A0A087Y5L1_POEFO Loading...

Cytochrome P450, family 24, subfamily A, polypeptide 1

AlphaFold DB , UniProt , Accession A0A087Y5L1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 515 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.1	Very low	34	Very low	227 Å²	227	160.5 Å²	160.5	100%	1.118	80%	0.802	S	S	*	*				0	108.6	0	-87.1	167	141.7	0	0	106.7
2	R	28.9	Very low	34.3	Very low	242 Å²	242	155.6 Å²	155.6	91%	0.913	79%	0.786	S	S	*	*				60.7	124.5	92.6	-71.7	-176.9	176.7	-178.7	-0.9	109.8
3	A	30.1	Very low	34.4	Very low	91 Å²	91	154.2 Å²	154.2	75%	0.752	78%	0.776	S	S	*	*			cis	-162.5	164.7	13.9	0	0	0	0	0	105.2
4	Q	31.3	Very low	34.3	Very low	188 Å²	188	154.1 Å²	154.1	88%	0.879	78%	0.777	S	S	*	*			cis	-157.7	128.8	45	-81.2	174.9	-30.8	0	0	109.6
5	I	37.6	Very low	34.3	Very low	164 Å²	164	153.7 Å²	153.7	84%	0.841	78%	0.777	S	S	*	*			trans	-82.7	129.7	155	-69.5	159.9	0	0	0	106
6	Q	32.9	Very low	34.5	Very low	175 Å²	175	157.3 Å²	157.3	82%	0.818	78%	0.778	S	S	*	*			trans	178.2	139.9	136.2	-105.1	176.6	4.8	0	0	113.1
7	K	30.7	Very low	34.5	Very low	179 Å²	179	159 Å²	159	78%	0.778	78%	0.78	S	S	*	*			trans	87.8	78.9	165.1	-60.6	-178.7	-177.5	-179.2	0	117.9
8	V	35.1	Very low	34.6	Very low	118 Å²	118	160.7 Å²	160.7	72%	0.715	78%	0.782	S	S	*	*				-137	88.5	128.3	-172	0	0	0	0	110.1
9	P	38.5	Very low	34.3	Very low	92 Å²	92	158.6 Å²	158.6	60%	0.597	79%	0.786	S	S	*	*			trans	-128.3	69.8	149.5	36.4	-24	0	0	0	109.8
10	Q	38.2	Very low	34.2	Very low	164 Å²	164	156.9 Å²	156.9	77%	0.766	78%	0.784	S	S	*	*	S	Bend	trans	-136.2	-7.8	166.5	-75.6	-170.2	-19.9	0	0	114.1
11	I	38.1	Very low	34.1	Very low	125 Å²	125	152.7 Å²	152.7	64%	0.641	78%	0.781	S	S	*	*	H	α-helix	trans	-92.2	-22.6	172.8	-66.1	172.2	0	0	0	111.6
12	V	38.4	Very low	33.9	Very low	102 Å²	102	149.4 Å²	149.4	62%	0.618	77%	0.767	S	S	*	*	H	α-helix	trans	-80	-19.4	178.4	-178.5	0	0	0	0	112.4
13	E	35.3	Very low	33.8	Very low	138 Å²	138	146 Å²	146	65%	0.645	76%	0.761	S	S	*	*	H	α-helix	trans	-93	-22.7	-178.5	-147.3	170.1	-171.7	0	0	113.5	L15 R16	E13-L15 VanDerWaalsContact C-N 3.32Å; E13-R16 PolarHBondContact O-N 2.79Å
14	L	32.6	Very low	33.7	Very low	152 Å²	152	150 Å²	150	80%	0.796	76%	0.764	S	S	*	*	H	α-helix	trans	-74.3	-22.9	173.5	-132.7	91.3	0	0	0	112.9
15	L	34.7	Very low	33.5	Very low	149 Å²	149	150.2 Å²	150.2	78%	0.78	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-7.6	175.7	-68.8	172.7	0	0	0	113.5	E13	E13-L15 VanDerWaalsContact C-N 3.32Å
16	R	36.7	Very low	32.9	Very low	211 Å²	211	151 Å²	151	80%	0.796	76%	0.76	S	S	*	*	S	Bend	trans	-91	-6.3	178.7	-95.6	-175.7	176.7	173.8	-0.2	115.2	E13	E13-R16 PolarHBondContact O-N 2.79Å
17	K	35.4	Very low	32.5	Very low	186 Å²	186	148.4 Å²	148.4	81%	0.809	76%	0.759	S	S	*	*	S	Bend	trans	-115.6	16.3	-174.1	-85.7	-174.8	177.7	177.2	0	116.7
18	K	35.4	Very low	32.2	Very low	189 Å²	189	146.8 Å²	146.8	82%	0.822	76%	0.764	S	S	*	*			trans	-130.3	72.2	164.3	-81.6	-171.6	175.5	-178.8	0	111.3	V20	K18-V20 PolarHBondContact O-N 2.78Å
19	S	29.6	Very low	31.8	Very low	121 Å²	121	145.4 Å²	145.4	85%	0.846	76%	0.759	S	S	*	*			trans	-74.3	81.6	159.5	46.3	0	0	0	0	109
20	V	33	Very low	31.2	Very low	124 Å²	124	146.7 Å²	146.7	75%	0.752	77%	0.77	S	S	*	*			trans	-73.1	118.8	157.8	-180	0	0	0	0	105.8	K18 L22	K18-V20 PolarHBondContact O-N 2.78Å; V20-L22 PolarHBondContact O-N 2.95Å; V20-L22 VanDerWaalsContact O-N 3.07Å
21	G	31.2	Very low	30.5	Very low	70 Å²	70	143.7 Å²	143.7	72%	0.722	76%	0.763	S	S	*	*			trans	-57.7	109.6	-168.3	0	0	0	0	0	113.3	Q23	G21-Q23 PolarHBondContact O-N 3.39Å; G21-Q23 VanDerWaalsContact O-N 3.12Å
22	L	28.2	Very low	30	Very low	157 Å²	157	143.4 Å²	143.4	82%	0.822	77%	0.771	S	S	*	*			trans	-68.7	98.4	164.7	-88.8	147	0	0	0	108.9	V20 H24	V20-L22 PolarHBondContact O-N 2.95Å; V20-L22 VanDerWaalsContact O-N 3.07Å; L22-H24 PolarHBondContact O-N 3.24Å
23	Q	26.6	Very low	29.5	Very low	170 Å²	170	144.1 Å²	144.1	79%	0.794	78%	0.775	S	S	*	*			trans	-58.7	109.2	163.7	-82	179.3	-19.8	0	0	108.9	G21 F25	G21-Q23 PolarHBondContact O-N 3.39Å; G21-Q23 VanDerWaalsContact O-N 3.12Å; Q23-F25 PolarHBondContact O-N 3.12Å
24	H	27.3	Very low	29.2	Very low	175 Å²	175	144.3 Å²	144.3	81%	0.81	78%	0.78	S	S	*	*			trans	-64.7	107.7	167	-83.6	28.5	0	0	0	109.2	L22 K26	L22-H24 PolarHBondContact O-N 3.24Å; H24-K26 PolarHBondContact O-N 2.77Å; H24-K26 VanDerWaalsContact O-N 3.12Å
25	F	27.1	Very low	28.9	Very low	193 Å²	193	144.1 Å²	144.1	85%	0.846	78%	0.775	S	S	*	*			trans	-70.5	103	163.6	-94.3	-91.2	0	0	0	108.8	Q23	Q23-F25 PolarHBondContact O-N 3.12Å
26	K	26.3	Very low	28.9	Very low	181 Å²	181	146.3 Å²	146.3	79%	0.787	78%	0.781	S	S	*	*			trans	-67.2	141.8	167.2	-77.3	180	175.7	177.5	0	109.5	H24 T28	H24-K26 PolarHBondContact O-N 2.77Å; H24-K26 VanDerWaalsContact O-N 3.12Å; K26-T28 PolarHBondContact O-N 3.04Å
27	P	25.1	Very low	28.5	Very low	121 Å²	121	145.6 Å²	145.6	79%	0.786	78%	0.784	S	S	*	*			trans	-67	117.6	169	27.7	-30.9	0	0	0	108.9	S29	P27-S29 VanDerWaalsContact C-N 3.27Å; P27-S29 PolarHBondContact O-N 3.37Å
28	T	24.2	Very low	28.2	Very low	144 Å²	144	142.9 Å²	142.9	88%	0.883	78%	0.778	S	S	*	*			trans	-72.1	83.2	173.8	46	0	0	0	0	109.8	K26	K26-T28 PolarHBondContact O-N 3.04Å
29	S	26.3	Very low	27.9	Very low	89 Å²	89	137.5 Å²	137.5	62%	0.622	77%	0.769	S	S	*	*			trans	-71.4	116.4	149.3	61.9	0	0	0	0	107.2	P27 V31	P27-S29 VanDerWaalsContact C-N 3.27Å; P27-S29 PolarHBondContact O-N 3.37Å; S29-V31 PolarHBondContact O-N 3.07Å
30	S	24.6	Very low	28.5	Very low	119 Å²	119	137.3 Å²	137.3	83%	0.832	76%	0.762	S	S	*	*			trans	-71.6	73	167.2	58.6	0	0	0	0	109.2
31	V	25.5	Very low	28.5	Very low	102 Å²	102	140.4 Å²	140.4	62%	0.618	77%	0.769	S	S	*	*			trans	-82.1	107.6	159.5	176.6	0	0	0	0	104.6	S29 V33	S29-V31 PolarHBondContact O-N 3.07Å; V31-V33 VanDerWaalsContact C-N 3.29Å; V31-V33 HydrophobicContact CG1-CG2 4.11Å; V31-V33 PolarHBondContact O-N 3.49Å
32	C	26.2	Very low	28.6	Very low	118 Å²	118	141.2 Å²	141.2	80%	0.797	77%	0.768	S	S	*	*			trans	-65.8	94.1	168.4	-71	0	0	0	0	108.3
33	V	28	Very low	28.9	Very low	118 Å²	118	138.6 Å²	138.6	72%	0.715	77%	0.77	S	S	*	*			trans	-82.5	105.4	154.3	-179.2	0	0	0	0	104.9	V31 E35	V31-V33 VanDerWaalsContact C-N 3.29Å; V31-V33 HydrophobicContact CG1-CG2 4.11Å; V31-V33 PolarHBondContact O-N 3.49Å; V33-E35 PolarHBondContact O-N 2.95Å
34	L	28.6	Very low	29.1	Very low	141 Å²	141	141.1 Å²	141.1	74%	0.738	77%	0.772	S	S	*	*			trans	-73.1	112.7	169.2	-75.7	164.5	0	0	0	107.1
35	E	27.8	Very low	29.5	Very low	148 Å²	148	137.6 Å²	137.6	69%	0.692	77%	0.766	S	S	*	*			trans	-63.7	136	163.2	-70.4	-171.7	163.6	0	0	108.6	V33 K37 D38	V33-E35 PolarHBondContact O-N 2.95Å; E35-K37 PolarHBondContact O-N 3.47Å; E35-D38 PolarHBondContact O-N 3.08Å
36	E	32.9	Very low	29.7	Very low	195 Å²	195	134 Å²	134	91%	0.911	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	12.1	-168.7	-130.5	172	-172.6	0	0	114.7
37	K	29.1	Very low	30.6	Very low	196 Å²	196	131.2 Å²	131.2	85%	0.852	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.8	-4.7	-178.7	-82.5	-175.2	173.1	-179.9	0	116	E35	E35-K37 PolarHBondContact O-N 3.47Å
38	D	28.8	Very low	31.2	Very low	129 Å²	129	130.2 Å²	130.2	69%	0.69	75%	0.753	S	S	*	*	S	Bend	trans	-105.2	10.7	172.1	-67.2	-28.2	0	0	0	113	E35 V40	E35-D38 PolarHBondContact O-N 3.08Å; D38-V40 PolarHBondContact O-N 3.25Å; D38-V40 VanDerWaalsContact O-N 3.07Å
39	A	30.6	Very low	32.1	Very low	76 Å²	76	127.6 Å²	127.6	63%	0.628	75%	0.746	S	S	*	*			trans	-80.8	33.8	175.7	0	0	0	0	0	113.6
40	V	41.8	Very low	33.1	Very low	117 Å²	117	131 Å²	131	71%	0.709	76%	0.757	S	S	*	*	S	Bend	trans	-126.2	120.9	172.5	-173.8	0	0	0	0	107.5	D38	D38-V40 PolarHBondContact O-N 3.25Å; D38-V40 VanDerWaalsContact O-N 3.07Å
41	E	31.9	Very low	35.4	Very low	189 Å²	189	135.1 Å²	135.1	88%	0.883	76%	0.76	S	S	*	*			trans	86.4	28.4	-177.6	-59.8	-173.2	158.2	0	0	118.9	A43	E41-A43 PolarHBondContact O-N 3.32Å
42	A	34.1	Very low	38	Very low	87 Å²	87	132.4 Å²	132.4	72%	0.719	75%	0.748	S	S	*	*	S	Bend	trans	-68.4	112.9	141.4	0	0	0	0	0	107.4	R44	A42-R44 PolarHBondContact O-N 3.02Å
43	A	34.8	Very low	41.2	Very low	103 Å²	103	133.8 Å²	133.8	85%	0.851	74%	0.736	S	S	*	*			trans	-40	102.7	-178.8	0	0	0	0	0	111.4	E41 C45	E41-A43 PolarHBondContact O-N 3.32Å; A43-C45 PolarHBondContact O-N 3.37Å
44	R	30.5	Very low	44.3	Very low	223 Å²	223	131.4 Å²	131.4	84%	0.842	73%	0.725	S	S	*	*			trans	-62.3	120.7	173.6	-69.2	177.9	177.9	177.9	-0	106.5	A42 P46	A42-R44 PolarHBondContact O-N 3.02Å; R44-P46 WeakPolarHBondContact O-CD 3.4Å; R44-P46 VanDerWaalsContact O-N 3.17Å
45	C	34.5	Very low	47.3	Very low	100 Å²	100	125.9 Å²	125.9	68%	0.676	70%	0.696	S	S	*	*			trans	-52.8	122.3	158.9	-167.9	0	0	0	0	106.6	A43 H47	A43-C45 PolarHBondContact O-N 3.37Å; C45-H47 PolarHBondContact O-N 3.25Å
46	P	33	Very low	50.4	Low	119 Å²	119	124.6 Å²	124.6	77%	0.773	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	9.9	-167.2	-21.4	31.6	0	0	0	116.1	R44	R44-P46 WeakPolarHBondContact O-CD 3.4Å; R44-P46 VanDerWaalsContact O-N 3.17Å
47	H	44.4	Very low	53.3	Low	121 Å²	121	117.4 Å²	117.4	56%	0.56	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	7.6	-169.1	-77.7	70.8	0	0	0	114.8	C45 A49	C45-H47 PolarHBondContact O-N 3.25Å; H47-A49 PolarHBondContact O-N 3.37Å
48	A	37.6	Very low	56.6	Low	100 Å²	100	108.5 Å²	108.5	83%	0.826	63%	0.63	S	S	*	*	S	Bend	trans	-77.7	56.4	177.1	0	0	0	0	0	113.1
49	A	43.2	Very low	59.8	Low	89 Å²	89	104.4 Å²	104.4	74%	0.736	61%	0.61	S	S	*	*	S	Bend	trans	180	81.8	156.2	0	0	0	0	0	110.9	H47	H47-A49 PolarHBondContact O-N 3.37Å
50	L	48	Very low	62.9	Low	162 Å²	162	102.1 Å²	102.1	85%	0.848	59%	0.593	S	S	*	*	S	Bend	trans	-161.5	137.9	157.9	-95.3	138.9	0	0	0	106.5	A52	L50-A52 PolarHBondContact O-N 2.94Å; L50-A52 VanDerWaalsContact O-N 3.09Å
51	K	71.5	Confident	65.3	Low	205 Å²	205	97 Å²	97	89%	0.891	56%	0.563	S	S	*	*			trans	-39.1	118.6	-177.8	-84.2	174	173.3	174.2	0	110.9	R53	K51-R53 PolarHBondContact O-N 3.45Å
52	A	81.9	Confident	68.1	Low	44 Å²	44	91.9 Å²	91.9	36%	0.364	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-50.9	130.6	176.2	0	0	0	0	0	109.2	L50 V404 D407 A409	L50-A52 PolarHBondContact O-N 2.94Å; L50-A52 VanDerWaalsContact O-N 3.09Å; A52-V404 HydrophobicContact CB-CG1 4.29Å; A52-V404 HydrophobicContact CB-CG2 4.29Å; A52-D407 CarbonylContact C-O 3.57Å; A52-D407 WeakPolarHBondContact CA-O 3.49Å; A52-A409 HydrophobicContact CB-CB 3.87Å
53	R	92.7	Very high	70.8	Confident	147 Å²	147	92.3 Å²	92.3	56%	0.555	54%	0.535	S	S	*	.	B	Isolated β-bridge	trans	-68.5	150.4	-176.3	-58.4	-178.7	-176.1	176.7	2.3	109.5	K51 A57 D407 Y408 A409	K51-R53 PolarHBondContact O-N 3.45Å; R53-A57 HydrophobicContact CB-CB 3.77Å; R53-D407 PolarHBondContact N-O 2.99Å; R53-Y408 HydrophobicContact CB-CD1 3.92Å; R53-Y408 HydrophobicContact CB-CE1 4.2Å; R53-Y408 CarbonylContact O-C 3.6Å; R53-Y408 WeakPolarHBondContact O-CA 3.41Å; R53-A409 PolarHBondContact O-N 3.42Å
54	S	93.5	Very high	73.2	Confident	69 Å²	69	93.7 Å²	93.7	48%	0.483	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-68.5	166.8	-179.8	62.9	0	0	0	0	112.1	D56 A57	S54-D56 PolarHBondContact O-N 3.15Å; S54-A57 WeakPolarHBondContact O-CB 3.41Å; S54-A57 PolarHBondContact O-N 3Å
55	L	91.9	Very high	75.9	Confident	25 Å²	25	88.3 Å²	88.3	13%	0.131	51%	0.512	C	S	.	.	G	3₁₀ helix	trans	-53.3	-35.8	173.2	-174.8	70.4	0	0	0	112.8	A57 I58 V107 I410 T414	L55-A57 PolarHBondContact O-N 3.2Å; L55-I58 HydrophobicContact CD1-CD1 3.9Å; L55-I58 WeakPolarHBondContact O-CB 3.47Å; L55-I58 WeakPolarHBondContact O-CG1 3.39Å; L55-I58 PolarHBondContact O-N 3.03Å; L55-V107 HydrophobicContact CD1-CG2 3.78Å; L55-I410 HydrophobicContact CD1-CG2 4.2Å; L55-T414 HydrophobicContact CD1-CG2 4.38Å
56	D	91.8	Very high	78	Confident	120 Å²	120	91.6 Å²	91.6	64%	0.642	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-71	-17.7	179.7	-61.7	-47.4	0	0	0	114.1	S54 I58 R98	S54-D56 PolarHBondContact O-N 3.15Å; D56-I58 VanDerWaalsContact C-N 3.32Å; D56-R98 IonicContact OD1-CZ 3.84Å; D56-R98 IonicContact OD1-NH1 3.01Å; D56-R98 PolarHBondContact OD1-NH1 3.3Å; D56-R98 IonicContact OD1-NH2 3.25Å; D56-R98 PolarHBondContact OD1-NH2 3.35Å
57	A	94.9	Very high	80.5	Confident	44 Å²	44	88.6 Å²	88.6	36%	0.364	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-82.9	-8.5	175.9	0	0	0	0	0	113.2	R53 S54 L55 Y408	R53-A57 HydrophobicContact CB-CB 3.77Å; S54-A57 WeakPolarHBondContact O-CB 3.41Å; S54-A57 PolarHBondContact O-N 3Å; L55-A57 PolarHBondContact O-N 3.2Å; A57-Y408 HydrophobicContact CB-CE1 4.26Å; A57-Y408 WeakPolarHBondContact O-CE1 3.24Å
58	I	96.4	Very high	82.5	Confident	10 Å²	10	82.9 Å²	82.9	5%	0.051	48%	0.475	C	S	.	.	S	Bend	trans	-67.9	128.2	177.1	-61.5	-178.8	0	0	0	108.6	L55 D56 I96 R98 V107 Y408 I410	L55-I58 HydrophobicContact CD1-CD1 3.9Å; L55-I58 WeakPolarHBondContact O-CB 3.47Å; L55-I58 WeakPolarHBondContact O-CG1 3.39Å; L55-I58 PolarHBondContact O-N 3.03Å; D56-I58 VanDerWaalsContact C-N 3.32Å; I58-I96 HydrophobicContact CD1-CD1 4.33Å; I58-I96 HydrophobicContact CG2-CG1 4.23Å; I58-R98 HydrophobicContact CB-CB 4.02Å; I58-R98 HydrophobicContact CG2-CB 3.74Å; I58-V107 HydrophobicContact CD1-CG1 4.12Å; I58-V107 HydrophobicContact CD1-CG2 4.06Å; I58-Y408 HydrophobicContact CB-CD1 4.4Å; I58-Y408 HydrophobicContact CB-CE1 4.37Å; I58-Y408 HydrophobicContact CD1-CD1 4.38Å; I58-Y408 HydrophobicContact CD1-CG 4.15Å; I58-Y408 HydrophobicContact CG1-CD1 3.39Å; I58-Y408 HydrophobicContact CG1-CD2 4.19Å; I58-Y408 HydrophobicContact CG1-CE1 3.82Å; I58-Y408 HydrophobicContact CG1-CG 3.59Å; I58-I410 HydrophobicContact CD1-CG1 4.49Å
59	P	96.6	Very high	85	Confident	43 Å²	43	78.2 Å²	78.2	28%	0.279	44%	0.436	S	S	.	.			trans	-65.1	158.4	179.1	29.7	-36.9	0	0	0	111.2	F93 F97 R98 Y408	P59-F93 HydrophobicContact CB-CB 4.14Å; P59-F93 HydrophobicContact CB-CD1 4.1Å; P59-F93 HydrophobicContact CB-CG 4.48Å; P59-F93 HydrophobicContact CG-CB 4.19Å; P59-F97 CarbonylContact O-C 3.57Å; P59-F97 WeakPolarHBondContact O-CA 3.41Å; P59-F97 VanDerWaalsContact O-CB 3.27Å; P59-F97 WeakPolarHBondContact O-CB 3.24Å; P59-R98 PolarHBondContact O-N 3.3Å; P59-Y408 WeakPolarHBondContact CD-OH 3.21Å
60	G	95.5	Very high	87	Confident	27 Å²	27	76.7 Å²	76.7	28%	0.278	42%	0.415	S	S	.	.			trans	-176.1	169.3	178.2	0	0	0	0	0	113.7	F93 R98	G60-F93 VanDerWaalsContact O-CE1 3.27Å; G60-F93 WeakPolarHBondContact O-CE1 3.49Å; G60-F93 VanDerWaalsContact O-CZ 3.3Å; G60-F93 WeakPolarHBondContact O-CZ 3.42Å; G60-R98 WeakPolarHBondContact CA-O 3.46Å
61	P	93.4	Very high	88.9	Confident	10 Å²	10	71.6 Å²	71.6	7%	0.065	39%	0.391	C	S	.	.	S	Bend	trans	-58.8	162.1	171.4	23.2	-32	0	0	0	112.2	N63 S69 E72 Y89 F93 R98 T99	P61-N63 PolarHBondContact O-N 3.15Å; P61-S69 WeakPolarHBondContact CG-OG 3.47Å; P61-E72 WeakPolarHBondContact CB-OE2 3.5Å; P61-Y89 HydrophobicContact CB-CE1 4Å; P61-Y89 HydrophobicContact CB-CE2 4.47Å; P61-Y89 HydrophobicContact CG-CD2 4.36Å; P61-Y89 HydrophobicContact CG-CE1 4.35Å; P61-Y89 HydrophobicContact CG-CE2 4.05Å; P61-F93 HydrophobicContact CB-CE2 4.19Å; P61-F93 HydrophobicContact CB-CZ 4.38Å; P61-F93 HydrophobicContact CG-CE2 4.44Å; P61-F93 VanDerWaalsContact N-CZ 3.35Å; P61-R98 WeakPolarHBondContact CD-O 3.47Å; P61-T99 HydrophobicContact CG-CG2 3.78Å
62	T	90.6	Very high	89.7	Confident	82 Å²	82	63.5 Å²	63.5	50%	0.503	36%	0.356	S	S	.	.			trans	-59.2	129.8	-176	-57.4	0	0	0	0	110.5	W64 S69 E72	T62-W64 HydrophobicContact CG2-CD2 4.5Å; T62-W64 HydrophobicContact CG2-CG 4.43Å; T62-W64 PolarHBondContact O-N 3.31Å; T62-S69 WeakPolarHBondContact O-CA 3.38Å; T62-S69 PolarHBondContact O-OG 3.28Å; T62-E72 PolarHBondContact N-OE2 2.85Å
63	N	89.1	Confident	90	Very high	95 Å²	95	61.7 Å²	61.7	51%	0.508	34%	0.34	S	S	.	.			trans	-95	87.5	178.1	-174.9	16.1	0	0	0	109.4	P61 G68	P61-N63 PolarHBondContact O-N 3.15Å; N63-G68 VanDerWaalsContact OD1-CA 3.26Å; N63-G68 WeakPolarHBondContact OD1-CA 3.35Å
64	W	86.8	Confident	89.9	Confident	132 Å²	132	59.9 Å²	59.9	50%	0.5	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-68.2	146.9	177.9	-66.6	84.5	0	0	0	111.3	T62 L66 V67 G68	T62-W64 HydrophobicContact CG2-CD2 4.5Å; T62-W64 HydrophobicContact CG2-CG 4.43Å; T62-W64 PolarHBondContact O-N 3.31Å; W64-L66 PolarHBondContact O-N 3.43Å; W64-V67 HydrophobicContact CB-CG2 3.89Å; W64-G68 WeakPolarHBondContact CB-O 3.41Å; W64-G68 PolarHBondContact N-O 2.89Å; W64-G68 VanDerWaalsContact O-CA 3.31Å; W64-G68 WeakPolarHBondContact O-CA 3.29Å; W64-G68 PolarHBondContact O-N 2.75Å
65	P	85.9	Confident	89.7	Confident	110 Å²	110	63.7 Å²	63.7	71%	0.714	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	134.6	176.5	-26.2	34.6	0	0	0	111.9	V67	P65-V67 PolarHBondContact O-N 3.12Å
66	L	79.9	Confident	89.6	Confident	169 Å²	169	66 Å²	66	89%	0.885	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	-40.4	179.8	-57.5	168.8	0	0	0	117	W64	W64-L66 PolarHBondContact O-N 3.43Å
67	V	84.1	Confident	89.5	Confident	56 Å²	56	62.2 Å²	62.2	34%	0.339	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-14.3	-172.4	-63.2	0	0	0	0	113.7	W64 P65 L70 V71 G102	W64-V67 HydrophobicContact CB-CG2 3.89Å; P65-V67 PolarHBondContact O-N 3.12Å; V67-L70 HydrophobicContact CB-CB 4.41Å; V67-L70 WeakPolarHBondContact O-CB 3.45Å; V67-L70 PolarHBondContact O-N 3.13Å; V67-V71 HydrophobicContact CG2-CG2 3.59Å; V67-G102 PolarHBondContact O-N 3.11Å; V67-G102 VanDerWaalsContact O-N 3.11Å
68	G	87.8	Confident	89.3	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.01	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	59.5	-133.9	-178	0	0	0	0	0	112.5	N63 W64 L70 K100	N63-G68 VanDerWaalsContact OD1-CA 3.26Å; N63-G68 WeakPolarHBondContact OD1-CA 3.35Å; W64-G68 WeakPolarHBondContact CB-O 3.41Å; W64-G68 PolarHBondContact N-O 2.89Å; W64-G68 VanDerWaalsContact O-CA 3.31Å; W64-G68 WeakPolarHBondContact O-CA 3.29Å; W64-G68 PolarHBondContact O-N 2.75Å; G68-L70 PolarHBondContact O-N 3.48Å; G68-K100 CarbonylContact C-O 3.56Å; G68-K100 WeakPolarHBondContact CA-O 3.31Å
69	S	89.2	Confident	88.9	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.014	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	6.5	-179.3	-44	0	0	0	0	113.4	P61 T62 V71 E72 L73 K100	P61-S69 WeakPolarHBondContact CG-OG 3.47Å; T62-S69 WeakPolarHBondContact O-CA 3.38Å; T62-S69 PolarHBondContact O-OG 3.28Å; S69-V71 VanDerWaalsContact C-N 3.27Å; S69-V71 PolarHBondContact O-N 3.34Å; S69-E72 PolarHBondContact O-N 2.73Å; S69-L73 PolarHBondContact O-N 2.85Å; S69-K100 PolarHBondContact N-O 3.11Å
70	L	85.9	Confident	88.6	Confident	57 Å²	57	66.9 Å²	66.9	30%	0.298	37%	0.371	S	S	.	.	H	α-helix	trans	-61.5	-35.7	179.8	-175.9	61.5	0	0	0	111.9	V67 G68 L73 L74 L101	V67-L70 HydrophobicContact CB-CB 4.41Å; V67-L70 WeakPolarHBondContact O-CB 3.45Å; V67-L70 PolarHBondContact O-N 3.13Å; G68-L70 PolarHBondContact O-N 3.48Å; L70-L73 HydrophobicContact CD1-CD2 4.39Å; L70-L73 PolarHBondContact O-N 2.75Å; L70-L74 HydrophobicContact CD1-CG 4.44Å; L70-L74 HydrophobicContact CG-CD1 4.18Å; L70-L74 HydrophobicContact CG-CG 4.41Å; L70-L74 WeakPolarHBondContact O-CB 3.43Å; L70-L74 VanDerWaalsContact O-CG 3.25Å; L70-L74 WeakPolarHBondContact O-CG 3.1Å; L70-L74 PolarHBondContact O-N 2.63Å; L70-L101 HydrophobicContact CB-CD2 4.34Å
71	V	86.9	Confident	88.5	Confident	56 Å²	56	70.3 Å²	70.3	34%	0.339	38%	0.375	S	S	.	.	H	α-helix	trans	-62.7	-47.8	177.3	-180	0	0	0	0	110.8	V67 S69 L73 L74 L75	V67-V71 HydrophobicContact CG2-CG2 3.59Å; S69-V71 VanDerWaalsContact C-N 3.27Å; S69-V71 PolarHBondContact O-N 3.34Å; V71-L73 VanDerWaalsContact C-N 3.31Å; V71-L73 PolarHBondContact O-N 3.43Å; V71-L74 PolarHBondContact O-N 3.04Å; V71-L75 HydrophobicContact CG1-CD1 4.34Å; V71-L75 WeakPolarHBondContact O-CG 3.43Å; V71-L75 PolarHBondContact O-N 3.22Å
72	E	89.1	Confident	88.5	Confident	34 Å²	34	71 Å²	71	16%	0.159	38%	0.378	C	S	.	.	H	α-helix	trans	-63.5	-38.8	177.9	-167.8	174.4	169.9	0	0	111.3	P61 T62 S69 L75 K76 Y89	P61-E72 WeakPolarHBondContact CB-OE2 3.5Å; T62-E72 PolarHBondContact N-OE2 2.85Å; S69-E72 PolarHBondContact O-N 2.73Å; E72-L75 PolarHBondContact O-N 2.85Å; E72-K76 PolarHBondContact O-N 3.36Å; E72-K76 VanDerWaalsContact O-N 3.12Å; E72-Y89 HydrophobicContact CG-CE1 4.46Å; E72-Y89 WeakPolarHBondContact CG-OH 3.22Å; E72-Y89 WeakPolarHBondContact OE1-CE1 3.47Å
73	L	89	Confident	88.6	Confident	6 Å²	6	67.3 Å²	67.3	3%	0.031	36%	0.355	C	S	.	.	H	α-helix	trans	-62.9	-43.9	174.2	-177.6	62.3	0	0	0	112.1	S69 L70 V71 K76 G77 G78 L79 Q82 A85 L101	S69-L73 PolarHBondContact O-N 2.85Å; L70-L73 HydrophobicContact CD1-CD2 4.39Å; L70-L73 PolarHBondContact O-N 2.75Å; V71-L73 VanDerWaalsContact C-N 3.31Å; V71-L73 PolarHBondContact O-N 3.43Å; L73-K76 CarbonylContact O-C 3.52Å; L73-K76 PolarHBondContact O-N 2.87Å; L73-K76 VanDerWaalsContact O-N 3.15Å; L73-G77 PolarHBondContact O-N 2.8Å; L73-G78 WeakPolarHBondContact O-CA 3.43Å; L73-G78 PolarHBondContact O-N 3.04Å; L73-L79 HydrophobicContact CD2-CD2 3.99Å; L73-Q82 HydrophobicContact CD1-CB 4.18Å; L73-Q82 HydrophobicContact CD1-CG 4.16Å; L73-A85 HydrophobicContact CD1-CB 3.92Å; L73-L101 HydrophobicContact CD2-CD1 4.23Å; L73-L101 HydrophobicContact CD2-CD2 4.12Å
74	L	89.7	Confident	88.9	Confident	110 Å²	110	65.3 Å²	65.3	58%	0.576	34%	0.342	S	S	*	.	H	α-helix	trans	-62.8	-41.6	177.2	-72.3	171.1	0	0	0	111.6	L70 V71 K76 G77 G78	L70-L74 HydrophobicContact CD1-CG 4.44Å; L70-L74 HydrophobicContact CG-CD1 4.18Å; L70-L74 HydrophobicContact CG-CG 4.41Å; L70-L74 WeakPolarHBondContact O-CB 3.43Å; L70-L74 VanDerWaalsContact O-CG 3.25Å; L70-L74 WeakPolarHBondContact O-CG 3.1Å; L70-L74 PolarHBondContact O-N 2.63Å; V71-L74 PolarHBondContact O-N 3.04Å; L74-K76 PolarHBondContact O-N 2.83Å; L74-G77 PolarHBondContact O-N 3.38Å; L74-G77 VanDerWaalsContact O-N 3.1Å; L74-G78 PolarHBondContact O-N 2.96Å
75	L	89.9	Confident	89.3	Confident	149 Å²	149	59.1 Å²	59.1	78%	0.78	32%	0.319	S	S	*	.	H	α-helix	trans	-63.3	-27.1	174.7	-68.4	173.1	0	0	0	113	V71 E72 G77	V71-L75 HydrophobicContact CG1-CD1 4.34Å; V71-L75 WeakPolarHBondContact O-CG 3.43Å; V71-L75 PolarHBondContact O-N 3.22Å; E72-L75 PolarHBondContact O-N 2.85Å; L75-G77 VanDerWaalsContact C-N 3.31Å
76	K	89.9	Confident	89.7	Confident	73 Å²	73	54.3 Å²	54.3	32%	0.317	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	12.7	175.2	-74.1	-178.9	167.6	-73	0	114.2	E72 L73 L74 R81 A85 D88 Y89	E72-K76 PolarHBondContact O-N 3.36Å; E72-K76 VanDerWaalsContact O-N 3.12Å; L73-K76 CarbonylContact O-C 3.52Å; L73-K76 PolarHBondContact O-N 2.87Å; L73-K76 VanDerWaalsContact O-N 3.15Å; L74-K76 PolarHBondContact O-N 2.83Å; K76-R81 WeakPolarHBondContact O-CB 3.16Å; K76-A85 HydrophobicContact CB-CB 4.29Å; K76-A85 HydrophobicContact CD-CB 3.82Å; K76-D88 IonicContact NZ-OD2 2.79Å; K76-D88 PolarHBondContact NZ-OD2 3.05Å; K76-Y89 HydrophobicContact CD-CE1 4.49Å
77	G	89.1	Confident	90.4	Very high	40 Å²	40	47.5 Å²	47.5	41%	0.412	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.3	12.3	179.4	0	0	0	0	0	114.8	L73 L74 L75	L73-G77 PolarHBondContact O-N 2.8Å; L74-G77 PolarHBondContact O-N 3.38Å; L74-G77 VanDerWaalsContact O-N 3.1Å; L75-G77 VanDerWaalsContact C-N 3.31Å
78	G	89.6	Confident	90.9	Very high	9 Å²	9	47.9 Å²	47.9	9%	0.093	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	-159.1	173	0	0	0	0	0	114.2	L73 L74 I80 R81 Q82	L73-G78 WeakPolarHBondContact O-CA 3.43Å; L73-G78 PolarHBondContact O-N 3.04Å; L74-G78 PolarHBondContact O-N 2.96Å; G78-I80 PolarHBondContact O-N 2.85Å; G78-R81 PolarHBondContact O-N 2.76Å; G78-Q82 PolarHBondContact O-N 3.45Å
79	L	87.9	Confident	91.3	Very high	91 Å²	91	48.2 Å²	48.2	48%	0.476	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-61.2	-29.9	-178.4	-68.8	172.3	0	0	0	112.6	L73 R81 Q82	L73-L79 HydrophobicContact CD2-CD2 3.99Å; L79-R81 VanDerWaalsContact C-N 3.27Å; L79-R81 PolarHBondContact O-N 3Å; L79-Q82 VanDerWaalsContact O-CB 3.3Å; L79-Q82 WeakPolarHBondContact O-CB 3.44Å; L79-Q82 PolarHBondContact O-N 3.15Å
80	I	90.6	Very high	91.6	Very high	96 Å²	96	49.1 Å²	49.1	49%	0.492	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-60.7	-36.7	178.7	-63.5	176.9	0	0	0	111.1	G78 I497 H498	G78-I80 PolarHBondContact O-N 2.85Å; I80-I497 HydrophobicContact CG2-CB 3.69Å; I80-I497 HydrophobicContact CG2-CG2 3.63Å; I80-H498 WeakPolarHBondContact O-CB 3.16Å; I80-H498 PolarHBondContact O-N 3.49Å
81	R	93.6	Very high	92	Very high	98 Å²	98	54.1 Å²	54.1	37%	0.37	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-108	21.1	179	-57.8	-167.9	79.7	-174.6	3.1	113.2	K76 G78 L79 H83 E84 A85	K76-R81 WeakPolarHBondContact O-CB 3.16Å; G78-R81 PolarHBondContact O-N 2.76Å; L79-R81 VanDerWaalsContact C-N 3.27Å; L79-R81 PolarHBondContact O-N 3Å; R81-H83 PolarHBondContact O-N 3.19Å; R81-E84 IonicContact CZ-OE1 3.34Å; R81-E84 VanDerWaalsContact CZ-OE1 3.23Å; R81-E84 IonicContact CZ-OE2 2.6Å; R81-E84 VanDerWaalsContact NE-CD 3.31Å; R81-E84 IonicContact NE-OE1 2.84Å; R81-E84 PolarHBondContact NE-OE1 3.21Å; R81-E84 IonicContact NE-OE2 2.68Å; R81-E84 PolarHBondContact NE-OE2 3.19Å; R81-E84 VanDerWaalsContact NE-OE2 3.17Å; R81-E84 IonicContact NH2-OE1 2.92Å; R81-E84 PolarHBondContact NH2-OE1 2.78Å; R81-E84 IonicContact NH2-OE2 3.33Å; R81-E84 PolarHBondContact NH2-OE2 2.8Å; R81-E84 PolarHBondContact O-N 2.83Å; R81-E84 VanDerWaalsContact O-N 3.13Å; R81-A85 PolarHBondContact O-N 3.29Å
82	Q	93.5	Very high	92.4	Very high	24 Å²	24	58.1 Å²	58.1	11%	0.112	29%	0.289	C	S	.	.	H	α-helix	trans	-55.9	-39.9	-177.9	-177.2	-179.3	28.3	0	0	112.6	L73 G78 L79 E84 A85 L86	L73-Q82 HydrophobicContact CD1-CB 4.18Å; L73-Q82 HydrophobicContact CD1-CG 4.16Å; G78-Q82 PolarHBondContact O-N 3.45Å; L79-Q82 VanDerWaalsContact O-CB 3.3Å; L79-Q82 WeakPolarHBondContact O-CB 3.44Å; L79-Q82 PolarHBondContact O-N 3.15Å; Q82-E84 VanDerWaalsContact C-N 3.29Å; Q82-E84 PolarHBondContact O-N 2.63Å; Q82-A85 PolarHBondContact O-N 3.19Å; Q82-L86 HydrophobicContact CG-CD1 4.15Å; Q82-L86 HydrophobicContact CG-CG 4.26Å; Q82-L86 VanDerWaalsContact O-CG 3.29Å; Q82-L86 WeakPolarHBondContact O-CG 2.97Å; Q82-L86 PolarHBondContact O-N 3.21Å
83	H	93.8	Very high	92.8	Very high	5 Å²	5	58.5 Å²	58.5	2%	0.023	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-35.5	-178.9	61.3	-82.2	0	0	0	113	R81 I87 P393 H421 V496 L502	R81-H83 PolarHBondContact O-N 3.19Å; H83-I87 WeakPolarHBondContact O-CG1 3.39Å; H83-I87 PolarHBondContact O-N 3.36Å; H83-P393 HydrophobicContact CB-CB 4.11Å; H83-H421 AromaticContact CD2-CE1 3.71Å; H83-H421 AromaticContact CD2-ND1 3.67Å; H83-V496 PolarHBondContact CE1-O 2.78Å; H83-V496 PolarHBondContact NE2-O 3.27Å; H83-L502 HydrophobicContact CB-CD1 4.47Å; H83-L502 HydrophobicContact CB-CD2 3.95Å
84	E	94.5	Very high	93	Very high	53 Å²	53	59.7 Å²	59.7	25%	0.248	30%	0.304	C	S	.	.	H	α-helix	trans	-71.3	-44	174.1	-59.4	179.3	-156.5	0	0	111.4	R81 Q82 L86 I87 D88	R81-E84 IonicContact CZ-OE1 3.34Å; R81-E84 VanDerWaalsContact CZ-OE1 3.23Å; R81-E84 IonicContact CZ-OE2 2.6Å; R81-E84 VanDerWaalsContact NE-CD 3.31Å; R81-E84 IonicContact NE-OE1 2.84Å; R81-E84 PolarHBondContact NE-OE1 3.21Å; R81-E84 IonicContact NE-OE2 2.68Å; R81-E84 PolarHBondContact NE-OE2 3.19Å; R81-E84 VanDerWaalsContact NE-OE2 3.17Å; R81-E84 IonicContact NH2-OE1 2.92Å; R81-E84 PolarHBondContact NH2-OE1 2.78Å; R81-E84 IonicContact NH2-OE2 3.33Å; R81-E84 PolarHBondContact NH2-OE2 2.8Å; R81-E84 PolarHBondContact O-N 2.83Å; R81-E84 VanDerWaalsContact O-N 3.13Å; Q82-E84 VanDerWaalsContact C-N 3.29Å; Q82-E84 PolarHBondContact O-N 2.63Å; E84-L86 PolarHBondContact O-N 3.01Å; E84-I87 WeakPolarHBondContact O-CB 3.14Å; E84-I87 PolarHBondContact O-N 2.97Å; E84-D88 PolarHBondContact O-N 3.06Å
85	A	94.6	Very high	93.3	Very high	2 Å²	2	58.7 Å²	58.7	2%	0.017	30%	0.295	C	S	.	.	H	α-helix	trans	-58.1	-38.5	176.5	0	0	0	0	0	111.7	L73 K76 R81 Q82 D88 Y89	L73-A85 HydrophobicContact CD1-CB 3.92Å; K76-A85 HydrophobicContact CB-CB 4.29Å; K76-A85 HydrophobicContact CD-CB 3.82Å; R81-A85 PolarHBondContact O-N 3.29Å; Q82-A85 PolarHBondContact O-N 3.19Å; A85-D88 PolarHBondContact O-N 3.11Å; A85-Y89 HydrophobicContact CB-CE2 4.32Å; A85-Y89 WeakPolarHBondContact O-CB 3.13Å; A85-Y89 VanDerWaalsContact O-CD2 3.27Å; A85-Y89 WeakPolarHBondContact O-CD2 3.26Å; A85-Y89 PolarHBondContact O-N 3.26Å
86	L	95.2	Very high	93.7	Very high	9 Å²	9	52.1 Å²	52.1	5%	0.047	26%	0.261	C	S	.	.	H	α-helix	trans	-66.5	-34.7	175.9	-66.4	175.3	0	0	0	112.9	Q82 E84 Y89 H90 F97 H108 F394	Q82-L86 HydrophobicContact CG-CD1 4.15Å; Q82-L86 HydrophobicContact CG-CG 4.26Å; Q82-L86 VanDerWaalsContact O-CG 3.29Å; Q82-L86 WeakPolarHBondContact O-CG 2.97Å; Q82-L86 PolarHBondContact O-N 3.21Å; E84-L86 PolarHBondContact O-N 3.01Å; L86-Y89 HydrophobicContact CD2-CD2 4.43Å; L86-H90 PolarHBondContact O-CD2 3.38Å; L86-H90 VanDerWaalsContact O-CD2 3.32Å; L86-H90 PolarHBondContact O-N 2.98Å; L86-F97 HydrophobicContact CD2-CE2 4.31Å; L86-F97 HydrophobicContact CD2-CZ 3.8Å; L86-H108 VanDerWaalsContact CD2-CE1 3.45Å; L86-H108 WeakPolarHBondContact CD2-CE1 3.05Å; L86-F394 HydrophobicContact CD1-CD1 3.68Å; L86-F394 HydrophobicContact CD1-CE1 3.93Å
87	I	94.8	Very high	94	Very high	26 Å²	26	48.7 Å²	48.7	13%	0.133	25%	0.246	C	C	.	.	H	α-helix	trans	-65.3	-47.9	172.8	-68.5	167.5	0	0	0	109.8	H83 E84 Y89 H90 K91 A422	H83-I87 WeakPolarHBondContact O-CG1 3.39Å; H83-I87 PolarHBondContact O-N 3.36Å; E84-I87 WeakPolarHBondContact O-CB 3.14Å; E84-I87 PolarHBondContact O-N 2.97Å; I87-Y89 VanDerWaalsContact C-N 3.3Å; I87-Y89 PolarHBondContact O-N 2.83Å; I87-H90 PolarHBondContact O-N 2.75Å; I87-K91 HydrophobicContact CG2-CD 4.38Å; I87-K91 WeakPolarHBondContact O-CG 3.11Å; I87-K91 PolarHBondContact O-N 2.94Å; I87-A422 HydrophobicContact CG1-CB 3.97Å
88	D	94.8	Very high	94.3	Very high	64 Å²	64	49.1 Å²	49.1	34%	0.342	24%	0.235	S	C	.	.	H	α-helix	trans	-59.8	-41.1	177.5	-74.6	-10.5	0	0	0	112	K76 E84 A85 K91 K92	K76-D88 IonicContact NZ-OD2 2.79Å; K76-D88 PolarHBondContact NZ-OD2 3.05Å; E84-D88 PolarHBondContact O-N 3.06Å; A85-D88 PolarHBondContact O-N 3.11Å; D88-K91 WeakPolarHBondContact O-CB 3.36Å; D88-K91 PolarHBondContact O-N 3.41Å; D88-K92 WeakPolarHBondContact O-CB 3.12Å; D88-K92 PolarHBondContact O-N 2.9Å
89	Y	95.9	Very high	94.6	Very high	8 Å²	8	49 Å²	49	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-65.3	-38.7	176.4	-66.5	-23.1	0	0	0	112.3	P61 E72 K76 A85 L86 I87 K91 K92 F93 F97	P61-Y89 HydrophobicContact CB-CE1 4Å; P61-Y89 HydrophobicContact CB-CE2 4.47Å; P61-Y89 HydrophobicContact CG-CD2 4.36Å; P61-Y89 HydrophobicContact CG-CE1 4.35Å; P61-Y89 HydrophobicContact CG-CE2 4.05Å; E72-Y89 HydrophobicContact CG-CE1 4.46Å; E72-Y89 WeakPolarHBondContact CG-OH 3.22Å; E72-Y89 WeakPolarHBondContact OE1-CE1 3.47Å; K76-Y89 HydrophobicContact CD-CE1 4.49Å; A85-Y89 HydrophobicContact CB-CE2 4.32Å; A85-Y89 WeakPolarHBondContact O-CB 3.13Å; A85-Y89 VanDerWaalsContact O-CD2 3.27Å; A85-Y89 WeakPolarHBondContact O-CD2 3.26Å; A85-Y89 PolarHBondContact O-N 3.26Å; L86-Y89 HydrophobicContact CD2-CD2 4.43Å; I87-Y89 VanDerWaalsContact C-N 3.3Å; I87-Y89 PolarHBondContact O-N 2.83Å; Y89-K91 VanDerWaalsContact C-N 3.34Å; Y89-K92 PolarHBondContact O-N 3.36Å; Y89-F93 HydrophobicContact CD1-CD2 4.3Å; Y89-F93 AromaticContact CD1-CE2 3.76Å; Y89-F93 HydrophobicContact CD1-CE2 3.76Å; Y89-F93 HydrophobicContact CE1-CE2 4.46Å; Y89-F93 HydrophobicContact CG-CD2 4.38Å; Y89-F93 HydrophobicContact CG-CE2 4.22Å; Y89-F93 WeakPolarHBondContact O-CB 3.45Å; Y89-F93 WeakPolarHBondContact O-CD2 3.32Å; Y89-F93 PolarHBondContact O-N 3.5Å; Y89-F97 VanDerWaalsContact CB-CZ 3.44Å; Y89-F97 AromaticContact CD2-CE2 3.73Å; Y89-F97 HydrophobicContact CD2-CE2 3.73Å; Y89-F97 AromaticContact CD2-CZ 3.96Å; Y89-F97 HydrophobicContact CD2-CZ 3.96Å; Y89-F97 HydrophobicContact CG-CE2 4.11Å; Y89-F97 HydrophobicContact CG-CZ 4.21Å
90	H	96.1	Very high	94.7	Very high	22 Å²	22	48.1 Å²	48.1	10%	0.102	23%	0.225	C	C	.	.	H	α-helix	trans	-65.1	-37.3	172.4	-85.5	-54.3	0	0	0	112.7	L86 I87 K92 G94 F97 G110 N419	L86-H90 PolarHBondContact O-CD2 3.38Å; L86-H90 VanDerWaalsContact O-CD2 3.32Å; L86-H90 PolarHBondContact O-N 2.98Å; I87-H90 PolarHBondContact O-N 2.75Å; H90-K92 VanDerWaalsContact C-N 3.33Å; H90-G94 WeakPolarHBondContact CA-O 3.43Å; H90-G94 PolarHBondContact ND1-O 2.99Å; H90-G94 CarbonylContact O-C 3.46Å; H90-G94 WeakPolarHBondContact O-CA 3.31Å; H90-G94 PolarHBondContact O-N 2.91Å; H90-F97 AromaticContact CD2-CE1 3.66Å; H90-F97 AromaticContact CE1-CD1 3.62Å; H90-F97 AromaticContact CE1-CE1 3.41Å; H90-F97 VanDerWaalsContact CE1-CE1 3.41Å; H90-F97 WeakPolarHBondContact CE1-CE1 3.41Å; H90-F97 AromaticContact CG-CE1 3.75Å; H90-F97 AromaticContact ND1-CD1 3.67Å; H90-F97 AromaticContact ND1-CE1 3.62Å; H90-F97 AromaticContact NE2-CE1 3.46Å; H90-F97 WeakPolarHBondContact NE2-CE1 3.25Å; H90-G110 VanDerWaalsContact CE1-CA 3.4Å; H90-G110 WeakPolarHBondContact CE1-CA 3.34Å; H90-G110 PolarHBondContact CE1-N 2.99Å; H90-N419 PolarHBondContact CD2-ND2 3.05Å; H90-N419 PolarHBondContact NE2-ND2 3.02Å
91	K	94.3	Very high	94.5	Very high	162 Å²	162	45.4 Å²	45.4	70%	0.704	21%	0.211	S	C	*	.	H	α-helix	trans	-64.2	-38.3	173.5	-69.6	175.2	-179.8	174.5	0	112.1	I87 D88 Y89	I87-K91 HydrophobicContact CG2-CD 4.38Å; I87-K91 WeakPolarHBondContact O-CG 3.11Å; I87-K91 PolarHBondContact O-N 2.94Å; D88-K91 WeakPolarHBondContact O-CB 3.36Å; D88-K91 PolarHBondContact O-N 3.41Å; Y89-K91 VanDerWaalsContact C-N 3.34Å
92	K	95.6	Very high	94	Very high	140 Å²	140	41.7 Å²	41.7	61%	0.609	20%	0.203	S	C	*	.	H	α-helix	trans	-82.1	-43.9	-175.7	-175.5	174.9	175.3	-177.5	0	113.9	D88 Y89 H90	D88-K92 WeakPolarHBondContact O-CB 3.12Å; D88-K92 PolarHBondContact O-N 2.9Å; Y89-K92 PolarHBondContact O-N 3.36Å; H90-K92 VanDerWaalsContact C-N 3.33Å
93	F	95.9	Very high	93.3	Very high	42 Å²	42	46.4 Å²	46.4	18%	0.184	24%	0.239	C	C	.	.	H	α-helix	trans	-107.1	-8.8	-171.7	-56.1	-63.3	0	0	0	113.1	P59 G60 P61 Y89 F97	P59-F93 HydrophobicContact CB-CB 4.14Å; P59-F93 HydrophobicContact CB-CD1 4.1Å; P59-F93 HydrophobicContact CB-CG 4.48Å; P59-F93 HydrophobicContact CG-CB 4.19Å; G60-F93 VanDerWaalsContact O-CE1 3.27Å; G60-F93 WeakPolarHBondContact O-CE1 3.49Å; G60-F93 VanDerWaalsContact O-CZ 3.3Å; G60-F93 WeakPolarHBondContact O-CZ 3.42Å; P61-F93 HydrophobicContact CB-CE2 4.19Å; P61-F93 HydrophobicContact CB-CZ 4.38Å; P61-F93 HydrophobicContact CG-CE2 4.44Å; P61-F93 VanDerWaalsContact N-CZ 3.35Å; Y89-F93 HydrophobicContact CD1-CD2 4.3Å; Y89-F93 AromaticContact CD1-CE2 3.76Å; Y89-F93 HydrophobicContact CD1-CE2 3.76Å; Y89-F93 HydrophobicContact CE1-CE2 4.46Å; Y89-F93 HydrophobicContact CG-CD2 4.38Å; Y89-F93 HydrophobicContact CG-CE2 4.22Å; Y89-F93 WeakPolarHBondContact O-CB 3.45Å; Y89-F93 WeakPolarHBondContact O-CD2 3.32Å; Y89-F93 PolarHBondContact O-N 3.5Å; F93-F97 HydrophobicContact CB-CB 3.71Å; F93-F97 HydrophobicContact CB-CG 4.46Å; F93-F97 HydrophobicContact CD2-CB 4.36Å; F93-F97 HydrophobicContact CG-CB 4.32Å
94	G	94.6	Very high	93	Very high	31 Å²	31	49.4 Å²	49.4	32%	0.32	25%	0.252	S	S	.	.			trans	91.5	-153.6	175.1	0	0	0	0	0	114.2	H90 I96	H90-G94 WeakPolarHBondContact CA-O 3.43Å; H90-G94 PolarHBondContact ND1-O 2.99Å; H90-G94 CarbonylContact O-C 3.46Å; H90-G94 WeakPolarHBondContact O-CA 3.31Å; H90-G94 PolarHBondContact O-N 2.91Å; G94-I96 PolarHBondContact O-N 3.5Å
95	K	95.4	Very high	92.9	Very high	88 Å²	88	49.6 Å²	49.6	38%	0.383	25%	0.253	S	S	.	.	S	Bend	trans	-65	-24.6	-168.6	-64	-174.6	176.6	-172	0	114	G110 A111 L114 E428	K95-G110 PolarHBondContact O-N 3.48Å; K95-A111 HydrophobicContact CB-CB 3.64Å; K95-A111 HydrophobicContact CD-CB 3.74Å; K95-A111 HydrophobicContact CG-CB 3.7Å; K95-L114 HydrophobicContact CB-CD1 3.9Å; K95-E428 WeakPolarHBondContact CE-OE1 3.42Å; K95-E428 WeakPolarHBondContact CE-OE2 3.46Å; K95-E428 IonicContact NZ-OE1 2.71Å; K95-E428 PolarHBondContact NZ-OE1 2.85Å; K95-E428 IonicContact NZ-OE2 3.44Å
96	I	97.1	Very high	92.9	Very high	12 Å²	12	49.6 Å²	49.6	6%	0.062	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	136	-179.8	-175.4	164.3	0	0	0	110	I58 G94 V107 H108 L114 Y408 I410	I58-I96 HydrophobicContact CD1-CD1 4.33Å; I58-I96 HydrophobicContact CG2-CG1 4.23Å; G94-I96 PolarHBondContact O-N 3.5Å; I96-V107 HydrophobicContact CD1-CG1 3.69Å; I96-V107 HydrophobicContact CG1-CG1 3.62Å; I96-H108 VanDerWaalsContact CA-O 3.31Å; I96-H108 WeakPolarHBondContact CA-O 3.44Å; I96-L114 HydrophobicContact CB-CD1 3.86Å; I96-L114 HydrophobicContact CG2-CD1 4.33Å; I96-Y408 HydrophobicContact CD1-CD2 4.34Å; I96-Y408 HydrophobicContact CG2-CD2 3.96Å; I96-Y408 HydrophobicContact CG2-CE2 3.63Å; I96-I410 HydrophobicContact CD1-CD1 4.21Å
97	F	97.3	Very high	93	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	159.3	172.8	68.6	-90.9	0	0	0	111.4	P59 L86 Y89 H90 F93 T99 V107 H108	P59-F97 CarbonylContact O-C 3.57Å; P59-F97 WeakPolarHBondContact O-CA 3.41Å; P59-F97 VanDerWaalsContact O-CB 3.27Å; P59-F97 WeakPolarHBondContact O-CB 3.24Å; L86-F97 HydrophobicContact CD2-CE2 4.31Å; L86-F97 HydrophobicContact CD2-CZ 3.8Å; Y89-F97 VanDerWaalsContact CB-CZ 3.44Å; Y89-F97 AromaticContact CD2-CE2 3.73Å; Y89-F97 HydrophobicContact CD2-CE2 3.73Å; Y89-F97 AromaticContact CD2-CZ 3.96Å; Y89-F97 HydrophobicContact CD2-CZ 3.96Å; Y89-F97 HydrophobicContact CG-CE2 4.11Å; Y89-F97 HydrophobicContact CG-CZ 4.21Å; H90-F97 AromaticContact CD2-CE1 3.66Å; H90-F97 AromaticContact CE1-CD1 3.62Å; H90-F97 AromaticContact CE1-CE1 3.41Å; H90-F97 VanDerWaalsContact CE1-CE1 3.41Å; H90-F97 WeakPolarHBondContact CE1-CE1 3.41Å; H90-F97 AromaticContact CG-CE1 3.75Å; H90-F97 AromaticContact ND1-CD1 3.67Å; H90-F97 AromaticContact ND1-CE1 3.62Å; H90-F97 AromaticContact NE2-CE1 3.46Å; H90-F97 WeakPolarHBondContact NE2-CE1 3.25Å; F93-F97 HydrophobicContact CB-CB 3.71Å; F93-F97 HydrophobicContact CB-CG 4.46Å; F93-F97 HydrophobicContact CD2-CB 4.36Å; F93-F97 HydrophobicContact CG-CB 4.32Å; F97-T99 HydrophobicContact CD2-CG2 3.56Å; F97-T99 HydrophobicContact CE2-CG2 3.3Å; F97-V107 CarbonylContact O-C 3.58Å; F97-V107 WeakPolarHBondContact O-CA 3.39Å; F97-H108 HydrophobicContact CD1-CB 3.82Å; F97-H108 HydrophobicContact CD2-CB 4.08Å; F97-H108 AromaticContact CD2-CD2 3.92Å; F97-H108 HydrophobicContact CE1-CB 3.47Å; F97-H108 VanDerWaalsContact CE1-CB 3.47Å; F97-H108 HydrophobicContact CE2-CB 3.74Å; F97-H108 AromaticContact CE2-CD2 3.4Å; F97-H108 WeakPolarHBondContact CE2-CD2 3.35Å; F97-H108 AromaticContact CE2-CG 3.57Å; F97-H108 HydrophobicContact CG-CB 4.12Å; F97-H108 HydrophobicContact CZ-CB 3.41Å; F97-H108 VanDerWaalsContact CZ-CB 3.41Å; F97-H108 AromaticContact CZ-CD2 3.83Å; F97-H108 AromaticContact CZ-CG 3.49Å; F97-H108 VanDerWaalsContact CZ-CG 3.49Å; F97-H108 PolarHBondContact N-O 2.91Å; F97-H108 VanDerWaalsContact N-O 3.16Å; F97-H108 PolarHBondContact O-N 3.35Å
98	R	96.3	Very high	93.2	Very high	50 Å²	50	48.2 Å²	48.2	19%	0.189	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	138.2	-179.7	-179.9	-178.5	174.5	-158	6.8	109.7	D56 I58 P59 G60 P61 E105 V107	D56-R98 IonicContact OD1-CZ 3.84Å; D56-R98 IonicContact OD1-NH1 3.01Å; D56-R98 PolarHBondContact OD1-NH1 3.3Å; D56-R98 IonicContact OD1-NH2 3.25Å; D56-R98 PolarHBondContact OD1-NH2 3.35Å; I58-R98 HydrophobicContact CB-CB 4.02Å; I58-R98 HydrophobicContact CG2-CB 3.74Å; P59-R98 PolarHBondContact O-N 3.3Å; G60-R98 WeakPolarHBondContact CA-O 3.46Å; P61-R98 WeakPolarHBondContact CD-O 3.47Å; R98-E105 IonicContact CZ-OE1 3.2Å; R98-E105 IonicContact NE-OE1 2.71Å; R98-E105 PolarHBondContact NE-OE1 3.02Å; R98-E105 IonicContact NH2-OE1 2.74Å; R98-E105 PolarHBondContact NH2-OE1 3.05Å; R98-E105 IonicContact NH2-OE2 2.67Å; R98-E105 PolarHBondContact NH2-OE2 3.48Å; R98-V107 HydrophobicContact CG-CG2 4.5Å
99	T	94.3	Very high	93.2	Very high	7 Å²	7	45.1 Å²	45.1	4%	0.043	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	154.2	172.2	67.2	0	0	0	0	111.3	P61 F97 S106 H108	P61-T99 HydrophobicContact CG-CG2 3.78Å; F97-T99 HydrophobicContact CD2-CG2 3.56Å; F97-T99 HydrophobicContact CE2-CG2 3.3Å; T99-S106 PolarHBondContact N-O 3.3Å; T99-S106 PolarHBondContact O-N 3.48Å; T99-S106 PolarHBondContact OG1-OG 3.12Å; T99-H108 PolarHBondContact OG1-CD2 3.17Å; T99-H108 PolarHBondContact OG1-NE2 3.27Å
100	K	90.6	Very high	93.2	Very high	72 Å²	72	45.2 Å²	45.2	31%	0.313	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	118.7	170.6	-170.9	169.5	-176	168.8	0	108.6	G68 S69 G102 F104	G68-K100 CarbonylContact C-O 3.56Å; G68-K100 WeakPolarHBondContact CA-O 3.31Å; S69-K100 PolarHBondContact N-O 3.11Å; K100-G102 VanDerWaalsContact CE-O 3.23Å; K100-G102 WeakPolarHBondContact CE-O 3.46Å; K100-G102 WeakPolarHBondContact CG-O 3.35Å; K100-F104 CarbonylContact C-O 3.54Å; K100-F104 WeakPolarHBondContact CA-O 3.39Å
