbonylContact O-C 3.56Å; L292-H295 WeakPolarHBondContact O-CA 3.43Å; L292-H295 VanDerWaalsContact O-CB 3.24Å; L292-H295 WeakPolarHBondContact O-CB 3.4Å; L292-H295 PolarHBondContact O-N 3.43Å; L292-H296 WeakPolarHBondContact CB-NE2 3.22Å; L292-H296 PolarHBondContact O-CD2 2.96Å; L292-H296 PolarHBondContact O-CE1 3.35Å; L292-H296 PolarHBondContact O-N 3.23Å; L292-H296 PolarHBondContact O-ND1 2.99Å; L292-H296 PolarHBondContact O-NE2 2.62Å
293	E	98.9	Very high	98.6	Very high	19 Å²	19	50.4 Å²	50.4	9%	0.089	24%	0.244	C	C	.	.	H	α-helix	trans	-62.8	-40.7	-176.8	-57.6	76.6	-165.6	0	0	111.3	N272 S290 H295 H296 I297 L332 D335	N272-E293 PolarHBondContact ND2-OE1 3.34Å; N272-E293 VanDerWaalsContact ND2-OE1 3.09Å; N272-E293 PolarHBondContact ND2-OE2 3.31Å; S290-E293 WeakPolarHBondContact CA-OE2 3.27Å; S290-E293 WeakPolarHBondContact CB-OE2 3.44Å; S290-E293 PolarHBondContact O-N 3.43Å; E293-H295 VanDerWaalsContact C-N 3.33Å; E293-H295 PolarHBondContact O-N 2.86Å; E293-H296 PolarHBondContact O-N 3.49Å; E293-I297 VanDerWaalsContact O-CD1 3.3Å; E293-I297 WeakPolarHBondContact O-CD1 3.34Å; E293-I297 VanDerWaalsContact O-CG1 3.26Å; E293-I297 WeakPolarHBondContact O-CG1 3.3Å; E293-I297 PolarHBondContact O-N 3.35Å; E293-L332 HydrophobicContact CB-CD2 4.07Å; E293-D335 HydrophobicContact CG-CB 3.91Å
294	N	98.9	Very high	98.6	Very high	47 Å²	47	50.8 Å²	50.8	25%	0.251	25%	0.246	S	C	.	.	H	α-helix	trans	-62.6	-39.1	170.9	-81.8	-71.7	0	0	0	112.3	Y286 R289 S290 L292 S298	Y286-N294 HydrophobicContact CD1-CB 3.41Å; Y286-N294 VanDerWaalsContact CD1-CB 3.41Å; Y286-N294 HydrophobicContact CD2-CB 4.04Å; Y286-N294 HydrophobicContact CE1-CB 3.58Å; Y286-N294 HydrophobicContact CE2-CB 4.18Å; Y286-N294 HydrophobicContact CG-CB 3.67Å; R289-N294 PolarHBondContact O-ND2 3.48Å; S290-N294 WeakPolarHBondContact O-CB 3.21Å; S290-N294 PolarHBondContact O-N 3.36Å; S290-N294 PolarHBondContact O-ND2 3.14Å; L292-N294 VanDerWaalsContact C-N 3.32Å; L292-N294 PolarHBondContact O-N 3.33Å; N294-S298 WeakPolarHBondContact O-CB 3.47Å; N294-S298 PolarHBondContact O-N 3.42Å
295	H	98.9	Very high	98.5	Very high	33 Å²	33	52.6 Å²	52.6	15%	0.153	25%	0.252	C	S	.	.	H	α-helix	trans	-63.2	-46.9	176.4	-178.3	72	0	0	0	112.4	E266 Y286 V291 L292 E293 I297 S298 S299	E266-H295 IonicContact OE2-CE1 3.46Å; E266-H295 PolarHBondContact OE2-CE1 3.22Å; E266-H295 IonicContact OE2-NE2 3.8Å; E266-H295 PolarHBondContact OE2-NE2 3.01Å; Y286-H295 HydrophobicContact CE2-CB 3.84Å; V291-H295 PolarHBondContact O-N 3.14Å; L292-H295 CarbonylContact O-C 3.56Å; L292-H295 WeakPolarHBondContact O-CA 3.43Å; L292-H295 VanDerWaalsContact O-CB 3.24Å; L292-H295 WeakPolarHBondContact O-CB 3.4Å; L292-H295 PolarHBondContact O-N 3.43Å; E293-H295 VanDerWaalsContact C-N 3.33Å; E293-H295 PolarHBondContact O-N 2.86Å; H295-I297 VanDerWaalsContact C-N 3.34Å; H295-I297 PolarHBondContact O-N 2.82Å; H295-S298 PolarHBondContact O-N 3.24Å; H295-S299 PolarHBondContact CE1-OG 3.23Å; H295-S299 PolarHBondContact ND1-OG 3.36Å; H295-S299 PolarHBondContact NE2-OG 3.23Å; H295-S299 WeakPolarHBondContact O-CB 3.39Å; H295-S299 PolarHBondContact O-N 2.85Å; H295-S299 PolarHBondContact O-OG 3.1Å
296	H	98.9	Very high	98.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-54.7	-51.9	-180	-55.1	-33.9	0	0	0	110.3	H263 D264 Y265 H267 L292 E293 V300 V331	H263-H296 WeakPolarHBondContact O-CB 3.5Å; H263-H296 PolarHBondContact O-CD2 3.31Å; H263-H296 VanDerWaalsContact O-CG 3.26Å; D264-H296 IonicContact OD1-NE2 2.76Å; Y265-H296 PolarHBondContact O-ND1 2.81Å; H267-H296 AromaticContact CD2-NE2 3.86Å; L292-H296 WeakPolarHBondContact CB-NE2 3.22Å; L292-H296 PolarHBondContact O-CD2 2.96Å; L292-H296 PolarHBondContact O-CE1 3.35Å; L292-H296 PolarHBondContact O-N 3.23Å; L292-H296 PolarHBondContact O-ND1 2.99Å; L292-H296 PolarHBondContact O-NE2 2.62Å; E293-H296 PolarHBondContact O-N 3.49Å; H296-V300 WeakPolarHBondContact O-CG2 3.35Å; H296-V300 PolarHBondContact O-N 3.35Å; H296-V331 HydrophobicContact CB-CG1 4.4Å
297	I	98.9	Very high	98.2	Very high	8 Å²	8	55.5 Å²	55.5	4%	0.041	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-57.2	177.6	-60.9	161.4	0	0	0	110.9	E293 H295 S299 V300 F301 I328 V331 L332	E293-I297 VanDerWaalsContact O-CD1 3.3Å; E293-I297 WeakPolarHBondContact O-CD1 3.34Å; E293-I297 VanDerWaalsContact O-CG1 3.26Å; E293-I297 WeakPolarHBondContact O-CG1 3.3Å; E293-I297 PolarHBondContact O-N 3.35Å; H295-I297 VanDerWaalsContact C-N 3.34Å; H295-I297 PolarHBondContact O-N 2.82Å; I297-S299 VanDerWaalsContact C-N 3.31Å; I297-S299 PolarHBondContact O-N 3.31Å; I297-V300 PolarHBondContact O-N 3.1Å; I297-F301 HydrophobicContact CG2-CD2 3.79Å; I297-F301 HydrophobicContact CG2-CE2 4Å; I297-F301 VanDerWaalsContact O-CD2 3.31Å; I297-F301 WeakPolarHBondContact O-CD2 3.5Å; I297-F301 PolarHBondContact O-N 3.34Å; I297-I328 HydrophobicContact CD1-CG2 4.49Å; I297-I328 HydrophobicContact CG2-CG1 3.77Å; I297-V331 HydrophobicContact CD1-CB 3.81Å; I297-V331 HydrophobicContact CD1-CG1 3.87Å; I297-V331 HydrophobicContact CG1-CB 3.65Å; I297-V331 HydrophobicContact CG1-CG1 3.53Å; I297-V331 HydrophobicContact CG1-CG2 4.33Å; I297-L332 HydrophobicContact CD1-CD2 4.02Å; I297-L332 HydrophobicContact CD1-CG 3.8Å
298	S	98.8	Very high	98.1	Very high	35 Å²	35	55.7 Å²	55.7	25%	0.245	27%	0.267	C	S	.	.	H	α-helix	trans	-58.4	-44.3	-171.9	178.2	0	0	0	0	111.7	Y286 N294 H295 R302	Y286-S298 WeakPolarHBondContact OH-CB 3.49Å; Y286-S298 PolarHBondContact OH-OG 3.44Å; N294-S298 WeakPolarHBondContact O-CB 3.47Å; N294-S298 PolarHBondContact O-N 3.42Å; H295-S298 PolarHBondContact O-N 3.24Å; S298-R302 VanDerWaalsContact O-CB 3.29Å; S298-R302 WeakPolarHBondContact O-CB 3.24Å; S298-R302 PolarHBondContact O-N 3.35Å
299	S	98.8	Very high	98	Very high	21 Å²	21	52.8 Å²	52.8	15%	0.147	25%	0.252	C	S	.	.	H	α-helix	trans	-71.1	-39	-176.6	-61.1	0	0	0	0	112.4	H295 I297 R302 L303	H295-S299 PolarHBondContact CE1-OG 3.23Å; H295-S299 PolarHBondContact ND1-OG 3.36Å; H295-S299 PolarHBondContact NE2-OG 3.23Å; H295-S299 WeakPolarHBondContact O-CB 3.39Å; H295-S299 PolarHBondContact O-N 2.85Å; H295-S299 PolarHBondContact O-OG 3.1Å; I297-S299 VanDerWaalsContact C-N 3.31Å; I297-S299 PolarHBondContact O-N 3.31Å; S299-R302 WeakPolarHBondContact O-CB 3.46Å; S299-R302 PolarHBondContact O-N 3.47Å; S299-L303 PolarHBondContact O-N 3.01Å
300	V	98.9	Very high	98	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-70.7	-41.3	176.5	173.8	0	0	0	0	111.9	F207 L211 F258 I262 Y265 H296 I297 R302 L303 M304	F207-V300 HydrophobicContact CE2-CG1 3.86Å; F207-V300 HydrophobicContact CZ-CG1 3.81Å; L211-V300 HydrophobicContact CD1-CG1 4.49Å; L211-V300 HydrophobicContact CD1-CG2 3.91Å; F258-V300 HydrophobicContact CZ-CG1 3.84Å; I262-V300 HydrophobicContact CB-CB 4.5Å; I262-V300 HydrophobicContact CB-CG1 4.25Å; I262-V300 HydrophobicContact CB-CG2 4.11Å; I262-V300 HydrophobicContact CD1-CB 4.19Å; I262-V300 HydrophobicContact CD1-CG1 4.08Å; I262-V300 HydrophobicContact CG2-CG1 3.82Å; I262-V300 HydrophobicContact CG2-CG2 4.36Å; Y265-V300 HydrophobicContact CD1-CG2 3.31Å; Y265-V300 HydrophobicContact CD2-CG2 4.02Å; Y265-V300 HydrophobicContact CE1-CG2 3.95Å; Y265-V300 HydrophobicContact CG-CG2 3.34Å; H296-V300 WeakPolarHBondContact O-CG2 3.35Å; H296-V300 PolarHBondContact O-N 3.35Å; I297-V300 PolarHBondContact O-N 3.1Å; V300-R302 PolarHBondContact O-N 2.91Å; V300-L303 VanDerWaalsContact O-CB 3.29Å; V300-L303 WeakPolarHBondContact O-CB 3.31Å; V300-L303 PolarHBondContact O-N 3.48Å; V300-L303 VanDerWaalsContact O-N 3.16Å; V300-M304 HydrophobicContact CG1-CE 4.39Å; V300-M304 PolarHBondContact O-N 3.33Å; V300-M304 VanDerWaalsContact O-N 3.15Å
301	F	98.8	Very high	98	Very high	20 Å²	20	43.6 Å²	43.6	9%	0.088	21%	0.214	C	C	.	.	H	α-helix	trans	-67.5	-27.5	174.2	-82.4	-80.2	0	0	0	112.8	F258 I297 M304 F320 R324 V327	F258-F301 HydrophobicContact CE1-CZ 4.38Å; I297-F301 HydrophobicContact CG2-CD2 3.79Å; I297-F301 HydrophobicContact CG2-CE2 4Å; I297-F301 VanDerWaalsContact O-CD2 3.31Å; I297-F301 WeakPolarHBondContact O-CD2 3.5Å; I297-F301 PolarHBondContact O-N 3.34Å; F301-M304 HydrophobicContact CB-CE 4.43Å; F301-M304 HydrophobicContact CD1-CE 3.37Å; F301-M304 HydrophobicContact CE1-CE 3.71Å; F301-M304 HydrophobicContact CG-CE 3.89Å; F301-M304 HydrophobicContact CZ-CE 4.46Å; F301-F320 HydrophobicContact CD1-CZ 4.33Å; F301-F320 HydrophobicContact CE1-CE2 4.27Å; F301-F320 HydrophobicContact CE1-CZ 4.16Å; F301-R324 HydrophobicContact CE1-CB 4.18Å; F301-R324 HydrophobicContact CE1-CG 3.98Å; F301-R324 HydrophobicContact CE2-CG 4.48Å; F301-R324 HydrophobicContact CZ-CB 4.13Å; F301-R324 HydrophobicContact CZ-CG 3.88Å; F301-V327 HydrophobicContact CE2-CB 4.47Å; F301-V327 HydrophobicContact CE2-CG1 3.9Å; F301-V327 HydrophobicContact CZ-CB 4.37Å; F301-V327 HydrophobicContact CZ-CG1 4.18Å
302	R	98.7	Very high	98	Very high	151 Å²	151	43.9 Å²	43.9	57%	0.57	22%	0.215	S	C	*	.	H	α-helix	trans	-69.3	-40.3	169.3	-174	-171.8	-52.9	-81.6	-4.8	111.7	S298 S299 V300 M304 Q305	S298-R302 VanDerWaalsContact O-CB 3.29Å; S298-R302 WeakPolarHBondContact O-CB 3.24Å; S298-R302 PolarHBondContact O-N 3.35Å; S299-R302 WeakPolarHBondContact O-CB 3.46Å; S299-R302 PolarHBondContact O-N 3.47Å; V300-R302 PolarHBondContact O-N 2.91Å; R302-M304 VanDerWaalsContact C-N 3.27Å; R302-M304 PolarHBondContact O-N 3.06Å; R302-Q305 VanDerWaalsContact O-CB 3.26Å; R302-Q305 WeakPolarHBondContact O-CB 3.42Å; R302-Q305 PolarHBondContact O-N 2.87Å
303	L	97.9	Very high	98	Very high	37 Å²	37	47.3 Å²	47.3	19%	0.194	23%	0.233	C	C	.	.	H	α-helix	trans	-55.8	-44	175.9	-174.5	68.2	0	0	0	111.1	F207 A210 S299 V300 Q305 D306 L309	F207-L303 HydrophobicContact CD2-CD2 4.16Å; F207-L303 HydrophobicContact CE2-CD2 4.09Å; A210-L303 HydrophobicContact CB-CD1 4.22Å; A210-L303 HydrophobicContact CB-CD2 3.9Å; S299-L303 PolarHBondContact O-N 3.01Å; V300-L303 VanDerWaalsContact O-CB 3.29Å; V300-L303 WeakPolarHBondContact O-CB 3.31Å; V300-L303 PolarHBondContact O-N 3.48Å; V300-L303 VanDerWaalsContact O-N 3.16Å; L303-Q305 PolarHBondContact O-N 3.28Å; L303-Q305 VanDerWaalsContact O-N 3.15Å; L303-D306 PolarHBondContact O-N 3.27Å; L303-L309 HydrophobicContact CD1-CD1 3.36Å; L303-L309 HydrophobicContact CD2-CD1 4.45Å; L303-L309 HydrophobicContact CG-CD1 3.6Å
304	M	98.4	Very high	97.9	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.039	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	1.8	177.4	-62.8	-174	-68.9	0	0	114.8	F207 F258 V300 F301 R302 D306 N310 I311 F312	F207-M304 HydrophobicContact CD2-CG 3.85Å; F207-M304 HydrophobicContact CD2-SD 4.47Å; F207-M304 HydrophobicContact CE2-CG 3.65Å; F207-M304 HydrophobicContact CE2-SD 4.01Å; F258-M304 HydrophobicContact CE1-CE 4.14Å; F258-M304 HydrophobicContact CE2-SD 4.27Å; F258-M304 HydrophobicContact CZ-CE 3.62Å; F258-M304 HydrophobicContact CZ-SD 3.82Å; V300-M304 HydrophobicContact CG1-CE 4.39Å; V300-M304 PolarHBondContact O-N 3.33Å; V300-M304 VanDerWaalsContact O-N 3.15Å; F301-M304 HydrophobicContact CB-CE 4.43Å; F301-M304 HydrophobicContact CD1-CE 3.37Å; F301-M304 HydrophobicContact CE1-CE 3.71Å; F301-M304 HydrophobicContact CG-CE 3.89Å; F301-M304 HydrophobicContact CZ-CE 4.46Å; R302-M304 VanDerWaalsContact C-N 3.27Å; R302-M304 PolarHBondContact O-N 3.06Å; M304-D306 VanDerWaalsContact C-N 3.27Å; M304-N310 WeakPolarHBondContact O-CB 3.36Å; M304-I311 HydrophobicContact SD-CG1 3.96Å; M304-F312 HydrophobicContact CE-CD2 4.12Å; M304-F312 HydrophobicContact CE-CE2 4.03Å; M304-F312 HydrophobicContact SD-CD2 3.74Å; M304-F312 HydrophobicContact SD-CE2 3.79Å
305	Q	97.8	Very high	97.9	Very high	149 Å²	149	49.1 Å²	49.1	70%	0.696	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-17.8	167.9	-63.2	-170.9	-44.5	0	0	112.1	R302 L303	R302-Q305 VanDerWaalsContact O-CB 3.26Å; R302-Q305 WeakPolarHBondContact O-CB 3.42Å; R302-Q305 PolarHBondContact O-N 2.87Å; L303-Q305 PolarHBondContact O-N 3.28Å; L303-Q305 VanDerWaalsContact O-N 3.15Å
306	D	96.6	Very high	97.9	Very high	88 Å²	88	51.2 Å²	51.2	47%	0.471	26%	0.258	S	S	.	.	S	Bend	trans	-71.9	122.9	162.7	-167.8	-28.7	0	0	0	108.6	L303 M304 E308 L309 N310	L303-D306 PolarHBondContact O-N 3.27Å; M304-D306 VanDerWaalsContact C-N 3.27Å; D306-E308 PolarHBondContact O-N 3.47Å; D306-E308 PolarHBondContact OD1-N 3.39Å; D306-E308 VanDerWaalsContact OD1-N 3.13Å; D306-L309 HydrophobicContact CB-CB 4.32Å; D306-L309 HydrophobicContact CB-CD1 4.11Å; D306-L309 HydrophobicContact CB-CG 4.1Å; D306-L309 CarbonylContact O-C 3.58Å; D306-L309 PolarHBondContact O-N 3.07Å; D306-N310 PolarHBondContact O-N 3.36Å; D306-N310 VanDerWaalsContact O-N 3.13Å
307	D	93.8	Very high	97.8	Very high	113 Å²	113	58.2 Å²	58.2	60%	0.604	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-58.4	-31.7	-176.6	-74.7	-30.8	0	0	0	111.9	F203 L309 N310	F203-D307 WeakPolarHBondContact CD2-O 3.33Å; F203-D307 VanDerWaalsContact CE2-O 3.24Å; F203-D307 WeakPolarHBondContact CE2-O 3.43Å; D307-L309 PolarHBondContact O-N 2.95Å; D307-N310 PolarHBondContact O-N 3.27Å
308	E	94.9	Very high	97.8	Very high	129 Å²	129	61.5 Å²	61.5	60%	0.603	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-73.3	-15.7	178.3	-63.8	-169.7	173.2	0	0	113.3	F203 D306	F203-E308 VanDerWaalsContact CA-O 3.32Å; F203-E308 WeakPolarHBondContact CA-O 3.41Å; F203-E308 WeakPolarHBondContact CB-O 3.4Å; F203-E308 WeakPolarHBondContact CD1-O 3.43Å; D306-E308 PolarHBondContact O-N 3.47Å; D306-E308 PolarHBondContact OD1-N 3.39Å; D306-E308 VanDerWaalsContact OD1-N 3.13Å
309	L	97.2	Very high	97.8	Very high	21 Å²	21	61.4 Å²	61.4	11%	0.11	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-109	-1.1	178.9	-52.6	-178.7	0	0	0	112.2	S206 A210 L303 D306 D307 I311	S206-L309 VanDerWaalsContact C-CD2 3.45Å; S206-L309 WeakPolarHBondContact O-CD2 3.31Å; A210-L309 HydrophobicContact CB-CD1 4.34Å; L303-L309 HydrophobicContact CD1-CD1 3.36Å; L303-L309 HydrophobicContact CD2-CD1 4.45Å; L303-L309 HydrophobicContact CG-CD1 3.6Å; D306-L309 HydrophobicContact CB-CB 4.32Å; D306-L309 HydrophobicContact CB-CD1 4.11Å; D306-L309 HydrophobicContact CB-CG 4.1Å; D306-L309 CarbonylContact O-C 3.58Å; D306-L309 PolarHBondContact O-N 3.07Å; D307-L309 PolarHBondContact O-N 2.95Å; L309-I311 PolarHBondContact O-N 3.05Å
310	N	98.1	Very high	97.8	Very high	29 Å²	29	63.7 Å²	63.7	16%	0.155	31%	0.309	C	S	.	.			trans	-80.4	81.4	-176.7	-169.6	-5.9	0	0	0	111.9	M304 D306 D307 F312 I313	M304-N310 WeakPolarHBondContact O-CB 3.36Å; D306-N310 PolarHBondContact O-N 3.36Å; D306-N310 VanDerWaalsContact O-N 3.13Å; D307-N310 PolarHBondContact O-N 3.27Å; N310-F312 PolarHBondContact O-N 3.22Å; N310-F312 VanDerWaalsContact O-N 3.12Å; N310-F312 PolarHBondContact OD1-N 3.4Å; N310-I313 HydrophobicContact CB-CB 4.36Å; N310-I313 WeakPolarHBondContact O-CB 3.48Å; N310-I313 WeakPolarHBondContact O-CG2 3.31Å; N310-I313 PolarHBondContact O-N 2.99Å; N310-I313 PolarHBondContact OD1-N 3.47Å
311	I	98.4	Very high	97.7	Very high	3 Å²	3	67 Å²	67	2%	0.015	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.7	179.1	64.6	168.9	0	0	0	113.7	I199 L204 F207 F258 M304 L309	I199-I311 HydrophobicContact CG2-CB 4.02Å; L204-I311 HydrophobicContact CB-CG2 4.32Å; L204-I311 HydrophobicContact CD1-CD1 4.44Å; L204-I311 HydrophobicContact CD1-CG2 4.12Å; F207-I311 HydrophobicContact CB-CG2 3.53Å; F207-I311 HydrophobicContact CD1-CD1 4.02Å; F207-I311 HydrophobicContact CD1-CG2 4.09Å; F207-I311 HydrophobicContact CE1-CD1 4.07Å; F207-I311 HydrophobicContact CG-CD1 4.48Å; F207-I311 HydrophobicContact CG-CG2 3.79Å; F258-I311 HydrophobicContact CD2-CD1 3.95Å; F258-I311 HydrophobicContact CE2-CD1 3.67Å; M304-I311 HydrophobicContact SD-CG1 3.96Å; L309-I311 PolarHBondContact O-N 3.05Å
312	F	98.4	Very high	97.7	Very high	6 Å²	6	70 Å²	70	3%	0.026	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	12.2	-178.8	-58.5	-41.8	0	0	0	113.7	L254 F258 M304 N310 N314 L315 F320 L323	L254-F312 HydrophobicContact CD1-CE1 4.25Å; L254-F312 HydrophobicContact CD2-CD1 4.33Å; L254-F312 HydrophobicContact CD2-CE1 3.87Å; L254-F312 HydrophobicContact CG-CE1 4.21Å; F258-F312 HydrophobicContact CB-CZ 4.35Å; F258-F312 HydrophobicContact CD1-CE2 4.1Å; F258-F312 HydrophobicContact CD1-CZ 4.05Å; F258-F312 HydrophobicContact CD2-CE2 4.13Å; F258-F312 AromaticContact CD2-CZ 3.61Å; F258-F312 HydrophobicContact CD2-CZ 3.61Å; F258-F312 AromaticContact CE1-CE2 3.84Å; F258-F312 HydrophobicContact CE1-CE2 3.84Å; F258-F312 HydrophobicContact CE1-CZ 4.21Å; F258-F312 AromaticContact CE2-CE2 3.87Å; F258-F312 HydrophobicContact CE2-CE2 3.87Å; F258-F312 AromaticContact CE2-CZ 3.79Å; F258-F312 HydrophobicContact CE2-CZ 3.79Å; F258-F312 HydrophobicContact CG-CE2 4.23Å; F258-F312 AromaticContact CG-CZ 3.74Å; F258-F312 HydrophobicContact CG-CZ 3.74Å; F258-F312 AromaticContact CZ-CE2 3.72Å; F258-F312 HydrophobicContact CZ-CE2 3.72Å; F258-F312 HydrophobicContact CZ-CZ 4.08Å; M304-F312 HydrophobicContact CE-CD2 4.12Å; M304-F312 HydrophobicContact CE-CE2 4.03Å; M304-F312 HydrophobicContact SD-CD2 3.74Å; M304-F312 HydrophobicContact SD-CE2 3.79Å; N310-F312 PolarHBondContact O-N 3.22Å; N310-F312 VanDerWaalsContact O-N 3.12Å; N310-F312 PolarHBondContact OD1-N 3.4Å; F312-N314 PolarHBondContact O-N 2.98Å; F312-L315 HydrophobicContact CB-CD1 3.79Å; F312-L315 HydrophobicContact CB-CG 4.06Å; F312-L315 HydrophobicContact CD1-CD1 3.9Å; F312-L315 HydrophobicContact CD1-CG 4.41Å; F312-L315 HydrophobicContact CG-CD1 3.95Å; F312-L315 WeakPolarHBondContact O-CB 3.3Å; F312-L315 PolarHBondContact O-N 2.94Å; F312-F320 HydrophobicContact CB-CD2 4.05Å; F312-F320 HydrophobicContact CB-CE2 4.3Å; F312-F320 HydrophobicContact CD2-CE2 4.27Å; F312-L323 HydrophobicContact CD1-CD1 4.35Å; F312-L323 HydrophobicContact CD2-CD2 4.05Å; F312-L323 HydrophobicContact CE1-CD1 3.93Å; F312-L323 HydrophobicContact CE2-CD1 4.4Å; F312-L323 HydrophobicContact CE2-CD2 3.64Å; F312-L323 HydrophobicContact CZ-CD1 3.94Å; F312-L323 HydrophobicContact CZ-CD2 3.94Å
313	I	98.1	Very high	97.7	Very high	77 Å²	77	62.8 Å²	62.8	40%	0.395	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-29.5	-177.6	-171.1	61.6	0	0	0	114.2	P200 F203 N310	P200-I313 HydrophobicContact CG-CG2 4.02Å; F203-I313 HydrophobicContact CD2-CG2 4.25Å; F203-I313 HydrophobicContact CE2-CG2 4.24Å; N310-I313 HydrophobicContact CB-CB 4.36Å; N310-I313 WeakPolarHBondContact O-CB 3.48Å; N310-I313 WeakPolarHBondContact O-CG2 3.31Å; N310-I313 PolarHBondContact O-N 2.99Å; N310-I313 PolarHBondContact OD1-N 3.47Å
314	N	97.6	Very high	97.8	Very high	83 Å²	83	65.4 Å²	65.4	44%	0.444	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	1.2	-177	-69.8	-42.5	0	0	0	114.2	K198 F312	K198-N314 HydrophobicContact CB-CB 4.01Å; K198-N314 PolarHBondContact O-ND2 3.42Å; F312-N314 PolarHBondContact O-N 2.98Å
315	L	98.4	Very high	97.8	Very high	21 Å²	21	67.8 Å²	67.8	11%	0.11	35%	0.345	C	S	.	.	S	Bend	trans	-66.5	145.4	171.2	-67.9	-172.2	0	0	0	110.2	F197 I251 F312 E319 F320 L323	F197-L315 HydrophobicContact CB-CD2 3.82Å; F197-L315 HydrophobicContact CD1-CD2 3.22Å; F197-L315 HydrophobicContact CE1-CD2 3.99Å; F197-L315 HydrophobicContact CG-CD2 3.76Å; I251-L315 HydrophobicContact CD1-CD1 4.27Å; I251-L315 HydrophobicContact CD1-CD2 4.35Å; F312-L315 HydrophobicContact CB-CD1 3.79Å; F312-L315 HydrophobicContact CB-CG 4.06Å; F312-L315 HydrophobicContact CD1-CD1 3.9Å; F312-L315 HydrophobicContact CD1-CG 4.41Å; F312-L315 HydrophobicContact CG-CD1 3.95Å; F312-L315 WeakPolarHBondContact O-CB 3.3Å; F312-L315 PolarHBondContact O-N 2.94Å; L315-E319 HydrophobicContact CB-CB 4.19Å; L315-E319 HydrophobicContact CD2-CB 4.26Å; L315-F320 HydrophobicContact CB-CB 4.25Å; L315-F320 HydrophobicContact CD1-CB 4.37Å; L315-F320 HydrophobicContact CD1-CD2 4.46Å; L315-L323 HydrophobicContact CD1-CD1 4.08Å