101	L	87	Confident	93.1	Very high	39 Å²	39	44.1 Å²	44.1	20%	0.204	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	96.4	176.1	-61.5	178.7	0	0	0	107.7	L70 L73 S103 F104	L70-L101 HydrophobicContact CB-CD2 4.34Å; L73-L101 HydrophobicContact CD2-CD1 4.23Å; L73-L101 HydrophobicContact CD2-CD2 4.12Å; L101-S103 PolarHBondContact O-N 3.17Å; L101-F104 PolarHBondContact N-O 3.41Å; L101-F104 WeakPolarHBondContact O-CB 3.4Å; L101-F104 PolarHBondContact O-N 3.5Å
102	G	82.4	Confident	93.1	Very high	20 Å²	20	36.6 Å²	36.6	21%	0.206	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	-119.7	-168.9	0	0	0	0	0	111.8	V67 K100	V67-G102 PolarHBondContact O-N 3.11Å; V67-G102 VanDerWaalsContact O-N 3.11Å; K100-G102 VanDerWaalsContact CE-O 3.23Å; K100-G102 WeakPolarHBondContact CE-O 3.46Å; K100-G102 WeakPolarHBondContact CG-O 3.35Å
103	S	79.8	Confident	93.1	Very high	122 Å²	122	33.1 Å²	33.1	85%	0.853	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-13.7	175.3	57.7	0	0	0	0	113.6	L101 E105	L101-S103 PolarHBondContact O-N 3.17Å; S103-E105 PolarHBondContact O-N 2.88Å
104	F	87	Confident	93.1	Very high	68 Å²	68	31.9 Å²	31.9	30%	0.298	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	115.8	-177.6	-179.1	-106	0	0	0	110.4	K100 L101 L129 V415	K100-F104 CarbonylContact C-O 3.54Å; K100-F104 WeakPolarHBondContact CA-O 3.39Å; L101-F104 PolarHBondContact N-O 3.41Å; L101-F104 WeakPolarHBondContact O-CB 3.4Å; L101-F104 PolarHBondContact O-N 3.5Å; F104-L129 HydrophobicContact CE2-CD1 3.66Å; F104-L129 HydrophobicContact CE2-CD2 4Å; F104-L129 HydrophobicContact CE2-CG 4.5Å; F104-L129 HydrophobicContact CZ-CD1 4.31Å; F104-L129 HydrophobicContact CZ-CD2 3.99Å; F104-V415 HydrophobicContact CE2-CB 4.47Å; F104-V415 HydrophobicContact CE2-CG1 4.35Å; F104-V415 HydrophobicContact CE2-CG2 4.34Å; F104-V415 HydrophobicContact CZ-CB 4.41Å; F104-V415 HydrophobicContact CZ-CG1 4Å
105	E	91.1	Very high	93.1	Very high	58 Å²	58	30.4 Å²	30.4	27%	0.271	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.2	178.4	-168.5	-177.6	144.8	0	0	110.5	R98 S103	R98-E105 IonicContact CZ-OE1 3.2Å; R98-E105 IonicContact NE-OE1 2.71Å; R98-E105 PolarHBondContact NE-OE1 3.02Å; R98-E105 IonicContact NH2-OE1 2.74Å; R98-E105 PolarHBondContact NH2-OE1 3.05Å; R98-E105 IonicContact NH2-OE2 2.67Å; R98-E105 PolarHBondContact NH2-OE2 3.48Å; S103-E105 PolarHBondContact O-N 2.88Å
106	S	95.4	Very high	93.1	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.014	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	154.4	179.4	70.3	0	0	0	0	113.5	T99 H108 V415	T99-S106 PolarHBondContact N-O 3.3Å; T99-S106 PolarHBondContact O-N 3.48Å; T99-S106 PolarHBondContact OG1-OG 3.12Å; S106-H108 PolarHBondContact OG-NE2 3.24Å; S106-V415 CarbonylContact C-O 3.48Å; S106-V415 VanDerWaalsContact CA-O 3.24Å; S106-V415 WeakPolarHBondContact CA-O 3.45Å; S106-V415 WeakPolarHBondContact CB-O 3.32Å
107	V	97.8	Very high	93	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123	174.5	175.6	0	0	0	0	109	L55 I58 I96 F97 R98 I410 T414 V415 L416 M417	L55-V107 HydrophobicContact CD1-CG2 3.78Å; I58-V107 HydrophobicContact CD1-CG1 4.12Å; I58-V107 HydrophobicContact CD1-CG2 4.06Å; I96-V107 HydrophobicContact CD1-CG1 3.69Å; I96-V107 HydrophobicContact CG1-CG1 3.62Å; F97-V107 CarbonylContact O-C 3.58Å; F97-V107 WeakPolarHBondContact O-CA 3.39Å; R98-V107 HydrophobicContact CG-CG2 4.5Å; V107-I410 HydrophobicContact CG1-CD1 4.32Å; V107-T414 HydrophobicContact CB-CG2 4.4Å; V107-T414 HydrophobicContact CG2-CG2 3.79Å; V107-V415 PolarHBondContact N-O 2.9Å; V107-L416 HydrophobicContact CB-CD2 3.78Å; V107-L416 HydrophobicContact CG1-CD2 4.13Å; V107-L416 CarbonylContact O-C 3.58Å; V107-L416 VanDerWaalsContact O-CA 3.22Å; V107-L416 WeakPolarHBondContact O-CA 3.42Å; V107-M417 PolarHBondContact O-N 3.36Å
108	H	97.8	Very high	92.8	Very high	5 Å²	5	30.1 Å²	30.1	2%	0.023	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	136.2	-176.5	-67.3	-95	0	0	0	111.5	L86 I96 F97 T99 S106 M417 N419	L86-H108 VanDerWaalsContact CD2-CE1 3.45Å; L86-H108 WeakPolarHBondContact CD2-CE1 3.05Å; I96-H108 VanDerWaalsContact CA-O 3.31Å; I96-H108 WeakPolarHBondContact CA-O 3.44Å; F97-H108 HydrophobicContact CD1-CB 3.82Å; F97-H108 HydrophobicContact CD2-CB 4.08Å; F97-H108 AromaticContact CD2-CD2 3.92Å; F97-H108 HydrophobicContact CE1-CB 3.47Å; F97-H108 VanDerWaalsContact CE1-CB 3.47Å; F97-H108 HydrophobicContact CE2-CB 3.74Å; F97-H108 AromaticContact CE2-CD2 3.4Å; F97-H108 WeakPolarHBondContact CE2-CD2 3.35Å; F97-H108 AromaticContact CE2-CG 3.57Å; F97-H108 HydrophobicContact CG-CB 4.12Å; F97-H108 HydrophobicContact CZ-CB 3.41Å; F97-H108 VanDerWaalsContact CZ-CB 3.41Å; F97-H108 AromaticContact CZ-CD2 3.83Å; F97-H108 AromaticContact CZ-CG 3.49Å; F97-H108 VanDerWaalsContact CZ-CG 3.49Å; F97-H108 PolarHBondContact N-O 2.91Å; F97-H108 VanDerWaalsContact N-O 3.16Å; F97-H108 PolarHBondContact O-N 3.35Å; T99-H108 PolarHBondContact OG1-CD2 3.17Å; T99-H108 PolarHBondContact OG1-NE2 3.27Å; S106-H108 PolarHBondContact OG-NE2 3.24Å; H108-M417 CarbonylContact C-O 3.45Å; H108-M417 WeakPolarHBondContact CA-O 3.42Å; H108-M417 WeakPolarHBondContact ND1-CB 3.14Å; H108-N419 WeakPolarHBondContact CB-ND2 3.35Å; H108-N419 PolarHBondContact ND1-ND2 3.38Å; H108-N419 PolarHBondContact ND1-OD1 3.45Å
109	I	96.6	Very high	92.5	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.1	-179.1	-58.1	172.8	0	0	0	109	L114 L115 L118 L405 L416 M417 N419	I109-L114 HydrophobicContact CG2-CB 3.59Å; I109-L114 HydrophobicContact CG2-CD1 4.21Å; I109-L115 HydrophobicContact CB-CD2 4.36Å; I109-L115 HydrophobicContact CG2-CD2 3.76Å; I109-L115 HydrophobicContact CG2-CG 4.1Å; I109-L118 HydrophobicContact CD1-CD2 4.17Å; I109-L405 HydrophobicContact CD1-CD1 3.75Å; I109-L416 HydrophobicContact CD1-CB 4.25Å; I109-L416 HydrophobicContact CD1-CD1 4Å; I109-L416 HydrophobicContact CD1-CD2 4.49Å; I109-L416 HydrophobicContact CD1-CG 4.49Å; I109-M417 PolarHBondContact N-O 2.91Å; I109-N419 PolarHBondContact O-N 3.3Å
110	G	94.1	Very high	92.3	Very high	9 Å²	9	37.8 Å²	37.8	9%	0.093	20%	0.201	C	C	.	.			trans	-136	25.3	-177.5	0	0	0	0	0	113.7	H90 K95 L423	H90-G110 VanDerWaalsContact CE1-CA 3.4Å; H90-G110 WeakPolarHBondContact CE1-CA 3.34Å; H90-G110 PolarHBondContact CE1-N 2.99Å; K95-G110 PolarHBondContact O-N 3.48Å; G110-L423 WeakPolarHBondContact O-CD2 3.31Å
111	A	94.9	Very high	92.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.			trans	-132.6	137	178.4	0	0	0	0	0	113.1	K95 C113 L114 L115	K95-A111 HydrophobicContact CB-CB 3.64Å; K95-A111 HydrophobicContact CD-CB 3.74Å; K95-A111 HydrophobicContact CG-CB 3.7Å; A111-C113 VanDerWaalsContact C-N 3.31Å; A111-C113 PolarHBondContact O-N 3.15Å; A111-L114 HydrophobicContact CB-CD1 4.31Å; A111-L114 HydrophobicContact CB-CG 4.29Å; A111-L114 PolarHBondContact O-N 3Å; A111-L115 PolarHBondContact O-N 2.58Å; A111-L115 VanDerWaalsContact O-N 3.13Å
112	P	95.1	Very high	92.4	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-54.8	-41.8	178.4	-28.1	35.8	0	0	0	113.4	L114 L115 E116 L423 Y429 N449 F451 A452	P112-L114 VanDerWaalsContact C-N 3.35Å; P112-L114 PolarHBondContact O-N 2.87Å; P112-L115 PolarHBondContact O-N 3.01Å; P112-E116 WeakPolarHBondContact O-CB 3.3Å; P112-E116 PolarHBondContact O-N 2.91Å; P112-L423 HydrophobicContact CG-CD2 4.23Å; P112-Y429 HydrophobicContact CG-CD1 3.98Å; P112-Y429 HydrophobicContact CG-CD2 3.94Å; P112-Y429 HydrophobicContact CG-CE1 3.93Å; P112-Y429 HydrophobicContact CG-CE2 3.91Å; P112-Y429 HydrophobicContact CG-CG 4.02Å; P112-N449 HydrophobicContact CB-CB 4.39Å; P112-F451 HydrophobicContact CB-CB 3.83Å; P112-A452 HydrophobicContact CG-CB 3.76Å
113	C	95.1	Very high	92.9	Very high	67 Å²	67	39.2 Å²	39.2	45%	0.453	20%	0.203	S	C	.	.	H	α-helix	trans	-64.4	-36.9	-179.1	59.2	0	0	0	0	113	A111 A117	A111-C113 VanDerWaalsContact C-N 3.31Å; A111-C113 PolarHBondContact O-N 3.15Å; C113-A117 WeakPolarHBondContact O-CB 3.49Å; C113-A117 PolarHBondContact O-N 2.76Å
114	L	95.7	Very high	93.5	Very high	15 Å²	15	38 Å²	38	8%	0.079	19%	0.187	C	C	.	.	H	α-helix	trans	-73	-38.2	177.2	-66.3	-179	0	0	0	111.4	K95 I96 I109 A111 P112 A117 L118	K95-L114 HydrophobicContact CB-CD1 3.9Å; I96-L114 HydrophobicContact CB-CD1 3.86Å; I96-L114 HydrophobicContact CG2-CD1 4.33Å; I109-L114 HydrophobicContact CG2-CB 3.59Å; I109-L114 HydrophobicContact CG2-CD1 4.21Å; A111-L114 HydrophobicContact CB-CD1 4.31Å; A111-L114 HydrophobicContact CB-CG 4.29Å; A111-L114 PolarHBondContact O-N 3Å; P112-L114 VanDerWaalsContact C-N 3.35Å; P112-L114 PolarHBondContact O-N 2.87Å; L114-A117 PolarHBondContact O-N 3.17Å; L114-L118 WeakPolarHBondContact O-CB 3.48Å; L114-L118 PolarHBondContact O-N 2.98Å
115	L	95.1	Very high	93.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.2	-48.2	172.1	-68	-176.9	0	0	0	110.8	I109 A111 P112 A117 L118 Y119 I418 L423 F451 V454	I109-L115 HydrophobicContact CB-CD2 4.36Å; I109-L115 HydrophobicContact CG2-CD2 3.76Å; I109-L115 HydrophobicContact CG2-CG 4.1Å; A111-L115 PolarHBondContact O-N 2.58Å; A111-L115 VanDerWaalsContact O-N 3.13Å; P112-L115 PolarHBondContact O-N 3.01Å; L115-A117 VanDerWaalsContact C-N 3.31Å; L115-A117 PolarHBondContact O-N 3.09Å; L115-L118 WeakPolarHBondContact O-CB 3.34Å; L115-L118 PolarHBondContact O-N 3.13Å; L115-L118 VanDerWaalsContact O-N 3.12Å; L115-Y119 HydrophobicContact CB-CD2 4.21Å; L115-Y119 HydrophobicContact CB-CE2 4.34Å; L115-Y119 HydrophobicContact CD2-CE2 4.16Å; L115-Y119 WeakPolarHBondContact O-CB 3.2Å; L115-Y119 WeakPolarHBondContact O-CD2 3.24Å; L115-Y119 PolarHBondContact O-N 3.18Å; L115-I418 HydrophobicContact CD1-CG2 4.12Å; L115-I418 HydrophobicContact CD2-CB 4.22Å; L115-I418 HydrophobicContact CD2-CD1 4.19Å; L115-I418 HydrophobicContact CD2-CG1 3.73Å; L115-I418 HydrophobicContact CD2-CG2 3.59Å; L115-L423 HydrophobicContact CD1-CD1 3.41Å; L115-L423 VanDerWaalsContact CD1-CD1 3.41Å; L115-L423 HydrophobicContact CD1-CD2 4.38Å; L115-L423 HydrophobicContact CG-CD1 4.48Å; L115-F451 HydrophobicContact CB-CB 4.34Å; L115-F451 HydrophobicContact CB-CD1 4.11Å; L115-F451 WeakPolarHBondContact CD1-O 3.3Å; L115-V454 HydrophobicContact CD1-CG2 4.29Å
116	E	94.9	Very high	94.1	Very high	53 Å²	53	36.3 Å²	36.3	25%	0.248	18%	0.177	C	C	.	.	H	α-helix	trans	-56.3	-46.2	177	-179.2	167.3	-157.8	0	0	112	P112 L118 Y119 R120 F451	P112-E116 WeakPolarHBondContact O-CB 3.3Å; P112-E116 PolarHBondContact O-N 2.91Å; E116-L118 VanDerWaalsContact C-N 3.33Å; E116-L118 PolarHBondContact O-N 3Å; E116-Y119 PolarHBondContact O-N 2.99Å; E116-R120 HydrophobicContact CG-CG 4.31Å; E116-R120 WeakPolarHBondContact O-CB 3.11Å; E116-R120 VanDerWaalsContact O-CG 3.27Å; E116-R120 WeakPolarHBondContact O-CG 3.43Å; E116-R120 PolarHBondContact O-N 2.99Å; E116-R120 IonicContact OE1-CZ 3.56Å; E116-R120 VanDerWaalsContact OE1-CZ 3.24Å; E116-R120 IonicContact OE1-NE 2.79Å; E116-R120 PolarHBondContact OE1-NE 3.26Å; E116-R120 VanDerWaalsContact OE1-NE 3.07Å; E116-R120 IonicContact OE1-NH2 3.87Å; E116-R120 PolarHBondContact OE1-NH2 3.12Å; E116-F451 HydrophobicContact CB-CD1 4.21Å; E116-F451 HydrophobicContact CB-CD2 3.83Å; E116-F451 HydrophobicContact CB-CE1 4.13Å; E116-F451 HydrophobicContact CB-CE2 3.74Å; E116-F451 HydrophobicContact CB-CG 4.08Å; E116-F451 HydrophobicContact CB-CZ 3.9Å; E116-F451 HydrophobicContact CG-CD2 4.22Å; E116-F451 HydrophobicContact CG-CE2 3.66Å; E116-F451 HydrophobicContact CG-CZ 3.84Å
117	A	94.1	Very high	94.1	Very high	32 Å²	32	39.8 Å²	39.8	26%	0.264	19%	0.193	S	C	.	.	H	α-helix	trans	-60.5	-40.6	176.3	0	0	0	0	0	112.8	C113 L114 L115 L405	C113-A117 WeakPolarHBondContact O-CB 3.49Å; C113-A117 PolarHBondContact O-N 2.76Å; L114-A117 PolarHBondContact O-N 3.17Å; L115-A117 VanDerWaalsContact C-N 3.31Å; L115-A117 PolarHBondContact O-N 3.09Å; A117-L405 HydrophobicContact CB-CD2 4.11Å
118	L	93.6	Very high	94	Very high	9 Å²	9	43 Å²	43	5%	0.047	21%	0.205	C	C	.	.	H	α-helix	trans	-63.9	-50.3	175.5	174.1	63.2	0	0	0	111.2	I109 L114 L115 E116 K121 E122 R397 L399 L405 L416 I418	I109-L118 HydrophobicContact CD1-CD2 4.17Å; L114-L118 WeakPolarHBondContact O-CB 3.48Å; L114-L118 PolarHBondContact O-N 2.98Å; L115-L118 WeakPolarHBondContact O-CB 3.34Å; L115-L118 PolarHBondContact O-N 3.13Å; L115-L118 VanDerWaalsContact O-N 3.12Å; E116-L118 VanDerWaalsContact C-N 3.33Å; E116-L118 PolarHBondContact O-N 3Å; L118-K121 CarbonylContact O-C 3.55Å; L118-K121 PolarHBondContact O-N 2.98Å; L118-K121 VanDerWaalsContact O-N 3.16Å; L118-E122 PolarHBondContact O-N 3.34Å; L118-E122 VanDerWaalsContact O-N 3.08Å; L118-R397 HydrophobicContact CD2-CG 4.44Å; L118-L399 HydrophobicContact CD1-CD2 3.94Å; L118-L405 HydrophobicContact CB-CD1 4.42Å; L118-L405 HydrophobicContact CB-CD2 4.02Å; L118-L405 HydrophobicContact CD1-CD1 4.37Å; L118-L416 HydrophobicContact CD1-CD1 3.61Å; L118-L416 HydrophobicContact CD2-CD1 3.88Å; L118-L416 HydrophobicContact CG-CD1 4.38Å; L118-I418 HydrophobicContact CD2-CD1 4.27Å
119	Y	91	Very high	93.7	Very high	26 Å²	26	45.8 Å²	45.8	10%	0.102	22%	0.22	C	C	.	.	H	α-helix	trans	-72.4	-32.8	-172.6	-78.9	-69.8	0	0	0	113.5	L115 E116 K121 E122 R397 I418 F451 I458	L115-Y119 HydrophobicContact CB-CD2 4.21Å; L115-Y119 HydrophobicContact CB-CE2 4.34Å; L115-Y119 HydrophobicContact CD2-CE2 4.16Å; L115-Y119 WeakPolarHBondContact O-CB 3.2Å; L115-Y119 WeakPolarHBondContact O-CD2 3.24Å; L115-Y119 PolarHBondContact O-N 3.18Å; E116-Y119 PolarHBondContact O-N 2.99Å; Y119-K121 PolarHBondContact O-N 3.42Å; Y119-E122 WeakPolarHBondContact CE1-OE1 3.22Å; Y119-E122 WeakPolarHBondContact O-CB 3.38Å; Y119-E122 PolarHBondContact O-N 3.2Å; Y119-R397 PolarHBondContact OH-NH2 3.23Å; Y119-I418 HydrophobicContact CE2-CD1 4.15Å; Y119-I418 WeakPolarHBondContact OH-CD1 3.42Å; Y119-F451 HydrophobicContact CD2-CE1 4.34Å; Y119-I458 HydrophobicContact CD1-CG2 3.88Å; Y119-I458 HydrophobicContact CD2-CG2 3.29Å; Y119-I458 HydrophobicContact CE1-CG2 3.55Å; Y119-I458 WeakPolarHBondContact CE1-O 3.32Å; Y119-I458 HydrophobicContact CE2-CB 4.43Å; Y119-I458 HydrophobicContact CE2-CG2 2.95Å; Y119-I458 HydrophobicContact CG-CG2 3.76Å; Y119-I458 WeakPolarHBondContact OH-CG2 3.31Å; Y119-I458 PolarHBondContact OH-O 3.25Å
120	R	90.4	Very high	93.4	Very high	193 Å²	193	49.2 Å²	49.2	73%	0.728	24%	0.236	S	C	*	.	H	α-helix	trans	-63	-24.8	171.9	-74.1	179	178.4	-138.9	5.6	112.8	E116	E116-R120 HydrophobicContact CG-CG 4.31Å; E116-R120 WeakPolarHBondContact O-CB 3.11Å; E116-R120 VanDerWaalsContact O-CG 3.27Å; E116-R120 WeakPolarHBondContact O-CG 3.43Å; E116-R120 PolarHBondContact O-N 2.99Å; E116-R120 IonicContact OE1-CZ 3.56Å; E116-R120 VanDerWaalsContact OE1-CZ 3.24Å; E116-R120 IonicContact OE1-NE 2.79Å; E116-R120 PolarHBondContact OE1-NE 3.26Å; E116-R120 VanDerWaalsContact OE1-NE 3.07Å; E116-R120 IonicContact OE1-NH2 3.87Å; E116-R120 PolarHBondContact OE1-NH2 3.12Å
121	K	89.3	Confident	93.3	Very high	104 Å²	104	50.7 Å²	50.7	45%	0.452	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	3.4	-180	-62.9	178.3	-174.2	175.2	0	113.3	L118 Y119 K401 T403	L118-K121 CarbonylContact O-C 3.55Å; L118-K121 PolarHBondContact O-N 2.98Å; L118-K121 VanDerWaalsContact O-N 3.16Å; Y119-K121 PolarHBondContact O-N 3.42Å; K121-K401 WeakPolarHBondContact O-CE 3.36Å; K121-K401 PolarHBondContact O-NZ 2.95Å; K121-T403 HydrophobicContact CD-CG2 4.4Å
122	E	90.4	Very high	93.2	Very high	36 Å²	36	55.3 Å²	55.3	17%	0.168	26%	0.262	C	S	.	.			trans	-59.2	144.1	-173.9	-165.4	-177.7	-140.5	0	0	111.2	L118 Y119 P126 R397 K460	L118-E122 PolarHBondContact O-N 3.34Å; L118-E122 VanDerWaalsContact O-N 3.08Å; Y119-E122 WeakPolarHBondContact CE1-OE1 3.22Å; Y119-E122 WeakPolarHBondContact O-CB 3.38Å; Y119-E122 PolarHBondContact O-N 3.2Å; E122-P126 HydrophobicContact CG-CB 3.83Å; E122-P126 HydrophobicContact CG-CG 3.68Å; E122-P126 WeakPolarHBondContact OE1-CB 3.41Å; E122-P126 WeakPolarHBondContact OE1-CG 3.32Å; E122-R397 IonicContact OE1-CZ 3.19Å; E122-R397 IonicContact OE1-NE 2.95Å; E122-R397 PolarHBondContact OE1-NE 2.9Å; E122-R397 IonicContact OE1-NH2 3.92Å; E122-R397 PolarHBondContact OE1-NH2 3.36Å; E122-K460 PolarHBondContact OE2-N 3.18Å
123	S	91.6	Very high	93.2	Very high	21 Å²	21	55.1 Å²	55.1	15%	0.147	26%	0.26	C	S	.	.			trans	-58.5	161.5	174.4	-162.2	0	0	0	0	112.9	Y125 D400	S123-Y125 PolarHBondContact O-N 2.94Å; S123-Y125 PolarHBondContact OG-N 2.96Å; S123-D400 WeakPolarHBondContact CB-OD2 3.49Å; S123-D400 PolarHBondContact OG-OD2 3.03Å
124	N	93.1	Very high	93.3	Very high	95 Å²	95	52.6 Å²	52.6	51%	0.508	24%	0.241	S	C	.	.	S	Bend	trans	-65	-23	163.8	-73.1	-33.6	0	0	0	112.5	K460	N124-K460 PolarHBondContact OD1-NZ 2.85Å
125	Y	95.6	Very high	93.3	Very high	87 Å²	87	53.1 Å²	53.1	34%	0.341	24%	0.243	S	C	.	.	S	Bend	trans	-128.3	72.9	-178.4	-41.9	-70.7	0	0	0	109.4	S123 Q127 G152 K153 Q156	S123-Y125 PolarHBondContact O-N 2.94Å; S123-Y125 PolarHBondContact OG-N 2.96Å; Y125-Q127 PolarHBondContact O-N 2.92Å; Y125-G152 WeakPolarHBondContact CD1-O 3.31Å; Y125-K153 HydrophobicContact CE1-CG 4.17Å; Y125-K153 HydrophobicContact CE2-CG 4.47Å; Y125-Q156 HydrophobicContact CD1-CB 3.73Å; Y125-Q156 HydrophobicContact CD1-CG 4.39Å; Y125-Q156 HydrophobicContact CE1-CB 3.67Å; Y125-Q156 HydrophobicContact CE1-CG 4.03Å
126	P	95.4	Very high	93.4	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.026	25%	0.246	C	C	.	.			trans	-63.2	133.2	-176.3	-12.2	25.4	0	0	0	109.9	E122 K460 R461	E122-P126 HydrophobicContact CG-CB 3.83Å; E122-P126 HydrophobicContact CG-CG 3.68Å; E122-P126 WeakPolarHBondContact OE1-CB 3.41Å; E122-P126 WeakPolarHBondContact OE1-CG 3.32Å; P126-K460 HydrophobicContact CG-CB 4.25Å; P126-R461 HydrophobicContact CB-CB 4.14Å; P126-R461 HydrophobicContact CG-CB 4.15Å; P126-R461 WeakPolarHBondContact O-CD 3.49Å; P126-R461 PolarHBondContact O-NH1 3.15Å
127	Q	95.4	Very high	93.5	Very high	75 Å²	75	51.1 Å²	51.1	35%	0.35	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-102.4	143.3	179.5	176.5	167.7	-17.9	0	0	110.8	Y125 E151 R397 T398	Y125-Q127 PolarHBondContact O-N 2.92Å; Q127-E151 WeakPolarHBondContact CA-OE2 3.46Å; Q127-E151 WeakPolarHBondContact CB-OE2 3.49Å; Q127-E151 VanDerWaalsContact CG-OE2 3.31Å; Q127-E151 WeakPolarHBondContact CG-OE2 3.45Å; Q127-R397 CarbonylContact O-C 3.53Å; Q127-R397 VanDerWaalsContact O-CA 3.26Å; Q127-R397 WeakPolarHBondContact O-CA 3.28Å; Q127-T398 PolarHBondContact O-N 2.97Å
128	R	94.8	Very high	93.7	Very high	68 Å²	68	49.6 Å²	49.6	26%	0.257	22%	0.222	S	C	.	.			trans	-103.6	174.8	169.9	-63.1	-166.8	178.3	-154.6	-2.6	110.2	E130 T395 R461	R128-E130 PolarHBondContact O-N 3.16Å; R128-T395 VanDerWaalsContact CZ-OG1 3.23Å; R128-T395 PolarHBondContact NH1-OG1 3.24Å; R128-R461 PolarHBondContact NH2-O 3.15Å
129	L	91.8	Very high	93.8	Very high	64 Å²	64	54 Å²	54	34%	0.335	25%	0.246	S	C	.	.			trans	-55.7	129.6	167.7	-176.8	62	0	0	0	109.8	F104 M254 S396 V415	F104-L129 HydrophobicContact CE2-CD1 3.66Å; F104-L129 HydrophobicContact CE2-CD2 4Å; F104-L129 HydrophobicContact CE2-CG 4.5Å; F104-L129 HydrophobicContact CZ-CD1 4.31Å; F104-L129 HydrophobicContact CZ-CD2 3.99Å; L129-M254 HydrophobicContact CD2-CE 4.5Å; L129-S396 WeakPolarHBondContact CB-OG 3.18Å; L129-S396 PolarHBondContact N-OG 3.36Å; L129-V415 HydrophobicContact CD1-CG2 4.36Å
130	E	89.8	Confident	94.1	Very high	71 Å²	71	56.9 Å²	56.9	33%	0.332	26%	0.263	S	S	.	.			trans	-71.7	133.4	-176.3	-179.1	173.6	-129.2	0	0	112	R128 K132 K135	R128-E130 PolarHBondContact O-N 3.16Å; E130-K132 HydrophobicContact CG-CG 4Å; E130-K132 PolarHBondContact O-N 3.21Å; E130-K135 HydrophobicContact CG-CD 4.11Å; E130-K135 WeakPolarHBondContact OE1-CD 3.41Å; E130-K135 WeakPolarHBondContact OE1-CE 3.42Å; E130-K135 IonicContact OE1-NZ 3.99Å; E130-K135 PolarHBondContact OE1-NZ 2.84Å
131	I	92.3	Very high	94.4	Very high	41 Å²	41	52.6 Å²	52.6	21%	0.21	25%	0.247	C	C	.	.			trans	-95.9	79.2	174	-48.3	172.4	0	0	0	108.6	P133 W134 K135 I149 F250 M254	I131-P133 VanDerWaalsContact C-CD 3.49Å; I131-W134 HydrophobicContact CB-CB 4.48Å; I131-W134 HydrophobicContact CB-CD2 4.45Å; I131-W134 HydrophobicContact CB-CG 4.35Å; I131-W134 HydrophobicContact CD1-CD2 4.37Å; I131-W134 HydrophobicContact CD1-CE3 4.11Å; I131-W134 HydrophobicContact CD1-CZ3 4.19Å; I131-W134 HydrophobicContact CG2-CB 4.02Å; I131-W134 HydrophobicContact CG2-CD2 3.73Å; I131-W134 HydrophobicContact CG2-CE3 4.43Å; I131-W134 HydrophobicContact CG2-CG 3.51Å; I131-W134 PolarHBondContact O-N 2.85Å; I131-K135 PolarHBondContact O-N 3.32Å; I131-I149 HydrophobicContact CB-CG2 4Å; I131-I149 HydrophobicContact CD1-CG2 4.2Å; I131-I149 HydrophobicContact CG1-CG2 4.4Å; I131-F250 HydrophobicContact CG2-CD2 4.44Å; I131-M254 HydrophobicContact CG2-SD 4.26Å
132	K	92.8	Very high	94.7	Very high	97 Å²	97	53.2 Å²	53.2	42%	0.422	26%	0.255	S	S	.	.	H	α-helix	trans	-55	-42.6	-175.5	-64.2	-174.5	172.4	-166.5	0	114.3	E130 W134 K135 A136 V258 E259	E130-K132 HydrophobicContact CG-CG 4Å; E130-K132 PolarHBondContact O-N 3.21Å; K132-W134 VanDerWaalsContact C-N 3.26Å; K132-W134 PolarHBondContact O-N 2.85Å; K132-K135 PolarHBondContact O-N 3.43Å; K132-A136 VanDerWaalsContact O-CB 3.26Å; K132-A136 WeakPolarHBondContact O-CB 3.35Å; K132-A136 PolarHBondContact O-N 2.94Å; K132-V258 HydrophobicContact CB-CG1 3.89Å; K132-E259 IonicContact NZ-OE1 3.7Å
133	P	95.1	Very high	95.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-35.3	-178.5	-24.9	35.6	0	0	0	113.9	I131 Y137 F250 M253 M254 V258	I131-P133 VanDerWaalsContact C-CD 3.49Å; P133-Y137 PolarHBondContact O-N 3.08Å; P133-Y137 VanDerWaalsContact O-N 3.14Å; P133-F250 HydrophobicContact CB-CB 4.33Å; P133-M253 HydrophobicContact CB-CB 4.14Å; P133-M253 HydrophobicContact CB-CE 3.99Å; P133-M253 HydrophobicContact CG-CB 3.62Å; P133-M253 WeakPolarHBondContact CG-O 3.19Å; P133-M254 VanDerWaalsContact CD-SD 3.59Å; P133-M254 HydrophobicContact CG-CG 4.44Å; P133-M254 HydrophobicContact CG-SD 4.14Å; P133-V258 HydrophobicContact CB-CG2 4.35Å; P133-V258 HydrophobicContact CG-CB 4.39Å
134	W	96.3	Very high	95.3	Very high	13 Å²	13	52.8 Å²	52.8	5%	0.049	25%	0.254	C	S	.	.	H	α-helix	trans	-70.4	-47	178.9	-66.4	12.3	0	0	0	110.8	I131 K132 A136 Y137 R138 L148 I149 M246 M247 F250 H272 W276	I131-W134 HydrophobicContact CB-CB 4.48Å; I131-W134 HydrophobicContact CB-CD2 4.45Å; I131-W134 HydrophobicContact CB-CG 4.35Å; I131-W134 HydrophobicContact CD1-CD2 4.37Å; I131-W134 HydrophobicContact CD1-CE3 4.11Å; I131-W134 HydrophobicContact CD1-CZ3 4.19Å; I131-W134 HydrophobicContact CG2-CB 4.02Å; I131-W134 HydrophobicContact CG2-CD2 3.73Å; I131-W134 HydrophobicContact CG2-CE3 4.43Å; I131-W134 HydrophobicContact CG2-CG 3.51Å; I131-W134 PolarHBondContact O-N 2.85Å; K132-W134 VanDerWaalsContact C-N 3.26Å; K132-W134 PolarHBondContact O-N 2.85Å; W134-A136 VanDerWaalsContact C-N 3.33Å; W134-A136 PolarHBondContact O-N 3.39Å; W134-Y137 WeakPolarHBondContact O-CB 3.19Å; W134-Y137 PolarHBondContact O-N 3.17Å; W134-R138 WeakPolarHBondContact O-CG 3.16Å; W134-R138 PolarHBondContact O-N 2.89Å; W134-R138 VanDerWaalsContact O-N 3.1Å; W134-L148 HydrophobicContact CH2-CD1 4.34Å; W134-L148 HydrophobicContact CZ3-CB 4.4Å; W134-L148 HydrophobicContact CZ3-CD1 3.83Å; W134-I149 HydrophobicContact CB-CD1 4.27Å; W134-I149 HydrophobicContact CB-CG2 4.27Å; W134-I149 HydrophobicContact CE3-CG2 3.98Å; W134-M246 HydrophobicContact CZ2-CE 4.08Å; W134-M246 HydrophobicContact CZ2-SD 3.81Å; W134-M247 HydrophobicContact CZ2-SD 4.39Å; W134-F250 AromaticContact NE1-CG 3.65Å; W134-H272 AromaticContact CD1-CE1 3.97Å; W134-H272 AromaticContact CD1-NE2 3.97Å; W134-W276 HydrophobicContact CB-CZ2 4.42Å; W134-W276 AromaticContact CD1-CZ2 3.79Å; W134-W276 AromaticContact CD1-NE1 4Å; W134-W276 HydrophobicContact CD2-CH2 4.22Å; W134-W276 AromaticContact CD2-CZ2 3.62Å; W134-W276 HydrophobicContact CD2-CZ2 3.62Å; W134-W276 AromaticContact CE2-CZ2 3.67Å; W134-W276 HydrophobicContact CE3-CH2 4.3Å; W134-W276 HydrophobicContact CE3-CZ2 4.15Å; W134-W276 AromaticContact CG-CZ2 3.73Å; W134-W276 HydrophobicContact CG-CZ2 3.73Å; W134-W276 HydrophobicContact CZ2-CZ2 4.24Å; W134-W276 AromaticContact NE1-CZ2 3.77Å
135	K	96.8	Very high	95.5	Very high	26 Å²	26	51.2 Å²	51.2	11%	0.113	24%	0.241	C	C	.	.	H	α-helix	trans	-58.3	-46.1	175.1	-70.4	-173.5	174.5	-174.4	0	111.7	E130 I131 K132 Y137 R138 D139 Y145 I149	E130-K135 HydrophobicContact CG-CD 4.11Å; E130-K135 WeakPolarHBondContact OE1-CD 3.41Å; E130-K135 WeakPolarHBondContact OE1-CE 3.42Å; E130-K135 IonicContact OE1-NZ 3.99Å; E130-K135 PolarHBondContact OE1-NZ 2.84Å; I131-K135 PolarHBondContact O-N 3.32Å; K132-K135 PolarHBondContact O-N 3.43Å; K135-Y137 VanDerWaalsContact C-N 3.26Å; K135-Y137 PolarHBondContact O-N 3.39Å; K135-R138 WeakPolarHBondContact O-CA 3.4Å; K135-R138 WeakPolarHBondContact O-CB 3.23Å; K135-R138 PolarHBondContact O-N 2.82Å; K135-D139 VanDerWaalsContact O-CG 3.24Å; K135-D139 PolarHBondContact O-N 3.3Å; K135-Y145 HydrophobicContact CB-CE1 4.39Å; K135-Y145 HydrophobicContact CB-CE2 4.46Å; K135-Y145 HydrophobicContact CD-CE2 3.93Å; K135-Y145 HydrophobicContact CG-CD2 4.4Å; K135-Y145 HydrophobicContact CG-CE1 4.46Å; K135-Y145 HydrophobicContact CG-CE2 3.95Å; K135-I149 WeakPolarHBondContact CE-O 3.28Å; K135-I149 HydrophobicContact CG-CB 4.16Å; K135-I149 HydrophobicContact CG-CD1 4.09Å
136	A	96.9	Very high	95.5	Very high	9 Å²	9	47 Å²	47	7%	0.074	23%	0.225	C	C	.	.	H	α-helix	trans	-57.7	-37.4	178.9	0	0	0	0	0	112.6	K132 W134 L140 V258 Q262 W269	K132-A136 VanDerWaalsContact O-CB 3.26Å; K132-A136 WeakPolarHBondContact O-CB 3.35Å; K132-A136 PolarHBondContact O-N 2.94Å; W134-A136 VanDerWaalsContact C-N 3.33Å; W134-A136 PolarHBondContact O-N 3.39Å; A136-L140 WeakPolarHBondContact O-CB 3.35Å; A136-L140 PolarHBondContact O-N 2.84Å; A136-L140 VanDerWaalsContact O-N 3.15Å; A136-V258 HydrophobicContact CB-CG1 4.11Å; A136-V258 HydrophobicContact CB-CG2 3.83Å; A136-Q262 PolarHBondContact O-NE2 3.41Å; A136-W269 HydrophobicContact CB-CH2 3.98Å; A136-W269 HydrophobicContact CB-CZ3 4.18Å
137	Y	97.6	Very high	95.4	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-66.6	-46.9	172	166.7	-93.5	0	0	0	112	P133 W134 K135 D139 L140 R141 T273 W276 D277 F280	P133-Y137 PolarHBondContact O-N 3.08Å; P133-Y137 VanDerWaalsContact O-N 3.14Å; W134-Y137 WeakPolarHBondContact O-CB 3.19Å; W134-Y137 PolarHBondContact O-N 3.17Å; K135-Y137 VanDerWaalsContact C-N 3.26Å; K135-Y137 PolarHBondContact O-N 3.39Å; Y137-D139 VanDerWaalsContact C-N 3.3Å; Y137-D139 PolarHBondContact O-N 3.39Å; Y137-L140 PolarHBondContact O-N 3.35Å; Y137-R141 HydrophobicContact CD2-CG 4.16Å; Y137-R141 HydrophobicContact CE1-CG 4.42Å; Y137-R141 HydrophobicContact CE2-CB 4.46Å; Y137-R141 HydrophobicContact CE2-CG 3.52Å; Y137-R141 PolarHBondContact O-N 3.42Å; Y137-T273 HydrophobicContact CD2-CG2 3.92Å; Y137-T273 HydrophobicContact CE2-CG2 3.9Å; Y137-W276 HydrophobicContact CD1-CB 3.7Å; Y137-W276 AromaticContact CD1-CD1 3.99Å; Y137-W276 HydrophobicContact CD1-CD2 4.21Å; Y137-W276 AromaticContact CD1-CG 3.73Å; Y137-W276 HydrophobicContact CD1-CG 3.73Å; Y137-W276 HydrophobicContact CD2-CB 3.62Å; Y137-W276 HydrophobicContact CD2-CG 4.1Å; Y137-W276 HydrophobicContact CE1-CB 3.44Å; Y137-W276 VanDerWaalsContact CE1-CB 3.44Å; Y137-W276 HydrophobicContact CE1-CD2 4.41Å; Y137-W276 AromaticContact CE1-CG 3.92Å; Y137-W276 HydrophobicContact CE1-CG 3.92Å; Y137-W276 HydrophobicContact CE2-CB 3.31Å; Y137-W276 HydrophobicContact CE2-CG 4.24Å; Y137-W276 HydrophobicContact CG-CB 3.8Å; Y137-W276 AromaticContact CG-CD1 3.73Å; Y137-W276 AromaticContact CG-CG 3.84Å; Y137-W276 HydrophobicContact CG-CG 3.84Å; Y137-W276 PolarHBondContact OH-O 3.42Å; Y137-D277 VanDerWaalsContact CE2-OD1 3.26Å; Y137-D277 WeakPolarHBondContact CE2-OD1 3.32Å; Y137-D277 WeakPolarHBondContact OH-CA 3.5Å; Y137-D277 PolarHBondContact OH-N 2.8Å; Y137-D277 PolarHBondContact OH-OD1 3.45Å; Y137-F280 HydrophobicContact CD1-CE2 4.49Å; Y137-F280 AromaticContact CE1-CD2 3.73Å; Y137-F280 HydrophobicContact CE1-CD2 3.73Å; Y137-F280 AromaticContact CE1-CE2 3.79Å; Y137-F280 HydrophobicContact CE1-CE2 3.79Å
138	R	97.4	Very high	95.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.3	-41.8	-179.9	-60.6	-50.7	166.9	74.1	6.9	111.5	W134 K135 R141 N142 E143 A144 Y145 I149 F280 E323	W134-R138 WeakPolarHBondContact O-CG 3.16Å; W134-R138 PolarHBondContact O-N 2.89Å; W134-R138 VanDerWaalsContact O-N 3.1Å; K135-R138 WeakPolarHBondContact O-CA 3.4Å; K135-R138 WeakPolarHBondContact O-CB 3.23Å; K135-R138 PolarHBondContact O-N 2.82Å; R138-R141 PolarHBondContact O-N 3.07Å; R138-N142 WeakPolarHBondContact O-CA 3.37Å; R138-N142 PolarHBondContact O-N 3.35Å; R138-E143 HydrophobicContact CB-CB 4.34Å; R138-E143 PolarHBondContact O-N 3.36Å; R138-A144 WeakPolarHBondContact CD-O 3.3Å; R138-A144 PolarHBondContact NH1-O 3.31Å; R138-Y145 HydrophobicContact CB-CD1 3.58Å; R138-Y145 HydrophobicContact CB-CE1 3.52Å; R138-Y145 HydrophobicContact CG-CD1 3.84Å; R138-Y145 HydrophobicContact CG-CE1 4.2Å; R138-I149 HydrophobicContact CG-CD1 3.99Å; R138-F280 VanDerWaalsContact CZ-CZ 3.42Å; R138-F280 VanDerWaalsContact NE-CE2 3.3Å; R138-F280 VanDerWaalsContact NE-CZ 3.31Å; R138-E323 IonicContact CZ-OE1 3.44Å; R138-E323 IonicContact NH1-OE1 2.79Å; R138-E323 PolarHBondContact NH1-OE1 3.22Å; R138-E323 IonicContact NH2-OE1 3.98Å; R138-E323 PolarHBondContact NH2-OE1 2.97Å
139	D	97.1	Very high	95.4	Very high	102 Å²	102	44.5 Å²	44.5	55%	0.545	22%	0.218	S	C	.	.	H	α-helix	trans	-63.8	-44.5	176.6	-62.4	-23.8	0	0	0	111.3	K135 Y137 R141 N142 Y145	K135-D139 VanDerWaalsContact O-CG 3.24Å; K135-D139 PolarHBondContact O-N 3.3Å; Y137-D139 VanDerWaalsContact C-N 3.3Å; Y137-D139 PolarHBondContact O-N 3.39Å; D139-R141 VanDerWaalsContact C-N 3.32Å; D139-R141 PolarHBondContact O-N 2.89Å; D139-N142 PolarHBondContact O-N 3.32Å; D139-Y145 VanDerWaalsContact OD1-CE1 3.27Å; D139-Y145 WeakPolarHBondContact OD1-CE1 3.25Å; D139-Y145 VanDerWaalsContact OD1-CZ 3.28Å; D139-Y145 PolarHBondContact OD1-OH 3.2Å; D139-Y145 PolarHBondContact OD2-OH 3.24Å; D139-Y145 VanDerWaalsContact OD2-OH 3.07Å
140	L	96.7	Very high	95.6	Very high	86 Å²	86	42.3 Å²	42.3	45%	0.45	21%	0.207	S	C	.	.	H	α-helix	trans	-60.4	-39.9	177.6	176.3	65.6	0	0	0	112.3	A136 Y137 W269 T273	A136-L140 WeakPolarHBondContact O-CB 3.35Å; A136-L140 PolarHBondContact O-N 2.84Å; A136-L140 VanDerWaalsContact O-N 3.15Å; Y137-L140 PolarHBondContact O-N 3.35Å; L140-W269 HydrophobicContact CB-CZ2 4.47Å; L140-W269 HydrophobicContact CD2-CZ2 3.62Å; L140-T273 HydrophobicContact CD2-CG2 4.07Å
141	R	96.6	Very high	95.9	Very high	103 Å²	103	40.9 Å²	40.9	39%	0.389	20%	0.2	S	C	.	.	H	α-helix	trans	-96.1	1.5	-176.2	-67.9	-64.7	-171.3	-114.7	6.3	114.1	Y137 R138 D139 E143 D277	Y137-R141 HydrophobicContact CD2-CG 4.16Å; Y137-R141 HydrophobicContact CE1-CG 4.42Å; Y137-R141 HydrophobicContact CE2-CB 4.46Å; Y137-R141 HydrophobicContact CE2-CG 3.52Å; Y137-R141 PolarHBondContact O-N 3.42Å; R138-R141 PolarHBondContact O-N 3.07Å; D139-R141 VanDerWaalsContact C-N 3.32Å; D139-R141 PolarHBondContact O-N 2.89Å; R141-E143 HydrophobicContact CB-CG 3.87Å; R141-E143 PolarHBondContact O-N 3.17Å; R141-D277 IonicContact CZ-OD1 3.08Å; R141-D277 IonicContact CZ-OD2 2.68Å; R141-D277 IonicContact NE-OD1 3.63Å; R141-D277 PolarHBondContact NE-OD1 3Å; R141-D277 IonicContact NE-OD2 3.2Å; R141-D277 PolarHBondContact NE-OD2 3.49Å; R141-D277 IonicContact NH2-OD1 2.7Å; R141-D277 IonicContact NH2-OD2 3.6Å; R141-D277 PolarHBondContact NH2-OD2 3.06Å
142	N	96.4	Very high	96	Very high	118 Å²	118	40.2 Å²	40.2	63%	0.631	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	41.3	-174	-170.6	24.6	0	0	0	112.3	R138 D139 K315	R138-N142 WeakPolarHBondContact O-CA 3.37Å; R138-N142 PolarHBondContact O-N 3.35Å; D139-N142 PolarHBondContact O-N 3.32Å; N142-K315 PolarHBondContact ND2-NZ 2.98Å; N142-K315 PolarHBondContact O-NZ 2.9Å
143	E	96.8	Very high	96.1	Very high	28 Å²	28	43.2 Å²	43.2	13%	0.131	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-94.2	153.9	173.4	-63.7	-60	161.6	0	0	110.6	R138 R141 F280 K284	R138-E143 HydrophobicContact CB-CB 4.34Å; R138-E143 PolarHBondContact O-N 3.36Å; R141-E143 HydrophobicContact CB-CG 3.87Å; R141-E143 PolarHBondContact O-N 3.17Å; E143-F280 HydrophobicContact CB-CE1 4.43Å; E143-F280 HydrophobicContact CG-CD1 4.42Å; E143-F280 HydrophobicContact CG-CE1 4.43Å; E143-K284 IonicContact OE1-NZ 3.47Å; E143-K284 PolarHBondContact OE1-NZ 3.49Å; E143-K284 IonicContact OE2-NZ 3.77Å; E143-K284 PolarHBondContact OE2-NZ 2.98Å
144	A	96.8	Very high	96.1	Very high	20 Å²	20	47.2 Å²	47.2	17%	0.165	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-72.8	161	175.3	0	0	0	0	0	112	R138 K315 E316 A319	R138-A144 WeakPolarHBondContact CD-O 3.3Å; R138-A144 PolarHBondContact NH1-O 3.31Å; A144-K315 HydrophobicContact CB-CB 4Å; A144-K315 WeakPolarHBondContact CB-O 3.49Å; A144-E316 HydrophobicContact CB-CB 4.44Å; A144-E316 HydrophobicContact CB-CG 3.98Å; A144-A319 HydrophobicContact CB-CB 3.99Å; A144-A319 WeakPolarHBondContact O-CB 3.25Å
145	Y	97.4	Very high	96.1	Very high	61 Å²	61	46.7 Å²	46.7	24%	0.239	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-85.8	140.1	168.8	-66.5	4.7	0	0	0	109.1	K135 R138 D139 I149 L150	K135-Y145 HydrophobicContact CB-CE1 4.39Å; K135-Y145 HydrophobicContact CB-CE2 4.46Å; K135-Y145 HydrophobicContact CD-CE2 3.93Å; K135-Y145 HydrophobicContact CG-CD2 4.4Å; K135-Y145 HydrophobicContact CG-CE1 4.46Å; K135-Y145 HydrophobicContact CG-CE2 3.95Å; R138-Y145 HydrophobicContact CB-CD1 3.58Å; R138-Y145 HydrophobicContact CB-CE1 3.52Å; R138-Y145 HydrophobicContact CG-CD1 3.84Å; R138-Y145 HydrophobicContact CG-CE1 4.2Å; D139-Y145 VanDerWaalsContact OD1-CE1 3.27Å; D139-Y145 WeakPolarHBondContact OD1-CE1 3.25Å; D139-Y145 VanDerWaalsContact OD1-CZ 3.28Å; D139-Y145 PolarHBondContact OD1-OH 3.2Å; D139-Y145 PolarHBondContact OD2-OH 3.24Å; D139-Y145 VanDerWaalsContact OD2-OH 3.07Å; Y145-I149 HydrophobicContact CD1-CD1 4.12Å; Y145-I149 HydrophobicContact CG-CD1 4.04Å; Y145-I149 HydrophobicContact CG-CG1 4.3Å; Y145-L150 WeakPolarHBondContact O-CD1 3.29Å; Y145-L150 WeakPolarHBondContact O-CG 3.39Å
146	G	95.2	Very high	96	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.244	C	C	.	.			trans	-97.5	-176.3	173.6	0	0	0	0	0	112.4	L148 I149 L150 E323	G146-L148 PolarHBondContact O-N 3Å; G146-I149 PolarHBondContact O-N 3.43Å; G146-I149 VanDerWaalsContact O-N 3.15Å; G146-L150 VanDerWaalsContact O-CB 3.29Å; G146-L150 WeakPolarHBondContact O-CB 3.41Å; G146-L150 WeakPolarHBondContact O-CG 3.48Å; G146-L150 PolarHBondContact O-N 2.97Å; G146-E323 VanDerWaalsContact CA-OE1 3.25Å; G146-E323 WeakPolarHBondContact CA-OE1 3.3Å; G146-E323 WeakPolarHBondContact CA-OE2 3.48Å; G146-E323 PolarHBondContact N-OE1 3.41Å
147	L	94.1	Very high	95.9	Very high	12 Å²	12	52.4 Å²	52.4	6%	0.063	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-26.9	-173.8	-71.7	167.4	0	0	0	115.5	V158 R159 F162 E323 I464	L147-V158 HydrophobicContact CD2-CB 4.07Å; L147-V158 HydrophobicContact CD2-CG1 3.68Å; L147-V158 HydrophobicContact CG-CG1 4Å; L147-R159 HydrophobicContact CD2-CB 3.99Å; L147-F162 HydrophobicContact CD1-CB 4.19Å; L147-F162 HydrophobicContact CD1-CD2 4.21Å; L147-F162 HydrophobicContact CD1-CG 4.08Å; L147-E323 PolarHBondContact N-OE2 2.84Å; L147-E323 VanDerWaalsContact N-OE2 3.12Å; L147-I464 HydrophobicContact CD1-CD1 3.51Å; L147-I464 HydrophobicContact CD1-CG2 4.31Å; L147-I464 HydrophobicContact CD2-CD1 4.49Å
148	L	93.6	Very high	95.7	Very high	80 Å²	80	52.3 Å²	52.3	42%	0.419	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-34.2	-177.2	-61.3	177.6	0	0	0	111.7	W134 G146 E323 R461	W134-L148 HydrophobicContact CH2-CD1 4.34Å; W134-L148 HydrophobicContact CZ3-CB 4.4Å; W134-L148 HydrophobicContact CZ3-CD1 3.83Å; G146-L148 PolarHBondContact O-N 3Å; L148-E323 VanDerWaalsContact CB-OE2 3.25Å; L148-E323 WeakPolarHBondContact CB-OE2 3.33Å; L148-E323 HydrophobicContact CD1-CB 3.96Å; L148-E323 HydrophobicContact CD1-CG 4.25Å; L148-E323 HydrophobicContact CG-CB 4.19Å; L148-E323 PolarHBondContact N-OE2 2.89Å; L148-R461 PolarHBondContact O-NH2 3.03Å
149	I	95.3	Very high	95.6	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-7.2	-173.7	56.5	166.5	0	0	0	114.5	I131 W134 K135 R138 Y145 G146	I131-I149 HydrophobicContact CB-CG2 4Å; I131-I149 HydrophobicContact CD1-CG2 4.2Å; I131-I149 HydrophobicContact CG1-CG2 4.4Å; W134-I149 HydrophobicContact CB-CD1 4.27Å; W134-I149 HydrophobicContact CB-CG2 4.27Å; W134-I149 HydrophobicContact CE3-CG2 3.98Å; K135-I149 WeakPolarHBondContact CE-O 3.28Å; K135-I149 HydrophobicContact CG-CB 4.16Å; K135-I149 HydrophobicContact CG-CD1 4.09Å; R138-I149 HydrophobicContact CG-CD1 3.99Å; Y145-I149 HydrophobicContact CD1-CD1 4.12Å; Y145-I149 HydrophobicContact CG-CD1 4.04Å; Y145-I149 HydrophobicContact CG-CG1 4.3Å; G146-I149 PolarHBondContact O-N 3.43Å; G146-I149 VanDerWaalsContact O-N 3.15Å
150	L	95.8	Very high	95.4	Very high	17 Å²	17	50.1 Å²	50.1	9%	0.089	25%	0.248	C	C	.	.			trans	-66.4	149.7	168.3	-82	170.2	0	0	0	111.6	Y145 G146 D154 W155 V158 R461	Y145-L150 WeakPolarHBondContact O-CD1 3.29Å; Y145-L150 WeakPolarHBondContact O-CG 3.39Å; G146-L150 VanDerWaalsContact O-CB 3.29Å; G146-L150 WeakPolarHBondContact O-CB 3.41Å; G146-L150 WeakPolarHBondContact O-CG 3.48Å; G146-L150 PolarHBondContact O-N 2.97Å; L150-D154 HydrophobicContact CD2-CB 3.94Å; L150-W155 HydrophobicContact CB-CB 3.81Å; L150-W155 HydrophobicContact CB-CG 4.49Å; L150-V158 HydrophobicContact CD1-CB 3.85Å; L150-V158 HydrophobicContact CD1-CG1 4.23Å; L150-V158 HydrophobicContact CD1-CG2 3.58Å; L150-R461 PolarHBondContact O-NH2 3.46Å
151	E	96.1	Very high	95.1	Very high	41 Å²	41	46.3 Å²	46.3	19%	0.192	23%	0.229	C	C	.	.			trans	-132.3	167.2	176.9	-62.1	-57.2	146.7	0	0	111.5	Q127 W155 R461	Q127-E151 WeakPolarHBondContact CA-OE2 3.46Å; Q127-E151 WeakPolarHBondContact CB-OE2 3.49Å; Q127-E151 VanDerWaalsContact CG-OE2 3.31Å; Q127-E151 WeakPolarHBondContact CG-OE2 3.45Å; E151-W155 PolarHBondContact O-N 2.98Å; E151-W155 VanDerWaalsContact O-N 3.16Å; E151-R461 IonicContact OE1-CZ 3.05Å; E151-R461 IonicContact OE1-NH1 2.89Å; E151-R461 PolarHBondContact OE1-NH1 3.03Å; E151-R461 VanDerWaalsContact OE1-NH1 3.15Å; E151-R461 IonicContact OE1-NH2 2.77Å; E151-R461 PolarHBondContact OE1-NH2 3.21Å; E151-R461 IonicContact OE2-CZ 2.64Å; E151-R461 IonicContact OE2-NH1 3.23Å; E151-R461 PolarHBondContact OE2-NH1 2.81Å; E151-R461 IonicContact OE2-NH2 3.17Å
152	G	95.7	Very high	94.9	Very high	27 Å²	27	41.5 Å²	41.5	28%	0.278	21%	0.211	S	C	.	.	H	α-helix	trans	61.1	-141	170.2	0	0	0	0	0	114.9	Y125 W155 Q156	Y125-G152 WeakPolarHBondContact CD1-O 3.31Å; G152-W155 PolarHBondContact O-N 3.34Å; G152-Q156 PolarHBondContact O-N 3.36Å
153	K	95.3	Very high	94.7	Very high	160 Å²	160	39.3 Å²	39.3	70%	0.696	20%	0.197	S	C	*	.	H	α-helix	trans	-67.1	-34.5	-177.3	-68.5	-177.6	-179.7	178.4	0	112.6	Y125 Q156 R157	Y125-K153 HydrophobicContact CE1-CG 4.17Å; Y125-K153 HydrophobicContact CE2-CG 4.47Å; K153-Q156 PolarHBondContact O-N 3.12Å; K153-R157 PolarHBondContact O-N 3.42Å
154	D	94.2	Very high	94.3	Very high	84 Å²	84	42.4 Å²	42.4	45%	0.449	21%	0.211	S	C	.	.	H	α-helix	trans	-67.1	-43.1	177.8	-71.3	-51.1	0	0	0	111.3	L150 Q156 R157 V158	L150-D154 HydrophobicContact CD2-CB 3.94Å; D154-Q156 VanDerWaalsContact C-N 3.32Å; D154-Q156 PolarHBondContact O-N 2.91Å; D154-R157 PolarHBondContact O-N 3.2Å; D154-R157 IonicContact OD1-CZ 2.76Å; D154-R157 IonicContact OD1-NE 2.99Å; D154-R157 IonicContact OD1-NH2 2.78Å; D154-R157 PolarHBondContact OD1-NH2 3.27Å; D154-V158 WeakPolarHBondContact O-CG2 3.46Å; D154-V158 PolarHBondContact O-N 3.42Å
155	W	96.3	Very high	93.8	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-55.1	-48.3	170.3	172	80	0	0	0	111.6	L150 E151 G152 R157 V158 R159 K460 R461	L150-W155 HydrophobicContact CB-CB 3.81Å; L150-W155 HydrophobicContact CB-CG 4.49Å; E151-W155 PolarHBondContact O-N 2.98Å; E151-W155 VanDerWaalsContact O-N 3.16Å; G152-W155 PolarHBondContact O-N 3.34Å; W155-R157 PolarHBondContact O-N 3Å; W155-V158 PolarHBondContact O-N 3.17Å; W155-R159 HydrophobicContact CD2-CB 4.37Å; W155-R159 HydrophobicContact CH2-CG 4.12Å; W155-R159 HydrophobicContact CZ2-CB 4.06Å; W155-R159 HydrophobicContact CZ2-CG 3.72Å; W155-R159 WeakPolarHBondContact O-CA 3.47Å; W155-R159 WeakPolarHBondContact O-CB 3.48Å; W155-R159 PolarHBondContact O-N 3.08Å; W155-K460 HydrophobicContact CH2-CB 4.03Å; W155-R461 HydrophobicContact CH2-CB 3.97Å; W155-R461 HydrophobicContact CH2-CG 4.36Å; W155-R461 HydrophobicContact CZ2-CB 3.56Å; W155-R461 HydrophobicContact CZ2-CG 3.5Å
156	Q	95.3	Very high	93.5	Very high	61 Å²	61	39.7 Å²	39.7	29%	0.285	20%	0.197	S	C	.	.	H	α-helix	trans	-64	-38.9	-178.9	-179.2	63.8	28.7	0	0	112.4	Y125 G152 K153 D154 S160	Y125-Q156 HydrophobicContact CD1-CB 3.73Å; Y125-Q156 HydrophobicContact CD1-CG 4.39Å; Y125-Q156 HydrophobicContact CE1-CB 3.67Å; Y125-Q156 HydrophobicContact CE1-CG 4.03Å; G152-Q156 PolarHBondContact O-N 3.36Å; K153-Q156 PolarHBondContact O-N 3.12Å; D154-Q156 VanDerWaalsContact C-N 3.32Å; D154-Q156 PolarHBondContact O-N 2.91Å; Q156-S160 PolarHBondContact NE2-OG 3.06Å; Q156-S160 VanDerWaalsContact O-CB 3.27Å; Q156-S160 WeakPolarHBondContact O-CB 3.13Å; Q156-S160 PolarHBondContact O-N 2.95Å; Q156-S160 PolarHBondContact O-OG 2.91Å
157	R	93.6	Very high	93.3	Very high	95 Å²	95	41 Å²	41	36%	0.358	20%	0.204	S	C	.	.	H	α-helix	trans	-60.4	-54.8	176.9	176.3	173.1	55.9	109.9	2.1	110.8	K153 D154 W155 S160 A161 E316	K153-R157 PolarHBondContact O-N 3.42Å; D154-R157 PolarHBondContact O-N 3.2Å; D154-R157 IonicContact OD1-CZ 2.76Å; D154-R157 IonicContact OD1-NE 2.99Å; D154-R157 IonicContact OD1-NH2 2.78Å; D154-R157 PolarHBondContact OD1-NH2 3.27Å; W155-R157 PolarHBondContact O-N 3Å; R157-S160 PolarHBondContact O-N 3.29Å; R157-A161 PolarHBondContact O-N 2.88Å; R157-E316 IonicContact CZ-OE1 3.73Å; R157-E316 VanDerWaalsContact CZ-OE1 3.25Å; R157-E316 IonicContact NH1-OE1 2.79Å; R157-E316 PolarHBondContact NH1-OE1 3.34Å; R157-E316 VanDerWaalsContact NH1-OE1 3.08Å; R157-E316 IonicContact NH1-OE2 3.35Å; R157-E316 PolarHBondContact NH1-OE2 3.32Å; R157-E316 IonicContact NH2-OE1 2.64Å; R157-E316 PolarHBondContact NH2-OE1 2.89Å
158	V	94	Very high	93.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.3	-42.3	178.9	-175.5	0	0	0	0	110.7	L147 L150 D154 W155 S160 A161 F162 L312 S320	L147-V158 HydrophobicContact CD2-CB 4.07Å; L147-V158 HydrophobicContact CD2-CG1 3.68Å; L147-V158 HydrophobicContact CG-CG1 4Å; L150-V158 HydrophobicContact CD1-CB 3.85Å; L150-V158 HydrophobicContact CD1-CG1 4.23Å; L150-V158 HydrophobicContact CD1-CG2 3.58Å; D154-V158 WeakPolarHBondContact O-CG2 3.46Å; D154-V158 PolarHBondContact O-N 3.42Å; W155-V158 PolarHBondContact O-N 3.17Å; V158-S160 VanDerWaalsContact C-N 3.34Å; V158-S160 PolarHBondContact O-N 3.04Å; V158-A161 WeakPolarHBondContact O-CB 3.28Å; V158-A161 PolarHBondContact O-N 3.27Å; V158-F162 HydrophobicContact CG1-CD2 3.84Å; V158-F162 HydrophobicContact CG1-CE2 3.83Å; V158-F162 WeakPolarHBondContact O-CD2 3.47Å; V158-F162 PolarHBondContact O-N 3.13Å; V158-L312 HydrophobicContact CB-CD2 4.46Å; V158-L312 HydrophobicContact CG2-CD2 3.81Å; V158-S320 WeakPolarHBondContact CG1-OG 3.29Å
159	R	95.1	Very high	92.7	Very high	10 Å²	10	44.4 Å²	44.4	4%	0.038	22%	0.222	C	C	.	.	H	α-helix	trans	-59	-44.9	177.6	176.2	58.5	-179.9	-135.7	2.3	112	L147 W155 A161 Q163 K460 M462	L147-R159 HydrophobicContact CD2-CB 3.99Å; W155-R159 HydrophobicContact CD2-CB 4.37Å; W155-R159 HydrophobicContact CH2-CG 4.12Å; W155-R159 HydrophobicContact CZ2-CB 4.06Å; W155-R159 HydrophobicContact CZ2-CG 3.72Å; W155-R159 WeakPolarHBondContact O-CA 3.47Å; W155-R159 WeakPolarHBondContact O-CB 3.48Å; W155-R159 PolarHBondContact O-N 3.08Å; R159-A161 VanDerWaalsContact C-N 3.31Å; R159-A161 PolarHBondContact O-N 3.15Å; R159-Q163 WeakPolarHBondContact O-CB 3.35Å; R159-Q163 PolarHBondContact O-N 3.45Å; R159-K460 PolarHBondContact NH2-O 3.38Å; R159-M462 PolarHBondContact NH1-O 3.39Å; R159-M462 PolarHBondContact NH2-O 3.26Å
160	S	92.7	Very high	92.2	Very high	46 Å²	46	49 Å²	49	32%	0.322	25%	0.25	S	S	.	.	H	α-helix	trans	-61.3	-43.2	-178.9	-60.2	0	0	0	0	110.7	Q156 R157 V158 Q164	Q156-S160 PolarHBondContact NE2-OG 3.06Å; Q156-S160 VanDerWaalsContact O-CB 3.27Å; Q156-S160 WeakPolarHBondContact O-CB 3.13Å; Q156-S160 PolarHBondContact O-N 2.95Å; Q156-S160 PolarHBondContact O-OG 2.91Å; R157-S160 PolarHBondContact O-N 3.29Å; V158-S160 VanDerWaalsContact C-N 3.34Å; V158-S160 PolarHBondContact O-N 3.04Å; S160-Q164 WeakPolarHBondContact O-CG 3.37Å; S160-Q164 PolarHBondContact O-N 2.92Å
161	A	91.1	Very high	91.7	Very high	6 Å²	6	50 Å²	50	5%	0.05	26%	0.255	C	S	.	.	H	α-helix	trans	-54.8	-60.2	176.2	0	0	0	0	0	112.3	R157 V158 R159 Q163 Q164 I306 S310 L312	R157-A161 PolarHBondContact O-N 2.88Å; V158-A161 WeakPolarHBondContact O-CB 3.28Å; V158-A161 PolarHBondContact O-N 3.27Å; R159-A161 VanDerWaalsContact C-N 3.31Å; R159-A161 PolarHBondContact O-N 3.15Å; A161-Q163 PolarHBondContact O-N 2.67Å; A161-Q164 PolarHBondContact O-N 2.94Å; A161-I306 HydrophobicContact CB-CG2 4.47Å; A161-S310 WeakPolarHBondContact CA-OG 3.37Å; A161-S310 WeakPolarHBondContact CB-OG 3.37Å; A161-L312 HydrophobicContact CB-CD1 4.01Å
162	F	92.3	Very high	91.2	Very high	1 Å²	1	48.3 Å²	48.3	0%	0.004	25%	0.247	C	C	.	.	H	α-helix	trans	-68	-34.6	-176.7	-80	-93.3	0	0	0	112.7	L147 V158 Q164 K165 L166 I306 L312 L317 S320 I321 L324 I464	L147-F162 HydrophobicContact CD1-CB 4.19Å; L147-F162 HydrophobicContact CD1-CD2 4.21Å; L147-F162 HydrophobicContact CD1-CG 4.08Å; V158-F162 HydrophobicContact CG1-CD2 3.84Å; V158-F162 HydrophobicContact CG1-CE2 3.83Å; V158-F162 WeakPolarHBondContact O-CD2 3.47Å; V158-F162 PolarHBondContact O-N 3.13Å; F162-Q164 VanDerWaalsContact C-N 3.29Å; F162-Q164 PolarHBondContact O-N 3.39Å; F162-K165 PolarHBondContact O-N 3.44Å; F162-K165 VanDerWaalsContact O-N 3.14Å; F162-L166 HydrophobicContact CB-CD1 4.35Å; F162-L166 HydrophobicContact CD1-CD1 4.02Å; F162-L166 WeakPolarHBondContact O-CB 3.36Å; F162-L166 PolarHBondContact O-N 3.31Å; F162-I306 HydrophobicContact CD1-CD1 3.69Å; F162-I306 HydrophobicContact CD2-CG2 4.28Å; F162-I306 HydrophobicContact CE1-CD1 3.9Å; F162-I306 HydrophobicContact CE1-CG2 4.42Å; F162-I306 HydrophobicContact CE2-CG2 3.95Å; F162-I306 HydrophobicContact CG-CD1 4.19Å; F162-I306 HydrophobicContact CZ-CG2 4.03Å; F162-L312 HydrophobicContact CD2-CD1 4.4Å; F162-L312 HydrophobicContact CE2-CD1 3.85Å; F162-L317 HydrophobicContact CZ-CD1 4.12Å; F162-S320 VanDerWaalsContact CE2-CB 3.44Å; F162-I321 HydrophobicContact CE1-CG1 4.37Å; F162-I321 HydrophobicContact CZ-CG1 4.4Å; F162-L324 HydrophobicContact CD1-CD1 3.57Å; F162-L324 HydrophobicContact CE1-CD1 3.48Å; F162-L324 VanDerWaalsContact CE1-CD1 3.48Å; F162-I464 HydrophobicContact CB-CD1 3.41Å; F162-I464 VanDerWaalsContact CB-CD1 3.41Å; F162-I464 HydrophobicContact CG-CD1 4.47Å
163	Q	92.4	Very high	90.5	Very high	72 Å²	72	48.9 Å²	48.9	34%	0.336	25%	0.245	S	C	.	.	H	α-helix	trans	-64.8	-32.4	-178.2	-178.3	169.7	-35.3	0	0	112.6	R159 A161 K165 M167	R159-Q163 WeakPolarHBondContact O-CB 3.35Å; R159-Q163 PolarHBondContact O-N 3.45Å; A161-Q163 PolarHBondContact O-N 2.67Å; Q163-K165 PolarHBondContact O-N 2.71Å; Q163-M167 HydrophobicContact CG-CB 3.79Å; Q163-M167 HydrophobicContact CG-CG 3.94Å; Q163-M167 WeakPolarHBondContact O-CB 3.4Å; Q163-M167 PolarHBondContact O-N 3.2Å
164	Q	88	Confident	89.8	Confident	94 Å²	94	46.4 Å²	46.4	44%	0.439	24%	0.235	S	C	.	.	H	α-helix	trans	-61.2	-25.9	176.9	-66.3	-52.8	-51.6	0	0	112.5	S160 A161 F162 K168	S160-Q164 WeakPolarHBondContact O-CG 3.37Å; S160-Q164 PolarHBondContact O-N 2.92Å; A161-Q164 PolarHBondContact O-N 2.94Å; F162-Q164 VanDerWaalsContact C-N 3.29Å; F162-Q164 PolarHBondContact O-N 3.39Å; Q164-K168 WeakPolarHBondContact O-CD 3.45Å; Q164-K168 WeakPolarHBondContact O-CE 3.47Å; Q164-K168 WeakPolarHBondContact O-CG 3.06Å
165	K	86.5	Confident	89.1	Confident	20 Å²	20	43.1 Å²	43.1	9%	0.087	22%	0.217	C	C	.	.	H	α-helix	trans	-105.1	-38.1	-177.8	-62.1	-63.9	-168.1	163.8	0	113.8	F162 Q163 E171 L302 D305 I306	F162-K165 PolarHBondContact O-N 3.44Å; F162-K165 VanDerWaalsContact O-N 3.14Å; Q163-K165 PolarHBondContact O-N 2.71Å; K165-E171 HydrophobicContact CD-CG 4.38Å; K165-E171 VanDerWaalsContact CD-OE2 3.31Å; K165-E171 WeakPolarHBondContact CD-OE2 3.3Å; K165-E171 IonicContact NZ-OE2 3.15Å; K165-E171 PolarHBondContact NZ-OE2 3.26Å; K165-E171 WeakPolarHBondContact O-CB 3.41Å; K165-L302 HydrophobicContact CB-CD1 3.24Å; K165-L302 HydrophobicContact CD-CD1 4.48Å; K165-L302 HydrophobicContact CG-CD1 3.85Å; K165-D305 VanDerWaalsContact CE-OD2 3.27Å; K165-D305 WeakPolarHBondContact CE-OD2 3.33Å; K165-D305 IonicContact NZ-OD2 2.67Å; K165-D305 PolarHBondContact NZ-OD2 3.09Å; K165-I306 HydrophobicContact CB-CD1 4.36Å; K165-I306 HydrophobicContact CG-CD1 4.29Å; K165-I306 HydrophobicContact CG-CG1 4.01Å
166	L	90.8	Very high	88.2	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-90.3	-16.2	-174.1	-63.7	-179	0	0	0	114.6	F162 V172 L302 L324 I464	F162-L166 HydrophobicContact CB-CD1 4.35Å; F162-L166 HydrophobicContact CD1-CD1 4.02Å; F162-L166 WeakPolarHBondContact O-CB 3.36Å; F162-L166 PolarHBondContact O-N 3.31Å; L166-V172 VanDerWaalsContact O-CG2 3.3Å; L166-V172 WeakPolarHBondContact O-CG2 3.34Å; L166-L302 HydrophobicContact CD2-CD1 4.22Å; L166-L302 HydrophobicContact CD2-CD2 4.18Å; L166-L324 HydrophobicContact CD1-CD1 3.79Å; L166-L324 HydrophobicContact CD1-CD2 3.92Å; L166-I464 HydrophobicContact CB-CG1 4.44Å; L166-I464 HydrophobicContact CD1-CG1 4.37Å
167	M	91.1	Very high	87.1	Confident	28 Å²	28	41.9 Å²	41.9	14%	0.138	22%	0.218	C	C	.	.	S	Bend	trans	-117	-7.6	-176.1	-67.2	-70.3	-73.5	0	0	114	Q163 M462 I464 R466 R467	Q163-M167 HydrophobicContact CG-CB 3.79Å; Q163-M167 HydrophobicContact CG-CG 3.94Å; Q163-M167 WeakPolarHBondContact O-CB 3.4Å; Q163-M167 PolarHBondContact O-N 3.2Å; M167-M462 HydrophobicContact CE-CE 4.44Å; M167-M462 HydrophobicContact CE-SD 4.25Å; M167-I464 HydrophobicContact CG-CG1 4.42Å; M167-I464 WeakPolarHBondContact CG-O 3.29Å; M167-R466 HydrophobicContact CE-CB 4.28Å; M167-R466 HydrophobicContact SD-CB 4.13Å; M167-R467 HydrophobicContact SD-CG 4.05Å
168	K	89.6	Confident	86	Confident	87 Å²	87	39.4 Å²	39.4	38%	0.378	21%	0.21	S	C	.	.			trans	-80	124.3	173.5	-74.5	-168.6	-169.9	165.5	0	110.2	Q164 T170 E171 V172	Q164-K168 WeakPolarHBondContact O-CD 3.45Å; Q164-K168 WeakPolarHBondContact O-CE 3.47Å; Q164-K168 WeakPolarHBondContact O-CG 3.06Å; K168-T170 VanDerWaalsContact C-N 3.27Å; K168-T170 PolarHBondContact O-N 3.28Å; K168-E171 HydrophobicContact CB-CB 4.18Å; K168-E171 HydrophobicContact CB-CG 3.99Å; K168-E171 HydrophobicContact CD-CG 4.35Å; K168-E171 PolarHBondContact O-N 3.02Å; K168-V172 WeakPolarHBondContact O-CG2 3.39Å; K168-V172 PolarHBondContact O-N 2.8Å
169	P	85.9	Confident	85	Confident	76 Å²	76	39.5 Å²	39.5	49%	0.494	21%	0.21	S	C	.	.	H	α-helix	trans	-54.9	-40.7	178.5	-27.5	35.6	0	0	0	113.5	E171 V172 V173	P169-E171 VanDerWaalsContact C-N 3.34Å; P169-E171 PolarHBondContact O-N 3.45Å; P169-V172 PolarHBondContact O-N 3.03Å; P169-V173 VanDerWaalsContact O-CG2 3.26Å; P169-V173 WeakPolarHBondContact O-CG2 3.04Å; P169-V173 PolarHBondContact O-N 2.67Å
170	T	85.2	Confident	83.9	Confident	98 Å²	98	40.5 Å²	40.5	60%	0.601	22%	0.216	S	C	*	.	H	α-helix	trans	-64.2	-36.1	-179.2	53.1	0	0	0	0	113.1	K168	K168-T170 VanDerWaalsContact C-N 3.27Å; K168-T170 PolarHBondContact O-N 3.28Å
171	E	85.5	Confident	82.3	Confident	38 Å²	38	45.7 Å²	45.7	18%	0.178	24%	0.235	C	C	.	.	H	α-helix	trans	-78.6	-39.9	179	-64	-66.1	101.1	0	0	111.1	K165 K168 P169 V173 K174	K165-E171 HydrophobicContact CD-CG 4.38Å; K165-E171 VanDerWaalsContact CD-OE2 3.31Å; K165-E171 WeakPolarHBondContact CD-OE2 3.3Å; K165-E171 IonicContact NZ-OE2 3.15Å; K165-E171 PolarHBondContact NZ-OE2 3.26Å; K165-E171 WeakPolarHBondContact O-CB 3.41Å; K168-E171 HydrophobicContact CB-CB 4.18Å; K168-E171 HydrophobicContact CB-CG 3.99Å; K168-E171 HydrophobicContact CD-CG 4.35Å; K168-E171 PolarHBondContact O-N 3.02Å; P169-E171 VanDerWaalsContact C-N 3.34Å; P169-E171 PolarHBondContact O-N 3.45Å; E171-V173 VanDerWaalsContact C-N 3.35Å; E171-V173 PolarHBondContact O-N 2.77Å; E171-K174 WeakPolarHBondContact O-CB 3.43Å; E171-K174 PolarHBondContact O-N 3.47Å; E171-K174 WeakPolarHBondContact OE1-CE 3.25Å; E171-K174 IonicContact OE1-NZ 2.69Å; E171-K174 PolarHBondContact OE1-NZ 3.29Å
172	V	84.3	Confident	81.3	Confident	6 Å²	6	48.7 Å²	48.7	4%	0.036	25%	0.247	C	C	.	.	H	α-helix	trans	-67.7	-35.8	-179.8	173.9	0	0	0	0	111.7	L166 K168 P169 K174 L175 R467 L471	L166-V172 VanDerWaalsContact O-CG2 3.3Å; L166-V172 WeakPolarHBondContact O-CG2 3.34Å; K168-V172 WeakPolarHBondContact O-CG2 3.39Å; K168-V172 PolarHBondContact O-N 2.8Å; P169-V172 PolarHBondContact O-N 3.03Å; V172-K174 PolarHBondContact O-N 3.4Å; V172-L175 VanDerWaalsContact O-CB 3.25Å; V172-L175 WeakPolarHBondContact O-CB 3.37Å; V172-L175 PolarHBondContact O-N 3.09Å; V172-R467 HydrophobicContact CB-CB 4.43Å; V172-R467 HydrophobicContact CG1-CB 4.19Å; V172-R467 HydrophobicContact CG2-CB 3.91Å; V172-L471 HydrophobicContact CG1-CB 4.27Å; V172-L471 HydrophobicContact CG1-CD2 3.83Å; V172-L471 WeakPolarHBondContact O-CD2 3.2Å
173	V	81.5	Confident	80.7	Confident	40 Å²	40	53.4 Å²	53.4	24%	0.242	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-31.3	174.4	169.8	0	0	0	0	111.8	P169 E171 L175 D176 E370	P169-V173 VanDerWaalsContact O-CG2 3.26Å; P169-V173 WeakPolarHBondContact O-CG2 3.04Å; P169-V173 PolarHBondContact O-N 2.67Å; E171-V173 VanDerWaalsContact C-N 3.35Å; E171-V173 PolarHBondContact O-N 2.77Å; V173-L175 PolarHBondContact O-N 2.7Å; V173-D176 WeakPolarHBondContact O-CB 3.19Å; V173-D176 PolarHBondContact O-N 3.36Å; V173-D176 VanDerWaalsContact O-N 3.12Å; V173-E370 WeakPolarHBondContact CG1-OE1 3.39Å
174	K	81.4	Confident	80.4	Confident	107 Å²	107	50 Å²	50	47%	0.465	25%	0.254	S	S	.	.	H	α-helix	trans	-62.8	-25.5	173.6	-63	172.2	177.4	174.8	0	112.6	E171 V172 D176 G177 D300	E171-K174 WeakPolarHBondContact O-CB 3.43Å; E171-K174 PolarHBondContact O-N 3.47Å; E171-K174 WeakPolarHBondContact OE1-CE 3.25Å; E171-K174 IonicContact OE1-NZ 2.69Å; E171-K174 PolarHBondContact OE1-NZ 3.29Å; V172-K174 PolarHBondContact O-N 3.4Å; K174-D176 VanDerWaalsContact C-N 3.31Å; K174-G177 PolarHBondContact O-N 3.02Å; K174-D300 IonicContact NZ-OD1 2.84Å
175	L	79.1	Confident	80.5	Confident	16 Å²	16	45.7 Å²	45.7	8%	0.084	23%	0.234	C	C	.	.	H	α-helix	trans	-72.2	-25.8	177.7	-55.8	175.6	0	0	0	112.3	V172 V173 G177 K178 I179 I219 L468	V172-L175 VanDerWaalsContact O-CB 3.25Å; V172-L175 WeakPolarHBondContact O-CB 3.37Å; V172-L175 PolarHBondContact O-N 3.09Å; V173-L175 PolarHBondContact O-N 2.7Å; L175-G177 VanDerWaalsContact C-N 3.27Å; L175-G177 PolarHBondContact O-N 3.16Å; L175-K178 PolarHBondContact O-N 3.13Å; L175-K178 VanDerWaalsContact O-N 3.09Å; L175-I179 WeakPolarHBondContact O-CG1 3.48Å; L175-I179 PolarHBondContact O-N 3.14Å; L175-I219 HydrophobicContact CD1-CG2 4.12Å; L175-I219 HydrophobicContact CD2-CG2 4.29Å; L175-L468 HydrophobicContact CD1-CD1 3.9Å
176	D	76.8	Confident	80.5	Confident	13 Å²	13	47.6 Å²	47.6	7%	0.07	24%	0.244	C	C	.	.	H	α-helix	trans	-55.5	-45.5	171.3	174.5	55.4	0	0	0	111	V173 K174 K178 I179 N180 C368 G369 L471 L475	V173-D176 WeakPolarHBondContact O-CB 3.19Å; V173-D176 PolarHBondContact O-N 3.36Å; V173-D176 VanDerWaalsContact O-N 3.12Å; K174-D176 VanDerWaalsContact C-N 3.31Å; D176-K178 VanDerWaalsContact C-N 3.27Å; D176-K178 PolarHBondContact O-N 3.19Å; D176-I179 PolarHBondContact O-N 3.41Å; D176-I179 VanDerWaalsContact O-N 3.11Å; D176-N180 WeakPolarHBondContact O-CB 3.3Å; D176-N180 PolarHBondContact O-N 3.02Å; D176-N180 PolarHBondContact OD1-ND2 3.15Å; D176-C368 WeakPolarHBondContact OD2-CA 3.5Å; D176-C368 VanDerWaalsContact OD2-CB 3.3Å; D176-C368 WeakPolarHBondContact OD2-CB 3.38Å; D176-G369 PolarHBondContact OD1-N 3.41Å; D176-G369 PolarHBondContact OD2-N 3.45Å; D176-L471 HydrophobicContact CB-CD2 4.29Å; D176-L475 WeakPolarHBondContact OD1-CD1 3.15Å
177	G	71.3	Confident	80.6	Confident	23 Å²	23	49.3 Å²	49.3	24%	0.237	25%	0.253	C	S	.	.	H	α-helix	trans	-51.5	-47.2	173.9	0	0	0	0	0	111.5	K174 L175 Q181	K174-G177 PolarHBondContact O-N 3.02Å; L175-G177 VanDerWaalsContact C-N 3.27Å; L175-G177 PolarHBondContact O-N 3.16Å; G177-Q181 WeakPolarHBondContact O-CA 3.47Å; G177-Q181 WeakPolarHBondContact O-CB 3.42Å; G177-Q181 WeakPolarHBondContact O-CG 3.36Å; G177-Q181 PolarHBondContact O-N 3.35Å
178	K	71.4	Confident	80.7	Confident	43 Å²	43	48 Å²	48	19%	0.187	25%	0.246	C	C	.	.	H	α-helix	trans	-67.3	-42.1	178.2	-65.6	-167.2	177.4	-165.9	0	112.8	L175 D176 K182	L175-K178 PolarHBondContact O-N 3.13Å; L175-K178 VanDerWaalsContact O-N 3.09Å; D176-K178 VanDerWaalsContact C-N 3.27Å; D176-K178 PolarHBondContact O-N 3.19Å; K178-K182 WeakPolarHBondContact O-CB 3.21Å; K178-K182 PolarHBondContact O-N 2.99Å; K178-K182 VanDerWaalsContact O-N 3.13Å
179	I	73.9	Confident	80.8	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-62.6	-47.3	-179.7	-66.5	164.9	0	0	0	110.6	L175 D176 Q183 V184 L185 T215 I219 Q472	L175-I179 WeakPolarHBondContact O-CG1 3.48Å; L175-I179 PolarHBondContact O-N 3.14Å; D176-I179 PolarHBondContact O-N 3.41Å; D176-I179 VanDerWaalsContact O-N 3.11Å; I179-Q183 PolarHBondContact O-N 3.35Å; I179-V184 PolarHBondContact O-N 2.85Å; I179-L185 HydrophobicContact CG2-CD1 3.82Å; I179-L185 HydrophobicContact CG2-CG 3.94Å; I179-T215 HydrophobicContact CD1-CG2 4.31Å; I179-T215 HydrophobicContact CG1-CG2 4.24Å; I179-I219 HydrophobicContact CD1-CD1 4.21Å; I179-I219 HydrophobicContact CG1-CD1 4.39Å; I179-Q472 HydrophobicContact CD1-CG 4.38Å
180	N	70.2	Confident	81	Confident	31 Å²	31	44.7 Å²	44.7	17%	0.166	23%	0.229	C	C	.	.	H	α-helix	trans	-77.9	-43.7	-178.8	-77.4	-18.4	0	0	0	112.7	D176 K182 Q183 P367	D176-N180 WeakPolarHBondContact O-CB 3.3Å; D176-N180 PolarHBondContact O-N 3.02Å; D176-N180 PolarHBondContact OD1-ND2 3.15Å; N180-K182 VanDerWaalsContact C-N 3.26Å; N180-K182 PolarHBondContact O-N 3.07Å; N180-Q183 WeakPolarHBondContact O-CA 3.43Å; N180-Q183 PolarHBondContact O-N 3.41Å; N180-P367 PolarHBondContact ND2-O 2.72Å
181	Q	60.8	Low	81.3	Confident	155 Å²	155	41.5 Å²	41.5	72%	0.724	21%	0.206	S	C	*	.	H	α-helix	trans	-60.9	-36	178.3	-74.1	165.9	6.5	0	0	112.2	G177 Q183	G177-Q181 WeakPolarHBondContact O-CA 3.47Å; G177-Q181 WeakPolarHBondContact O-CB 3.42Å; G177-Q181 WeakPolarHBondContact O-CG 3.36Å; G177-Q181 PolarHBondContact O-N 3.35Å; Q181-Q183 VanDerWaalsContact C-N 3.26Å
182	K	69.3	Low	81.7	Confident	69 Å²	69	39.8 Å²	39.8	30%	0.3	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	16.5	176.3	-64.8	-176	171.7	178.9	0	112.5	K178 N180 V184 L218 D222 R224	K178-K182 WeakPolarHBondContact O-CB 3.21Å; K178-K182 PolarHBondContact O-N 2.99Å; K178-K182 VanDerWaalsContact O-N 3.13Å; N180-K182 VanDerWaalsContact C-N 3.26Å; N180-K182 PolarHBondContact O-N 3.07Å; K182-V184 PolarHBondContact O-N 2.92Å; K182-L218 HydrophobicContact CB-CD1 4.44Å; K182-L218 HydrophobicContact CB-CD2 3.83Å; K182-L218 HydrophobicContact CD-CD1 3.2Å; K182-L218 HydrophobicContact CD-CD2 3.94Å; K182-L218 HydrophobicContact CD-CG 4.08Å; K182-L218 HydrophobicContact CG-CD1 4.41Å; K182-L218 HydrophobicContact CG-CD2 4.42Å; K182-D222 PolarHBondContact NZ-O 3.39Å; K182-D222 IonicContact NZ-OD1 3.78Å; K182-D222 PolarHBondContact NZ-OD1 3.29Å; K182-D222 IonicContact NZ-OD2 3.43Å; K182-D222 PolarHBondContact NZ-OD2 3.06Å; K182-R224 PolarHBondContact O-NH1 3.47Å
183	Q	80.1	Confident	82	Confident	101 Å²	101	41 Å²	41	47%	0.472	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	26.9	166.4	-60.1	-178.9	3.8	0	0	115.4	I179 N180 Q181 L185 M186 D187	I179-Q183 PolarHBondContact O-N 3.35Å; N180-Q183 WeakPolarHBondContact O-CA 3.43Å; N180-Q183 PolarHBondContact O-N 3.41Å; Q181-Q183 VanDerWaalsContact C-N 3.26Å; Q183-L185 VanDerWaalsContact C-N 3.31Å; Q183-L185 PolarHBondContact O-N 3.48Å; Q183-M186 HydrophobicContact CB-CB 4.23Å; Q183-M186 HydrophobicContact CB-SD 4.22Å; Q183-M186 HydrophobicContact CG-SD 3.85Å; Q183-M186 PolarHBondContact O-N 3.47Å; Q183-D187 WeakPolarHBondContact O-CB 3.41Å; Q183-D187 PolarHBondContact O-N 2.96Å
184	V	86.6	Confident	82.4	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-39	-176.3	179.9	0	0	0	0	111.5	I179 K182 F188 E214 T215 L218 L228	I179-V184 PolarHBondContact O-N 2.85Å; K182-V184 PolarHBondContact O-N 2.92Å; V184-F188 VanDerWaalsContact O-CB 3.31Å; V184-F188 WeakPolarHBondContact O-CB 3.41Å; V184-F188 PolarHBondContact O-N 3.3Å; V184-E214 HydrophobicContact CG1-CB 4.37Å; V184-E214 HydrophobicContact CG1-CG 4.19Å; V184-T215 WeakPolarHBondContact CG1-OG1 3.48Å; V184-L218 HydrophobicContact CG2-CD2 3.62Å; V184-L228 HydrophobicContact CG1-CD1 3.98Å; V184-L228 WeakPolarHBondContact O-CD1 3.44Å
185	L	88.3	Confident	82.8	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-73.9	-37.2	179.5	-69.1	172.8	0	0	0	112.4	I179 Q183 F188 V189 W211 L475 A476 W479	I179-L185 HydrophobicContact CG2-CD1 3.82Å; I179-L185 HydrophobicContact CG2-CG 3.94Å; Q183-L185 VanDerWaalsContact C-N 3.31Å; Q183-L185 PolarHBondContact O-N 3.48Å; L185-F188 PolarHBondContact O-N 2.92Å; L185-V189 VanDerWaalsContact O-CG2 3.31Å; L185-V189 WeakPolarHBondContact O-CG2 3.39Å; L185-V189 PolarHBondContact O-N 2.74Å; L185-W211 HydrophobicContact CD2-CZ2 4.39Å; L185-L475 HydrophobicContact CD1-CB 3.55Å; L185-L475 HydrophobicContact CD1-CD1 4.33Å; L185-L475 HydrophobicContact CD1-CG 4.49Å; L185-A476 HydrophobicContact CD2-CB 3.65Å; L185-W479 HydrophobicContact CB-CD2 4.27Å; L185-W479 HydrophobicContact CB-CG 4.21Å
186	M	88	Confident	83.4	Confident	60 Å²	60	43.9 Å²	43.9	30%	0.296	23%	0.228	S	C	.	.	H	α-helix	trans	-61.7	-51.9	172.7	-69	175.1	71.4	0	0	110.7	Q183 F188 V189 D190 W479	Q183-M186 HydrophobicContact CB-CB 4.23Å; Q183-M186 HydrophobicContact CB-SD 4.22Å; Q183-M186 HydrophobicContact CG-SD 3.85Å; Q183-M186 PolarHBondContact O-N 3.47Å; M186-F188 PolarHBondContact O-N 2.73Å; M186-V189 PolarHBondContact O-N 3.45Å; M186-V189 VanDerWaalsContact O-N 3.12Å; M186-D190 WeakPolarHBondContact O-CB 3.42Å; M186-D190 PolarHBondContact O-N 3.37Å; M186-W479 HydrophobicContact CB-CH2 4.44Å; M186-W479 HydrophobicContact CB-CZ3 4.48Å; M186-W479 HydrophobicContact CG-CH2 3.17Å; M186-W479 HydrophobicContact CG-CZ2 3.89Å; M186-W479 HydrophobicContact CG-CZ3 3.55Å; M186-W479 HydrophobicContact SD-CH2 4.03Å
187	D	91.7	Very high	83.9	Confident	39 Å²	39	48.9 Å²	48.9	21%	0.209	25%	0.254	C	S	.	.	H	α-helix	trans	-55.9	-38.4	176.5	-71.3	-20.4	0	0	0	111.4	Q183 R191 R224 L228	Q183-D187 WeakPolarHBondContact O-CB 3.41Å; Q183-D187 PolarHBondContact O-N 2.96Å; D187-R191 WeakPolarHBondContact O-CB 3.41Å; D187-R191 PolarHBondContact O-N 2.78Å; D187-R224 IonicContact OD2-CZ 3.99Å; D187-R224 IonicContact OD2-NH1 3.5Å; D187-R224 PolarHBondContact OD2-NH1 2.88Å; D187-R224 IonicContact OD2-NH2 2.96Å; D187-R224 PolarHBondContact OD2-NH2 3.16Å; D187-L228 HydrophobicContact CB-CB 4.17Å; D187-L228 HydrophobicContact CB-CD1 4Å
188	F	92.8	Very high	84.7	Confident	1 Å²	1	55.3 Å²	55.3	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-67.7	-47.6	177.2	174.3	-119.5	0	0	0	112.2	V184 L185 M186 D190 R191 I192 L208 W211 L228 L480	V184-F188 VanDerWaalsContact O-CB 3.31Å; V184-F188 WeakPolarHBondContact O-CB 3.41Å; V184-F188 PolarHBondContact O-N 3.3Å; L185-F188 PolarHBondContact O-N 2.92Å; M186-F188 PolarHBondContact O-N 2.73Å; F188-D190 VanDerWaalsContact C-N 3.34Å; F188-D190 PolarHBondContact O-N 2.94Å; F188-R191 WeakPolarHBondContact O-CB 3.4Å; F188-R191 PolarHBondContact O-N 2.94Å; F188-I192 HydrophobicContact CD2-CG1 4.2Å; F188-I192 HydrophobicContact CE1-CG1 4.31Å; F188-I192 HydrophobicContact CE2-CD1 3.7Å; F188-I192 HydrophobicContact CE2-CG1 3.75Å; F188-I192 HydrophobicContact CZ-CD1 3.8Å; F188-I192 HydrophobicContact CZ-CG1 3.79Å; F188-I192 VanDerWaalsContact O-CG1 3.3Å; F188-I192 WeakPolarHBondContact O-CG1 3.44Å; F188-I192 PolarHBondContact O-N 3.17Å; F188-L208 HydrophobicContact CE2-CD2 4.18Å; F188-L208 HydrophobicContact CZ-CD2 3.58Å; F188-W211 HydrophobicContact CB-CG 4.4Å; F188-W211 AromaticContact CD1-CD1 3.92Å; F188-W211 HydrophobicContact CD1-CG 4.05Å; F188-W211 HydrophobicContact CD2-CB 3.53Å; F188-W211 AromaticContact CD2-CG 3.93Å; F188-W211 HydrophobicContact CD2-CG 3.93Å; F188-W211 HydrophobicContact CE1-CD2 4.48Å; F188-W211 HydrophobicContact CE1-CG 4.33Å; F188-W211 HydrophobicContact CE2-CB 3.76Å; F188-W211 HydrophobicContact CE2-CG 4.21Å; F188-W211 HydrophobicContact CG-CB 3.96Å; F188-W211 AromaticContact CG-CD1 3.71Å; F188-W211 AromaticContact CG-CG 3.85Å; F188-W211 HydrophobicContact CG-CG 3.85Å; F188-W211 HydrophobicContact CZ-CB 4.39Å; F188-W211 HydrophobicContact CZ-CG 4.42Å; F188-L228 HydrophobicContact CB-CD1 4.02Å; F188-L228 HydrophobicContact CD2-CD2 4.33Å; F188-L480 HydrophobicContact CE1-CD1 4.1Å; F188-L480 HydrophobicContact CE1-CD2 4.05Å; F188-L480 HydrophobicContact CE1-CG 4.25Å
189	V	91.6	Very high	85.5	Confident	6 Å²	6	53.6 Å²	53.6	4%	0.036	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-41.7	177.5	167.3	0	0	0	0	111.8	L185 M186 I192 G193 W479 D483 Y484	L185-V189 VanDerWaalsContact O-CG2 3.31Å; L185-V189 WeakPolarHBondContact O-CG2 3.39Å; L185-V189 PolarHBondContact O-N 2.74Å; M186-V189 PolarHBondContact O-N 3.45Å; M186-V189 VanDerWaalsContact O-N 3.12Å; V189-I192 WeakPolarHBondContact O-CB 3.48Å; V189-I192 PolarHBondContact O-N 2.77Å; V189-G193 PolarHBondContact O-N 3.15Å; V189-W479 HydrophobicContact CG2-CB 3.89Å; V189-W479 HydrophobicContact CG2-CE3 4.05Å; V189-D483 HydrophobicContact CG1-CB 4.31Å; V189-D483 WeakPolarHBondContact CG1-OD2 3.4Å; V189-Y484 HydrophobicContact CG1-CE2 3.98Å; V189-Y484 PolarHBondContact O-OH 2.62Å
190	D	91.3	Very high	86.4	Confident	87 Å²	87	59.2 Å²	59.2	47%	0.465	30%	0.302	S	S	.	.	H	α-helix	trans	-64.9	-42.8	175.3	-77.6	-17.4	0	0	0	111	M186 F188 I192 G193 K194	M186-D190 WeakPolarHBondContact O-CB 3.42Å; M186-D190 PolarHBondContact O-N 3.37Å; F188-D190 VanDerWaalsContact C-N 3.34Å; F188-D190 PolarHBondContact O-N 2.94Å; D190-I192 PolarHBondContact O-N 2.89Å; D190-G193 PolarHBondContact O-N 2.97Å; D190-G193 VanDerWaalsContact O-N 3.12Å; D190-K194 WeakPolarHBondContact O-CG 3.43Å; D190-K194 PolarHBondContact O-N 2.85Å
191	R	91.8	Very high	87.6	Confident	30 Å²	30	58.3 Å²	58.3	11%	0.113	30%	0.298	C	S	.	.	H	α-helix	trans	-60.2	-46	175.4	-177	177.1	-176	76.7	14.3	111.6	D187 F188 G193 K194 V195 E207 K210 L228 Q229	D187-R191 WeakPolarHBondContact O-CB 3.41Å; D187-R191 PolarHBondContact O-N 2.78Å; F188-R191 WeakPolarHBondContact O-CB 3.4Å; F188-R191 PolarHBondContact O-N 2.94Å; R191-G193 PolarHBondContact O-N 2.83Å; R191-K194 PolarHBondContact O-N 2.92Å; R191-V195 HydrophobicContact CG-CG1 4.06Å; R191-V195 WeakPolarHBondContact O-CG2 3.46Å; R191-V195 PolarHBondContact O-N 3.29Å; R191-E207 IonicContact CZ-OE2 2.67Å; R191-E207 IonicContact NE-OE2 3.09Å; R191-E207 PolarHBondContact NE-OE2 2.68Å; R191-E207 IonicContact NH2-OE1 2.63Å; R191-E207 PolarHBondContact NH2-OE1 2.91Å; R191-E207 IonicContact NH2-OE2 3.03Å; R191-E207 PolarHBondContact NH2-OE2 3.13Å; R191-E207 VanDerWaalsContact NH2-OE2 3.13Å; R191-K210 VanDerWaalsContact NH2-NZ 3.11Å; R191-L228 WeakPolarHBondContact CD-O 3.33Å; R191-L228 PolarHBondContact NH1-O 3.3Å; R191-Q229 PolarHBondContact NH1-O 2.64Å
192	I	92.8	Very high	89	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-52.6	-42.6	174.1	-71.4	-64.9	0	0	0	110.4	F188 V189 D190 S196 I201 L204 L480 Y484 F512	F188-I192 HydrophobicContact CD2-CG1 4.2Å; F188-I192 HydrophobicContact CE1-CG1 4.31Å; F188-I192 HydrophobicContact CE2-CD1 3.7Å; F188-I192 HydrophobicContact CE2-CG1 3.75Å; F188-I192 HydrophobicContact CZ-CD1 3.8Å; F188-I192 HydrophobicContact CZ-CG1 3.79Å; F188-I192 VanDerWaalsContact O-CG1 3.3Å; F188-I192 WeakPolarHBondContact O-CG1 3.44Å; F188-I192 PolarHBondContact O-N 3.17Å; V189-I192 WeakPolarHBondContact O-CB 3.48Å; V189-I192 PolarHBondContact O-N 2.77Å; D190-I192 PolarHBondContact O-N 2.89Å; I192-S196 WeakPolarHBondContact O-CB 3.48Å; I192-S196 PolarHBondContact O-N 3.3Å; I192-I201 HydrophobicContact CB-CD1 4.34Å; I192-I201 HydrophobicContact CD1-CD1 3.38Å; I192-I201 HydrophobicContact CG1-CD1 4.41Å; I192-I201 HydrophobicContact CG2-CD1 3.95Å; I192-L204 HydrophobicContact CD1-CD1 4.39Å; I192-L480 HydrophobicContact CG1-CD2 4.33Å; I192-Y484 HydrophobicContact CG2-CD2 4.39Å; I192-Y484 HydrophobicContact CG2-CE1 4.46Å; I192-Y484 HydrophobicContact CG2-CE2 3.85Å; I192-F512 HydrophobicContact CG2-CB 4.34Å; I192-F512 HydrophobicContact CG2-CD1 4.19Å; I192-F512 HydrophobicContact CG2-CG 4.11Å
193	G	90.4	Very high	90.1	Very high	32 Å²	32	59.8 Å²	59.8	33%	0.33	31%	0.308	S	S	.	.	H	α-helix	trans	-65.8	-38.2	176.1	0	0	0	0	0	113.9	V189 D190 R191 Y484	V189-G193 PolarHBondContact O-N 3.15Å; D190-G193 PolarHBondContact O-N 2.97Å; D190-G193 VanDerWaalsContact O-N 3.12Å; R191-G193 PolarHBondContact O-N 2.83Å; G193-Y484 WeakPolarHBondContact CA-OH 3.37Å; G193-Y484 PolarHBondContact N-OH 3.3Å; G193-Y484 VanDerWaalsContact N-OH 3.15Å
194	K	91.1	Very high	90.8	Very high	145 Å²	145	55.1 Å²	55.1	63%	0.63	29%	0.286	S	S	*	.	H	α-helix	trans	-74.6	-40.9	-179.8	-71.3	-178.8	174.3	-166.5	0	113.8	D190 R191 S196 E230	D190-K194 WeakPolarHBondContact O-CG 3.43Å; D190-K194 PolarHBondContact O-N 2.85Å; R191-K194 PolarHBondContact O-N 2.92Å; K194-S196 VanDerWaalsContact C-N 3.31Å; K194-E230 IonicContact NZ-OE1 3.04Å; K194-E230 PolarHBondContact NZ-OE1 3.22Å
195	V	90.3	Very high	91.1	Very high	50 Å²	50	57.2 Å²	57.2	30%	0.303	29%	0.294	S	S	.	.	H	α-helix	trans	-85.2	-9.3	-177.6	-55.9	0	0	0	0	112.7	R191 I201 E207	R191-V195 HydrophobicContact CG-CG1 4.06Å; R191-V195 WeakPolarHBondContact O-CG2 3.46Å; R191-V195 PolarHBondContact O-N 3.29Å; V195-I201 HydrophobicContact CG2-CD1 4.02Å; V195-I201 HydrophobicContact CG2-CG1 4.11Å; V195-I201 HydrophobicContact CG2-CG2 3.89Å; V195-E207 HydrophobicContact CG2-CG 4.46Å
196	S	89.9	Confident	91.2	Very high	28 Å²	28	59.6 Å²	59.6	20%	0.196	31%	0.305	C	S	.	.			trans	-75.6	125.6	176.3	174.8	0	0	0	0	111.2	I192 K194 G199 K200	I192-S196 WeakPolarHBondContact O-CB 3.48Å; I192-S196 PolarHBondContact O-N 3.3Å; K194-S196 VanDerWaalsContact C-N 3.31Å; S196-G199 WeakPolarHBondContact OG-CA 3.39Å; S196-G199 PolarHBondContact OG-N 3.48Å; S196-G199 VanDerWaalsContact OG-N 3.12Å; S196-G199 PolarHBondContact OG-O 3.25Å; S196-K200 CarbonylContact C-O 3.54Å; S196-K200 WeakPolarHBondContact CA-O 3.45Å
197	N	89.3	Confident	91.5	Very high	118 Å²	118	57.4 Å²	57.4	63%	0.631	29%	0.294	S	S	*	.	B	Isolated β-bridge	trans	-111.5	112	170	-176.6	9.2	0	0	0	109.1	G199 K200	N197-G199 PolarHBondContact O-N 2.9Å; N197-K200 PolarHBondContact N-O 3.47Å; N197-K200 PolarHBondContact O-N 2.93Å
198	N	86.6	Confident	91.6	Very high	158 Å²	158	55.6 Å²	55.6	85%	0.845	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	37.9	-172.1	-63.9	-28.4	0	0	0	113.1	K200	N198-K200 VanDerWaalsContact C-N 3.28Å; N198-K200 PolarHBondContact O-N 3.32Å
199	G	88.8	Confident	91.6	Very high	8 Å²	8	57 Å²	57	8%	0.082	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	-18.4	-177.5	0	0	0	0	0	114.4	S196 N197 A511 F512	S196-G199 WeakPolarHBondContact OG-CA 3.39Å; S196-G199 PolarHBondContact OG-N 3.48Å; S196-G199 VanDerWaalsContact OG-N 3.12Å; S196-G199 PolarHBondContact OG-O 3.25Å; N197-G199 PolarHBondContact O-N 2.9Å; G199-A511 CarbonylContact O-C 3.54Å; G199-A511 WeakPolarHBondContact O-CA 3.4Å; G199-A511 WeakPolarHBondContact O-CB 3.23Å; G199-F512 VanDerWaalsContact CA-O 3.26Å; G199-F512 WeakPolarHBondContact CA-O 3.41Å; G199-F512 PolarHBondContact O-N 3.42Å
200	K	93.1	Very high	91.6	Very high	119 Å²	119	57.4 Å²	57.4	52%	0.517	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-90.6	141	-176.8	-64.6	-177.4	179.7	-176.9	0	111.2	S196 N197 N198 T489 A511	S196-K200 CarbonylContact C-O 3.54Å; S196-K200 WeakPolarHBondContact CA-O 3.45Å; N197-K200 PolarHBondContact N-O 3.47Å; N197-K200 PolarHBondContact O-N 2.93Å; N198-K200 VanDerWaalsContact C-N 3.28Å; N198-K200 PolarHBondContact O-N 3.32Å; K200-T489 HydrophobicContact CG-CG2 4.3Å; K200-A511 HydrophobicContact CG-CB 4.14Å
201	I	94.1	Very high	91.7	Very high	13 Å²	13	53.3 Å²	53.3	7%	0.067	27%	0.271	C	S	.	.			trans	-112.8	128.7	175.7	-62.8	178.9	0	0	0	107.8	I192 V195 L204 E207 F512	I192-I201 HydrophobicContact CB-CD1 4.34Å; I192-I201 HydrophobicContact CD1-CD1 3.38Å; I192-I201 HydrophobicContact CG1-CD1 4.41Å; I192-I201 HydrophobicContact CG2-CD1 3.95Å; V195-I201 HydrophobicContact CG2-CD1 4.02Å; V195-I201 HydrophobicContact CG2-CG1 4.11Å; V195-I201 HydrophobicContact CG2-CG2 3.89Å; I201-L204 HydrophobicContact CB-CD1 4.46Å; I201-L204 HydrophobicContact CD1-CD1 4.16Å; I201-L204 HydrophobicContact CG2-CB 4.46Å; I201-L204 HydrophobicContact CG2-CD1 4.4Å; I201-E207 HydrophobicContact CG2-CG 4.03Å; I201-F512 HydrophobicContact CD1-CD2 3.88Å; I201-F512 HydrophobicContact CD1-CE2 3.93Å; I201-F512 HydrophobicContact CG1-CD2 4.36Å
202	E	91.3	Very high	91.8	Very high	182 Å²	182	51.9 Å²	51.9	85%	0.85	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	126.4	171.5	-172.9	174.8	-170.3	0	0	109.4
203	D	91.7	Very high	91.8	Very high	73 Å²	73	52 Å²	52	39%	0.39	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	63.6	-176	-163.4	-13.4	0	0	0	112.6	Y205 F206 E207	D203-Y205 PolarHBondContact O-N 3.03Å; D203-Y205 VanDerWaalsContact O-N 3.15Å; D203-F206 HydrophobicContact CB-CB 4.08Å; D203-F206 PolarHBondContact O-N 3.21Å; D203-F206 VanDerWaalsContact OD1-CB 3.28Å; D203-F206 WeakPolarHBondContact OD1-CB 3.42Å; D203-F206 PolarHBondContact OD1-N 3.44Å; D203-F206 WeakPolarHBondContact OD2-CB 3.45Å; D203-E207 PolarHBondContact O-N 3.1Å
204	L	95.3	Very high	91.9	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-55.9	-34.5	177.9	175.8	61.2	0	0	0	111.1	I192 I201 F206 E207 L208 L337 I340 E507 V510 F512	I192-L204 HydrophobicContact CD1-CD1 4.39Å; I201-L204 HydrophobicContact CB-CD1 4.46Å; I201-L204 HydrophobicContact CD1-CD1 4.16Å; I201-L204 HydrophobicContact CG2-CB 4.46Å; I201-L204 HydrophobicContact CG2-CD1 4.4Å; L204-F206 VanDerWaalsContact C-N 3.34Å; L204-F206 PolarHBondContact O-N 2.9Å; L204-E207 PolarHBondContact O-N 3.37Å; L204-L208 HydrophobicContact CD1-CD1 4.45Å; L204-L208 HydrophobicContact CD1-CG 4.17Å; L204-L208 HydrophobicContact CG-CD1 4.13Å; L204-L208 HydrophobicContact CG-CG 4.29Å; L204-L208 VanDerWaalsContact O-CG 3.29Å; L204-L208 WeakPolarHBondContact O-CG 3.49Å; L204-L208 PolarHBondContact O-N 3.36Å; L204-L337 HydrophobicContact CB-CD1 4.45Å; L204-L337 HydrophobicContact CD2-CD1 3.98Å; L204-L337 HydrophobicContact CG-CD1 4.02Å; L204-I340 HydrophobicContact CD2-CG2 4.26Å; L204-E507 PolarHBondContact N-OE1 2.9Å; L204-V510 HydrophobicContact CD2-CG2 3.61Å; L204-F512 HydrophobicContact CD1-CE2 4Å; L204-F512 HydrophobicContact CD1-CZ 4.14Å; L204-F512 HydrophobicContact CD2-CE2 4.05Å; L204-F512 HydrophobicContact CD2-CZ 4.16Å
205	Y	93.6	Very high	91.9	Very high	44 Å²	44	43.6 Å²	43.6	17%	0.173	22%	0.22	C	C	.	.	H	α-helix	trans	-63.5	-39.9	179.5	-173.6	-136	0	0	0	112	D203 L208 N209 E330 A333 N334 L337 V503	D203-Y205 PolarHBondContact O-N 3.03Å; D203-Y205 VanDerWaalsContact O-N 3.15Å; Y205-L208 PolarHBondContact O-N 3.26Å; Y205-N209 WeakPolarHBondContact CD2-ND2 3.43Å; Y205-N209 VanDerWaalsContact CE2-ND2 3.33Å; Y205-N209 WeakPolarHBondContact CE2-ND2 3.49Å; Y205-N209 PolarHBondContact O-N 3.02Å; Y205-N209 PolarHBondContact O-ND2 3.43Å; Y205-E330 WeakPolarHBondContact OH-CG 3.25Å; Y205-E330 PolarHBondContact OH-OE1 3.21Å; Y205-A333 HydrophobicContact CE2-CB 4.45Å; Y205-N334 HydrophobicContact CE2-CB 3.88Å; Y205-L337 HydrophobicContact CD2-CD2 3.71Å; Y205-L337 HydrophobicContact CE2-CD2 4.34Å; Y205-L337 HydrophobicContact CG-CD2 4.08Å; Y205-V503 HydrophobicContact CE1-CG1 4.43Å
206	F	90.9	Very high	92	Very high	55 Å²	55	41.6 Å²	41.6	24%	0.241	21%	0.208	C	C	.	.	H	α-helix	trans	-64.3	-41.9	174.7	-178	-125.4	0	0	0	112.6	D203 L204 L208 N209 K210 M237	D203-F206 HydrophobicContact CB-CB 4.08Å; D203-F206 PolarHBondContact O-N 3.21Å; D203-F206 VanDerWaalsContact OD1-CB 3.28Å; D203-F206 WeakPolarHBondContact OD1-CB 3.42Å; D203-F206 PolarHBondContact OD1-N 3.44Å; D203-F206 WeakPolarHBondContact OD2-CB 3.45Å; L204-F206 VanDerWaalsContact C-N 3.34Å; L204-F206 PolarHBondContact O-N 2.9Å; F206-L208 PolarHBondContact O-N 2.87Å; F206-N209 WeakPolarHBondContact O-CB 3.49Å; F206-N209 PolarHBondContact O-N 2.8Å; F206-K210 HydrophobicContact CE1-CD 4.43Å; F206-K210 VanDerWaalsContact CE1-NZ 3.26Å; F206-K210 PolarHBondContact O-N 2.93Å; F206-M237 HydrophobicContact CZ-CE 4.48Å
207	E	92.8	Very high	92	Very high	14 Å²	14	40.2 Å²	40.2	7%	0.065	20%	0.198	C	C	.	.	H	α-helix	trans	-64.9	-38.6	176.7	-65.7	-58.8	147.8	0	0	112.3	R191 V195 I201 D203 L204 N209 K210 W211	R191-E207 IonicContact CZ-OE2 2.67Å; R191-E207 IonicContact NE-OE2 3.09Å; R191-E207 PolarHBondContact NE-OE2 2.68Å; R191-E207 IonicContact NH2-OE1 2.63Å; R191-E207 PolarHBondContact NH2-OE1 2.91Å; R191-E207 IonicContact NH2-OE2 3.03Å; R191-E207 PolarHBondContact NH2-OE2 3.13Å; R191-E207 VanDerWaalsContact NH2-OE2 3.13Å; V195-E207 HydrophobicContact CG2-CG 4.46Å; I201-E207 HydrophobicContact CG2-CG 4.03Å; D203-E207 PolarHBondContact O-N 3.1Å; L204-E207 PolarHBondContact O-N 3.37Å; E207-N209 VanDerWaalsContact C-N 3.34Å; E207-N209 PolarHBondContact O-N 2.97Å; E207-K210 WeakPolarHBondContact O-CB 3.38Å; E207-K210 PolarHBondContact O-N 3.43Å; E207-K210 IonicContact OE1-NZ 3.78Å; E207-K210 PolarHBondContact OE1-NZ 3.43Å; E207-K210 IonicContact OE2-NZ 3.41Å; E207-W211 PolarHBondContact O-N 3.3Å; E207-W211 VanDerWaalsContact O-N 3.13Å
208	L	95.3	Very high	92	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.8	-35.5	172.4	-67.7	178.5	0	0	0	112.7	F188 L204 Y205 F206 W211 S212 A333 M336 L337 I340	F188-L208 HydrophobicContact CE2-CD2 4.18Å; F188-L208 HydrophobicContact CZ-CD2 3.58Å; L204-L208 HydrophobicContact CD1-CD1 4.45Å; L204-L208 HydrophobicContact CD1-CG 4.17Å; L204-L208 HydrophobicContact CG-CD1 4.13Å; L204-L208 HydrophobicContact CG-CG 4.29Å; L204-L208 VanDerWaalsContact O-CG 3.29Å; L204-L208 WeakPolarHBondContact O-CG 3.49Å; L204-L208 PolarHBondContact O-N 3.36Å; Y205-L208 PolarHBondContact O-N 3.26Å; F206-L208 PolarHBondContact O-N 2.87Å; L208-W211 HydrophobicContact CD2-CE3 4.42Å; L208-W211 PolarHBondContact O-N 3.02Å; L208-S212 WeakPolarHBondContact O-CB 3.26Å; L208-S212 PolarHBondContact O-N 3.19Å; L208-A333 HydrophobicContact CB-CB 3.99Å; L208-A333 WeakPolarHBondContact O-CB 3.5Å; L208-M336 HydrophobicContact CD1-CB 4.32Å; L208-M336 HydrophobicContact CD1-CG 4.14Å; L208-M336 HydrophobicContact CD2-CB 4.4Å; L208-M336 HydrophobicContact CD2-CG 3.65Å; L208-M336 HydrophobicContact CG-CG 4.5Å; L208-L337 HydrophobicContact CD1-CB 3.71Å; L208-L337 HydrophobicContact CD1-CD1 3.7Å; L208-L337 HydrophobicContact CD1-CG 4.34Å; L208-I340 HydrophobicContact CD1-CD1 4.09Å; L208-I340 HydrophobicContact CD2-CD1 4.19Å
209	N	92.3	Very high	92.2	Very high	30 Å²	30	27.2 Å²	27.2	16%	0.16	13%	0.129	C	C	.	.	H	α-helix	trans	-65.6	-39	174.5	-87.5	-82.9	0	0	0	111.7	Y205 F206 E207 S212 F213 A333	Y205-N209 WeakPolarHBondContact CD2-ND2 3.43Å; Y205-N209 VanDerWaalsContact CE2-ND2 3.33Å; Y205-N209 WeakPolarHBondContact CE2-ND2 3.49Å; Y205-N209 PolarHBondContact O-N 3.02Å; Y205-N209 PolarHBondContact O-ND2 3.43Å; F206-N209 WeakPolarHBondContact O-CB 3.49Å; F206-N209 PolarHBondContact O-N 2.8Å; E207-N209 VanDerWaalsContact C-N 3.34Å; E207-N209 PolarHBondContact O-N 2.97Å; N209-S212 PolarHBondContact O-N 3.49Å; N209-F213 VanDerWaalsContact O-CB 3.23Å; N209-F213 WeakPolarHBondContact O-CB 3.32Å; N209-F213 PolarHBondContact O-N 2.68Å; N209-A333 HydrophobicContact CB-CB 4.42Å
210	K	91.7	Very high	92.3	Very high	15 Å²	15	26.9 Å²	26.9	7%	0.065	13%	0.125	C	C	.	.	H	α-helix	trans	-60.4	-48.2	173.6	-70.8	172.8	-175.2	169.5	0	111.5	R191 F206 E207 F213 E214 L227 L228	R191-K210 VanDerWaalsContact NH2-NZ 3.11Å; F206-K210 HydrophobicContact CE1-CD 4.43Å; F206-K210 VanDerWaalsContact CE1-NZ 3.26Å; F206-K210 PolarHBondContact O-N 2.93Å; E207-K210 WeakPolarHBondContact O-CB 3.38Å; E207-K210 PolarHBondContact O-N 3.43Å; E207-K210 IonicContact OE1-NZ 3.78Å; E207-K210 PolarHBondContact OE1-NZ 3.43Å; E207-K210 IonicContact OE2-NZ 3.41Å; K210-F213 PolarHBondContact O-N 3.44Å; K210-E214 WeakPolarHBondContact O-CB 3.48Å; K210-E214 PolarHBondContact O-N 3.13Å; K210-L227 HydrophobicContact CB-CB 4.1Å; K210-L227 HydrophobicContact CG-CB 4.35Å; K210-L228 HydrophobicContact CB-CD2 4.29Å