316	T	98.4	Very high	97.9	Very high	77 Å²	77	61.4 Å²	61.4	47%	0.472	32%	0.315	S	S	.	.			trans	-64.6	158.6	164.6	63.8	0	0	0	0	110.1	D318 E319 F320	T316-D318 PolarHBondContact O-N 2.89Å; T316-E319 WeakPolarHBondContact CB-OE2 3.49Å; T316-E319 WeakPolarHBondContact CG2-OE2 3.43Å; T316-E319 PolarHBondContact N-OE2 3.43Å; T316-E319 PolarHBondContact O-N 3.02Å; T316-E319 WeakPolarHBondContact OG1-CB 3.32Å; T316-E319 VanDerWaalsContact OG1-CD 3.3Å; T316-E319 VanDerWaalsContact OG1-CG 3.24Å; T316-E319 WeakPolarHBondContact OG1-CG 3.12Å; T316-E319 PolarHBondContact OG1-N 3.25Å; T316-E319 PolarHBondContact OG1-OE2 2.89Å; T316-F320 PolarHBondContact O-N 3.36Å
317	K	97.3	Very high	98	Very high	147 Å²	147	57.2 Å²	57.2	64%	0.639	29%	0.293	S	S	*	.	H	α-helix	trans	-55.8	-41.4	176.6	-174.9	-179.6	178.6	-179.8	0	112.1	V321	K317-V321 WeakPolarHBondContact O-CB 3.26Å; K317-V321 VanDerWaalsContact O-CG2 3.24Å; K317-V321 WeakPolarHBondContact O-CG2 3.29Å; K317-V321 PolarHBondContact O-N 2.68Å
318	D	98.1	Very high	98.2	Very high	76 Å²	76	54.2 Å²	54.2	41%	0.406	28%	0.276	S	S	.	.	H	α-helix	trans	-65.9	-46.4	179.9	-67.4	-4.9	0	0	0	110.5	K112 T316 F320 V321 E322	K112-D318 IonicContact NZ-OD2 3.14Å; K112-D318 PolarHBondContact NZ-OD2 3.42Å; T316-D318 PolarHBondContact O-N 2.89Å; D318-F320 PolarHBondContact O-N 3.21Å; D318-V321 PolarHBondContact O-N 3.2Å; D318-E322 PolarHBondContact O-N 3.13Å
319	E	98.6	Very high	98.4	Very high	34 Å²	34	51.9 Å²	51.9	16%	0.159	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-43	176.4	-75	165.2	143.5	0	0	112	R196 I251 L315 T316 E322 L323	R196-E319 IonicContact CZ-OE1 3.56Å; R196-E319 IonicContact NH1-OE1 3.3Å; R196-E319 PolarHBondContact NH1-OE1 3.33Å; R196-E319 IonicContact NH2-OE1 3.63Å; R196-E319 PolarHBondContact NH2-OE1 2.94Å; I251-E319 HydrophobicContact CD1-CB 4.08Å; L315-E319 HydrophobicContact CB-CB 4.19Å; L315-E319 HydrophobicContact CD2-CB 4.26Å; T316-E319 WeakPolarHBondContact CB-OE2 3.49Å; T316-E319 WeakPolarHBondContact CG2-OE2 3.43Å; T316-E319 PolarHBondContact N-OE2 3.43Å; T316-E319 PolarHBondContact O-N 3.02Å; T316-E319 WeakPolarHBondContact OG1-CB 3.32Å; T316-E319 VanDerWaalsContact OG1-CD 3.3Å; T316-E319 VanDerWaalsContact OG1-CG 3.24Å; T316-E319 WeakPolarHBondContact OG1-CG 3.12Å; T316-E319 PolarHBondContact OG1-N 3.25Å; T316-E319 PolarHBondContact OG1-OE2 2.89Å; E319-E322 PolarHBondContact O-N 3.03Å; E319-L323 VanDerWaalsContact O-CB 3.31Å; E319-L323 WeakPolarHBondContact O-CB 3.24Å; E319-L323 PolarHBondContact O-N 3.22Å
320	F	98.8	Very high	98.5	Very high	69 Å²	69	50.9 Å²	50.9	30%	0.303	26%	0.26	S	S	.	.	H	α-helix	trans	-66.8	-39.3	178.4	-179.2	-97.6	0	0	0	112.4	F301 F312 L315 T316 D318 R324	F301-F320 HydrophobicContact CD1-CZ 4.33Å; F301-F320 HydrophobicContact CE1-CE2 4.27Å; F301-F320 HydrophobicContact CE1-CZ 4.16Å; F312-F320 HydrophobicContact CB-CD2 4.05Å; F312-F320 HydrophobicContact CB-CE2 4.3Å; F312-F320 HydrophobicContact CD2-CE2 4.27Å; L315-F320 HydrophobicContact CB-CB 4.25Å; L315-F320 HydrophobicContact CD1-CB 4.37Å; L315-F320 HydrophobicContact CD1-CD2 4.46Å; T316-F320 PolarHBondContact O-N 3.36Å; D318-F320 PolarHBondContact O-N 3.21Å; F320-R324 WeakPolarHBondContact O-CB 3.43Å; F320-R324 PolarHBondContact O-N 3.46Å
321	V	98.6	Very high	98.5	Very high	70 Å²	70	49.5 Å²	49.5	42%	0.424	25%	0.253	S	S	.	.	H	α-helix	trans	-63	-44.9	176.3	167.2	0	0	0	0	110.6	K317 D318 A325	K317-V321 WeakPolarHBondContact O-CB 3.26Å; K317-V321 VanDerWaalsContact O-CG2 3.24Å; K317-V321 WeakPolarHBondContact O-CG2 3.29Å; K317-V321 PolarHBondContact O-N 2.68Å; D318-V321 PolarHBondContact O-N 3.2Å; V321-A325 WeakPolarHBondContact O-CB 3.44Å; V321-A325 PolarHBondContact O-N 3.14Å
322	E	98.6	Very high	98.5	Very high	81 Å²	81	51.9 Å²	51.9	38%	0.379	27%	0.265	S	S	.	.	H	α-helix	trans	-62.8	-51.8	176.6	-176.5	178.4	176.2	0	0	111.7	I251 D318 E319 R324 A325 L326	I251-E322 HydrophobicContact CG2-CG 4.39Å; I251-E322 WeakPolarHBondContact CG2-OE1 3.47Å; D318-E322 PolarHBondContact O-N 3.13Å; E319-E322 PolarHBondContact O-N 3.03Å; E322-R324 VanDerWaalsContact C-N 3.33Å; E322-R324 PolarHBondContact O-N 2.91Å; E322-A325 PolarHBondContact O-N 2.87Å; E322-L326 HydrophobicContact CG-CD1 4.12Å; E322-L326 WeakPolarHBondContact O-CG 3.13Å; E322-L326 PolarHBondContact O-N 3.05Å
323	L	98.8	Very high	98.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-56.9	-47	178.1	179.6	146.1	0	0	0	111.4	I251 L254 A255 F312 L315 E319 A325 L326 V327	I251-L323 HydrophobicContact CD1-CB 3.98Å; I251-L323 HydrophobicContact CD1-CD1 3.88Å; I251-L323 HydrophobicContact CG1-CB 4.11Å; L254-L323 HydrophobicContact CB-CD1 4.42Å; L254-L323 HydrophobicContact CD2-CD1 3.55Å; L254-L323 HydrophobicContact CG-CD1 3.71Å; A255-L323 HydrophobicContact CB-CG 4.26Å; F312-L323 HydrophobicContact CD1-CD1 4.35Å; F312-L323 HydrophobicContact CD2-CD2 4.05Å; F312-L323 HydrophobicContact CE1-CD1 3.93Å; F312-L323 HydrophobicContact CE2-CD1 4.4Å; F312-L323 HydrophobicContact CE2-CD2 3.64Å; F312-L323 HydrophobicContact CZ-CD1 3.94Å; F312-L323 HydrophobicContact CZ-CD2 3.94Å; L315-L323 HydrophobicContact CD1-CD1 4.08Å; E319-L323 VanDerWaalsContact O-CB 3.31Å; E319-L323 WeakPolarHBondContact O-CB 3.24Å; E319-L323 PolarHBondContact O-N 3.22Å; L323-A325 PolarHBondContact O-N 3.39Å; L323-L326 PolarHBondContact O-N 3.02Å; L323-V327 HydrophobicContact CD2-CG2 4.06Å; L323-V327 HydrophobicContact CG-CG2 4.27Å; L323-V327 WeakPolarHBondContact O-CB 3.37Å; L323-V327 WeakPolarHBondContact O-CG2 3.42Å; L323-V327 PolarHBondContact O-N 3.46Å
324	R	98.8	Very high	98.6	Very high	93 Å²	93	48.8 Å²	48.8	35%	0.351	25%	0.252	S	S	.	.	H	α-helix	trans	-63.1	-42.4	-179.5	178.9	173.9	173.4	76.4	2	111.5	F301 F320 E322 I328	F301-R324 HydrophobicContact CE1-CB 4.18Å; F301-R324 HydrophobicContact CE1-CG 3.98Å; F301-R324 HydrophobicContact CE2-CG 4.48Å; F301-R324 HydrophobicContact CZ-CB 4.13Å; F301-R324 HydrophobicContact CZ-CG 3.88Å; F320-R324 WeakPolarHBondContact O-CB 3.43Å; F320-R324 PolarHBondContact O-N 3.46Å; E322-R324 VanDerWaalsContact C-N 3.33Å; E322-R324 PolarHBondContact O-N 2.91Å; R324-I328 HydrophobicContact CG-CD1 3.7Å; R324-I328 HydrophobicContact CG-CG1 4.41Å; R324-I328 WeakPolarHBondContact O-CB 3.3Å; R324-I328 WeakPolarHBondContact O-CD1 3.33Å; R324-I328 WeakPolarHBondContact O-CG1 3.43Å; R324-I328 PolarHBondContact O-N 2.69Å
325	A	98.8	Very high	98.6	Very high	58 Å²	58	45.4 Å²	45.4	48%	0.479	23%	0.234	S	C	.	.	H	α-helix	trans	-62.7	-47.7	177.7	0	0	0	0	0	111.6	V321 E322 L323 I328 E329	V321-A325 WeakPolarHBondContact O-CB 3.44Å; V321-A325 PolarHBondContact O-N 3.14Å; E322-A325 PolarHBondContact O-N 2.87Å; L323-A325 PolarHBondContact O-N 3.39Å; A325-I328 PolarHBondContact O-N 2.97Å; A325-E329 PolarHBondContact O-N 3.39Å
326	L	98.8	Very high	98.3	Very high	14 Å²	14	48.5 Å²	48.5	7%	0.073	25%	0.249	C	C	.	.	H	α-helix	trans	-59.1	-49.2	177.2	-72.6	172.1	0	0	0	111.8	E252 A255 E322 L323 I328 E329 M330 P359 L362	E252-L326 HydrophobicContact CG-CD1 3.98Å; A255-L326 HydrophobicContact CB-CB 3.89Å; A255-L326 HydrophobicContact CB-CD1 4Å; E322-L326 HydrophobicContact CG-CD1 4.12Å; E322-L326 WeakPolarHBondContact O-CG 3.13Å; E322-L326 PolarHBondContact O-N 3.05Å; L323-L326 PolarHBondContact O-N 3.02Å; L326-I328 VanDerWaalsContact C-N 3.35Å; L326-I328 PolarHBondContact O-N 3.39Å; L326-E329 PolarHBondContact O-N 2.99Å; L326-M330 HydrophobicContact CB-CE 4.01Å; L326-M330 WeakPolarHBondContact O-CB 3.38Å; L326-M330 WeakPolarHBondContact O-CE 3.38Å; L326-M330 VanDerWaalsContact O-CG 3.32Å; L326-M330 WeakPolarHBondContact O-CG 3.32Å; L326-M330 PolarHBondContact O-N 2.9Å; L326-P359 HydrophobicContact CD2-CB 4.08Å; L326-P359 HydrophobicContact CD2-CG 3.82Å; L326-L362 HydrophobicContact CD2-CD1 4.5Å
327	V	98.9	Very high	98.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.8	-42.9	-178.8	171.1	0	0	0	0	111.3	A255 F258 A259 I262 F301 L323 M330 V331	A255-V327 HydrophobicContact CB-CG2 4.08Å; F258-V327 HydrophobicContact CD1-CG1 4.03Å; F258-V327 HydrophobicContact CD1-CG2 3.83Å; F258-V327 HydrophobicContact CE1-CG1 4.26Å; A259-V327 HydrophobicContact CB-CG1 4.25Å; A259-V327 HydrophobicContact CB-CG2 4.36Å; I262-V327 HydrophobicContact CD1-CG1 3.84Å; F301-V327 HydrophobicContact CE2-CB 4.47Å; F301-V327 HydrophobicContact CE2-CG1 3.9Å; F301-V327 HydrophobicContact CZ-CB 4.37Å; F301-V327 HydrophobicContact CZ-CG1 4.18Å; L323-V327 HydrophobicContact CD2-CG2 4.06Å; L323-V327 HydrophobicContact CG-CG2 4.27Å; L323-V327 WeakPolarHBondContact O-CB 3.37Å; L323-V327 WeakPolarHBondContact O-CG2 3.42Å; L323-V327 PolarHBondContact O-N 3.46Å; V327-M330 HydrophobicContact CG2-CE 4.48Å; V327-M330 PolarHBondContact O-N 2.9Å; V327-V331 HydrophobicContact CG1-CG2 4.34Å; V327-V331 WeakPolarHBondContact O-CG2 3.37Å; V327-V331 PolarHBondContact O-N 2.89Å
328	I	98.9	Very high	97.7	Very high	51 Å²	51	44.2 Å²	44.2	26%	0.262	24%	0.24	S	C	.	.	H	α-helix	trans	-60.4	-48.6	177.2	-70.6	166	0	0	0	110.5	I297 R324 A325 L326 L332	I297-I328 HydrophobicContact CD1-CG2 4.49Å; I297-I328 HydrophobicContact CG2-CG1 3.77Å; R324-I328 HydrophobicContact CG-CD1 3.7Å; R324-I328 HydrophobicContact CG-CG1 4.41Å; R324-I328 WeakPolarHBondContact O-CB 3.3Å; R324-I328 WeakPolarHBondContact O-CD1 3.33Å; R324-I328 WeakPolarHBondContact O-CG1 3.43Å; R324-I328 PolarHBondContact O-N 2.69Å; A325-I328 PolarHBondContact O-N 2.97Å; L326-I328 VanDerWaalsContact C-N 3.35Å; L326-I328 PolarHBondContact O-N 3.39Å; I328-L332 HydrophobicContact CG2-CD1 3.77Å; I328-L332 HydrophobicContact CG2-CG 4.4Å; I328-L332 WeakPolarHBondContact O-CB 3.49Å; I328-L332 VanDerWaalsContact O-CG 3.27Å; I328-L332 WeakPolarHBondContact O-CG 3.21Å; I328-L332 PolarHBondContact O-N 3.23Å
329	E	98.7	Very high	97.5	Very high	79 Å²	79	40.8 Å²	40.8	37%	0.369	22%	0.222	S	C	.	.	H	α-helix	trans	-63.7	-42.6	-179.2	-172	176.1	155.8	0	0	112.1	A325 L326 A333 P359	A325-E329 PolarHBondContact O-N 3.39Å; L326-E329 PolarHBondContact O-N 2.99Å; E329-A333 WeakPolarHBondContact O-CB 3.34Å; E329-A333 PolarHBondContact O-N 2.98Å; E329-A333 VanDerWaalsContact O-N 3.14Å; E329-P359 VanDerWaalsContact CD-CB 3.46Å; E329-P359 VanDerWaalsContact OE1-CB 3.32Å; E329-P359 WeakPolarHBondContact OE1-CB 3.38Å; E329-P359 WeakPolarHBondContact OE2-CB 3.49Å
330	M	98.9	Very high	97.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.4	-47.4	180	-74.2	-173.3	-72.1	0	0	112.5	A255 I256 A259 L326 V327 A333 L362 S363 L366	A255-M330 VanDerWaalsContact C-CE 3.47Å; A255-M330 HydrophobicContact CB-CE 3.83Å; A255-M330 WeakPolarHBondContact O-CE 3.47Å; I256-M330 HydrophobicContact CB-CE 4.12Å; I256-M330 HydrophobicContact CB-SD 3.75Å; I256-M330 HydrophobicContact CD1-SD 4.15Å; I256-M330 HydrophobicContact CG1-SD 3.64Å; A259-M330 HydrophobicContact CB-CB 4.06Å; A259-M330 HydrophobicContact CB-CE 3.79Å; A259-M330 HydrophobicContact CB-SD 4.37Å; L326-M330 HydrophobicContact CB-CE 4.01Å; L326-M330 WeakPolarHBondContact O-CB 3.38Å; L326-M330 WeakPolarHBondContact O-CE 3.38Å; L326-M330 VanDerWaalsContact O-CG 3.32Å; L326-M330 WeakPolarHBondContact O-CG 3.32Å; L326-M330 PolarHBondContact O-N 2.9Å; V327-M330 HydrophobicContact CG2-CE 4.48Å; V327-M330 PolarHBondContact O-N 2.9Å; M330-A333 WeakPolarHBondContact O-CB 3.48Å; M330-A333 PolarHBondContact O-N 3.02Å; M330-L362 HydrophobicContact CG-CB 4.2Å; M330-L362 HydrophobicContact SD-CB 3.63Å; M330-L362 HydrophobicContact SD-CD1 4.46Å; M330-S363 WeakPolarHBondContact CA-OG 3.22Å; M330-L366 HydrophobicContact CB-CD2 3.83Å
331	V	98.9	Very high	96.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-71.7	-36.6	-178.7	177.4	0	0	0	0	111.3	A259 I262 H263 H296 I297 V327 A333 T334	A259-V331 HydrophobicContact CB-CG2 3.94Å; I262-V331 HydrophobicContact CG1-CG2 4.31Å; H263-V331 HydrophobicContact CB-CG1 4.18Å; H263-V331 HydrophobicContact CB-CG2 4.12Å; H296-V331 HydrophobicContact CB-CG1 4.4Å; I297-V331 HydrophobicContact CD1-CB 3.81Å; I297-V331 HydrophobicContact CD1-CG1 3.87Å; I297-V331 HydrophobicContact CG1-CB 3.65Å; I297-V331 HydrophobicContact CG1-CG1 3.53Å; I297-V331 HydrophobicContact CG1-CG2 4.33Å; V327-V331 HydrophobicContact CG1-CG2 4.34Å; V327-V331 WeakPolarHBondContact O-CG2 3.37Å; V327-V331 PolarHBondContact O-N 2.89Å; V331-A333 PolarHBondContact O-N 3.45Å; V331-T334 PolarHBondContact O-N 3.48Å; V331-T334 PolarHBondContact O-OG1 3.44Å
332	L	98.8	Very high	96.7	Very high	53 Å²	53	46 Å²	46	28%	0.277	24%	0.24	S	C	.	.	H	α-helix	trans	-63.5	-26.8	172.4	-72.6	176	0	0	0	112.6	E293 I297 I328 T334 D335	E293-L332 HydrophobicContact CB-CD2 4.07Å; I297-L332 HydrophobicContact CD1-CD2 4.02Å; I297-L332 HydrophobicContact CD1-CG 3.8Å; I328-L332 HydrophobicContact CG2-CD1 3.77Å; I328-L332 HydrophobicContact CG2-CG 4.4Å; I328-L332 WeakPolarHBondContact O-CB 3.49Å; I328-L332 VanDerWaalsContact O-CG 3.27Å; I328-L332 WeakPolarHBondContact O-CG 3.21Å; I328-L332 PolarHBondContact O-N 3.23Å; L332-T334 VanDerWaalsContact C-N 3.27Å; L332-T334 PolarHBondContact O-N 2.89Å; L332-D335 WeakPolarHBondContact O-CB 3.29Å; L332-D335 PolarHBondContact O-N 3.46Å
333	A	98.6	Very high	96.4	Very high	13 Å²	13	43 Å²	43	11%	0.107	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-5.5	178.3	0	0	0	0	0	114.3	E329 M330 V331 D335 C338	E329-A333 WeakPolarHBondContact O-CB 3.34Å; E329-A333 PolarHBondContact O-N 2.98Å; E329-A333 VanDerWaalsContact O-N 3.14Å; M330-A333 WeakPolarHBondContact O-CB 3.48Å; M330-A333 PolarHBondContact O-N 3.02Å; V331-A333 PolarHBondContact O-N 3.45Å; A333-D335 VanDerWaalsContact C-N 3.29Å; A333-C338 PolarHBondContact O-SG 3.41Å; A333-C338 VanDerWaalsContact O-SG 3.42Å
334	T	98.6	Very high	96.2	Very high	6 Å²	6	49.3 Å²	49.3	4%	0.037	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-11.6	170.1	67.3	0	0	0	0	112.3	H263 V331 L332 M336 L366	H263-T334 HydrophobicContact CB-CG2 4.46Å; V331-T334 PolarHBondContact O-N 3.48Å; V331-T334 PolarHBondContact O-OG1 3.44Å; L332-T334 VanDerWaalsContact C-N 3.27Å; L332-T334 PolarHBondContact O-N 2.89Å; T334-M336 PolarHBondContact O-N 3.35Å; T334-L366 HydrophobicContact CG2-CD2 3.89Å; T334-L366 HydrophobicContact CG2-CG 3.92Å
335	D	98.1	Very high	96	Very high	11 Å²	11	47.6 Å²	47.6	6%	0.059	26%	0.255	C	S	.	.			trans	-58	110.7	172.8	-177	-21.1	0	0	0	110	S290 E293 L332 A333 S337 C338	S290-D335 WeakPolarHBondContact CA-OD2 3.48Å; S290-D335 VanDerWaalsContact CB-OD2 3.27Å; S290-D335 WeakPolarHBondContact CB-OD2 3.41Å; S290-D335 PolarHBondContact OG-OD2 2.98Å; E293-D335 HydrophobicContact CG-CB 3.91Å; L332-D335 WeakPolarHBondContact O-CB 3.29Å; L332-D335 PolarHBondContact O-N 3.46Å; A333-D335 VanDerWaalsContact C-N 3.29Å; D335-S337 PolarHBondContact O-N 2.67Å; D335-S337 WeakPolarHBondContact OD1-CB 3.41Å; D335-S337 PolarHBondContact OD1-N 3.36Å; D335-S337 PolarHBondContact OD1-OG 3.46Å; D335-S337 PolarHBondContact OD2-OG 3.25Å; D335-C338 PolarHBondContact O-N 3.08Å; D335-C338 PolarHBondContact O-SG 2.83Å
336	M	93.3	Very high	95.8	Very high	86 Å²	86	45.2 Å²	45.2	42%	0.424	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-19.5	-177.6	-74.5	-62.8	-56.2	0	0	113.9	T334 C338 H339 H367 I371 I428	T334-M336 PolarHBondContact O-N 3.35Å; M336-C338 PolarHBondContact O-N 3.35Å; M336-H339 HydrophobicContact CE-CB 4.4Å; M336-H339 WeakPolarHBondContact O-CB 3.34Å; M336-H339 PolarHBondContact O-N 3.48Å; M336-H367 VanDerWaalsContact SD-CE1 3.51Å; M336-I371 HydrophobicContact SD-CG2 4.01Å; M336-I428 HydrophobicContact CE-CG2 4.13Å
337	S	92.4	Very high	95.6	Very high	98 Å²	98	49.9 Å²	49.9	69%	0.685	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.3	173.8	73.6	0	0	0	0	113.2	D335	D335-S337 PolarHBondContact O-N 2.67Å; D335-S337 WeakPolarHBondContact OD1-CB 3.41Å; D335-S337 PolarHBondContact OD1-N 3.36Å; D335-S337 PolarHBondContact OD1-OG 3.46Å; D335-S337 PolarHBondContact OD2-OG 3.25Å
338	C	90.8	Very high	95.3	Very high	37 Å²	37	52.5 Å²	52.5	25%	0.25	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-13.4	178.8	84.5	0	0	0	0	113.7	A333 D335 M336 F340 Q341 Q342	A333-C338 PolarHBondContact O-SG 3.41Å; A333-C338 VanDerWaalsContact O-SG 3.42Å; D335-C338 PolarHBondContact O-N 3.08Å; D335-C338 PolarHBondContact O-SG 2.83Å; M336-C338 PolarHBondContact O-N 3.35Å; C338-F340 PolarHBondContact O-N 3.3Å; C338-Q341 WeakPolarHBondContact O-CB 3.43Å; C338-Q341 PolarHBondContact O-N 3.09Å; C338-Q342 PolarHBondContact O-N 2.78Å
339	H	92.7	Very high	95	Very high	3 Å²	3	50.7 Å²	50.7	1%	0.014	26%	0.263	C	S	.	.	H	α-helix	trans	-44.5	-56.6	-172.8	166.9	66.4	0	0	0	114	M336 Q341 Q342 V343 H367 T432	M336-H339 HydrophobicContact CE-CB 4.4Å; M336-H339 WeakPolarHBondContact O-CB 3.34Å; M336-H339 PolarHBondContact O-N 3.48Å; H339-Q341 VanDerWaalsContact C-N 3.31Å; H339-Q341 PolarHBondContact O-N 3.2Å; H339-Q342 PolarHBondContact O-N 2.99Å; H339-V343 WeakPolarHBondContact O-CG2 3.43Å; H339-V343 PolarHBondContact O-N 2.93Å; H339-H367 AromaticContact CG-NE2 3.95Å; H339-H367 AromaticContact ND1-CD2 3.86Å; H339-H367 AromaticContact ND1-NE2 3.26Å; H339-H367 PolarHBondContact ND1-NE2 2.89Å; H339-T432 PolarHBondContact CE1-OG1 2.64Å
340	F	89.4	Confident	94.6	Very high	141 Å²	141	48 Å²	48	62%	0.618	25%	0.251	S	S	*	.	H	α-helix	trans	-65.5	-35	-176.7	-69.4	-62	0	0	0	112.6	C338 K344 I428	C338-F340 PolarHBondContact O-N 3.3Å; F340-K344 WeakPolarHBondContact O-CB 3.44Å; F340-K344 PolarHBondContact O-N 3.45Å; F340-I428 HydrophobicContact CE1-CD1 4.05Å; F340-I428 HydrophobicContact CZ-CD1 3.7Å
341	Q	94.8	Very high	94.2	Very high	113 Å²	113	54.5 Å²	54.5	53%	0.528	28%	0.281	S	S	.	.	H	α-helix	trans	-70.3	-42.2	177.3	-175.3	58.1	61	0	0	110.7	C338 H339 K344 T345	C338-Q341 WeakPolarHBondContact O-CB 3.43Å; C338-Q341 PolarHBondContact O-N 3.09Å; H339-Q341 VanDerWaalsContact C-N 3.31Å; H339-Q341 PolarHBondContact O-N 3.2Å; Q341-K344 PolarHBondContact O-N 3.15Å; Q341-T345 PolarHBondContact NE2-OG1 2.93Å; Q341-T345 WeakPolarHBondContact O-CB 3.33Å; Q341-T345 PolarHBondContact O-N 3.42Å; Q341-T345 PolarHBondContact O-OG1 3.47Å
342	Q	94.9	Very high	93.8	Very high	28 Å²	28	60.1 Å²	60.1	13%	0.131	31%	0.307	C	S	.	.	H	α-helix	trans	-60.1	-51.9	176.7	-169.6	-171.3	31.9	0	0	111.3	C338 H339 K344 T345 M346 S363	C338-Q342 PolarHBondContact O-N 2.78Å; H339-Q342 PolarHBondContact O-N 2.99Å; Q342-K344 PolarHBondContact O-N 3.03Å; Q342-T345 PolarHBondContact O-N 3.36Å; Q342-M346 WeakPolarHBondContact O-CB 3.47Å; Q342-M346 PolarHBondContact O-N 3.37Å; Q342-S363 VanDerWaalsContact NE2-C 3.25Å; Q342-S363 PolarHBondContact NE2-O 3.33Å
343	V	93.5	Very high	92.9	Very high	18 Å²	18	64.5 Å²	64.5	11%	0.109	33%	0.33	C	S	.	.	H	α-helix	trans	-60.9	-44.6	178.3	173.3	0	0	0	0	111.2	H339 M346 K347 V435	H339-V343 WeakPolarHBondContact O-CG2 3.43Å; H339-V343 PolarHBondContact O-N 2.93Å; V343-M346 PolarHBondContact O-N 3.35Å; V343-K347 WeakPolarHBondContact O-CB 3.38Å; V343-K347 PolarHBondContact O-N 3.49Å; V343-V435 HydrophobicContact CG1-CG2 4.01Å
344	K	94.6	Very high	92.1	Very high	134 Å²	134	68.5 Å²	68.5	58%	0.583	35%	0.347	S	S	*	.	H	α-helix	trans	-62.5	-50.5	179.1	-178.8	-179.2	177	-175.5	0	111.7	F340 Q341 Q342 M346 K347 T348	F340-K344 WeakPolarHBondContact O-CB 3.44Å; F340-K344 PolarHBondContact O-N 3.45Å; Q341-K344 PolarHBondContact O-N 3.15Å; Q342-K344 PolarHBondContact O-N 3.03Å; K344-M346 VanDerWaalsContact C-N 3.31Å; K344-M346 PolarHBondContact O-N 2.97Å; K344-K347 PolarHBondContact O-N 2.93Å; K344-T348 PolarHBondContact O-N 3.17Å; K344-T348 PolarHBondContact O-OG1 3.01Å