211	W	93.6	Very high	92.1	Very high	1 Å²	1	21.3 Å²	21.3	0%	0.004	10%	0.101	C	C	.	.	H	α-helix	trans	-58.4	-49.1	175.9	160.5	67.7	0	0	0	112.4	L185 F188 E207 L208 F213 E214 T215 L228 T332 M336 Q472 L473 A476	L185-W211 HydrophobicContact CD2-CZ2 4.39Å; F188-W211 HydrophobicContact CB-CG 4.4Å; F188-W211 AromaticContact CD1-CD1 3.92Å; F188-W211 HydrophobicContact CD1-CG 4.05Å; F188-W211 HydrophobicContact CD2-CB 3.53Å; F188-W211 AromaticContact CD2-CG 3.93Å; F188-W211 HydrophobicContact CD2-CG 3.93Å; F188-W211 HydrophobicContact CE1-CD2 4.48Å; F188-W211 HydrophobicContact CE1-CG 4.33Å; F188-W211 HydrophobicContact CE2-CB 3.76Å; F188-W211 HydrophobicContact CE2-CG 4.21Å; F188-W211 HydrophobicContact CG-CB 3.96Å; F188-W211 AromaticContact CG-CD1 3.71Å; F188-W211 AromaticContact CG-CG 3.85Å; F188-W211 HydrophobicContact CG-CG 3.85Å; F188-W211 HydrophobicContact CZ-CB 4.39Å; F188-W211 HydrophobicContact CZ-CG 4.42Å; E207-W211 PolarHBondContact O-N 3.3Å; E207-W211 VanDerWaalsContact O-N 3.13Å; L208-W211 HydrophobicContact CD2-CE3 4.42Å; L208-W211 PolarHBondContact O-N 3.02Å; W211-F213 VanDerWaalsContact C-N 3.29Å; W211-F213 PolarHBondContact O-N 2.76Å; W211-E214 PolarHBondContact O-N 3.37Å; W211-T215 PolarHBondContact NE1-OG1 3.49Å; W211-T215 WeakPolarHBondContact O-CB 3.18Å; W211-T215 PolarHBondContact O-N 2.89Å; W211-T215 PolarHBondContact O-OG1 3.11Å; W211-L228 HydrophobicContact CB-CD2 4.27Å; W211-T332 HydrophobicContact CH2-CG2 4.12Å; W211-T332 HydrophobicContact CZ3-CG2 4.3Å; W211-M336 HydrophobicContact CH2-CE 3.59Å; W211-M336 HydrophobicContact CZ2-CE 4.32Å; W211-M336 HydrophobicContact CZ3-CB 3.84Å; W211-M336 HydrophobicContact CZ3-CE 3.96Å; W211-M336 HydrophobicContact CZ3-CG 3.95Å; W211-Q472 HydrophobicContact CH2-CB 4.47Å; W211-Q472 HydrophobicContact CZ2-CB 4.3Å; W211-L473 HydrophobicContact CH2-CD2 4.47Å; W211-A476 HydrophobicContact CH2-CB 3.85Å; W211-A476 HydrophobicContact CZ2-CB 3.36Å
212	S	94.1	Very high	91.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.2	-36.4	-179.2	-171.5	0	0	0	0	111.9	L208 N209 I216 G328 V329 T332	L208-S212 WeakPolarHBondContact O-CB 3.26Å; L208-S212 PolarHBondContact O-N 3.19Å; N209-S212 PolarHBondContact O-N 3.49Å; S212-I216 WeakPolarHBondContact O-CG2 3.37Å; S212-I216 PolarHBondContact O-N 2.89Å; S212-G328 PolarHBondContact OG-O 3.33Å; S212-V329 WeakPolarHBondContact CB-O 3.31Å; S212-V329 WeakPolarHBondContact OG-CA 3.49Å; S212-V329 PolarHBondContact OG-O 3.41Å; S212-T332 WeakPolarHBondContact OG-CB 3.35Å
213	F	92	Very high	91.6	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.018	7%	0.074	C	C	.	.	H	α-helix	trans	-64.1	-51.6	174.4	-173.6	-81	0	0	0	111.9	N209 K210 W211 T215 I216 C217 F225 L227 A236 F239 I240 Q325 V329	N209-F213 VanDerWaalsContact O-CB 3.23Å; N209-F213 WeakPolarHBondContact O-CB 3.32Å; N209-F213 PolarHBondContact O-N 2.68Å; K210-F213 PolarHBondContact O-N 3.44Å; W211-F213 VanDerWaalsContact C-N 3.29Å; W211-F213 PolarHBondContact O-N 2.76Å; F213-T215 PolarHBondContact O-N 3.12Å; F213-I216 WeakPolarHBondContact O-CG2 3.38Å; F213-I216 PolarHBondContact O-N 2.99Å; F213-C217 HydrophobicContact CD1-CB 4.44Å; F213-C217 HydrophobicContact CE1-CB 4.36Å; F213-C217 WeakPolarHBondContact CE1-SG 3.35Å; F213-C217 VanDerWaalsContact CZ-SG 3.53Å; F213-C217 WeakPolarHBondContact O-CB 3.44Å; F213-C217 PolarHBondContact O-N 3.29Å; F213-C217 PolarHBondContact O-SG 3.07Å; F213-F225 HydrophobicContact CE1-CB 4.09Å; F213-F225 AromaticContact CE1-CD1 3.99Å; F213-F225 HydrophobicContact CE1-CD1 3.99Å; F213-F225 HydrophobicContact CE1-CD2 4.36Å; F213-F225 AromaticContact CE1-CG 3.87Å; F213-F225 HydrophobicContact CE1-CG 3.87Å; F213-L227 HydrophobicContact CB-CD1 3.75Å; F213-L227 HydrophobicContact CD1-CD1 3.18Å; F213-L227 HydrophobicContact CD1-CG 4.21Å; F213-L227 HydrophobicContact CE1-CD1 3.89Å; F213-L227 HydrophobicContact CG-CD1 3.6Å; F213-A236 HydrophobicContact CE1-CB 4.38Å; F213-F239 AromaticContact CE2-CD1 3.4Å; F213-F239 HydrophobicContact CE2-CD1 3.4Å; F213-F239 VanDerWaalsContact CE2-CD1 3.4Å; F213-F239 AromaticContact CE2-CE1 3.71Å; F213-F239 HydrophobicContact CE2-CE1 3.71Å; F213-F239 HydrophobicContact CE2-CG 4.38Å; F213-F239 AromaticContact CZ-CD1 3.74Å; F213-F239 HydrophobicContact CZ-CD1 3.74Å; F213-F239 HydrophobicContact CZ-CE1 4.28Å; F213-F239 HydrophobicContact CZ-CG 4.3Å; F213-I240 HydrophobicContact CD2-CD1 4.49Å; F213-I240 HydrophobicContact CD2-CG1 4.08Å; F213-I240 HydrophobicContact CE2-CG1 4.07Å; F213-Q325 VanDerWaalsContact CE2-NE2 3.31Å; F213-V329 HydrophobicContact CB-CG1 3.99Å; F213-V329 HydrophobicContact CB-CG2 4.25Å; F213-V329 HydrophobicContact CD2-CG1 4.32Å; F213-V329 HydrophobicContact CD2-CG2 3.83Å; F213-V329 HydrophobicContact CG-CG2 4.44Å
214	E	91.6	Very high	91.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-56.7	-43.7	179.4	-165.7	70.9	-166.8	0	0	110.5	V184 K210 W211 L218 R224 F225 G226 L227 L228	V184-E214 HydrophobicContact CG1-CB 4.37Å; V184-E214 HydrophobicContact CG1-CG 4.19Å; K210-E214 WeakPolarHBondContact O-CB 3.48Å; K210-E214 PolarHBondContact O-N 3.13Å; W211-E214 PolarHBondContact O-N 3.37Å; E214-L218 VanDerWaalsContact O-CB 3.31Å; E214-L218 WeakPolarHBondContact O-CB 3.39Å; E214-L218 PolarHBondContact O-N 3.03Å; E214-R224 WeakPolarHBondContact OE1-CA 2.95Å; E214-R224 WeakPolarHBondContact OE1-CB 3.41Å; E214-R224 IonicContact OE1-CZ 3.2Å; E214-R224 IonicContact OE1-NE 3.85Å; E214-R224 PolarHBondContact OE1-NE 3.06Å; E214-R224 IonicContact OE1-NH2 3.15Å; E214-F225 PolarHBondContact OE1-N 3.36Å; E214-F225 WeakPolarHBondContact OE2-CB 3.43Å; E214-F225 PolarHBondContact OE2-N 3.33Å; E214-G226 PolarHBondContact OE1-N 2.78Å; E214-G226 PolarHBondContact OE2-N 3Å; E214-G226 VanDerWaalsContact OE2-N 3.17Å; E214-L227 PolarHBondContact OE2-N 2.98Å; E214-L228 HydrophobicContact CB-CD1 4.32Å; E214-L228 HydrophobicContact CB-CG 4.32Å; E214-L228 HydrophobicContact CG-CD1 4.15Å; E214-L228 HydrophobicContact CG-CG 4.26Å
215	T	92	Very high	91	Very high	1 Å²	1	15 Å²	15	1%	0.006	7%	0.068	C	C	.	.	H	α-helix	trans	-66.1	-50.5	-179.5	-53.9	0	0	0	0	112.3	I179 V184 W211 F213 L218 I219 Q472	I179-T215 HydrophobicContact CD1-CG2 4.31Å; I179-T215 HydrophobicContact CG1-CG2 4.24Å; V184-T215 WeakPolarHBondContact CG1-OG1 3.48Å; W211-T215 PolarHBondContact NE1-OG1 3.49Å; W211-T215 WeakPolarHBondContact O-CB 3.18Å; W211-T215 PolarHBondContact O-N 2.89Å; W211-T215 PolarHBondContact O-OG1 3.11Å; F213-T215 PolarHBondContact O-N 3.12Å; T215-L218 WeakPolarHBondContact O-CB 3.27Å; T215-L218 PolarHBondContact O-N 2.64Å; T215-I219 HydrophobicContact CG2-CD1 4.07Å; T215-I219 WeakPolarHBondContact O-CD1 3.32Å; T215-I219 WeakPolarHBondContact O-CG1 3.34Å; T215-I219 PolarHBondContact O-N 3.33Å; T215-I219 VanDerWaalsContact O-N 3.12Å; T215-Q472 HydrophobicContact CG2-CG 3.79Å; T215-Q472 VanDerWaalsContact CG2-OE1 3.3Å
216	I	91.3	Very high	90.7	Very high	8 Å²	8	13.7 Å²	13.7	4%	0.041	7%	0.068	C	C	.	.	H	α-helix	trans	-68.8	-37.2	-178	-165.8	60.1	0	0	0	111.7	S212 F213 L218 I219 L220 Q325 V329 L468	S212-I216 WeakPolarHBondContact O-CG2 3.37Å; S212-I216 PolarHBondContact O-N 2.89Å; F213-I216 WeakPolarHBondContact O-CG2 3.38Å; F213-I216 PolarHBondContact O-N 2.99Å; I216-L218 VanDerWaalsContact C-N 3.32Å; I216-L218 PolarHBondContact O-N 2.79Å; I216-I219 PolarHBondContact O-N 3.27Å; I216-L220 HydrophobicContact CD1-CD1 4.12Å; I216-L220 HydrophobicContact CD1-CG 4.11Å; I216-L220 HydrophobicContact CG1-CD1 3.71Å; I216-L220 HydrophobicContact CG1-CG 4.08Å; I216-L220 WeakPolarHBondContact O-CB 3.45Å; I216-L220 VanDerWaalsContact O-CG 3.29Å; I216-L220 WeakPolarHBondContact O-CG 3.42Å; I216-L220 PolarHBondContact O-N 2.9Å; I216-Q325 HydrophobicContact CG2-CG 4.24Å; I216-V329 HydrophobicContact CG2-CG2 3.62Å; I216-L468 HydrophobicContact CD1-CD2 3.83Å
217	C	90.9	Very high	90.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-65.2	-37.6	175.5	-75.1	0	0	0	0	111.7	F213 I219 L220 Y221 F225 Q325	F213-C217 HydrophobicContact CD1-CB 4.44Å; F213-C217 HydrophobicContact CE1-CB 4.36Å; F213-C217 WeakPolarHBondContact CE1-SG 3.35Å; F213-C217 VanDerWaalsContact CZ-SG 3.53Å; F213-C217 WeakPolarHBondContact O-CB 3.44Å; F213-C217 PolarHBondContact O-N 3.29Å; F213-C217 PolarHBondContact O-SG 3.07Å; C217-I219 VanDerWaalsContact C-N 3.31Å; C217-I219 PolarHBondContact O-N 3.24Å; C217-L220 PolarHBondContact O-N 2.99Å; C217-Y221 HydrophobicContact CB-CD2 4Å; C217-Y221 HydrophobicContact CB-CE2 4.49Å; C217-Y221 WeakPolarHBondContact O-CA 3.41Å; C217-Y221 VanDerWaalsContact O-CB 3.28Å; C217-Y221 WeakPolarHBondContact O-CB 3.39Å; C217-Y221 PolarHBondContact O-N 3.19Å; C217-F225 HydrophobicContact CB-CD2 3.48Å; C217-F225 VanDerWaalsContact CB-CD2 3.48Å; C217-F225 HydrophobicContact CB-CE2 3.54Å; C217-F225 HydrophobicContact CB-CG 4.46Å; C217-Q325 PolarHBondContact SG-NE2 3.47Å
218	L	90.1	Very high	90.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60.9	-43.2	172.6	-178.4	67.8	0	0	0	111.4	K182 V184 E214 T215 I216 D222 N223 R224	K182-L218 HydrophobicContact CB-CD1 4.44Å; K182-L218 HydrophobicContact CB-CD2 3.83Å; K182-L218 HydrophobicContact CD-CD1 3.2Å; K182-L218 HydrophobicContact CD-CD2 3.94Å; K182-L218 HydrophobicContact CD-CG 4.08Å; K182-L218 HydrophobicContact CG-CD1 4.41Å; K182-L218 HydrophobicContact CG-CD2 4.42Å; V184-L218 HydrophobicContact CG2-CD2 3.62Å; E214-L218 VanDerWaalsContact O-CB 3.31Å; E214-L218 WeakPolarHBondContact O-CB 3.39Å; E214-L218 PolarHBondContact O-N 3.03Å; T215-L218 WeakPolarHBondContact O-CB 3.27Å; T215-L218 PolarHBondContact O-N 2.64Å; I216-L218 VanDerWaalsContact C-N 3.32Å; I216-L218 PolarHBondContact O-N 2.79Å; L218-D222 WeakPolarHBondContact O-CA 3.38Å; L218-D222 PolarHBondContact O-N 3.4Å; L218-N223 WeakPolarHBondContact CA-O 3.34Å; L218-N223 PolarHBondContact N-O 3.42Å; L218-R224 HydrophobicContact CD1-CG 4.21Å
219	I	89.4	Confident	89.9	Confident	2 Å²	2	14.4 Å²	14.4	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-70.2	-40.8	-179.3	-67.3	155.9	0	0	0	111.9	L175 I179 T215 I216 C217 R290 L302 L468	L175-I219 HydrophobicContact CD1-CG2 4.12Å; L175-I219 HydrophobicContact CD2-CG2 4.29Å; I179-I219 HydrophobicContact CD1-CD1 4.21Å; I179-I219 HydrophobicContact CG1-CD1 4.39Å; T215-I219 HydrophobicContact CG2-CD1 4.07Å; T215-I219 WeakPolarHBondContact O-CD1 3.32Å; T215-I219 WeakPolarHBondContact O-CG1 3.34Å; T215-I219 PolarHBondContact O-N 3.33Å; T215-I219 VanDerWaalsContact O-N 3.12Å; I216-I219 PolarHBondContact O-N 3.27Å; C217-I219 VanDerWaalsContact C-N 3.31Å; C217-I219 PolarHBondContact O-N 3.24Å; I219-R290 PolarHBondContact O-NH1 3.45Å; I219-L302 HydrophobicContact CG2-CD2 4.17Å; I219-L468 HydrophobicContact CD1-CD1 3.48Å; I219-L468 VanDerWaalsContact CD1-CD1 3.48Å; I219-L468 HydrophobicContact CD1-CD2 4Å; I219-L468 HydrophobicContact CD1-CG 4.24Å; I219-L468 HydrophobicContact CG2-CD2 4.13Å
220	L	90.5	Very high	89.1	Confident	2 Å²	2	20.3 Å²	20.3	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-84.4	-30.7	-174.1	-67.2	-178.6	0	0	0	113.7	I216 C217 R290 I321 L324 Q325	I216-L220 HydrophobicContact CD1-CD1 4.12Å; I216-L220 HydrophobicContact CD1-CG 4.11Å; I216-L220 HydrophobicContact CG1-CD1 3.71Å; I216-L220 HydrophobicContact CG1-CG 4.08Å; I216-L220 WeakPolarHBondContact O-CB 3.45Å; I216-L220 VanDerWaalsContact O-CG 3.29Å; I216-L220 WeakPolarHBondContact O-CG 3.42Å; I216-L220 PolarHBondContact O-N 2.9Å; C217-L220 PolarHBondContact O-N 2.99Å; L220-R290 PolarHBondContact O-NH1 3.2Å; L220-I321 HydrophobicContact CB-CG2 4.03Å; L220-I321 HydrophobicContact CD1-CG2 4.17Å; L220-I321 HydrophobicContact CD2-CG2 4.38Å; L220-I321 HydrophobicContact CG-CG2 4.42Å; L220-L324 HydrophobicContact CD1-CB 4.05Å; L220-L324 HydrophobicContact CD2-CB 4.26Å; L220-L324 HydrophobicContact CD2-CD1 4.2Å; L220-Q325 HydrophobicContact CD1-CB 3.7Å; L220-Q325 HydrophobicContact CD1-CG 4.44Å
221	Y	89.7	Confident	88.2	Confident	2 Å²	2	28.1 Å²	28.1	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-119.1	-5.2	-174.8	-53.2	-49.9	0	0	0	114	C217 N223 F225 Y286 I287 I321 Q325	C217-Y221 HydrophobicContact CB-CD2 4Å; C217-Y221 HydrophobicContact CB-CE2 4.49Å; C217-Y221 WeakPolarHBondContact O-CA 3.41Å; C217-Y221 VanDerWaalsContact O-CB 3.28Å; C217-Y221 WeakPolarHBondContact O-CB 3.39Å; C217-Y221 PolarHBondContact O-N 3.19Å; Y221-N223 PolarHBondContact O-N 3.43Å; Y221-F225 AromaticContact CD2-CE2 3.89Å; Y221-F225 HydrophobicContact CD2-CE2 3.89Å; Y221-F225 HydrophobicContact CD2-CZ 4.09Å; Y221-Y286 HydrophobicContact CG-CG 4.45Å; Y221-I287 HydrophobicContact CD1-CG1 3.99Å; Y221-I287 HydrophobicContact CE1-CD1 4.16Å; Y221-I287 HydrophobicContact CE1-CG1 3.68Å; Y221-I321 HydrophobicContact CD1-CG2 4.36Å; Y221-I321 HydrophobicContact CE1-CG2 3.51Å; Y221-Q325 PolarHBondContact OH-OE1 3.28Å
222	D	87.5	Confident	87.2	Confident	36 Å²	36	30.8 Å²	30.8	19%	0.193	15%	0.152	C	C	.	.	S	Bend	trans	53.6	30	-170.2	-159.9	48.5	0	0	0	113.5	K182 L218	K182-D222 PolarHBondContact NZ-O 3.39Å; K182-D222 IonicContact NZ-OD1 3.78Å; K182-D222 PolarHBondContact NZ-OD1 3.29Å; K182-D222 IonicContact NZ-OD2 3.43Å; K182-D222 PolarHBondContact NZ-OD2 3.06Å; L218-D222 WeakPolarHBondContact O-CA 3.38Å; L218-D222 PolarHBondContact O-N 3.4Å
223	N	87.1	Confident	86.5	Confident	31 Å²	31	33.8 Å²	33.8	17%	0.166	17%	0.168	C	C	.	.			trans	-130	133.4	-172.1	-165.4	78.8	0	0	0	111.8	L218 Y221 F225 Y286	L218-N223 WeakPolarHBondContact CA-O 3.34Å; L218-N223 PolarHBondContact N-O 3.42Å; Y221-N223 PolarHBondContact O-N 3.43Å; N223-F225 HydrophobicContact CB-CE2 4.22Å; N223-Y286 HydrophobicContact CB-CD1 4.2Å; N223-Y286 HydrophobicContact CB-CE1 4.33Å; N223-Y286 WeakPolarHBondContact ND2-CE1 2.99Å
224	R	87.6	Confident	86	Confident	64 Å²	64	41.1 Å²	41.1	24%	0.242	20%	0.203	C	C	.	.			trans	-83.7	128.5	168.8	-68.5	-69.5	-54.6	-93.8	-3.3	108.5	K182 D187 E214 L218	K182-R224 PolarHBondContact O-NH1 3.47Å; D187-R224 IonicContact OD2-CZ 3.99Å; D187-R224 IonicContact OD2-NH1 3.5Å; D187-R224 PolarHBondContact OD2-NH1 2.88Å; D187-R224 IonicContact OD2-NH2 2.96Å; D187-R224 PolarHBondContact OD2-NH2 3.16Å; E214-R224 WeakPolarHBondContact OE1-CA 2.95Å; E214-R224 WeakPolarHBondContact OE1-CB 3.41Å; E214-R224 IonicContact OE1-CZ 3.2Å; E214-R224 IonicContact OE1-NE 3.85Å; E214-R224 PolarHBondContact OE1-NE 3.06Å; E214-R224 IonicContact OE1-NH2 3.15Å; L218-R224 HydrophobicContact CD1-CG 4.21Å
225	F	87.6	Confident	85.4	Confident	5 Å²	5	44.1 Å²	44.1	2%	0.022	22%	0.216	C	C	.	.			trans	-93.7	-11	-178	-85	-103.8	0	0	0	112.8	F213 E214 C217 Y221 N223 L227 N233 A236 Y286	F213-F225 HydrophobicContact CE1-CB 4.09Å; F213-F225 AromaticContact CE1-CD1 3.99Å; F213-F225 HydrophobicContact CE1-CD1 3.99Å; F213-F225 HydrophobicContact CE1-CD2 4.36Å; F213-F225 AromaticContact CE1-CG 3.87Å; F213-F225 HydrophobicContact CE1-CG 3.87Å; E214-F225 PolarHBondContact OE1-N 3.36Å; E214-F225 WeakPolarHBondContact OE2-CB 3.43Å; E214-F225 PolarHBondContact OE2-N 3.33Å; C217-F225 HydrophobicContact CB-CD2 3.48Å; C217-F225 VanDerWaalsContact CB-CD2 3.48Å; C217-F225 HydrophobicContact CB-CE2 3.54Å; C217-F225 HydrophobicContact CB-CG 4.46Å; Y221-F225 AromaticContact CD2-CE2 3.89Å; Y221-F225 HydrophobicContact CD2-CE2 3.89Å; Y221-F225 HydrophobicContact CD2-CZ 4.09Å; N223-F225 HydrophobicContact CB-CE2 4.22Å; F225-L227 HydrophobicContact CB-CG 4.49Å; F225-N233 WeakPolarHBondContact O-CB 3.31Å; F225-A236 HydrophobicContact CB-CB 4.22Å; F225-A236 HydrophobicContact CD1-CB 3.97Å; F225-Y286 HydrophobicContact CE1-CD2 4.11Å; F225-Y286 HydrophobicContact CE1-CE1 4.22Å; F225-Y286 AromaticContact CE1-CE2 3.5Å; F225-Y286 HydrophobicContact CE1-CE2 3.5Å; F225-Y286 VanDerWaalsContact CE1-CE2 3.5Å; F225-Y286 AromaticContact CE1-CZ 3.56Å; F225-Y286 HydrophobicContact CE2-CD1 4.39Å; F225-Y286 HydrophobicContact CE2-CE1 4.28Å; F225-Y286 AromaticContact CZ-CD1 3.93Å; F225-Y286 HydrophobicContact CZ-CD1 3.93Å; F225-Y286 AromaticContact CZ-CD2 3.64Å; F225-Y286 HydrophobicContact CZ-CD2 3.64Å; F225-Y286 AromaticContact CZ-CE1 3.75Å; F225-Y286 HydrophobicContact CZ-CE1 3.75Å; F225-Y286 AromaticContact CZ-CE2 3.47Å; F225-Y286 HydrophobicContact CZ-CE2 3.47Å; F225-Y286 VanDerWaalsContact CZ-CE2 3.47Å; F225-Y286 AromaticContact CZ-CG 3.89Å; F225-Y286 HydrophobicContact CZ-CG 3.89Å; F225-Y286 AromaticContact CZ-CZ 3.52Å
226	G	87.9	Confident	84.8	Confident	18 Å²	18	44 Å²	44	19%	0.186	22%	0.216	C	C	.	.			trans	87.8	12.5	174.2	0	0	0	0	0	113.7	E214 L228 Q229	E214-G226 PolarHBondContact OE1-N 2.78Å; E214-G226 PolarHBondContact OE2-N 3Å; E214-G226 VanDerWaalsContact OE2-N 3.17Å; G226-L228 PolarHBondContact O-N 3.42Å; G226-Q229 PolarHBondContact O-N 3.35Å; G226-Q229 PolarHBondContact O-OE1 2.87Å; G226-Q229 VanDerWaalsContact O-OE1 3.07Å
227	L	87	Confident	84.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-15.9	-172	-71.1	-174.6	0	0	0	114.4	K210 F213 E214 F225 V232 A236 I240	K210-L227 HydrophobicContact CB-CB 4.1Å; K210-L227 HydrophobicContact CG-CB 4.35Å; F213-L227 HydrophobicContact CB-CD1 3.75Å; F213-L227 HydrophobicContact CD1-CD1 3.18Å; F213-L227 HydrophobicContact CD1-CG 4.21Å; F213-L227 HydrophobicContact CE1-CD1 3.89Å; F213-L227 HydrophobicContact CG-CD1 3.6Å; E214-L227 PolarHBondContact OE2-N 2.98Å; F225-L227 HydrophobicContact CB-CG 4.49Å; L227-V232 HydrophobicContact CD2-CG1 3.58Å; L227-A236 HydrophobicContact CD1-CB 4.45Å; L227-A236 HydrophobicContact CD2-CB 3.5Å; L227-A236 VanDerWaalsContact CD2-CB 3.5Å; L227-A236 HydrophobicContact CG-CB 4.03Å; L227-I240 HydrophobicContact CD1-CD1 3.87Å; L227-I240 HydrophobicContact CD2-CD1 4.39Å
228	L	88.2	Confident	84.1	Confident	9 Å²	9	51.4 Å²	51.4	5%	0.047	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-12.1	-179.5	-60.6	178.9	0	0	0	112.3	V184 D187 F188 R191 K210 W211 E214 G226	V184-L228 HydrophobicContact CG1-CD1 3.98Å; V184-L228 WeakPolarHBondContact O-CD1 3.44Å; D187-L228 HydrophobicContact CB-CB 4.17Å; D187-L228 HydrophobicContact CB-CD1 4Å; F188-L228 HydrophobicContact CB-CD1 4.02Å; F188-L228 HydrophobicContact CD2-CD2 4.33Å; R191-L228 WeakPolarHBondContact CD-O 3.33Å; R191-L228 PolarHBondContact NH1-O 3.3Å; K210-L228 HydrophobicContact CB-CD2 4.29Å; W211-L228 HydrophobicContact CB-CD2 4.27Å; E214-L228 HydrophobicContact CB-CD1 4.32Å; E214-L228 HydrophobicContact CB-CG 4.32Å; E214-L228 HydrophobicContact CG-CD1 4.15Å; E214-L228 HydrophobicContact CG-CG 4.26Å; G226-L228 PolarHBondContact O-N 3.42Å
229	Q	84.9	Confident	83.9	Confident	74 Å²	74	51.6 Å²	51.6	35%	0.346	26%	0.255	S	S	.	.	S	Bend	trans	-80	172	177.3	-70.1	73	17	0	0	111.5	R191 G226	R191-Q229 PolarHBondContact NH1-O 2.64Å; G226-Q229 PolarHBondContact O-N 3.35Å; G226-Q229 PolarHBondContact O-OE1 2.87Å; G226-Q229 VanDerWaalsContact O-OE1 3.07Å
230	E	75.8	Confident	83.6	Confident	154 Å²	154	52.6 Å²	52.6	72%	0.72	26%	0.26	S	S	*	.	S	Bend	trans	-71.8	-40.3	179.5	-73	171.3	-156.6	0	0	111.6	K194	K194-E230 IonicContact NZ-OE1 3.04Å; K194-E230 PolarHBondContact NZ-OE1 3.22Å
231	E	73.6	Confident	83.6	Confident	180 Å²	180	56.1 Å²	56.1	84%	0.841	28%	0.282	S	S	*	.	S	Bend	trans	-89.9	109.1	173.3	-67.3	-174.2	173.1	0	0	110.5
232	V	73.1	Confident	83.7	Confident	56 Å²	56	56.4 Å²	56.4	34%	0.339	29%	0.285	S	S	.	.			trans	-81.8	127.9	179.9	-174.9	0	0	0	0	110	L227 E234 M237	L227-V232 HydrophobicContact CD2-CG1 3.58Å; V232-E234 PolarHBondContact O-N 3.37Å; V232-M237 HydrophobicContact CG1-CG 3.56Å; V232-M237 HydrophobicContact CG1-SD 3.88Å
233	N	77.9	Confident	83.8	Confident	63 Å²	63	55.9 Å²	55.9	34%	0.337	28%	0.283	S	S	.	.			trans	-63.3	122.8	175.5	-175.5	-19.1	0	0	0	111.6	F225 E235 A236 M237	F225-N233 WeakPolarHBondContact O-CB 3.31Å; N233-E235 PolarHBondContact O-N 3.12Å; N233-E235 VanDerWaalsContact OD1-CB 3.29Å; N233-E235 WeakPolarHBondContact OD1-CB 3.48Å; N233-E235 PolarHBondContact OD1-N 3.42Å; N233-A236 HydrophobicContact CB-CB 4.32Å; N233-A236 WeakPolarHBondContact O-CB 3.34Å; N233-A236 PolarHBondContact O-N 3.21Å; N233-A236 VanDerWaalsContact O-N 3.12Å; N233-M237 PolarHBondContact O-N 3.35Å
234	E	81.5	Confident	83.7	Confident	159 Å²	159	60.7 Å²	60.7	74%	0.743	30%	0.302	S	S	*	.	H	α-helix	trans	-55.3	-36.2	177.5	-69	-172.8	167.3	0	0	112.9	V232 A236 M237 N238	V232-E234 PolarHBondContact O-N 3.37Å; E234-A236 VanDerWaalsContact C-N 3.34Å; E234-A236 PolarHBondContact O-N 2.89Å; E234-M237 PolarHBondContact O-N 2.97Å; E234-N238 VanDerWaalsContact O-CG 3.32Å; E234-N238 PolarHBondContact O-N 3.04Å; E234-N238 PolarHBondContact O-ND2 3.28Å
235	E	79.3	Confident	83.9	Confident	62 Å²	62	59.3 Å²	59.3	29%	0.29	30%	0.301	S	S	.	.	H	α-helix	trans	-63.5	-41.2	179.5	-170	-179.6	-170.7	0	0	111.6	N233 M237 N238 F239 Y286	N233-E235 PolarHBondContact O-N 3.12Å; N233-E235 VanDerWaalsContact OD1-CB 3.29Å; N233-E235 WeakPolarHBondContact OD1-CB 3.48Å; N233-E235 PolarHBondContact OD1-N 3.42Å; E235-M237 VanDerWaalsContact C-N 3.34Å; E235-N238 PolarHBondContact O-N 3.31Å; E235-F239 PolarHBondContact O-N 2.95Å; E235-Y286 VanDerWaalsContact OE1-CE2 3.27Å; E235-Y286 WeakPolarHBondContact OE1-CE2 3.3Å; E235-Y286 PolarHBondContact OE2-OH 3.01Å
236	A	79.5	Confident	84.2	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.7	-40.1	177.4	0	0	0	0	0	111.1	F213 F225 L227 N233 E234 F239 I240	F213-A236 HydrophobicContact CE1-CB 4.38Å; F225-A236 HydrophobicContact CB-CB 4.22Å; F225-A236 HydrophobicContact CD1-CB 3.97Å; L227-A236 HydrophobicContact CD1-CB 4.45Å; L227-A236 HydrophobicContact CD2-CB 3.5Å; L227-A236 VanDerWaalsContact CD2-CB 3.5Å; L227-A236 HydrophobicContact CG-CB 4.03Å; N233-A236 HydrophobicContact CB-CB 4.32Å; N233-A236 WeakPolarHBondContact O-CB 3.34Å; N233-A236 PolarHBondContact O-N 3.21Å; N233-A236 VanDerWaalsContact O-N 3.12Å; E234-A236 VanDerWaalsContact C-N 3.34Å; E234-A236 PolarHBondContact O-N 2.89Å; A236-F239 PolarHBondContact O-N 3.26Å; A236-I240 VanDerWaalsContact O-CG1 3.3Å; A236-I240 WeakPolarHBondContact O-CG1 3.43Å; A236-I240 PolarHBondContact O-N 2.94Å
237	M	81.6	Confident	84.2	Confident	63 Å²	63	60.8 Å²	60.8	31%	0.31	30%	0.304	S	S	.	.	H	α-helix	trans	-66.1	-39.9	176.8	-72.5	-58.1	-64.5	0	0	112.8	F206 V232 N233 E234 E235 F239 I240 T241	F206-M237 HydrophobicContact CZ-CE 4.48Å; V232-M237 HydrophobicContact CG1-CG 3.56Å; V232-M237 HydrophobicContact CG1-SD 3.88Å; N233-M237 PolarHBondContact O-N 3.35Å; E234-M237 PolarHBondContact O-N 2.97Å; E235-M237 VanDerWaalsContact C-N 3.34Å; M237-F239 VanDerWaalsContact C-N 3.35Å; M237-I240 PolarHBondContact O-N 3.33Å; M237-I240 HydrophobicContact SD-CD1 4.43Å; M237-T241 WeakPolarHBondContact O-CB 3.38Å; M237-T241 PolarHBondContact O-N 2.83Å; M237-T241 PolarHBondContact O-OG1 2.82Å
238	N	86.7	Confident	84.1	Confident	100 Å²	100	68 Å²	68	54%	0.535	33%	0.331	S	S	.	.	H	α-helix	trans	-61.7	-44.6	174.4	-74.2	-25.6	0	0	0	111.1	E234 E235 T241 A242	E234-N238 VanDerWaalsContact O-CG 3.32Å; E234-N238 PolarHBondContact O-N 3.04Å; E234-N238 PolarHBondContact O-ND2 3.28Å; E235-N238 PolarHBondContact O-N 3.31Å; N238-T241 PolarHBondContact O-N 2.67Å; N238-A242 WeakPolarHBondContact O-CB 3.21Å; N238-A242 PolarHBondContact O-N 2.97Å
239	F	85.6	Confident	84.3	Confident	3 Å²	3	67.7 Å²	67.7	1%	0.013	33%	0.33	C	S	.	.	H	α-helix	trans	-61.6	-47.6	176.3	-174.1	-81.9	0	0	0	112.2	F213 E235 A236 M237 T241 A242 V243 I279 T282 Q325	F213-F239 AromaticContact CE2-CD1 3.4Å; F213-F239 HydrophobicContact CE2-CD1 3.4Å; F213-F239 VanDerWaalsContact CE2-CD1 3.4Å; F213-F239 AromaticContact CE2-CE1 3.71Å; F213-F239 HydrophobicContact CE2-CE1 3.71Å; F213-F239 HydrophobicContact CE2-CG 4.38Å; F213-F239 AromaticContact CZ-CD1 3.74Å; F213-F239 HydrophobicContact CZ-CD1 3.74Å; F213-F239 HydrophobicContact CZ-CE1 4.28Å; F213-F239 HydrophobicContact CZ-CG 4.3Å; E235-F239 PolarHBondContact O-N 2.95Å; A236-F239 PolarHBondContact O-N 3.26Å; M237-F239 VanDerWaalsContact C-N 3.35Å; F239-T241 VanDerWaalsContact C-N 3.3Å; F239-T241 PolarHBondContact O-N 3.32Å; F239-A242 WeakPolarHBondContact O-CB 3.39Å; F239-A242 PolarHBondContact O-N 3.11Å; F239-V243 HydrophobicContact CD1-CG2 3.9Å; F239-V243 HydrophobicContact CE1-CG2 3.44Å; F239-V243 VanDerWaalsContact CE1-CG2 3.44Å; F239-V243 HydrophobicContact CZ-CG2 3.99Å; F239-V243 WeakPolarHBondContact O-CG2 3.33Å; F239-V243 PolarHBondContact O-N 3.27Å; F239-I279 HydrophobicContact CE2-CB 4.19Å; F239-I279 HydrophobicContact CE2-CG1 4.32Å; F239-I279 HydrophobicContact CE2-CG2 3.88Å; F239-I279 HydrophobicContact CZ-CG2 4.02Å; F239-T282 HydrophobicContact CD2-CG2 3.7Å; F239-T282 HydrophobicContact CE2-CG2 4.37Å; F239-T282 HydrophobicContact CG-CG2 4.48Å; F239-Q325 VanDerWaalsContact CE1-CD 3.49Å; F239-Q325 HydrophobicContact CE1-CG 4.37Å; F239-Q325 HydrophobicContact CZ-CG 4.36Å; F239-Q325 VanDerWaalsContact CZ-NE2 3.28Å
240	I	84.1	Confident	84.4	Confident	24 Å²	24	66.6 Å²	66.6	12%	0.123	32%	0.324	C	S	.	.	H	α-helix	trans	-59.1	-43.7	177.9	-69.8	165.6	0	0	0	110.6	F213 L227 A236 M237 A242 V243 K244	F213-I240 HydrophobicContact CD2-CD1 4.49Å; F213-I240 HydrophobicContact CD2-CG1 4.08Å; F213-I240 HydrophobicContact CE2-CG1 4.07Å; L227-I240 HydrophobicContact CD1-CD1 3.87Å; L227-I240 HydrophobicContact CD2-CD1 4.39Å; A236-I240 VanDerWaalsContact O-CG1 3.3Å; A236-I240 WeakPolarHBondContact O-CG1 3.43Å; A236-I240 PolarHBondContact O-N 2.94Å; M237-I240 PolarHBondContact O-N 3.33Å; M237-I240 HydrophobicContact SD-CD1 4.43Å; I240-A242 VanDerWaalsContact C-N 3.34Å; I240-A242 PolarHBondContact O-N 2.96Å; I240-V243 PolarHBondContact O-N 3.09Å; I240-K244 HydrophobicContact CG2-CD 4.44Å; I240-K244 WeakPolarHBondContact O-CG 3.45Å; I240-K244 PolarHBondContact O-N 3.34Å
241	T	88.8	Confident	84.7	Confident	75 Å²	75	60.7 Å²	60.7	46%	0.46	30%	0.304	S	S	.	.	H	α-helix	trans	-63.8	-39.7	177.9	-58.5	0	0	0	0	111.8	M237 N238 F239 K244 T245	M237-T241 WeakPolarHBondContact O-CB 3.38Å; M237-T241 PolarHBondContact O-N 2.83Å; M237-T241 PolarHBondContact O-OG1 2.82Å; N238-T241 PolarHBondContact O-N 2.67Å; F239-T241 VanDerWaalsContact C-N 3.3Å; F239-T241 PolarHBondContact O-N 3.32Å; T241-K244 PolarHBondContact O-N 3.13Å; T241-T245 WeakPolarHBondContact O-CB 3.47Å; T241-T245 PolarHBondContact O-N 3.22Å; T241-T245 PolarHBondContact O-OG1 2.91Å
242	A	92.6	Very high	85.2	Confident	8 Å²	8	57.2 Å²	57.2	7%	0.066	29%	0.287	C	S	.	.	H	α-helix	trans	-63.5	-45.6	174.8	0	0	0	0	0	111.3	N238 F239 I240 K244 T245 M246 A275 C278 I279	N238-A242 WeakPolarHBondContact O-CB 3.21Å; N238-A242 PolarHBondContact O-N 2.97Å; F239-A242 WeakPolarHBondContact O-CB 3.39Å; F239-A242 PolarHBondContact O-N 3.11Å; I240-A242 VanDerWaalsContact C-N 3.34Å; I240-A242 PolarHBondContact O-N 2.96Å; A242-K244 PolarHBondContact O-N 3.2Å; A242-T245 PolarHBondContact O-N 3.25Å; A242-M246 WeakPolarHBondContact O-CB 3.49Å; A242-M246 PolarHBondContact O-N 3.14Å; A242-A275 WeakPolarHBondContact O-CB 3.2Å; A242-C278 HydrophobicContact CB-CB 3.91Å; A242-I279 HydrophobicContact CB-CD1 4.43Å; A242-I279 HydrophobicContact CB-CG1 3.89Å
243	V	88.7	Confident	86	Confident	25 Å²	25	54.8 Å²	54.8	15%	0.152	27%	0.271	C	S	.	.	H	α-helix	trans	-60	-46.3	175.7	174.3	0	0	0	0	111.6	F239 I240 T245 M246 M247 I279 I326	F239-V243 HydrophobicContact CD1-CG2 3.9Å; F239-V243 HydrophobicContact CE1-CG2 3.44Å; F239-V243 VanDerWaalsContact CE1-CG2 3.44Å; F239-V243 HydrophobicContact CZ-CG2 3.99Å; F239-V243 WeakPolarHBondContact O-CG2 3.33Å; F239-V243 PolarHBondContact O-N 3.27Å; I240-V243 PolarHBondContact O-N 3.09Å; V243-T245 VanDerWaalsContact C-N 3.32Å; V243-T245 PolarHBondContact O-N 3.2Å; V243-M246 PolarHBondContact O-N 3.26Å; V243-M247 HydrophobicContact CG1-CG 4.39Å; V243-M247 WeakPolarHBondContact O-CB 3.31Å; V243-M247 WeakPolarHBondContact O-CG 3.48Å; V243-M247 PolarHBondContact O-N 3.32Å; V243-I279 HydrophobicContact CG2-CD1 3.89Å; V243-I279 HydrophobicContact CG2-CG1 3.99Å; V243-I326 HydrophobicContact CG2-CG1 4.35Å
244	K	86.9	Confident	86.2	Confident	132 Å²	132	55.3 Å²	55.3	57%	0.574	27%	0.273	S	S	*	.	H	α-helix	trans	-59.2	-43.1	176.1	-73.9	-178.3	177.1	-176.9	0	111.9	I240 T241 A242 M247 R248	I240-K244 HydrophobicContact CG2-CD 4.44Å; I240-K244 WeakPolarHBondContact O-CG 3.45Å; I240-K244 PolarHBondContact O-N 3.34Å; T241-K244 PolarHBondContact O-N 3.13Å; A242-K244 PolarHBondContact O-N 3.2Å; K244-M247 PolarHBondContact O-N 2.93Å; K244-R248 PolarHBondContact O-N 3.19Å
245	T	91.1	Very high	86.1	Confident	35 Å²	35	54.1 Å²	54.1	22%	0.215	27%	0.27	C	S	.	.	H	α-helix	trans	-65.3	-43.8	178	-60.1	0	0	0	0	111.6	T241 A242 V243 R248 T249 D271 A275	T241-T245 WeakPolarHBondContact O-CB 3.47Å; T241-T245 PolarHBondContact O-N 3.22Å; T241-T245 PolarHBondContact O-OG1 2.91Å; A242-T245 PolarHBondContact O-N 3.25Å; V243-T245 VanDerWaalsContact C-N 3.32Å; V243-T245 PolarHBondContact O-N 3.2Å; T245-R248 PolarHBondContact O-N 3.02Å; T245-T249 HydrophobicContact CG2-CG2 4.37Å; T245-T249 WeakPolarHBondContact O-CB 3.36Å; T245-T249 VanDerWaalsContact O-CG2 3.3Å; T245-T249 WeakPolarHBondContact O-CG2 3.46Å; T245-T249 PolarHBondContact O-N 2.8Å; T245-T249 PolarHBondContact O-OG1 3.12Å; T245-D271 HydrophobicContact CG2-CB 4.31Å; T245-A275 HydrophobicContact CG2-CB 4.02Å
246	M	93.6	Very high	86.3	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.9	-47.3	174.9	-179.3	-77.4	-68	0	0	110.8	W134 A242 V243 R248 T249 F250 A275 W276 I279 I326	W134-M246 HydrophobicContact CZ2-CE 4.08Å; W134-M246 HydrophobicContact CZ2-SD 3.81Å; A242-M246 WeakPolarHBondContact O-CB 3.49Å; A242-M246 PolarHBondContact O-N 3.14Å; V243-M246 PolarHBondContact O-N 3.26Å; M246-R248 PolarHBondContact O-N 3.37Å; M246-T249 PolarHBondContact O-N 3.48Å; M246-T249 PolarHBondContact O-OG1 3.37Å; M246-F250 WeakPolarHBondContact O-CD1 3.23Å; M246-F250 PolarHBondContact O-N 3.4Å; M246-F250 HydrophobicContact SD-CD1 4.34Å; M246-A275 HydrophobicContact CB-CB 3.99Å; M246-W276 HydrophobicContact CE-CH2 4Å; M246-W276 HydrophobicContact CE-CZ2 3.93Å; M246-W276 HydrophobicContact CG-CD2 3.81Å; M246-W276 HydrophobicContact CG-CG 4.13Å; M246-W276 HydrophobicContact CG-CH2 4.36Å; M246-W276 HydrophobicContact CG-CZ2 3.62Å; M246-W276 HydrophobicContact SD-CH2 4.17Å; M246-W276 HydrophobicContact SD-CZ2 3.47Å; M246-W276 WeakPolarHBondContact SD-CZ2 3.41Å; M246-I279 HydrophobicContact CB-CD1 3.93Å; M246-I279 HydrophobicContact CG-CD1 4.2Å; M246-I326 HydrophobicContact CE-CD1 3.99Å; M246-I326 HydrophobicContact CE-CG2 4.01Å
247	M	87.1	Confident	86.7	Confident	55 Å²	55	57.8 Å²	57.8	27%	0.271	30%	0.298	S	S	.	.	H	α-helix	trans	-60.6	-45.5	178.5	-73.5	-58.1	-171.1	0	0	112.4	W134 V243 K244 T249 F250 I326	W134-M247 HydrophobicContact CZ2-SD 4.39Å; V243-M247 HydrophobicContact CG1-CG 4.39Å; V243-M247 WeakPolarHBondContact O-CB 3.31Å; V243-M247 WeakPolarHBondContact O-CG 3.48Å; V243-M247 PolarHBondContact O-N 3.32Å; K244-M247 PolarHBondContact O-N 2.93Å; M247-T249 PolarHBondContact O-N 2.78Å; M247-F250 VanDerWaalsContact C-CD1 3.48Å; M247-F250 VanDerWaalsContact CA-CD1 3.43Å; M247-F250 HydrophobicContact CB-CD1 4.48Å; M247-F250 HydrophobicContact CB-CE1 4.16Å; M247-F250 HydrophobicContact CG-CE1 4.46Å; M247-F250 WeakPolarHBondContact O-CD1 3.36Å; M247-F250 WeakPolarHBondContact O-CE1 3.37Å; M247-F250 HydrophobicContact SD-CD1 4.04Å; M247-F250 HydrophobicContact SD-CE1 3.47Å; M247-F250 WeakPolarHBondContact SD-CE1 3.33Å; M247-F250 HydrophobicContact SD-CZ 4.35Å; M247-I326 HydrophobicContact CE-CG2 3.32Å
248	R	86.6	Confident	87.2	Confident	152 Å²	152	54.9 Å²	54.9	57%	0.574	28%	0.284	S	S	*	.	H	α-helix	trans	-66.1	-37.7	178.5	-175.3	-177.9	65.6	177.8	-1.9	112.8	K244 T245 M246	K244-R248 PolarHBondContact O-N 3.19Å; T245-R248 PolarHBondContact O-N 3.02Å; M246-R248 PolarHBondContact O-N 3.37Å
249	T	91	Very high	87.5	Confident	2 Å²	2	54 Å²	54	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-80.2	-37.1	-174.1	50.1	0	0	0	0	112.8	T245 M246 M247 G251 K252 M253 T268 D271 H272	T245-T249 HydrophobicContact CG2-CG2 4.37Å; T245-T249 WeakPolarHBondContact O-CB 3.36Å; T245-T249 VanDerWaalsContact O-CG2 3.3Å; T245-T249 WeakPolarHBondContact O-CG2 3.46Å; T245-T249 PolarHBondContact O-N 2.8Å; T245-T249 PolarHBondContact O-OG1 3.12Å; M246-T249 PolarHBondContact O-N 3.48Å; M246-T249 PolarHBondContact O-OG1 3.37Å; M247-T249 PolarHBondContact O-N 2.78Å; T249-G251 VanDerWaalsContact C-N 3.32Å; T249-G251 PolarHBondContact O-N 2.99Å; T249-K252 PolarHBondContact O-N 2.86Å; T249-M253 WeakPolarHBondContact O-CE 3.44Å; T249-M253 PolarHBondContact O-N 3.3Å; T249-T268 HydrophobicContact CG2-CG2 4.28Å; T249-D271 HydrophobicContact CG2-CB 3.95Å; T249-H272 WeakPolarHBondContact OG1-CB 3.01Å; T249-H272 PolarHBondContact OG1-ND1 3.32Å
250	F	87.2	Confident	87.9	Confident	50 Å²	50	58.1 Å²	58.1	22%	0.219	30%	0.298	C	S	.	.	H	α-helix	trans	-63.5	-39.2	176.7	92.4	-88.8	0	0	0	111.6	I131 P133 W134 M246 M247 K252 M253 M254	I131-F250 HydrophobicContact CG2-CD2 4.44Å; P133-F250 HydrophobicContact CB-CB 4.33Å; W134-F250 AromaticContact NE1-CG 3.65Å; M246-F250 WeakPolarHBondContact O-CD1 3.23Å; M246-F250 PolarHBondContact O-N 3.4Å; M246-F250 HydrophobicContact SD-CD1 4.34Å; M247-F250 VanDerWaalsContact C-CD1 3.48Å; M247-F250 VanDerWaalsContact CA-CD1 3.43Å; M247-F250 HydrophobicContact CB-CD1 4.48Å; M247-F250 HydrophobicContact CB-CE1 4.16Å; M247-F250 HydrophobicContact CG-CE1 4.46Å; M247-F250 WeakPolarHBondContact O-CD1 3.36Å; M247-F250 WeakPolarHBondContact O-CE1 3.37Å; M247-F250 HydrophobicContact SD-CD1 4.04Å; M247-F250 HydrophobicContact SD-CE1 3.47Å; M247-F250 WeakPolarHBondContact SD-CE1 3.33Å; M247-F250 HydrophobicContact SD-CZ 4.35Å; F250-K252 VanDerWaalsContact C-N 3.26Å; F250-K252 PolarHBondContact O-N 3.1Å; F250-M253 CarbonylContact O-C 3.44Å; F250-M253 PolarHBondContact O-N 3.15Å; F250-M254 HydrophobicContact CD2-CG 3.8Å; F250-M254 HydrophobicContact CE2-CG 4.2Å; F250-M254 WeakPolarHBondContact O-CG 3.33Å; F250-M254 PolarHBondContact O-N 3.12Å
251	G	83.2	Confident	88.4	Confident	31 Å²	31	58 Å²	58	32%	0.32	30%	0.297	S	S	.	.	H	α-helix	trans	-58.3	-38.3	-179.1	0	0	0	0	0	112.7	T249 M254	T249-G251 VanDerWaalsContact C-N 3.32Å; T249-G251 PolarHBondContact O-N 2.99Å; G251-M254 PolarHBondContact O-N 3.48Å
252	K	83.6	Confident	88.7	Confident	107 Å²	107	57.5 Å²	57.5	47%	0.465	29%	0.29	S	S	.	.	H	α-helix	trans	-62.8	-45.1	174.4	-62.2	-177.8	-178.2	-176.8	0	111.5	T249 F250 M254 I255 T256 T268	T249-K252 PolarHBondContact O-N 2.86Å; F250-K252 VanDerWaalsContact C-N 3.26Å; F250-K252 PolarHBondContact O-N 3.1Å; K252-M254 VanDerWaalsContact C-N 3.26Å; K252-M254 PolarHBondContact O-N 3.18Å; K252-I255 PolarHBondContact O-N 3.33Å; K252-T256 PolarHBondContact O-N 3.24Å; K252-T256 PolarHBondContact O-OG1 3.46Å; K252-T256 VanDerWaalsContact O-OG1 3.05Å; K252-T268 HydrophobicContact CB-CG2 4.16Å; K252-T268 HydrophobicContact CD-CG2 4.2Å
253	M	88.9	Confident	88.8	Confident	4 Å²	4	65.7 Å²	65.7	2%	0.02	32%	0.324	C	S	.	.	H	α-helix	trans	-81.4	2.3	-178.8	-59.5	-175.1	-73.9	0	0	114.4	P133 T249 F250 T256 V258 H261 T268 W269 H272	P133-M253 HydrophobicContact CB-CB 4.14Å; P133-M253 HydrophobicContact CB-CE 3.99Å; P133-M253 HydrophobicContact CG-CB 3.62Å; P133-M253 WeakPolarHBondContact CG-O 3.19Å; T249-M253 WeakPolarHBondContact O-CE 3.44Å; T249-M253 PolarHBondContact O-N 3.3Å; F250-M253 CarbonylContact O-C 3.44Å; F250-M253 PolarHBondContact O-N 3.15Å; M253-T256 CarbonylContact C-O 3.3Å; M253-T256 VanDerWaalsContact C-O 3.3Å; M253-V258 HydrophobicContact SD-CG2 4.25Å; M253-H261 HydrophobicContact CG-CB 4.35Å; M253-H261 HydrophobicContact SD-CB 3.91Å; M253-T268 HydrophobicContact CE-CG2 4.3Å; M253-T268 HydrophobicContact CG-CG2 3.86Å; M253-T268 HydrophobicContact SD-CG2 4.14Å; M253-W269 HydrophobicContact CE-CE3 4.34Å; M253-W269 HydrophobicContact SD-CE3 3.87Å; M253-H272 HydrophobicContact CE-CB 3.53Å
254	M	83.3	Confident	89.2	Confident	75 Å²	75	70 Å²	70	37%	0.369	35%	0.346	S	S	.	.	H	α-helix	trans	-85.7	-21.6	166.2	-73.2	-64.3	-63.9	0	0	111.7	L129 I131 P133 F250 G251 K252	L129-M254 HydrophobicContact CD2-CE 4.5Å; I131-M254 HydrophobicContact CG2-SD 4.26Å; P133-M254 VanDerWaalsContact CD-SD 3.59Å; P133-M254 HydrophobicContact CG-CG 4.44Å; P133-M254 HydrophobicContact CG-SD 4.14Å; F250-M254 HydrophobicContact CD2-CG 3.8Å; F250-M254 HydrophobicContact CE2-CG 4.2Å; F250-M254 WeakPolarHBondContact O-CG 3.33Å; F250-M254 PolarHBondContact O-N 3.12Å; G251-M254 PolarHBondContact O-N 3.48Å; K252-M254 VanDerWaalsContact C-N 3.26Å; K252-M254 PolarHBondContact O-N 3.18Å
255	I	78.7	Confident	89.6	Confident	133 Å²	133	67.9 Å²	67.9	68%	0.682	34%	0.341	S	S	*	.	H	α-helix	trans	-88.8	-48.1	176.6	-58.7	174	0	0	0	109.8	K252	K252-I255 PolarHBondContact O-N 3.33Å
256	T	83.2	Confident	89.9	Confident	58 Å²	58	67.9 Å²	67.9	36%	0.356	34%	0.341	S	S	.	.	S	Bend	trans	-97	138.2	177.5	43.5	0	0	0	0	110.7	K252 M253 V258 H261	K252-T256 PolarHBondContact O-N 3.24Å; K252-T256 PolarHBondContact O-OG1 3.46Å; K252-T256 VanDerWaalsContact O-OG1 3.05Å; M253-T256 CarbonylContact C-O 3.3Å; M253-T256 VanDerWaalsContact C-O 3.3Å; T256-V258 PolarHBondContact O-N 3.04Å; T256-H261 WeakPolarHBondContact CB-NE2 3.39Å; T256-H261 PolarHBondContact OG1-CD2 2.78Å; T256-H261 PolarHBondContact OG1-NE2 2.97Å
257	P	87.8	Confident	90	Very high	81 Å²	81	74.2 Å²	74.2	53%	0.526	37%	0.368	S	S	.	.			trans	-55.1	127.1	-178.5	-26.1	34.2	0	0	0	112.8	E259 L260 H261	P257-E259 WeakPolarHBondContact CB-OE2 3.43Å; P257-E259 PolarHBondContact O-N 3.4Å; P257-L260 WeakPolarHBondContact O-CB 3.3Å; P257-L260 PolarHBondContact O-N 2.89Å; P257-L260 VanDerWaalsContact O-N 3.13Å; P257-H261 PolarHBondContact O-CD2 3.06Å; P257-H261 PolarHBondContact O-N 3.28Å
258	V	92.6	Very high	90.5	Very high	3 Å²	3	72.9 Å²	72.9	2%	0.018	36%	0.363	C	S	.	.	H	α-helix	trans	-61.9	-31.1	-178.7	63.4	0	0	0	0	112.1	K132 P133 A136 M253 T256 L260 H261 Q262 W269	K132-V258 HydrophobicContact CB-CG1 3.89Å; P133-V258 HydrophobicContact CB-CG2 4.35Å; P133-V258 HydrophobicContact CG-CB 4.39Å; A136-V258 HydrophobicContact CB-CG1 4.11Å; A136-V258 HydrophobicContact CB-CG2 3.83Å; M253-V258 HydrophobicContact SD-CG2 4.25Å; T256-V258 PolarHBondContact O-N 3.04Å; V258-L260 PolarHBondContact O-N 2.97Å; V258-H261 WeakPolarHBondContact O-CA 3.44Å; V258-H261 WeakPolarHBondContact O-CB 3.45Å; V258-H261 PolarHBondContact O-N 2.93Å; V258-Q262 HydrophobicContact CG2-CG 4.25Å; V258-Q262 WeakPolarHBondContact O-CG 3.18Å; V258-Q262 PolarHBondContact O-N 2.87Å; V258-W269 HydrophobicContact CG2-CE3 4.02Å; V258-W269 HydrophobicContact CG2-CZ3 3.67Å
259	E	93.1	Very high	91	Very high	80 Å²	80	66.3 Å²	66.3	37%	0.374	34%	0.338	S	S	.	.	H	α-helix	trans	-62.4	-31.5	-179.9	-54.8	80.4	-178	0	0	111	K132 P257 K263	K132-E259 IonicContact NZ-OE1 3.7Å; P257-E259 WeakPolarHBondContact CB-OE2 3.43Å; P257-E259 PolarHBondContact O-N 3.4Å; E259-K263 WeakPolarHBondContact O-CB 3.49Å; E259-K263 VanDerWaalsContact O-CG 3.23Å; E259-K263 WeakPolarHBondContact O-CG 3.46Å; E259-K263 PolarHBondContact O-N 3.31Å
260	L	93.3	Very high	91.3	Very high	90 Å²	90	70.1 Å²	70.1	47%	0.471	36%	0.356	S	S	.	.	H	α-helix	trans	-70.7	-44.2	173.1	-177.7	63.7	0	0	0	111.1	P257 V258 Q262 K263 L264	P257-L260 WeakPolarHBondContact O-CB 3.3Å; P257-L260 PolarHBondContact O-N 2.89Å; P257-L260 VanDerWaalsContact O-N 3.13Å; V258-L260 PolarHBondContact O-N 2.97Å; L260-Q262 VanDerWaalsContact C-N 3.29Å; L260-Q262 PolarHBondContact O-N 3.17Å; L260-K263 PolarHBondContact O-N 2.97Å; L260-L264 HydrophobicContact CD1-CD1 3.61Å; L260-L264 HydrophobicContact CD1-CG 3.99Å; L260-L264 HydrophobicContact CG-CD1 3.92Å; L260-L264 HydrophobicContact CG-CG 4.5Å; L260-L264 WeakPolarHBondContact O-CB 3.5Å; L260-L264 WeakPolarHBondContact O-CG 3.15Å; L260-L264 PolarHBondContact O-N 3.37Å
261	H	94.9	Very high	91.8	Very high	22 Å²	22	69.7 Å²	69.7	10%	0.102	36%	0.356	C	S	.	.	H	α-helix	trans	-61.2	-38.4	177.4	-80.5	-80.9	0	0	0	112.7	M253 T256 P257 V258 N265 T266 W269	M253-H261 HydrophobicContact CG-CB 4.35Å; M253-H261 HydrophobicContact SD-CB 3.91Å; T256-H261 WeakPolarHBondContact CB-NE2 3.39Å; T256-H261 PolarHBondContact OG1-CD2 2.78Å; T256-H261 PolarHBondContact OG1-NE2 2.97Å; P257-H261 PolarHBondContact O-CD2 3.06Å; P257-H261 PolarHBondContact O-N 3.28Å; V258-H261 WeakPolarHBondContact O-CA 3.44Å; V258-H261 WeakPolarHBondContact O-CB 3.45Å; V258-H261 PolarHBondContact O-N 2.93Å; H261-N265 WeakPolarHBondContact O-CA 3.34Å; H261-N265 PolarHBondContact O-N 2.77Å; H261-N265 VanDerWaalsContact O-N 3.12Å; H261-T266 PolarHBondContact ND1-OG1 2.87Å; H261-T266 PolarHBondContact O-N 3.12Å; H261-T266 VanDerWaalsContact O-N 3.1Å; H261-W269 HydrophobicContact CB-CB 4.22Å
262	Q	94.6	Very high	92.5	Very high	65 Å²	65	68.2 Å²	68.2	30%	0.304	34%	0.341	S	S	.	.	H	α-helix	trans	-66	-53	174.1	-74.3	-174.6	-43	0	0	111.9	A136 V258 L260 L264 N265 W269	A136-Q262 PolarHBondContact O-NE2 3.41Å; V258-Q262 HydrophobicContact CG2-CG 4.25Å; V258-Q262 WeakPolarHBondContact O-CG 3.18Å; V258-Q262 PolarHBondContact O-N 2.87Å; L260-Q262 VanDerWaalsContact C-N 3.29Å; L260-Q262 PolarHBondContact O-N 3.17Å; Q262-L264 VanDerWaalsContact C-N 3.32Å; Q262-L264 PolarHBondContact O-N 3.36Å; Q262-N265 PolarHBondContact O-N 3.25Å; Q262-W269 HydrophobicContact CG-CD2 3.76Å; Q262-W269 HydrophobicContact CG-CE3 3.87Å; Q262-W269 HydrophobicContact CG-CH2 3.7Å; Q262-W269 HydrophobicContact CG-CZ2 3.55Å; Q262-W269 HydrophobicContact CG-CZ3 3.85Å; Q262-W269 VanDerWaalsContact NE2-CZ2 3.26Å
263	K	95.3	Very high	93.1	Very high	180 Å²	180	63.5 Å²	63.5	78%	0.783	32%	0.321	S	S	*	.	H	α-helix	trans	-60.3	-40.7	-178.3	-76	175.2	-176.6	-177.3	0	112.8	E259 L260 N265	E259-K263 WeakPolarHBondContact O-CB 3.49Å; E259-K263 VanDerWaalsContact O-CG 3.23Å; E259-K263 WeakPolarHBondContact O-CG 3.46Å; E259-K263 PolarHBondContact O-N 3.31Å; L260-K263 PolarHBondContact O-N 2.97Å; K263-N265 VanDerWaalsContact C-N 3.29Å
264	L	96.4	Very high	93.6	Very high	116 Å²	116	66 Å²	66	61%	0.607	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-1.9	178.8	-62	179.7	0	0	0	113.2	L260 Q262 T266	L260-L264 HydrophobicContact CD1-CD1 3.61Å; L260-L264 HydrophobicContact CD1-CG 3.99Å; L260-L264 HydrophobicContact CG-CD1 3.92Å; L260-L264 HydrophobicContact CG-CG 4.5Å; L260-L264 WeakPolarHBondContact O-CB 3.5Å; L260-L264 WeakPolarHBondContact O-CG 3.15Å; L260-L264 PolarHBondContact O-N 3.37Å; Q262-L264 VanDerWaalsContact C-N 3.32Å; Q262-L264 PolarHBondContact O-N 3.36Å; L264-T266 HydrophobicContact CB-CG2 3.85Å; L264-T266 PolarHBondContact O-N 3.24Å; L264-T266 VanDerWaalsContact O-N 3.13Å
265	N	96.3	Very high	94.2	Very high	87 Å²	87	62.8 Å²	62.8	47%	0.465	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.2	47	-175	-169.7	29.4	0	0	0	113.2	H261 Q262 K263 Q270	H261-N265 WeakPolarHBondContact O-CA 3.34Å; H261-N265 PolarHBondContact O-N 2.77Å; H261-N265 VanDerWaalsContact O-N 3.12Å; Q262-N265 PolarHBondContact O-N 3.25Å; K263-N265 VanDerWaalsContact C-N 3.29Å; N265-Q270 PolarHBondContact ND2-NE2 3.26Å; N265-Q270 PolarHBondContact O-NE2 3.26Å; N265-Q270 WeakPolarHBondContact OD1-CG 3.5Å
266	T	97.3	Very high	95.1	Very high	35 Å²	35	56.5 Å²	56.5	22%	0.215	30%	0.295	C	S	.	.			trans	-60.7	156.7	-173	64.1	0	0	0	0	112	H261 L264 T268 W269 Q270	H261-T266 PolarHBondContact ND1-OG1 2.87Å; H261-T266 PolarHBondContact O-N 3.12Å; H261-T266 VanDerWaalsContact O-N 3.1Å; L264-T266 HydrophobicContact CB-CG2 3.85Å; L264-T266 PolarHBondContact O-N 3.24Å; L264-T266 VanDerWaalsContact O-N 3.13Å; T266-T268 PolarHBondContact O-N 3.32Å; T266-T268 VanDerWaalsContact O-N 3.15Å; T266-W269 WeakPolarHBondContact O-CA 3.4Å; T266-W269 WeakPolarHBondContact O-CB 3.43Å; T266-W269 PolarHBondContact O-N 3.04Å; T266-W269 PolarHBondContact OG1-N 3.12Å; T266-Q270 PolarHBondContact O-N 3.12Å
267	K	96.7	Very high	95.8	Very high	133 Å²	133	56.3 Å²	56.3	58%	0.578	29%	0.292	S	S	*	.	H	α-helix	trans	-53.6	-36.8	174.2	-177.5	55.7	173.2	157.6	0	112.9	W269 Q270 D271	K267-W269 PolarHBondContact O-N 3.07Å; K267-Q270 PolarHBondContact O-N 3.05Å; K267-D271 WeakPolarHBondContact CE-OD1 3.32Å; K267-D271 WeakPolarHBondContact CE-OD2 3.4Å; K267-D271 IonicContact NZ-OD1 2.6Å; K267-D271 PolarHBondContact NZ-OD1 2.89Å; K267-D271 IonicContact NZ-OD2 3.45Å; K267-D271 WeakPolarHBondContact O-CB 3.27Å; K267-D271 PolarHBondContact O-N 3.23Å
268	T	95.9	Very high	96.2	Very high	27 Å²	27	54.3 Å²	54.3	17%	0.166	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-40.4	175.9	-61.2	0	0	0	0	112.1	T249 K252 M253 T266 H272	T249-T268 HydrophobicContact CG2-CG2 4.28Å; K252-T268 HydrophobicContact CB-CG2 4.16Å; K252-T268 HydrophobicContact CD-CG2 4.2Å; M253-T268 HydrophobicContact CE-CG2 4.3Å; M253-T268 HydrophobicContact CG-CG2 3.86Å; M253-T268 HydrophobicContact SD-CG2 4.14Å; T266-T268 PolarHBondContact O-N 3.32Å; T266-T268 VanDerWaalsContact O-N 3.15Å; T268-H272 VanDerWaalsContact O-CB 3.25Å; T268-H272 WeakPolarHBondContact O-CB 3.46Å; T268-H272 PolarHBondContact O-N 3.3Å
269	W	97.4	Very high	96.3	Very high	13 Å²	13	54.1 Å²	54.1	5%	0.049	28%	0.279	C	S	.	.	H	α-helix	trans	-67.7	-43.3	175.7	177.6	-110.6	0	0	0	112.1	A136 L140 M253 V258 H261 Q262 T266 K267 H272 T273	A136-W269 HydrophobicContact CB-CH2 3.98Å; A136-W269 HydrophobicContact CB-CZ3 4.18Å; L140-W269 HydrophobicContact CB-CZ2 4.47Å; L140-W269 HydrophobicContact CD2-CZ2 3.62Å; M253-W269 HydrophobicContact CE-CE3 4.34Å; M253-W269 HydrophobicContact SD-CE3 3.87Å; V258-W269 HydrophobicContact CG2-CE3 4.02Å; V258-W269 HydrophobicContact CG2-CZ3 3.67Å; H261-W269 HydrophobicContact CB-CB 4.22Å; Q262-W269 HydrophobicContact CG-CD2 3.76Å; Q262-W269 HydrophobicContact CG-CE3 3.87Å; Q262-W269 HydrophobicContact CG-CH2 3.7Å; Q262-W269 HydrophobicContact CG-CZ2 3.55Å; Q262-W269 HydrophobicContact CG-CZ3 3.85Å; Q262-W269 VanDerWaalsContact NE2-CZ2 3.26Å; T266-W269 WeakPolarHBondContact O-CA 3.4Å; T266-W269 WeakPolarHBondContact O-CB 3.43Å; T266-W269 PolarHBondContact O-N 3.04Å; T266-W269 PolarHBondContact OG1-N 3.12Å; K267-W269 PolarHBondContact O-N 3.07Å; W269-H272 PolarHBondContact O-N 2.85Å; W269-T273 WeakPolarHBondContact O-CB 3.41Å; W269-T273 PolarHBondContact O-N 2.83Å; W269-T273 PolarHBondContact O-OG1 2.89Å
270	Q	97.9	Very high	96.4	Very high	83 Å²	83	50.4 Å²	50.4	39%	0.388	26%	0.261	S	S	.	.	H	α-helix	trans	-61	-48.6	177.6	-65.2	175.1	15.2	0	0	111.3	N265 T266 K267 H272 T273 A274	N265-Q270 PolarHBondContact ND2-NE2 3.26Å; N265-Q270 PolarHBondContact O-NE2 3.26Å; N265-Q270 WeakPolarHBondContact OD1-CG 3.5Å; T266-Q270 PolarHBondContact O-N 3.12Å; K267-Q270 PolarHBondContact O-N 3.05Å; Q270-H272 VanDerWaalsContact C-N 3.33Å; Q270-H272 PolarHBondContact O-N 3.29Å; Q270-T273 PolarHBondContact O-N 3.49Å; Q270-A274 WeakPolarHBondContact O-CB 3.4Å; Q270-A274 PolarHBondContact O-N 3.18Å
271	D	97.6	Very high	96.5	Very high	41 Å²	41	49.2 Å²	49.2	22%	0.219	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-39.9	178.3	-69.1	-15.1	0	0	0	111.7	T245 T249 K267 A275	T245-D271 HydrophobicContact CG2-CB 4.31Å; T249-D271 HydrophobicContact CG2-CB 3.95Å; K267-D271 WeakPolarHBondContact CE-OD1 3.32Å; K267-D271 WeakPolarHBondContact CE-OD2 3.4Å; K267-D271 IonicContact NZ-OD1 2.6Å; K267-D271 PolarHBondContact NZ-OD1 2.89Å; K267-D271 IonicContact NZ-OD2 3.45Å; K267-D271 WeakPolarHBondContact O-CB 3.27Å; K267-D271 PolarHBondContact O-N 3.23Å; D271-A275 WeakPolarHBondContact O-CB 3.11Å; D271-A275 PolarHBondContact O-N 2.79Å
272	H	97.1	Very high	96.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.9	-45.2	176.1	-169.6	68.9	0	0	0	112	W134 T249 M253 T268 W269 Q270 A275 W276	W134-H272 AromaticContact CD1-CE1 3.97Å; W134-H272 AromaticContact CD1-NE2 3.97Å; T249-H272 WeakPolarHBondContact OG1-CB 3.01Å; T249-H272 PolarHBondContact OG1-ND1 3.32Å; M253-H272 HydrophobicContact CE-CB 3.53Å; T268-H272 VanDerWaalsContact O-CB 3.25Å; T268-H272 WeakPolarHBondContact O-CB 3.46Å; T268-H272 PolarHBondContact O-N 3.3Å; W269-H272 PolarHBondContact O-N 2.85Å; Q270-H272 VanDerWaalsContact C-N 3.33Å; Q270-H272 PolarHBondContact O-N 3.29Å; H272-A275 PolarHBondContact O-N 3.15Å; H272-W276 AromaticContact CD2-CD1 3.61Å; H272-W276 AromaticContact CD2-NE1 3.79Å; H272-W276 AromaticContact CE1-CD1 3.6Å; H272-W276 AromaticContact CE1-NE1 3.12Å; H272-W276 PolarHBondContact CE1-NE1 3.42Å; H272-W276 AromaticContact ND1-NE1 3.97Å; H272-W276 AromaticContact NE2-CD1 3.32Å; H272-W276 VanDerWaalsContact NE2-CD1 3.32Å; H272-W276 AromaticContact NE2-NE1 2.98Å; H272-W276 PolarHBondContact NE2-NE1 3.48Å; H272-W276 VanDerWaalsContact O-CD1 3.29Å; H272-W276 PolarHBondContact O-N 3.42Å
273	T	97.8	Very high	96.2	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.043	25%	0.245	C	C	.	.	H	α-helix	trans	-66.9	-46.1	-179.3	-54.4	0	0	0	0	110.8	Y137 L140 W269 Q270 A275 W276 D277	Y137-T273 HydrophobicContact CD2-CG2 3.92Å; Y137-T273 HydrophobicContact CE2-CG2 3.9Å; L140-T273 HydrophobicContact CD2-CG2 4.07Å; W269-T273 WeakPolarHBondContact O-CB 3.41Å; W269-T273 PolarHBondContact O-N 2.83Å; W269-T273 PolarHBondContact O-OG1 2.89Å; Q270-T273 PolarHBondContact O-N 3.49Å; T273-A275 VanDerWaalsContact C-N 3.34Å; T273-A275 PolarHBondContact O-N 3.05Å; T273-W276 PolarHBondContact O-N 3.02Å; T273-D277 WeakPolarHBondContact O-CB 3.5Å; T273-D277 PolarHBondContact O-N 3.21Å
274	A	97.9	Very high	96.2	Very high	58 Å²	58	39.7 Å²	39.7	48%	0.479	22%	0.219	S	C	.	.	H	α-helix	trans	-63	-39.7	177.6	0	0	0	0	0	112.3	Q270 D277 C278	Q270-A274 WeakPolarHBondContact O-CB 3.4Å; Q270-A274 PolarHBondContact O-N 3.18Å; A274-D277 PolarHBondContact O-N 2.94Å; A274-C278 PolarHBondContact O-N 3.04Å
275	A	97.1	Very high	96.1	Very high	7 Å²	7	37.2 Å²	37.2	6%	0.058	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-46.5	175.4	0	0	0	0	0	111.7	A242 T245 M246 D271 H272 T273 C278 I279	A242-A275 WeakPolarHBondContact O-CB 3.2Å; T245-A275 HydrophobicContact CG2-CB 4.02Å; M246-A275 HydrophobicContact CB-CB 3.99Å; D271-A275 WeakPolarHBondContact O-CB 3.11Å; D271-A275 PolarHBondContact O-N 2.79Å; H272-A275 PolarHBondContact O-N 3.15Å; T273-A275 VanDerWaalsContact C-N 3.34Å; T273-A275 PolarHBondContact O-N 3.05Å; A275-C278 PolarHBondContact O-N 3.17Å; A275-I279 WeakPolarHBondContact O-CD1 3.3Å; A275-I279 VanDerWaalsContact O-CG1 3.25Å; A275-I279 WeakPolarHBondContact O-CG1 3.38Å; A275-I279 PolarHBondContact O-N 3.25Å
276	W	97.3	Very high	95.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66	-37.4	175.2	-82.7	119.9	0	0	0	113.5	W134 Y137 M246 H272 T273 C278 I279 F280 T322 I326	W134-W276 HydrophobicContact CB-CZ2 4.42Å; W134-W276 AromaticContact CD1-CZ2 3.79Å; W134-W276 AromaticContact CD1-NE1 4Å; W134-W276 HydrophobicContact CD2-CH2 4.22Å; W134-W276 AromaticContact CD2-CZ2 3.62Å; W134-W276 HydrophobicContact CD2-CZ2 3.62Å; W134-W276 AromaticContact CE2-CZ2 3.67Å; W134-W276 HydrophobicContact CE3-CH2 4.3Å; W134-W276 HydrophobicContact CE3-CZ2 4.15Å; W134-W276 AromaticContact CG-CZ2 3.73Å; W134-W276 HydrophobicContact CG-CZ2 3.73Å; W134-W276 HydrophobicContact CZ2-CZ2 4.24Å; W134-W276 AromaticContact NE1-CZ2 3.77Å; Y137-W276 HydrophobicContact CD1-CB 3.7Å; Y137-W276 AromaticContact CD1-CD1 3.99Å; Y137-W276 HydrophobicContact CD1-CD2 4.21Å; Y137-W276 AromaticContact CD1-CG 3.73Å; Y137-W276 HydrophobicContact CD1-CG 3.73Å; Y137-W276 HydrophobicContact CD2-CB 3.62Å; Y137-W276 HydrophobicContact CD2-CG 4.1Å; Y137-W276 HydrophobicContact CE1-CB 3.44Å; Y137-W276 VanDerWaalsContact CE1-CB 3.44Å; Y137-W276 HydrophobicContact CE1-CD2 4.41Å; Y137-W276 AromaticContact CE1-CG 3.92Å; Y137-W276 HydrophobicContact CE1-CG 3.92Å; Y137-W276 HydrophobicContact CE2-CB 3.31Å; Y137-W276 HydrophobicContact CE2-CG 4.24Å; Y137-W276 HydrophobicContact CG-CB 3.8Å; Y137-W276 AromaticContact CG-CD1 3.73Å; Y137-W276 AromaticContact CG-CG 3.84Å; Y137-W276 HydrophobicContact CG-CG 3.84Å; Y137-W276 PolarHBondContact OH-O 3.42Å; M246-W276 HydrophobicContact CE-CH2 4Å; M246-W276 HydrophobicContact CE-CZ2 3.93Å; M246-W276 HydrophobicContact CG-CD2 3.81Å; M246-W276 HydrophobicContact CG-CG 4.13Å; M246-W276 HydrophobicContact CG-CH2 4.36Å; M246-W276 HydrophobicContact CG-CZ2 3.62Å; M246-W276 HydrophobicContact SD-CH2 4.17Å; M246-W276 HydrophobicContact SD-CZ2 3.47Å; M246-W276 WeakPolarHBondContact SD-CZ2 3.41Å; H272-W276 AromaticContact CD2-CD1 3.61Å; H272-W276 AromaticContact CD2-NE1 3.79Å; H272-W276 AromaticContact CE1-CD1 3.6Å; H272-W276 AromaticContact CE1-NE1 3.12Å; H272-W276 PolarHBondContact CE1-NE1 3.42Å; H272-W276 AromaticContact ND1-NE1 3.97Å; H272-W276 AromaticContact NE2-CD1 3.32Å; H272-W276 VanDerWaalsContact NE2-CD1 3.32Å; H272-W276 AromaticContact NE2-NE1 2.98Å; H272-W276 PolarHBondContact NE2-NE1 3.48Å; H272-W276 VanDerWaalsContact O-CD1 3.29Å; H272-W276 PolarHBondContact O-N 3.42Å; T273-W276 PolarHBondContact O-N 3.02Å; W276-C278 VanDerWaalsContact C-N 3.29Å; W276-C278 PolarHBondContact O-N 3.35Å; W276-I279 HydrophobicContact CD2-CD1 4.47Å; W276-I279 HydrophobicContact CE3-CB 4.27Å; W276-I279 HydrophobicContact CE3-CD1 4.03Å; W276-I279 HydrophobicContact CE3-CG2 4.1Å; W276-I279 HydrophobicContact CZ3-CD1 4.39Å; W276-I279 HydrophobicContact CZ3-CG2 4.15Å; W276-I279 PolarHBondContact O-N 3.03Å; W276-F280 HydrophobicContact CD2-CE2 4.49Å; W276-F280 AromaticContact CE3-CD2 3.87Å; W276-F280 HydrophobicContact CE3-CD2 3.87Å; W276-F280 AromaticContact CE3-CE2 3.61Å; W276-F280 HydrophobicContact CE3-CE2 3.61Å; W276-F280 AromaticContact CZ3-CE2 3.93Å; W276-F280 HydrophobicContact CZ3-CE2 3.93Å; W276-F280 WeakPolarHBondContact O-CB 3.41Å; W276-F280 WeakPolarHBondContact O-CD2 3.45Å; W276-F280 PolarHBondContact O-N 2.92Å; W276-T322 HydrophobicContact CZ3-CG2 4.1Å; W276-I326 HydrophobicContact CH2-CD1 3.47Å; W276-I326 VanDerWaalsContact CH2-CD1 3.47Å; W276-I326 HydrophobicContact CZ3-CD1 3.41Å; W276-I326 VanDerWaalsContact CZ3-CD1 3.41Å
277	D	97.3	Very high	95.6	Very high	54 Å²	54	32 Å²	32	29%	0.289	18%	0.178	S	C	.	.	H	α-helix	trans	-59.1	-42.5	176	-73.2	-19.6	0	0	0	110.7	Y137 R141 T273 A274 S281	Y137-D277 VanDerWaalsContact CE2-OD1 3.26Å; Y137-D277 WeakPolarHBondContact CE2-OD1 3.32Å; Y137-D277 WeakPolarHBondContact OH-CA 3.5Å; Y137-D277 PolarHBondContact OH-N 2.8Å; Y137-D277 PolarHBondContact OH-OD1 3.45Å; R141-D277 IonicContact CZ-OD1 3.08Å; R141-D277 IonicContact CZ-OD2 2.68Å; R141-D277 IonicContact NE-OD1 3.63Å; R141-D277 PolarHBondContact NE-OD1 3Å; R141-D277 IonicContact NE-OD2 3.2Å; R141-D277 PolarHBondContact NE-OD2 3.49Å; R141-D277 IonicContact NH2-OD1 2.7Å; R141-D277 IonicContact NH2-OD2 3.6Å; R141-D277 PolarHBondContact NH2-OD2 3.06Å; T273-D277 WeakPolarHBondContact O-CB 3.5Å; T273-D277 PolarHBondContact O-N 3.21Å; A274-D277 PolarHBondContact O-N 2.94Å; D277-S281 VanDerWaalsContact O-CB 3.28Å; D277-S281 WeakPolarHBondContact O-CB 3.3Å; D277-S281 PolarHBondContact O-N 3.07Å; D277-S281 PolarHBondContact O-OG 2.85Å
278	C	95.5	Very high	95.5	Very high	39 Å²	39	27.6 Å²	27.6	26%	0.264	16%	0.161	S	C	.	.	H	α-helix	trans	-64.5	-44.9	173.6	178.7	0	0	0	0	112.5	A242 A274 A275 W276 F280 S281 T282	A242-C278 HydrophobicContact CB-CB 3.91Å; A274-C278 PolarHBondContact O-N 3.04Å; A275-C278 PolarHBondContact O-N 3.17Å; W276-C278 VanDerWaalsContact C-N 3.29Å; W276-C278 PolarHBondContact O-N 3.35Å; C278-F280 PolarHBondContact O-N 3.18Å; C278-S281 PolarHBondContact O-N 3.32Å; C278-S281 PolarHBondContact O-OG 3.11Å; C278-T282 PolarHBondContact O-N 3.03Å; C278-T282 VanDerWaalsContact O-N 3.13Å; C278-T282 PolarHBondContact O-OG1 3.38Å; C278-T282 VanDerWaalsContact O-OG1 3.12Å
279	I	94.9	Very high	95.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60	-49.4	178.7	-70.2	164	0	0	0	110.7	F239 A242 V243 M246 A275 W276 A283 T322 I326	F239-I279 HydrophobicContact CE2-CB 4.19Å; F239-I279 HydrophobicContact CE2-CG1 4.32Å; F239-I279 HydrophobicContact CE2-CG2 3.88Å; F239-I279 HydrophobicContact CZ-CG2 4.02Å; A242-I279 HydrophobicContact CB-CD1 4.43Å; A242-I279 HydrophobicContact CB-CG1 3.89Å; V243-I279 HydrophobicContact CG2-CD1 3.89Å; V243-I279 HydrophobicContact CG2-CG1 3.99Å; M246-I279 HydrophobicContact CB-CD1 3.93Å; M246-I279 HydrophobicContact CG-CD1 4.2Å; A275-I279 WeakPolarHBondContact O-CD1 3.3Å; A275-I279 VanDerWaalsContact O-CG1 3.25Å; A275-I279 WeakPolarHBondContact O-CG1 3.38Å; A275-I279 PolarHBondContact O-N 3.25Å; W276-I279 HydrophobicContact CD2-CD1 4.47Å; W276-I279 HydrophobicContact CE3-CB 4.27Å; W276-I279 HydrophobicContact CE3-CD1 4.03Å; W276-I279 HydrophobicContact CE3-CG2 4.1Å; W276-I279 HydrophobicContact CZ3-CD1 4.39Å; W276-I279 HydrophobicContact CZ3-CG2 4.15Å; W276-I279 PolarHBondContact O-N 3.03Å; I279-A283 WeakPolarHBondContact O-CB 3.25Å; I279-A283 PolarHBondContact O-N 2.99Å; I279-T322 HydrophobicContact CG2-CG2 3.33Å; I279-I326 HydrophobicContact CG2-CD1 4.23Å
280	F	95.8	Very high	94.8	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.009	17%	0.169	C	C	.	.	H	α-helix	trans	-69.1	-38.1	-178.3	-92.3	-85.3	0	0	0	112.5	Y137 R138 E143 W276 C278 A283 K284 A319 T322	Y137-F280 HydrophobicContact CD1-CE2 4.49Å; Y137-F280 AromaticContact CE1-CD2 3.73Å; Y137-F280 HydrophobicContact CE1-CD2 3.73Å; Y137-F280 AromaticContact CE1-CE2 3.79Å; Y137-F280 HydrophobicContact CE1-CE2 3.79Å; R138-F280 VanDerWaalsContact CZ-CZ 3.42Å; R138-F280 VanDerWaalsContact NE-CE2 3.3Å; R138-F280 VanDerWaalsContact NE-CZ 3.31Å; E143-F280 HydrophobicContact CB-CE1 4.43Å; E143-F280 HydrophobicContact CG-CD1 4.42Å; E143-F280 HydrophobicContact CG-CE1 4.43Å; W276-F280 HydrophobicContact CD2-CE2 4.49Å; W276-F280 AromaticContact CE3-CD2 3.87Å; W276-F280 HydrophobicContact CE3-CD2 3.87Å; W276-F280 AromaticContact CE3-CE2 3.61Å; W276-F280 HydrophobicContact CE3-CE2 3.61Å; W276-F280 AromaticContact CZ3-CE2 3.93Å; W276-F280 HydrophobicContact CZ3-CE2 3.93Å; W276-F280 WeakPolarHBondContact O-CB 3.41Å; W276-F280 WeakPolarHBondContact O-CD2 3.45Å; W276-F280 PolarHBondContact O-N 2.92Å; C278-F280 PolarHBondContact O-N 3.18Å; F280-A283 PolarHBondContact O-N 3.01Å; F280-K284 VanDerWaalsContact O-CB 3.31Å; F280-K284 WeakPolarHBondContact O-CB 3.38Å; F280-K284 WeakPolarHBondContact O-CD 3.4Å; F280-K284 WeakPolarHBondContact O-CG 3.14Å; F280-K284 PolarHBondContact O-N 3.35Å; F280-A319 HydrophobicContact CE1-CB 4.39Å; F280-A319 HydrophobicContact CZ-CB 4.48Å; F280-T322 HydrophobicContact CE2-CG2 4.36Å; F280-T322 HydrophobicContact CZ-CG2 4.42Å
281	S	94.8	Very high	94.4	Very high	64 Å²	64	26.6 Å²	26.6	45%	0.448	15%	0.154	S	C	.	.	H	α-helix	trans	-63.2	-46.6	178.6	66.9	0	0	0	0	111	D277 C278 V285	D277-S281 VanDerWaalsContact O-CB 3.28Å; D277-S281 WeakPolarHBondContact O-CB 3.3Å; D277-S281 PolarHBondContact O-N 3.07Å; D277-S281 PolarHBondContact O-OG 2.85Å; C278-S281 PolarHBondContact O-N 3.32Å; C278-S281 PolarHBondContact O-OG 3.11Å; S281-V285 WeakPolarHBondContact O-CG2 3.29Å; S281-V285 PolarHBondContact O-N 3.18Å
282	T	91.9	Very high	93.9	Very high	13 Å²	13	31.6 Å²	31.6	8%	0.08	18%	0.176	C	C	.	.	H	α-helix	trans	-61.1	-51.7	174.9	-58.4	0	0	0	0	111	F239 C278 K284 V285 Y286	F239-T282 HydrophobicContact CD2-CG2 3.7Å; F239-T282 HydrophobicContact CE2-CG2 4.37Å; F239-T282 HydrophobicContact CG-CG2 4.48Å; C278-T282 PolarHBondContact O-N 3.03Å; C278-T282 VanDerWaalsContact O-N 3.13Å; C278-T282 PolarHBondContact O-OG1 3.38Å; C278-T282 VanDerWaalsContact O-OG1 3.12Å; T282-K284 VanDerWaalsContact C-N 3.33Å; T282-K284 PolarHBondContact O-N 3.44Å; T282-V285 PolarHBondContact O-N 3.2Å; T282-Y286 HydrophobicContact CG2-CD2 3.78Å; T282-Y286 HydrophobicContact CG2-CE2 3.78Å; T282-Y286 VanDerWaalsContact O-CD2 3.27Å; T282-Y286 WeakPolarHBondContact O-CD2 3.27Å; T282-Y286 PolarHBondContact O-N 3.31Å; T282-Y286 VanDerWaalsContact O-N 3.17Å
283	A	92.7	Very high	93.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58	-44.3	-178.3	0	0	0	0	0	112.1	I279 F280 V285 Y286 I287 T322	I279-A283 WeakPolarHBondContact O-CB 3.25Å; I279-A283 PolarHBondContact O-N 2.99Å; F280-A283 PolarHBondContact O-N 3.01Å; A283-V285 PolarHBondContact O-N 3.47Å; A283-Y286 PolarHBondContact O-N 3.46Å; A283-I287 HydrophobicContact CB-CD1 4.35Å; A283-I287 WeakPolarHBondContact O-CB 3.37Å; A283-I287 VanDerWaalsContact O-CD1 3.28Å; A283-I287 WeakPolarHBondContact O-CD1 3.07Å; A283-I287 WeakPolarHBondContact O-CG1 3.35Å; A283-I287 PolarHBondContact O-N 2.66Å; A283-T322 VanDerWaalsContact CB-OG1 3.24Å; A283-T322 WeakPolarHBondContact CB-OG1 3.27Å
284	K	94.8	Very high	92.3	Very high	55 Å²	55	37.4 Å²	37.4	24%	0.239	20%	0.199	C	C	.	.	H	α-helix	trans	-58.4	-49	177.4	-75.7	170.3	-179	179.7	0	112.2	E143 F280 T282 Y286 I287 D288 Y318	E143-K284 IonicContact OE1-NZ 3.47Å; E143-K284 PolarHBondContact OE1-NZ 3.49Å; E143-K284 IonicContact OE2-NZ 3.77Å; E143-K284 PolarHBondContact OE2-NZ 2.98Å; F280-K284 VanDerWaalsContact O-CB 3.31Å; F280-K284 WeakPolarHBondContact O-CB 3.38Å; F280-K284 WeakPolarHBondContact O-CD 3.4Å; F280-K284 WeakPolarHBondContact O-CG 3.14Å; F280-K284 PolarHBondContact O-N 3.35Å; T282-K284 VanDerWaalsContact C-N 3.33Å; T282-K284 PolarHBondContact O-N 3.44Å; K284-Y286 VanDerWaalsContact C-N 3.3Å; K284-Y286 PolarHBondContact O-N 3.42Å; K284-I287 PolarHBondContact O-N 3.27Å; K284-D288 WeakPolarHBondContact O-CB 3.41Å; K284-D288 PolarHBondContact O-N 3.02Å; K284-Y318 HydrophobicContact CB-CE1 4.45Å; K284-Y318 HydrophobicContact CD-CD2 4.23Å; K284-Y318 HydrophobicContact CD-CE2 4.42Å; K284-Y318 HydrophobicContact CG-CD1 3.95Å; K284-Y318 HydrophobicContact CG-CD2 3.7Å; K284-Y318 HydrophobicContact CG-CE1 4.19Å; K284-Y318 HydrophobicContact CG-CE2 3.96Å; K284-Y318 HydrophobicContact CG-CG 3.71Å
285	V	93.4	Very high	90.9	Very high	64 Å²	64	37.6 Å²	37.6	39%	0.388	20%	0.201	S	C	.	.	H	α-helix	trans	-56	-46.2	179.5	168.5	0	0	0	0	111.1	S281 T282 A283 K289	S281-V285 WeakPolarHBondContact O-CG2 3.29Å; S281-V285 PolarHBondContact O-N 3.18Å; T282-V285 PolarHBondContact O-N 3.2Å; A283-V285 PolarHBondContact O-N 3.47Å; V285-K289 HydrophobicContact CG1-CD 4.06Å; V285-K289 WeakPolarHBondContact O-CB 3.47Å; V285-K289 VanDerWaalsContact O-CG 3.24Å; V285-K289 WeakPolarHBondContact O-CG 3.38Å; V285-K289 PolarHBondContact O-N 3.34Å
286	Y	91.8	Very high	89.2	Confident	12 Å²	12	45 Å²	45	5%	0.047	24%	0.239	C	C	.	.	H	α-helix	trans	-73.9	-34.7	-178.1	-79	-73.8	0	0	0	113.5	Y221 N223 F225 E235 T282 A283 K284 R290	Y221-Y286 HydrophobicContact CG-CG 4.45Å; N223-Y286 HydrophobicContact CB-CD1 4.2Å; N223-Y286 HydrophobicContact CB-CE1 4.33Å; N223-Y286 WeakPolarHBondContact ND2-CE1 2.99Å; F225-Y286 HydrophobicContact CE1-CD2 4.11Å; F225-Y286 HydrophobicContact CE1-CE1 4.22Å; F225-Y286 AromaticContact CE1-CE2 3.5Å; F225-Y286 HydrophobicContact CE1-CE2 3.5Å; F225-Y286 VanDerWaalsContact CE1-CE2 3.5Å; F225-Y286 AromaticContact CE1-CZ 3.56Å; F225-Y286 HydrophobicContact CE2-CD1 4.39Å; F225-Y286 HydrophobicContact CE2-CE1 4.28Å; F225-Y286 AromaticContact CZ-CD1 3.93Å; F225-Y286 HydrophobicContact CZ-CD1 3.93Å; F225-Y286 AromaticContact CZ-CD2 3.64Å; F225-Y286 HydrophobicContact CZ-CD2 3.64Å; F225-Y286 AromaticContact CZ-CE1 3.75Å; F225-Y286 HydrophobicContact CZ-CE1 3.75Å; F225-Y286 AromaticContact CZ-CE2 3.47Å; F225-Y286 HydrophobicContact CZ-CE2 3.47Å; F225-Y286 VanDerWaalsContact CZ-CE2 3.47Å; F225-Y286 AromaticContact CZ-CG 3.89Å; F225-Y286 HydrophobicContact CZ-CG 3.89Å; F225-Y286 AromaticContact CZ-CZ 3.52Å; E235-Y286 VanDerWaalsContact OE1-CE2 3.27Å; E235-Y286 WeakPolarHBondContact OE1-CE2 3.3Å; E235-Y286 PolarHBondContact OE2-OH 3.01Å; T282-Y286 HydrophobicContact CG2-CD2 3.78Å; T282-Y286 HydrophobicContact CG2-CE2 3.78Å; T282-Y286 VanDerWaalsContact O-CD2 3.27Å; T282-Y286 WeakPolarHBondContact O-CD2 3.27Å; T282-Y286 PolarHBondContact O-N 3.31Å; T282-Y286 VanDerWaalsContact O-N 3.17Å; A283-Y286 PolarHBondContact O-N 3.46Å; K284-Y286 VanDerWaalsContact C-N 3.3Å; K284-Y286 PolarHBondContact O-N 3.42Å; Y286-R290 PolarHBondContact O-N 3.47Å
287	I	92.8	Very high	87.4	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66.8	-48.2	174.9	-66.6	161.8	0	0	0	109.8	Y221 A283 K284 K289 R290 L291 L317 Y318 I321	Y221-I287 HydrophobicContact CD1-CG1 3.99Å; Y221-I287 HydrophobicContact CE1-CD1 4.16Å; Y221-I287 HydrophobicContact CE1-CG1 3.68Å; A283-I287 HydrophobicContact CB-CD1 4.35Å; A283-I287 WeakPolarHBondContact O-CB 3.37Å; A283-I287 VanDerWaalsContact O-CD1 3.28Å; A283-I287 WeakPolarHBondContact O-CD1 3.07Å; A283-I287 WeakPolarHBondContact O-CG1 3.35Å; A283-I287 PolarHBondContact O-N 2.66Å; K284-I287 PolarHBondContact O-N 3.27Å; I287-K289 PolarHBondContact O-N 2.95Å; I287-R290 WeakPolarHBondContact O-CB 3.38Å; I287-R290 PolarHBondContact O-N 2.87Å; I287-R290 VanDerWaalsContact O-N 3.11Å; I287-L291 HydrophobicContact CG2-CD1 4.06Å; I287-L291 HydrophobicContact CG2-CG 4.31Å; I287-L291 WeakPolarHBondContact O-CG 3.29Å; I287-L291 PolarHBondContact O-N 3.23Å; I287-L317 HydrophobicContact CG2-CD2 3.9Å; I287-L317 HydrophobicContact CG2-CG 4.38Å; I287-Y318 HydrophobicContact CB-CD1 4Å; I287-Y318 HydrophobicContact CB-CE1 3.99Å; I287-Y318 HydrophobicContact CD1-CD1 3.73Å; I287-Y318 HydrophobicContact CG1-CD1 4.47Å; I287-Y318 HydrophobicContact CG2-CD1 3.82Å; I287-Y318 HydrophobicContact CG2-CE1 3.71Å; I287-I321 HydrophobicContact CD1-CB 3.77Å; I287-I321 HydrophobicContact CD1-CD1 3.77Å; I287-I321 HydrophobicContact CD1-CG1 4.34Å; I287-I321 HydrophobicContact CD1-CG2 3.81Å; I287-I321 HydrophobicContact CG1-CB 4.47Å; I287-I321 HydrophobicContact CG1-CD1 3.8Å; I287-I321 HydrophobicContact CG1-CG2 4.13Å; I287-I321 HydrophobicContact CG2-CD1 4.25Å
288	D	92.9	Very high	85.9	Confident	40 Å²	40	55.2 Å²	55.2	21%	0.214	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-43.6	178.7	-73.2	-32.9	0	0	0	111.4	K284 R290 L291 E292 K314 Y318	K284-D288 WeakPolarHBondContact O-CB 3.41Å; K284-D288 PolarHBondContact O-N 3.02Å; D288-R290 VanDerWaalsContact C-N 3.27Å; D288-R290 PolarHBondContact O-N 3.19Å; D288-L291 PolarHBondContact O-N 3.43Å; D288-E292 WeakPolarHBondContact O-CB 3.49Å; D288-E292 WeakPolarHBondContact O-CG 3.25Å; D288-E292 PolarHBondContact O-N 2.87Å; D288-K314 IonicContact OD1-NZ 2.66Å; D288-Y318 PolarHBondContact OD1-OH 2.96Å; D288-Y318 PolarHBondContact OD2-OH 3.19Å
289	K	91	Very high	84.3	Confident	84 Å²	84	58.5 Å²	58.5	37%	0.365	30%	0.298	S	S	.	.	H	α-helix	trans	-56.1	-39.4	172.7	-79.4	174.5	179.5	175.3	0	112.5	V285 I287 R293	V285-K289 HydrophobicContact CG1-CD 4.06Å; V285-K289 WeakPolarHBondContact O-CB 3.47Å; V285-K289 VanDerWaalsContact O-CG 3.24Å; V285-K289 WeakPolarHBondContact O-CG 3.38Å; V285-K289 PolarHBondContact O-N 3.34Å; I287-K289 PolarHBondContact O-N 2.95Å; K289-R293 WeakPolarHBondContact O-CD 3.28Å; K289-R293 WeakPolarHBondContact O-CG 3.33Å; K289-R293 PolarHBondContact O-N 3.49Å
290	R	89.2	Confident	82.9	Confident	3 Å²	3	63 Å²	63	1%	0.011	32%	0.323	C	S	.	.	H	α-helix	trans	-68.2	-48.6	177.3	-178.5	179.5	-179.9	155.3	7.6	111.3	I219 L220 Y286 I287 D288 E292 R293 N294 D301	I219-R290 PolarHBondContact O-NH1 3.45Å; L220-R290 PolarHBondContact O-NH1 3.2Å; Y286-R290 PolarHBondContact O-N 3.47Å; I287-R290 WeakPolarHBondContact O-CB 3.38Å; I287-R290 PolarHBondContact O-N 2.87Å; I287-R290 VanDerWaalsContact O-N 3.11Å; D288-R290 VanDerWaalsContact C-N 3.27Å; D288-R290 PolarHBondContact O-N 3.19Å; R290-E292 VanDerWaalsContact C-N 3.29Å; R290-E292 PolarHBondContact O-N 3.34Å; R290-R293 PolarHBondContact O-N 2.93Å; R290-N294 WeakPolarHBondContact O-CB 3.42Å; R290-N294 PolarHBondContact O-N 3.17Å; R290-N294 VanDerWaalsContact O-N 3.09Å; R290-D301 IonicContact CZ-OD1 2.94Å; R290-D301 IonicContact CZ-OD2 3.39Å; R290-D301 VanDerWaalsContact CZ-OD2 3.24Å; R290-D301 IonicContact NE-OD1 3.13Å; R290-D301 PolarHBondContact NE-OD1 3.46Å; R290-D301 VanDerWaalsContact NE-OD1 3.09Å; R290-D301 IonicContact NE-OD2 3.6Å; R290-D301 PolarHBondContact NE-OD2 3.48Å; R290-D301 IonicContact NH2-OD1 3.62Å; R290-D301 PolarHBondContact NH2-OD1 2.71Å; R290-D301 IonicContact NH2-OD2 3.34Å; R290-D301 PolarHBondContact NH2-OD2 3.22Å
291	L	88	Confident	82.1	Confident	15 Å²	15	63 Å²	63	8%	0.079	32%	0.323	C	S	.	.	H	α-helix	trans	-58.1	-41.8	178.3	-65.8	176.7	0	0	0	111.3	I287 D288 A295 I303 D304 L307 L317	I287-L291 HydrophobicContact CG2-CD1 4.06Å; I287-L291 HydrophobicContact CG2-CG 4.31Å; I287-L291 WeakPolarHBondContact O-CG 3.29Å; I287-L291 PolarHBondContact O-N 3.23Å; D288-L291 PolarHBondContact O-N 3.43Å; L291-A295 PolarHBondContact O-N 2.98Å; L291-A295 VanDerWaalsContact O-N 3.14Å; L291-I303 HydrophobicContact CD2-CG2 3.91Å; L291-D304 WeakPolarHBondContact CD2-OD1 3.4Å; L291-L307 HydrophobicContact CD1-CD2 4.2Å; L291-L307 HydrophobicContact CD2-CD2 3.8Å; L291-L317 HydrophobicContact CD1-CD2 4.27Å; L291-L317 HydrophobicContact CD2-CD2 4.34Å
292	E	88	Confident	81.3	Confident	147 Å²	147	60.6 Å²	60.6	69%	0.687	31%	0.305	S	S	*	.	H	α-helix	trans	-66.1	-41.6	178	-73.8	172.6	-175.6	0	0	112.9	D288 R290 N294	D288-E292 WeakPolarHBondContact O-CB 3.49Å; D288-E292 WeakPolarHBondContact O-CG 3.25Å; D288-E292 PolarHBondContact O-N 2.87Å; R290-E292 VanDerWaalsContact C-N 3.29Å; R290-E292 PolarHBondContact O-N 3.34Å; E292-N294 VanDerWaalsContact C-N 3.34Å; E292-N294 PolarHBondContact O-N 3.5Å
293	R	83.9	Confident	80.8	Confident	108 Å²	108	60 Å²	60	41%	0.408	30%	0.301	S	S	.	.	H	α-helix	trans	-65.5	-37.3	178.6	-72.9	170.1	-157	178.7	3.3	112.4	K289 R290 R297	K289-R293 WeakPolarHBondContact O-CD 3.28Å; K289-R293 WeakPolarHBondContact O-CG 3.33Å; K289-R293 PolarHBondContact O-N 3.49Å; R290-R293 PolarHBondContact O-N 2.93Å; R293-R297 WeakPolarHBondContact O-CD 3.37Å
294	N	77.4	Confident	80.1	Confident	20 Å²	20	60.7 Å²	60.7	11%	0.107	31%	0.305	C	S	.	.	H	α-helix	trans	-94.7	-9.6	-170.2	-70.9	-20.7	0	0	0	114.3	R290 E292 N296 R297 D301 D304	R290-N294 WeakPolarHBondContact O-CB 3.42Å; R290-N294 PolarHBondContact O-N 3.17Å; R290-N294 VanDerWaalsContact O-N 3.09Å; E292-N294 VanDerWaalsContact C-N 3.34Å; E292-N294 PolarHBondContact O-N 3.5Å; N294-N296 PolarHBondContact O-N 3.22Å; N294-R297 PolarHBondContact O-N 3.46Å; N294-D301 HydrophobicContact CB-CB 4.5Å; N294-D301 PolarHBondContact ND2-OD1 3.45Å; N294-D301 PolarHBondContact ND2-OD2 3.19Å; N294-D304 WeakPolarHBondContact CB-OD2 3.41Å
295	A	68.1	Low	79.3	Confident	63 Å²	63	59 Å²	59	52%	0.521	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-16.2	-179	0	0	0	0	0	115.9	L291	L291-A295 PolarHBondContact O-N 2.98Å; L291-A295 VanDerWaalsContact O-N 3.14Å
296	N	60.8	Low	78.8	Confident	162 Å²	162	56 Å²	56	87%	0.866	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.3	17.4	174.2	-67.1	-59.4	0	0	0	115.1	N294	N294-N296 PolarHBondContact O-N 3.22Å
297	R	60.8	Low	78.2	Confident	214 Å²	214	57.2 Å²	57.2	81%	0.808	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.2	-32.8	-164.1	-68.6	-172.1	-179.8	-177.8	0.8	117.2	R293 N294	R293-R297 WeakPolarHBondContact O-CD 3.37Å; N294-R297 PolarHBondContact O-N 3.46Å
298	D	66.1	Low	77.3	Confident	54 Å²	54	64 Å²	64	29%	0.289	32%	0.319	S	S	.	.			trans	-135.8	101.9	-175.4	-172.3	-0.8	0	0	0	110.7	D300 D301	D298-D300 PolarHBondContact O-N 2.58Å; D298-D300 PolarHBondContact OD1-N 3.23Å; D298-D301 HydrophobicContact CB-CB 4.34Å; D298-D301 PolarHBondContact O-N 2.89Å
299	P	61.4	Low	76.1	Confident	108 Å²	108	68.5 Å²	68.5	70%	0.701	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-7.5	178	29.9	-33.7	0	0	0	113.4
300	D	65.7	Low	74.9	Confident	96 Å²	96	66 Å²	66	51%	0.513	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	12.9	179.4	-80.1	-60.7	0	0	0	112.7	K174 D298 L302	K174-D300 IonicContact NZ-OD1 2.84Å; D298-D300 PolarHBondContact O-N 2.58Å; D298-D300 PolarHBondContact OD1-N 3.23Å; D300-L302 PolarHBondContact O-N 2.95Å
301	D	77.9	Confident	74.1	Confident	1 Å²	1	76.4 Å²	76.4	1%	0.005	37%	0.371	C	S	.	.			trans	-66.2	124.5	-179.6	-174.1	-96.2	0	0	0	112.4	R290 N294 D298 I303 D304 D305	R290-D301 IonicContact CZ-OD1 2.94Å; R290-D301 IonicContact CZ-OD2 3.39Å; R290-D301 VanDerWaalsContact CZ-OD2 3.24Å; R290-D301 IonicContact NE-OD1 3.13Å; R290-D301 PolarHBondContact NE-OD1 3.46Å; R290-D301 VanDerWaalsContact NE-OD1 3.09Å; R290-D301 IonicContact NE-OD2 3.6Å; R290-D301 PolarHBondContact NE-OD2 3.48Å; R290-D301 IonicContact NH2-OD1 3.62Å; R290-D301 PolarHBondContact NH2-OD1 2.71Å; R290-D301 IonicContact NH2-OD2 3.34Å; R290-D301 PolarHBondContact NH2-OD2 3.22Å; N294-D301 HydrophobicContact CB-CB 4.5Å; N294-D301 PolarHBondContact ND2-OD1 3.45Å; N294-D301 PolarHBondContact ND2-OD2 3.19Å; D298-D301 HydrophobicContact CB-CB 4.34Å; D298-D301 PolarHBondContact O-N 2.89Å; D301-I303 PolarHBondContact O-N 2.9Å; D301-I303 VanDerWaalsContact O-N 3.14Å; D301-I303 WeakPolarHBondContact OD1-CB 3.49Å; D301-I303 PolarHBondContact OD1-N 2.83Å; D301-D304 HydrophobicContact CB-CB 4.2Å; D301-D304 PolarHBondContact O-N 3.33Å; D301-D304 PolarHBondContact OD1-N 2.94Å; D301-D304 VanDerWaalsContact OD1-N 3.13Å; D301-D305 WeakPolarHBondContact O-CB 3.38Å; D301-D305 PolarHBondContact O-N 3.4Å
302	L	78.7	Confident	74.1	Confident	13 Å²	13	76.2 Å²	76.2	7%	0.068	37%	0.37	C	S	.	.	H	α-helix	trans	-47.6	-44.2	180	174.2	66.3	0	0	0	113.4	K165 L166 I219 D300 I306	K165-L302 HydrophobicContact CB-CD1 3.24Å; K165-L302 HydrophobicContact CD-CD1 4.48Å; K165-L302 HydrophobicContact CG-CD1 3.85Å; L166-L302 HydrophobicContact CD2-CD1 4.22Å; L166-L302 HydrophobicContact CD2-CD2 4.18Å; I219-L302 HydrophobicContact CG2-CD2 4.17Å; D300-L302 PolarHBondContact O-N 2.95Å; L302-I306 HydrophobicContact CD1-CD1 3.9Å; L302-I306 HydrophobicContact CG-CD1 4.21Å; L302-I306 WeakPolarHBondContact O-CB 3.41Å; L302-I306 WeakPolarHBondContact O-CD1 3.37Å; L302-I306 WeakPolarHBondContact O-CG1 3.29Å; L302-I306 PolarHBondContact O-N 3.04Å
303	I	81.7	Confident	74.3	Confident	1 Å²	1	71.8 Å²	71.8	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-86.9	-40.5	-169.6	-63.6	-53.5	0	0	0	110.8	L291 D301 I306 L307 L317 I321	L291-I303 HydrophobicContact CD2-CG2 3.91Å; D301-I303 PolarHBondContact O-N 2.9Å; D301-I303 VanDerWaalsContact O-N 3.14Å; D301-I303 WeakPolarHBondContact OD1-CB 3.49Å; D301-I303 PolarHBondContact OD1-N 2.83Å; I303-I306 PolarHBondContact O-N 2.92Å; I303-L307 WeakPolarHBondContact O-CB 3.49Å; I303-L307 PolarHBondContact O-N 3.38Å; I303-L317 HydrophobicContact CG2-CD1 4.18Å; I303-L317 HydrophobicContact CG2-CD2 3.73Å; I303-L317 HydrophobicContact CG2-CG 4.36Å; I303-I321 HydrophobicContact CD1-CD1 3.51Å; I303-I321 HydrophobicContact CD1-CG1 4.02Å; I303-I321 HydrophobicContact CG1-CD1 4.12Å; I303-I321 HydrophobicContact CG2-CD1 3.97Å
304	D	77.7	Confident	74.6	Confident	15 Å²	15	71.8 Å²	71.8	8%	0.08	36%	0.358	C	S	.	.	H	α-helix	trans	-64	-42.1	174.5	-76.3	-26.5	0	0	0	111.9	L291 N294 D301 I306 L307 Q308	L291-D304 WeakPolarHBondContact CD2-OD1 3.4Å; N294-D304 WeakPolarHBondContact CB-OD2 3.41Å; D301-D304 HydrophobicContact CB-CB 4.2Å; D301-D304 PolarHBondContact O-N 3.33Å; D301-D304 PolarHBondContact OD1-N 2.94Å; D301-D304 VanDerWaalsContact OD1-N 3.13Å; D304-I306 VanDerWaalsContact C-N 3.33Å; D304-I306 PolarHBondContact O-N 3.4Å; D304-L307 PolarHBondContact O-N 3.45Å; D304-Q308 WeakPolarHBondContact O-CB 3.49Å; D304-Q308 WeakPolarHBondContact O-CG 3.07Å; D304-Q308 PolarHBondContact O-N 2.9Å
305	D	77.9	Confident	75.4	Confident	18 Å²	18	75 Å²	75	10%	0.096	37%	0.371	C	S	.	.	H	α-helix	trans	-62	-42	176	-93.1	-21.1	0	0	0	112	K165 D301 L307 Q309	K165-D305 VanDerWaalsContact CE-OD2 3.27Å; K165-D305 WeakPolarHBondContact CE-OD2 3.33Å; K165-D305 IonicContact NZ-OD2 2.67Å; K165-D305 PolarHBondContact NZ-OD2 3.09Å; D301-D305 WeakPolarHBondContact O-CB 3.38Å; D301-D305 PolarHBondContact O-N 3.4Å; D305-L307 VanDerWaalsContact C-N 3.32Å; D305-L307 PolarHBondContact O-N 2.97Å; D305-Q309 WeakPolarHBondContact O-CB 3.4Å; D305-Q309 VanDerWaalsContact O-CG 3.32Å; D305-Q309 WeakPolarHBondContact O-CG 3.46Å; D305-Q309 PolarHBondContact O-N 3.35Å; D305-Q309 PolarHBondContact OD1-NE2 3.35Å
306	I	82.9	Confident	76.6	Confident	2 Å²	2	73.4 Å²	73.4	1%	0.01	35%	0.353	C	S	.	.	H	α-helix	trans	-62.4	-42.5	176.2	-74.5	168.9	0	0	0	110.2	A161 F162 K165 L302 I303 D304 S310 L312 L317	A161-I306 HydrophobicContact CB-CG2 4.47Å; F162-I306 HydrophobicContact CD1-CD1 3.69Å; F162-I306 HydrophobicContact CD2-CG2 4.28Å; F162-I306 HydrophobicContact CE1-CD1 3.9Å; F162-I306 HydrophobicContact CE1-CG2 4.42Å; F162-I306 HydrophobicContact CE2-CG2 3.95Å; F162-I306 HydrophobicContact CG-CD1 4.19Å; F162-I306 HydrophobicContact CZ-CG2 4.03Å; K165-I306 HydrophobicContact CB-CD1 4.36Å; K165-I306 HydrophobicContact CG-CD1 4.29Å; K165-I306 HydrophobicContact CG-CG1 4.01Å; L302-I306 HydrophobicContact CD1-CD1 3.9Å; L302-I306 HydrophobicContact CG-CD1 4.21Å; L302-I306 WeakPolarHBondContact O-CB 3.41Å; L302-I306 WeakPolarHBondContact O-CD1 3.37Å; L302-I306 WeakPolarHBondContact O-CG1 3.29Å; L302-I306 PolarHBondContact O-N 3.04Å; I303-I306 PolarHBondContact O-N 2.92Å; D304-I306 VanDerWaalsContact C-N 3.33Å; D304-I306 PolarHBondContact O-N 3.4Å; I306-S310 WeakPolarHBondContact O-CB 3.43Å; I306-S310 PolarHBondContact O-N 3.42Å; I306-S310 PolarHBondContact O-OG 3.33Å; I306-L312 HydrophobicContact CG2-CD1 3.64Å; I306-L317 HydrophobicContact CG2-CD1 4.13Å
307	L	80.4	Confident	78.2	Confident	37 Å²	37	65.7 Å²	65.7	19%	0.194	31%	0.312	C	S	.	.	H	α-helix	trans	-66.5	-49.6	-179.8	-174.3	65.6	0	0	0	111.8	L291 I303 D304 D305 L312 L317	L291-L307 HydrophobicContact CD1-CD2 4.2Å; L291-L307 HydrophobicContact CD2-CD2 3.8Å; I303-L307 WeakPolarHBondContact O-CB 3.49Å; I303-L307 PolarHBondContact O-N 3.38Å; D304-L307 PolarHBondContact O-N 3.45Å; D305-L307 VanDerWaalsContact C-N 3.32Å; D305-L307 PolarHBondContact O-N 2.97Å; L307-L312 VanDerWaalsContact CD1-O 3.29Å; L307-L312 WeakPolarHBondContact CD1-O 3.43Å; L307-L317 HydrophobicContact CB-CD2 4.5Å; L307-L317 HydrophobicContact CD1-CD2 4.18Å
308	Q	73.1	Confident	79.8	Confident	143 Å²	143	56.6 Å²	56.6	67%	0.668	28%	0.278	S	S	*	.	H	α-helix	trans	-75.3	-47.9	-174.1	-66.5	-177.3	15.4	0	0	112.8	D304	D304-Q308 WeakPolarHBondContact O-CB 3.49Å; D304-Q308 WeakPolarHBondContact O-CG 3.07Å; D304-Q308 PolarHBondContact O-N 2.9Å
309	Q	67.2	Low	81.2	Confident	134 Å²	134	54 Å²	54	63%	0.626	26%	0.264	S	S	*	.	H	α-helix	trans	-77.1	-25.7	-172.9	-58.8	-178.7	10.4	0	0	112.5	D305	D305-Q309 WeakPolarHBondContact O-CB 3.4Å; D305-Q309 VanDerWaalsContact O-CG 3.32Å; D305-Q309 WeakPolarHBondContact O-CG 3.46Å; D305-Q309 PolarHBondContact O-N 3.35Å; D305-Q309 PolarHBondContact OD1-NE2 3.35Å
310	S	66.5	Low	82.8	Confident	32 Å²	32	48.9 Å²	48.9	22%	0.224	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	5.4	-168.8	-48.4	0	0	0	0	115.1	A161 I306 L312	A161-S310 WeakPolarHBondContact CA-OG 3.37Å; A161-S310 WeakPolarHBondContact CB-OG 3.37Å; I306-S310 WeakPolarHBondContact O-CB 3.43Å; I306-S310 PolarHBondContact O-N 3.42Å; I306-S310 PolarHBondContact O-OG 3.33Å; S310-L312 PolarHBondContact O-N 3.07Å
311	R	72.9	Confident	84.2	Confident	222 Å²	222	44.3 Å²	44.3	84%	0.838	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	41.7	-179.4	-57.6	-178.1	179.9	-176	-0.8	112.6
312	L	87.3	Confident	85	Confident	11 Å²	11	44.3 Å²	44.3	6%	0.058	21%	0.206	C	C	.	.			trans	-83.4	142.4	174	-66.6	179.7	0	0	0	109.6	V158 A161 F162 I306 L307 S310 E316	V158-L312 HydrophobicContact CB-CD2 4.46Å; V158-L312 HydrophobicContact CG2-CD2 3.81Å; A161-L312 HydrophobicContact CB-CD1 4.01Å; F162-L312 HydrophobicContact CD2-CD1 4.4Å; F162-L312 HydrophobicContact CE2-CD1 3.85Å; I306-L312 HydrophobicContact CG2-CD1 3.64Å; L307-L312 VanDerWaalsContact CD1-O 3.29Å; L307-L312 WeakPolarHBondContact CD1-O 3.43Å; S310-L312 PolarHBondContact O-N 3.07Å; L312-E316 HydrophobicContact CD2-CB 4.47Å
313	S	91.1	Very high	85.8	Confident	54 Å²	54	43.8 Å²	43.8	38%	0.378	20%	0.203	S	C	.	.			trans	-74	156	167.7	66.2	0	0	0	0	110.5	K315 E316 L317	S313-K315 PolarHBondContact O-N 2.84Å; S313-E316 WeakPolarHBondContact CB-OE2 3.45Å; S313-E316 PolarHBondContact N-OE2 2.65Å; S313-E316 PolarHBondContact O-N 2.89Å; S313-E316 VanDerWaalsContact O-N 3.14Å; S313-E316 VanDerWaalsContact OG-CD 3.32Å; S313-E316 VanDerWaalsContact OG-CG 3.26Å; S313-E316 WeakPolarHBondContact OG-CG 3.31Å; S313-E316 PolarHBondContact OG-N 2.78Å; S313-E316 PolarHBondContact OG-OE2 3.07Å; S313-L317 PolarHBondContact O-N 3.35Å