345	T	93.3	Very high	91.4	Very high	56 Å²	56	79.3 Å²	79.3	34%	0.344	39%	0.387	S	S	.	.	H	α-helix	trans	-59.4	-43.8	179.9	-62.8	0	0	0	0	110.9	Q341 Q342 T348 A349	Q341-T345 PolarHBondContact NE2-OG1 2.93Å; Q341-T345 WeakPolarHBondContact O-CB 3.33Å; Q341-T345 PolarHBondContact O-N 3.42Å; Q341-T345 PolarHBondContact O-OG1 3.47Å; Q342-T345 PolarHBondContact O-N 3.36Å; T345-T348 PolarHBondContact O-N 3.22Å; T345-A349 PolarHBondContact O-N 3.5Å
346	M	95.6	Very high	90.9	Very high	8 Å²	8	79.9 Å²	79.9	4%	0.039	39%	0.389	C	S	.	.	H	α-helix	trans	-65.1	-43.6	178.9	-170.6	62.7	72.2	0	0	112	Q342 V343 K344 T348 A349 L350 I356 K360 L364 V435 V439	Q342-M346 WeakPolarHBondContact O-CB 3.47Å; Q342-M346 PolarHBondContact O-N 3.37Å; V343-M346 PolarHBondContact O-N 3.35Å; K344-M346 VanDerWaalsContact C-N 3.31Å; K344-M346 PolarHBondContact O-N 2.97Å; M346-T348 VanDerWaalsContact C-N 3.31Å; M346-T348 PolarHBondContact O-N 2.86Å; M346-A349 PolarHBondContact O-N 2.94Å; M346-L350 HydrophobicContact CG-CD1 4.49Å; M346-L350 WeakPolarHBondContact O-CG 3.45Å; M346-L350 PolarHBondContact O-N 3Å; M346-I356 HydrophobicContact CE-CG2 4.04Å; M346-I356 HydrophobicContact SD-CD1 3.97Å; M346-I356 HydrophobicContact SD-CG2 3.7Å; M346-K360 HydrophobicContact CE-CB 3.8Å; M346-K360 WeakPolarHBondContact CE-O 3.46Å; M346-L364 HydrophobicContact CB-CD2 4.37Å; M346-L364 HydrophobicContact CE-CB 4.48Å; M346-L364 HydrophobicContact CE-CD2 4.34Å; M346-L364 HydrophobicContact CG-CD2 3.83Å; M346-V435 HydrophobicContact CB-CG1 3.79Å; M346-V435 HydrophobicContact CG-CG1 3.54Å; M346-V439 HydrophobicContact CE-CG2 4.37Å; M346-V439 HydrophobicContact CG-CG2 3.41Å; M346-V439 VanDerWaalsContact CG-CG2 3.41Å; M346-V439 HydrophobicContact SD-CG2 3.5Å; M346-V439 VanDerWaalsContact SD-CG2 3.5Å
347	K	93.5	Very high	90.8	Very high	113 Å²	113	79.5 Å²	79.5	49%	0.491	39%	0.389	S	S	.	.	H	α-helix	trans	-60.4	-41.2	176.1	-171.4	172.8	-175.2	171.1	0	112.1	V343 K344 L350 Q351 V435	V343-K347 WeakPolarHBondContact O-CB 3.38Å; V343-K347 PolarHBondContact O-N 3.49Å; K344-K347 PolarHBondContact O-N 2.93Å; K347-L350 PolarHBondContact O-N 3.21Å; K347-Q351 VanDerWaalsContact O-CG 3.27Å; K347-Q351 WeakPolarHBondContact O-CG 3.48Å; K347-Q351 PolarHBondContact O-N 3.24Å; K347-V435 HydrophobicContact CB-CG2 4.35Å
348	T	93.4	Very high	90.7	Very high	54 Å²	54	78.4 Å²	78.4	33%	0.331	37%	0.372	S	S	.	.	H	α-helix	trans	-63.1	-46.5	175.3	-64.3	0	0	0	0	111.6	K344 T345 M346 L350 Q351 Q352	K344-T348 PolarHBondContact O-N 3.17Å; K344-T348 PolarHBondContact O-OG1 3.01Å; T345-T348 PolarHBondContact O-N 3.22Å; M346-T348 VanDerWaalsContact C-N 3.31Å; M346-T348 PolarHBondContact O-N 2.86Å; T348-L350 VanDerWaalsContact C-N 3.31Å; T348-L350 PolarHBondContact O-N 3.19Å; T348-Q351 PolarHBondContact O-N 3.31Å; T348-Q352 HydrophobicContact CG2-CG 4.43Å; T348-Q352 WeakPolarHBondContact O-CG 3.36Å; T348-Q352 PolarHBondContact O-N 3.42Å
349	A	91.8	Very high	91	Very high	14 Å²	14	77.8 Å²	77.8	12%	0.116	37%	0.368	C	S	.	.	H	α-helix	trans	-61.5	-37.1	177	0	0	0	0	0	112.8	T345 M346 L353 E354 I356 K442	T345-A349 PolarHBondContact O-N 3.5Å; M346-A349 PolarHBondContact O-N 2.94Å; A349-L353 PolarHBondContact O-N 3.39Å; A349-E354 HydrophobicContact CB-CB 4.47Å; A349-E354 PolarHBondContact O-N 3.11Å; A349-E354 VanDerWaalsContact O-N 3.08Å; A349-I356 HydrophobicContact CB-CD1 3.93Å; A349-K442 PolarHBondContact O-NZ 3.29Å
350	L	91.4	Very high	91.1	Very high	23 Å²	23	82.4 Å²	82.4	12%	0.12	39%	0.388	C	S	.	.	H	α-helix	trans	-62	-49.6	173.1	-73.5	169.3	0	0	0	111.5	M346 K347 T348 Q352 L353 I356 V435 D438 V439 K442	M346-L350 HydrophobicContact CG-CD1 4.49Å; M346-L350 WeakPolarHBondContact O-CG 3.45Å; M346-L350 PolarHBondContact O-N 3Å; K347-L350 PolarHBondContact O-N 3.21Å; T348-L350 VanDerWaalsContact C-N 3.31Å; T348-L350 PolarHBondContact O-N 3.19Å; L350-Q352 VanDerWaalsContact C-N 3.34Å; L350-Q352 PolarHBondContact O-N 3.17Å; L350-L353 PolarHBondContact O-N 2.94Å; L350-L353 VanDerWaalsContact O-N 3.12Å; L350-I356 HydrophobicContact CD2-CD1 4Å; L350-I356 HydrophobicContact CD2-CG1 4.34Å; L350-I356 HydrophobicContact CG-CD1 4.26Å; L350-V435 HydrophobicContact CD1-CG1 4.1Å; L350-D438 HydrophobicContact CD1-CB 3.7Å; L350-V439 HydrophobicContact CD1-CG2 4.04Å; L350-V439 HydrophobicContact CD2-CG2 4.22Å; L350-V439 HydrophobicContact CG-CG2 4.35Å; L350-K442 HydrophobicContact CD2-CB 4.21Å; L350-K442 HydrophobicContact CD2-CD 3.64Å
351	Q	90.7	Very high	91.5	Very high	136 Å²	136	76 Å²	76	64%	0.636	36%	0.361	S	S	*	.	H	α-helix	trans	-63.7	-36.4	-179.3	-73.2	172.9	-17.2	0	0	113.3	K347 T348 L353	K347-Q351 VanDerWaalsContact O-CG 3.27Å; K347-Q351 WeakPolarHBondContact O-CG 3.48Å; K347-Q351 PolarHBondContact O-N 3.24Å; T348-Q351 PolarHBondContact O-N 3.31Å; Q351-L353 PolarHBondContact O-N 3.35Å
352	Q	89.1	Confident	91.7	Very high	117 Å²	117	70.7 Å²	70.7	55%	0.547	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	4.3	178	-69.3	178.9	-52.3	0	0	113.1	T348 L350 E354	T348-Q352 HydrophobicContact CG2-CG 4.43Å; T348-Q352 WeakPolarHBondContact O-CG 3.36Å; T348-Q352 PolarHBondContact O-N 3.42Å; L350-Q352 VanDerWaalsContact C-N 3.34Å; L350-Q352 PolarHBondContact O-N 3.17Å; Q352-E354 HydrophobicContact CB-CG 3.81Å; Q352-E354 PolarHBondContact O-N 3.13Å; Q352-E354 VanDerWaalsContact O-N 3.09Å; Q352-E354 PolarHBondContact OE1-OE1 3.39Å
353	L	80.7	Confident	91.9	Very high	145 Å²	145	69.5 Å²	69.5	76%	0.759	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	24.2	-176.1	-59.8	175.5	0	0	0	113.2	A349 L350 Q351 K442	A349-L353 PolarHBondContact O-N 3.39Å; L350-L353 PolarHBondContact O-N 2.94Å; L350-L353 VanDerWaalsContact O-N 3.12Å; Q351-L353 PolarHBondContact O-N 3.35Å; L353-K442 VanDerWaalsContact CA-NZ 3.3Å
354	E	81.4	Confident	92.1	Very high	98 Å²	98	68.7 Å²	68.7	46%	0.458	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-68.5	152.6	178.7	-67.7	-177.8	170.6	0	0	111.3	A349 Q352 I356 K442	A349-E354 HydrophobicContact CB-CB 4.47Å; A349-E354 PolarHBondContact O-N 3.11Å; A349-E354 VanDerWaalsContact O-N 3.08Å; Q352-E354 HydrophobicContact CB-CG 3.81Å; Q352-E354 PolarHBondContact O-N 3.13Å; Q352-E354 VanDerWaalsContact O-N 3.09Å; Q352-E354 PolarHBondContact OE1-OE1 3.39Å; E354-I356 PolarHBondContact O-N 2.89Å; E354-K442 VanDerWaalsContact O-CE 3.29Å; E354-K442 WeakPolarHBondContact O-CE 3.35Å; E354-K442 PolarHBondContact O-NZ 2.9Å
355	R	83.7	Confident	92.3	Very high	233 Å²	233	62.3 Å²	62.3	88%	0.879	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-65.2	123	169.5	-175.2	178.1	-179.8	-180	0.6	108.1	D357	R355-D357 PolarHBondContact O-N 3.22Å
356	I	87.9	Confident	92.6	Very high	22 Å²	22	59.6 Å²	59.6	11%	0.113	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-69.6	125.8	177.5	-54.9	-54.8	0	0	0	108.7	M346 A349 L350 E354 A361 V439 K442	M346-I356 HydrophobicContact CE-CG2 4.04Å; M346-I356 HydrophobicContact SD-CD1 3.97Å; M346-I356 HydrophobicContact SD-CG2 3.7Å; A349-I356 HydrophobicContact CB-CD1 3.93Å; L350-I356 HydrophobicContact CD2-CD1 4Å; L350-I356 HydrophobicContact CD2-CG1 4.34Å; L350-I356 HydrophobicContact CG-CD1 4.26Å; E354-I356 PolarHBondContact O-N 2.89Å; I356-A361 HydrophobicContact CG2-CB 3.94Å; I356-V439 HydrophobicContact CG2-CG1 4.21Å; I356-K442 HydrophobicContact CG1-CD 4.22Å
357	D	90.6	Very high	92.7	Very high	78 Å²	78	59.2 Å²	59.2	42%	0.417	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-70.3	130.7	176.1	-174.5	34	0	0	0	110.2	R355 P359 K360 A361	R355-D357 PolarHBondContact O-N 3.22Å; D357-P359 VanDerWaalsContact OD1-CD 3.29Å; D357-P359 WeakPolarHBondContact OD1-CD 3.35Å; D357-K360 HydrophobicContact CB-CB 4.33Å; D357-K360 HydrophobicContact CB-CD 4.09Å; D357-K360 HydrophobicContact CB-CG 4.2Å; D357-K360 PolarHBondContact O-N 3.18Å; D357-A361 PolarHBondContact O-N 3Å
358	K	91.8	Very high	93	Very high	75 Å²	75	53.9 Å²	53.9	33%	0.326	26%	0.256	S	S	.	.	H	α-helix	trans	-63.6	-46.8	-171.7	-74.7	-171.2	174.8	-167.6	0	113	C247 E252 K360 A361 L362	C247-K358 WeakPolarHBondContact O-CE 3.46Å; C247-K358 PolarHBondContact O-NZ 3.01Å; C247-K358 VanDerWaalsContact O-NZ 3.1Å; E252-K358 VanDerWaalsContact CD-NZ 3.26Å; E252-K358 WeakPolarHBondContact OE1-CD 3.27Å; E252-K358 IonicContact OE1-NZ 2.88Å; E252-K358 PolarHBondContact OE1-NZ 2.89Å; E252-K358 IonicContact OE2-NZ 3.9Å; E252-K358 PolarHBondContact OE2-NZ 2.92Å; K358-K360 VanDerWaalsContact C-N 3.31Å; K358-K360 PolarHBondContact O-N 2.78Å; K358-A361 PolarHBondContact O-N 2.85Å; K358-A361 VanDerWaalsContact O-N 3.15Å; K358-L362 WeakPolarHBondContact O-CG 3.11Å; K358-L362 PolarHBondContact O-N 3.36Å
359	P	95.8	Very high	93.3	Very high	25 Å²	25	51.3 Å²	51.3	16%	0.162	24%	0.241	C	C	.	.	H	α-helix	trans	-54.1	-46.6	174.5	-26	35.7	0	0	0	112	L326 E329 D357 A361 L362 S363	L326-P359 HydrophobicContact CD2-CB 4.08Å; L326-P359 HydrophobicContact CD2-CG 3.82Å; E329-P359 VanDerWaalsContact CD-CB 3.46Å; E329-P359 VanDerWaalsContact OE1-CB 3.32Å; E329-P359 WeakPolarHBondContact OE1-CB 3.38Å; E329-P359 WeakPolarHBondContact OE2-CB 3.49Å; D357-P359 VanDerWaalsContact OD1-CD 3.29Å; D357-P359 WeakPolarHBondContact OD1-CD 3.35Å; P359-A361 VanDerWaalsContact C-N 3.35Å; P359-A361 PolarHBondContact O-N 3.28Å; P359-L362 PolarHBondContact O-N 3.27Å; P359-S363 WeakPolarHBondContact O-CB 3.46Å; P359-S363 PolarHBondContact O-N 2.95Å; P359-S363 PolarHBondContact O-OG 3.25Å
360	K	95.9	Very high	93.6	Very high	99 Å²	99	51.5 Å²	51.5	43%	0.43	24%	0.24	S	C	.	.	H	α-helix	trans	-61.8	-38.6	177	-63.9	-177.6	-174.1	170.2	0	113.5	M346 D357 K358 L364	M346-K360 HydrophobicContact CE-CB 3.8Å; M346-K360 WeakPolarHBondContact CE-O 3.46Å; D357-K360 HydrophobicContact CB-CB 4.33Å; D357-K360 HydrophobicContact CB-CD 4.09Å; D357-K360 HydrophobicContact CB-CG 4.2Å; D357-K360 PolarHBondContact O-N 3.18Å; K358-K360 VanDerWaalsContact C-N 3.31Å; K358-K360 PolarHBondContact O-N 2.78Å; K360-L364 WeakPolarHBondContact O-CB 3.46Å; K360-L364 PolarHBondContact O-N 3.05Å
361	A	97.4	Very high	94	Very high	7 Å²	7	50.8 Å²	50.8	6%	0.058	24%	0.236	C	C	.	.	H	α-helix	trans	-66.1	-43.7	175.9	0	0	0	0	0	111.8	M244 I356 D357 K358 P359 L364 L365 V439	M244-A361 HydrophobicContact CE-CB 4.4Å; I356-A361 HydrophobicContact CG2-CB 3.94Å; D357-A361 PolarHBondContact O-N 3Å; K358-A361 PolarHBondContact O-N 2.85Å; K358-A361 VanDerWaalsContact O-N 3.15Å; P359-A361 VanDerWaalsContact C-N 3.35Å; P359-A361 PolarHBondContact O-N 3.28Å; A361-L364 PolarHBondContact O-N 2.85Å; A361-L365 WeakPolarHBondContact O-CB 3.38Å; A361-L365 PolarHBondContact O-N 2.65Å; A361-V439 HydrophobicContact CB-CG1 4.05Å
362	L	98.5	Very high	94.3	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-66.4	-41.4	177.4	-68	174	0	0	0	111.8	L248 E252 I256 L326 M330 K358 P359 L364 L365 L366	L248-L362 HydrophobicContact CD1-CD2 3.76Å; L248-L362 HydrophobicContact CD2-CD1 4.48Å; L248-L362 HydrophobicContact CD2-CD2 3.83Å; L248-L362 HydrophobicContact CD2-CG 4.43Å; L248-L362 HydrophobicContact CG-CD2 4.47Å; E252-L362 HydrophobicContact CB-CD1 4.26Å; E252-L362 HydrophobicContact CG-CD1 4.46Å; I256-L362 HydrophobicContact CB-CD2 4.39Å; I256-L362 HydrophobicContact CD1-CB 4.07Å; I256-L362 HydrophobicContact CD1-CD2 3.63Å; I256-L362 HydrophobicContact CD1-CG 4.45Å; L326-L362 HydrophobicContact CD2-CD1 4.5Å; M330-L362 HydrophobicContact CG-CB 4.2Å; M330-L362 HydrophobicContact SD-CB 3.63Å; M330-L362 HydrophobicContact SD-CD1 4.46Å; K358-L362 WeakPolarHBondContact O-CG 3.11Å; K358-L362 PolarHBondContact O-N 3.36Å; P359-L362 PolarHBondContact O-N 3.27Å; L362-L364 VanDerWaalsContact C-N 3.34Å; L362-L364 PolarHBondContact O-N 3.02Å; L362-L365 PolarHBondContact O-N 3.28Å; L362-L366 PolarHBondContact O-N 3.02Å
363	S	98.8	Very high	94.8	Very high	3 Å²	3	39 Å²	39	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-60.2	-41.7	173.5	-65.2	0	0	0	0	112	M330 Q342 P359 H367	M330-S363 WeakPolarHBondContact CA-OG 3.22Å; Q342-S363 VanDerWaalsContact NE2-C 3.25Å; Q342-S363 PolarHBondContact NE2-O 3.33Å; P359-S363 WeakPolarHBondContact O-CB 3.46Å; P359-S363 PolarHBondContact O-N 2.95Å; P359-S363 PolarHBondContact O-OG 3.25Å; S363-H367 VanDerWaalsContact O-CB 3.3Å; S363-H367 WeakPolarHBondContact O-CB 3.49Å; S363-H367 PolarHBondContact O-N 2.95Å
364	L	98.8	Very high	95.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.9	-37.7	174.6	179.7	63.8	0	0	0	111.9	M346 K360 A361 L362 H367 A368 T432 V435 L436 V439	M346-L364 HydrophobicContact CB-CD2 4.37Å; M346-L364 HydrophobicContact CE-CB 4.48Å; M346-L364 HydrophobicContact CE-CD2 4.34Å; M346-L364 HydrophobicContact CG-CD2 3.83Å; K360-L364 WeakPolarHBondContact O-CB 3.46Å; K360-L364 PolarHBondContact O-N 3.05Å; A361-L364 PolarHBondContact O-N 2.85Å; L362-L364 VanDerWaalsContact C-N 3.34Å; L362-L364 PolarHBondContact O-N 3.02Å; L364-H367 PolarHBondContact O-N 3.09Å; L364-A368 VanDerWaalsContact O-CB 3.3Å; L364-A368 WeakPolarHBondContact O-CB 3.42Å; L364-A368 PolarHBondContact O-N 2.85Å; L364-T432 HydrophobicContact CD1-CG2 4Å; L364-V435 HydrophobicContact CD2-CG1 3.9Å; L364-L436 HydrophobicContact CD2-CB 4.35Å; L364-L436 HydrophobicContact CG-CB 4.49Å; L364-L436 HydrophobicContact CG-CD1 4.44Å; L364-V439 HydrophobicContact CD2-CG2 4.21Å
365	L	98.8	Very high	96.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.8	-43.5	178.3	-170.1	148.9	0	0	0	111.4	V235 F238 L239 M244 I256 A361 L362 A368 A369 L436	V235-L365 HydrophobicContact CB-CD2 4.14Å; V235-L365 HydrophobicContact CG1-CD2 3.82Å; V235-L365 HydrophobicContact CG2-CD2 4.02Å; F238-L365 HydrophobicContact CB-CD1 4.3Å; F238-L365 HydrophobicContact CB-CD2 4.3Å; F238-L365 HydrophobicContact CB-CG 4.31Å; F238-L365 HydrophobicContact CD2-CG 4.46Å; L239-L365 HydrophobicContact CD2-CD1 3.76Å; L239-L365 HydrophobicContact CG-CD1 4.31Å; L239-L365 HydrophobicContact CG-CD2 4.42Å; M244-L365 HydrophobicContact CE-CD1 4.2Å; M244-L365 HydrophobicContact SD-CD1 4Å; I256-L365 HydrophobicContact CD1-CB 4.29Å; I256-L365 HydrophobicContact CD1-CD2 3.57Å; I256-L365 HydrophobicContact CD1-CG 4.44Å; A361-L365 WeakPolarHBondContact O-CB 3.38Å; A361-L365 PolarHBondContact O-N 2.65Å; L362-L365 PolarHBondContact O-N 3.28Å; L365-A368 PolarHBondContact O-N 3.29Å; L365-A369 WeakPolarHBondContact O-CB 3.1Å; L365-A369 PolarHBondContact O-N 3.36Å; L365-L436 HydrophobicContact CB-CD1 4.09Å; L365-L436 HydrophobicContact CD1-CD1 4.49Å; L365-L436 HydrophobicContact CG-CD1 4.39Å
366	L	98.9	Very high	97.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.3	-47.6	174	178	59.6	0	0	0	110.9	V231 V235 A259 A260 M330 T334 L362 A368 A369 D370	V231-L366 HydrophobicContact CG1-CD1 3.73Å; V235-L366 HydrophobicContact CG2-CD1 3.94Å; A259-L366 HydrophobicContact CB-CD2 4.03Å; A260-L366 HydrophobicContact CB-CD1 3.7Å; M330-L366 HydrophobicContact CB-CD2 3.83Å; T334-L366 HydrophobicContact CG2-CD2 3.89Å; T334-L366 HydrophobicContact CG2-CG 3.92Å; L362-L366 PolarHBondContact O-N 3.02Å; L366-A368 VanDerWaalsContact C-N 3.31Å; L366-A368 PolarHBondContact O-N 3.23Å; L366-A369 WeakPolarHBondContact O-CB 3.32Å; L366-A369 PolarHBondContact O-N 3.4Å; L366-D370 PolarHBondContact O-N 3.16Å
367	H	98.9	Very high	97.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-56.4	-45.1	177.1	-171.5	59.2	0	0	0	112.2	M336 H339 S363 L364 A369 D370 I371	M336-H367 VanDerWaalsContact SD-CE1 3.51Å; H339-H367 AromaticContact CG-NE2 3.95Å; H339-H367 AromaticContact ND1-CD2 3.86Å; H339-H367 AromaticContact ND1-NE2 3.26Å; H339-H367 PolarHBondContact ND1-NE2 2.89Å; S363-H367 VanDerWaalsContact O-CB 3.3Å; S363-H367 WeakPolarHBondContact O-CB 3.49Å; S363-H367 PolarHBondContact O-N 2.95Å; L364-H367 PolarHBondContact O-N 3.09Å; H367-A369 VanDerWaalsContact C-N 3.32Å; H367-A369 PolarHBondContact O-N 3.32Å; H367-D370 WeakPolarHBondContact O-CB 3.31Å; H367-D370 PolarHBondContact O-N 3.08Å; H367-I371 WeakPolarHBondContact O-CG1 3.41Å; H367-I371 PolarHBondContact O-N 3.43Å; H367-I371 VanDerWaalsContact O-N 3.15Å
368	A	98.9	Very high	98	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.3	-34.9	176.8	0	0	0	0	0	113	F238 L364 L365 L366 S372 T432 F433 L436	F238-A368 HydrophobicContact CE2-CB 4.23Å; L364-A368 VanDerWaalsContact O-CB 3.3Å; L364-A368 WeakPolarHBondContact O-CB 3.42Å; L364-A368 PolarHBondContact O-N 2.85Å; L365-A368 PolarHBondContact O-N 3.29Å; L366-A368 VanDerWaalsContact C-N 3.31Å; L366-A368 PolarHBondContact O-N 3.23Å; A368-S372 WeakPolarHBondContact O-CA 3.38Å; A368-S372 VanDerWaalsContact O-CB 3.31Å; A368-S372 WeakPolarHBondContact O-CB 3.26Å; A368-S372 PolarHBondContact O-N 3.37Å; A368-T432 HydrophobicContact CB-CG2 3.81Å; A368-F433 HydrophobicContact CB-CE2 4.35Å; A368-F433 WeakPolarHBondContact O-CZ 3.45Å; A368-L436 HydrophobicContact CB-CD2 3.57Å
369	A	98.9	Very high	98.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-68.9	-38.4	176.3	0	0	0	0	0	111.8	V231 T234 V235 F238 L365 L366 H367 S372	V231-A369 HydrophobicContact CG1-CB 4.06Å; T234-A369 HydrophobicContact CG2-CB 3.82Å; V235-A369 HydrophobicContact CG2-CB 3.49Å; V235-A369 VanDerWaalsContact CG2-CB 3.49Å; F238-A369 HydrophobicContact CD2-CB 4.37Å; F238-A369 HydrophobicContact CE2-CB 4.18Å; L365-A369 WeakPolarHBondContact O-CB 3.1Å; L365-A369 PolarHBondContact O-N 3.36Å; L366-A369 WeakPolarHBondContact O-CB 3.32Å; L366-A369 PolarHBondContact O-N 3.4Å; H367-A369 VanDerWaalsContact C-N 3.32Å; H367-A369 PolarHBondContact O-N 3.32Å; A369-S372 WeakPolarHBondContact O-CB 3.42Å; A369-S372 PolarHBondContact O-N 2.86Å; A369-S372 PolarHBondContact O-OG 3.19Å
370	D	98.9	Very high	98.4	Very high	19 Å²	19	17 Å²	17	10%	0.102	9%	0.087	C	C	.	.	H	α-helix	trans	-60.5	-51.2	175.3	-179.5	10.8	0	0	0	111.3	H227 V231 H263 L366 H367 S372	H227-D370 IonicContact CE1-OD1 2.67Å; H227-D370 PolarHBondContact CE1-OD1 2.81Å; H227-D370 IonicContact NE2-OD1 3.56Å; H227-D370 PolarHBondContact NE2-OD1 3.18Å; V231-D370 HydrophobicContact CG1-CB 4.48Å; V231-D370 HydrophobicContact CG2-CB 4.48Å; H263-D370 IonicContact NE2-OD1 3.46Å; L366-D370 PolarHBondContact O-N 3.16Å; H367-D370 WeakPolarHBondContact O-CB 3.31Å; H367-D370 PolarHBondContact O-N 3.08Å; D370-S372 PolarHBondContact O-N 2.88Å; D370-S372 VanDerWaalsContact O-N 3.14Å
371	I	98.6	Very high	98.5	Very high	8 Å²	8	12.3 Å²	12.3	4%	0.041	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	18.5	177.6	69.8	168.7	0	0	0	114.3	M336 H367 H373 P374 F424 I428 V429 T432	M336-I371 HydrophobicContact SD-CG2 4.01Å; H367-I371 WeakPolarHBondContact O-CG1 3.41Å; H367-I371 PolarHBondContact O-N 3.43Å; H367-I371 VanDerWaalsContact O-N 3.15Å; I371-H373 PolarHBondContact O-N 3.14Å; I371-P374 VanDerWaalsContact O-CD 3.22Å; I371-P374 WeakPolarHBondContact O-CD 3.42Å; I371-F424 HydrophobicContact CB-CZ 4.13Å; I371-F424 HydrophobicContact CG2-CZ 4.19Å; I371-I428 HydrophobicContact CD1-CG2 3.87Å; I371-V429 HydrophobicContact CD1-CG2 4.49Å; I371-T432 HydrophobicContact CD1-CG2 4.11Å
372	S	98.8	Very high	98.5	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.007	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-16	-166.5	68.1	0	0	0	0	115.5	A368 A369 D370 P374 T375 K376	A368-S372 WeakPolarHBondContact O-CA 3.38Å; A368-S372 VanDerWaalsContact O-CB 3.31Å; A368-S372 WeakPolarHBondContact O-CB 3.26Å; A368-S372 PolarHBondContact O-N 3.37Å; A369-S372 WeakPolarHBondContact O-CB 3.42Å; A369-S372 PolarHBondContact O-N 2.86Å; A369-S372 PolarHBondContact O-OG 3.19Å; D370-S372 PolarHBondContact O-N 2.88Å; D370-S372 VanDerWaalsContact O-N 3.14Å; S372-P374 VanDerWaalsContact C-N 3.26Å; S372-P374 VanDerWaalsContact O-N 3.07Å; S372-T375 WeakPolarHBondContact O-CA 3.38Å; S372-T375 WeakPolarHBondContact O-CB 3.49Å; S372-T375 PolarHBondContact O-N 3.44Å; S372-T375 PolarHBondContact O-OG1 3.29Å; S372-K376 PolarHBondContact OG-NZ 3.09Å
373	H	98.6	Very high	98.4	Very high	4 Å²	4	17 Å²	17	2%	0.019	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-54.9	-30.6	-171.3	74.4	71.3	0	0	0	114.7	I371 T375 K376 H381 W384	I371-H373 PolarHBondContact O-N 3.14Å; H373-T375 PolarHBondContact O-N 3.06Å; H373-K376 PolarHBondContact O-N 3.25Å; H373-H381 AromaticContact CE1-CE1 3.69Å; H373-H381 AromaticContact CE1-ND1 3.57Å; H373-H381 AromaticContact ND1-CE1 3.53Å; H373-H381 AromaticContact ND1-ND1 2.98Å; H373-H381 PolarHBondContact ND1-ND1 3.15Å; H373-H381 WeakPolarHBondContact O-CB 3.43Å; H373-W384 HydrophobicContact CB-CB 3.83Å; H373-W384 HydrophobicContact CB-CG 3.94Å
374	P	98.8	Very high	98.4	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-71.3	-11.5	174.5	-21	38	0	0	0	114.5	I371 S372 F424 I425 V429 N492	I371-P374 VanDerWaalsContact O-CD 3.22Å; I371-P374 WeakPolarHBondContact O-CD 3.42Å; S372-P374 VanDerWaalsContact C-N 3.26Å; S372-P374 VanDerWaalsContact O-N 3.07Å; P374-F424 HydrophobicContact CG-CD1 4.19Å; P374-F424 HydrophobicContact CG-CE1 4.17Å; P374-I425 HydrophobicContact CB-CD1 4.15Å; P374-I425 HydrophobicContact CB-CG1 3.74Å; P374-I425 HydrophobicContact CG-CG1 4.45Å; P374-V429 HydrophobicContact CB-CG2 4.36Å; P374-V429 HydrophobicContact CG-CG2 3.97Å; P374-N492 PolarHBondContact O-ND2 3.38Å
375	T	98.8	Very high	98.4	Very high	1 Å²	1	17 Å²	17	1%	0.006	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-92.6	-0.6	173.8	74.4	0	0	0	0	112.8	W164 S372 H373 V429 F433 W485 H488 I489	W164-T375 WeakPolarHBondContact CZ2-OG1 3.42Å; W164-T375 PolarHBondContact NE1-O 2.93Å; S372-T375 WeakPolarHBondContact O-CA 3.38Å; S372-T375 WeakPolarHBondContact O-CB 3.49Å; S372-T375 PolarHBondContact O-N 3.44Å; S372-T375 PolarHBondContact O-OG1 3.29Å; H373-T375 PolarHBondContact O-N 3.06Å; T375-V429 HydrophobicContact CG2-CG1 3.76Å; T375-F433 HydrophobicContact CG2-CD1 4.08Å; T375-F433 HydrophobicContact CG2-CD2 4.01Å; T375-F433 HydrophobicContact CG2-CE1 3.68Å; T375-F433 HydrophobicContact CG2-CE2 3.61Å; T375-F433 HydrophobicContact CG2-CG 4.23Å; T375-F433 HydrophobicContact CG2-CZ 3.43Å; T375-F433 VanDerWaalsContact CG2-CZ 3.43Å; T375-W485 HydrophobicContact CG2-CB 4.3Å; T375-H488 WeakPolarHBondContact O-CB 3.45Å; T375-H488 PolarHBondContact O-CD2 3.2Å; T375-H488 VanDerWaalsContact O-CG 3.27Å; T375-I489 HydrophobicContact CG2-CG2 3.78Å
376	K	98.7	Very high	98.2	Very high	6 Å²	6	19.7 Å²	19.7	3%	0.026	10%	0.095	C	C	.	.	S	Bend	trans	-93.6	172.5	177.2	-61.9	-167	168	95.3	0	111.3	D230 T234 S372 H373 V380 N492	D230-K376 WeakPolarHBondContact OD1-CE 3.47Å; D230-K376 IonicContact OD1-NZ 3.45Å; D230-K376 PolarHBondContact OD1-NZ 3.3Å; D230-K376 IonicContact OD2-NZ 3.4Å; D230-K376 PolarHBondContact OD2-NZ 3.47Å; T234-K376 WeakPolarHBondContact OG1-CE 3.3Å; T234-K376 PolarHBondContact OG1-NZ 2.82Å; S372-K376 PolarHBondContact OG-NZ 3.09Å; H373-K376 PolarHBondContact O-N 3.25Å; K376-V380 HydrophobicContact CB-CB 4.28Å; K376-V380 HydrophobicContact CB-CG1 4.14Å; K376-V380 HydrophobicContact CD-CG1 3.81Å; K376-N492 PolarHBondContact O-ND2 3.44Å
377	Q	98.2	Very high	98.1	Very high	95 Å²	95	20.5 Å²	20.5	44%	0.444	10%	0.102	S	C	.	.			trans	-56.3	145.6	174.1	-68.2	-171.9	1.3	0	0	111.3	S379 V380 H381	Q377-S379 VanDerWaalsContact C-N 3.25Å; Q377-S379 PolarHBondContact O-N 2.8Å; Q377-S379 VanDerWaalsContact O-N 3.11Å; Q377-V380 PolarHBondContact O-N 2.68Å; Q377-H381 PolarHBondContact O-N 3.44Å
378	W	97.9	Very high	98	Very high	38 Å²	38	21.6 Å²	21.6	14%	0.144	11%	0.108	C	C	.	.	H	α-helix	trans	-49.7	-41.1	-176.6	173.1	-100.2	0	0	0	114.5	V380 H381 S382 N492 K495 W496 L513	W378-V380 VanDerWaalsContact C-N 3.3Å; W378-V380 PolarHBondContact O-N 2.6Å; W378-H381 PolarHBondContact O-N 3.29Å; W378-S382 VanDerWaalsContact O-CB 3.25Å; W378-S382 WeakPolarHBondContact O-CB 3.43Å; W378-S382 PolarHBondContact O-N 3.48Å; W378-S382 PolarHBondContact O-OG 3.49Å; W378-N492 WeakPolarHBondContact CA-OD1 3.35Å; W378-N492 HydrophobicContact CE3-CB 4.4Å; W378-K495 HydrophobicContact CB-CD 3.72Å; W378-K495 HydrophobicContact CD2-CB 4.04Å; W378-K495 HydrophobicContact CD2-CD 3.21Å; W378-K495 HydrophobicContact CD2-CG 4.26Å; W378-K495 HydrophobicContact CE3-CB 3.63Å; W378-K495 HydrophobicContact CE3-CD 3.5Å; W378-K495 VanDerWaalsContact CE3-CD 3.5Å; W378-K495 HydrophobicContact CE3-CG 4.19Å; W378-K495 HydrophobicContact CG-CD 3.28Å; W378-K495 HydrophobicContact CH2-CB 3.89Å; W378-K495 HydrophobicContact CZ2-CB 4.28Å; W378-K495 HydrophobicContact CZ3-CB 3.53Å; W378-K495 HydrophobicContact CZ3-CD 4.27Å; W378-W496 AromaticContact CH2-CD2 3.73Å; W378-W496 HydrophobicContact CH2-CD2 3.73Å; W378-W496 AromaticContact CH2-CE2 3.58Å; W378-W496 AromaticContact CH2-CE3 3.92Å; W378-W496 HydrophobicContact CH2-CE3 3.92Å; W378-W496 HydrophobicContact CH2-CG 4.36Å; W378-W496 AromaticContact CH2-CH2 3.88Å; W378-W496 HydrophobicContact CH2-CH2 3.88Å; W378-W496 AromaticContact CH2-CZ2 3.66Å; W378-W496 HydrophobicContact CH2-CZ2 3.66Å; W378-W496 HydrophobicContact CH2-CZ3 4.01Å; W378-W496 AromaticContact CZ3-CD1 4Å; W378-W496 AromaticContact CZ3-CD2 3.91Å; W378-W496 HydrophobicContact CZ3-CD2 3.91Å; W378-W496 AromaticContact CZ3-CE2 3.56Å; W378-W496 HydrophobicContact CZ3-CG 4.17Å; W378-W496 AromaticContact CZ3-CZ2 3.93Å; W378-W496 HydrophobicContact CZ3-CZ2 3.93Å; W378-W496 AromaticContact CZ3-NE1 3.62Å; W378-L513 HydrophobicContact CZ2-CD2 4.18Å
379	S	96.9	Very high	97.7	Very high	63 Å²	63	21.7 Å²	21.7	44%	0.441	11%	0.108	S	C	.	.	H	α-helix	trans	-60.3	-39.8	179.9	48	0	0	0	0	112.3	Q377 S382 R383	Q377-S379 VanDerWaalsContact C-N 3.25Å; Q377-S379 PolarHBondContact O-N 2.8Å; Q377-S379 VanDerWaalsContact O-N 3.11Å; S379-S382 PolarHBondContact O-OG 2.85Å; S379-R383 WeakPolarHBondContact O-CB 3.23Å; S379-R383 PolarHBondContact O-N 3.48Å
380	V	97.9	Very high	97.7	Very high	12 Å²	12	24.3 Å²	24.3	7%	0.073	12%	0.12	C	C	.	.	H	α-helix	trans	-74.5	-47.7	175.6	177	0	0	0	0	110.2	F169 K376 Q377 W378 S382 R383 W384	F169-V380 HydrophobicContact CE2-CG1 4.17Å; K376-V380 HydrophobicContact CB-CB 4.28Å; K376-V380 HydrophobicContact CB-CG1 4.14Å; K376-V380 HydrophobicContact CD-CG1 3.81Å; Q377-V380 PolarHBondContact O-N 2.68Å; W378-V380 VanDerWaalsContact C-N 3.3Å; W378-V380 PolarHBondContact O-N 2.6Å; V380-S382 PolarHBondContact O-N 3.19Å; V380-R383 PolarHBondContact O-N 3.26Å; V380-W384 PolarHBondContact O-N 3.28Å
381	H	98.6	Very high	97.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.7	-52.5	-179.6	173.3	25.2	0	0	0	112.6	H373 Q377 W378 R383 W384 T385 Q421 N492 W496	H373-H381 AromaticContact CE1-CE1 3.69Å; H373-H381 AromaticContact CE1-ND1 3.57Å; H373-H381 AromaticContact ND1-CE1 3.53Å; H373-H381 AromaticContact ND1-ND1 2.98Å; H373-H381 PolarHBondContact ND1-ND1 3.15Å; H373-H381 WeakPolarHBondContact O-CB 3.43Å; Q377-H381 PolarHBondContact O-N 3.44Å; W378-H381 PolarHBondContact O-N 3.29Å; H381-R383 VanDerWaalsContact C-N 3.29Å; H381-R383 PolarHBondContact O-N 2.87Å; H381-W384 PolarHBondContact O-N 3.09Å; H381-T385 PolarHBondContact CE1-OG1 3.27Å; H381-T385 PolarHBondContact ND1-OG1 3.35Å; H381-T385 PolarHBondContact O-N 3.28Å; H381-T385 PolarHBondContact O-OG1 2.95Å; H381-T385 VanDerWaalsContact O-OG1 3.14Å; H381-Q421 PolarHBondContact CE1-OE1 3.27Å; H381-N492 VanDerWaalsContact CD2-CG 3.46Å; H381-N492 PolarHBondContact CD2-ND2 3.43Å; H381-W496 AromaticContact CD2-NE1 3.71Å; H381-W496 AromaticContact CE1-NE1 3.76Å; H381-W496 AromaticContact NE2-CD1 3.85Å; H381-W496 AromaticContact NE2-CE2 3.82Å; H381-W496 AromaticContact NE2-NE1 2.9Å; H381-W496 PolarHBondContact NE2-NE1 2.92Å
382	S	96.8	Very high	97.4	Very high	10 Å²	10	25.3 Å²	25.3	7%	0.07	12%	0.124	C	C	.	.	H	α-helix	trans	-62.6	-36.5	-177.6	53.4	0	0	0	0	112.1	W378 S379 V380 T385 K386	W378-S382 VanDerWaalsContact O-CB 3.25Å; W378-S382 WeakPolarHBondContact O-CB 3.43Å; W378-S382 PolarHBondContact O-N 3.48Å; W378-S382 PolarHBondContact O-OG 3.49Å; S379-S382 PolarHBondContact O-OG 2.85Å; V380-S382 PolarHBondContact O-N 3.19Å; S382-T385 PolarHBondContact O-N 2.94Å; S382-K386 WeakPolarHBondContact O-CB 3.44Å; S382-K386 PolarHBondContact O-N 2.91Å
383	R	97.8	Very high	97.4	Very high	98 Å²	98	25.4 Å²	25.4	37%	0.37	12%	0.124	S	C	.	.	H	α-helix	trans	-64.1	-46	173.8	-179.1	170	175.6	165.3	3.3	111.8	F169 S379 V380 H381 K386 A387	F169-R383 VanDerWaalsContact CD1-NE 3.29Å; F169-R383 HydrophobicContact CE1-CG 4.27Å; F169-R383 VanDerWaalsContact CE1-NE 3.31Å; F169-R383 HydrophobicContact CE2-CB 4.23Å; F169-R383 HydrophobicContact CE2-CG 3.9Å; F169-R383 VanDerWaalsContact CG-CZ 3.46Å; F169-R383 HydrophobicContact CZ-CB 4.42Å; F169-R383 HydrophobicContact CZ-CG 3.73Å; S379-R383 WeakPolarHBondContact O-CB 3.23Å; S379-R383 PolarHBondContact O-N 3.48Å; V380-R383 PolarHBondContact O-N 3.26Å; H381-R383 VanDerWaalsContact C-N 3.29Å; H381-R383 PolarHBondContact O-N 2.87Å; R383-K386 PolarHBondContact O-N 3.09Å; R383-A387 PolarHBondContact O-N 2.96Å
384	W	98.6	Very high	97.4	Very high	3 Å²	3	30.3 Å²	30.3	1%	0.011	14%	0.142	C	C	.	.	H	α-helix	trans	-63.1	-43.1	174.6	-82.2	133.1	0	0	0	112.4	V168 F169 Y222 I226 H227 D230 H373 V380 H381 K386 A387 L388	V168-W384 HydrophobicContact CG1-CZ2 4.16Å; F169-W384 HydrophobicContact CE1-CH2 4.03Å; F169-W384 AromaticContact CE1-CZ2 3.95Å; F169-W384 HydrophobicContact CE1-CZ2 3.95Å; F169-W384 HydrophobicContact CE1-CZ3 4.45Å; F169-W384 HydrophobicContact CE2-CD2 4.4Å; F169-W384 AromaticContact CE2-CE2 3.94Å; F169-W384 HydrophobicContact CE2-CZ2 4.32Å; F169-W384 AromaticContact CE2-NE1 3.89Å; F169-W384 AromaticContact CZ-CD2 3.7Å; F169-W384 HydrophobicContact CZ-CD2 3.7Å; F169-W384 AromaticContact CZ-CE2 3.41Å; F169-W384 VanDerWaalsContact CZ-CE2 3.41Å; F169-W384 HydrophobicContact CZ-CE3 4.14Å; F169-W384 HydrophobicContact CZ-CG 4.21Å; F169-W384 AromaticContact CZ-CH2 3.97Å; F169-W384 HydrophobicContact CZ-CH2 3.97Å; F169-W384 AromaticContact CZ-CZ2 3.57Å; F169-W384 HydrophobicContact CZ-CZ2 3.57Å; F169-W384 HydrophobicContact CZ-CZ3 4.26Å; F169-W384 AromaticContact CZ-NE1 3.85Å; Y222-W384 HydrophobicContact CD2-CD2 4.47Å; Y222-W384 AromaticContact CD2-CE3 3.53Å; Y222-W384 HydrophobicContact CD2-CE3 3.53Å; Y222-W384 HydrophobicContact CD2-CZ3 4.09Å; Y222-W384 HydrophobicContact CE2-CB 4.19Å; Y222-W384 HydrophobicContact CE2-CD2 4.14Å; Y222-W384 AromaticContact CE2-CE3 3.59Å; Y222-W384 HydrophobicContact CE2-CE3 3.59Å; Y222-W384 HydrophobicContact CE2-CG 4.42Å; Y222-W384 HydrophobicContact CE2-CZ3 4.34Å; Y222-W384 HydrophobicContact CG-CE3 4.4Å; I226-W384 HydrophobicContact CB-CH2 4.01Å; I226-W384 HydrophobicContact CG2-CH2 3.85Å; I226-W384 HydrophobicContact CG2-CZ2 3.98Å; H227-W384 VanDerWaalsContact CA-CH2 3.47Å; H227-W384 HydrophobicContact CB-CH2 3.71Å; H227-W384 HydrophobicContact CB-CZ2 4.45Å; H227-W384 HydrophobicContact CB-CZ3 3.98Å; D230-W384 HydrophobicContact CB-CZ2 4.02Å; D230-W384 PolarHBondContact OD2-NE1 3.25Å; H373-W384 HydrophobicContact CB-CB 3.83Å; H373-W384 HydrophobicContact CB-CG 3.94Å; V380-W384 PolarHBondContact O-N 3.28Å; H381-W384 PolarHBondContact O-N 3.09Å; W384-K386 VanDerWaalsContact C-N 3.34Å; W384-K386 PolarHBondContact O-N 3.01Å; W384-A387 HydrophobicContact CE3-CB 4.39Å; W384-A387 PolarHBondContact O-N 3.4Å; W384-L388 PolarHBondContact O-N 3.41Å
385	T	97.3	Very high	97.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.7	-45.4	174.7	-62.2	0	0	0	0	111.3	H381 S382 A387 L388 M389 V417 Q421 W496	H381-T385 PolarHBondContact CE1-OG1 3.27Å; H381-T385 PolarHBondContact ND1-OG1 3.35Å; H381-T385 PolarHBondContact O-N 3.28Å; H381-T385 PolarHBondContact O-OG1 2.95Å; H381-T385 VanDerWaalsContact O-OG1 3.14Å; S382-T385 PolarHBondContact O-N 2.94Å; T385-A387 VanDerWaalsContact C-N 3.35Å; T385-A387 PolarHBondContact O-N 3.05Å; T385-L388 PolarHBondContact O-N 2.95Å; T385-M389 HydrophobicContact CG2-CG 4.29Å; T385-M389 VanDerWaalsContact O-CG 3.29Å; T385-M389 WeakPolarHBondContact O-CG 3.5Å; T385-M389 PolarHBondContact O-N 3.18Å; T385-V417 HydrophobicContact CG2-CG1 3.95Å; T385-Q421 HydrophobicContact CG2-CG 3.69Å; T385-Q421 PolarHBondContact OG1-OE1 2.97Å; T385-W496 HydrophobicContact CG2-CH2 3.85Å; T385-W496 HydrophobicContact CG2-CZ2 3.77Å
386	K	95.4	Very high	97.2	Very high	55 Å²	55	30.4 Å²	30.4	24%	0.239	14%	0.142	C	C	.	.	H	α-helix	trans	-59	-46	177	176.3	169.6	-172.1	157.5	0	111.6	S382 R383 W384 M389 E390 I510 L513	S382-K386 WeakPolarHBondContact O-CB 3.44Å; S382-K386 PolarHBondContact O-N 2.91Å; R383-K386 PolarHBondContact O-N 3.09Å; W384-K386 VanDerWaalsContact C-N 3.34Å; W384-K386 PolarHBondContact O-N 3.01Å; K386-M389 PolarHBondContact O-N 3.15Å; K386-E390 PolarHBondContact O-N 2.94Å; K386-I510 HydrophobicContact CD-CG2 4.41Å; K386-I510 WeakPolarHBondContact CD-O 3.33Å; K386-I510 VanDerWaalsContact CE-O 3.26Å; K386-I510 WeakPolarHBondContact CE-O 3.33Å; K386-I510 HydrophobicContact CG-CG2 3.9Å; K386-I510 PolarHBondContact NZ-O 3.28Å; K386-L513 HydrophobicContact CB-CB 4.1Å; K386-L513 HydrophobicContact CB-CD1 4.12Å; K386-L513 HydrophobicContact CD-CB 4Å; K386-L513 HydrophobicContact CG-CB 4.49Å
387	A	97.1	Very high	97.2	Very high	18 Å²	18	33 Å²	33	15%	0.149	16%	0.157	C	C	.	.	H	α-helix	trans	-59.7	-47.9	177.1	0	0	0	0	0	111.9	P221 Y222 R383 W384 T385 M389 E390 E391	P221-A387 HydrophobicContact CB-CB 4.48Å; P221-A387 WeakPolarHBondContact CB-O 3.39Å; P221-A387 WeakPolarHBondContact O-CB 3.49Å; Y222-A387 HydrophobicContact CD2-CB 4.27Å; R383-A387 PolarHBondContact O-N 2.96Å; W384-A387 HydrophobicContact CE3-CB 4.39Å; W384-A387 PolarHBondContact O-N 3.4Å; T385-A387 VanDerWaalsContact C-N 3.35Å; T385-A387 PolarHBondContact O-N 3.05Å; A387-M389 PolarHBondContact O-N 3.12Å; A387-E390 PolarHBondContact O-N 3.45Å; A387-E391 PolarHBondContact O-N 3.36Å
388	L	95.8	Very high	97.2	Very high	23 Å²	23	32.4 Å²	32.4	12%	0.12	15%	0.153	C	C	.	.	H	α-helix	trans	-64.8	-41	-179.4	-172.2	60.4	0	0	0	112.3	Y222 W384 T385 E391 F392	Y222-L388 HydrophobicContact CD1-CD1 3.9Å; Y222-L388 HydrophobicContact CD2-CB 3.61Å; Y222-L388 HydrophobicContact CD2-CD1 4.17Å; Y222-L388 HydrophobicContact CD2-CG 4.38Å; Y222-L388 HydrophobicContact CE1-CD1 4.34Å; Y222-L388 HydrophobicContact CE2-CB 4.11Å; Y222-L388 HydrophobicContact CG-CB 4.03Å; Y222-L388 HydrophobicContact CG-CD1 3.81Å; Y222-L388 HydrophobicContact CG-CG 4.49Å; W384-L388 PolarHBondContact O-N 3.41Å; T385-L388 PolarHBondContact O-N 2.95Å; L388-E391 PolarHBondContact O-N 2.94Å; L388-F392 HydrophobicContact CD1-CD1 4.43Å; L388-F392 HydrophobicContact CD1-CE1 3.83Å; L388-F392 HydrophobicContact CD1-CE2 4.29Å; L388-F392 HydrophobicContact CD1-CZ 3.75Å; L388-F392 HydrophobicContact CD2-CE2 4.15Å; L388-F392 HydrophobicContact CD2-CZ 4.11Å; L388-F392 HydrophobicContact CG-CD2 4.39Å; L388-F392 HydrophobicContact CG-CE1 4.31Å; L388-F392 HydrophobicContact CG-CE2 3.88Å; L388-F392 HydrophobicContact CG-CZ 3.84Å; L388-F392 PolarHBondContact O-N 2.95Å
389	M	94.2	Very high	97.2	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-64.4	-43.9	176.7	-66.5	-58.5	91.7	0	0	111.8	T385 K386 A387 E391 F392 F393 T415 V417 I510	T385-M389 HydrophobicContact CG2-CG 4.29Å; T385-M389 VanDerWaalsContact O-CG 3.29Å; T385-M389 WeakPolarHBondContact O-CG 3.5Å; T385-M389 PolarHBondContact O-N 3.18Å; K386-M389 PolarHBondContact O-N 3.15Å; A387-M389 PolarHBondContact O-N 3.12Å; M389-E391 PolarHBondContact O-N 3.3Å; M389-F392 HydrophobicContact CE-CD2 3.44Å; M389-F392 VanDerWaalsContact CE-CD2 3.44Å; M389-F392 HydrophobicContact CE-CE2 3.68Å; M389-F392 PolarHBondContact O-N 3.25Å; M389-F393 HydrophobicContact CB-CE2 4.36Å; M389-F393 HydrophobicContact CB-CZ 4.27Å; M389-F393 WeakPolarHBondContact O-CB 3.34Å; M389-F393 WeakPolarHBondContact O-CD1 3.49Å; M389-F393 WeakPolarHBondContact O-CD2 3.24Å; M389-F393 WeakPolarHBondContact O-CG 3.27Å; M389-F393 PolarHBondContact O-N 3.49Å; M389-T415 HydrophobicContact SD-CG2 4.49Å; M389-V417 HydrophobicContact CG-CG1 4.01Å; M389-V417 HydrophobicContact CG-CG2 4.07Å; M389-V417 HydrophobicContact SD-CG1 4.32Å; M389-V417 HydrophobicContact SD-CG2 4.13Å; M389-I510 HydrophobicContact CB-CD1 4.12Å
390	E	97.3	Very high	97.3	Very high	55 Å²	55	30 Å²	30	26%	0.257	15%	0.145	S	C	.	.	H	α-helix	trans	-60.2	-36.2	175.1	172	56.2	-163.8	0	0	111.6	P221 K386 A387 F393 R394 R412	P221-E390 HydrophobicContact CB-CB 4.38Å; P221-E390 HydrophobicContact CB-CG 4.19Å; P221-E390 HydrophobicContact CG-CB 4.42Å; P221-E390 HydrophobicContact CG-CG 3.83Å; K386-E390 PolarHBondContact O-N 2.94Å; A387-E390 PolarHBondContact O-N 3.45Å; E390-F393 PolarHBondContact O-N 3Å; E390-R394 VanDerWaalsContact O-CG 3.32Å; E390-R394 WeakPolarHBondContact O-CG 3.35Å; E390-R394 PolarHBondContact O-N 3.04Å; E390-R394 IonicContact OE1-CZ 2.83Å; E390-R394 IonicContact OE1-NE 3.72Å; E390-R394 PolarHBondContact OE1-NE 2.94Å; E390-R394 IonicContact OE1-NH2 3.72Å; E390-R394 PolarHBondContact OE1-NH2 3.4Å; E390-R412 IonicContact OE2-NH1 2.68Å
391	E	97.9	Very high	97.3	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.019	18%	0.179	C	C	.	.	H	α-helix	trans	-68.2	-45.8	175.5	-165	169.5	128.7	0	0	113	N220 P221 Y222 H223 H267 G269 A387 L388 M389 F393 R394 Q395	N220-E391 WeakPolarHBondContact CB-OE2 3.29Å; P221-E391 HydrophobicContact CB-CB 4.27Å; P221-E391 WeakPolarHBondContact CD-OE2 3.39Å; P221-E391 HydrophobicContact CG-CB 4.1Å; Y222-E391 WeakPolarHBondContact CA-OE2 3.41Å; Y222-E391 WeakPolarHBondContact CB-OE2 3.13Å; Y222-E391 PolarHBondContact N-OE2 3.28Å; H223-E391 IonicContact CE1-OE1 2.64Å; H223-E391 IonicContact CG-OE1 3.52Å; H223-E391 PolarHBondContact N-OE2 3.32Å; H223-E391 VanDerWaalsContact N-OE2 3.14Å; H223-E391 IonicContact ND1-OE1 3.7Å; H223-E391 PolarHBondContact ND1-OE1 3.2Å; H223-E391 IonicContact ND1-OE2 3.07Å; H267-E391 IonicContact CE1-OE1 3.4Å; H267-E391 IonicContact ND1-OE1 3.83Å; G269-E391 VanDerWaalsContact CA-OE1 3.24Å; G269-E391 WeakPolarHBondContact CA-OE1 3.34Å; A387-E391 PolarHBondContact O-N 3.36Å; L388-E391 PolarHBondContact O-N 2.94Å; M389-E391 PolarHBondContact O-N 3.3Å; E391-F393 VanDerWaalsContact C-N 3.26Å; E391-F393 PolarHBondContact O-N 3.22Å; E391-R394 WeakPolarHBondContact O-CB 3.39Å; E391-R394 PolarHBondContact O-N 3.41Å; E391-Q395 PolarHBondContact O-N 3.43Å
392	F	95	Very high	97.2	Very high	44 Å²	44	42.4 Å²	42.4	19%	0.193	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-38	173.1	-70.6	-15.6	0	0	0	112.2	L388 M389 Q395 G396 L409 C410	L388-F392 HydrophobicContact CD1-CD1 4.43Å; L388-F392 HydrophobicContact CD1-CE1 3.83Å; L388-F392 HydrophobicContact CD1-CE2 4.29Å; L388-F392 HydrophobicContact CD1-CZ 3.75Å; L388-F392 HydrophobicContact CD2-CE2 4.15Å; L388-F392 HydrophobicContact CD2-CZ 4.11Å; L388-F392 HydrophobicContact CG-CD2 4.39Å; L388-F392 HydrophobicContact CG-CE1 4.31Å; L388-F392 HydrophobicContact CG-CE2 3.88Å; L388-F392 HydrophobicContact CG-CZ 3.84Å; L388-F392 PolarHBondContact O-N 2.95Å; M389-F392 HydrophobicContact CE-CD2 3.44Å; M389-F392 VanDerWaalsContact CE-CD2 3.44Å; M389-F392 HydrophobicContact CE-CE2 3.68Å; M389-F392 PolarHBondContact O-N 3.25Å; F392-Q395 WeakPolarHBondContact O-CB 3.48Å; F392-Q395 PolarHBondContact O-N 3.31Å; F392-G396 PolarHBondContact O-N 3.1Å; F392-L409 HydrophobicContact CD2-CB 4.17Å; F392-L409 HydrophobicContact CE2-CD1 4.46Å; F392-C410 WeakPolarHBondContact O-CA 3.47Å; F392-C410 WeakPolarHBondContact O-CB 3.42Å; F392-C410 PolarHBondContact O-SG 3.43Å