314	K	91.4	Very high	86.4	Confident	108 Å²	108	44.9 Å²	44.9	47%	0.47	21%	0.209	S	C	.	.	H	α-helix	trans	-55.2	-38.5	173.3	-74.8	-166.9	171.4	-160.8	0	112.4	D288 E316 L317 Y318	D288-K314 IonicContact OD1-NZ 2.66Å; K314-E316 PolarHBondContact O-N 3.21Å; K314-L317 WeakPolarHBondContact O-CB 3.17Å; K314-L317 PolarHBondContact O-N 3.44Å; K314-Y318 HydrophobicContact CB-CE2 4.06Å; K314-Y318 VanDerWaalsContact O-CD2 3.24Å; K314-Y318 WeakPolarHBondContact O-CD2 3.11Å; K314-Y318 PolarHBondContact O-N 2.84Å
315	K	93.4	Very high	87.2	Confident	87 Å²	87	44.2 Å²	44.2	38%	0.378	21%	0.205	S	C	.	.	H	α-helix	trans	-61.4	-44.6	176.9	-71.1	-168.7	175.4	-167.4	0	112.4	N142 A144 S313 L317 Y318 A319	N142-K315 PolarHBondContact ND2-NZ 2.98Å; N142-K315 PolarHBondContact O-NZ 2.9Å; A144-K315 HydrophobicContact CB-CB 4Å; A144-K315 WeakPolarHBondContact CB-O 3.49Å; S313-K315 PolarHBondContact O-N 2.84Å; K315-L317 VanDerWaalsContact C-N 3.28Å; K315-L317 PolarHBondContact O-N 3.02Å; K315-Y318 PolarHBondContact O-N 3.13Å; K315-A319 PolarHBondContact O-N 3.32Å
316	E	94.1	Very high	87.8	Confident	30 Å²	30	43.9 Å²	43.9	14%	0.14	20%	0.203	C	C	.	.	H	α-helix	trans	-64.2	-35.8	176.4	-71.1	164.2	137.4	0	0	111.8	A144 R157 L312 S313 K314 S320	A144-E316 HydrophobicContact CB-CB 4.44Å; A144-E316 HydrophobicContact CB-CG 3.98Å; R157-E316 IonicContact CZ-OE1 3.73Å; R157-E316 VanDerWaalsContact CZ-OE1 3.25Å; R157-E316 IonicContact NH1-OE1 2.79Å; R157-E316 PolarHBondContact NH1-OE1 3.34Å; R157-E316 VanDerWaalsContact NH1-OE1 3.08Å; R157-E316 IonicContact NH1-OE2 3.35Å; R157-E316 PolarHBondContact NH1-OE2 3.32Å; R157-E316 IonicContact NH2-OE1 2.64Å; R157-E316 PolarHBondContact NH2-OE1 2.89Å; L312-E316 HydrophobicContact CD2-CB 4.47Å; S313-E316 WeakPolarHBondContact CB-OE2 3.45Å; S313-E316 PolarHBondContact N-OE2 2.65Å; S313-E316 PolarHBondContact O-N 2.89Å; S313-E316 VanDerWaalsContact O-N 3.14Å; S313-E316 VanDerWaalsContact OG-CD 3.32Å; S313-E316 VanDerWaalsContact OG-CG 3.26Å; S313-E316 WeakPolarHBondContact OG-CG 3.31Å; S313-E316 PolarHBondContact OG-N 2.78Å; S313-E316 PolarHBondContact OG-OE2 3.07Å; K314-E316 PolarHBondContact O-N 3.21Å; E316-S320 VanDerWaalsContact O-CB 3.28Å; E316-S320 WeakPolarHBondContact O-CB 3.46Å; E316-S320 PolarHBondContact O-N 3.49Å; E316-S320 PolarHBondContact O-OG 2.75Å
317	L	93.1	Very high	88.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.6	-49.4	174.6	-171.7	67.1	0	0	0	111.3	F162 I287 L291 I303 I306 L307 S313 K314 K315 A319 S320 I321	F162-L317 HydrophobicContact CZ-CD1 4.12Å; I287-L317 HydrophobicContact CG2-CD2 3.9Å; I287-L317 HydrophobicContact CG2-CG 4.38Å; L291-L317 HydrophobicContact CD1-CD2 4.27Å; L291-L317 HydrophobicContact CD2-CD2 4.34Å; I303-L317 HydrophobicContact CG2-CD1 4.18Å; I303-L317 HydrophobicContact CG2-CD2 3.73Å; I303-L317 HydrophobicContact CG2-CG 4.36Å; I306-L317 HydrophobicContact CG2-CD1 4.13Å; L307-L317 HydrophobicContact CB-CD2 4.5Å; L307-L317 HydrophobicContact CD1-CD2 4.18Å; S313-L317 PolarHBondContact O-N 3.35Å; K314-L317 WeakPolarHBondContact O-CB 3.17Å; K314-L317 PolarHBondContact O-N 3.44Å; K315-L317 VanDerWaalsContact C-N 3.28Å; K315-L317 PolarHBondContact O-N 3.02Å; L317-A319 VanDerWaalsContact C-N 3.34Å; L317-A319 PolarHBondContact O-N 3.12Å; L317-S320 PolarHBondContact O-N 2.99Å; L317-I321 HydrophobicContact CD1-CD1 3.68Å; L317-I321 HydrophobicContact CD1-CG1 4.1Å; L317-I321 HydrophobicContact CD2-CD1 4.33Å; L317-I321 HydrophobicContact CG-CD1 3.66Å; L317-I321 HydrophobicContact CG-CG1 4.34Å; L317-I321 WeakPolarHBondContact O-CB 3.11Å; L317-I321 WeakPolarHBondContact O-CG1 3.21Å; L317-I321 PolarHBondContact O-N 3.16Å
318	Y	95.2	Very high	88.7	Confident	23 Å²	23	44.2 Å²	44.2	9%	0.09	22%	0.216	C	C	.	.	H	α-helix	trans	-55	-49.3	176	-58.3	-35.1	0	0	0	111.5	K284 I287 D288 K314 K315 S320 T322	K284-Y318 HydrophobicContact CB-CE1 4.45Å; K284-Y318 HydrophobicContact CD-CD2 4.23Å; K284-Y318 HydrophobicContact CD-CE2 4.42Å; K284-Y318 HydrophobicContact CG-CD1 3.95Å; K284-Y318 HydrophobicContact CG-CD2 3.7Å; K284-Y318 HydrophobicContact CG-CE1 4.19Å; K284-Y318 HydrophobicContact CG-CE2 3.96Å; K284-Y318 HydrophobicContact CG-CG 3.71Å; I287-Y318 HydrophobicContact CB-CD1 4Å; I287-Y318 HydrophobicContact CB-CE1 3.99Å; I287-Y318 HydrophobicContact CD1-CD1 3.73Å; I287-Y318 HydrophobicContact CG1-CD1 4.47Å; I287-Y318 HydrophobicContact CG2-CD1 3.82Å; I287-Y318 HydrophobicContact CG2-CE1 3.71Å; D288-Y318 PolarHBondContact OD1-OH 2.96Å; D288-Y318 PolarHBondContact OD2-OH 3.19Å; K314-Y318 HydrophobicContact CB-CE2 4.06Å; K314-Y318 VanDerWaalsContact O-CD2 3.24Å; K314-Y318 WeakPolarHBondContact O-CD2 3.11Å; K314-Y318 PolarHBondContact O-N 2.84Å; K315-Y318 PolarHBondContact O-N 3.13Å; Y318-S320 PolarHBondContact O-N 2.87Å; Y318-T322 WeakPolarHBondContact O-CB 3.36Å; Y318-T322 PolarHBondContact O-N 2.76Å; Y318-T322 PolarHBondContact O-OG1 2.78Å
319	A	96.2	Very high	89.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-44.2	-179.7	0	0	0	0	0	112.7	A144 F280 K315 L317 E323	A144-A319 HydrophobicContact CB-CB 3.99Å; A144-A319 WeakPolarHBondContact O-CB 3.25Å; F280-A319 HydrophobicContact CE1-CB 4.39Å; F280-A319 HydrophobicContact CZ-CB 4.48Å; K315-A319 PolarHBondContact O-N 3.32Å; L317-A319 VanDerWaalsContact C-N 3.34Å; L317-A319 PolarHBondContact O-N 3.12Å; A319-E323 WeakPolarHBondContact O-CG 3.13Å; A319-E323 PolarHBondContact O-N 2.85Å; A319-E323 VanDerWaalsContact O-N 3.09Å
320	S	95.4	Very high	90.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-72.2	-41.8	-176.3	-58.8	0	0	0	0	112.5	V158 F162 E316 L317 Y318 E323 L324	V158-S320 WeakPolarHBondContact CG1-OG 3.29Å; F162-S320 VanDerWaalsContact CE2-CB 3.44Å; E316-S320 VanDerWaalsContact O-CB 3.28Å; E316-S320 WeakPolarHBondContact O-CB 3.46Å; E316-S320 PolarHBondContact O-N 3.49Å; E316-S320 PolarHBondContact O-OG 2.75Å; L317-S320 PolarHBondContact O-N 2.99Å; Y318-S320 PolarHBondContact O-N 2.87Å; S320-E323 PolarHBondContact O-N 2.83Å; S320-L324 VanDerWaalsContact O-CG 3.29Å; S320-L324 WeakPolarHBondContact O-CG 3.49Å; S320-L324 PolarHBondContact O-N 2.91Å
321	I	94.5	Very high	92.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66	-42.8	176.3	-66.8	175.8	0	0	0	110.7	F162 L220 Y221 I287 I303 L317 E323 L324 Q325	F162-I321 HydrophobicContact CE1-CG1 4.37Å; F162-I321 HydrophobicContact CZ-CG1 4.4Å; L220-I321 HydrophobicContact CB-CG2 4.03Å; L220-I321 HydrophobicContact CD1-CG2 4.17Å; L220-I321 HydrophobicContact CD2-CG2 4.38Å; L220-I321 HydrophobicContact CG-CG2 4.42Å; Y221-I321 HydrophobicContact CD1-CG2 4.36Å; Y221-I321 HydrophobicContact CE1-CG2 3.51Å; I287-I321 HydrophobicContact CD1-CB 3.77Å; I287-I321 HydrophobicContact CD1-CD1 3.77Å; I287-I321 HydrophobicContact CD1-CG1 4.34Å; I287-I321 HydrophobicContact CD1-CG2 3.81Å; I287-I321 HydrophobicContact CG1-CB 4.47Å; I287-I321 HydrophobicContact CG1-CD1 3.8Å; I287-I321 HydrophobicContact CG1-CG2 4.13Å; I287-I321 HydrophobicContact CG2-CD1 4.25Å; I303-I321 HydrophobicContact CD1-CD1 3.51Å; I303-I321 HydrophobicContact CD1-CG1 4.02Å; I303-I321 HydrophobicContact CG1-CD1 4.12Å; I303-I321 HydrophobicContact CG2-CD1 3.97Å; L317-I321 HydrophobicContact CD1-CD1 3.68Å; L317-I321 HydrophobicContact CD1-CG1 4.1Å; L317-I321 HydrophobicContact CD2-CD1 4.33Å; L317-I321 HydrophobicContact CG-CD1 3.66Å; L317-I321 HydrophobicContact CG-CG1 4.34Å; L317-I321 WeakPolarHBondContact O-CB 3.11Å; L317-I321 WeakPolarHBondContact O-CG1 3.21Å; L317-I321 PolarHBondContact O-N 3.16Å; I321-E323 VanDerWaalsContact C-N 3.31Å; I321-E323 PolarHBondContact O-N 2.82Å; I321-L324 WeakPolarHBondContact O-CB 3.45Å; I321-L324 PolarHBondContact O-N 3.28Å; I321-Q325 PolarHBondContact O-N 3.24Å
322	T	95.1	Very high	93.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.1	-45.6	175.8	-61.8	0	0	0	0	111.3	W276 I279 F280 A283 Y318 Q325 I326	W276-T322 HydrophobicContact CZ3-CG2 4.1Å; I279-T322 HydrophobicContact CG2-CG2 3.33Å; F280-T322 HydrophobicContact CE2-CG2 4.36Å; F280-T322 HydrophobicContact CZ-CG2 4.42Å; A283-T322 VanDerWaalsContact CB-OG1 3.24Å; A283-T322 WeakPolarHBondContact CB-OG1 3.27Å; Y318-T322 WeakPolarHBondContact O-CB 3.36Å; Y318-T322 PolarHBondContact O-N 2.76Å; Y318-T322 PolarHBondContact O-OG1 2.78Å; T322-Q325 PolarHBondContact O-N 2.99Å; T322-I326 HydrophobicContact CG2-CD1 3.92Å; T322-I326 WeakPolarHBondContact O-CG1 3.47Å; T322-I326 PolarHBondContact O-N 3.31Å
323	E	94.9	Very high	93.7	Very high	3 Å²	3	24.7 Å²	24.7	1%	0.014	14%	0.135	C	C	.	.	H	α-helix	trans	-68.8	-33.8	178.1	-75.8	175.9	-154.1	0	0	113.3	R138 G146 L147 L148 A319 S320 I321 G327	R138-E323 IonicContact CZ-OE1 3.44Å; R138-E323 IonicContact NH1-OE1 2.79Å; R138-E323 PolarHBondContact NH1-OE1 3.22Å; R138-E323 IonicContact NH2-OE1 3.98Å; R138-E323 PolarHBondContact NH2-OE1 2.97Å; G146-E323 VanDerWaalsContact CA-OE1 3.25Å; G146-E323 WeakPolarHBondContact CA-OE1 3.3Å; G146-E323 WeakPolarHBondContact CA-OE2 3.48Å; G146-E323 PolarHBondContact N-OE1 3.41Å; L147-E323 PolarHBondContact N-OE2 2.84Å; L147-E323 VanDerWaalsContact N-OE2 3.12Å; L148-E323 VanDerWaalsContact CB-OE2 3.25Å; L148-E323 WeakPolarHBondContact CB-OE2 3.33Å; L148-E323 HydrophobicContact CD1-CB 3.96Å; L148-E323 HydrophobicContact CD1-CG 4.25Å; L148-E323 HydrophobicContact CG-CB 4.19Å; L148-E323 PolarHBondContact N-OE2 2.89Å; A319-E323 WeakPolarHBondContact O-CG 3.13Å; A319-E323 PolarHBondContact O-N 2.85Å; A319-E323 VanDerWaalsContact O-N 3.09Å; S320-E323 PolarHBondContact O-N 2.83Å; I321-E323 VanDerWaalsContact C-N 3.31Å; I321-E323 PolarHBondContact O-N 2.82Å; E323-G327 PolarHBondContact O-N 2.86Å
324	L	94.9	Very high	94	Very high	23 Å²	23	22.1 Å²	22.1	12%	0.12	12%	0.117	C	C	.	.	H	α-helix	trans	-63.6	-42.5	172.4	-75.3	170.6	0	0	0	111.9	F162 L166 L220 S320 I321 G328 I464	F162-L324 HydrophobicContact CD1-CD1 3.57Å; F162-L324 HydrophobicContact CE1-CD1 3.48Å; F162-L324 VanDerWaalsContact CE1-CD1 3.48Å; L166-L324 HydrophobicContact CD1-CD1 3.79Å; L166-L324 HydrophobicContact CD1-CD2 3.92Å; L220-L324 HydrophobicContact CD1-CB 4.05Å; L220-L324 HydrophobicContact CD2-CB 4.26Å; L220-L324 HydrophobicContact CD2-CD1 4.2Å; S320-L324 VanDerWaalsContact O-CG 3.29Å; S320-L324 WeakPolarHBondContact O-CG 3.49Å; S320-L324 PolarHBondContact O-N 2.91Å; I321-L324 WeakPolarHBondContact O-CB 3.45Å; I321-L324 PolarHBondContact O-N 3.28Å; L324-G328 PolarHBondContact O-N 2.88Å; L324-I464 HydrophobicContact CD2-CG2 3.38Å
325	Q	93.1	Very high	94.3	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-62.5	-53.6	176.5	-171.7	-173.5	2.6	0	0	110.3	F213 I216 C217 L220 Y221 F239 I321 T322 G327 G328 V329	F213-Q325 VanDerWaalsContact CE2-NE2 3.31Å; I216-Q325 HydrophobicContact CG2-CG 4.24Å; C217-Q325 PolarHBondContact SG-NE2 3.47Å; L220-Q325 HydrophobicContact CD1-CB 3.7Å; L220-Q325 HydrophobicContact CD1-CG 4.44Å; Y221-Q325 PolarHBondContact OH-OE1 3.28Å; F239-Q325 VanDerWaalsContact CE1-CD 3.49Å; F239-Q325 HydrophobicContact CE1-CG 4.37Å; F239-Q325 HydrophobicContact CZ-CG 4.36Å; F239-Q325 VanDerWaalsContact CZ-NE2 3.28Å; I321-Q325 PolarHBondContact O-N 3.24Å; T322-Q325 PolarHBondContact O-N 2.99Å; Q325-G327 VanDerWaalsContact C-N 3.28Å; Q325-G327 PolarHBondContact O-N 3.46Å; Q325-G328 PolarHBondContact O-N 3.17Å; Q325-V329 HydrophobicContact CG-CG2 4.46Å; Q325-V329 WeakPolarHBondContact O-CG2 3.47Å; Q325-V329 PolarHBondContact O-N 2.93Å
326	I	90.8	Very high	94.6	Very high	11 Å²	11	13.6 Å²	13.6	6%	0.056	8%	0.083	C	C	.	.	H	α-helix	trans	-55.7	-44.5	-179.8	-69.3	166.1	0	0	0	111.3	V243 M246 M247 W276 I279 T322 G328	V243-I326 HydrophobicContact CG2-CG1 4.35Å; M246-I326 HydrophobicContact CE-CD1 3.99Å; M246-I326 HydrophobicContact CE-CG2 4.01Å; M247-I326 HydrophobicContact CE-CG2 3.32Å; W276-I326 HydrophobicContact CH2-CD1 3.47Å; W276-I326 VanDerWaalsContact CH2-CD1 3.47Å; W276-I326 HydrophobicContact CZ3-CD1 3.41Å; W276-I326 VanDerWaalsContact CZ3-CD1 3.41Å; I279-I326 HydrophobicContact CG2-CD1 4.23Å; T322-I326 HydrophobicContact CG2-CD1 3.92Å; T322-I326 WeakPolarHBondContact O-CG1 3.47Å; T322-I326 PolarHBondContact O-N 3.31Å; I326-G328 VanDerWaalsContact C-N 3.34Å
327	G	90.8	Very high	94.8	Very high	33 Å²	33	12.3 Å²	12.3	34%	0.34	8%	0.076	S	C	.	.	H	α-helix	trans	-71.2	-27	178.8	0	0	0	0	0	114	E323 Q325 T331	E323-G327 PolarHBondContact O-N 2.86Å; Q325-G327 VanDerWaalsContact C-N 3.28Å; Q325-G327 PolarHBondContact O-N 3.46Å; G327-T331 WeakPolarHBondContact O-CG2 3.39Å; G327-T331 PolarHBondContact O-OG1 3.27Å
328	G	91.9	Very high	95	Very high	13 Å²	13	12.5 Å²	12.5	13%	0.134	8%	0.077	C	C	.	.	H	α-helix	trans	-88	-23.1	-169.9	0	0	0	0	0	115.8	S212 L324 Q325 I326 T332	S212-G328 PolarHBondContact OG-O 3.33Å; L324-G328 PolarHBondContact O-N 2.88Å; Q325-G328 PolarHBondContact O-N 3.17Å; I326-G328 VanDerWaalsContact C-N 3.34Å; G328-T332 WeakPolarHBondContact O-CB 3.36Å; G328-T332 PolarHBondContact O-OG1 3.02Å
329	V	91.4	Very high	95.2	Very high	20 Å²	20	11.5 Å²	11.5	12%	0.121	7%	0.073	C	C	.	.	H	α-helix	trans	-76.3	-72.2	-176	-179.4	0	0	0	0	111.4	S212 F213 I216 Q325 T331 T332 A333	S212-V329 WeakPolarHBondContact CB-O 3.31Å; S212-V329 WeakPolarHBondContact OG-CA 3.49Å; S212-V329 PolarHBondContact OG-O 3.41Å; F213-V329 HydrophobicContact CB-CG1 3.99Å; F213-V329 HydrophobicContact CB-CG2 4.25Å; F213-V329 HydrophobicContact CD2-CG1 4.32Å; F213-V329 HydrophobicContact CD2-CG2 3.83Å; F213-V329 HydrophobicContact CG-CG2 4.44Å; I216-V329 HydrophobicContact CG2-CG2 3.62Å; Q325-V329 HydrophobicContact CG-CG2 4.46Å; Q325-V329 WeakPolarHBondContact O-CG2 3.47Å; Q325-V329 PolarHBondContact O-N 2.93Å; V329-T331 VanDerWaalsContact C-N 3.32Å; V329-T331 PolarHBondContact O-N 3.44Å; V329-T332 PolarHBondContact O-N 3.36Å; V329-A333 PolarHBondContact O-N 2.72Å; V329-A333 VanDerWaalsContact O-N 3.14Å
330	E	91.1	Very high	95.3	Very high	64 Å²	64	11.5 Å²	11.5	30%	0.299	7%	0.074	S	C	.	.	H	α-helix	trans	-68.3	-34.9	-167.2	-164.4	178.4	-176.3	0	0	111.8	Y205 T332 N334 L501	Y205-E330 WeakPolarHBondContact OH-CG 3.25Å; Y205-E330 PolarHBondContact OH-OE1 3.21Å; E330-T332 PolarHBondContact O-N 3.29Å; E330-N334 WeakPolarHBondContact O-CB 3.29Å; E330-N334 PolarHBondContact O-N 2.99Å; E330-L501 HydrophobicContact CB-CD1 4.19Å; E330-L501 HydrophobicContact CG-CD1 3.81Å
331	T	95.4	Very high	95.4	Very high	43 Å²	43	12.8 Å²	12.8	26%	0.264	8%	0.079	S	C	.	.	H	α-helix	trans	-67.9	-37.3	-178.7	65.2	0	0	0	0	113.1	G327 V329 S335 L501	G327-T331 WeakPolarHBondContact O-CG2 3.39Å; G327-T331 PolarHBondContact O-OG1 3.27Å; V329-T331 VanDerWaalsContact C-N 3.32Å; V329-T331 PolarHBondContact O-N 3.44Å; T331-S335 WeakPolarHBondContact O-CB 3.45Å; T331-S335 PolarHBondContact O-N 3.18Å; T331-S335 VanDerWaalsContact O-N 3.1Å; T331-S335 PolarHBondContact O-OG 3.41Å; T331-L501 HydrophobicContact CG2-CD1 4.02Å; T331-L501 HydrophobicContact CG2-CD2 3.98Å
332	T	97.3	Very high	95.6	Very high	5 Å²	5	13.3 Å²	13.3	3%	0.031	8%	0.082	C	C	.	.	H	α-helix	trans	-75.8	-44.4	179	-50.3	0	0	0	0	109.9	W211 S212 G328 V329 E330 N334 S335 M336 Q472 L473	W211-T332 HydrophobicContact CH2-CG2 4.12Å; W211-T332 HydrophobicContact CZ3-CG2 4.3Å; S212-T332 WeakPolarHBondContact OG-CB 3.35Å; G328-T332 WeakPolarHBondContact O-CB 3.36Å; G328-T332 PolarHBondContact O-OG1 3.02Å; V329-T332 PolarHBondContact O-N 3.36Å; E330-T332 PolarHBondContact O-N 3.29Å; T332-N334 PolarHBondContact O-N 3.27Å; T332-S335 PolarHBondContact O-N 2.98Å; T332-M336 PolarHBondContact O-N 2.67Å; T332-Q472 HydrophobicContact CG2-CB 4.31Å; T332-L473 HydrophobicContact CG2-CD2 3.89Å; T332-L473 HydrophobicContact CG2-CG 4.05Å; T332-L473 WeakPolarHBondContact O-CD2 3.37Å
333	A	96.8	Very high	95.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-57	-46.3	173.9	0	0	0	0	0	112.2	Y205 L208 N209 V329 S335 M336 L337	Y205-A333 HydrophobicContact CE2-CB 4.45Å; L208-A333 HydrophobicContact CB-CB 3.99Å; L208-A333 WeakPolarHBondContact O-CB 3.5Å; N209-A333 HydrophobicContact CB-CB 4.42Å; V329-A333 PolarHBondContact O-N 2.72Å; V329-A333 VanDerWaalsContact O-N 3.14Å; A333-S335 PolarHBondContact O-N 3.39Å; A333-M336 WeakPolarHBondContact O-CB 3.48Å; A333-M336 PolarHBondContact O-N 2.73Å; A333-L337 WeakPolarHBondContact O-CB 3.38Å; A333-L337 PolarHBondContact O-N 2.76Å
334	N	97.6	Very high	95.9	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.8	-37.5	177.8	-171.8	68.6	0	0	0	112.5	Y205 E330 T332 M336 L337 W338 S391 L501 L502	Y205-N334 HydrophobicContact CE2-CB 3.88Å; E330-N334 WeakPolarHBondContact O-CB 3.29Å; E330-N334 PolarHBondContact O-N 2.99Å; T332-N334 PolarHBondContact O-N 3.27Å; N334-M336 VanDerWaalsContact C-N 3.31Å; N334-M336 PolarHBondContact O-N 2.94Å; N334-L337 WeakPolarHBondContact O-CB 3.17Å; N334-L337 PolarHBondContact O-N 3.36Å; N334-W338 PolarHBondContact ND2-NE1 3.42Å; N334-W338 PolarHBondContact O-N 2.81Å; N334-W338 VanDerWaalsContact O-N 3.08Å; N334-S391 WeakPolarHBondContact ND2-CA 3.32Å; N334-S391 VanDerWaalsContact ND2-CB 3.34Å; N334-S391 WeakPolarHBondContact ND2-CB 3.39Å; N334-S391 PolarHBondContact ND2-OG 3.28Å; N334-L501 HydrophobicContact CB-CD1 4.2Å; N334-L502 PolarHBondContact ND2-O 3.15Å; N334-L502 PolarHBondContact OD1-O 2.87Å
335	S	98.4	Very high	96	Very high	17 Å²	17	15.2 Å²	15.2	12%	0.119	9%	0.088	C	C	.	.	H	α-helix	trans	-66	-37.3	175.7	-55.1	0	0	0	0	111.6	T331 T332 A333 V339 S391	T331-S335 WeakPolarHBondContact O-CB 3.45Å; T331-S335 PolarHBondContact O-N 3.18Å; T331-S335 VanDerWaalsContact O-N 3.1Å; T331-S335 PolarHBondContact O-OG 3.41Å; T332-S335 PolarHBondContact O-N 2.98Å; A333-S335 PolarHBondContact O-N 3.39Å; S335-V339 PolarHBondContact O-N 3.09Å; S335-S391 PolarHBondContact N-OG 3.11Å; S335-S391 PolarHBondContact OG-OG 3.17Å
336	M	98.4	Very high	96.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.7	-45.5	173	-178.2	56.7	75.2	0	0	111.4	L208 W211 T332 A333 N334 W338 V339 I340 L473 A476 M477 L480	L208-M336 HydrophobicContact CD1-CB 4.32Å; L208-M336 HydrophobicContact CD1-CG 4.14Å; L208-M336 HydrophobicContact CD2-CB 4.4Å; L208-M336 HydrophobicContact CD2-CG 3.65Å; L208-M336 HydrophobicContact CG-CG 4.5Å; W211-M336 HydrophobicContact CH2-CE 3.59Å; W211-M336 HydrophobicContact CZ2-CE 4.32Å; W211-M336 HydrophobicContact CZ3-CB 3.84Å; W211-M336 HydrophobicContact CZ3-CE 3.96Å; W211-M336 HydrophobicContact CZ3-CG 3.95Å; T332-M336 PolarHBondContact O-N 2.67Å; A333-M336 WeakPolarHBondContact O-CB 3.48Å; A333-M336 PolarHBondContact O-N 2.73Å; N334-M336 VanDerWaalsContact C-N 3.31Å; N334-M336 PolarHBondContact O-N 2.94Å; M336-W338 VanDerWaalsContact C-N 3.32Å; M336-W338 PolarHBondContact O-N 2.95Å; M336-V339 WeakPolarHBondContact O-CG1 3.47Å; M336-V339 PolarHBondContact O-N 3.36Å; M336-V339 HydrophobicContact SD-CG1 3.96Å; M336-I340 HydrophobicContact CG-CD1 3.77Å; M336-I340 HydrophobicContact CG-CG1 4.47Å; M336-I340 VanDerWaalsContact O-CG1 3.29Å; M336-I340 WeakPolarHBondContact O-CG1 3.33Å; M336-I340 PolarHBondContact O-N 3.11Å; M336-I340 HydrophobicContact SD-CD1 4.02Å; M336-I340 HydrophobicContact SD-CG1 4.18Å; M336-L473 HydrophobicContact CB-CD2 3.83Å; M336-L473 HydrophobicContact CE-CD2 3.92Å; M336-A476 HydrophobicContact CE-CB 3.31Å; M336-M477 HydrophobicContact CE-CG 3.94Å; M336-M477 HydrophobicContact CE-SD 4.19Å; M336-M477 HydrophobicContact SD-CG 3.78Å; M336-M477 HydrophobicContact SD-SD 3.28Å; M336-L480 HydrophobicContact SD-CD1 4.21Å
337	L	98	Very high	96.6	Very high	2 Å²	2	21 Å²	21	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-54.5	-48	177.1	-171.2	73.3	0	0	0	111.4	L204 Y205 L208 A333 N334 I340 F341 P504 L508	L204-L337 HydrophobicContact CB-CD1 4.45Å; L204-L337 HydrophobicContact CD2-CD1 3.98Å; L204-L337 HydrophobicContact CG-CD1 4.02Å; Y205-L337 HydrophobicContact CD2-CD2 3.71Å; Y205-L337 HydrophobicContact CE2-CD2 4.34Å; Y205-L337 HydrophobicContact CG-CD2 4.08Å; L208-L337 HydrophobicContact CD1-CB 3.71Å; L208-L337 HydrophobicContact CD1-CD1 3.7Å; L208-L337 HydrophobicContact CD1-CG 4.34Å; A333-L337 WeakPolarHBondContact O-CB 3.38Å; A333-L337 PolarHBondContact O-N 2.76Å; N334-L337 WeakPolarHBondContact O-CB 3.17Å; N334-L337 PolarHBondContact O-N 3.36Å; L337-I340 PolarHBondContact O-N 3.29Å; L337-F341 PolarHBondContact O-N 3.03Å; L337-P504 HydrophobicContact CD2-CG 3.77Å; L337-L508 HydrophobicContact CD1-CD1 3.46Å; L337-L508 VanDerWaalsContact CD1-CD1 3.46Å; L337-L508 HydrophobicContact CD1-CG 4.04Å; L337-L508 HydrophobicContact CD2-CD1 4.43Å; L337-L508 HydrophobicContact CG-CD1 3.54Å; L337-L508 HydrophobicContact CG-CG 4.17Å; L337-L508 WeakPolarHBondContact O-CD1 3.44Å
338	W	98.4	Very high	97	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.015	14%	0.14	C	C	.	.	H	α-helix	trans	-67.5	-37.7	179.5	-74	121.2	0	0	0	113.8	N334 M336 F341 N342 S385 S389 V496 L502 P504	N334-W338 PolarHBondContact ND2-NE1 3.42Å; N334-W338 PolarHBondContact O-N 2.81Å; N334-W338 VanDerWaalsContact O-N 3.08Å; M336-W338 VanDerWaalsContact C-N 3.32Å; M336-W338 PolarHBondContact O-N 2.95Å; W338-F341 HydrophobicContact CE3-CD1 4.16Å; W338-F341 HydrophobicContact CZ3-CD1 4.2Å; W338-F341 PolarHBondContact O-N 3.03Å; W338-N342 WeakPolarHBondContact O-CB 3.47Å; W338-N342 VanDerWaalsContact O-CG 3.31Å; W338-N342 PolarHBondContact O-N 3.06Å; W338-N342 PolarHBondContact O-ND2 3.39Å; W338-S385 PolarHBondContact O-OG 3.04Å; W338-S389 VanDerWaalsContact CD2-CB 3.45Å; W338-V496 HydrophobicContact CH2-CG2 3.77Å; W338-V496 HydrophobicContact CZ2-CG1 4.27Å; W338-V496 HydrophobicContact CZ2-CG2 4.12Å; W338-L502 PolarHBondContact NE1-O 3.21Å; W338-P504 HydrophobicContact CH2-CB 3.87Å; W338-P504 HydrophobicContact CH2-CG 4.47Å; W338-P504 HydrophobicContact CZ2-CB 4.34Å
339	V	98.5	Very high	97.3	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.012	14%	0.137	C	C	.	.	H	α-helix	trans	-70.8	-35.3	177.3	63.5	0	0	0	0	111.6	S335 M336 N342 L343 L382 S385 M477	S335-V339 PolarHBondContact O-N 3.09Å; M336-V339 WeakPolarHBondContact O-CG1 3.47Å; M336-V339 PolarHBondContact O-N 3.36Å; M336-V339 HydrophobicContact SD-CG1 3.96Å; V339-N342 PolarHBondContact O-N 3.37Å; V339-L343 HydrophobicContact CG2-CD1 4.06Å; V339-L343 HydrophobicContact CG2-CG 4.28Å; V339-L343 WeakPolarHBondContact O-CB 3.45Å; V339-L343 WeakPolarHBondContact O-CG 3.17Å; V339-L343 PolarHBondContact O-N 3.43Å; V339-L382 HydrophobicContact CB-CD2 4.14Å; V339-L382 HydrophobicContact CG1-CD2 3.99Å; V339-L382 HydrophobicContact CG2-CD2 3.98Å; V339-S385 VanDerWaalsContact CA-OG 3.23Å; V339-S385 WeakPolarHBondContact CA-OG 3.22Å; V339-S385 PolarHBondContact N-OG 2.92Å; V339-M477 HydrophobicContact CG1-CG 3.84Å; V339-M477 HydrophobicContact CG1-SD 3.52Å; V339-M477 VanDerWaalsContact CG1-SD 3.52Å; V339-M477 HydrophobicContact CG2-CG 4.44Å; V339-M477 HydrophobicContact CG2-SD 4.34Å
340	I	98.5	Very high	97.6	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-58.8	-49.7	171.9	-71.5	166.1	0	0	0	109.9	L204 L208 M336 L337 N342 L343 S344 M477 L480 I486 V510 F512	L204-I340 HydrophobicContact CD2-CG2 4.26Å; L208-I340 HydrophobicContact CD1-CD1 4.09Å; L208-I340 HydrophobicContact CD2-CD1 4.19Å; M336-I340 HydrophobicContact CG-CD1 3.77Å; M336-I340 HydrophobicContact CG-CG1 4.47Å; M336-I340 VanDerWaalsContact O-CG1 3.29Å; M336-I340 WeakPolarHBondContact O-CG1 3.33Å; M336-I340 PolarHBondContact O-N 3.11Å; M336-I340 HydrophobicContact SD-CD1 4.02Å; M336-I340 HydrophobicContact SD-CG1 4.18Å; L337-I340 PolarHBondContact O-N 3.29Å; I340-N342 PolarHBondContact O-N 3.28Å; I340-L343 PolarHBondContact O-N 3Å; I340-S344 WeakPolarHBondContact O-CB 2.86Å; I340-S344 PolarHBondContact O-N 3.4Å; I340-M477 HydrophobicContact CG1-SD 4.17Å; I340-L480 HydrophobicContact CD1-CD1 4.14Å; I340-L480 HydrophobicContact CG1-CD1 4.49Å; I340-I486 HydrophobicContact CG1-CD1 4.34Å; I340-I486 HydrophobicContact CG2-CD1 4.43Å; I340-I486 HydrophobicContact CG2-CG2 3.74Å; I340-V510 HydrophobicContact CG2-CG1 4.48Å; I340-V510 HydrophobicContact CG2-CG2 4.18Å; I340-F512 HydrophobicContact CD1-CZ 4.23Å; I340-F512 HydrophobicContact CG2-CE1 4.46Å; I340-F512 HydrophobicContact CG2-CZ 3.94Å
341	F	98.3	Very high	98	Very high	26 Å²	26	27.2 Å²	27.2	11%	0.114	15%	0.152	C	C	.	.	H	α-helix	trans	-58.6	-48.7	175.8	178.7	-110.6	0	0	0	112.5	L337 W338 L343 S344 R345 V494 L508 P509	L337-F341 PolarHBondContact O-N 3.03Å; W338-F341 HydrophobicContact CE3-CD1 4.16Å; W338-F341 HydrophobicContact CZ3-CD1 4.2Å; W338-F341 PolarHBondContact O-N 3.03Å; F341-L343 VanDerWaalsContact C-N 3.32Å; F341-L343 PolarHBondContact O-N 3.45Å; F341-S344 PolarHBondContact O-N 2.99Å; F341-S344 PolarHBondContact O-OG 2.59Å; F341-R345 HydrophobicContact CD2-CG 4.35Å; F341-R345 HydrophobicContact CE1-CG 4.25Å; F341-R345 HydrophobicContact CE2-CG 3.97Å; F341-R345 HydrophobicContact CZ-CG 3.92Å; F341-R345 WeakPolarHBondContact O-CG 3.47Å; F341-R345 PolarHBondContact O-N 3.39Å; F341-R345 VanDerWaalsContact O-N 3.13Å; F341-V494 HydrophobicContact CE2-CB 4.2Å; F341-V494 HydrophobicContact CE2-CG2 3.64Å; F341-V494 HydrophobicContact CZ-CB 3.92Å; F341-V494 HydrophobicContact CZ-CG2 3.79Å; F341-L508 HydrophobicContact CB-CD1 3.74Å; F341-L508 HydrophobicContact CB-CD2 4.14Å; F341-L508 HydrophobicContact CD2-CD2 3.76Å; F341-L508 HydrophobicContact CE2-CD2 4.41Å; F341-L508 HydrophobicContact CG-CD1 4.49Å; F341-L508 HydrophobicContact CG-CD2 4.04Å; F341-P509 HydrophobicContact CE2-CG 4.12Å
342	N	98.1	Very high	98.1	Very high	12 Å²	12	30.3 Å²	30.3	6%	0.064	16%	0.159	C	C	.	.	H	α-helix	trans	-63.3	-38.5	-177.5	-78.1	-44.5	0	0	0	111.8	W338 V339 I340 N346 S385 F436	W338-N342 WeakPolarHBondContact O-CB 3.47Å; W338-N342 VanDerWaalsContact O-CG 3.31Å; W338-N342 PolarHBondContact O-N 3.06Å; W338-N342 PolarHBondContact O-ND2 3.39Å; V339-N342 PolarHBondContact O-N 3.37Å; I340-N342 PolarHBondContact O-N 3.28Å; N342-N346 WeakPolarHBondContact O-CB 3.47Å; N342-N346 PolarHBondContact O-N 3.32Å; N342-N346 PolarHBondContact O-ND2 3.31Å; N342-S385 PolarHBondContact ND2-OG 2.84Å; N342-F436 HydrophobicContact CB-CD2 3.58Å; N342-F436 HydrophobicContact CB-CE2 3.59Å; N342-F436 HydrophobicContact CB-CG 4.22Å; N342-F436 HydrophobicContact CB-CZ 4.21Å
343	L	98.3	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-73.6	-33.1	176.6	-71.1	175.7	0	0	0	113.3	V339 I340 F341 R345 N346 A349 Q350 L353 F436 M477 V481	V339-L343 HydrophobicContact CG2-CD1 4.06Å; V339-L343 HydrophobicContact CG2-CG 4.28Å; V339-L343 WeakPolarHBondContact O-CB 3.45Å; V339-L343 WeakPolarHBondContact O-CG 3.17Å; V339-L343 PolarHBondContact O-N 3.43Å; I340-L343 PolarHBondContact O-N 3Å; F341-L343 VanDerWaalsContact C-N 3.32Å; F341-L343 PolarHBondContact O-N 3.45Å; L343-R345 PolarHBondContact O-N 2.87Å; L343-N346 CarbonylContact O-C 3.45Å; L343-N346 PolarHBondContact O-N 3.28Å; L343-N346 VanDerWaalsContact O-N 3.15Å; L343-A349 HydrophobicContact CD2-CB 4.48Å; L343-Q350 HydrophobicContact CB-CB 4.46Å; L343-Q350 HydrophobicContact CB-CG 4.38Å; L343-Q350 HydrophobicContact CD2-CB 4.42Å; L343-Q350 PolarHBondContact O-NE2 3.49Å; L343-Q350 VanDerWaalsContact O-NE2 3.11Å; L343-L353 HydrophobicContact CD1-CD2 3.83Å; L343-L353 HydrophobicContact CD2-CD2 4.42Å; L343-F436 HydrophobicContact CD2-CE1 3.99Å; L343-F436 HydrophobicContact CD2-CZ 4.18Å; L343-M477 HydrophobicContact CD1-CE 3.36Å; L343-V481 HydrophobicContact CD1-CG2 4.3Å
344	S	98.1	Very high	98.2	Very high	4 Å²	4	30.8 Å²	30.8	3%	0.028	16%	0.161	C	C	.	.	H	α-helix	trans	-65.2	-32.9	175.6	82.8	0	0	0	0	112	I340 F341 N346 I486 V510	I340-S344 WeakPolarHBondContact O-CB 2.86Å; I340-S344 PolarHBondContact O-N 3.4Å; F341-S344 PolarHBondContact O-N 2.99Å; F341-S344 PolarHBondContact O-OG 2.59Å; S344-N346 VanDerWaalsContact C-N 3.33Å; S344-I486 WeakPolarHBondContact CA-O 2.95Å; S344-V510 WeakPolarHBondContact OG-CG1 3.5Å
345	R	97.6	Very high	98.3	Very high	61 Å²	61	35.4 Å²	35.4	23%	0.23	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-13.5	174.3	-66.8	-65.8	-179.4	-158.2	-2.6	114.3	F341 L343 D490 N491 P509	F341-R345 HydrophobicContact CD2-CG 4.35Å; F341-R345 HydrophobicContact CE1-CG 4.25Å; F341-R345 HydrophobicContact CE2-CG 3.97Å; F341-R345 HydrophobicContact CZ-CG 3.92Å; F341-R345 WeakPolarHBondContact O-CG 3.47Å; F341-R345 PolarHBondContact O-N 3.39Å; F341-R345 VanDerWaalsContact O-N 3.13Å; L343-R345 PolarHBondContact O-N 2.87Å; R345-D490 PolarHBondContact NH1-O 3.39Å; R345-D490 PolarHBondContact NH2-O 2.91Å; R345-D490 IonicContact NH2-OD1 3.78Å; R345-D490 PolarHBondContact NH2-OD1 3.04Å; R345-N491 PolarHBondContact NH1-OD1 3.01Å; R345-P509 VanDerWaalsContact NH2-CG 3.35Å
346	N	98.1	Very high	98.3	Very high	49 Å²	49	36 Å²	36	26%	0.262	18%	0.184	S	C	.	.			trans	-131.6	73.5	-174.1	-66	-86.7	0	0	0	111.4	N342 L343 S344 A348 A349 Q350 F436	N342-N346 WeakPolarHBondContact O-CB 3.47Å; N342-N346 PolarHBondContact O-N 3.32Å; N342-N346 PolarHBondContact O-ND2 3.31Å; L343-N346 CarbonylContact O-C 3.45Å; L343-N346 PolarHBondContact O-N 3.28Å; L343-N346 VanDerWaalsContact O-N 3.15Å; S344-N346 VanDerWaalsContact C-N 3.33Å; N346-A348 VanDerWaalsContact C-N 3.27Å; N346-A348 PolarHBondContact O-N 2.93Å; N346-A349 HydrophobicContact CB-CB 4Å; N346-A349 WeakPolarHBondContact O-CB 3.34Å; N346-A349 PolarHBondContact O-N 3.17Å; N346-Q350 PolarHBondContact O-N 3.4Å; N346-F436 HydrophobicContact CB-CD1 4Å; N346-F436 WeakPolarHBondContact ND2-CB 3.34Å
347	P	97.8	Very high	98.2	Very high	85 Å²	85	36 Å²	36	55%	0.552	18%	0.184	S	C	*	.	H	α-helix	trans	-57.8	-35.3	-176.1	-25.5	34.5	0	0	0	113.9	Q350 K351	P347-Q350 PolarHBondContact O-N 3.01Å; P347-K351 WeakPolarHBondContact O-CB 3.35Å; P347-K351 PolarHBondContact O-N 2.75Å
348	A	98.3	Very high	98.1	Very high	82 Å²	82	42.8 Å²	42.8	68%	0.678	21%	0.21	S	C	*	.	H	α-helix	trans	-63	-43.1	176.6	0	0	0	0	0	112	N346 K351 R352	N346-A348 VanDerWaalsContact C-N 3.27Å; N346-A348 PolarHBondContact O-N 2.93Å; A348-K351 PolarHBondContact O-N 3.32Å; A348-R352 PolarHBondContact O-N 2.83Å; A348-R352 VanDerWaalsContact O-N 3.07Å
349	A	98.4	Very high	98.1	Very high	9 Å²	9	48.1 Å²	48.1	7%	0.074	24%	0.238	C	C	.	.	H	α-helix	trans	-66.7	-40.9	176	0	0	0	0	0	111.1	L343 N346 R352 L353 Y377 F436 P438	L343-A349 HydrophobicContact CD2-CB 4.48Å; N346-A349 HydrophobicContact CB-CB 4Å; N346-A349 WeakPolarHBondContact O-CB 3.34Å; N346-A349 PolarHBondContact O-N 3.17Å; A349-R352 PolarHBondContact O-N 3.12Å; A349-L353 WeakPolarHBondContact O-CB 3.47Å; A349-L353 PolarHBondContact O-N 3.23Å; A349-Y377 WeakPolarHBondContact CA-OH 3.48Å; A349-Y377 WeakPolarHBondContact CB-OH 3.25Å; A349-Y377 WeakPolarHBondContact O-CE1 3.27Å; A349-F436 HydrophobicContact CB-CD1 4.25Å; A349-F436 HydrophobicContact CB-CE1 4Å; A349-P438 HydrophobicContact CB-CG 4.5Å
350	Q	98.7	Very high	98	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.028	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-42.4	176.7	-163.6	-173.6	145.5	0	0	112.4	L343 N346 P347 R352 L353 L354 I486	L343-Q350 HydrophobicContact CB-CB 4.46Å; L343-Q350 HydrophobicContact CB-CG 4.38Å; L343-Q350 HydrophobicContact CD2-CB 4.42Å; L343-Q350 PolarHBondContact O-NE2 3.49Å; L343-Q350 VanDerWaalsContact O-NE2 3.11Å; N346-Q350 PolarHBondContact O-N 3.4Å; P347-Q350 PolarHBondContact O-N 3.01Å; Q350-R352 PolarHBondContact O-N 2.63Å; Q350-L353 WeakPolarHBondContact O-CB 3.27Å; Q350-L353 PolarHBondContact O-N 3.32Å; Q350-L354 PolarHBondContact O-N 3.2Å; Q350-I486 PolarHBondContact NE2-O 3.27Å
351	K	98.4	Very high	97.8	Very high	164 Å²	164	50.1 Å²	50.1	71%	0.713	25%	0.25	S	S	*	.	H	α-helix	trans	-62.2	-42.5	176	-176.1	177.7	-179.8	178.6	0	111.9	P347 A348 L353 L354 Q355	P347-K351 WeakPolarHBondContact O-CB 3.35Å; P347-K351 PolarHBondContact O-N 2.75Å; A348-K351 PolarHBondContact O-N 3.32Å; K351-L353 VanDerWaalsContact C-N 3.34Å; K351-L354 PolarHBondContact O-N 2.91Å; K351-Q355 PolarHBondContact O-N 3.34Å
352	R	98.4	Very high	97.5	Very high	107 Å²	107	51 Å²	51	40%	0.404	26%	0.259	S	S	.	.	H	α-helix	trans	-63.8	-40.5	175.3	-179.4	173.4	173	-177	7.7	111.9	A348 A349 Q350 Q355 E356 Y377 E439	A348-R352 PolarHBondContact O-N 2.83Å; A348-R352 VanDerWaalsContact O-N 3.07Å; A349-R352 PolarHBondContact O-N 3.12Å; Q350-R352 PolarHBondContact O-N 2.63Å; R352-Q355 PolarHBondContact O-N 3.01Å; R352-E356 PolarHBondContact O-N 3.28Å; R352-E356 VanDerWaalsContact O-N 3.08Å; R352-Y377 HydrophobicContact CB-CD1 4.47Å; R352-Y377 HydrophobicContact CB-CE1 3.83Å; R352-Y377 VanDerWaalsContact CD-CZ 3.47Å; R352-Y377 HydrophobicContact CG-CD1 3.97Å; R352-Y377 HydrophobicContact CG-CD2 4.49Å; R352-Y377 HydrophobicContact CG-CE1 3.69Å; R352-Y377 HydrophobicContact CG-CE2 4.23Å; R352-Y377 HydrophobicContact CG-CG 4.37Å; R352-Y377 VanDerWaalsContact CZ-CE2 3.47Å; R352-E439 IonicContact CZ-OE1 3.69Å; R352-E439 VanDerWaalsContact NH1-CG 3.26Å; R352-E439 IonicContact NH1-OE1 2.91Å; R352-E439 PolarHBondContact NH1-OE1 2.71Å
353	L	98.5	Very high	96.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.3	-44.6	174.9	178.2	58.2	0	0	0	111.8	L343 A349 Q350 K351 Q355 E356 I357 Y377 L378 V481	L343-L353 HydrophobicContact CD1-CD2 3.83Å; L343-L353 HydrophobicContact CD2-CD2 4.42Å; A349-L353 WeakPolarHBondContact O-CB 3.47Å; A349-L353 PolarHBondContact O-N 3.23Å; Q350-L353 WeakPolarHBondContact O-CB 3.27Å; Q350-L353 PolarHBondContact O-N 3.32Å; K351-L353 VanDerWaalsContact C-N 3.34Å; L353-Q355 VanDerWaalsContact C-N 3.28Å; L353-Q355 PolarHBondContact O-N 3.42Å; L353-E356 PolarHBondContact O-N 3.28Å; L353-I357 HydrophobicContact CD1-CD1 4.14Å; L353-I357 HydrophobicContact CD1-CG1 4.35Å; L353-I357 HydrophobicContact CG-CD1 3.94Å; L353-I357 VanDerWaalsContact O-CG1 3.31Å; L353-I357 WeakPolarHBondContact O-CG1 3.47Å; L353-I357 PolarHBondContact O-N 2.8Å; L353-Y377 HydrophobicContact CB-CD1 4.05Å; L353-Y377 HydrophobicContact CB-CE1 4.06Å; L353-Y377 HydrophobicContact CD1-CD1 4.32Å; L353-L378 HydrophobicContact CD1-CB 3.68Å; L353-L378 HydrophobicContact CD1-CD1 3.96Å; L353-L378 HydrophobicContact CD1-CG 4.38Å; L353-L378 HydrophobicContact CD2-CD1 4.29Å; L353-V481 HydrophobicContact CD2-CG1 4.49Å; L353-V481 HydrophobicContact CD2-CG2 4.04Å; L353-V481 HydrophobicContact CG-CG1 4.3Å
354	L	98.3	Very high	96.4	Very high	15 Å²	15	63.6 Å²	63.6	8%	0.079	33%	0.334	C	S	.	.	H	α-helix	trans	-58.3	-40.6	174.8	176.6	61.1	0	0	0	111.9	Q350 K351 I357 R358 V481	Q350-L354 PolarHBondContact O-N 3.2Å; K351-L354 PolarHBondContact O-N 2.91Å; L354-I357 PolarHBondContact O-N 2.82Å; L354-R358 HydrophobicContact CD1-CG 4.28Å; L354-R358 WeakPolarHBondContact O-CG 3.15Å; L354-R358 PolarHBondContact O-N 3.16Å; L354-V481 HydrophobicContact CB-CG1 3.9Å; L354-V481 HydrophobicContact CD1-CG1 4.32Å; L354-V481 WeakPolarHBondContact CD1-O 3.3Å
355	Q	98.2	Very high	96	Very high	98 Å²	98	67.4 Å²	67.4	46%	0.458	35%	0.351	S	S	.	.	H	α-helix	trans	-62.6	-48.8	176.4	-170.7	61.6	51.5	0	0	111.4	K351 R352 L353 I357 R358 D359	K351-Q355 PolarHBondContact O-N 3.34Å; R352-Q355 PolarHBondContact O-N 3.01Å; L353-Q355 VanDerWaalsContact C-N 3.28Å; L353-Q355 PolarHBondContact O-N 3.42Å; Q355-I357 VanDerWaalsContact C-N 3.26Å; Q355-I357 PolarHBondContact O-N 2.95Å; Q355-R358 PolarHBondContact O-N 2.79Å; Q355-R358 VanDerWaalsContact O-N 3.15Å; Q355-D359 PolarHBondContact NE2-OD1 3.11Å; Q355-D359 PolarHBondContact O-N 3.33Å
356	E	98.3	Very high	95.5	Very high	29 Å²	29	68.2 Å²	68.2	14%	0.136	36%	0.36	C	S	.	.	H	α-helix	trans	-57.2	-40.8	176	-177.7	179.7	-106.6	0	0	111.8	R352 L353 D359 V360 M375 P376 Y377 L378	R352-E356 PolarHBondContact O-N 3.28Å; R352-E356 VanDerWaalsContact O-N 3.08Å; L353-E356 PolarHBondContact O-N 3.28Å; E356-D359 PolarHBondContact O-N 3.39Å; E356-V360 VanDerWaalsContact O-CG2 3.32Å; E356-V360 WeakPolarHBondContact O-CG2 3.4Å; E356-V360 PolarHBondContact O-N 3.2Å; E356-M375 HydrophobicContact CG-CB 4.39Å; E356-M375 HydrophobicContact CG-CG 4.33Å; E356-M375 WeakPolarHBondContact OE2-CA 3.41Å; E356-M375 WeakPolarHBondContact OE2-CB 3.19Å; E356-P376 WeakPolarHBondContact OE1-CD 3.44Å; E356-P376 WeakPolarHBondContact OE1-CG 3.41Å; E356-Y377 VanDerWaalsContact CD-CB 3.43Å; E356-Y377 WeakPolarHBondContact OE1-CB 3.26Å; E356-Y377 PolarHBondContact OE1-N 3.33Å; E356-Y377 WeakPolarHBondContact OE2-CA 3.15Å; E356-Y377 WeakPolarHBondContact OE2-CB 2.96Å; E356-Y377 PolarHBondContact OE2-N 2.91Å; E356-L378 PolarHBondContact OE2-N 2.97Å
357	I	97.4	Very high	95.2	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-62.8	-46.7	177.6	-68.6	163.7	0	0	0	110.9	L353 L354 Q355 D359 V360 V361 V481 R482	L353-I357 HydrophobicContact CD1-CD1 4.14Å; L353-I357 HydrophobicContact CD1-CG1 4.35Å; L353-I357 HydrophobicContact CG-CD1 3.94Å; L353-I357 VanDerWaalsContact O-CG1 3.31Å; L353-I357 WeakPolarHBondContact O-CG1 3.47Å; L353-I357 PolarHBondContact O-N 2.8Å; L354-I357 PolarHBondContact O-N 2.82Å; Q355-I357 VanDerWaalsContact C-N 3.26Å; Q355-I357 PolarHBondContact O-N 2.95Å; I357-D359 VanDerWaalsContact C-N 3.31Å; I357-D359 PolarHBondContact O-N 3.24Å; I357-V360 PolarHBondContact O-N 3.18Å; I357-V361 HydrophobicContact CG2-CG2 4.45Å; I357-V361 WeakPolarHBondContact O-CB 3.4Å; I357-V361 PolarHBondContact O-N 3.08Å; I357-V481 HydrophobicContact CD1-CB 3.83Å; I357-V481 HydrophobicContact CD1-CG1 3.8Å; I357-R482 HydrophobicContact CG2-CB 4.26Å
358	R	96.4	Very high	94.8	Very high	144 Å²	144	63.2 Å²	63.2	54%	0.543	33%	0.33	S	S	.	.	H	α-helix	trans	-66.5	-31.7	179.6	-74.3	176.8	172.6	178.4	-2.9	113.2	L354 Q355 V360	L354-R358 HydrophobicContact CD1-CG 4.28Å; L354-R358 WeakPolarHBondContact O-CG 3.15Å; L354-R358 PolarHBondContact O-N 3.16Å; Q355-R358 PolarHBondContact O-N 2.79Å; Q355-R358 VanDerWaalsContact O-N 3.15Å; R358-V360 VanDerWaalsContact C-N 3.33Å
359	D	97.1	Very high	94.2	Very high	115 Å²	115	59.5 Å²	59.5	62%	0.615	30%	0.3	S	S	*	.	H	α-helix	trans	-72.9	-29.2	178.1	-64.8	-19.4	0	0	0	111.9	Q355 E356 I357	Q355-D359 PolarHBondContact NE2-OD1 3.11Å; Q355-D359 PolarHBondContact O-N 3.33Å; E356-D359 PolarHBondContact O-N 3.39Å; I357-D359 VanDerWaalsContact C-N 3.31Å; I357-D359 PolarHBondContact O-N 3.24Å
360	V	97	Very high	93.7	Very high	38 Å²	38	63.6 Å²	63.6	23%	0.23	32%	0.318	C	S	.	.	H	α-helix	trans	-99.4	-34.9	-175	176.5	0	0	0	0	113.1	E356 I357 R358 H371 M375	E356-V360 VanDerWaalsContact O-CG2 3.32Å; E356-V360 WeakPolarHBondContact O-CG2 3.4Å; E356-V360 PolarHBondContact O-N 3.2Å; I357-V360 PolarHBondContact O-N 3.18Å; R358-V360 VanDerWaalsContact C-N 3.33Å; V360-H371 HydrophobicContact CG1-CB 3.98Å; V360-H371 WeakPolarHBondContact CG1-O 3.34Å; V360-M375 HydrophobicContact CB-CE 3.79Å; V360-M375 HydrophobicContact CB-CG 4.32Å; V360-M375 HydrophobicContact CG1-CE 3.65Å; V360-M375 HydrophobicContact CG1-CG 4.18Å; V360-M375 HydrophobicContact CG2-CG 4.23Å
361	V	94.7	Very high	93.4	Very high	7 Å²	7	64.9 Å²	64.9	4%	0.042	32%	0.324	C	S	.	.	S	Bend	trans	-106.9	112.4	-176.6	-172.3	0	0	0	0	109.3	I357 Q365 P367 H371 M375	I357-V361 HydrophobicContact CG2-CG2 4.45Å; I357-V361 WeakPolarHBondContact O-CB 3.4Å; I357-V361 PolarHBondContact O-N 3.08Å; V361-Q365 WeakPolarHBondContact CG1-O 3.27Å; V361-P367 HydrophobicContact CG1-CG 4.48Å; V361-H371 HydrophobicContact CG2-CB 4.03Å; V361-M375 HydrophobicContact CG2-CE 3.36Å
362	P	91.1	Very high	93	Very high	46 Å²	46	57.3 Å²	57.3	30%	0.299	29%	0.291	S	S	.	.			trans	-57.4	149	174	-26.1	36	0	0	0	112.3	D364 Q365	P362-D364 VanDerWaalsContact CB-OD1 3.24Å; P362-D364 WeakPolarHBondContact CB-OD1 3.39Å; P362-D364 PolarHBondContact O-N 3.26Å; P362-D364 VanDerWaalsContact O-N 3.12Å; P362-Q365 HydrophobicContact CB-CB 4.34Å; P362-Q365 HydrophobicContact CB-CG 4.16Å; P362-Q365 HydrophobicContact CG-CG 4.37Å; P362-Q365 PolarHBondContact O-N 3.36Å
363	P	85.8	Confident	92.7	Very high	140 Å²	140	57.7 Å²	57.7	91%	0.909	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-25.6	-177.7	-25.8	34.8	0	0	0	115.3
364	D	87.5	Confident	92.5	Very high	135 Å²	135	61.4 Å²	61.4	72%	0.722	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	6.7	-178.9	63.3	-40.7	0	0	0	113.3	P362	P362-D364 VanDerWaalsContact CB-OD1 3.24Å; P362-D364 WeakPolarHBondContact CB-OD1 3.39Å; P362-D364 PolarHBondContact O-N 3.26Å; P362-D364 VanDerWaalsContact O-N 3.12Å