393	F	97.3	Very high	97.3	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.013	24%	0.235	C	C	.	.	H	α-helix	trans	-67.7	-37.8	176.8	-62.6	-16	0	0	0	112.6	M389 E390 E391 Q395 G396 D397 L409 R412 T415 I510	M389-F393 HydrophobicContact CB-CE2 4.36Å; M389-F393 HydrophobicContact CB-CZ 4.27Å; M389-F393 WeakPolarHBondContact O-CB 3.34Å; M389-F393 WeakPolarHBondContact O-CD1 3.49Å; M389-F393 WeakPolarHBondContact O-CD2 3.24Å; M389-F393 WeakPolarHBondContact O-CG 3.27Å; M389-F393 PolarHBondContact O-N 3.49Å; E390-F393 PolarHBondContact O-N 3Å; E391-F393 VanDerWaalsContact C-N 3.26Å; E391-F393 PolarHBondContact O-N 3.22Å; F393-Q395 VanDerWaalsContact C-N 3.29Å; F393-Q395 PolarHBondContact O-N 3.26Å; F393-G396 PolarHBondContact O-N 2.95Å; F393-D397 PolarHBondContact O-N 3.49Å; F393-L409 WeakPolarHBondContact CE1-O 3.32Å; F393-R412 HydrophobicContact CB-CB 4.01Å; F393-R412 HydrophobicContact CD1-CB 3.84Å; F393-R412 HydrophobicContact CD2-CB 3.47Å; F393-R412 VanDerWaalsContact CD2-CB 3.47Å; F393-R412 HydrophobicContact CE1-CB 4.11Å; F393-R412 HydrophobicContact CE2-CB 3.68Å; F393-R412 HydrophobicContact CG-CB 3.53Å; F393-R412 HydrophobicContact CZ-CB 4.03Å; F393-T415 HydrophobicContact CE1-CG2 4.15Å; F393-T415 HydrophobicContact CZ-CG2 4.44Å; F393-I510 HydrophobicContact CD2-CD1 4.35Å; F393-I510 HydrophobicContact CE2-CD1 3.18Å; F393-I510 HydrophobicContact CZ-CD1 3.46Å; F393-I510 VanDerWaalsContact CZ-CD1 3.46Å
394	R	98.3	Very high	97.1	Very high	106 Å²	106	42.5 Å²	42.5	40%	0.4	23%	0.228	S	C	.	.	H	α-helix	trans	-63.2	-35	171.1	-72	175.4	-172.9	-168.7	4.5	112.3	K219 E390 E391 K398	K219-R394 PolarHBondContact O-NH1 2.93Å; E390-R394 VanDerWaalsContact O-CG 3.32Å; E390-R394 WeakPolarHBondContact O-CG 3.35Å; E390-R394 PolarHBondContact O-N 3.04Å; E390-R394 IonicContact OE1-CZ 2.83Å; E390-R394 IonicContact OE1-NE 3.72Å; E390-R394 PolarHBondContact OE1-NE 2.94Å; E390-R394 IonicContact OE1-NH2 3.72Å; E390-R394 PolarHBondContact OE1-NH2 3.4Å; E391-R394 WeakPolarHBondContact O-CB 3.39Å; E391-R394 PolarHBondContact O-N 3.41Å; R394-K398 WeakPolarHBondContact O-CG 3.44Å; R394-K398 PolarHBondContact O-N 2.98Å
395	Q	98.2	Very high	96.8	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.014	26%	0.257	C	S	.	.	H	α-helix	trans	-64.7	-46.6	170.5	-176.8	-176.9	-62.9	0	0	110.8	T270 T271 F274 E391 F392 F393 D397 K398 E399	T270-Q395 VanDerWaalsContact CA-OE1 3.25Å; T270-Q395 HydrophobicContact CG2-CB 4.16Å; T270-Q395 HydrophobicContact CG2-CG 3.97Å; T271-Q395 PolarHBondContact OG1-NE2 2.95Å; T271-Q395 PolarHBondContact OG1-OE1 3.08Å; F274-Q395 HydrophobicContact CB-CG 4.38Å; F274-Q395 HydrophobicContact CD2-CG 3.74Å; F274-Q395 HydrophobicContact CE2-CG 4.28Å; F274-Q395 HydrophobicContact CG-CG 4.13Å; E391-Q395 PolarHBondContact O-N 3.43Å; F392-Q395 WeakPolarHBondContact O-CB 3.48Å; F392-Q395 PolarHBondContact O-N 3.31Å; F393-Q395 VanDerWaalsContact C-N 3.29Å; F393-Q395 PolarHBondContact O-N 3.26Å; Q395-D397 VanDerWaalsContact C-N 3.31Å; Q395-D397 PolarHBondContact O-N 2.99Å; Q395-K398 CarbonylContact O-C 3.59Å; Q395-K398 WeakPolarHBondContact O-CA 2.95Å; Q395-K398 WeakPolarHBondContact O-CB 3.32Å; Q395-K398 PolarHBondContact O-N 3.1Å; Q395-K398 VanDerWaalsContact O-N 3.08Å; Q395-E399 HydrophobicContact CG-CG 4.36Å; Q395-E399 PolarHBondContact NE2-OE1 3.48Å; Q395-E399 WeakPolarHBondContact O-CG 3.35Å; Q395-E399 PolarHBondContact O-N 2.58Å
396	G	97	Very high	96.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.5	-41.1	178.3	0	0	0	0	0	113	F392 F393 K398 E399 A400 F406 C410	F392-G396 PolarHBondContact O-N 3.1Å; F393-G396 PolarHBondContact O-N 2.95Å; G396-K398 VanDerWaalsContact C-N 3.32Å; G396-K398 PolarHBondContact O-N 2.95Å; G396-E399 WeakPolarHBondContact O-CB 3.43Å; G396-E399 PolarHBondContact O-N 3.03Å; G396-E399 VanDerWaalsContact O-N 3.16Å; G396-A400 PolarHBondContact O-N 3.46Å; G396-F406 WeakPolarHBondContact O-CE1 3.29Å; G396-C410 WeakPolarHBondContact CA-O 3.41Å
397	D	98.1	Very high	95.9	Very high	60 Å²	60	49.8 Å²	49.8	32%	0.321	27%	0.272	S	S	.	.	H	α-helix	trans	-60.4	-43.2	175	-59	-25.4	0	0	0	111.1	F393 Q395 A400 E401 R412	F393-D397 PolarHBondContact O-N 3.49Å; Q395-D397 VanDerWaalsContact C-N 3.31Å; Q395-D397 PolarHBondContact O-N 2.99Å; D397-A400 PolarHBondContact O-N 3.24Å; D397-E401 WeakPolarHBondContact O-CG 3.33Å; D397-E401 PolarHBondContact O-N 2.91Å; D397-R412 IonicContact OD1-CZ 2.66Å; D397-R412 IonicContact OD1-NE 3.7Å; D397-R412 PolarHBondContact OD1-NE 3.48Å; D397-R412 VanDerWaalsContact OD1-NE 3.14Å; D397-R412 IonicContact OD1-NH2 2.78Å; D397-R412 IonicContact OD2-CZ 3.94Å; D397-R412 IonicContact OD2-NE 3.77Å; D397-R412 IonicContact OD2-NH2 3.6Å; D397-R412 PolarHBondContact OD2-NH2 2.96Å
398	K	98.4	Very high	95.3	Very high	83 Å²	83	54.5 Å²	54.5	36%	0.361	30%	0.301	S	S	.	.	H	α-helix	trans	-63.5	-39.6	173.8	-67.5	171.5	-176.2	174.3	0	112.2	T270 F274 R394 Q395 G396 A400 E401 L402	T270-K398 HydrophobicContact CG2-CD 4.17Å; F274-K398 HydrophobicContact CE2-CB 4.17Å; F274-K398 HydrophobicContact CZ-CB 4.03Å; F274-K398 HydrophobicContact CZ-CD 4.4Å; R394-K398 WeakPolarHBondContact O-CG 3.44Å; R394-K398 PolarHBondContact O-N 2.98Å; Q395-K398 CarbonylContact O-C 3.59Å; Q395-K398 WeakPolarHBondContact O-CA 2.95Å; Q395-K398 WeakPolarHBondContact O-CB 3.32Å; Q395-K398 PolarHBondContact O-N 3.1Å; Q395-K398 VanDerWaalsContact O-N 3.08Å; G396-K398 VanDerWaalsContact C-N 3.32Å; G396-K398 PolarHBondContact O-N 2.95Å; K398-A400 VanDerWaalsContact C-N 3.35Å; K398-E401 PolarHBondContact O-N 3.42Å; K398-L402 WeakPolarHBondContact O-CB 3.48Å; K398-L402 VanDerWaalsContact O-CG 3.26Å; K398-L402 WeakPolarHBondContact O-CG 3.01Å; K398-L402 PolarHBondContact O-N 3.21Å
399	E	98.1	Very high	94.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60.6	-45.9	175.5	-71.6	168.9	165.4	0	0	110.5	F274 Q395 G396 L402 G403 L404 F406 S407	F274-E399 HydrophobicContact CD2-CG 3.73Å; F274-E399 HydrophobicContact CE2-CG 3.73Å; Q395-E399 HydrophobicContact CG-CG 4.36Å; Q395-E399 PolarHBondContact NE2-OE1 3.48Å; Q395-E399 WeakPolarHBondContact O-CG 3.35Å; Q395-E399 PolarHBondContact O-N 2.58Å; G396-E399 WeakPolarHBondContact O-CB 3.43Å; G396-E399 PolarHBondContact O-N 3.03Å; G396-E399 VanDerWaalsContact O-N 3.16Å; E399-L402 CarbonylContact O-C 3.55Å; E399-L402 PolarHBondContact O-N 3.03Å; E399-G403 PolarHBondContact O-N 3.14Å; E399-G403 VanDerWaalsContact O-N 3.09Å; E399-L404 HydrophobicContact CB-CB 4.09Å; E399-L404 HydrophobicContact CG-CB 4.46Å; E399-L404 PolarHBondContact O-N 2.87Å; E399-F406 WeakPolarHBondContact OE2-CA 3.37Å; E399-S407 VanDerWaalsContact OE1-CB 3.23Å; E399-S407 WeakPolarHBondContact OE1-CB 3.41Å; E399-S407 PolarHBondContact OE1-OG 3.34Å; E399-S407 PolarHBondContact OE2-N 3.04Å
400	A	97.8	Very high	94.5	Very high	52 Å²	52	56.5 Å²	56.5	43%	0.43	31%	0.312	S	S	.	.	H	α-helix	trans	-62.3	-43.9	176.3	0	0	0	0	0	112.4	G396 D397 K398 L402 G403 F406	G396-A400 PolarHBondContact O-N 3.46Å; D397-A400 PolarHBondContact O-N 3.24Å; K398-A400 VanDerWaalsContact C-N 3.35Å; A400-L402 VanDerWaalsContact C-N 3.26Å; A400-L402 PolarHBondContact O-N 3.4Å; A400-G403 PolarHBondContact O-N 3.34Å; A400-G403 VanDerWaalsContact O-N 3.09Å; A400-F406 HydrophobicContact CB-CE1 4.02Å; A400-F406 HydrophobicContact CB-CZ 3.79Å
401	E	98.3	Very high	94.1	Very high	166 Å²	166	55.2 Å²	55.2	78%	0.776	31%	0.307	S	S	*	.	H	α-helix	trans	-59.7	-35.9	175.2	-75.4	178.1	-177.6	0	0	112.6	D397 K398 G403	D397-E401 WeakPolarHBondContact O-CG 3.33Å; D397-E401 PolarHBondContact O-N 2.91Å; K398-E401 PolarHBondContact O-N 3.42Å; E401-G403 VanDerWaalsContact C-N 3.31Å
402	L	97.6	Very high	93.8	Very high	106 Å²	106	57.8 Å²	57.8	56%	0.555	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-1.7	178	-66.8	172.6	0	0	0	113.5	F274 T278 K398 E399 A400 L404	F274-L402 HydrophobicContact CE2-CD1 4.27Å; F274-L402 HydrophobicContact CZ-CD1 3.91Å; T278-L402 HydrophobicContact CG2-CD1 3.81Å; K398-L402 WeakPolarHBondContact O-CB 3.48Å; K398-L402 VanDerWaalsContact O-CG 3.26Å; K398-L402 WeakPolarHBondContact O-CG 3.01Å; K398-L402 PolarHBondContact O-N 3.21Å; E399-L402 CarbonylContact O-C 3.55Å; E399-L402 PolarHBondContact O-N 3.03Å; A400-L402 VanDerWaalsContact C-N 3.26Å; A400-L402 PolarHBondContact O-N 3.4Å; L402-L404 VanDerWaalsContact C-N 3.26Å; L402-L404 HydrophobicContact CB-CD1 4.17Å; L402-L404 HydrophobicContact CB-CG 3.99Å; L402-L404 HydrophobicContact CD1-CD1 4.31Å; L402-L404 PolarHBondContact O-N 3.36Å
403	G	97.4	Very high	93.4	Very high	68 Å²	68	60.6 Å²	60.6	70%	0.701	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	24.4	-176	0	0	0	0	0	113.9	E399 A400 E401	E399-G403 PolarHBondContact O-N 3.14Å; E399-G403 VanDerWaalsContact O-N 3.09Å; A400-G403 PolarHBondContact O-N 3.34Å; A400-G403 VanDerWaalsContact O-N 3.09Å; E401-G403 VanDerWaalsContact C-N 3.31Å
404	L	94.6	Very high	92.7	Very high	42 Å²	42	63.7 Å²	63.7	22%	0.22	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-86.8	151	174.2	-59.3	178.4	0	0	0	110.3	Q277 T278 E399 L402	Q277-L404 HydrophobicContact CG-CD1 4.1Å; Q277-L404 HydrophobicContact CG-CD2 4.14Å; T278-L404 HydrophobicContact CG2-CD1 3.96Å; E399-L404 HydrophobicContact CB-CB 4.09Å; E399-L404 HydrophobicContact CG-CB 4.46Å; E399-L404 PolarHBondContact O-N 2.87Å; L402-L404 VanDerWaalsContact C-N 3.26Å; L402-L404 HydrophobicContact CB-CD1 4.17Å; L402-L404 HydrophobicContact CB-CG 3.99Å; L402-L404 HydrophobicContact CD1-CD1 4.31Å; L402-L404 PolarHBondContact O-N 3.36Å
405	P	91.5	Very high	92	Very high	94 Å²	94	59 Å²	59	61%	0.61	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-64.4	143.7	168.8	29.2	-34.4	0	0	0	110.1	S407	P405-S407 PolarHBondContact O-N 3.49Å
406	F	86.1	Confident	91.3	Very high	95 Å²	95	63.1 Å²	63.1	42%	0.417	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-59.3	130.2	174.2	-70.5	-75.6	0	0	0	111	G396 E399 A400 D411	G396-F406 WeakPolarHBondContact O-CE1 3.29Å; E399-F406 WeakPolarHBondContact OE2-CA 3.37Å; A400-F406 HydrophobicContact CB-CE1 4.02Å; A400-F406 HydrophobicContact CB-CZ 3.79Å; F406-D411 HydrophobicContact CB-CB 4.21Å; F406-D411 HydrophobicContact CD1-CB 4.06Å; F406-D411 HydrophobicContact CD2-CB 4.17Å; F406-D411 HydrophobicContact CE1-CB 4.45Å; F406-D411 HydrophobicContact CG-CB 3.9Å
407	S	87.6	Confident	90.8	Very high	22 Å²	22	63.2 Å²	63.2	15%	0.154	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-63	153.8	165.8	-72.8	0	0	0	0	110.3	E399 P405 L409 C410	E399-S407 VanDerWaalsContact OE1-CB 3.23Å; E399-S407 WeakPolarHBondContact OE1-CB 3.41Å; E399-S407 PolarHBondContact OE1-OG 3.34Å; E399-S407 PolarHBondContact OE2-N 3.04Å; P405-S407 PolarHBondContact O-N 3.49Å; S407-L409 PolarHBondContact O-N 2.92Å; S407-C410 WeakPolarHBondContact O-CB 3.07Å; S407-C410 PolarHBondContact O-N 3.14Å
408	P	85.1	Confident	90.4	Very high	116 Å²	116	60.6 Å²	60.6	75%	0.753	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	136.5	173.1	-26.5	35	0	0	0	111.4	C410	P408-C410 PolarHBondContact O-N 3.17Å; P408-C410 VanDerWaalsContact O-N 3.16Å
409	L	84.4	Confident	89.8	Confident	65 Å²	65	60.9 Å²	60.9	34%	0.34	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	0.5	-179.2	-45.3	178	0	0	0	116.1	F392 F393 S407 T415 S420	F392-L409 HydrophobicContact CD2-CB 4.17Å; F392-L409 HydrophobicContact CE2-CD1 4.46Å; F393-L409 WeakPolarHBondContact CE1-O 3.32Å; S407-L409 PolarHBondContact O-N 2.92Å; L409-T415 WeakPolarHBondContact CA-OG1 3.13Å; L409-T415 HydrophobicContact CB-CG2 4.25Å; L409-T415 HydrophobicContact CD2-CG2 4.04Å; L409-T415 PolarHBondContact O-OG1 2.64Å; L409-S420 WeakPolarHBondContact CD2-OG 3.39Å
410	C	88.6	Confident	89.2	Confident	3 Å²	3	62.5 Å²	62.5	2%	0.02	37%	0.365	C	S	.	.			trans	-91.3	-11.4	-177.3	-63.4	0	0	0	0	113.3	F392 G396 S407 P408 R412	F392-C410 WeakPolarHBondContact O-CA 3.47Å; F392-C410 WeakPolarHBondContact O-CB 3.42Å; F392-C410 PolarHBondContact O-SG 3.43Å; G396-C410 WeakPolarHBondContact CA-O 3.41Å; S407-C410 WeakPolarHBondContact O-CB 3.07Å; S407-C410 PolarHBondContact O-N 3.14Å; P408-C410 PolarHBondContact O-N 3.17Å; P408-C410 VanDerWaalsContact O-N 3.16Å; C410-R412 PolarHBondContact O-N 3.45Å
411	D	89	Confident	88.8	Confident	28 Å²	28	60.4 Å²	60.4	15%	0.15	35%	0.347	C	S	.	.			trans	-87	106.6	174.2	177	5.3	0	0	0	111.1	F406 T413 S414 T415	F406-D411 HydrophobicContact CB-CB 4.21Å; F406-D411 HydrophobicContact CD1-CB 4.06Å; F406-D411 HydrophobicContact CD2-CB 4.17Å; F406-D411 HydrophobicContact CE1-CB 4.45Å; F406-D411 HydrophobicContact CG-CB 3.9Å; D411-T413 VanDerWaalsContact CG-OG1 3.3Å; D411-T413 PolarHBondContact O-N 3.33Å; D411-T413 VanDerWaalsContact O-N 3.12Å; D411-T413 WeakPolarHBondContact OD1-CB 3.46Å; D411-T413 PolarHBondContact OD1-N 2.93Å; D411-T413 PolarHBondContact OD1-OG1 2.87Å; D411-T413 PolarHBondContact OD2-OG1 2.98Å; D411-S414 WeakPolarHBondContact CB-OG 3.5Å; D411-S414 PolarHBondContact O-N 2.88Å; D411-S414 WeakPolarHBondContact OD2-CB 3.48Å; D411-S414 PolarHBondContact OD2-OG 3.36Å; D411-T415 VanDerWaalsContact O-CB 3.28Å; D411-T415 WeakPolarHBondContact O-CB 3.43Å; D411-T415 PolarHBondContact O-N 3.46Å; D411-T415 PolarHBondContact O-OG1 2.82Å
412	R	90.6	Very high	88.4	Confident	57 Å²	57	53.9 Å²	53.9	22%	0.215	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.2	178.5	61.7	176.6	73.1	-129.1	-1.1	114.4	E390 F393 D397 C410	E390-R412 IonicContact OE2-NH1 2.68Å; F393-R412 HydrophobicContact CB-CB 4.01Å; F393-R412 HydrophobicContact CD1-CB 3.84Å; F393-R412 HydrophobicContact CD2-CB 3.47Å; F393-R412 VanDerWaalsContact CD2-CB 3.47Å; F393-R412 HydrophobicContact CE1-CB 4.11Å; F393-R412 HydrophobicContact CE2-CB 3.68Å; F393-R412 HydrophobicContact CG-CB 3.53Å; F393-R412 HydrophobicContact CZ-CB 4.03Å; D397-R412 IonicContact OD1-CZ 2.66Å; D397-R412 IonicContact OD1-NE 3.7Å; D397-R412 PolarHBondContact OD1-NE 3.48Å; D397-R412 VanDerWaalsContact OD1-NE 3.14Å; D397-R412 IonicContact OD1-NH2 2.78Å; D397-R412 IonicContact OD2-CZ 3.94Å; D397-R412 IonicContact OD2-NE 3.77Å; D397-R412 IonicContact OD2-NH2 3.6Å; D397-R412 PolarHBondContact OD2-NH2 2.96Å; C410-R412 PolarHBondContact O-N 3.45Å
413	T	86.7	Confident	87.8	Confident	103 Å²	103	49.8 Å²	49.8	63%	0.632	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-31.6	-178.3	72.2	0	0	0	0	113.1	D411 N506	D411-T413 VanDerWaalsContact CG-OG1 3.3Å; D411-T413 PolarHBondContact O-N 3.33Å; D411-T413 VanDerWaalsContact O-N 3.12Å; D411-T413 WeakPolarHBondContact OD1-CB 3.46Å; D411-T413 PolarHBondContact OD1-N 2.93Å; D411-T413 PolarHBondContact OD1-OG1 2.87Å; D411-T413 PolarHBondContact OD2-OG1 2.98Å; T413-N506 PolarHBondContact O-ND2 3.26Å
414	S	84.1	Confident	87.5	Confident	69 Å²	69	49 Å²	49	48%	0.483	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-10.7	-172.3	66.3	0	0	0	0	114.6	D411 L416 N506	D411-S414 WeakPolarHBondContact CB-OG 3.5Å; D411-S414 PolarHBondContact O-N 2.88Å; D411-S414 WeakPolarHBondContact OD2-CB 3.48Å; D411-S414 PolarHBondContact OD2-OG 3.36Å; S414-L416 PolarHBondContact O-N 3.29Å; S414-N506 VanDerWaalsContact C-ND2 3.28Å; S414-N506 PolarHBondContact O-ND2 3.05Å
415	T	82.3	Confident	87.4	Confident	7 Å²	7	47 Å²	47	4%	0.043	27%	0.268	C	S	.	.			trans	-70	119.7	-175.2	-64.8	0	0	0	0	113.7	M389 F393 L409 D411 V417 N506	M389-T415 HydrophobicContact SD-CG2 4.49Å; F393-T415 HydrophobicContact CE1-CG2 4.15Å; F393-T415 HydrophobicContact CZ-CG2 4.44Å; L409-T415 WeakPolarHBondContact CA-OG1 3.13Å; L409-T415 HydrophobicContact CB-CG2 4.25Å; L409-T415 HydrophobicContact CD2-CG2 4.04Å; L409-T415 PolarHBondContact O-OG1 2.64Å; D411-T415 VanDerWaalsContact O-CB 3.28Å; D411-T415 WeakPolarHBondContact O-CB 3.43Å; D411-T415 PolarHBondContact O-N 3.46Å; D411-T415 PolarHBondContact O-OG1 2.82Å; T415-V417 HydrophobicContact CG2-CG2 4.2Å; T415-V417 PolarHBondContact O-N 3.13Å; T415-N506 WeakPolarHBondContact O-CB 3.38Å; T415-N506 PolarHBondContact O-ND2 3.06Å; T415-N506 PolarHBondContact O-OD1 3.41Å
416	L	84.6	Confident	87.3	Confident	89 Å²	89	44.5 Å²	44.5	47%	0.466	25%	0.249	S	C	.	.			trans	-86.9	80.3	175.6	-60.7	-178.4	0	0	0	111.5	S414 A418 Q419 S420 N506	S414-L416 PolarHBondContact O-N 3.29Å; L416-A418 PolarHBondContact O-N 3.18Å; L416-Q419 HydrophobicContact CB-CB 4.3Å; L416-Q419 PolarHBondContact O-N 3.48Å; L416-S420 PolarHBondContact O-N 2.65Å; L416-S420 PolarHBondContact O-OG 2.8Å; L416-S420 VanDerWaalsContact O-OG 3.05Å; L416-N506 WeakPolarHBondContact CD2-OD1 3.48Å
417	V	86.9	Confident	87.4	Confident	2 Å²	2	47 Å²	47	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-55.3	-49.6	-171.1	179.9	0	0	0	0	113.4	T385 M389 T415 Q419 S420 Q421 W496 I510	T385-V417 HydrophobicContact CG2-CG1 3.95Å; M389-V417 HydrophobicContact CG-CG1 4.01Å; M389-V417 HydrophobicContact CG-CG2 4.07Å; M389-V417 HydrophobicContact SD-CG1 4.32Å; M389-V417 HydrophobicContact SD-CG2 4.13Å; T415-V417 HydrophobicContact CG2-CG2 4.2Å; T415-V417 PolarHBondContact O-N 3.13Å; V417-Q419 PolarHBondContact O-N 3.41Å; V417-S420 PolarHBondContact O-N 3.48Å; V417-Q421 HydrophobicContact CG1-CG 4.25Å; V417-Q421 WeakPolarHBondContact O-CG 3.35Å; V417-Q421 PolarHBondContact O-N 3.46Å; V417-W496 HydrophobicContact CG1-CH2 4.31Å; V417-W496 HydrophobicContact CG1-CZ3 4.32Å; V417-I510 HydrophobicContact CG2-CD1 3.73Å; V417-I510 HydrophobicContact CG2-CG1 3.91Å
418	A	88.1	Confident	87.7	Confident	5 Å²	5	47 Å²	47	4%	0.041	26%	0.258	C	S	.	.	H	α-helix	trans	-62.4	-44.6	-174.1	0	0	0	0	0	112.1	L416 Q421 I422 W496 A500	L416-A418 PolarHBondContact O-N 3.18Å; A418-Q421 PolarHBondContact O-N 3.44Å; A418-I422 VanDerWaalsContact O-CG1 3.3Å; A418-I422 WeakPolarHBondContact O-CG1 3.43Å; A418-I422 PolarHBondContact O-N 2.74Å; A418-W496 HydrophobicContact CB-CE3 3.8Å; A418-A500 HydrophobicContact CB-CB 3.97Å
419	Q	86.2	Confident	88.3	Confident	90 Å²	90	41.5 Å²	41.5	42%	0.421	22%	0.222	S	C	.	.	H	α-helix	trans	-64.2	-42.7	176.7	-68.6	81.1	-7.9	0	0	111.2	L416 V417 Q421 I422 G423	L416-Q419 HydrophobicContact CB-CB 4.3Å; L416-Q419 PolarHBondContact O-N 3.48Å; V417-Q419 PolarHBondContact O-N 3.41Å; Q419-Q421 PolarHBondContact O-N 3.06Å; Q419-I422 PolarHBondContact O-N 3.02Å; Q419-G423 PolarHBondContact O-N 2.84Å
420	S	85.2	Confident	88.9	Confident	33 Å²	33	42.6 Å²	42.6	23%	0.231	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-41	177.1	-62	0	0	0	0	112.2	L409 L416 V417 G423 F424	L409-S420 WeakPolarHBondContact CD2-OG 3.39Å; L416-S420 PolarHBondContact O-N 2.65Å; L416-S420 PolarHBondContact O-OG 2.8Å; L416-S420 VanDerWaalsContact O-OG 3.05Å; V417-S420 PolarHBondContact O-N 3.48Å; S420-G423 PolarHBondContact O-N 3.04Å; S420-F424 WeakPolarHBondContact O-CB 3.43Å; S420-F424 PolarHBondContact O-N 3.02Å
421	Q	90.8	Very high	89.4	Confident	8 Å²	8	44.7 Å²	44.7	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-68.5	-38.9	176.8	-69	-64	-69.8	0	0	112.7	H381 T385 V417 A418 Q419 G423 F424 I425 W496	H381-Q421 PolarHBondContact CE1-OE1 3.27Å; T385-Q421 HydrophobicContact CG2-CG 3.69Å; T385-Q421 PolarHBondContact OG1-OE1 2.97Å; V417-Q421 HydrophobicContact CG1-CG 4.25Å; V417-Q421 WeakPolarHBondContact O-CG 3.35Å; V417-Q421 PolarHBondContact O-N 3.46Å; A418-Q421 PolarHBondContact O-N 3.44Å; Q419-Q421 PolarHBondContact O-N 3.06Å; Q421-G423 VanDerWaalsContact C-N 3.32Å; Q421-G423 PolarHBondContact O-N 3.16Å; Q421-F424 PolarHBondContact O-N 3.49Å; Q421-I425 WeakPolarHBondContact O-CG1 3.33Å; Q421-I425 PolarHBondContact O-N 3.3Å; Q421-W496 HydrophobicContact CB-CD2 4.03Å; Q421-W496 HydrophobicContact CB-CG 4.08Å; Q421-W496 HydrophobicContact CB-CZ2 4.33Å; Q421-W496 HydrophobicContact CG-CD2 4.42Å; Q421-W496 HydrophobicContact CG-CH2 4.48Å; Q421-W496 HydrophobicContact CG-CZ2 3.92Å
422	I	89.8	Confident	89.8	Confident	29 Å²	29	43.3 Å²	43.3	15%	0.149	23%	0.232	C	C	.	.	H	α-helix	trans	-59.7	-46.1	172.7	-67.9	162.5	0	0	0	110.2	A418 Q419 I425 D426 K493 W496 K497	A418-I422 VanDerWaalsContact O-CG1 3.3Å; A418-I422 WeakPolarHBondContact O-CG1 3.43Å; A418-I422 PolarHBondContact O-N 2.74Å; Q419-I422 PolarHBondContact O-N 3.02Å; I422-I425 PolarHBondContact O-N 3.47Å; I422-D426 PolarHBondContact O-N 3.49Å; I422-K493 HydrophobicContact CG1-CG 4.42Å; I422-K493 HydrophobicContact CG2-CG 4.32Å; I422-W496 HydrophobicContact CD1-CB 3.97Å; I422-W496 HydrophobicContact CG1-CB 3.65Å; I422-K497 HydrophobicContact CD1-CG 3.76Å
423	G	84.6	Confident	90.2	Very high	21 Å²	21	40.6 Å²	40.6	22%	0.216	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-43.8	176.3	0	0	0	0	0	112.4	Q419 S420 Q421 I425 D426 F427	Q419-G423 PolarHBondContact O-N 2.84Å; S420-G423 PolarHBondContact O-N 3.04Å; Q421-G423 VanDerWaalsContact C-N 3.32Å; Q421-G423 PolarHBondContact O-N 3.16Å; G423-I425 VanDerWaalsContact C-N 3.35Å; G423-I425 PolarHBondContact O-N 3.27Å; G423-D426 PolarHBondContact O-N 3.43Å; G423-F427 WeakPolarHBondContact O-CB 3.48Å; G423-F427 WeakPolarHBondContact O-CD2 3.39Å; G423-F427 PolarHBondContact O-N 2.85Å
424	F	90.3	Very high	90.8	Very high	51 Å²	51	37.6 Å²	37.6	22%	0.224	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-42.9	177.6	-173.1	-111	0	0	0	112.2	I371 P374 S420 Q421 I428 V429	I371-F424 HydrophobicContact CB-CZ 4.13Å; I371-F424 HydrophobicContact CG2-CZ 4.19Å; P374-F424 HydrophobicContact CG-CD1 4.19Å; P374-F424 HydrophobicContact CG-CE1 4.17Å; S420-F424 WeakPolarHBondContact O-CB 3.43Å; S420-F424 PolarHBondContact O-N 3.02Å; Q421-F424 PolarHBondContact O-N 3.49Å; F424-I428 HydrophobicContact CD2-CB 3.86Å; F424-I428 HydrophobicContact CD2-CG1 3.71Å; F424-I428 HydrophobicContact CD2-CG2 4.26Å; F424-I428 HydrophobicContact CE2-CB 3.83Å; F424-I428 HydrophobicContact CE2-CG1 3.95Å; F424-I428 HydrophobicContact CE2-CG2 3.7Å; F424-I428 HydrophobicContact CZ-CB 4.48Å; F424-I428 HydrophobicContact CZ-CG2 4.16Å; F424-I428 WeakPolarHBondContact O-CA 3.35Å; F424-I428 WeakPolarHBondContact O-CB 3.33Å; F424-I428 PolarHBondContact O-N 3Å; F424-V429 HydrophobicContact CD1-CG2 3.69Å; F424-V429 HydrophobicContact CE1-CG2 3.52Å; F424-V429 HydrophobicContact CG-CG2 4.49Å; F424-V429 HydrophobicContact CZ-CG2 4.21Å; F424-V429 PolarHBondContact O-N 3.34Å
425	I	93.8	Very high	91.5	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.183	C	C	.	.	I	π-helix	trans	-60.3	-50.7	175.6	-70.7	167.9	0	0	0	110.9	P374 Q421 I422 G423 V429 E430 I489 N492 K493	P374-I425 HydrophobicContact CB-CD1 4.15Å; P374-I425 HydrophobicContact CB-CG1 3.74Å; P374-I425 HydrophobicContact CG-CG1 4.45Å; Q421-I425 WeakPolarHBondContact O-CG1 3.33Å; Q421-I425 PolarHBondContact O-N 3.3Å; I422-I425 PolarHBondContact O-N 3.47Å; G423-I425 VanDerWaalsContact C-N 3.35Å; G423-I425 PolarHBondContact O-N 3.27Å; I425-V429 PolarHBondContact O-N 3.47Å; I425-E430 WeakPolarHBondContact O-CB 3.22Å; I425-E430 PolarHBondContact O-N 3.07Å; I425-I489 HydrophobicContact CG2-CB 3.91Å; I425-I489 HydrophobicContact CG2-CG2 4.42Å; I425-N492 HydrophobicContact CD1-CB 4.44Å; I425-K493 HydrophobicContact CD1-CB 4.42Å
426	D	89.1	Confident	92.2	Very high	41 Å²	41	34.3 Å²	34.3	22%	0.219	18%	0.182	C	C	.	.	I	π-helix	trans	-72.1	-37.5	-172.5	-72.8	-3.2	0	0	0	113.3	I422 G423 P431 K493	I422-D426 PolarHBondContact O-N 3.49Å; G423-D426 PolarHBondContact O-N 3.43Å; D426-P431 WeakPolarHBondContact O-CD 3.46Å; D426-K493 WeakPolarHBondContact OD1-CD 3.42Å; D426-K493 WeakPolarHBondContact OD1-CE 3.36Å; D426-K493 IonicContact OD1-NZ 3.18Å; D426-K493 PolarHBondContact OD1-NZ 3.3Å; D426-K493 VanDerWaalsContact OD2-CE 3.26Å; D426-K493 WeakPolarHBondContact OD2-CE 3.32Å; D426-K493 IonicContact OD2-NZ 3.7Å; D426-K493 PolarHBondContact OD2-NZ 3.31Å
427	F	88.1	Confident	92.8	Very high	148 Å²	148	30.1 Å²	30.1	65%	0.649	16%	0.159	S	C	*	.	I	π-helix	trans	-102.4	-19.4	-169.9	-64.1	-67.7	0	0	0	114.2	G423	G423-F427 WeakPolarHBondContact O-CB 3.48Å; G423-F427 WeakPolarHBondContact O-CD2 3.39Å; G423-F427 PolarHBondContact O-N 2.85Å
428	I	94.4	Very high	93.3	Very high	22 Å²	22	32.6 Å²	32.6	11%	0.113	17%	0.173	C	C	.	.	I	π-helix	trans	-119.4	-57.5	-177	-50.7	-60.8	0	0	0	110.9	M336 F340 I371 F424 T432	M336-I428 HydrophobicContact CE-CG2 4.13Å; F340-I428 HydrophobicContact CE1-CD1 4.05Å; F340-I428 HydrophobicContact CZ-CD1 3.7Å; I371-I428 HydrophobicContact CD1-CG2 3.87Å; F424-I428 HydrophobicContact CD2-CB 3.86Å; F424-I428 HydrophobicContact CD2-CG1 3.71Å; F424-I428 HydrophobicContact CD2-CG2 4.26Å; F424-I428 HydrophobicContact CE2-CB 3.83Å; F424-I428 HydrophobicContact CE2-CG1 3.95Å; F424-I428 HydrophobicContact CE2-CG2 3.7Å; F424-I428 HydrophobicContact CZ-CB 4.48Å; F424-I428 HydrophobicContact CZ-CG2 4.16Å; F424-I428 WeakPolarHBondContact O-CA 3.35Å; F424-I428 WeakPolarHBondContact O-CB 3.33Å; F424-I428 PolarHBondContact O-N 3Å; I428-T432 WeakPolarHBondContact O-CB 3.33Å; I428-T432 PolarHBondContact O-N 3.35Å; I428-T432 PolarHBondContact O-OG1 2.73Å
429	V	97.4	Very high	93.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.171	C	C	.	.	I	π-helix	trans	-70.5	-54.7	-171.2	-177.7	0	0	0	0	111.5	I371 P374 T375 F424 I425 T432 F433 I489	I371-V429 HydrophobicContact CD1-CG2 4.49Å; P374-V429 HydrophobicContact CB-CG2 4.36Å; P374-V429 HydrophobicContact CG-CG2 3.97Å; T375-V429 HydrophobicContact CG2-CG1 3.76Å; F424-V429 HydrophobicContact CD1-CG2 3.69Å; F424-V429 HydrophobicContact CE1-CG2 3.52Å; F424-V429 HydrophobicContact CG-CG2 4.49Å; F424-V429 HydrophobicContact CZ-CG2 4.21Å; F424-V429 PolarHBondContact O-N 3.34Å; I425-V429 PolarHBondContact O-N 3.47Å; V429-T432 WeakPolarHBondContact O-CB 3.5Å; V429-T432 PolarHBondContact O-N 3.41Å; V429-T432 VanDerWaalsContact O-N 3.14Å; V429-F433 HydrophobicContact CG1-CD2 3.68Å; V429-F433 HydrophobicContact CG1-CE2 3.83Å; V429-F433 WeakPolarHBondContact O-CD2 3.32Å; V429-F433 PolarHBondContact O-N 3.46Å; V429-I489 HydrophobicContact CG1-CG2 4.35Å
430	E	97.6	Very high	94	Very high	88 Å²	88	28.1 Å²	28.1	41%	0.411	15%	0.151	S	C	.	.	H	α-helix	trans	-57.2	-48	-178	176	-175.8	176.8	0	0	112.3	I425 T432 F433 S434 W485 I489	I425-E430 WeakPolarHBondContact O-CB 3.22Å; I425-E430 PolarHBondContact O-N 3.07Å; E430-T432 VanDerWaalsContact C-N 3.32Å; E430-T432 PolarHBondContact O-N 2.95Å; E430-F433 PolarHBondContact O-N 3.4Å; E430-S434 VanDerWaalsContact O-CB 3.24Å; E430-S434 WeakPolarHBondContact O-CB 3.38Å; E430-S434 PolarHBondContact O-N 3.24Å; E430-W485 HydrophobicContact CG-CZ3 4.31Å; E430-I489 HydrophobicContact CB-CD1 3.98Å; E430-I489 HydrophobicContact CG-CD1 4.14Å
431	P	97.9	Very high	94.3	Very high	46 Å²	46	28.5 Å²	28.5	30%	0.299	15%	0.149	S	C	.	.	H	α-helix	trans	-60.2	-38.7	175.7	-26.6	36.9	0	0	0	113.6	D426 V435	D426-P431 WeakPolarHBondContact O-CD 3.46Å; P431-V435 WeakPolarHBondContact O-CG2 3.4Å; P431-V435 PolarHBondContact O-N 3.04Å; P431-V435 VanDerWaalsContact O-N 3.08Å
432	T	98.5	Very high	94.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.3	-51.5	178.3	-55.2	0	0	0	0	111.1	H339 L364 A368 I371 I428 V429 E430 S434 V435 L436	H339-T432 PolarHBondContact CE1-OG1 2.64Å; L364-T432 HydrophobicContact CD1-CG2 4Å; A368-T432 HydrophobicContact CB-CG2 3.81Å; I371-T432 HydrophobicContact CD1-CG2 4.11Å; I428-T432 WeakPolarHBondContact O-CB 3.33Å; I428-T432 PolarHBondContact O-N 3.35Å; I428-T432 PolarHBondContact O-OG1 2.73Å; V429-T432 WeakPolarHBondContact O-CB 3.5Å; V429-T432 PolarHBondContact O-N 3.41Å; V429-T432 VanDerWaalsContact O-N 3.14Å; E430-T432 VanDerWaalsContact C-N 3.32Å; E430-T432 PolarHBondContact O-N 2.95Å; T432-S434 VanDerWaalsContact C-N 3.32Å; T432-S434 PolarHBondContact O-N 3.37Å; T432-V435 PolarHBondContact O-N 3.14Å; T432-L436 WeakPolarHBondContact O-CB 3.24Å; T432-L436 PolarHBondContact O-N 2.89Å
433	F	98.7	Very high	94	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.9	-34.5	-178.6	-85.6	-101.3	0	0	0	112	W164 F238 A368 T375 V429 E430 T437 W485	W164-F433 HydrophobicContact CH2-CE1 4.14Å; W164-F433 HydrophobicContact CZ2-CE1 4.28Å; F238-F433 HydrophobicContact CE1-CE1 4.25Å; F238-F433 AromaticContact CE2-CE1 3.92Å; F238-F433 HydrophobicContact CE2-CE1 3.92Å; F238-F433 AromaticContact CE2-CZ 3.95Å; F238-F433 HydrophobicContact CE2-CZ 3.95Å; F238-F433 AromaticContact CZ-CE1 3.44Å; F238-F433 HydrophobicContact CZ-CE1 3.44Å; F238-F433 VanDerWaalsContact CZ-CE1 3.44Å; F238-F433 AromaticContact CZ-CZ 3.6Å; F238-F433 HydrophobicContact CZ-CZ 3.6Å; A368-F433 HydrophobicContact CB-CE2 4.35Å; A368-F433 WeakPolarHBondContact O-CZ 3.45Å; T375-F433 HydrophobicContact CG2-CD1 4.08Å; T375-F433 HydrophobicContact CG2-CD2 4.01Å; T375-F433 HydrophobicContact CG2-CE1 3.68Å; T375-F433 HydrophobicContact CG2-CE2 3.61Å; T375-F433 HydrophobicContact CG2-CG 4.23Å; T375-F433 HydrophobicContact CG2-CZ 3.43Å; T375-F433 VanDerWaalsContact CG2-CZ 3.43Å; V429-F433 HydrophobicContact CG1-CD2 3.68Å; V429-F433 HydrophobicContact CG1-CE2 3.83Å; V429-F433 WeakPolarHBondContact O-CD2 3.32Å; V429-F433 PolarHBondContact O-N 3.46Å; E430-F433 PolarHBondContact O-N 3.4Å; F433-T437 WeakPolarHBondContact O-CB 3.38Å; F433-T437 PolarHBondContact O-N 2.98Å; F433-T437 PolarHBondContact O-OG1 3.13Å; F433-W485 HydrophobicContact CB-CD2 3.79Å; F433-W485 HydrophobicContact CB-CE3 3.94Å; F433-W485 HydrophobicContact CB-CG 4.31Å; F433-W485 HydrophobicContact CB-CH2 4.25Å; F433-W485 HydrophobicContact CB-CZ2 4.09Å; F433-W485 HydrophobicContact CB-CZ3 4.16Å; F433-W485 HydrophobicContact CD1-CB 3.94Å; F433-W485 AromaticContact CD1-CD1 3.89Å; F433-W485 HydrophobicContact CD1-CD2 4.13Å; F433-W485 AromaticContact CD1-CG 3.75Å; F433-W485 HydrophobicContact CD1-CG 3.75Å; F433-W485 HydrophobicContact CE1-CB 4.33Å; F433-W485 HydrophobicContact CG-CD2 4.31Å; F433-W485 HydrophobicContact CG-CG 4.39Å
434	S	98.4	Very high	93.8	Very high	40 Å²	40	30.1 Å²	30.1	28%	0.28	15%	0.154	S	C	.	.	H	α-helix	trans	-58.6	-53.7	171.8	179.4	0	0	0	0	110.9	E430 T432 T437 D438	E430-S434 VanDerWaalsContact O-CB 3.24Å; E430-S434 WeakPolarHBondContact O-CB 3.38Å; E430-S434 PolarHBondContact O-N 3.24Å; T432-S434 VanDerWaalsContact C-N 3.32Å; T432-S434 PolarHBondContact O-N 3.37Å; S434-T437 PolarHBondContact O-N 2.98Å; S434-D438 VanDerWaalsContact O-CG 3.24Å; S434-D438 PolarHBondContact O-N 3.33Å; S434-D438 VanDerWaalsContact O-N 3.09Å
435	V	98.1	Very high	92.8	Very high	6 Å²	6	31.2 Å²	31.2	4%	0.036	16%	0.16	C	C	.	.	H	α-helix	trans	-66.1	-40.3	-179.7	174.4	0	0	0	0	112	V343 M346 K347 L350 L364 P431 T432 T437 D438 V439	V343-V435 HydrophobicContact CG1-CG2 4.01Å; M346-V435 HydrophobicContact CB-CG1 3.79Å; M346-V435 HydrophobicContact CG-CG1 3.54Å; K347-V435 HydrophobicContact CB-CG2 4.35Å; L350-V435 HydrophobicContact CD1-CG1 4.1Å; L364-V435 HydrophobicContact CD2-CG1 3.9Å; P431-V435 WeakPolarHBondContact O-CG2 3.4Å; P431-V435 PolarHBondContact O-N 3.04Å; P431-V435 VanDerWaalsContact O-N 3.08Å; T432-V435 PolarHBondContact O-N 3.14Å; V435-T437 VanDerWaalsContact C-N 3.31Å; V435-T437 PolarHBondContact O-N 3.48Å; V435-D438 PolarHBondContact O-N 3.33Å; V435-V439 WeakPolarHBondContact O-CG2 3.26Å; V435-V439 PolarHBondContact O-N 3.49Å
436	L	98.4	Very high	91	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-60.3	-42.1	175.3	176.1	63.7	0	0	0	111.8	F238 L364 L365 A368 T432 D438 V439 A440 F481	F238-L436 HydrophobicContact CD2-CD2 4.05Å; F238-L436 HydrophobicContact CE2-CD2 4.3Å; L364-L436 HydrophobicContact CD2-CB 4.35Å; L364-L436 HydrophobicContact CG-CB 4.49Å; L364-L436 HydrophobicContact CG-CD1 4.44Å; L365-L436 HydrophobicContact CB-CD1 4.09Å; L365-L436 HydrophobicContact CD1-CD1 4.49Å; L365-L436 HydrophobicContact CG-CD1 4.39Å; A368-L436 HydrophobicContact CB-CD2 3.57Å; T432-L436 WeakPolarHBondContact O-CB 3.24Å; T432-L436 PolarHBondContact O-N 2.89Å; L436-D438 VanDerWaalsContact C-N 3.32Å; L436-D438 PolarHBondContact O-N 3.08Å; L436-V439 WeakPolarHBondContact O-CB 3.41Å; L436-V439 PolarHBondContact O-N 3.04Å; L436-A440 PolarHBondContact O-N 2.86Å; L436-F481 HydrophobicContact CD2-CZ 4.29Å
437	T	97.8	Very high	89.2	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63	-41.8	178	-55	0	0	0	0	110.8	F433 S434 V435 A440 E441 V478 F481 R482 W485	F433-T437 WeakPolarHBondContact O-CB 3.38Å; F433-T437 PolarHBondContact O-N 2.98Å; F433-T437 PolarHBondContact O-OG1 3.13Å; S434-T437 PolarHBondContact O-N 2.98Å; V435-T437 VanDerWaalsContact C-N 3.31Å; V435-T437 PolarHBondContact O-N 3.48Å; T437-A440 WeakPolarHBondContact O-CB 3.43Å; T437-A440 PolarHBondContact O-N 3.44Å; T437-E441 PolarHBondContact O-N 2.85Å; T437-V478 HydrophobicContact CG2-CG1 3.43Å; T437-V478 VanDerWaalsContact CG2-CG1 3.43Å; T437-F481 HydrophobicContact CG2-CD1 4.28Å; T437-R482 HydrophobicContact CG2-CB 3.89Å; T437-R482 HydrophobicContact CG2-CG 4.08Å; T437-R482 VanDerWaalsContact CG2-CZ 3.5Å; T437-W485 PolarHBondContact OG1-NE1 3.4Å
438	D	95.8	Very high	87.3	Confident	55 Å²	55	33.3 Å²	33.3	29%	0.294	19%	0.191	S	C	.	.	H	α-helix	trans	-67.5	-35.6	177.2	-60.6	-9.7	0	0	0	111.7	L350 S434 V435 L436 E441 K442 R482	L350-D438 HydrophobicContact CD1-CB 3.7Å; S434-D438 VanDerWaalsContact O-CG 3.24Å; S434-D438 PolarHBondContact O-N 3.33Å; S434-D438 VanDerWaalsContact O-N 3.09Å; V435-D438 PolarHBondContact O-N 3.33Å; L436-D438 VanDerWaalsContact C-N 3.32Å; L436-D438 PolarHBondContact O-N 3.08Å; D438-E441 PolarHBondContact O-N 3.08Å; D438-K442 PolarHBondContact O-N 3.22Å; D438-K442 VanDerWaalsContact O-N 3.09Å; D438-R482 IonicContact OD1-CZ 3.77Å; D438-R482 IonicContact OD1-NH1 2.64Å; D438-R482 PolarHBondContact OD1-NH1 3.22Å; D438-R482 IonicContact OD1-NH2 3.8Å; D438-R482 PolarHBondContact OD1-NH2 3.34Å
439	V	95.1	Very high	85.1	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.1	-46.2	171	169.6	0	0	0	0	111.1	M244 M346 L350 I356 A361 L364 V435 L436 K442 S443	M244-V439 HydrophobicContact CE-CG1 4.38Å; M346-V439 HydrophobicContact CE-CG2 4.37Å; M346-V439 HydrophobicContact CG-CG2 3.41Å; M346-V439 VanDerWaalsContact CG-CG2 3.41Å; M346-V439 HydrophobicContact SD-CG2 3.5Å; M346-V439 VanDerWaalsContact SD-CG2 3.5Å; L350-V439 HydrophobicContact CD1-CG2 4.04Å; L350-V439 HydrophobicContact CD2-CG2 4.22Å; L350-V439 HydrophobicContact CG-CG2 4.35Å; I356-V439 HydrophobicContact CG2-CG1 4.21Å; A361-V439 HydrophobicContact CB-CG1 4.05Å; L364-V439 HydrophobicContact CD2-CG2 4.21Å; V435-V439 WeakPolarHBondContact O-CG2 3.26Å; V435-V439 PolarHBondContact O-N 3.49Å; L436-V439 WeakPolarHBondContact O-CB 3.41Å; L436-V439 PolarHBondContact O-N 3.04Å; V439-K442 PolarHBondContact O-N 3.42Å; V439-S443 WeakPolarHBondContact O-CB 3.32Å; V439-S443 PolarHBondContact O-N 3.32Å; V439-S443 PolarHBondContact O-OG 3.28Å
440	A	93.6	Very high	82.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.7	-46.1	177.7	0	0	0	0	0	111.4	T242 M244 L436 T437 K442 S443 V444 V478	T242-A440 HydrophobicContact CG2-CB 3.97Å; M244-A440 HydrophobicContact CG-CB 4.05Å; M244-A440 HydrophobicContact SD-CB 3.78Å; L436-A440 PolarHBondContact O-N 2.86Å; T437-A440 WeakPolarHBondContact O-CB 3.43Å; T437-A440 PolarHBondContact O-N 3.44Å; A440-K442 PolarHBondContact O-N 3.37Å; A440-S443 PolarHBondContact O-N 3.14Å; A440-V444 WeakPolarHBondContact O-CG2 3.25Å; A440-V444 PolarHBondContact O-N 3.37Å; A440-V478 HydrophobicContact CB-CG2 4.17Å
441	E	92	Very high	80.1	Confident	41 Å²	41	46.1 Å²	46.1	19%	0.192	26%	0.258	C	S	.	.	H	α-helix	trans	-55.3	-51.4	177.7	-166.1	158.8	-164.4	0	0	111.5	T437 D438 S443 Q445 V478 R482	T437-E441 PolarHBondContact O-N 2.85Å; D438-E441 PolarHBondContact O-N 3.08Å; E441-S443 PolarHBondContact O-N 3.14Å; E441-Q445 VanDerWaalsContact O-CG 3.24Å; E441-Q445 WeakPolarHBondContact O-CG 3.4Å; E441-Q445 PolarHBondContact O-N 2.95Å; E441-V478 HydrophobicContact CB-CG1 4.11Å; E441-R482 IonicContact OE2-NH2 3.51Å; E441-R482 PolarHBondContact OE2-NH2 3.18Å
442	K	88.9	Confident	77.5	Confident	47 Å²	47	47.3 Å²	47.3	20%	0.204	27%	0.267	C	S	.	.	H	α-helix	trans	-68.1	-33.5	179.4	-169.2	177.5	-178.2	-176.8	0	113.3	A349 L350 L353 E354 I356 D438 V439 A440 P446	A349-K442 PolarHBondContact O-NZ 3.29Å; L350-K442 HydrophobicContact CD2-CB 4.21Å; L350-K442 HydrophobicContact CD2-CD 3.64Å; L353-K442 VanDerWaalsContact CA-NZ 3.3Å; E354-K442 VanDerWaalsContact O-CE 3.29Å; E354-K442 WeakPolarHBondContact O-CE 3.35Å; E354-K442 PolarHBondContact O-NZ 2.9Å; I356-K442 HydrophobicContact CG1-CD 4.22Å; D438-K442 PolarHBondContact O-N 3.22Å; D438-K442 VanDerWaalsContact O-N 3.09Å; V439-K442 PolarHBondContact O-N 3.42Å; A440-K442 PolarHBondContact O-N 3.37Å; K442-P446 WeakPolarHBondContact O-CD 3.37Å
443	S	85.6	Confident	74.9	Confident	33 Å²	33	55.1 Å²	55.1	23%	0.231	30%	0.301	C	S	.	.	H	α-helix	trans	-77.5	-28.2	-176	-58.8	0	0	0	0	113.1	C247 V439 A440 E441	C247-S443 PolarHBondContact SG-O 3.06Å; C247-S443 VanDerWaalsContact SG-O 3.4Å; V439-S443 WeakPolarHBondContact O-CB 3.32Å; V439-S443 PolarHBondContact O-N 3.32Å; V439-S443 PolarHBondContact O-OG 3.28Å; A440-S443 PolarHBondContact O-N 3.14Å; E441-S443 PolarHBondContact O-N 3.14Å
444	V	80.8	Confident	72.1	Confident	12 Å²	12	59.3 Å²	59.3	7%	0.073	33%	0.33	C	S	.	.	H	α-helix	trans	-97.7	-22.4	-176.2	-174.3	0	0	0	0	112.4	M244 A440 L447 N475	M244-V444 HydrophobicContact CG-CG2 4.26Å; A440-V444 WeakPolarHBondContact O-CG2 3.25Å; A440-V444 PolarHBondContact O-N 3.37Å; V444-L447 HydrophobicContact CG1-CD1 4.36Å; V444-L447 WeakPolarHBondContact O-CB 3.26Å; V444-L447 PolarHBondContact O-N 3.33Å; V444-L447 VanDerWaalsContact O-N 3.13Å; V444-N475 WeakPolarHBondContact CG1-ND2 3.46Å
445	Q	68.8	Low	69.3	Low	75 Å²	75	65.8 Å²	65.8	35%	0.35	35%	0.353	S	S	.	.	H	α-helix	trans	-49.1	-40.9	174	-89.2	175.3	-6.1	0	0	115.6	E441 L447 A448	E441-Q445 VanDerWaalsContact O-CG 3.24Å; E441-Q445 WeakPolarHBondContact O-CG 3.4Å; E441-Q445 PolarHBondContact O-N 2.95Å; Q445-L447 PolarHBondContact O-N 3.19Å; Q445-L447 VanDerWaalsContact O-N 3.14Å; Q445-A448 PolarHBondContact O-N 3.49Å
446	P	56.7	Low	66.3	Low	79 Å²	79	72.6 Å²	72.6	51%	0.513	39%	0.39	S	S	.	.	H	α-helix	trans	-62.7	-22	-179.5	-21.6	32.4	0	0	0	114.5	K442	K442-P446 WeakPolarHBondContact O-CD 3.37Å
447	L	51.2	Low	63.1	Low	88 Å²	88	81.7 Å²	81.7	46%	0.461	43%	0.432	S	S	.	.	H	α-helix	trans	-76.4	-27.1	-179.8	-68.8	166.9	0	0	0	112.5	H246 V444 Q445	H246-L447 HydrophobicContact CB-CD1 4.06Å; V444-L447 HydrophobicContact CG1-CD1 4.36Å; V444-L447 WeakPolarHBondContact O-CB 3.26Å; V444-L447 PolarHBondContact O-N 3.33Å; V444-L447 VanDerWaalsContact O-N 3.13Å; Q445-L447 PolarHBondContact O-N 3.19Å; Q445-L447 VanDerWaalsContact O-N 3.14Å
448	A	48.2	Very low	60.3	Low	67 Å²	67	86.8 Å²	86.8	55%	0.554	47%	0.465	S	S	*	.	H	α-helix	trans	-79.3	-29.7	179.9	0	0	0	0	0	112.9	Q445 S452	Q445-A448 PolarHBondContact O-N 3.49Å; A448-S452 PolarHBondContact O-N 3.39Å