365	Q	89.3	Confident	92.4	Very high	84 Å²	84	60.7 Å²	60.7	39%	0.393	32%	0.318	S	S	.	.	S	Bend	trans	-124.9	151	-177	-64.8	-173.8	20.9	0	0	113	V361 P362 R482	V361-Q365 WeakPolarHBondContact CG1-O 3.27Å; P362-Q365 HydrophobicContact CB-CB 4.34Å; P362-Q365 HydrophobicContact CB-CG 4.16Å; P362-Q365 HydrophobicContact CG-CG 4.37Å; P362-Q365 PolarHBondContact O-N 3.36Å; Q365-R482 PolarHBondContact O-NH1 2.83Å; Q365-R482 VanDerWaalsContact O-NH1 3.11Å
366	D	88.9	Confident	92.3	Very high	78 Å²	78	59.5 Å²	59.5	42%	0.417	32%	0.319	S	S	.	.			trans	-89.2	144	175.3	-73.8	-29.7	0	0	0	112.5	C368 H371 W479 R482	D366-C368 PolarHBondContact O-N 2.75Å; D366-H371 PolarHBondContact O-CE1 2.6Å; D366-H371 PolarHBondContact O-ND1 3.35Å; D366-W479 HydrophobicContact CB-CH2 3.97Å; D366-W479 HydrophobicContact CB-CZ2 3.63Å; D366-W479 WeakPolarHBondContact OD1-CH2 3.4Å; D366-R482 IonicContact OD1-NH1 3.38Å; D366-R482 PolarHBondContact OD1-NH1 2.86Å; D366-R482 IonicContact OD1-NH2 3.65Å
367	P	89.9	Confident	92.3	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.313	C	S	.	.			trans	-56.4	128	172.9	-26.2	31.8	0	0	0	112	N180 V361 C478 W479 R482	N180-P367 PolarHBondContact ND2-O 2.72Å; V361-P367 HydrophobicContact CG1-CG 4.48Å; P367-C478 HydrophobicContact CB-CB 4.04Å; P367-C478 HydrophobicContact CG-CB 4.27Å; P367-C478 VanDerWaalsContact CG-SG 3.6Å; P367-W479 HydrophobicContact CG-CD2 4.33Å; P367-W479 HydrophobicContact CG-CG 4.13Å; P367-R482 VanDerWaalsContact CD-NH1 3.26Å
368	C	89.4	Confident	92.4	Very high	29 Å²	29	58.3 Å²	58.3	20%	0.196	31%	0.313	C	S	.	.			trans	-136.4	166.9	179.5	78	0	0	0	0	110.4	D176 D366 E370 H371 I372	D176-C368 WeakPolarHBondContact OD2-CA 3.5Å; D176-C368 VanDerWaalsContact OD2-CB 3.3Å; D176-C368 WeakPolarHBondContact OD2-CB 3.38Å; D366-C368 PolarHBondContact O-N 2.75Å; C368-E370 PolarHBondContact O-N 2.89Å; C368-E370 VanDerWaalsContact O-N 3.16Å; C368-H371 PolarHBondContact N-ND1 3.42Å; C368-H371 WeakPolarHBondContact O-CB 3.39Å; C368-H371 PolarHBondContact O-N 3.35Å; C368-H371 VanDerWaalsContact SG-CE1 3.53Å; C368-H371 PolarHBondContact SG-ND1 3.19Å; C368-H371 VanDerWaalsContact SG-ND1 3.35Å; C368-I372 WeakPolarHBondContact O-CG1 3.49Å; C368-I372 PolarHBondContact O-N 2.94Å
369	G	86.9	Confident	92.4	Very high	4 Å²	4	54.6 Å²	54.6	4%	0.041	30%	0.301	C	S	.	.	H	α-helix	trans	-60.3	-26.9	-175.5	0	0	0	0	0	113.6	D176	D176-G369 PolarHBondContact OD1-N 3.41Å; D176-G369 PolarHBondContact OD2-N 3.45Å
370	E	88.2	Confident	92.5	Very high	96 Å²	96	49.3 Å²	49.3	45%	0.449	27%	0.273	S	S	.	.	H	α-helix	trans	-69.4	-44	173.1	-67.8	-57.5	132.8	0	0	111.6	V173 C368 I372 K373	V173-E370 WeakPolarHBondContact CG1-OE1 3.39Å; C368-E370 PolarHBondContact O-N 2.89Å; C368-E370 VanDerWaalsContact O-N 3.16Å; E370-I372 VanDerWaalsContact C-N 3.29Å; E370-I372 PolarHBondContact O-N 2.95Å; E370-K373 WeakPolarHBondContact O-CB 3.16Å; E370-K373 PolarHBondContact O-N 2.68Å; E370-K373 VanDerWaalsContact O-N 3.13Å; E370-K373 WeakPolarHBondContact OE1-CE 3.36Å; E370-K373 IonicContact OE1-NZ 2.92Å; E370-K373 PolarHBondContact OE1-NZ 2.89Å; E370-K373 WeakPolarHBondContact OE2-CE 3.47Å; E370-K373 IonicContact OE2-NZ 3.52Å; E370-K373 PolarHBondContact OE2-NZ 3.14Å
371	H	91.8	Very high	92.6	Very high	32 Å²	32	47.5 Å²	47.5	15%	0.148	26%	0.262	C	S	.	.	H	α-helix	trans	-57.7	-43.3	174.5	-59.4	147.2	0	0	0	111.3	V360 V361 D366 C368 K373 S374 M375	V360-H371 HydrophobicContact CG1-CB 3.98Å; V360-H371 WeakPolarHBondContact CG1-O 3.34Å; V361-H371 HydrophobicContact CG2-CB 4.03Å; D366-H371 PolarHBondContact O-CE1 2.6Å; D366-H371 PolarHBondContact O-ND1 3.35Å; C368-H371 PolarHBondContact N-ND1 3.42Å; C368-H371 WeakPolarHBondContact O-CB 3.39Å; C368-H371 PolarHBondContact O-N 3.35Å; C368-H371 VanDerWaalsContact SG-CE1 3.53Å; C368-H371 PolarHBondContact SG-ND1 3.19Å; C368-H371 VanDerWaalsContact SG-ND1 3.35Å; H371-K373 PolarHBondContact O-N 3.43Å; H371-K373 VanDerWaalsContact O-N 3.07Å; H371-S374 PolarHBondContact O-N 2.97Å; H371-M375 HydrophobicContact CB-CE 4.03Å
372	I	91.1	Very high	92.7	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-58.5	-26.3	-179.9	-59.4	-53.2	0	0	0	112.8	C368 E370 S374 M375 L378 K379 Q474 L475 C478	C368-I372 WeakPolarHBondContact O-CG1 3.49Å; C368-I372 PolarHBondContact O-N 2.94Å; E370-I372 VanDerWaalsContact C-N 3.29Å; E370-I372 PolarHBondContact O-N 2.95Å; I372-S374 PolarHBondContact O-N 3.33Å; I372-M375 HydrophobicContact CD1-SD 3.69Å; I372-M375 PolarHBondContact O-N 3.35Å; I372-L378 HydrophobicContact CD1-CD2 3.7Å; I372-K379 WeakPolarHBondContact O-CE 3.07Å; I372-K379 PolarHBondContact O-NZ 2.79Å; I372-Q474 HydrophobicContact CD1-CB 4.15Å; I372-Q474 HydrophobicContact CG1-CB 4.34Å; I372-Q474 HydrophobicContact CG2-CB 3.8Å; I372-Q474 HydrophobicContact CG2-CG 4.12Å; I372-L475 HydrophobicContact CD1-CD2 4.21Å; I372-L475 HydrophobicContact CG1-CD2 3.81Å; I372-L475 HydrophobicContact CG1-CG 4.38Å; I372-C478 HydrophobicContact CD1-CB 4.31Å
373	K	90.6	Very high	93	Very high	115 Å²	115	49.2 Å²	49.2	50%	0.5	27%	0.265	S	S	.	.	H	α-helix	trans	-58.5	-35.9	176.3	-66.6	179.1	-172.9	167	0	111.5	E370 H371 K379	E370-K373 WeakPolarHBondContact O-CB 3.16Å; E370-K373 PolarHBondContact O-N 2.68Å; E370-K373 VanDerWaalsContact O-N 3.13Å; E370-K373 WeakPolarHBondContact OE1-CE 3.36Å; E370-K373 IonicContact OE1-NZ 2.92Å; E370-K373 PolarHBondContact OE1-NZ 2.89Å; E370-K373 WeakPolarHBondContact OE2-CE 3.47Å; E370-K373 IonicContact OE2-NZ 3.52Å; E370-K373 PolarHBondContact OE2-NZ 3.14Å; H371-K373 PolarHBondContact O-N 3.43Å; H371-K373 VanDerWaalsContact O-N 3.07Å; K373-K379 PolarHBondContact O-NZ 3.46Å
374	S	94.3	Very high	93.6	Very high	78 Å²	78	42.5 Å²	42.5	55%	0.545	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	12.2	-177.4	-57.3	0	0	0	0	114.6	H371 I372 P376	H371-S374 PolarHBondContact O-N 2.97Å; I372-S374 PolarHBondContact O-N 3.33Å; S374-P376 WeakPolarHBondContact O-CD 3.22Å
375	M	96.6	Very high	94.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.			trans	-112.5	73.3	179.5	-62.4	177.8	-177.7	0	0	112.3	E356 V360 V361 H371 I372 Y377 L378 K379	E356-M375 HydrophobicContact CG-CB 4.39Å; E356-M375 HydrophobicContact CG-CG 4.33Å; E356-M375 WeakPolarHBondContact OE2-CA 3.41Å; E356-M375 WeakPolarHBondContact OE2-CB 3.19Å; V360-M375 HydrophobicContact CB-CE 3.79Å; V360-M375 HydrophobicContact CB-CG 4.32Å; V360-M375 HydrophobicContact CG1-CE 3.65Å; V360-M375 HydrophobicContact CG1-CG 4.18Å; V360-M375 HydrophobicContact CG2-CG 4.23Å; V361-M375 HydrophobicContact CG2-CE 3.36Å; H371-M375 HydrophobicContact CB-CE 4.03Å; I372-M375 HydrophobicContact CD1-SD 3.69Å; I372-M375 PolarHBondContact O-N 3.35Å; M375-Y377 VanDerWaalsContact C-N 3.34Å; M375-L378 HydrophobicContact CB-CB 3.85Å; M375-L378 HydrophobicContact CB-CD2 4.2Å; M375-L378 HydrophobicContact SD-CD2 3.74Å; M375-K379 WeakPolarHBondContact O-CG 3.39Å; M375-K379 PolarHBondContact O-N 3.13Å
376	P	97.1	Very high	94.5	Very high	73 Å²	73	33 Å²	33	47%	0.474	17%	0.173	S	C	.	.	H	α-helix	trans	-64.7	-33.6	178.6	26.8	-35.4	0	0	0	113.5	E356 S374 K379 A380 L442	E356-P376 WeakPolarHBondContact OE1-CD 3.44Å; E356-P376 WeakPolarHBondContact OE1-CG 3.41Å; S374-P376 WeakPolarHBondContact O-CD 3.22Å; P376-K379 PolarHBondContact O-N 3.42Å; P376-A380 WeakPolarHBondContact O-CB 3.47Å; P376-A380 PolarHBondContact O-N 2.94Å; P376-L442 HydrophobicContact CB-CD2 4.21Å
377	Y	98.3	Very high	94.9	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.016	15%	0.154	C	C	.	.	H	α-helix	trans	-73.3	-38.7	-178.4	-168.4	-103.3	0	0	0	111.9	A349 R352 L353 E356 M375 K379 A380 C381 P438 E439 L442	A349-Y377 WeakPolarHBondContact CA-OH 3.48Å; A349-Y377 WeakPolarHBondContact CB-OH 3.25Å; A349-Y377 WeakPolarHBondContact O-CE1 3.27Å; R352-Y377 HydrophobicContact CB-CD1 4.47Å; R352-Y377 HydrophobicContact CB-CE1 3.83Å; R352-Y377 VanDerWaalsContact CD-CZ 3.47Å; R352-Y377 HydrophobicContact CG-CD1 3.97Å; R352-Y377 HydrophobicContact CG-CD2 4.49Å; R352-Y377 HydrophobicContact CG-CE1 3.69Å; R352-Y377 HydrophobicContact CG-CE2 4.23Å; R352-Y377 HydrophobicContact CG-CG 4.37Å; R352-Y377 VanDerWaalsContact CZ-CE2 3.47Å; L353-Y377 HydrophobicContact CB-CD1 4.05Å; L353-Y377 HydrophobicContact CB-CE1 4.06Å; L353-Y377 HydrophobicContact CD1-CD1 4.32Å; E356-Y377 VanDerWaalsContact CD-CB 3.43Å; E356-Y377 WeakPolarHBondContact OE1-CB 3.26Å; E356-Y377 PolarHBondContact OE1-N 3.33Å; E356-Y377 WeakPolarHBondContact OE2-CA 3.15Å; E356-Y377 WeakPolarHBondContact OE2-CB 2.96Å; E356-Y377 PolarHBondContact OE2-N 2.91Å; M375-Y377 VanDerWaalsContact C-N 3.34Å; Y377-K379 VanDerWaalsContact C-N 3.32Å; Y377-K379 PolarHBondContact O-N 3.14Å; Y377-A380 CarbonylContact O-C 3.46Å; Y377-A380 WeakPolarHBondContact O-CA 3.27Å; Y377-A380 WeakPolarHBondContact O-CB 3.36Å; Y377-A380 PolarHBondContact O-N 2.8Å; Y377-A380 VanDerWaalsContact O-N 3.08Å; Y377-C381 PolarHBondContact O-N 3.49Å; Y377-C381 PolarHBondContact O-SG 2.93Å; Y377-C381 VanDerWaalsContact O-SG 3.36Å; Y377-P438 HydrophobicContact CD2-CB 4.29Å; Y377-P438 HydrophobicContact CE2-CB 3.66Å; Y377-P438 HydrophobicContact CE2-CG 4.35Å; Y377-E439 WeakPolarHBondContact CE2-OE1 3.31Å; Y377-E439 PolarHBondContact OH-OE1 2.73Å; Y377-L442 HydrophobicContact CD2-CD1 4.24Å
378	L	98.3	Very high	95.2	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-54.1	-47.6	168.6	175.1	60.7	0	0	0	112.1	L353 E356 I372 M375 A380 C381 L382 Q474 M477 C478	L353-L378 HydrophobicContact CD1-CB 3.68Å; L353-L378 HydrophobicContact CD1-CD1 3.96Å; L353-L378 HydrophobicContact CD1-CG 4.38Å; L353-L378 HydrophobicContact CD2-CD1 4.29Å; E356-L378 PolarHBondContact OE2-N 2.97Å; I372-L378 HydrophobicContact CD1-CD2 3.7Å; M375-L378 HydrophobicContact CB-CB 3.85Å; M375-L378 HydrophobicContact CB-CD2 4.2Å; M375-L378 HydrophobicContact SD-CD2 3.74Å; L378-A380 VanDerWaalsContact C-N 3.27Å; L378-A380 PolarHBondContact O-N 3.12Å; L378-C381 PolarHBondContact O-N 3.29Å; L378-L382 PolarHBondContact O-N 3.42Å; L378-L382 VanDerWaalsContact O-N 3.17Å; L378-Q474 HydrophobicContact CD2-CB 4Å; L378-Q474 HydrophobicContact CD2-CG 4.31Å; L378-Q474 HydrophobicContact CG-CG 4.37Å; L378-M477 HydrophobicContact CD1-CB 3.86Å; L378-C478 HydrophobicContact CD2-CB 4.47Å
379	K	97.6	Very high	95.4	Very high	67 Å²	67	30.4 Å²	30.4	29%	0.291	16%	0.158	S	C	.	.	H	α-helix	trans	-62.5	-37.8	177	-67.2	168.6	-171.9	159	0	111.3	I372 K373 M375 P376 Y377 K383	I372-K379 WeakPolarHBondContact O-CE 3.07Å; I372-K379 PolarHBondContact O-NZ 2.79Å; K373-K379 PolarHBondContact O-NZ 3.46Å; M375-K379 WeakPolarHBondContact O-CG 3.39Å; M375-K379 PolarHBondContact O-N 3.13Å; P376-K379 PolarHBondContact O-N 3.42Å; Y377-K379 VanDerWaalsContact C-N 3.32Å; Y377-K379 PolarHBondContact O-N 3.14Å; K379-K383 WeakPolarHBondContact O-CG 3.42Å; K379-K383 PolarHBondContact O-N 3.4Å; K379-K383 VanDerWaalsContact O-N 3.09Å
380	A	97.9	Very high	95.8	Very high	3 Å²	3	30.3 Å²	30.3	3%	0.025	16%	0.157	C	C	.	.	H	α-helix	trans	-66.2	-42.4	176.5	0	0	0	0	0	112.4	P376 Y377 L378 L382 K383 E384 P438 W441 L442	P376-A380 WeakPolarHBondContact O-CB 3.47Å; P376-A380 PolarHBondContact O-N 2.94Å; Y377-A380 CarbonylContact O-C 3.46Å; Y377-A380 WeakPolarHBondContact O-CA 3.27Å; Y377-A380 WeakPolarHBondContact O-CB 3.36Å; Y377-A380 PolarHBondContact O-N 2.8Å; Y377-A380 VanDerWaalsContact O-N 3.08Å; L378-A380 VanDerWaalsContact C-N 3.27Å; L378-A380 PolarHBondContact O-N 3.12Å; A380-L382 VanDerWaalsContact C-N 3.33Å; A380-L382 PolarHBondContact O-N 3.06Å; A380-K383 PolarHBondContact O-N 3.41Å; A380-E384 WeakPolarHBondContact O-CB 3.24Å; A380-E384 PolarHBondContact O-N 2.98Å; A380-P438 HydrophobicContact CB-CB 4Å; A380-P438 WeakPolarHBondContact CB-O 3.38Å; A380-W441 HydrophobicContact CB-CB 3.85Å; A380-L442 HydrophobicContact CB-CD2 4.12Å
381	C	98.6	Very high	96.1	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.007	14%	0.139	C	C	.	.	H	α-helix	trans	-58.3	-44.6	175.3	-72	0	0	0	0	111.7	Y377 L378 E384 S385 F436 P438	Y377-C381 PolarHBondContact O-N 3.49Å; Y377-C381 PolarHBondContact O-SG 2.93Å; Y377-C381 VanDerWaalsContact O-SG 3.36Å; L378-C381 PolarHBondContact O-N 3.29Å; C381-E384 PolarHBondContact O-N 3.14Å; C381-S385 WeakPolarHBondContact O-CB 3.42Å; C381-S385 PolarHBondContact O-N 2.87Å; C381-F436 HydrophobicContact CB-CZ 4.15Å; C381-P438 HydrophobicContact CB-CG 4.39Å; C381-P438 VanDerWaalsContact SG-CG 3.55Å
382	L	98.3	Very high	96.3	Very high	10 Å²	10	27.4 Å²	27.4	5%	0.052	15%	0.148	C	C	.	.	H	α-helix	trans	-66.5	-43.5	178.3	-70.2	171.8	0	0	0	112.4	V339 L378 A380 E384 S385 M386 L473 Q474 M477	V339-L382 HydrophobicContact CB-CD2 4.14Å; V339-L382 HydrophobicContact CG1-CD2 3.99Å; V339-L382 HydrophobicContact CG2-CD2 3.98Å; L378-L382 PolarHBondContact O-N 3.42Å; L378-L382 VanDerWaalsContact O-N 3.17Å; A380-L382 VanDerWaalsContact C-N 3.33Å; A380-L382 PolarHBondContact O-N 3.06Å; L382-E384 VanDerWaalsContact C-N 3.32Å; L382-E384 PolarHBondContact O-N 3.06Å; L382-S385 PolarHBondContact O-N 3.35Å; L382-M386 WeakPolarHBondContact O-CG 3.48Å; L382-M386 PolarHBondContact O-N 3.09Å; L382-L473 HydrophobicContact CD1-CB 4.03Å; L382-L473 HydrophobicContact CD2-CB 4Å; L382-Q474 HydrophobicContact CD1-CB 4.29Å; L382-Q474 HydrophobicContact CD1-CG 3.32Å; L382-M477 HydrophobicContact CD2-CG 4.29Å
383	K	97.6	Very high	96.4	Very high	78 Å²	78	27.4 Å²	27.4	34%	0.339	15%	0.148	S	C	.	.	H	α-helix	trans	-60.8	-42.7	175	-74	-179.6	70.5	-171.8	0	111.7	K379 A380 M386 R387 W441 H453	K379-K383 WeakPolarHBondContact O-CG 3.42Å; K379-K383 PolarHBondContact O-N 3.4Å; K379-K383 VanDerWaalsContact O-N 3.09Å; A380-K383 PolarHBondContact O-N 3.41Å; K383-M386 PolarHBondContact O-N 2.67Å; K383-R387 PolarHBondContact O-N 3.03Å; K383-W441 HydrophobicContact CB-CD2 4Å; K383-W441 HydrophobicContact CB-CG 4.09Å; K383-W441 HydrophobicContact CB-CZ2 4.41Å; K383-W441 HydrophobicContact CD-CD2 4.38Å; K383-W441 HydrophobicContact CD-CE3 4.41Å; K383-W441 VanDerWaalsContact CE-CE3 3.4Å; K383-H453 PolarHBondContact O-CE1 2.79Å
384	E	97.9	Very high	96.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-66.8	-40.7	178.5	-174	64	172.9	0	0	112.1	A380 C381 L382 M386 R387 L388 F436 K437 R440 W441	A380-E384 WeakPolarHBondContact O-CB 3.24Å; A380-E384 PolarHBondContact O-N 2.98Å; C381-E384 PolarHBondContact O-N 3.14Å; L382-E384 VanDerWaalsContact C-N 3.32Å; L382-E384 PolarHBondContact O-N 3.06Å; E384-M386 PolarHBondContact O-N 2.73Å; E384-R387 WeakPolarHBondContact O-CB 3.43Å; E384-R387 PolarHBondContact O-N 2.85Å; E384-R387 VanDerWaalsContact O-N 3.15Å; E384-R387 IonicContact OE1-CZ 3.78Å; E384-R387 IonicContact OE1-NE 3.24Å; E384-R387 PolarHBondContact OE1-NE 3.49Å; E384-R387 IonicContact OE1-NH2 2.91Å; E384-R387 PolarHBondContact OE1-NH2 3.37Å; E384-R387 IonicContact OE2-CZ 2.78Å; E384-R387 IonicContact OE2-NE 3.6Å; E384-R387 PolarHBondContact OE2-NE 3.09Å; E384-R387 IonicContact OE2-NH2 3.35Å; E384-L388 HydrophobicContact CG-CD1 4.36Å; E384-L388 PolarHBondContact O-N 3.22Å; E384-L388 VanDerWaalsContact O-N 3.07Å; E384-F436 HydrophobicContact CB-CD2 4.17Å; E384-F436 HydrophobicContact CB-CE2 3.88Å; E384-F436 HydrophobicContact CB-CZ 4.44Å; E384-F436 HydrophobicContact CG-CD2 3.56Å; E384-F436 HydrophobicContact CG-CE2 3.81Å; E384-F436 HydrophobicContact CG-CG 4.07Å; E384-K437 PolarHBondContact OE1-N 3.35Å; E384-R440 VanDerWaalsContact CD-NE 3.31Å; E384-R440 IonicContact OE1-CZ 2.96Å; E384-R440 IonicContact OE1-NE 3.89Å; E384-R440 PolarHBondContact OE1-NE 3.03Å; E384-R440 IonicContact OE1-NH2 3.96Å; E384-R440 PolarHBondContact OE1-NH2 3.35Å; E384-R440 VanDerWaalsContact OE2-CD 3.22Å; E384-R440 WeakPolarHBondContact OE2-CD 3.46Å; E384-R440 IonicContact OE2-CZ 3.93Å; E384-R440 IonicContact OE2-NE 2.63Å; E384-R440 PolarHBondContact OE2-NE 2.88Å; E384-R440 VanDerWaalsContact OE2-NE 3.15Å; E384-W441 PolarHBondContact OE2-NE1 2.86Å
385	S	98.1	Very high	96.6	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.014	11%	0.11	C	C	.	.	H	α-helix	trans	-60.3	-46	174.5	-172.3	0	0	0	0	111.4	W338 V339 N342 C381 L382 R387 L388 S389	W338-S385 PolarHBondContact O-OG 3.04Å; V339-S385 VanDerWaalsContact CA-OG 3.23Å; V339-S385 WeakPolarHBondContact CA-OG 3.22Å; V339-S385 PolarHBondContact N-OG 2.92Å; N342-S385 PolarHBondContact ND2-OG 2.84Å; C381-S385 WeakPolarHBondContact O-CB 3.42Å; C381-S385 PolarHBondContact O-N 2.87Å; L382-S385 PolarHBondContact O-N 3.35Å; S385-R387 PolarHBondContact O-N 3.27Å; S385-L388 PolarHBondContact O-N 2.94Å; S385-S389 CarbonylContact O-C 3.55Å; S385-S389 PolarHBondContact O-N 3.26Å
386	M	97.8	Very high	96.6	Very high	18 Å²	18	21.3 Å²	21.3	9%	0.089	12%	0.115	C	C	.	.	H	α-helix	trans	-69.2	-20.9	177.9	-68.8	179.3	-170.2	0	0	113.4	L382 K383 E384 P390 P455 F456 L473	L382-M386 WeakPolarHBondContact O-CG 3.48Å; L382-M386 PolarHBondContact O-N 3.09Å; K383-M386 PolarHBondContact O-N 2.67Å; E384-M386 PolarHBondContact O-N 2.73Å; M386-P390 WeakPolarHBondContact O-CA 3.4Å; M386-P390 VanDerWaalsContact O-CB 3.3Å; M386-P390 WeakPolarHBondContact O-CB 3.13Å; M386-P455 HydrophobicContact CB-CB 3.94Å; M386-P455 HydrophobicContact CB-CG 4.08Å; M386-P455 HydrophobicContact CG-CB 4.49Å; M386-P455 HydrophobicContact SD-CB 4.19Å; M386-P455 HydrophobicContact SD-CG 4.02Å; M386-F456 HydrophobicContact CE-CE2 4Å; M386-F456 HydrophobicContact CE-CZ 3.82Å; M386-F456 HydrophobicContact SD-CE2 3.6Å; M386-F456 VanDerWaalsContact SD-CE2 3.6Å; M386-F456 HydrophobicContact SD-CZ 3.96Å; M386-L473 HydrophobicContact CE-CD1 3.42Å; M386-L473 VanDerWaalsContact CE-CD1 3.42Å
387	R	97	Very high	96.5	Very high	3 Å²	3	18.1 Å²	18.1	1%	0.011	9%	0.093	C	C	.	.	H	α-helix	trans	-74.6	-48.3	174.1	-175.1	-161.2	60.7	78.3	-6.8	110.8	K383 E384 S385 G424 F430 G433 Q435 W441	K383-R387 PolarHBondContact O-N 3.03Å; E384-R387 WeakPolarHBondContact O-CB 3.43Å; E384-R387 PolarHBondContact O-N 2.85Å; E384-R387 VanDerWaalsContact O-N 3.15Å; E384-R387 IonicContact OE1-CZ 3.78Å; E384-R387 IonicContact OE1-NE 3.24Å; E384-R387 PolarHBondContact OE1-NE 3.49Å; E384-R387 IonicContact OE1-NH2 2.91Å; E384-R387 PolarHBondContact OE1-NH2 3.37Å; E384-R387 IonicContact OE2-CZ 2.78Å; E384-R387 IonicContact OE2-NE 3.6Å; E384-R387 PolarHBondContact OE2-NE 3.09Å; E384-R387 IonicContact OE2-NH2 3.35Å; S385-R387 PolarHBondContact O-N 3.27Å; R387-G424 WeakPolarHBondContact CG-O 3.31Å; R387-G424 PolarHBondContact NH1-O 3.32Å; R387-F430 VanDerWaalsContact CD-CE1 3.41Å; R387-F430 HydrophobicContact CG-CE1 4.23Å; R387-F430 HydrophobicContact CG-CE2 4.31Å; R387-F430 HydrophobicContact CG-CZ 4.13Å; R387-G433 PolarHBondContact NH1-O 2.91Å; R387-G433 PolarHBondContact NH2-O 2.89Å; R387-Q435 PolarHBondContact NH2-O 3.06Å; R387-W441 HydrophobicContact CB-CZ2 4.13Å; R387-W441 HydrophobicContact CG-CZ2 4.37Å
388	L	95.2	Very high	96.4	Very high	31 Å²	31	19.1 Å²	19.1	16%	0.162	10%	0.1	C	C	.	.	H	α-helix	trans	-73.3	-43.1	-178.6	-78.6	168	0	0	0	112.7	E384 S385 G433 F436	E384-L388 HydrophobicContact CG-CD1 4.36Å; E384-L388 PolarHBondContact O-N 3.22Å; E384-L388 VanDerWaalsContact O-N 3.07Å; S385-L388 PolarHBondContact O-N 2.94Å; L388-G433 WeakPolarHBondContact CD2-O 3.46Å; L388-F436 HydrophobicContact CD1-CB 3.78Å; L388-F436 HydrophobicContact CD1-CD2 3.86Å; L388-F436 HydrophobicContact CD1-CG 4.32Å
389	S	93.9	Very high	96.3	Very high	17 Å²	17	19.6 Å²	19.6	12%	0.119	10%	0.102	C	C	.	.	S	Bend	trans	-132.7	67.5	-171.4	-48.6	0	0	0	0	109.6	W338 S385 S391	W338-S389 VanDerWaalsContact CD2-CB 3.45Å; S385-S389 CarbonylContact O-C 3.55Å; S385-S389 PolarHBondContact O-N 3.26Å; S389-S391 PolarHBondContact O-N 3.24Å
390	P	95.1	Very high	96.1	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.019	11%	0.106	C	C	.	.			trans	-68.7	130.1	-178.7	25.6	-31.4	0	0	0	111	M386 V392 H421 L502	M386-P390 WeakPolarHBondContact O-CA 3.4Å; M386-P390 VanDerWaalsContact O-CB 3.3Å; M386-P390 WeakPolarHBondContact O-CB 3.13Å; P390-V392 VanDerWaalsContact C-N 3.26Å; P390-V392 PolarHBondContact O-N 3.46Å; P390-H421 HydrophobicContact CG-CB 3.79Å; P390-L502 HydrophobicContact CG-CD1 4.23Å; P390-L502 WeakPolarHBondContact O-CB 3.26Å; P390-L502 WeakPolarHBondContact O-CD1 3.31Å
391	S	95.4	Very high	95.9	Very high	10 Å²	10	24.1 Å²	24.1	7%	0.07	13%	0.125	C	C	.	.	S	Bend	trans	-58.2	-37.3	175.3	-63.7	0	0	0	0	113.3	N334 S335 S389 L501 L502	N334-S391 WeakPolarHBondContact ND2-CA 3.32Å; N334-S391 VanDerWaalsContact ND2-CB 3.34Å; N334-S391 WeakPolarHBondContact ND2-CB 3.39Å; N334-S391 PolarHBondContact ND2-OG 3.28Å; S335-S391 PolarHBondContact N-OG 3.11Å; S335-S391 PolarHBondContact OG-OG 3.17Å; S389-S391 PolarHBondContact O-N 3.24Å; S391-L501 CarbonylContact O-C 3.58Å; S391-L501 VanDerWaalsContact O-CA 3.31Å; S391-L501 WeakPolarHBondContact O-CA 3.2Å; S391-L501 WeakPolarHBondContact O-CB 3.32Å; S391-L501 WeakPolarHBondContact O-CD2 3.47Å; S391-L502 PolarHBondContact O-N 3.41Å
392	V	95.5	Very high	95.8	Very high	57 Å²	57	29.9 Å²	29.9	35%	0.345	16%	0.155	S	C	.	.	S	Bend	trans	-111.4	115.4	178.8	179.6	0	0	0	0	109.1	P390 F394 L501	P390-V392 VanDerWaalsContact C-N 3.26Å; P390-V392 PolarHBondContact O-N 3.46Å; V392-F394 VanDerWaalsContact CG1-O 3.27Å; V392-F394 WeakPolarHBondContact CG1-O 3.25Å; V392-F394 PolarHBondContact O-N 3.32Å; V392-L501 HydrophobicContact CG2-CD2 3.79Å
393	P	93.8	Very high	95.6	Very high	4 Å²	4	29.9 Å²	29.9	3%	0.026	16%	0.156	C	C	.	.			trans	-72.6	-30	-172.3	25.1	-31.2	0	0	0	113.4	H83 C420 H421 L502	H83-P393 HydrophobicContact CB-CB 4.11Å; P393-C420 PolarHBondContact O-N 3.49Å; P393-H421 HydrophobicContact CB-CB 4.44Å; P393-H421 PolarHBondContact O-N 3.36Å; P393-L502 HydrophobicContact CB-CD1 3.94Å; P393-L502 HydrophobicContact CB-CD2 3.97Å; P393-L502 HydrophobicContact CB-CG 3.9Å; P393-L502 HydrophobicContact CG-CD2 4.01Å; P393-L502 HydrophobicContact CG-CG 4.11Å
394	F	94.7	Very high	95.5	Very high	39 Å²	39	29.4 Å²	29.4	17%	0.171	16%	0.159	C	C	.	.			trans	-155.4	159.3	-177.6	48.5	-105.5	0	0	0	112.4	L86 V392 M417 I418 H498	L86-F394 HydrophobicContact CD1-CD1 3.68Å; L86-F394 HydrophobicContact CD1-CE1 3.93Å; V392-F394 VanDerWaalsContact CG1-O 3.27Å; V392-F394 WeakPolarHBondContact CG1-O 3.25Å; V392-F394 PolarHBondContact O-N 3.32Å; F394-M417 HydrophobicContact CD2-CE 3.25Å; F394-M417 HydrophobicContact CE2-CE 3.53Å; F394-M417 HydrophobicContact CG-CE 3.99Å; F394-M417 HydrophobicContact CZ-CE 4.43Å; F394-I418 CarbonylContact C-O 3.42Å; F394-I418 WeakPolarHBondContact CA-O 3.48Å; F394-I418 WeakPolarHBondContact CB-O 3.48Å; F394-H498 AromaticContact CE1-CE1 3.92Å; F394-H498 AromaticContact CZ-CE1 3.65Å
395	T	94.6	Very high	95.3	Very high	13 Å²	13	29.4 Å²	29.4	8%	0.08	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	174.5	168.9	-168.2	0	0	0	0	110.2	R128 M417 I418	R128-T395 VanDerWaalsContact CZ-OG1 3.23Å; R128-T395 PolarHBondContact NH1-OG1 3.24Å; T395-M417 CarbonylContact O-C 3.52Å; T395-I418 HydrophobicContact CG2-CB 3.8Å; T395-I418 HydrophobicContact CG2-CD1 3.9Å; T395-I418 HydrophobicContact CG2-CG1 4.42Å; T395-I418 HydrophobicContact CG2-CG2 4.19Å; T395-I418 PolarHBondContact N-O 2.97Å; T395-I418 PolarHBondContact O-N 3.45Å
396	S	95.4	Very high	94.9	Very high	13 Å²	13	31.4 Å²	31.4	9%	0.091	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	157.9	-176.7	59.2	0	0	0	0	113.5	L129 L416	L129-S396 WeakPolarHBondContact CB-OG 3.18Å; L129-S396 PolarHBondContact N-OG 3.36Å; S396-L416 CarbonylContact C-O 3.57Å; S396-L416 WeakPolarHBondContact CA-O 3.47Å
397	R	96.2	Very high	94.7	Very high	7 Å²	7	34.1 Å²	34.1	3%	0.026	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	132.8	166.4	-72.1	-62.9	-176.8	-77.8	-2.6	110	L118 Y119 E122 Q127 L416 I418 I458	L118-R397 HydrophobicContact CD2-CG 4.44Å; Y119-R397 PolarHBondContact OH-NH2 3.23Å; E122-R397 IonicContact OE1-CZ 3.19Å; E122-R397 IonicContact OE1-NE 2.95Å; E122-R397 PolarHBondContact OE1-NE 2.9Å; E122-R397 IonicContact OE1-NH2 3.92Å; E122-R397 PolarHBondContact OE1-NH2 3.36Å; Q127-R397 CarbonylContact O-C 3.53Å; Q127-R397 VanDerWaalsContact O-CA 3.26Å; Q127-R397 WeakPolarHBondContact O-CA 3.28Å; R397-L416 HydrophobicContact CB-CB 4.34Å; R397-L416 PolarHBondContact N-O 3.02Å; R397-L416 PolarHBondContact O-N 3.29Å; R397-I418 HydrophobicContact CG-CD1 4.05Å; R397-I458 PolarHBondContact NH2-O 3.15Å
398	T	95.9	Very high	94.7	Very high	25 Å²	25	35.3 Å²	35.3	15%	0.153	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123.9	166.8	-54.9	0	0	0	0	108.1	Q127 D400	Q127-T398 PolarHBondContact O-N 2.97Å; T398-D400 PolarHBondContact O-N 3.45Å
399	L	95.3	Very high	94.7	Very high	11 Å²	11	35.6 Å²	35.6	6%	0.058	21%	0.207	C	C	.	.			trans	-67.5	129.3	179.9	-72.2	-179.8	0	0	0	111.2	L118 I410 G413 T414 L416	L118-L399 HydrophobicContact CD1-CD2 3.94Å; L399-I410 HydrophobicContact CD1-CB 3.85Å; L399-I410 HydrophobicContact CD1-CG2 3.47Å; L399-I410 VanDerWaalsContact CD1-CG2 3.47Å; L399-G413 PolarHBondContact O-N 3.34Å; L399-T414 PolarHBondContact N-O 3.18Å; L399-L416 HydrophobicContact CD1-CD1 4.21Å; L399-L416 HydrophobicContact CD1-CD2 4.4Å; L399-L416 HydrophobicContact CD1-CG 4.41Å; L399-L416 HydrophobicContact CD2-CD1 3.7Å; L399-L416 HydrophobicContact CD2-CG 4.45Å; L399-L416 HydrophobicContact CG-CD1 3.87Å; L399-L416 HydrophobicContact CG-CG 4.1Å
400	D	94.3	Very high	94.8	Very high	68 Å²	68	34.9 Å²	34.9	36%	0.364	20%	0.202	S	C	.	.	S	Bend	trans	-90.7	-10.1	177.9	68.5	-30	0	0	0	113.2	S123 T398 K412	S123-D400 WeakPolarHBondContact CB-OD2 3.49Å; S123-D400 PolarHBondContact OG-OD2 3.03Å; T398-D400 PolarHBondContact O-N 3.45Å; D400-K412 WeakPolarHBondContact O-CD 3.35Å; D400-K412 WeakPolarHBondContact O-CE 3.44Å; D400-K412 WeakPolarHBondContact O-CG 3.4Å
401	K	94.4	Very high	94.9	Very high	97 Å²	97	37.5 Å²	37.5	42%	0.422	22%	0.218	S	C	.	.	S	Bend	trans	-151.7	158.6	177.9	65.8	-168.5	174.6	-167.3	0	110.8	K121 T403	K121-K401 WeakPolarHBondContact O-CE 3.36Å; K121-K401 PolarHBondContact O-NZ 2.95Å; K401-T403 PolarHBondContact O-N 2.98Å; K401-T403 PolarHBondContact O-OG1 3.12Å; K401-T403 VanDerWaalsContact O-OG1 3.06Å
402	D	95.3	Very high	94.9	Very high	122 Å²	122	43.7 Å²	43.7	65%	0.652	24%	0.244	S	C	*	.			trans	-57.9	131.1	172.2	-63.5	-5.3	0	0	0	109.8	I410 P411 K412	D402-I410 WeakPolarHBondContact CA-O 3.12Å; D402-P411 WeakPolarHBondContact OD1-CA 2.87Å; D402-K412 WeakPolarHBondContact OD1-CB 3.05Å; D402-K412 PolarHBondContact OD1-N 3.05Å
403	T	94.2	Very high	94.9	Very high	10 Å²	10	43.1 Å²	43.1	6%	0.061	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	133.9	-172.2	-60.4	0	0	0	0	110.4	K121 K401 L405 I410	K121-T403 HydrophobicContact CD-CG2 4.4Å; K401-T403 PolarHBondContact O-N 2.98Å; K401-T403 PolarHBondContact O-OG1 3.12Å; K401-T403 VanDerWaalsContact O-OG1 3.06Å; T403-L405 HydrophobicContact CG2-CD2 4.06Å; T403-L405 HydrophobicContact CG2-CG 4.07Å; T403-I410 PolarHBondContact N-O 3.33Å; T403-I410 WeakPolarHBondContact O-CB 3.28Å; T403-I410 PolarHBondContact O-N 3.47Å
404	V	94.8	Very high	95	Very high	68 Å²	68	43.9 Å²	43.9	41%	0.412	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	120.2	169	-178.7	0	0	0	0	109.4	A52 Y408	A52-V404 HydrophobicContact CB-CG1 4.29Å; A52-V404 HydrophobicContact CB-CG2 4.29Å; V404-Y408 VanDerWaalsContact CA-O 3.31Å; V404-Y408 WeakPolarHBondContact CA-O 3.39Å
405	L	93.6	Very high	95.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120	172.8	-67.5	-176	0	0	0	109.7	I109 A117 L118 T403 D407 Y408 I410 L416	I109-L405 HydrophobicContact CD1-CD1 3.75Å; A117-L405 HydrophobicContact CB-CD2 4.11Å; L118-L405 HydrophobicContact CB-CD1 4.42Å; L118-L405 HydrophobicContact CB-CD2 4.02Å; L118-L405 HydrophobicContact CD1-CD1 4.37Å; T403-L405 HydrophobicContact CG2-CD2 4.06Å; T403-L405 HydrophobicContact CG2-CG 4.07Å; L405-D407 PolarHBondContact O-N 2.85Å; L405-Y408 PolarHBondContact N-O 3.49Å; L405-Y408 PolarHBondContact O-N 2.93Å; L405-I410 HydrophobicContact CB-CD1 3.92Å; L405-I410 HydrophobicContact CD1-CD1 3.88Å; L405-I410 HydrophobicContact CG-CD1 4.13Å; L405-L416 HydrophobicContact CD1-CD1 3.81Å
406	G	91.6	Very high	95.2	Very high	44 Å²	44	42.2 Å²	42.2	45%	0.454	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	-128	-167.9	0	0	0	0	0	109.9
407	D	93.2	Very high	95.3	Very high	75 Å²	75	42.3 Å²	42.3	40%	0.401	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	9.3	-179.5	-54.8	-42.8	0	0	0	113.5	A52 R53 L405	A52-D407 CarbonylContact C-O 3.57Å; A52-D407 WeakPolarHBondContact CA-O 3.49Å; R53-D407 PolarHBondContact N-O 2.99Å; L405-D407 PolarHBondContact O-N 2.85Å
408	Y	96.3	Very high	95.3	Very high	27 Å²	27	42 Å²	42	11%	0.106	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.9	-170.8	-56	-81	0	0	0	112.4	R53 A57 I58 P59 I96 V404 L405	R53-Y408 HydrophobicContact CB-CD1 3.92Å; R53-Y408 HydrophobicContact CB-CE1 4.2Å; R53-Y408 CarbonylContact O-C 3.6Å; R53-Y408 WeakPolarHBondContact O-CA 3.41Å; A57-Y408 HydrophobicContact CB-CE1 4.26Å; A57-Y408 WeakPolarHBondContact O-CE1 3.24Å; I58-Y408 HydrophobicContact CB-CD1 4.4Å; I58-Y408 HydrophobicContact CB-CE1 4.37Å; I58-Y408 HydrophobicContact CD1-CD1 4.38Å; I58-Y408 HydrophobicContact CD1-CG 4.15Å; I58-Y408 HydrophobicContact CG1-CD1 3.39Å; I58-Y408 HydrophobicContact CG1-CD2 4.19Å; I58-Y408 HydrophobicContact CG1-CE1 3.82Å; I58-Y408 HydrophobicContact CG1-CG 3.59Å; P59-Y408 WeakPolarHBondContact CD-OH 3.21Å; I96-Y408 HydrophobicContact CD1-CD2 4.34Å; I96-Y408 HydrophobicContact CG2-CD2 3.96Å; I96-Y408 HydrophobicContact CG2-CE2 3.63Å; V404-Y408 VanDerWaalsContact CA-O 3.31Å; V404-Y408 WeakPolarHBondContact CA-O 3.39Å; L405-Y408 PolarHBondContact N-O 3.49Å; L405-Y408 PolarHBondContact O-N 2.93Å
409	A	95.9	Very high	95.3	Very high	38 Å²	38	41 Å²	41	31%	0.314	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	114	168.1	0	0	0	0	0	109.3	A52 R53	A52-A409 HydrophobicContact CB-CB 3.87Å; R53-A409 PolarHBondContact O-N 3.42Å
410	I	96.4	Very high	95.2	Very high	2 Å²	2	41 Å²	41	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.8	-176.5	-51.7	-178.4	0	0	0	108.9	L55 I58 I96 V107 L399 D402 T403 L405 T414 L416	L55-I410 HydrophobicContact CD1-CG2 4.2Å; I58-I410 HydrophobicContact CD1-CG1 4.49Å; I96-I410 HydrophobicContact CD1-CD1 4.21Å; V107-I410 HydrophobicContact CG1-CD1 4.32Å; L399-I410 HydrophobicContact CD1-CB 3.85Å; L399-I410 HydrophobicContact CD1-CG2 3.47Å; L399-I410 VanDerWaalsContact CD1-CG2 3.47Å; D402-I410 WeakPolarHBondContact CA-O 3.12Å; T403-I410 PolarHBondContact N-O 3.33Å; T403-I410 WeakPolarHBondContact O-CB 3.28Å; T403-I410 PolarHBondContact O-N 3.47Å; L405-I410 HydrophobicContact CB-CD1 3.92Å; L405-I410 HydrophobicContact CD1-CD1 3.88Å; L405-I410 HydrophobicContact CG-CD1 4.13Å; I410-T414 HydrophobicContact CG2-CG2 3.61Å; I410-L416 HydrophobicContact CD1-CD2 4.19Å; I410-L416 HydrophobicContact CG2-CD2 4.34Å
411	P	96.2	Very high	95.2	Very high	57 Å²	57	38.9 Å²	38.9	37%	0.37	23%	0.228	S	C	.	.			trans	-65.2	153.4	-179.4	-21.9	33	0	0	0	113.5	D402 T414	D402-P411 WeakPolarHBondContact OD1-CA 2.87Å; P411-T414 WeakPolarHBondContact O-CB 3.33Å; P411-T414 PolarHBondContact O-N 3Å; P411-T414 PolarHBondContact O-OG1 2.69Å
412	K	95.9	Very high	95.2	Very high	140 Å²	140	34.7 Å²	34.7	61%	0.609	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.6	142.2	164.6	177	177.9	179.2	177.3	0	111.1	D400 D402 T414	D400-K412 WeakPolarHBondContact O-CD 3.35Å; D400-K412 WeakPolarHBondContact O-CE 3.44Å; D400-K412 WeakPolarHBondContact O-CG 3.4Å; D402-K412 WeakPolarHBondContact OD1-CB 3.05Å; D402-K412 PolarHBondContact OD1-N 3.05Å; K412-T414 VanDerWaalsContact C-N 3.27Å; K412-T414 PolarHBondContact O-N 3.49Å
413	G	94.8	Very high	95.1	Very high	46 Å²	46	28.9 Å²	28.9	47%	0.474	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	-11.8	-179.5	0	0	0	0	0	113.9	L399 V415	L399-G413 PolarHBondContact O-N 3.34Å; G413-V415 PolarHBondContact O-N 3.47Å
414	T	96.3	Very high	95	Very high	19 Å²	19	28.6 Å²	28.6	12%	0.117	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-63.8	132.1	175.4	-53.7	0	0	0	0	110.7	L55 V107 L399 I410 P411 K412 L416	L55-T414 HydrophobicContact CD1-CG2 4.38Å; V107-T414 HydrophobicContact CB-CG2 4.4Å; V107-T414 HydrophobicContact CG2-CG2 3.79Å; L399-T414 PolarHBondContact N-O 3.18Å; I410-T414 HydrophobicContact CG2-CG2 3.61Å; P411-T414 WeakPolarHBondContact O-CB 3.33Å; P411-T414 PolarHBondContact O-N 3Å; P411-T414 PolarHBondContact O-OG1 2.69Å; K412-T414 VanDerWaalsContact C-N 3.27Å; K412-T414 PolarHBondContact O-N 3.49Å; T414-L416 HydrophobicContact CG2-CD2 4.3Å
415	V	96.6	Very high	94.8	Very high	18 Å²	18	27.2 Å²	27.2	11%	0.109	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	116	174.2	-177.4	0	0	0	0	109.3	F104 S106 V107 L129 G413 M417	F104-V415 HydrophobicContact CE2-CB 4.47Å; F104-V415 HydrophobicContact CE2-CG1 4.35Å; F104-V415 HydrophobicContact CE2-CG2 4.34Å; F104-V415 HydrophobicContact CZ-CB 4.41Å; F104-V415 HydrophobicContact CZ-CG1 4Å; S106-V415 CarbonylContact C-O 3.48Å; S106-V415 VanDerWaalsContact CA-O 3.24Å; S106-V415 WeakPolarHBondContact CA-O 3.45Å; S106-V415 WeakPolarHBondContact CB-O 3.32Å; V107-V415 PolarHBondContact N-O 2.9Å; L129-V415 HydrophobicContact CD1-CG2 4.36Å; G413-V415 PolarHBondContact O-N 3.47Å; V415-M417 HydrophobicContact CG1-SD 4.14Å
416	L	97.2	Very high	94.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.6	171.9	-53.2	-177.6	0	0	0	109.7	V107 I109 L118 S396 R397 L399 L405 I410 T414	V107-L416 HydrophobicContact CB-CD2 3.78Å; V107-L416 HydrophobicContact CG1-CD2 4.13Å; V107-L416 CarbonylContact O-C 3.58Å; V107-L416 VanDerWaalsContact O-CA 3.22Å; V107-L416 WeakPolarHBondContact O-CA 3.42Å; I109-L416 HydrophobicContact CD1-CB 4.25Å; I109-L416 HydrophobicContact CD1-CD1 4Å; I109-L416 HydrophobicContact CD1-CD2 4.49Å; I109-L416 HydrophobicContact CD1-CG 4.49Å; L118-L416 HydrophobicContact CD1-CD1 3.61Å; L118-L416 HydrophobicContact CD2-CD1 3.88Å; L118-L416 HydrophobicContact CG-CD1 4.38Å; S396-L416 CarbonylContact C-O 3.57Å; S396-L416 WeakPolarHBondContact CA-O 3.47Å; R397-L416 HydrophobicContact CB-CB 4.34Å; R397-L416 PolarHBondContact N-O 3.02Å; R397-L416 PolarHBondContact O-N 3.29Å; L399-L416 HydrophobicContact CD1-CD1 4.21Å; L399-L416 HydrophobicContact CD1-CD2 4.4Å; L399-L416 HydrophobicContact CD1-CG 4.41Å; L399-L416 HydrophobicContact CD2-CD1 3.7Å; L399-L416 HydrophobicContact CD2-CG 4.45Å; L399-L416 HydrophobicContact CG-CD1 3.87Å; L399-L416 HydrophobicContact CG-CG 4.1Å; L405-L416 HydrophobicContact CD1-CD1 3.81Å; I410-L416 HydrophobicContact CD1-CD2 4.19Å; I410-L416 HydrophobicContact CG2-CD2 4.34Å; T414-L416 HydrophobicContact CG2-CD2 4.3Å
417	M	97.1	Very high	94.6	Very high	14 Å²	14	32.8 Å²	32.8	7%	0.069	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120.1	172.7	-62.4	-59.4	-67.5	0	0	108.9	V107 H108 I109 F394 T395 V415	V107-M417 PolarHBondContact O-N 3.36Å; H108-M417 CarbonylContact C-O 3.45Å; H108-M417 WeakPolarHBondContact CA-O 3.42Å; H108-M417 WeakPolarHBondContact ND1-CB 3.14Å; I109-M417 PolarHBondContact N-O 2.91Å; F394-M417 HydrophobicContact CD2-CE 3.25Å; F394-M417 HydrophobicContact CE2-CE 3.53Å; F394-M417 HydrophobicContact CG-CE 3.99Å; F394-M417 HydrophobicContact CZ-CE 4.43Å; T395-M417 CarbonylContact O-C 3.52Å; V415-M417 HydrophobicContact CG1-SD 4.14Å
418	I	96.4	Very high	94.5	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	107.4	179.1	-63.3	161.4	0	0	0	107.3	L115 L118 Y119 F394 T395 R397 C420 L423 V454	L115-I418 HydrophobicContact CD1-CG2 4.12Å; L115-I418 HydrophobicContact CD2-CB 4.22Å; L115-I418 HydrophobicContact CD2-CD1 4.19Å; L115-I418 HydrophobicContact CD2-CG1 3.73Å; L115-I418 HydrophobicContact CD2-CG2 3.59Å; L118-I418 HydrophobicContact CD2-CD1 4.27Å; Y119-I418 HydrophobicContact CE2-CD1 4.15Å; Y119-I418 WeakPolarHBondContact OH-CD1 3.42Å; F394-I418 CarbonylContact C-O 3.42Å; F394-I418 WeakPolarHBondContact CA-O 3.48Å; F394-I418 WeakPolarHBondContact CB-O 3.48Å; T395-I418 HydrophobicContact CG2-CB 3.8Å; T395-I418 HydrophobicContact CG2-CD1 3.9Å; T395-I418 HydrophobicContact CG2-CG1 4.42Å; T395-I418 HydrophobicContact CG2-CG2 4.19Å; T395-I418 PolarHBondContact N-O 2.97Å; T395-I418 PolarHBondContact O-N 3.45Å; R397-I418 HydrophobicContact CG-CD1 4.05Å; I418-C420 PolarHBondContact O-N 3.05Å; I418-C420 VanDerWaalsContact O-N 3.11Å; I418-L423 HydrophobicContact CG2-CD1 4.47Å; I418-V454 HydrophobicContact CG2-CG2 4.47Å
419	N	96.2	Very high	94.3	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.011	20%	0.201	C	C	.	.			trans	-87.5	80.5	-171.7	-67.8	-17.7	0	0	0	110.8	H90 H108 I109 H421 A422 L423	H90-N419 PolarHBondContact CD2-ND2 3.05Å; H90-N419 PolarHBondContact NE2-ND2 3.02Å; H108-N419 WeakPolarHBondContact CB-ND2 3.35Å; H108-N419 PolarHBondContact ND1-ND2 3.38Å; H108-N419 PolarHBondContact ND1-OD1 3.45Å; I109-N419 PolarHBondContact O-N 3.3Å; N419-H421 VanDerWaalsContact C-N 3.31Å; N419-H421 PolarHBondContact O-N 2.86Å; N419-A422 HydrophobicContact CB-CB 3.91Å; N419-A422 PolarHBondContact O-N 3.19Å; N419-A422 VanDerWaalsContact O-N 3.16Å; N419-L423 PolarHBondContact O-N 3.13Å
420	C	93.4	Very high	94.1	Very high	13 Å²	13	34 Å²	34	9%	0.088	19%	0.187	C	C	.	.	H	α-helix	trans	-55.3	-42.4	-177.6	-55.7	0	0	0	0	113	P393 I418 L423 G424 V454	P393-C420 PolarHBondContact O-N 3.49Å; I418-C420 PolarHBondContact O-N 3.05Å; I418-C420 VanDerWaalsContact O-N 3.11Å; C420-L423 PolarHBondContact O-N 2.98Å; C420-G424 PolarHBondContact O-N 3.14Å; C420-V454 HydrophobicContact CB-CG2 4.41Å
421	H	94.4	Very high	93.8	Very high	22 Å²	22	40.4 Å²	40.4	10%	0.102	22%	0.221	C	C	.	.	H	α-helix	trans	-66	-41.6	178.6	-174.5	-161.6	0	0	0	111.9	H83 P390 P393 N419 L423 G424 S425	H83-H421 AromaticContact CD2-CE1 3.71Å; H83-H421 AromaticContact CD2-ND1 3.67Å; P390-H421 HydrophobicContact CG-CB 3.79Å; P393-H421 HydrophobicContact CB-CB 4.44Å; P393-H421 PolarHBondContact O-N 3.36Å; N419-H421 VanDerWaalsContact C-N 3.31Å; N419-H421 PolarHBondContact O-N 2.86Å; H421-L423 VanDerWaalsContact C-N 3.34Å; H421-L423 PolarHBondContact O-N 3.47Å; H421-G424 PolarHBondContact O-N 2.95Å; H421-S425 PolarHBondContact CD2-OG 2.94Å; H421-S425 PolarHBondContact NE2-OG 3.47Å; H421-S425 WeakPolarHBondContact O-CB 3.45Å; H421-S425 PolarHBondContact O-N 3.49Å; H421-S425 PolarHBondContact O-OG 3.28Å
422	A	93.9	Very high	93.6	Very high	10 Å²	10	41.9 Å²	41.9	8%	0.083	23%	0.225	C	C	.	.	H	α-helix	trans	-65.3	-37	177.4	0	0	0	0	0	112.8	I87 N419 S426	I87-A422 HydrophobicContact CG1-CB 3.97Å; N419-A422 HydrophobicContact CB-CB 3.91Å; N419-A422 PolarHBondContact O-N 3.19Å; N419-A422 VanDerWaalsContact O-N 3.16Å; A422-S426 PolarHBondContact O-N 3.15Å
423	L	93.5	Very high	93.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.3	-49.8	172.6	-76.1	157.2	0	0	0	111.5	G110 P112 L115 I418 N419 C420 H421 S425 S426 Y429 F430 V454	G110-L423 WeakPolarHBondContact O-CD2 3.31Å; P112-L423 HydrophobicContact CG-CD2 4.23Å; L115-L423 HydrophobicContact CD1-CD1 3.41Å; L115-L423 VanDerWaalsContact CD1-CD1 3.41Å; L115-L423 HydrophobicContact CD1-CD2 4.38Å; L115-L423 HydrophobicContact CG-CD1 4.48Å; I418-L423 HydrophobicContact CG2-CD1 4.47Å; N419-L423 PolarHBondContact O-N 3.13Å; C420-L423 PolarHBondContact O-N 2.98Å; H421-L423 VanDerWaalsContact C-N 3.34Å; H421-L423 PolarHBondContact O-N 3.47Å; L423-S425 VanDerWaalsContact C-N 3.26Å; L423-S425 PolarHBondContact O-N 3.41Å; L423-S426 WeakPolarHBondContact O-CB 3.15Å; L423-S426 PolarHBondContact O-N 2.91Å; L423-Y429 HydrophobicContact CD2-CE2 4.39Å; L423-F430 WeakPolarHBondContact O-CE2 3.47Å; L423-V454 HydrophobicContact CD1-CG2 4.01Å
424	G	92.1	Very high	93.1	Very high	3 Å²	3	41.7 Å²	41.7	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-63.4	-29.5	-179	0	0	0	0	0	114	R387 C420 H421 F430	R387-G424 WeakPolarHBondContact CG-O 3.31Å; R387-G424 PolarHBondContact NH1-O 3.32Å; C420-G424 PolarHBondContact O-N 3.14Å; H421-G424 PolarHBondContact O-N 2.95Å; G424-F430 WeakPolarHBondContact O-CD2 3.25Å
425	S	90.1	Very high	93	Very high	40 Å²	40	45.3 Å²	45.3	28%	0.28	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	2.4	-178.6	-60.2	0	0	0	0	114.1	H421 L423 E427	H421-S425 PolarHBondContact CD2-OG 2.94Å; H421-S425 PolarHBondContact NE2-OG 3.47Å; H421-S425 WeakPolarHBondContact O-CB 3.45Å; H421-S425 PolarHBondContact O-N 3.49Å; H421-S425 PolarHBondContact O-OG 3.28Å; L423-S425 VanDerWaalsContact C-N 3.26Å; L423-S425 PolarHBondContact O-N 3.41Å; S425-E427 PolarHBondContact O-N 2.89Å