449	D	48.2	Very low	57.1	Low	95 Å²	95	89.8 Å²	89.8	51%	0.508	49%	0.49	S	S	.	.	H	α-helix	trans	-83.2	-23.2	-176.8	-79.8	-16.4	0	0	0	114.4	S452 K453	D449-S452 PolarHBondContact O-OG 3.12Å; D449-K453 WeakPolarHBondContact O-CG 3.33Å; D449-K453 PolarHBondContact O-N 3.45Å
450	E	43.7	Very low	54.2	Low	159 Å²	159	98.3 Å²	98.3	74%	0.743	53%	0.528	S	S	*	.	H	α-helix	trans	-75.7	-35.5	173.2	-71.8	-129.7	138.1	0	0	111.9	S452 K453 S454	E450-S452 VanDerWaalsContact C-N 3.34Å; E450-S452 PolarHBondContact O-N 2.64Å; E450-K453 PolarHBondContact O-N 2.81Å; E450-S454 PolarHBondContact O-N 3.4Å
451	D	45.6	Very low	51.1	Low	125 Å²	125	106.9 Å²	106.9	67%	0.668	57%	0.568	S	S	*	*	H	α-helix	trans	-68.5	-33.9	176.6	-105.9	-5.1	0	0	0	112.1	S454	D451-S454 PolarHBondContact O-OG 2.98Å
452	S	44.5	Very low	48.1	Very low	71 Å²	71	116.3 Å²	116.3	50%	0.497	60%	0.602	S	S	.	*	H	α-helix	trans	-73.2	-31.1	177.2	68.3	0	0	0	0	113	A448 D449 E450	A448-S452 PolarHBondContact O-N 3.39Å; D449-S452 PolarHBondContact O-OG 3.12Å; E450-S452 VanDerWaalsContact C-N 3.34Å; E450-S452 PolarHBondContact O-N 2.64Å
453	K	43.3	Very low	45.3	Very low	163 Å²	163	125.4 Å²	125.4	71%	0.709	64%	0.635	S	S	*	*	H	α-helix	trans	-77.3	-17.9	177.2	-73.6	173.5	-174.1	166.4	0	114	D449 E450 K455	D449-K453 WeakPolarHBondContact O-CG 3.33Å; D449-K453 PolarHBondContact O-N 3.45Å; E450-K453 PolarHBondContact O-N 2.81Å; K453-K455 PolarHBondContact O-N 3.11Å
454	S	39.7	Very low	42.6	Very low	88 Å²	88	132.3 Å²	132.3	62%	0.615	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-9.1	178.6	75.1	0	0	0	0	114.7	E450 D451	E450-S454 PolarHBondContact O-N 3.4Å; D451-S454 PolarHBondContact O-OG 2.98Å
455	K	39.7	Very low	40.3	Very low	176 Å²	176	138.2 Å²	138.2	77%	0.765	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	-0.5	-173.3	-84.9	-177.8	-179.8	169.5	0	117.6	K453	K453-K455 PolarHBondContact O-N 3.11Å
456	N	36	Very low	38.4	Very low	150 Å²	150	139.2 Å²	139.2	80%	0.802	72%	0.717	S	S	*	*			trans	-135.4	108.4	179.1	-82.4	-28.2	0	0	0	112.9
457	Q	30	Very low	37.2	Very low	192 Å²	192	143.8 Å²	143.8	90%	0.897	74%	0.737	S	S	*	*			trans	-88.3	158.5	156.8	-103.6	-157	-13.5	0	0	110.7
458	P	40.1	Very low	36.1	Very low	107 Å²	107	145.9 Å²	145.9	70%	0.695	75%	0.748	S	S	*	*			trans	-101.3	141.5	-131.9	36.3	-33.1	0	0	0	113.5
459	S	28.2	Very low	35.5	Very low	117 Å²	117	149 Å²	149	82%	0.818	76%	0.76	S	S	*	*			trans	-108.3	111.6	153.1	60.2	0	0	0	0	108.9	Q461	S459-Q461 PolarHBondContact O-N 2.83Å
460	F	33.7	Very low	34.8	Very low	180 Å²	180	153.2 Å²	153.2	79%	0.789	78%	0.776	S	S	*	*			trans	-52.3	123	170.9	-95.2	-101.4	0	0	0	111.3
461	Q	28.4	Very low	34.8	Very low	179 Å²	179	151.5 Å²	151.5	84%	0.836	78%	0.777	S	S	*	*			trans	-155.7	123.3	152.8	-114.4	170.4	28.6	0	0	111.1	S459	S459-Q461 PolarHBondContact O-N 2.83Å
462	W	29.9	Very low	35.2	Very low	240 Å²	240	147.7 Å²	147.7	91%	0.909	77%	0.767	S	S	*	*			trans	-62	126	177.3	-66	91.9	0	0	0	112.1
463	R	29.4	Very low	36.2	Very low	237 Å²	237	151.9 Å²	151.9	89%	0.894	78%	0.784	S	S	*	*			trans	-143.3	150.7	155	-77.3	-165.2	-155.1	-120.8	0.5	112.2
464	Q	29.5	Very low	37.5	Very low	179 Å²	179	147.4 Å²	147.4	84%	0.836	77%	0.772	S	S	*	*			trans	-60.6	163.8	-166.9	-75.7	178.9	-28.5	0	0	116.1	S466	Q464-S466 PolarHBondContact O-N 3.45Å
465	P	31.1	Very low	39.4	Very low	135 Å²	135	144.6 Å²	144.6	88%	0.877	75%	0.75	S	S	*	*			trans	-80.8	99.5	178.9	32	-29.4	0	0	0	110.7
466	S	28.7	Very low	41.5	Very low	97 Å²	97	140.8 Å²	140.8	68%	0.678	74%	0.743	S	S	*	*			trans	-90.4	120.8	160.5	43	0	0	0	0	109.1	Q464 D468	Q464-S466 PolarHBondContact O-N 3.45Å; S466-D468 PolarHBondContact O-N 3.16Å
467	L	32.8	Very low	43.8	Very low	175 Å²	175	137.6 Å²	137.6	92%	0.916	73%	0.726	S	S	*	*			trans	-72.1	73.3	169.1	-83.6	153	0	0	0	109.3
468	D	28.3	Very low	46.8	Very low	132 Å²	132	128.5 Å²	128.5	71%	0.706	68%	0.684	S	S	*	*			trans	-125.2	104.1	161.8	-73.5	-44.8	0	0	0	105.9	S466 E470	S466-D468 PolarHBondContact O-N 3.16Å; D468-E470 VanDerWaalsContact C-N 3.28Å; D468-E470 PolarHBondContact O-N 3.29Å
469	V	34	Very low	49.3	Very low	131 Å²	131	126.8 Å²	126.8	79%	0.794	67%	0.671	S	S	*	*			trans	-67.8	97.7	165.3	175.9	0	0	0	0	104.9	V471	V469-V471 VanDerWaalsContact C-N 3.29Å; V469-V471 PolarHBondContact O-N 2.98Å
470	E	34.2	Very low	52.5	Low	184 Å²	184	123.8 Å²	123.8	86%	0.86	65%	0.65	S	S	*	*			trans	-59.3	98	168.1	-74.8	-173.4	167.5	0	0	107.3	D468 G472	D468-E470 VanDerWaalsContact C-N 3.28Å; D468-E470 PolarHBondContact O-N 3.29Å; E470-G472 PolarHBondContact O-N 2.9Å
471	V	44.8	Very low	55.5	Low	123 Å²	123	115.2 Å²	115.2	75%	0.745	61%	0.612	S	S	*	*			trans	-65.6	103.1	165.4	-179.6	0	0	0	0	104.9	V469	V469-V471 VanDerWaalsContact C-N 3.29Å; V469-V471 PolarHBondContact O-N 2.98Å
472	G	53.5	Low	58.8	Low	46 Å²	46	109.8 Å²	109.8	47%	0.474	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-54.3	154.9	176.7	0	0	0	0	0	111.4	E470	E470-G472 PolarHBondContact O-N 2.9Å
473	D	64.3	Low	62.1	Low	158 Å²	158	101.8 Å²	101.8	85%	0.845	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-52.7	136.3	179.2	-77.8	-35.9	0	0	0	110.8	N475	D473-N475 PolarHBondContact O-N 3.37Å
474	P	70.4	Confident	65.4	Low	70 Å²	70	91.8 Å²	91.8	46%	0.455	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-55.1	139.9	-179.8	-26.1	33.7	0	0	0	112.1	V479	P474-V479 HydrophobicContact CB-CG2 3.67Å
475	N	79.4	Confident	68.6	Low	28 Å²	28	83.6 Å²	83.6	15%	0.15	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-58.6	123.3	178.3	-179.8	-31.2	0	0	0	110.2	V444 D473 D477 V478 V479	V444-N475 WeakPolarHBondContact CG1-ND2 3.46Å; D473-N475 PolarHBondContact O-N 3.37Å; N475-D477 PolarHBondContact O-N 3.27Å; N475-D477 WeakPolarHBondContact OD1-CB 3.4Å; N475-D477 PolarHBondContact OD1-N 3.49Å; N475-V478 HydrophobicContact CB-CB 4.23Å; N475-V478 HydrophobicContact CB-CG2 3.93Å; N475-V478 PolarHBondContact O-N 3.39Å; N475-V479 WeakPolarHBondContact O-CG2 3.4Å; N475-V479 PolarHBondContact O-N 3.39Å
476	P	85.2	Confident	71.9	Confident	97 Å²	97	79.8 Å²	79.8	63%	0.63	46%	0.463	S	S	*	.	H	α-helix	trans	-59.5	-32	-175.2	23.9	-34.7	0	0	0	113.7	V479 S480	P476-V479 PolarHBondContact O-N 3.49Å; P476-S480 WeakPolarHBondContact O-CB 3.49Å; P476-S480 PolarHBondContact O-N 2.77Å
477	D	84.8	Confident	75.2	Confident	82 Å²	82	80.7 Å²	80.7	44%	0.439	46%	0.455	S	S	.	.	H	α-helix	trans	-66.3	-43.8	176.8	-67.3	-31.2	0	0	0	110.6	R241 N475 V479 S480 F481	R241-D477 CarbonylContact O-C 3.53Å; N475-D477 PolarHBondContact O-N 3.27Å; N475-D477 WeakPolarHBondContact OD1-CB 3.4Å; N475-D477 PolarHBondContact OD1-N 3.49Å; D477-V479 PolarHBondContact O-N 2.96Å; D477-S480 WeakPolarHBondContact O-CB 3.28Å; D477-S480 PolarHBondContact O-N 3.46Å; D477-F481 WeakPolarHBondContact O-CB 3.44Å; D477-F481 PolarHBondContact O-N 3.24Å
478	V	91.3	Very high	78.3	Confident	2 Å²	2	73.5 Å²	73.5	1%	0.012	42%	0.417	C	S	.	.	H	α-helix	trans	-68	-36.6	178.5	-177	0	0	0	0	111.3	T437 A440 E441 N475 F481 R482	T437-V478 HydrophobicContact CG2-CG1 3.43Å; T437-V478 VanDerWaalsContact CG2-CG1 3.43Å; A440-V478 HydrophobicContact CB-CG2 4.17Å; E441-V478 HydrophobicContact CB-CG1 4.11Å; N475-V478 HydrophobicContact CB-CB 4.23Å; N475-V478 HydrophobicContact CB-CG2 3.93Å; N475-V478 PolarHBondContact O-N 3.39Å; V478-F481 PolarHBondContact O-N 3.24Å; V478-R482 WeakPolarHBondContact O-CB 3.39Å; V478-R482 PolarHBondContact O-N 3.16Å
479	V	93.4	Very high	81.7	Confident	70 Å²	70	67.6 Å²	67.6	42%	0.424	39%	0.385	S	S	.	.	H	α-helix	trans	-63	-43.9	173.4	174.9	0	0	0	0	111.2	P474 N475 P476 D477 R482 S483	P474-V479 HydrophobicContact CB-CG2 3.67Å; N475-V479 WeakPolarHBondContact O-CG2 3.4Å; N475-V479 PolarHBondContact O-N 3.39Å; P476-V479 PolarHBondContact O-N 3.49Å; D477-V479 PolarHBondContact O-N 2.96Å; V479-R482 PolarHBondContact O-N 3.42Å; V479-S483 WeakPolarHBondContact O-CB 3.34Å; V479-S483 PolarHBondContact O-N 2.86Å; V479-S483 PolarHBondContact O-OG 3.12Å
480	S	95.1	Very high	84.7	Confident	54 Å²	54	67.4 Å²	67.4	38%	0.378	38%	0.376	S	S	.	.	H	α-helix	trans	-64.3	-43.9	175.9	179.7	0	0	0	0	111.9	P476 D477 S483 T484	P476-S480 WeakPolarHBondContact O-CB 3.49Å; P476-S480 PolarHBondContact O-N 2.77Å; D477-S480 WeakPolarHBondContact O-CB 3.28Å; D477-S480 PolarHBondContact O-N 3.46Å; S480-S483 PolarHBondContact O-N 2.89Å; S480-T484 WeakPolarHBondContact O-CB 3.24Å; S480-T484 PolarHBondContact O-N 3.45Å; S480-T484 PolarHBondContact O-OG1 3.06Å
481	F	97	Very high	87.8	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-57.2	-51.7	173.8	-179.6	-93.6	0	0	0	111.2	W164 F238 R241 T242 L436 T437 D477 V478 S483 T484 W485	W164-F481 HydrophobicContact CH2-CD2 4.22Å; W164-F481 AromaticContact CH2-CE2 3.73Å; W164-F481 HydrophobicContact CH2-CE2 3.73Å; W164-F481 HydrophobicContact CH2-CZ 4.08Å; W164-F481 AromaticContact CZ3-CD2 3.57Å; W164-F481 HydrophobicContact CZ3-CD2 3.57Å; W164-F481 AromaticContact CZ3-CE2 3.38Å; W164-F481 HydrophobicContact CZ3-CE2 3.38Å; W164-F481 HydrophobicContact CZ3-CG 4.5Å; W164-F481 HydrophobicContact CZ3-CZ 4.19Å; F238-F481 HydrophobicContact CB-CE2 4.33Å; F238-F481 AromaticContact CD1-CE2 3.64Å; F238-F481 HydrophobicContact CD1-CE2 3.64Å; F238-F481 HydrophobicContact CD1-CZ 4.16Å; F238-F481 HydrophobicContact CE1-CE2 4.11Å; F238-F481 HydrophobicContact CE1-CZ 4.39Å; F238-F481 AromaticContact CG-CE2 3.99Å; F238-F481 HydrophobicContact CG-CE2 3.99Å; F238-F481 HydrophobicContact CG-CZ 4.26Å; R241-F481 HydrophobicContact CB-CD2 3.91Å; T242-F481 HydrophobicContact CG2-CB 4.47Å; T242-F481 HydrophobicContact CG2-CD1 4.01Å; T242-F481 HydrophobicContact CG2-CD2 3.58Å; T242-F481 HydrophobicContact CG2-CE1 4.1Å; T242-F481 HydrophobicContact CG2-CE2 3.66Å; T242-F481 HydrophobicContact CG2-CG 3.77Å; T242-F481 HydrophobicContact CG2-CZ 3.95Å; L436-F481 HydrophobicContact CD2-CZ 4.29Å; T437-F481 HydrophobicContact CG2-CD1 4.28Å; D477-F481 WeakPolarHBondContact O-CB 3.44Å; D477-F481 PolarHBondContact O-N 3.24Å; V478-F481 PolarHBondContact O-N 3.24Å; F481-S483 PolarHBondContact O-N 3.43Å; F481-T484 WeakPolarHBondContact O-CB 3.24Å; F481-T484 PolarHBondContact O-N 2.68Å; F481-W485 AromaticContact CD1-CD1 3.75Å; F481-W485 AromaticContact CD1-NE1 3.89Å; F481-W485 AromaticContact CE1-CD1 3.66Å; F481-W485 AromaticContact CE1-NE1 3.84Å; F481-W485 PolarHBondContact O-N 3.29Å
482	R	98.3	Very high	90.4	Very high	65 Å²	65	56.8 Å²	56.8	25%	0.245	32%	0.318	C	S	.	.	H	α-helix	trans	-56.3	-50.3	178.7	-163.6	-175.4	-69.6	-97.6	4	112	T437 D438 E441 V478 V479 T484 W485 I486	T437-R482 HydrophobicContact CG2-CB 3.89Å; T437-R482 HydrophobicContact CG2-CG 4.08Å; T437-R482 VanDerWaalsContact CG2-CZ 3.5Å; D438-R482 IonicContact OD1-CZ 3.77Å; D438-R482 IonicContact OD1-NH1 2.64Å; D438-R482 PolarHBondContact OD1-NH1 3.22Å; D438-R482 IonicContact OD1-NH2 3.8Å; D438-R482 PolarHBondContact OD1-NH2 3.34Å; E441-R482 IonicContact OE2-NH2 3.51Å; E441-R482 PolarHBondContact OE2-NH2 3.18Å; V478-R482 WeakPolarHBondContact O-CB 3.39Å; V478-R482 PolarHBondContact O-N 3.16Å; V479-R482 PolarHBondContact O-N 3.42Å; R482-T484 VanDerWaalsContact C-N 3.26Å; R482-T484 PolarHBondContact O-N 2.65Å; R482-W485 HydrophobicContact CG-CZ2 3.99Å; R482-I486 HydrophobicContact CG-CD1 3.73Å; R482-I486 HydrophobicContact CG-CG1 4.47Å; R482-I486 WeakPolarHBondContact O-CB 3.38Å; R482-I486 VanDerWaalsContact O-CG1 3.24Å; R482-I486 WeakPolarHBondContact O-CG1 3.34Å; R482-I486 PolarHBondContact O-N 2.91Å; R482-I486 VanDerWaalsContact O-N 3.11Å
483	S	98.1	Very high	92.4	Very high	72 Å²	72	56.9 Å²	56.9	50%	0.503	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-35.3	-179	-57.1	0	0	0	0	112.1	V479 S480 F481 K487	V479-S483 WeakPolarHBondContact O-CB 3.34Å; V479-S483 PolarHBondContact O-N 2.86Å; V479-S483 PolarHBondContact O-OG 3.12Å; S480-S483 PolarHBondContact O-N 2.89Å; F481-S483 PolarHBondContact O-N 3.43Å; S483-K487 WeakPolarHBondContact O-CB 3.44Å; S483-K487 PolarHBondContact O-N 3.48Å; S483-K487 VanDerWaalsContact O-N 3.16Å
484	T	98.4	Very high	94	Very high	28 Å²	28	53.7 Å²	53.7	17%	0.172	29%	0.285	C	S	.	.	H	α-helix	trans	-67	-53.8	-179	-58.8	0	0	0	0	111.7	W164 S480 F481 R482 K487 H488	W164-T484 HydrophobicContact CB-CG2 4.41Å; W164-T484 HydrophobicContact CD2-CG2 3.82Å; W164-T484 HydrophobicContact CE3-CG2 4.03Å; W164-T484 HydrophobicContact CG-CG2 3.99Å; S480-T484 WeakPolarHBondContact O-CB 3.24Å; S480-T484 PolarHBondContact O-N 3.45Å; S480-T484 PolarHBondContact O-OG1 3.06Å; F481-T484 WeakPolarHBondContact O-CB 3.24Å; F481-T484 PolarHBondContact O-N 2.68Å; R482-T484 VanDerWaalsContact C-N 3.26Å; R482-T484 PolarHBondContact O-N 2.65Å; T484-K487 PolarHBondContact O-N 3.49Å; T484-H488 PolarHBondContact O-CD2 3.45Å; T484-H488 PolarHBondContact O-N 3.11Å
485	W	98.6	Very high	95.3	Very high	6 Å²	6	54.1 Å²	54.1	2%	0.023	28%	0.28	C	S	.	.	H	α-helix	trans	-70.3	-36.4	-177.8	68	-108.9	0	0	0	112	W164 T375 E430 F433 T437 F481 R482 K487 H488 I489	W164-W485 HydrophobicContact CH2-CB 3.88Å; W164-W485 HydrophobicContact CZ2-CB 3.83Å; T375-W485 HydrophobicContact CG2-CB 4.3Å; E430-W485 HydrophobicContact CG-CZ3 4.31Å; F433-W485 HydrophobicContact CB-CD2 3.79Å; F433-W485 HydrophobicContact CB-CE3 3.94Å; F433-W485 HydrophobicContact CB-CG 4.31Å; F433-W485 HydrophobicContact CB-CH2 4.25Å; F433-W485 HydrophobicContact CB-CZ2 4.09Å; F433-W485 HydrophobicContact CB-CZ3 4.16Å; F433-W485 HydrophobicContact CD1-CB 3.94Å; F433-W485 AromaticContact CD1-CD1 3.89Å; F433-W485 HydrophobicContact CD1-CD2 4.13Å; F433-W485 AromaticContact CD1-CG 3.75Å; F433-W485 HydrophobicContact CD1-CG 3.75Å; F433-W485 HydrophobicContact CE1-CB 4.33Å; F433-W485 HydrophobicContact CG-CD2 4.31Å; F433-W485 HydrophobicContact CG-CG 4.39Å; T437-W485 PolarHBondContact OG1-NE1 3.4Å; F481-W485 AromaticContact CD1-CD1 3.75Å; F481-W485 AromaticContact CD1-NE1 3.89Å; F481-W485 AromaticContact CE1-CD1 3.66Å; F481-W485 AromaticContact CE1-NE1 3.84Å; F481-W485 PolarHBondContact O-N 3.29Å; R482-W485 HydrophobicContact CG-CZ2 3.99Å; W485-K487 VanDerWaalsContact C-N 3.32Å; W485-K487 PolarHBondContact O-N 2.95Å; W485-H488 PolarHBondContact O-N 2.81Å; W485-I489 HydrophobicContact CE3-CD1 3.79Å; W485-I489 HydrophobicContact CE3-CG1 4.24Å; W485-I489 HydrophobicContact CZ3-CD1 3.55Å; W485-I489 HydrophobicContact CZ3-CG1 4.42Å; W485-I489 WeakPolarHBondContact O-CG1 3.19Å; W485-I489 PolarHBondContact O-N 2.91Å
486	I	98.7	Very high	96	Very high	55 Å²	55	52.8 Å²	52.8	28%	0.282	27%	0.273	S	S	.	.	H	α-helix	trans	-57.5	-47.3	175.5	-73.5	176.5	0	0	0	110.4	R482 H488 I489 Q490	R482-I486 HydrophobicContact CG-CD1 3.73Å; R482-I486 HydrophobicContact CG-CG1 4.47Å; R482-I486 WeakPolarHBondContact O-CB 3.38Å; R482-I486 VanDerWaalsContact O-CG1 3.24Å; R482-I486 WeakPolarHBondContact O-CG1 3.34Å; R482-I486 PolarHBondContact O-N 2.91Å; R482-I486 VanDerWaalsContact O-N 3.11Å; I486-H488 PolarHBondContact O-N 2.99Å; I486-I489 VanDerWaalsContact O-CG1 3.24Å; I486-I489 WeakPolarHBondContact O-CG1 3.42Å; I486-I489 PolarHBondContact O-N 3.33Å; I486-Q490 HydrophobicContact CG2-CG 4.38Å; I486-Q490 WeakPolarHBondContact O-CB 3.2Å; I486-Q490 VanDerWaalsContact O-CG 3.25Å; I486-Q490 WeakPolarHBondContact O-CG 3.39Å; I486-Q490 PolarHBondContact O-N 2.89Å
487	K	98.6	Very high	96.4	Very high	116 Å²	116	52.7 Å²	52.7	50%	0.504	26%	0.263	S	S	.	.	H	α-helix	trans	-57.1	-50	178.2	176.8	-177.9	171.8	-177.9	0	111.1	S483 T484 W485 Q490 E491	S483-K487 WeakPolarHBondContact O-CB 3.44Å; S483-K487 PolarHBondContact O-N 3.48Å; S483-K487 VanDerWaalsContact O-N 3.16Å; T484-K487 PolarHBondContact O-N 3.49Å; W485-K487 VanDerWaalsContact C-N 3.32Å; W485-K487 PolarHBondContact O-N 2.95Å; K487-Q490 PolarHBondContact O-N 3.31Å; K487-E491 WeakPolarHBondContact CE-OE1 3.24Å; K487-E491 HydrophobicContact CG-CG 4.46Å; K487-E491 IonicContact NZ-OE1 2.6Å; K487-E491 WeakPolarHBondContact O-CG 3.47Å; K487-E491 PolarHBondContact O-N 2.88Å
488	H	98.6	Very high	96.8	Very high	25 Å²	25	53.9 Å²	53.9	12%	0.116	27%	0.266	C	S	.	.	H	α-helix	trans	-66.6	-42.4	-177.2	-76.9	-47.7	0	0	0	113.3	W164 T375 T484 W485 I486 Q490 E491 N492	W164-H488 AromaticContact NE1-CD2 3.94Å; T375-H488 WeakPolarHBondContact O-CB 3.45Å; T375-H488 PolarHBondContact O-CD2 3.2Å; T375-H488 VanDerWaalsContact O-CG 3.27Å; T484-H488 PolarHBondContact O-CD2 3.45Å; T484-H488 PolarHBondContact O-N 3.11Å; W485-H488 PolarHBondContact O-N 2.81Å; I486-H488 PolarHBondContact O-N 2.99Å; H488-Q490 VanDerWaalsContact C-N 3.29Å; H488-Q490 PolarHBondContact O-N 2.61Å; H488-E491 IonicContact ND1-OE2 3.66Å; H488-E491 PolarHBondContact ND1-OE2 3.38Å; H488-E491 PolarHBondContact O-N 3.36Å; H488-N492 VanDerWaalsContact O-CB 3.26Å; H488-N492 WeakPolarHBondContact O-CB 3.46Å; H488-N492 PolarHBondContact O-N 2.86Å; H488-N492 PolarHBondContact O-ND2 3.44Å
489	I	98.4	Very high	96.7	Very high	8 Å²	8	56.1 Å²	56.1	4%	0.041	27%	0.274	C	S	.	.	H	α-helix	trans	-65	-35.1	177	64.9	166.1	0	0	0	111.7	T375 I425 V429 E430 W485 I486 K493	T375-I489 HydrophobicContact CG2-CG2 3.78Å; I425-I489 HydrophobicContact CG2-CB 3.91Å; I425-I489 HydrophobicContact CG2-CG2 4.42Å; V429-I489 HydrophobicContact CG1-CG2 4.35Å; E430-I489 HydrophobicContact CB-CD1 3.98Å; E430-I489 HydrophobicContact CG-CD1 4.14Å; W485-I489 HydrophobicContact CE3-CD1 3.79Å; W485-I489 HydrophobicContact CE3-CG1 4.24Å; W485-I489 HydrophobicContact CZ3-CD1 3.55Å; W485-I489 HydrophobicContact CZ3-CG1 4.42Å; W485-I489 WeakPolarHBondContact O-CG1 3.19Å; W485-I489 PolarHBondContact O-N 2.91Å; I486-I489 VanDerWaalsContact O-CG1 3.24Å; I486-I489 WeakPolarHBondContact O-CG1 3.42Å; I486-I489 PolarHBondContact O-N 3.33Å; I489-K493 WeakPolarHBondContact O-CB 2.82Å; I489-K493 PolarHBondContact O-N 3.38Å
490	Q	98.6	Very high	96.3	Very high	126 Å²	126	54.5 Å²	54.5	59%	0.589	27%	0.268	S	S	*	.	H	α-helix	trans	-67.7	-47.1	176.8	-75	178.1	-12	0	0	111.6	I486 K487 H488 K493 Q494	I486-Q490 HydrophobicContact CG2-CG 4.38Å; I486-Q490 WeakPolarHBondContact O-CB 3.2Å; I486-Q490 VanDerWaalsContact O-CG 3.25Å; I486-Q490 WeakPolarHBondContact O-CG 3.39Å; I486-Q490 PolarHBondContact O-N 2.89Å; K487-Q490 PolarHBondContact O-N 3.31Å; H488-Q490 VanDerWaalsContact C-N 3.29Å; H488-Q490 PolarHBondContact O-N 2.61Å; Q490-K493 PolarHBondContact O-N 3.39Å; Q490-Q494 WeakPolarHBondContact O-CB 3.37Å; Q490-Q494 PolarHBondContact O-N 3.05Å
491	E	98.4	Very high	95.9	Very high	84 Å²	84	56.1 Å²	56.1	39%	0.393	29%	0.285	S	S	.	.	H	α-helix	trans	-58.8	-47.5	175.3	-73.9	173.2	172.3	0	0	111.4	K487 H488 Q494 K495	K487-E491 WeakPolarHBondContact CE-OE1 3.24Å; K487-E491 HydrophobicContact CG-CG 4.46Å; K487-E491 IonicContact NZ-OE1 2.6Å; K487-E491 WeakPolarHBondContact O-CG 3.47Å; K487-E491 PolarHBondContact O-N 2.88Å; H488-E491 IonicContact ND1-OE2 3.66Å; H488-E491 PolarHBondContact ND1-OE2 3.38Å; H488-E491 PolarHBondContact O-N 3.36Å; E491-Q494 PolarHBondContact O-N 3.5Å; E491-K495 WeakPolarHBondContact O-CG 3.48Å; E491-K495 PolarHBondContact O-N 3.36Å
492	N	98.4	Very high	95.1	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-68.1	-41.8	-178.5	-72.8	-22.9	0	0	0	112.1	P374 K376 W378 H381 I425 H488 Q494 K495 W496	P374-N492 PolarHBondContact O-ND2 3.38Å; K376-N492 PolarHBondContact O-ND2 3.44Å; W378-N492 WeakPolarHBondContact CA-OD1 3.35Å; W378-N492 HydrophobicContact CE3-CB 4.4Å; H381-N492 VanDerWaalsContact CD2-CG 3.46Å; H381-N492 PolarHBondContact CD2-ND2 3.43Å; I425-N492 HydrophobicContact CD1-CB 4.44Å; H488-N492 VanDerWaalsContact O-CB 3.26Å; H488-N492 WeakPolarHBondContact O-CB 3.46Å; H488-N492 PolarHBondContact O-N 2.86Å; H488-N492 PolarHBondContact O-ND2 3.44Å; N492-Q494 VanDerWaalsContact C-N 3.3Å; N492-Q494 PolarHBondContact O-N 3.17Å; N492-K495 PolarHBondContact O-N 3.11Å; N492-W496 PolarHBondContact O-N 2.81Å
493	K	97.3	Very high	93.5	Very high	48 Å²	48	59.3 Å²	59.3	21%	0.209	33%	0.326	C	S	.	.	H	α-helix	trans	-59.8	-41.4	173	-178.2	178	-175.2	171.6	0	111.5	I422 I425 D426 I489 Q490 W496 K497	I422-K493 HydrophobicContact CG1-CG 4.42Å; I422-K493 HydrophobicContact CG2-CG 4.32Å; I425-K493 HydrophobicContact CD1-CB 4.42Å; D426-K493 WeakPolarHBondContact OD1-CD 3.42Å; D426-K493 WeakPolarHBondContact OD1-CE 3.36Å; D426-K493 IonicContact OD1-NZ 3.18Å; D426-K493 PolarHBondContact OD1-NZ 3.3Å; D426-K493 VanDerWaalsContact OD2-CE 3.26Å; D426-K493 WeakPolarHBondContact OD2-CE 3.32Å; D426-K493 IonicContact OD2-NZ 3.7Å; D426-K493 PolarHBondContact OD2-NZ 3.31Å; I489-K493 WeakPolarHBondContact O-CB 2.82Å; I489-K493 PolarHBondContact O-N 3.38Å; Q490-K493 PolarHBondContact O-N 3.39Å; K493-W496 PolarHBondContact O-N 3.14Å; K493-K497 WeakPolarHBondContact O-CG 3.39Å; K493-K497 PolarHBondContact O-N 3.36Å
494	Q	97.4	Very high	91.7	Very high	90 Å²	90	58 Å²	58	42%	0.421	31%	0.313	S	S	.	.	H	α-helix	trans	-63.9	-44.2	177.6	-178.4	54.5	36.8	0	0	111.5	Q490 E491 N492 W496 K497 E498	Q490-Q494 WeakPolarHBondContact O-CB 3.37Å; Q490-Q494 PolarHBondContact O-N 3.05Å; E491-Q494 PolarHBondContact O-N 3.5Å; N492-Q494 VanDerWaalsContact C-N 3.3Å; N492-Q494 PolarHBondContact O-N 3.17Å; Q494-W496 VanDerWaalsContact C-N 3.33Å; Q494-W496 PolarHBondContact O-N 3.41Å; Q494-K497 WeakPolarHBondContact O-CB 3.34Å; Q494-K497 PolarHBondContact O-N 3.29Å; Q494-K497 VanDerWaalsContact O-N 3.13Å; Q494-E498 WeakPolarHBondContact CG-OE1 3.3Å; Q494-E498 PolarHBondContact NE2-OE1 3.42Å; Q494-E498 WeakPolarHBondContact O-CG 3.39Å; Q494-E498 PolarHBondContact O-N 2.87Å
495	K	96.2	Very high	89.6	Confident	80 Å²	80	60.6 Å²	60.6	35%	0.348	33%	0.329	S	S	.	.	H	α-helix	trans	-61.6	-38.3	174.7	-72.3	-176.1	176.1	-171.8	0	113	W378 E491 N492 E498 R499	W378-K495 HydrophobicContact CB-CD 3.72Å; W378-K495 HydrophobicContact CD2-CB 4.04Å; W378-K495 HydrophobicContact CD2-CD 3.21Å; W378-K495 HydrophobicContact CD2-CG 4.26Å; W378-K495 HydrophobicContact CE3-CB 3.63Å; W378-K495 HydrophobicContact CE3-CD 3.5Å; W378-K495 VanDerWaalsContact CE3-CD 3.5Å; W378-K495 HydrophobicContact CE3-CG 4.19Å; W378-K495 HydrophobicContact CG-CD 3.28Å; W378-K495 HydrophobicContact CH2-CB 3.89Å; W378-K495 HydrophobicContact CZ2-CB 4.28Å; W378-K495 HydrophobicContact CZ3-CB 3.53Å; W378-K495 HydrophobicContact CZ3-CD 4.27Å; E491-K495 WeakPolarHBondContact O-CG 3.48Å; E491-K495 PolarHBondContact O-N 3.36Å; N492-K495 PolarHBondContact O-N 3.11Å; K495-E498 PolarHBondContact O-N 3.49Å; K495-R499 WeakPolarHBondContact O-CG 3.18Å; K495-R499 PolarHBondContact O-N 3.02Å
496	W	94.7	Very high	87.6	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-66.3	-38.5	172.9	-72.6	124.6	0	0	0	112.8	W378 H381 T385 V417 A418 Q421 I422 N492 K493 Q494 E498 R499 A500 L513	W378-W496 AromaticContact CH2-CD2 3.73Å; W378-W496 HydrophobicContact CH2-CD2 3.73Å; W378-W496 AromaticContact CH2-CE2 3.58Å; W378-W496 AromaticContact CH2-CE3 3.92Å; W378-W496 HydrophobicContact CH2-CE3 3.92Å; W378-W496 HydrophobicContact CH2-CG 4.36Å; W378-W496 AromaticContact CH2-CH2 3.88Å; W378-W496 HydrophobicContact CH2-CH2 3.88Å; W378-W496 AromaticContact CH2-CZ2 3.66Å; W378-W496 HydrophobicContact CH2-CZ2 3.66Å; W378-W496 HydrophobicContact CH2-CZ3 4.01Å; W378-W496 AromaticContact CZ3-CD1 4Å; W378-W496 AromaticContact CZ3-CD2 3.91Å; W378-W496 HydrophobicContact CZ3-CD2 3.91Å; W378-W496 AromaticContact CZ3-CE2 3.56Å; W378-W496 HydrophobicContact CZ3-CG 4.17Å; W378-W496 AromaticContact CZ3-CZ2 3.93Å; W378-W496 HydrophobicContact CZ3-CZ2 3.93Å; W378-W496 AromaticContact CZ3-NE1 3.62Å; H381-W496 AromaticContact CD2-NE1 3.71Å; H381-W496 AromaticContact CE1-NE1 3.76Å; H381-W496 AromaticContact NE2-CD1 3.85Å; H381-W496 AromaticContact NE2-CE2 3.82Å; H381-W496 AromaticContact NE2-NE1 2.9Å; H381-W496 PolarHBondContact NE2-NE1 2.92Å; T385-W496 HydrophobicContact CG2-CH2 3.85Å; T385-W496 HydrophobicContact CG2-CZ2 3.77Å; V417-W496 HydrophobicContact CG1-CH2 4.31Å; V417-W496 HydrophobicContact CG1-CZ3 4.32Å; A418-W496 HydrophobicContact CB-CE3 3.8Å; Q421-W496 HydrophobicContact CB-CD2 4.03Å; Q421-W496 HydrophobicContact CB-CG 4.08Å; Q421-W496 HydrophobicContact CB-CZ2 4.33Å; Q421-W496 HydrophobicContact CG-CD2 4.42Å; Q421-W496 HydrophobicContact CG-CH2 4.48Å; Q421-W496 HydrophobicContact CG-CZ2 3.92Å; I422-W496 HydrophobicContact CD1-CB 3.97Å; I422-W496 HydrophobicContact CG1-CB 3.65Å; N492-W496 PolarHBondContact O-N 2.81Å; K493-W496 PolarHBondContact O-N 3.14Å; Q494-W496 VanDerWaalsContact C-N 3.33Å; Q494-W496 PolarHBondContact O-N 3.41Å; W496-E498 VanDerWaalsContact C-N 3.34Å; W496-E498 PolarHBondContact O-N 3.29Å; W496-R499 HydrophobicContact CE3-CB 4.48Å; W496-R499 PolarHBondContact O-N 3.31Å; W496-A500 WeakPolarHBondContact O-CB 3.09Å; W496-A500 PolarHBondContact O-N 2.95Å; W496-L513 HydrophobicContact CH2-CD1 3.96Å; W496-L513 HydrophobicContact CH2-CD2 3.64Å; W496-L513 HydrophobicContact CH2-CG 4.45Å; W496-L513 HydrophobicContact CZ3-CD2 4.11Å
497	K	93.6	Very high	85.3	Confident	95 Å²	95	63.3 Å²	63.3	41%	0.413	34%	0.342	S	S	.	.	H	α-helix	trans	-62.2	-41.9	174.2	-73.5	173.8	177.7	179.1	0	111.9	I422 K493 Q494 A500 A501	I422-K497 HydrophobicContact CD1-CG 3.76Å; K493-K497 WeakPolarHBondContact O-CG 3.39Å; K493-K497 PolarHBondContact O-N 3.36Å; Q494-K497 WeakPolarHBondContact O-CB 3.34Å; Q494-K497 PolarHBondContact O-N 3.29Å; Q494-K497 VanDerWaalsContact O-N 3.13Å; K497-A500 PolarHBondContact O-N 3.34Å; K497-A501 WeakPolarHBondContact O-CB 3.25Å; K497-A501 PolarHBondContact O-N 2.99Å
498	E	92.8	Very high	83	Confident	107 Å²	107	62.7 Å²	62.7	50%	0.5	34%	0.342	S	S	.	.	H	α-helix	trans	-62.5	-43.3	176.1	-72.9	162.9	-166.9	0	0	111.7	Q494 K495 W496 A501 S502	Q494-E498 WeakPolarHBondContact CG-OE1 3.3Å; Q494-E498 PolarHBondContact NE2-OE1 3.42Å; Q494-E498 WeakPolarHBondContact O-CG 3.39Å; Q494-E498 PolarHBondContact O-N 2.87Å; K495-E498 PolarHBondContact O-N 3.49Å; W496-E498 VanDerWaalsContact C-N 3.34Å; W496-E498 PolarHBondContact O-N 3.29Å; E498-A501 PolarHBondContact O-N 3.18Å; E498-S502 WeakPolarHBondContact O-CB 3.24Å; E498-S502 PolarHBondContact O-N 3.34Å; E498-S502 PolarHBondContact O-OG 3.2Å
499	R	89.4	Confident	81	Confident	48 Å²	48	61.9 Å²	61.9	18%	0.181	34%	0.339	C	S	.	.	H	α-helix	trans	-64.4	-40.8	173.9	-75.5	-175.6	170.2	-122.7	0.9	112.8	K495 W496 A501 S502 I504 S509 E512 L513	K495-R499 WeakPolarHBondContact O-CG 3.18Å; K495-R499 PolarHBondContact O-N 3.02Å; W496-R499 HydrophobicContact CE3-CB 4.48Å; W496-R499 PolarHBondContact O-N 3.31Å; R499-A501 VanDerWaalsContact C-N 3.34Å; R499-S502 WeakPolarHBondContact CA-OG 3.26Å; R499-S502 PolarHBondContact O-OG 2.97Å; R499-I504 HydrophobicContact CG-CD1 4.47Å; R499-S509 PolarHBondContact NH1-O 2.98Å; R499-E512 PolarHBondContact NH2-O 3.34Å; R499-L513 VanDerWaalsContact CZ-CD2 3.47Å
500	A	85.9	Confident	79.1	Confident	36 Å²	36	61.9 Å²	61.9	30%	0.298	34%	0.339	S	S	.	.	H	α-helix	trans	-65.3	-37.8	175.9	0	0	0	0	0	112.1	A418 W496 K497	A418-A500 HydrophobicContact CB-CB 3.97Å; W496-A500 WeakPolarHBondContact O-CB 3.09Å; W496-A500 PolarHBondContact O-N 2.95Å; K497-A500 PolarHBondContact O-N 3.34Å
501	A	86.8	Confident	77.4	Confident	89 Å²	89	60.6 Å²	60.6	74%	0.736	34%	0.336	S	S	*	.	H	α-helix	trans	-74.7	-27.9	-179.6	0	0	0	0	0	113.7	K497 E498 R499 G503	K497-A501 WeakPolarHBondContact O-CB 3.25Å; K497-A501 PolarHBondContact O-N 2.99Å; E498-A501 PolarHBondContact O-N 3.18Å; R499-A501 VanDerWaalsContact C-N 3.34Å; A501-G503 PolarHBondContact O-N 3.42Å
502	S	79.4	Confident	75.5	Confident	74 Å²	74	60.9 Å²	60.9	52%	0.517	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-3.5	-179.7	38.1	0	0	0	0	114	E498 R499 I504	E498-S502 WeakPolarHBondContact O-CB 3.24Å; E498-S502 PolarHBondContact O-N 3.34Å; E498-S502 PolarHBondContact O-OG 3.2Å; R499-S502 WeakPolarHBondContact CA-OG 3.26Å; R499-S502 PolarHBondContact O-OG 2.97Å; S502-I504 PolarHBondContact O-N 3.34Å; S502-I504 WeakPolarHBondContact OG-CD1 3.34Å
503	G	64.8	Low	73.7	Confident	58 Å²	58	61 Å²	61	60%	0.598	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	16.4	173.9	0	0	0	0	0	114.4	A501 T505	A501-G503 PolarHBondContact O-N 3.42Å; G503-T505 PolarHBondContact O-N 3.14Å; G503-T505 VanDerWaalsContact O-N 3.09Å
504	I	60.3	Low	71.3	Confident	44 Å²	44	62.3 Å²	62.3	23%	0.226	35%	0.353	C	S	.	.			trans	-60	113.9	175	-57.4	163.1	0	0	0	107.7	R499 S502 M508 S509 E512	R499-I504 HydrophobicContact CG-CD1 4.47Å; S502-I504 PolarHBondContact O-N 3.34Å; S502-I504 WeakPolarHBondContact OG-CD1 3.34Å; I504-M508 HydrophobicContact CG2-CB 4.08Å; I504-S509 VanDerWaalsContact CG2-CA 3.44Å; I504-E512 WeakPolarHBondContact CD1-OE2 3.37Å; I504-E512 WeakPolarHBondContact CG2-OE2 3.42Å
505	T	55.3	Low	68.6	Low	82 Å²	82	61.9 Å²	61.9	50%	0.503	36%	0.358	S	S	.	.			trans	-64.1	156.3	-175.5	61.4	0	0	0	0	112.3	G503 Q507 M508 S509	G503-T505 PolarHBondContact O-N 3.14Å; G503-T505 VanDerWaalsContact O-N 3.09Å; T505-Q507 VanDerWaalsContact C-N 3.32Å; T505-Q507 PolarHBondContact O-N 3.35Å; T505-Q507 VanDerWaalsContact O-N 3.14Å; T505-M508 PolarHBondContact O-N 3.35Å; T505-M508 VanDerWaalsContact O-N 3.11Å; T505-S509 WeakPolarHBondContact O-CB 3.48Å; T505-S509 PolarHBondContact O-N 3.05Å
506	N	55.3	Low	65.6	Low	38 Å²	38	63.5 Å²	63.5	20%	0.203	38%	0.378	C	S	.	.	H	α-helix	trans	-48.4	-44.3	-170.6	-64.9	-14.3	0	0	0	115	T413 S414 T415 L416	T413-N506 PolarHBondContact O-ND2 3.26Å; S414-N506 VanDerWaalsContact C-ND2 3.28Å; S414-N506 PolarHBondContact O-ND2 3.05Å; T415-N506 WeakPolarHBondContact O-CB 3.38Å; T415-N506 PolarHBondContact O-ND2 3.06Å; T415-N506 PolarHBondContact O-OD1 3.41Å; L416-N506 WeakPolarHBondContact CD2-OD1 3.48Å
507	Q	50.7	Low	62.7	Low	80 Å²	80	70.6 Å²	70.6	37%	0.374	42%	0.416	S	S	.	.	H	α-helix	trans	-77.1	-43.5	-179.3	-161.9	71.1	47.5	0	0	111.9	T505 S509 I510 D511	T505-Q507 VanDerWaalsContact C-N 3.32Å; T505-Q507 PolarHBondContact O-N 3.35Å; T505-Q507 VanDerWaalsContact O-N 3.14Å; Q507-S509 VanDerWaalsContact C-N 3.27Å; Q507-S509 PolarHBondContact O-N 3.24Å; Q507-I510 PolarHBondContact O-N 3.43Å; Q507-D511 PolarHBondContact O-N 3.04Å
508	M	51.2	Low	60.5	Low	104 Å²	104	75.5 Å²	75.5	51%	0.512	44%	0.441	S	S	.	.	H	α-helix	trans	-65.4	-31.9	177	-67.9	-177.3	65.4	0	0	112.1	I504 T505 I510 D511 E512	I504-M508 HydrophobicContact CG2-CB 4.08Å; T505-M508 PolarHBondContact O-N 3.35Å; T505-M508 VanDerWaalsContact O-N 3.11Å; M508-I510 VanDerWaalsContact C-N 3.27Å; M508-I510 PolarHBondContact O-N 2.6Å; M508-D511 PolarHBondContact O-N 3.27Å; M508-E512 VanDerWaalsContact O-CB 3.24Å; M508-E512 WeakPolarHBondContact O-CB 3.42Å; M508-E512 VanDerWaalsContact O-CG 3.24Å; M508-E512 WeakPolarHBondContact O-CG 3.44Å; M508-E512 PolarHBondContact O-N 2.86Å
509	S	55.7	Low	57.5	Low	7 Å²	7	79.3 Å²	79.3	5%	0.049	46%	0.459	C	S	.	.	H	α-helix	trans	-60.4	-37.1	-178.6	-164.7	0	0	0	0	112.5	R499 I504 T505 Q507 L513	R499-S509 PolarHBondContact NH1-O 2.98Å; I504-S509 VanDerWaalsContact CG2-CA 3.44Å; T505-S509 WeakPolarHBondContact O-CB 3.48Å; T505-S509 PolarHBondContact O-N 3.05Å; Q507-S509 VanDerWaalsContact C-N 3.27Å; Q507-S509 PolarHBondContact O-N 3.24Å; S509-L513 VanDerWaalsContact O-CG 3.32Å; S509-L513 WeakPolarHBondContact O-CG 3.5Å; S509-L513 PolarHBondContact O-N 2.68Å
510	I	59.8	Low	54.7	Low	8 Å²	8	80.8 Å²	80.8	4%	0.041	48%	0.481	C	S	.	.	H	α-helix	trans	-84.9	-36.7	-177.6	-63	168.9	0	0	0	111.4	K386 M389 F393 V417 Q507 M508 E512 L513	K386-I510 HydrophobicContact CD-CG2 4.41Å; K386-I510 WeakPolarHBondContact CD-O 3.33Å; K386-I510 VanDerWaalsContact CE-O 3.26Å; K386-I510 WeakPolarHBondContact CE-O 3.33Å; K386-I510 HydrophobicContact CG-CG2 3.9Å; K386-I510 PolarHBondContact NZ-O 3.28Å; M389-I510 HydrophobicContact CB-CD1 4.12Å; F393-I510 HydrophobicContact CD2-CD1 4.35Å; F393-I510 HydrophobicContact CE2-CD1 3.18Å; F393-I510 HydrophobicContact CZ-CD1 3.46Å; F393-I510 VanDerWaalsContact CZ-CD1 3.46Å; V417-I510 HydrophobicContact CG2-CD1 3.73Å; V417-I510 HydrophobicContact CG2-CG1 3.91Å; Q507-I510 PolarHBondContact O-N 3.43Å; M508-I510 VanDerWaalsContact C-N 3.27Å; M508-I510 PolarHBondContact O-N 2.6Å; I510-E512 VanDerWaalsContact C-N 3.31Å; I510-E512 PolarHBondContact O-N 3.02Å; I510-L513 WeakPolarHBondContact O-CB 3.39Å; I510-L513 PolarHBondContact O-N 3.09Å; I510-L513 VanDerWaalsContact O-N 3.12Å
511	D	61.2	Low	52.3	Low	100 Å²	100	84.5 Å²	84.5	54%	0.535	50%	0.502	S	S	.	.	H	α-helix	trans	-65.5	-37.3	173.5	-69.4	-27.8	0	0	0	110.9	Q507 M508 L513 S514	Q507-D511 PolarHBondContact O-N 3.04Å; M508-D511 PolarHBondContact O-N 3.27Å; D511-L513 VanDerWaalsContact C-N 3.28Å; D511-L513 PolarHBondContact O-N 3.34Å; D511-S514 PolarHBondContact O-N 3.02Å
512	E	59.8	Low	49.7	Very low	90 Å²	90	86.1 Å²	86.1	42%	0.421	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-3.1	171.7	-69.9	178.8	-170.1	0	0	114.7	R499 I504 M508 I510 S514	R499-E512 PolarHBondContact NH2-O 3.34Å; I504-E512 WeakPolarHBondContact CD1-OE2 3.37Å; I504-E512 WeakPolarHBondContact CG2-OE2 3.42Å; M508-E512 VanDerWaalsContact O-CB 3.24Å; M508-E512 WeakPolarHBondContact O-CB 3.42Å; M508-E512 VanDerWaalsContact O-CG 3.24Å; M508-E512 WeakPolarHBondContact O-CG 3.44Å; M508-E512 PolarHBondContact O-N 2.86Å; I510-E512 VanDerWaalsContact C-N 3.31Å; I510-E512 PolarHBondContact O-N 3.02Å; E512-S514 PolarHBondContact O-N 3.5Å
513	L	60.5	Low	47.5	Very low	4 Å²	4	87.4 Å²	87.4	2%	0.021	51%	0.514	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	15.7	162.7	-68.3	165.4	0	0	0	111.3	W378 K386 W496 R499 S509 I510 D511	W378-L513 HydrophobicContact CZ2-CD2 4.18Å; K386-L513 HydrophobicContact CB-CB 4.1Å; K386-L513 HydrophobicContact CB-CD1 4.12Å; K386-L513 HydrophobicContact CD-CB 4Å; K386-L513 HydrophobicContact CG-CB 4.49Å; W496-L513 HydrophobicContact CH2-CD1 3.96Å; W496-L513 HydrophobicContact CH2-CD2 3.64Å; W496-L513 HydrophobicContact CH2-CG 4.45Å; W496-L513 HydrophobicContact CZ3-CD2 4.11Å; R499-L513 VanDerWaalsContact CZ-CD2 3.47Å; S509-L513 VanDerWaalsContact O-CG 3.32Å; S509-L513 WeakPolarHBondContact O-CG 3.5Å; S509-L513 PolarHBondContact O-N 2.68Å; I510-L513 WeakPolarHBondContact O-CB 3.39Å; I510-L513 PolarHBondContact O-N 3.09Å; I510-L513 VanDerWaalsContact O-N 3.12Å; D511-L513 VanDerWaalsContact C-N 3.28Å; D511-L513 PolarHBondContact O-N 3.34Å
514	S	46.9	Very low	46.1	Very low	74 Å²	74	90.3 Å²	90.3	52%	0.517	52%	0.522	S	S	.	.			trans	-48.2	137.4	174.5	-152.5	0	0	0	0	110.6	D511 E512 C516	D511-S514 PolarHBondContact O-N 3.02Å; E512-S514 PolarHBondContact O-N 3.5Å; S514-C516 PolarHBondContact O-N 2.96Å
515	P	41.1	Very low	44.8	Very low	81 Å²	81	92.4 Å²	92.4	53%	0.526	55%	0.546	S	S	.	.			trans	-52.3	133.4	174.1	22.8	-32.7	0	0	0	108.2	D517	P515-D517 PolarHBondContact O-N 3.42Å; P515-D517 VanDerWaalsContact O-N 3.14Å
516	C	32.5	Very low	43.7	Very low	115 Å²	115	97.4 Å²	97.4	78%	0.777	56%	0.564	S	S	*	*	S	Bend	trans	-42.3	127.9	166.8	-70.6	0	0	0	0	108.1	S514	S514-C516 PolarHBondContact O-N 2.96Å
517	D	33.8	Very low	42.7	Very low	149 Å²	149	103.5 Å²	103.5	80%	0.797	60%	0.596	S	S	*	*			trans	-42.6	140.7	-172.5	-68.9	-59.8	0	0	0	112.9	P515 E519	P515-D517 PolarHBondContact O-N 3.42Å; P515-D517 VanDerWaalsContact O-N 3.14Å; D517-E519 PolarHBondContact O-N 2.91Å
518	E	48	Very low	42.1	Very low	198 Å²	198	108.2 Å²	108.2	93%	0.925	62%	0.619	S	S	*	*			trans	-54	89.5	167.9	-59.9	-179.2	154.1	0	0	110.8	A520	E518-A520 PolarHBondContact O-N 3.13Å
519	E	28.5	Very low	41.2	Very low	187 Å²	187	111.7 Å²	111.7	87%	0.874	63%	0.633	S	S	*	*			trans	-81.8	95.6	153.5	-80.1	-167.3	168.9	0	0	107.9	D517	D517-E519 PolarHBondContact O-N 2.91Å
520	A	31.6	Very low	40.1	Very low	79 Å²	79	118.1 Å²	118.1	65%	0.653	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-52	133	154.9	0	0	0	0	0	107.8	E518	E518-A520 PolarHBondContact O-N 3.13Å
521	P	34.2	Very low	38.9	Very low	114 Å²	114	127.4 Å²	127.4	74%	0.74	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-57	140.1	173.9	24.3	-31.3	0	0	0	108.3	S523	P521-S523 PolarHBondContact O-N 2.96Å; P521-S523 VanDerWaalsContact O-N 3.1Å
522	P	33.5	Very low	37.7	Very low	123 Å²	123	130.1 Å²	130.1	80%	0.799	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-55.4	125.7	178.3	22.8	-31.2	0	0	0	108.1
523	S	33.3	Very low	36.4	Very low	100 Å²	100	129.2 Å²	129.2	70%	0.699	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-47.2	133.4	169.4	46.9	0	0	0	0	108.4	P521 A525	P521-S523 PolarHBondContact O-N 2.96Å; P521-S523 VanDerWaalsContact O-N 3.1Å; S523-A525 PolarHBondContact O-N 3.36Å; S523-A525 VanDerWaalsContact O-N 3.08Å
524	P	34.6	Very low	35.1	Very low	119 Å²	119	135.9 Å²	135.9	77%	0.773	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-55.7	124.8	173.7	-11.2	22.4	0	0	0	107.1	E526	P524-E526 PolarHBondContact O-N 2.74Å; P524-E526 VanDerWaalsContact O-N 3.08Å
525	A	33.5	Very low	34.7	Very low	89 Å²	89	139 Å²	139	74%	0.736	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-50.5	120.8	170.4	0	0	0	0	0	107.5	S523 D527	S523-A525 PolarHBondContact O-N 3.36Å; S523-A525 VanDerWaalsContact O-N 3.08Å; A525-D527 PolarHBondContact O-N 3.05Å; A525-D527 VanDerWaalsContact O-N 3.1Å
526	E	32.4	Very low	34.4	Very low	186 Å²	186	145.9 Å²	145.9	87%	0.869	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-58.7	116.3	167.5	-70	-176.7	155.3	0	0	106.7	P524 E528	P524-E526 PolarHBondContact O-N 2.74Å; P524-E526 VanDerWaalsContact O-N 3.08Å; E526-E528 VanDerWaalsContact C-N 3.27Å; E526-E528 PolarHBondContact O-N 2.91Å
527	D	34.1	Very low	34.5	Very low	166 Å²	166	147.5 Å²	147.5	89%	0.888	82%	0.82	S	S	*	*			trans	-59.8	92.9	168.5	-84.7	-40	0	0	0	108.2	A525 H529	A525-D527 PolarHBondContact O-N 3.05Å; A525-D527 VanDerWaalsContact O-N 3.1Å; D527-H529 VanDerWaalsContact C-N 3.27Å; D527-H529 PolarHBondContact O-N 3.36Å
528	E	37.8	Very low	34.6	Very low	180 Å²	180	147.4 Å²	147.4	84%	0.841	82%	0.821	S	S	*	*			trans	-63.2	91	156.2	-82	-167.4	152.6	0	0	108	E526	E526-E528 VanDerWaalsContact C-N 3.27Å; E526-E528 PolarHBondContact O-N 2.91Å
529	H	32.7	Very low	33.8	Very low	176 Å²	176	144.6 Å²	144.6	82%	0.815	82%	0.815	S	S	*	*			trans	-170.9	94.4	148.5	-106.8	42.4	0	0	0	112.1	D527	D527-H529 VanDerWaalsContact C-N 3.27Å; D527-H529 PolarHBondContact O-N 3.36Å
530	N	32.8	Very low	34.1	Very low	142 Å²	142	142.1 Å²	142.1	76%	0.759	81%	0.812	S	S	*	*				154.6	96.7	125.4	-100.8	-28.8	0	0	0	111.1
531	Q	33.1	Very low	34.3	Very low	204 Å²	204	146 Å²	146	95%	0.953	82%	0.822	S	S	*	*			trans	-120.4	107	141.8	-80.9	-171	2	0	0	107.5
532	N	37.2	Very low	34.3	Very low	157 Å²	157	148.1 Å²	148.1	84%	0.84	83%	0.827	S	S	*	*			trans	-114.1	121.8	170.5	-133.2	3.4	0	0	0	107.5
533	G	31.2	Very low	34.4	Very low	70 Å²	70	149.9 Å²	149.9	72%	0.722	83%	0.829	S	S	*	*			trans	80.6	135.5	169.8	0	0	0	0	0	114.7
534	N	33.2	Very low	34.4	Very low	144 Å²	144	153.8 Å²	153.8	77%	0.77	84%	0.839	S	S	*	*			cis	-175.7	149.4	35.1	-132.6	-1.9	0	0	0	108.5
535	L	39.1	Very low	34.4	Very low	140 Å²	140	156.7 Å²	156.7	73%	0.733	84%	0.844	S	S	*	*			trans	65.5	127.5	150.1	-56.3	156.4	0	0	0	116.4
536	D	36.3	Very low	34.5	Very low	226 Å²	226	162.8 Å²	162.8	100%	1.209	85%	0.854	S	S	*	*			cis	-147.3	0	21	-85.4	-41.2	0	0	0	110.4

Retrieved 536 of 536 residues in 2740.7 ms (Link to these results)

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