426	S	91.5	Very high	93	Very high	28 Å²	28	45.1 Å²	45.1	20%	0.196	23%	0.226	C	C	.	.			trans	-77.7	119.4	-178.6	-177.2	0	0	0	0	111.8	A422 L423 E428 Y429 F430	A422-S426 PolarHBondContact O-N 3.15Å; L423-S426 WeakPolarHBondContact O-CB 3.15Å; L423-S426 PolarHBondContact O-N 2.91Å; S426-E428 PolarHBondContact O-N 3.35Å; S426-E428 WeakPolarHBondContact OG-CB 3.24Å; S426-E428 PolarHBondContact OG-N 3Å; S426-Y429 VanDerWaalsContact CB-CD2 3.49Å; S426-Y429 PolarHBondContact O-N 3.09Å; S426-Y429 VanDerWaalsContact O-N 3.09Å; S426-Y429 WeakPolarHBondContact OG-CD2 3.5Å; S426-F430 PolarHBondContact O-N 2.91Å
427	E	90.1	Very high	92.9	Very high	132 Å²	132	48.1 Å²	48.1	62%	0.617	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-14.9	172.7	-66.6	176.9	-177	0	0	112.4	S425 Y429	S425-E427 PolarHBondContact O-N 2.89Å; E427-Y429 PolarHBondContact O-N 3.26Å
428	E	90.9	Very high	92.9	Very high	116 Å²	116	47.5 Å²	47.5	54%	0.542	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-28.2	170.2	-169.6	-171.7	170.5	0	0	111.6	K95 S426	K95-E428 WeakPolarHBondContact CE-OE1 3.42Å; K95-E428 WeakPolarHBondContact CE-OE2 3.46Å; K95-E428 IonicContact NZ-OE1 2.71Å; K95-E428 PolarHBondContact NZ-OE1 2.85Å; K95-E428 IonicContact NZ-OE2 3.44Å; S426-E428 PolarHBondContact O-N 3.35Å; S426-E428 WeakPolarHBondContact OG-CB 3.24Å; S426-E428 PolarHBondContact OG-N 3Å
429	Y	90.8	Very high	92.9	Very high	48 Å²	48	50.9 Å²	50.9	19%	0.188	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-15.3	-173.1	-50.1	-46.8	0	0	0	113.5	P112 L423 S426 E427 A452	P112-Y429 HydrophobicContact CG-CD1 3.98Å; P112-Y429 HydrophobicContact CG-CD2 3.94Å; P112-Y429 HydrophobicContact CG-CE1 3.93Å; P112-Y429 HydrophobicContact CG-CE2 3.91Å; P112-Y429 HydrophobicContact CG-CG 4.02Å; L423-Y429 HydrophobicContact CD2-CE2 4.39Å; S426-Y429 VanDerWaalsContact CB-CD2 3.49Å; S426-Y429 PolarHBondContact O-N 3.09Å; S426-Y429 VanDerWaalsContact O-N 3.09Å; S426-Y429 WeakPolarHBondContact OG-CD2 3.5Å; E427-Y429 PolarHBondContact O-N 3.26Å; Y429-A452 HydrophobicContact CG-CB 4.42Å
430	F	93	Very high	92.8	Very high	3 Å²	3	52.2 Å²	52.2	1%	0.013	26%	0.257	C	S	.	.	S	Bend	trans	-140.8	102.8	-176.1	-61.1	-78.2	0	0	0	110.8	R387 L423 G424 S426 G433 W441 I448 A452	R387-F430 VanDerWaalsContact CD-CE1 3.41Å; R387-F430 HydrophobicContact CG-CE1 4.23Å; R387-F430 HydrophobicContact CG-CE2 4.31Å; R387-F430 HydrophobicContact CG-CZ 4.13Å; L423-F430 WeakPolarHBondContact O-CE2 3.47Å; G424-F430 WeakPolarHBondContact O-CD2 3.25Å; S426-F430 PolarHBondContact O-N 2.91Å; F430-G433 WeakPolarHBondContact O-CA 3.28Å; F430-G433 PolarHBondContact O-N 2.89Å; F430-G433 VanDerWaalsContact O-N 3.12Å; F430-W441 AromaticContact CE1-CH2 3.68Å; F430-W441 HydrophobicContact CE1-CH2 3.68Å; F430-W441 HydrophobicContact CE1-CZ2 4.04Å; F430-W441 HydrophobicContact CZ-CH2 4.19Å; F430-I448 HydrophobicContact CD1-CD1 4.33Å; F430-I448 HydrophobicContact CE1-CD1 4.09Å; F430-I448 HydrophobicContact CE1-CG1 4.41Å; F430-I448 HydrophobicContact CE1-CG2 3.65Å; F430-I448 HydrophobicContact CZ-CG2 4.09Å; F430-A452 HydrophobicContact CE2-CB 3.95Å; F430-A452 HydrophobicContact CZ-CB 3.8Å
431	D	90.2	Very high	92.9	Very high	136 Å²	136	52.8 Å²	52.8	73%	0.727	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	139.3	171.5	-61	-33.6	0	0	0	110.4	G433 R440	D431-G433 PolarHBondContact O-N 2.72Å; D431-R440 PolarHBondContact O-NH1 3.22Å
432	D	90.1	Very high	92.8	Very high	88 Å²	88	53.2 Å²	53.2	47%	0.471	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	48.7	-171.6	-63.8	-47.1	0	0	0	112	K434 Q435 K437 R440	D432-K434 PolarHBondContact O-N 3.03Å; D432-Q435 HydrophobicContact CB-CB 4.28Å; D432-Q435 HydrophobicContact CB-CG 4.12Å; D432-Q435 PolarHBondContact O-N 2.84Å; D432-K437 HydrophobicContact CB-CD 4.47Å; D432-K437 IonicContact OD2-NZ 3.22Å; D432-K437 PolarHBondContact OD2-NZ 2.67Å; D432-R440 PolarHBondContact O-NH2 2.84Å
433	G	88.9	Confident	92	Very high	4 Å²	4	64.8 Å²	64.8	4%	0.041	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-17	-171	0	0	0	0	0	115	R387 L388 F430 D431	R387-G433 PolarHBondContact NH1-O 2.91Å; R387-G433 PolarHBondContact NH2-O 2.89Å; L388-G433 WeakPolarHBondContact CD2-O 3.46Å; F430-G433 WeakPolarHBondContact O-CA 3.28Å; F430-G433 PolarHBondContact O-N 2.89Å; F430-G433 VanDerWaalsContact O-N 3.12Å; D431-G433 PolarHBondContact O-N 2.72Å
434	K	91.4	Very high	90.9	Very high	177 Å²	177	74.3 Å²	74.3	77%	0.77	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-14.1	175.6	-60.7	-178.7	-173.4	174.4	0	114.1	D432	D432-K434 PolarHBondContact O-N 3.03Å
435	Q	94.3	Very high	89.6	Confident	96 Å²	96	76.9 Å²	76.9	45%	0.449	36%	0.363	S	S	.	.	S	Bend	trans	-89.7	141.2	-178	-61.3	-174.1	36.5	0	0	110.9	R387 D432 K437 R440	R387-Q435 PolarHBondContact NH2-O 3.06Å; D432-Q435 HydrophobicContact CB-CB 4.28Å; D432-Q435 HydrophobicContact CB-CG 4.12Å; D432-Q435 PolarHBondContact O-N 2.84Å; Q435-K437 HydrophobicContact CB-CD 4.32Å; Q435-K437 HydrophobicContact CB-CG 4.01Å; Q435-K437 PolarHBondContact O-N 3.06Å; Q435-R440 PolarHBondContact O-NH2 2.72Å
436	F	97.1	Very high	88.7	Confident	14 Å²	14	77.3 Å²	77.3	6%	0.061	37%	0.367	C	S	.	.			trans	-78.9	98.5	171.3	-177	-96	0	0	0	109.3	N342 L343 N346 A349 C381 E384 L388 P438	N342-F436 HydrophobicContact CB-CD2 3.58Å; N342-F436 HydrophobicContact CB-CE2 3.59Å; N342-F436 HydrophobicContact CB-CG 4.22Å; N342-F436 HydrophobicContact CB-CZ 4.21Å; L343-F436 HydrophobicContact CD2-CE1 3.99Å; L343-F436 HydrophobicContact CD2-CZ 4.18Å; N346-F436 HydrophobicContact CB-CD1 4Å; N346-F436 WeakPolarHBondContact ND2-CB 3.34Å; A349-F436 HydrophobicContact CB-CD1 4.25Å; A349-F436 HydrophobicContact CB-CE1 4Å; C381-F436 HydrophobicContact CB-CZ 4.15Å; E384-F436 HydrophobicContact CB-CD2 4.17Å; E384-F436 HydrophobicContact CB-CE2 3.88Å; E384-F436 HydrophobicContact CB-CZ 4.44Å; E384-F436 HydrophobicContact CG-CD2 3.56Å; E384-F436 HydrophobicContact CG-CE2 3.81Å; E384-F436 HydrophobicContact CG-CG 4.07Å; L388-F436 HydrophobicContact CD1-CB 3.78Å; L388-F436 HydrophobicContact CD1-CD2 3.86Å; L388-F436 HydrophobicContact CD1-CG 4.32Å; F436-P438 HydrophobicContact CD1-CG 3.92Å; F436-P438 HydrophobicContact CE1-CG 3.33Å; F436-P438 HydrophobicContact CZ-CG 3.73Å
437	K	95.9	Very high	88.3	Confident	63 Å²	63	82.7 Å²	82.7	27%	0.274	40%	0.398	S	S	.	.			trans	-124.6	87.1	179.3	-59.1	-176.2	177.2	-174	0	110.5	E384 D432 Q435 E439 R440	E384-K437 PolarHBondContact OE1-N 3.35Å; D432-K437 HydrophobicContact CB-CD 4.47Å; D432-K437 IonicContact OD2-NZ 3.22Å; D432-K437 PolarHBondContact OD2-NZ 2.67Å; Q435-K437 HydrophobicContact CB-CD 4.32Å; Q435-K437 HydrophobicContact CB-CG 4.01Å; Q435-K437 PolarHBondContact O-N 3.06Å; K437-E439 PolarHBondContact O-N 3.44Å; K437-R440 VanDerWaalsContact O-CG 3.24Å; K437-R440 WeakPolarHBondContact O-CG 3.44Å; K437-R440 PolarHBondContact O-N 3.48Å; K437-R440 PolarHBondContact O-NE 3.44Å; K437-R440 VanDerWaalsContact O-NE 3.16Å
438	P	97.1	Very high	88.2	Confident	1 Å²	1	77.9 Å²	77.9	1%	0.006	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-55.7	-30.7	175.9	-26.8	37	0	0	0	113	A349 Y377 A380 C381 F436 R440 W441	A349-P438 HydrophobicContact CB-CG 4.5Å; Y377-P438 HydrophobicContact CD2-CB 4.29Å; Y377-P438 HydrophobicContact CE2-CB 3.66Å; Y377-P438 HydrophobicContact CE2-CG 4.35Å; A380-P438 HydrophobicContact CB-CB 4Å; A380-P438 WeakPolarHBondContact CB-O 3.38Å; C381-P438 HydrophobicContact CB-CG 4.39Å; C381-P438 VanDerWaalsContact SG-CG 3.55Å; F436-P438 HydrophobicContact CD1-CG 3.92Å; F436-P438 HydrophobicContact CE1-CG 3.33Å; F436-P438 HydrophobicContact CZ-CG 3.73Å; P438-R440 PolarHBondContact O-N 3.28Å; P438-W441 PolarHBondContact O-N 3.44Å
439	E	95.4	Very high	88.2	Confident	72 Å²	72	75.3 Å²	75.3	34%	0.336	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-48.5	-33.5	179.9	-70.3	70.3	-154.6	0	0	113.3	R352 Y377 K437 W441 L442 S445	R352-E439 IonicContact CZ-OE1 3.69Å; R352-E439 VanDerWaalsContact NH1-CG 3.26Å; R352-E439 IonicContact NH1-OE1 2.91Å; R352-E439 PolarHBondContact NH1-OE1 2.71Å; Y377-E439 WeakPolarHBondContact CE2-OE1 3.31Å; Y377-E439 PolarHBondContact OH-OE1 2.73Å; K437-E439 PolarHBondContact O-N 3.44Å; E439-W441 PolarHBondContact O-N 3.47Å; E439-W441 VanDerWaalsContact O-N 3.09Å; E439-L442 PolarHBondContact O-N 2.76Å; E439-S445 PolarHBondContact O-OG 3.28Å
440	R	94.2	Very high	88.2	Confident	31 Å²	31	77.8 Å²	77.8	12%	0.117	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-62.2	-18.2	-178	77.9	-178.8	73.7	-141.8	10.1	113.9	E384 D431 D432 Q435 K437 P438 S446 I448	E384-R440 VanDerWaalsContact CD-NE 3.31Å; E384-R440 IonicContact OE1-CZ 2.96Å; E384-R440 IonicContact OE1-NE 3.89Å; E384-R440 PolarHBondContact OE1-NE 3.03Å; E384-R440 IonicContact OE1-NH2 3.96Å; E384-R440 PolarHBondContact OE1-NH2 3.35Å; E384-R440 VanDerWaalsContact OE2-CD 3.22Å; E384-R440 WeakPolarHBondContact OE2-CD 3.46Å; E384-R440 IonicContact OE2-CZ 3.93Å; E384-R440 IonicContact OE2-NE 2.63Å; E384-R440 PolarHBondContact OE2-NE 2.88Å; E384-R440 VanDerWaalsContact OE2-NE 3.15Å; D431-R440 PolarHBondContact O-NH1 3.22Å; D432-R440 PolarHBondContact O-NH2 2.84Å; Q435-R440 PolarHBondContact O-NH2 2.72Å; K437-R440 VanDerWaalsContact O-CG 3.24Å; K437-R440 WeakPolarHBondContact O-CG 3.44Å; K437-R440 PolarHBondContact O-N 3.48Å; K437-R440 PolarHBondContact O-NE 3.44Å; K437-R440 VanDerWaalsContact O-NE 3.16Å; P438-R440 PolarHBondContact O-N 3.28Å; R440-S446 WeakPolarHBondContact O-CB 3.05Å; R440-I448 HydrophobicContact CB-CD1 4.03Å; R440-I448 HydrophobicContact CG-CD1 3.72Å; R440-I448 VanDerWaalsContact O-CD1 3.3Å; R440-I448 WeakPolarHBondContact O-CD1 3.4Å
441	W	95.3	Very high	88.3	Confident	25 Å²	25	79.2 Å²	79.2	10%	0.095	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-97.6	-5.9	-177.6	-56.7	106.9	0	0	0	114	A380 K383 E384 R387 F430 P438 E439 I448 H453	A380-W441 HydrophobicContact CB-CB 3.85Å; K383-W441 HydrophobicContact CB-CD2 4Å; K383-W441 HydrophobicContact CB-CG 4.09Å; K383-W441 HydrophobicContact CB-CZ2 4.41Å; K383-W441 HydrophobicContact CD-CD2 4.38Å; K383-W441 HydrophobicContact CD-CE3 4.41Å; K383-W441 VanDerWaalsContact CE-CE3 3.4Å; E384-W441 PolarHBondContact OE2-NE1 2.86Å; R387-W441 HydrophobicContact CB-CZ2 4.13Å; R387-W441 HydrophobicContact CG-CZ2 4.37Å; F430-W441 AromaticContact CE1-CH2 3.68Å; F430-W441 HydrophobicContact CE1-CH2 3.68Å; F430-W441 HydrophobicContact CE1-CZ2 4.04Å; F430-W441 HydrophobicContact CZ-CH2 4.19Å; P438-W441 PolarHBondContact O-N 3.44Å; E439-W441 PolarHBondContact O-N 3.47Å; E439-W441 VanDerWaalsContact O-N 3.09Å; W441-I448 HydrophobicContact CD2-CD1 4.04Å; W441-I448 HydrophobicContact CE3-CD1 3.6Å; W441-I448 HydrophobicContact CH2-CD1 4.02Å; W441-I448 HydrophobicContact CH2-CG2 4.12Å; W441-I448 HydrophobicContact CZ2-CD1 4.39Å; W441-I448 HydrophobicContact CZ3-CB 4.2Å; W441-I448 HydrophobicContact CZ3-CD1 3.61Å; W441-I448 HydrophobicContact CZ3-CG2 3.73Å; W441-H453 HydrophobicContact CH2-CB 3.64Å; W441-H453 AromaticContact CH2-CG 3.54Å; W441-H453 AromaticContact CH2-ND1 3.71Å; W441-H453 AromaticContact CZ2-ND1 3.97Å; W441-H453 HydrophobicContact CZ3-CB 4.12Å
442	L	93.9	Very high	88.4	Confident	30 Å²	30	72.8 Å²	72.8	16%	0.157	36%	0.361	C	S	.	.	S	Bend	trans	-75.6	151.9	178.3	-59.5	178.4	0	0	0	110.3	P376 Y377 A380 E439 E444 S445 S446	P376-L442 HydrophobicContact CB-CD2 4.21Å; Y377-L442 HydrophobicContact CD2-CD1 4.24Å; A380-L442 HydrophobicContact CB-CD2 4.12Å; E439-L442 PolarHBondContact O-N 2.76Å; L442-E444 PolarHBondContact O-N 3.4Å; L442-S445 PolarHBondContact O-N 3.39Å; L442-S445 VanDerWaalsContact O-N 3.13Å; L442-S445 PolarHBondContact O-OG 3.33Å; L442-S446 WeakPolarHBondContact O-CB 3.32Å; L442-S446 PolarHBondContact O-N 3.37Å
443	R	75.4	Confident	88.6	Confident	253 Å²	253	70.2 Å²	70.2	96%	0.955	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-31.6	-172.5	-72.1	-176.8	-180	176.5	0.9	113.5	S445	R443-S445 PolarHBondContact O-N 2.88Å
444	E	71.3	Confident	88.9	Confident	200 Å²	200	70.4 Å²	70.4	94%	0.935	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-17.9	-177.7	-65	169.2	-171.7	0	0	112.9	L442	L442-E444 PolarHBondContact O-N 3.4Å
445	S	64.9	Low	89.1	Confident	57 Å²	57	63.4 Å²	63.4	40%	0.399	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-16.2	-172.9	56.6	0	0	0	0	114.2	E439 L442 R443 T447	E439-S445 PolarHBondContact O-OG 3.28Å; L442-S445 PolarHBondContact O-N 3.39Å; L442-S445 VanDerWaalsContact O-N 3.13Å; L442-S445 PolarHBondContact O-OG 3.33Å; R443-S445 PolarHBondContact O-N 2.88Å; S445-T447 PolarHBondContact O-N 3.29Å; S445-T447 VanDerWaalsContact O-N 3.15Å
446	S	71.6	Confident	89.2	Confident	50 Å²	50	60.4 Å²	60.4	35%	0.35	30%	0.304	S	S	.	.			trans	-84.2	95.5	-165.5	172.9	0	0	0	0	113.8	R440 L442 I448	R440-S446 WeakPolarHBondContact O-CB 3.05Å; L442-S446 WeakPolarHBondContact O-CB 3.32Å; L442-S446 PolarHBondContact O-N 3.37Å; S446-I448 VanDerWaalsContact C-N 3.34Å
447	T	81.6	Confident	89	Confident	141 Å²	141	60.2 Å²	60.2	87%	0.865	31%	0.306	S	S	*	.			trans	-93	7	163	55.5	0	0	0	0	112.8	S445 N449	S445-T447 PolarHBondContact O-N 3.29Å; S445-T447 VanDerWaalsContact O-N 3.15Å; T447-N449 PolarHBondContact O-N 2.93Å
448	I	89.7	Confident	88.8	Confident	30 Å²	30	59.1 Å²	59.1	15%	0.154	30%	0.303	C	S	.	.			trans	-66.4	126.3	-172.3	-60.4	169.2	0	0	0	110.7	F430 R440 W441 S446 A452	F430-I448 HydrophobicContact CD1-CD1 4.33Å; F430-I448 HydrophobicContact CE1-CD1 4.09Å; F430-I448 HydrophobicContact CE1-CG1 4.41Å; F430-I448 HydrophobicContact CE1-CG2 3.65Å; F430-I448 HydrophobicContact CZ-CG2 4.09Å; R440-I448 HydrophobicContact CB-CD1 4.03Å; R440-I448 HydrophobicContact CG-CD1 3.72Å; R440-I448 VanDerWaalsContact O-CD1 3.3Å; R440-I448 WeakPolarHBondContact O-CD1 3.4Å; W441-I448 HydrophobicContact CD2-CD1 4.04Å; W441-I448 HydrophobicContact CE3-CD1 3.6Å; W441-I448 HydrophobicContact CH2-CD1 4.02Å; W441-I448 HydrophobicContact CH2-CG2 4.12Å; W441-I448 HydrophobicContact CZ2-CD1 4.39Å; W441-I448 HydrophobicContact CZ3-CB 4.2Å; W441-I448 HydrophobicContact CZ3-CD1 3.61Å; W441-I448 HydrophobicContact CZ3-CG2 3.73Å; S446-I448 VanDerWaalsContact C-N 3.34Å; I448-A452 HydrophobicContact CG2-CB 4.46Å
449	N	90.8	Very high	88.5	Confident	63 Å²	63	60.3 Å²	60.3	34%	0.337	32%	0.315	S	S	.	.			trans	-62.4	127	174.9	-173.9	-43.4	0	0	0	110.6	P112 T447 F451 A452	P112-N449 HydrophobicContact CB-CB 4.39Å; T447-N449 PolarHBondContact O-N 2.93Å; N449-F451 PolarHBondContact O-N 3.48Å; N449-F451 VanDerWaalsContact O-N 3.12Å; N449-F451 WeakPolarHBondContact OD1-CB 3.48Å; N449-F451 WeakPolarHBondContact OD1-CD2 3.27Å; N449-F451 PolarHBondContact OD1-N 3.42Å; N449-A452 HydrophobicContact CB-CB 4.36Å; N449-A452 VanDerWaalsContact O-CB 3.25Å; N449-A452 WeakPolarHBondContact O-CB 3.17Å; N449-A452 PolarHBondContact O-N 3.26Å
450	P	90.8	Very high	88.4	Confident	99 Å²	99	61.2 Å²	61.2	64%	0.643	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-56.5	-28.5	178.6	-27.2	35.5	0	0	0	114.9	A452 H453	P450-A452 VanDerWaalsContact C-N 3.28Å; P450-A452 PolarHBondContact O-N 3.31Å; P450-H453 PolarHBondContact O-N 2.66Å
451	F	93.3	Very high	88.5	Confident	34 Å²	34	60 Å²	60	15%	0.149	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-79.2	-6.7	176.6	-63.6	-86.6	0	0	0	113.3	P112 L115 E116 Y119 N449 H453 I458	P112-F451 HydrophobicContact CB-CB 3.83Å; L115-F451 HydrophobicContact CB-CB 4.34Å; L115-F451 HydrophobicContact CB-CD1 4.11Å; L115-F451 WeakPolarHBondContact CD1-O 3.3Å; E116-F451 HydrophobicContact CB-CD1 4.21Å; E116-F451 HydrophobicContact CB-CD2 3.83Å; E116-F451 HydrophobicContact CB-CE1 4.13Å; E116-F451 HydrophobicContact CB-CE2 3.74Å; E116-F451 HydrophobicContact CB-CG 4.08Å; E116-F451 HydrophobicContact CB-CZ 3.9Å; E116-F451 HydrophobicContact CG-CD2 4.22Å; E116-F451 HydrophobicContact CG-CE2 3.66Å; E116-F451 HydrophobicContact CG-CZ 3.84Å; Y119-F451 HydrophobicContact CD2-CE1 4.34Å; N449-F451 PolarHBondContact O-N 3.48Å; N449-F451 VanDerWaalsContact O-N 3.12Å; N449-F451 WeakPolarHBondContact OD1-CB 3.48Å; N449-F451 WeakPolarHBondContact OD1-CD2 3.27Å; N449-F451 PolarHBondContact OD1-N 3.42Å; F451-H453 VanDerWaalsContact C-N 3.35Å; F451-I458 HydrophobicContact CD1-CD1 3.56Å; F451-I458 HydrophobicContact CE1-CD1 3.42Å; F451-I458 VanDerWaalsContact CE1-CD1 3.42Å; F451-I458 HydrophobicContact CE1-CG1 4.46Å; F451-I458 HydrophobicContact CG-CD1 4.42Å; F451-I458 HydrophobicContact CZ-CD1 4.19Å
452	A	93.7	Very high	88.6	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.008	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-81.8	-14.1	172	0	0	0	0	0	113	P112 Y429 F430 I448 N449 P450	P112-A452 HydrophobicContact CG-CB 3.76Å; Y429-A452 HydrophobicContact CG-CB 4.42Å; F430-A452 HydrophobicContact CE2-CB 3.95Å; F430-A452 HydrophobicContact CZ-CB 3.8Å; I448-A452 HydrophobicContact CG2-CB 4.46Å; N449-A452 HydrophobicContact CB-CB 4.36Å; N449-A452 VanDerWaalsContact O-CB 3.25Å; N449-A452 WeakPolarHBondContact O-CB 3.17Å; N449-A452 PolarHBondContact O-N 3.26Å; P450-A452 VanDerWaalsContact C-N 3.28Å; P450-A452 PolarHBondContact O-N 3.31Å
453	H	94.5	Very high	88.7	Confident	33 Å²	33	61.2 Å²	61.2	15%	0.153	32%	0.324	C	S	.	.			trans	-131.6	95.2	-177.8	-176.1	74	0	0	0	111.8	K383 W441 P450 F451 P455	K383-H453 PolarHBondContact O-CE1 2.79Å; W441-H453 HydrophobicContact CH2-CB 3.64Å; W441-H453 AromaticContact CH2-CG 3.54Å; W441-H453 AromaticContact CH2-ND1 3.71Å; W441-H453 AromaticContact CZ2-ND1 3.97Å; W441-H453 HydrophobicContact CZ3-CB 4.12Å; P450-H453 PolarHBondContact O-N 2.66Å; F451-H453 VanDerWaalsContact C-N 3.35Å; H453-P455 WeakPolarHBondContact NE2-CD 3.12Å; H453-P455 WeakPolarHBondContact NE2-CG 3.33Å
454	V	94.8	Very high	89.8	Confident	8 Å²	8	49.9 Å²	49.9	5%	0.048	28%	0.283	C	S	.	.			trans	-126.9	47.8	-172.9	-67.3	0	0	0	0	113.8	L115 I418 C420 L423 F456 G457 I458	L115-V454 HydrophobicContact CD1-CG2 4.29Å; I418-V454 HydrophobicContact CG2-CG2 4.47Å; C420-V454 HydrophobicContact CB-CG2 4.41Å; L423-V454 HydrophobicContact CD1-CG2 4.01Å; V454-F456 PolarHBondContact O-N 2.81Å; V454-G457 WeakPolarHBondContact O-CA 3.46Å; V454-G457 PolarHBondContact O-N 3.31Å; V454-I458 HydrophobicContact CG1-CB 4.19Å; V454-I458 HydrophobicContact CG1-CG2 4.18Å
455	P	95.2	Very high	90.9	Very high	30 Å²	30	41.3 Å²	41.3	20%	0.195	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.3	-177.5	28.7	-36.7	0	0	0	113.2	M386 H453	M386-P455 HydrophobicContact CB-CB 3.94Å; M386-P455 HydrophobicContact CB-CG 4.08Å; M386-P455 HydrophobicContact CG-CB 4.49Å; M386-P455 HydrophobicContact SD-CB 4.19Å; M386-P455 HydrophobicContact SD-CG 4.02Å; H453-P455 WeakPolarHBondContact NE2-CD 3.12Å; H453-P455 WeakPolarHBondContact NE2-CG 3.33Å
456	F	96.5	Very high	92.4	Very high	34 Å²	34	42.6 Å²	42.6	15%	0.149	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	8.1	175	-67.5	-75.5	0	0	0	113.3	M386 V454 M462 C463 R466 A469 E470	M386-F456 HydrophobicContact CE-CE2 4Å; M386-F456 HydrophobicContact CE-CZ 3.82Å; M386-F456 HydrophobicContact SD-CE2 3.6Å; M386-F456 VanDerWaalsContact SD-CE2 3.6Å; M386-F456 HydrophobicContact SD-CZ 3.96Å; V454-F456 PolarHBondContact O-N 2.81Å; F456-M462 HydrophobicContact CB-CE 4.43Å; F456-C463 HydrophobicContact CB-CB 3.89Å; F456-C463 HydrophobicContact CD1-CB 3.77Å; F456-C463 HydrophobicContact CG-CB 4.32Å; F456-C463 WeakPolarHBondContact O-CB 3.2Å; F456-C463 PolarHBondContact O-N 2.69Å; F456-R466 HydrophobicContact CB-CB 4.29Å; F456-R466 HydrophobicContact CB-CG 4.19Å; F456-R466 HydrophobicContact CD1-CB 3.88Å; F456-R466 HydrophobicContact CD1-CG 4Å; F456-R466 HydrophobicContact CD2-CG 3.75Å; F456-R466 HydrophobicContact CE1-CB 4.32Å; F456-R466 HydrophobicContact CE1-CG 4.31Å; F456-R466 HydrophobicContact CE2-CG 4.08Å; F456-R466 HydrophobicContact CG-CB 3.97Å; F456-R466 HydrophobicContact CG-CG 3.7Å; F456-R466 HydrophobicContact CZ-CG 4.34Å; F456-A469 HydrophobicContact CE1-CB 4.21Å; F456-A469 HydrophobicContact CZ-CB 4.48Å; F456-E470 HydrophobicContact CE2-CG 4.2Å; F456-E470 HydrophobicContact CZ-CG 4.29Å
457	G	93.8	Very high	93.5	Very high	10 Å²	10	44.9 Å²	44.9	10%	0.103	25%	0.245	C	C	.	.			trans	64.4	-173.9	-162.9	0	0	0	0	0	112.3	V454	V454-G457 WeakPolarHBondContact O-CA 3.46Å; V454-G457 PolarHBondContact O-N 3.31Å
458	I	90.1	Very high	94.1	Very high	39 Å²	39	38.5 Å²	38.5	20%	0.2	21%	0.205	C	C	.	.			trans	-142.7	167.9	-179.4	-169.6	166	0	0	0	110.1	Y119 R397 F451 V454	Y119-I458 HydrophobicContact CD1-CG2 3.88Å; Y119-I458 HydrophobicContact CD2-CG2 3.29Å; Y119-I458 HydrophobicContact CE1-CG2 3.55Å; Y119-I458 WeakPolarHBondContact CE1-O 3.32Å; Y119-I458 HydrophobicContact CE2-CB 4.43Å; Y119-I458 HydrophobicContact CE2-CG2 2.95Å; Y119-I458 HydrophobicContact CG-CG2 3.76Å; Y119-I458 WeakPolarHBondContact OH-CG2 3.31Å; Y119-I458 PolarHBondContact OH-O 3.25Å; R397-I458 PolarHBondContact NH2-O 3.15Å; F451-I458 HydrophobicContact CD1-CD1 3.56Å; F451-I458 HydrophobicContact CE1-CD1 3.42Å; F451-I458 VanDerWaalsContact CE1-CD1 3.42Å; F451-I458 HydrophobicContact CE1-CG1 4.46Å; F451-I458 HydrophobicContact CG-CD1 4.42Å; F451-I458 HydrophobicContact CZ-CD1 4.19Å; V454-I458 HydrophobicContact CG1-CB 4.19Å; V454-I458 HydrophobicContact CG1-CG2 4.18Å
459	G	92.8	Very high	94.4	Very high	26 Å²	26	37.6 Å²	37.6	27%	0.268	20%	0.202	S	C	.	.	S	Bend	trans	80.5	-170.4	-177.2	0	0	0	0	0	113.9	R461 M462	G459-R461 PolarHBondContact O-N 3.05Å; G459-M462 WeakPolarHBondContact O-CB 3.41Å; G459-M462 VanDerWaalsContact O-CG 3.25Å; G459-M462 WeakPolarHBondContact O-CG 3.35Å; G459-M462 PolarHBondContact O-N 2.84Å; G459-M462 VanDerWaalsContact O-N 3.11Å
460	K	93.4	Very high	94.6	Very high	91 Å²	91	36.1 Å²	36.1	40%	0.396	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.8	-171.9	-64.1	174.3	-178.9	167.2	0	112.7	E122 N124 P126 W155 R159	E122-K460 PolarHBondContact OE2-N 3.18Å; N124-K460 PolarHBondContact OD1-NZ 2.85Å; P126-K460 HydrophobicContact CG-CB 4.25Å; W155-K460 HydrophobicContact CH2-CB 4.03Å; R159-K460 PolarHBondContact NH2-O 3.38Å
461	R	95.8	Very high	94.8	Very high	7 Å²	7	31.9 Å²	31.9	3%	0.026	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	28.3	177.9	-158.1	160.9	-178.5	179	-5.4	113.3	P126 R128 L148 L150 E151 W155 G459	P126-R461 HydrophobicContact CB-CB 4.14Å; P126-R461 HydrophobicContact CG-CB 4.15Å; P126-R461 WeakPolarHBondContact O-CD 3.49Å; P126-R461 PolarHBondContact O-NH1 3.15Å; R128-R461 PolarHBondContact NH2-O 3.15Å; L148-R461 PolarHBondContact O-NH2 3.03Å; L150-R461 PolarHBondContact O-NH2 3.46Å; E151-R461 IonicContact OE1-CZ 3.05Å; E151-R461 IonicContact OE1-NH1 2.89Å; E151-R461 PolarHBondContact OE1-NH1 3.03Å; E151-R461 VanDerWaalsContact OE1-NH1 3.15Å; E151-R461 IonicContact OE1-NH2 2.77Å; E151-R461 PolarHBondContact OE1-NH2 3.21Å; E151-R461 IonicContact OE2-CZ 2.64Å; E151-R461 IonicContact OE2-NH1 3.23Å; E151-R461 PolarHBondContact OE2-NH1 2.81Å; E151-R461 IonicContact OE2-NH2 3.17Å; W155-R461 HydrophobicContact CH2-CB 3.97Å; W155-R461 HydrophobicContact CH2-CG 4.36Å; W155-R461 HydrophobicContact CZ2-CB 3.56Å; W155-R461 HydrophobicContact CZ2-CG 3.5Å; G459-R461 PolarHBondContact O-N 3.05Å
462	M	96.3	Very high	94.8	Very high	31 Å²	31	30.5 Å²	30.5	15%	0.153	16%	0.159	C	C	.	.	S	Bend	trans	-66.1	166.4	165.4	72.3	-179.5	-63	0	0	111.6	R159 M167 F456 G459 I464	R159-M462 PolarHBondContact NH1-O 3.39Å; R159-M462 PolarHBondContact NH2-O 3.26Å; M167-M462 HydrophobicContact CE-CE 4.44Å; M167-M462 HydrophobicContact CE-SD 4.25Å; F456-M462 HydrophobicContact CB-CE 4.43Å; G459-M462 WeakPolarHBondContact O-CB 3.41Å; G459-M462 VanDerWaalsContact O-CG 3.25Å; G459-M462 WeakPolarHBondContact O-CG 3.35Å; G459-M462 PolarHBondContact O-N 2.84Å; G459-M462 VanDerWaalsContact O-N 3.11Å; M462-I464 PolarHBondContact O-N 2.96Å
463	C	97.6	Very high	95	Very high	48 Å²	48	30.5 Å²	30.5	32%	0.324	16%	0.159	S	C	.	.			trans	-49.7	125.9	179.2	-176	0	0	0	0	111.4	F456 G465 R466	F456-C463 HydrophobicContact CB-CB 3.89Å; F456-C463 HydrophobicContact CD1-CB 3.77Å; F456-C463 HydrophobicContact CG-CB 4.32Å; F456-C463 WeakPolarHBondContact O-CB 3.2Å; F456-C463 PolarHBondContact O-N 2.69Å; C463-G465 PolarHBondContact SG-N 3.26Å; C463-G465 VanDerWaalsContact SG-N 3.42Å; C463-R466 HydrophobicContact CB-CB 4.38Å
464	I	96.6	Very high	95	Very high	16 Å²	16	30 Å²	30	8%	0.082	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-25.3	178.4	-158.8	168.8	0	0	0	112.4	L147 F162 L166 M167 L324 M462 R466	L147-I464 HydrophobicContact CD1-CD1 3.51Å; L147-I464 HydrophobicContact CD1-CG2 4.31Å; L147-I464 HydrophobicContact CD2-CD1 4.49Å; F162-I464 HydrophobicContact CB-CD1 3.41Å; F162-I464 VanDerWaalsContact CB-CD1 3.41Å; F162-I464 HydrophobicContact CG-CD1 4.47Å; L166-I464 HydrophobicContact CB-CG1 4.44Å; L166-I464 HydrophobicContact CD1-CG1 4.37Å; M167-I464 HydrophobicContact CG-CG1 4.42Å; M167-I464 WeakPolarHBondContact CG-O 3.29Å; L324-I464 HydrophobicContact CD2-CG2 3.38Å; M462-I464 PolarHBondContact O-N 2.96Å; I464-R466 VanDerWaalsContact C-N 3.32Å
465	G	95.9	Very high	95	Very high	19 Å²	19	29.7 Å²	29.7	20%	0.196	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	5.3	178.6	0	0	0	0	0	113.6	C463 R467 L468 A469	C463-G465 PolarHBondContact SG-N 3.26Å; C463-G465 VanDerWaalsContact SG-N 3.42Å; G465-R467 PolarHBondContact O-N 3.36Å; G465-L468 PolarHBondContact O-N 2.89Å; G465-A469 WeakPolarHBondContact O-CB 3.35Å; G465-A469 PolarHBondContact O-N 3.28Å
466	R	96.4	Very high	95	Very high	84 Å²	84	28.2 Å²	28.2	32%	0.317	15%	0.145	S	C	.	.	H	α-helix	trans	-51.2	-54.5	-172	171.6	179.7	170.3	-178.4	0.1	112.5	M167 F456 C463 I464 L468 A469 E470	M167-R466 HydrophobicContact CE-CB 4.28Å; M167-R466 HydrophobicContact SD-CB 4.13Å; F456-R466 HydrophobicContact CB-CB 4.29Å; F456-R466 HydrophobicContact CB-CG 4.19Å; F456-R466 HydrophobicContact CD1-CB 3.88Å; F456-R466 HydrophobicContact CD1-CG 4Å; F456-R466 HydrophobicContact CD2-CG 3.75Å; F456-R466 HydrophobicContact CE1-CB 4.32Å; F456-R466 HydrophobicContact CE1-CG 4.31Å; F456-R466 HydrophobicContact CE2-CG 4.08Å; F456-R466 HydrophobicContact CG-CB 3.97Å; F456-R466 HydrophobicContact CG-CG 3.7Å; F456-R466 HydrophobicContact CZ-CG 4.34Å; C463-R466 HydrophobicContact CB-CB 4.38Å; I464-R466 VanDerWaalsContact C-N 3.32Å; R466-L468 VanDerWaalsContact C-N 3.3Å; R466-L468 PolarHBondContact O-N 2.63Å; R466-A469 PolarHBondContact O-N 3.04Å; R466-E470 HydrophobicContact CG-CG 4.38Å; R466-E470 IonicContact CZ-OE1 3.26Å; R466-E470 IonicContact NE-OE1 2.66Å; R466-E470 PolarHBondContact NE-OE1 3.45Å; R466-E470 IonicContact NE-OE2 3.69Å; R466-E470 IonicContact NH2-OE1 3.01Å; R466-E470 PolarHBondContact NH2-OE1 3.1Å; R466-E470 WeakPolarHBondContact O-CB 3.42Å; R466-E470 WeakPolarHBondContact O-CG 3.23Å; R466-E470 PolarHBondContact O-N 3.14Å
467	R	94.6	Very high	95	Very high	98 Å²	98	26.6 Å²	26.6	37%	0.37	14%	0.138	S	C	.	.	H	α-helix	trans	-65.2	-39.3	-175	-63.7	-57.9	-168.4	153.4	2.8	111.6	M167 V172 G465 L471	M167-R467 HydrophobicContact SD-CG 4.05Å; V172-R467 HydrophobicContact CB-CB 4.43Å; V172-R467 HydrophobicContact CG1-CB 4.19Å; V172-R467 HydrophobicContact CG2-CB 3.91Å; G465-R467 PolarHBondContact O-N 3.36Å; R467-L471 WeakPolarHBondContact O-CB 3.42Å; R467-L471 PolarHBondContact O-N 3.26Å
468	L	93.4	Very high	95.1	Very high	8 Å²	8	26.1 Å²	26.1	4%	0.042	13%	0.133	C	C	.	.	H	α-helix	trans	-68.1	-43.8	178.4	174.1	59.9	0	0	0	111.6	L175 I216 I219 G465 R466 L471 Q472	L175-L468 HydrophobicContact CD1-CD1 3.9Å; I216-L468 HydrophobicContact CD1-CD2 3.83Å; I219-L468 HydrophobicContact CD1-CD1 3.48Å; I219-L468 VanDerWaalsContact CD1-CD1 3.48Å; I219-L468 HydrophobicContact CD1-CD2 4Å; I219-L468 HydrophobicContact CD1-CG 4.24Å; I219-L468 HydrophobicContact CG2-CD2 4.13Å; G465-L468 PolarHBondContact O-N 2.89Å; R466-L468 VanDerWaalsContact C-N 3.3Å; R466-L468 PolarHBondContact O-N 2.63Å; L468-L471 PolarHBondContact O-N 2.91Å; L468-Q472 HydrophobicContact CD1-CG 4.28Å; L468-Q472 VanDerWaalsContact CG-NE2 3.31Å; L468-Q472 WeakPolarHBondContact O-CG 3.37Å; L468-Q472 PolarHBondContact O-N 3.02Å
469	A	95.9	Very high	95.3	Very high	11 Å²	11	24.7 Å²	24.7	9%	0.091	13%	0.126	C	C	.	.	H	α-helix	trans	-63.5	-44.9	175.1	0	0	0	0	0	111.4	F456 G465 R466 L471 Q472 L473	F456-A469 HydrophobicContact CE1-CB 4.21Å; F456-A469 HydrophobicContact CZ-CB 4.48Å; G465-A469 WeakPolarHBondContact O-CB 3.35Å; G465-A469 PolarHBondContact O-N 3.28Å; R466-A469 PolarHBondContact O-N 3.04Å; A469-L471 VanDerWaalsContact C-N 3.33Å; A469-L471 PolarHBondContact O-N 2.99Å; A469-Q472 PolarHBondContact O-N 3.24Å; A469-L473 WeakPolarHBondContact O-CB 3.4Å; A469-L473 WeakPolarHBondContact O-CG 3.25Å; A469-L473 PolarHBondContact O-N 2.6Å
470	E	96.2	Very high	95.4	Very high	32 Å²	32	23.5 Å²	23.5	15%	0.15	11%	0.113	C	C	.	.	H	α-helix	trans	-55.5	-47.7	173.9	-77.7	172.2	167.2	0	0	110.9	F456 R466 L473 Q474	F456-E470 HydrophobicContact CE2-CG 4.2Å; F456-E470 HydrophobicContact CZ-CG 4.29Å; R466-E470 HydrophobicContact CG-CG 4.38Å; R466-E470 IonicContact CZ-OE1 3.26Å; R466-E470 IonicContact NE-OE1 2.66Å; R466-E470 PolarHBondContact NE-OE1 3.45Å; R466-E470 IonicContact NE-OE2 3.69Å; R466-E470 IonicContact NH2-OE1 3.01Å; R466-E470 PolarHBondContact NH2-OE1 3.1Å; R466-E470 WeakPolarHBondContact O-CB 3.42Å; R466-E470 WeakPolarHBondContact O-CG 3.23Å; R466-E470 PolarHBondContact O-N 3.14Å; E470-L473 PolarHBondContact O-N 3.25Å; E470-Q474 VanDerWaalsContact O-CB 3.25Å; E470-Q474 WeakPolarHBondContact O-CB 3.29Å; E470-Q474 WeakPolarHBondContact O-CG 3.49Å; E470-Q474 PolarHBondContact O-N 2.85Å
471	L	93.6	Very high	95.6	Very high	10 Å²	10	19.1 Å²	19.1	5%	0.052	9%	0.094	C	C	.	.	H	α-helix	trans	-60.7	-48.9	177.9	179.3	65.4	0	0	0	112	V172 D176 R467 L468 A469 L473 Q474 L475	V172-L471 HydrophobicContact CG1-CB 4.27Å; V172-L471 HydrophobicContact CG1-CD2 3.83Å; V172-L471 WeakPolarHBondContact O-CD2 3.2Å; D176-L471 HydrophobicContact CB-CD2 4.29Å; R467-L471 WeakPolarHBondContact O-CB 3.42Å; R467-L471 PolarHBondContact O-N 3.26Å; L468-L471 PolarHBondContact O-N 2.91Å; A469-L471 VanDerWaalsContact C-N 3.33Å; A469-L471 PolarHBondContact O-N 2.99Å; L471-L473 PolarHBondContact O-N 3.45Å; L471-Q474 PolarHBondContact O-N 3.49Å; L471-L475 HydrophobicContact CD1-CD1 3.73Å; L471-L475 HydrophobicContact CD1-CG 3.97Å; L471-L475 HydrophobicContact CD2-CD1 4.49Å; L471-L475 HydrophobicContact CG-CD1 3.79Å; L471-L475 HydrophobicContact CG-CG 4.4Å; L471-L475 WeakPolarHBondContact O-CB 2.99Å; L471-L475 WeakPolarHBondContact O-CG 3.36Å; L471-L475 PolarHBondContact O-N 3.49Å
472	Q	94	Very high	95.5	Very high	5 Å²	5	21.4 Å²	21.4	2%	0.023	10%	0.102	C	C	.	.	H	α-helix	trans	-59.3	-47.1	179.5	-73	178.6	54.8	0	0	111.9	I179 W211 T215 T332 L468 A469 A476	I179-Q472 HydrophobicContact CD1-CG 4.38Å; W211-Q472 HydrophobicContact CH2-CB 4.47Å; W211-Q472 HydrophobicContact CZ2-CB 4.3Å; T215-Q472 HydrophobicContact CG2-CG 3.79Å; T215-Q472 VanDerWaalsContact CG2-OE1 3.3Å; T332-Q472 HydrophobicContact CG2-CB 4.31Å; L468-Q472 HydrophobicContact CD1-CG 4.28Å; L468-Q472 VanDerWaalsContact CG-NE2 3.31Å; L468-Q472 WeakPolarHBondContact O-CG 3.37Å; L468-Q472 PolarHBondContact O-N 3.02Å; A469-Q472 PolarHBondContact O-N 3.24Å; Q472-A476 VanDerWaalsContact O-CB 3.28Å; Q472-A476 WeakPolarHBondContact O-CB 3.24Å; Q472-A476 PolarHBondContact O-N 3.02Å
473	L	97	Very high	95.4	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-64.1	-41.9	178.5	-67.3	170.7	0	0	0	111.7	W211 T332 M336 L382 M386 A469 E470 L471 M477	W211-L473 HydrophobicContact CH2-CD2 4.47Å; T332-L473 HydrophobicContact CG2-CD2 3.89Å; T332-L473 HydrophobicContact CG2-CG 4.05Å; T332-L473 WeakPolarHBondContact O-CD2 3.37Å; M336-L473 HydrophobicContact CB-CD2 3.83Å; M336-L473 HydrophobicContact CE-CD2 3.92Å; L382-L473 HydrophobicContact CD1-CB 4.03Å; L382-L473 HydrophobicContact CD2-CB 4Å; M386-L473 HydrophobicContact CE-CD1 3.42Å; M386-L473 VanDerWaalsContact CE-CD1 3.42Å; A469-L473 WeakPolarHBondContact O-CB 3.4Å; A469-L473 WeakPolarHBondContact O-CG 3.25Å; A469-L473 PolarHBondContact O-N 2.6Å; E470-L473 PolarHBondContact O-N 3.25Å; L471-L473 PolarHBondContact O-N 3.45Å; L473-M477 VanDerWaalsContact O-CB 3.25Å; L473-M477 WeakPolarHBondContact O-CB 3.38Å; L473-M477 VanDerWaalsContact O-CG 3.3Å; L473-M477 WeakPolarHBondContact O-CG 3.5Å; L473-M477 PolarHBondContact O-N 3.13Å
474	Q	96.1	Very high	95.4	Very high	23 Å²	23	20.1 Å²	20.1	11%	0.107	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-49.8	179.9	-74.2	159.7	10.7	0	0	111.4	I372 L378 L382 E470 L471 C478	I372-Q474 HydrophobicContact CD1-CB 4.15Å; I372-Q474 HydrophobicContact CG1-CB 4.34Å; I372-Q474 HydrophobicContact CG2-CB 3.8Å; I372-Q474 HydrophobicContact CG2-CG 4.12Å; L378-Q474 HydrophobicContact CD2-CB 4Å; L378-Q474 HydrophobicContact CD2-CG 4.31Å; L378-Q474 HydrophobicContact CG-CG 4.37Å; L382-Q474 HydrophobicContact CD1-CB 4.29Å; L382-Q474 HydrophobicContact CD1-CG 3.32Å; E470-Q474 VanDerWaalsContact O-CB 3.25Å; E470-Q474 WeakPolarHBondContact O-CB 3.29Å; E470-Q474 WeakPolarHBondContact O-CG 3.49Å; E470-Q474 PolarHBondContact O-N 2.85Å; L471-Q474 PolarHBondContact O-N 3.49Å; Q474-C478 WeakPolarHBondContact O-CB 3.26Å; Q474-C478 PolarHBondContact O-N 3.24Å
475	L	94.3	Very high	95.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.5	-52.6	178.8	-69.4	169.4	0	0	0	110.9	D176 L185 I372 L471 M477 C478 W479	D176-L475 WeakPolarHBondContact OD1-CD1 3.15Å; L185-L475 HydrophobicContact CD1-CB 3.55Å; L185-L475 HydrophobicContact CD1-CD1 4.33Å; L185-L475 HydrophobicContact CD1-CG 4.49Å; I372-L475 HydrophobicContact CD1-CD2 4.21Å; I372-L475 HydrophobicContact CG1-CD2 3.81Å; I372-L475 HydrophobicContact CG1-CG 4.38Å; L471-L475 HydrophobicContact CD1-CD1 3.73Å; L471-L475 HydrophobicContact CD1-CG 3.97Å; L471-L475 HydrophobicContact CD2-CD1 4.49Å; L471-L475 HydrophobicContact CG-CD1 3.79Å; L471-L475 HydrophobicContact CG-CG 4.4Å; L471-L475 WeakPolarHBondContact O-CB 2.99Å; L471-L475 WeakPolarHBondContact O-CG 3.36Å; L471-L475 PolarHBondContact O-N 3.49Å; L475-M477 VanDerWaalsContact C-N 3.33Å; L475-M477 PolarHBondContact O-N 2.88Å; L475-C478 VanDerWaalsContact O-CB 3.32Å; L475-C478 WeakPolarHBondContact O-CB 3.39Å; L475-C478 PolarHBondContact O-N 2.77Å; L475-W479 VanDerWaalsContact O-CD1 3.25Å; L475-W479 PolarHBondContact O-N 2.69Å
476	A	95.3	Very high	95.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.6	-39	-178.5	0	0	0	0	0	112.8	L185 W211 M336 Q472 C478 W479 L480	L185-A476 HydrophobicContact CD2-CB 3.65Å; W211-A476 HydrophobicContact CH2-CB 3.85Å; W211-A476 HydrophobicContact CZ2-CB 3.36Å; M336-A476 HydrophobicContact CE-CB 3.31Å; Q472-A476 VanDerWaalsContact O-CB 3.28Å; Q472-A476 WeakPolarHBondContact O-CB 3.24Å; Q472-A476 PolarHBondContact O-N 3.02Å; A476-C478 VanDerWaalsContact C-N 3.34Å; A476-C478 PolarHBondContact O-N 3.19Å; A476-W479 PolarHBondContact O-N 3.1Å; A476-L480 WeakPolarHBondContact O-CB 3.48Å; A476-L480 VanDerWaalsContact O-CG 3.3Å; A476-L480 WeakPolarHBondContact O-CG 3.44Å; A476-L480 PolarHBondContact O-N 3.13Å
477	M	96.9	Very high	95.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.9	-36.5	174.1	-79.5	-52.1	-44.7	0	0	113	M336 V339 I340 L343 L378 L382 L473 L475 L480 V481 I486	M336-M477 HydrophobicContact CE-CG 3.94Å; M336-M477 HydrophobicContact CE-SD 4.19Å; M336-M477 HydrophobicContact SD-CG 3.78Å; M336-M477 HydrophobicContact SD-SD 3.28Å; V339-M477 HydrophobicContact CG1-CG 3.84Å; V339-M477 HydrophobicContact CG1-SD 3.52Å; V339-M477 VanDerWaalsContact CG1-SD 3.52Å; V339-M477 HydrophobicContact CG2-CG 4.44Å; V339-M477 HydrophobicContact CG2-SD 4.34Å; I340-M477 HydrophobicContact CG1-SD 4.17Å; L343-M477 HydrophobicContact CD1-CE 3.36Å; L378-M477 HydrophobicContact CD1-CB 3.86Å; L382-M477 HydrophobicContact CD2-CG 4.29Å; L473-M477 VanDerWaalsContact O-CB 3.25Å; L473-M477 WeakPolarHBondContact O-CB 3.38Å; L473-M477 VanDerWaalsContact O-CG 3.3Å; L473-M477 WeakPolarHBondContact O-CG 3.5Å; L473-M477 PolarHBondContact O-N 3.13Å; L475-M477 VanDerWaalsContact C-N 3.33Å; L475-M477 PolarHBondContact O-N 2.88Å; M477-L480 HydrophobicContact SD-CD1 4.41Å; M477-V481 HydrophobicContact CE-CG2 3.56Å; M477-V481 WeakPolarHBondContact O-CB 3.38Å; M477-V481 WeakPolarHBondContact O-CG2 3.26Å; M477-V481 PolarHBondContact O-N 3.12Å; M477-I486 HydrophobicContact CE-CD1 4.29Å
478	C	95.1	Very high	95.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.6	-49.4	175.4	-170.3	0	0	0	0	110.8	P367 I372 L378 Q474 L475 A476 R482	P367-C478 HydrophobicContact CB-CB 4.04Å; P367-C478 HydrophobicContact CG-CB 4.27Å; P367-C478 VanDerWaalsContact CG-SG 3.6Å; I372-C478 HydrophobicContact CD1-CB 4.31Å; L378-C478 HydrophobicContact CD2-CB 4.47Å; Q474-C478 WeakPolarHBondContact O-CB 3.26Å; Q474-C478 PolarHBondContact O-N 3.24Å; L475-C478 VanDerWaalsContact O-CB 3.32Å; L475-C478 WeakPolarHBondContact O-CB 3.39Å; L475-C478 PolarHBondContact O-N 2.77Å; A476-C478 VanDerWaalsContact C-N 3.34Å; A476-C478 PolarHBondContact O-N 3.19Å; C478-R482 VanDerWaalsContact O-CB 3.25Å; C478-R482 WeakPolarHBondContact O-CB 3.39Å; C478-R482 PolarHBondContact O-N 2.95Å
479	W	94.1	Very high	95.9	Very high	9 Å²	9	19.7 Å²	19.7	3%	0.034	11%	0.105	C	C	.	.	H	α-helix	trans	-58.3	-49.6	175.1	-84.3	89.5	0	0	0	112.5	L185 M186 V189 D366 P367 L475 A476 R482 D483	L185-W479 HydrophobicContact CB-CD2 4.27Å; L185-W479 HydrophobicContact CB-CG 4.21Å; M186-W479 HydrophobicContact CB-CH2 4.44Å; M186-W479 HydrophobicContact CB-CZ3 4.48Å; M186-W479 HydrophobicContact CG-CH2 3.17Å; M186-W479 HydrophobicContact CG-CZ2 3.89Å; M186-W479 HydrophobicContact CG-CZ3 3.55Å; M186-W479 HydrophobicContact SD-CH2 4.03Å; V189-W479 HydrophobicContact CG2-CB 3.89Å; V189-W479 HydrophobicContact CG2-CE3 4.05Å; D366-W479 HydrophobicContact CB-CH2 3.97Å; D366-W479 HydrophobicContact CB-CZ2 3.63Å; D366-W479 WeakPolarHBondContact OD1-CH2 3.4Å; P367-W479 HydrophobicContact CG-CD2 4.33Å; P367-W479 HydrophobicContact CG-CG 4.13Å; L475-W479 VanDerWaalsContact O-CD1 3.25Å; L475-W479 PolarHBondContact O-N 2.69Å; A476-W479 PolarHBondContact O-N 3.1Å; W479-R482 PolarHBondContact O-N 2.79Å; W479-D483 PolarHBondContact O-N 3.32Å
480	L	95.7	Very high	95.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.6	-46	-178.4	-73.5	173.7	0	0	0	112.9	F188 I192 M336 I340 A476 M477 D483 Y484 F512	F188-L480 HydrophobicContact CE1-CD1 4.1Å; F188-L480 HydrophobicContact CE1-CD2 4.05Å; F188-L480 HydrophobicContact CE1-CG 4.25Å; I192-L480 HydrophobicContact CG1-CD2 4.33Å; M336-L480 HydrophobicContact SD-CD1 4.21Å; I340-L480 HydrophobicContact CD1-CD1 4.14Å; I340-L480 HydrophobicContact CG1-CD1 4.49Å; A476-L480 WeakPolarHBondContact O-CB 3.48Å; A476-L480 VanDerWaalsContact O-CG 3.3Å; A476-L480 WeakPolarHBondContact O-CG 3.44Å; A476-L480 PolarHBondContact O-N 3.13Å; M477-L480 HydrophobicContact SD-CD1 4.41Å; L480-D483 PolarHBondContact O-N 3.37Å; L480-Y484 HydrophobicContact CD2-CD2 4.47Å; L480-Y484 WeakPolarHBondContact O-CA 3.49Å; L480-Y484 WeakPolarHBondContact O-CB 3.44Å; L480-Y484 PolarHBondContact O-N 2.76Å; L480-F512 HydrophobicContact CD2-CE1 4.34Å
481	V	97	Very high	95.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-73	-31.2	-176.9	171.4	0	0	0	0	111.8	L343 L353 L354 I357 M477 D483 I486 R515	L343-V481 HydrophobicContact CD1-CG2 4.3Å; L353-V481 HydrophobicContact CD2-CG1 4.49Å; L353-V481 HydrophobicContact CD2-CG2 4.04Å; L353-V481 HydrophobicContact CG-CG1 4.3Å; L354-V481 HydrophobicContact CB-CG1 3.9Å; L354-V481 HydrophobicContact CD1-CG1 4.32Å; L354-V481 WeakPolarHBondContact CD1-O 3.3Å; I357-V481 HydrophobicContact CD1-CB 3.83Å; I357-V481 HydrophobicContact CD1-CG1 3.8Å; M477-V481 HydrophobicContact CE-CG2 3.56Å; M477-V481 WeakPolarHBondContact O-CB 3.38Å; M477-V481 WeakPolarHBondContact O-CG2 3.26Å; M477-V481 PolarHBondContact O-N 3.12Å; V481-D483 VanDerWaalsContact C-N 3.33Å; V481-I486 HydrophobicContact CG2-CD1 4.47Å; V481-R515 PolarHBondContact O-NE 3.06Å
482	R	94.4	Very high	95.8	Very high	54 Å²	54	32.4 Å²	32.4	20%	0.204	17%	0.168	C	C	.	.	H	α-helix	trans	-59.8	-45.2	173.8	-172.9	-176	69.4	174.8	-5.9	111	I357 Q365 D366 P367 C478 W479	I357-R482 HydrophobicContact CG2-CB 4.26Å; Q365-R482 PolarHBondContact O-NH1 2.83Å; Q365-R482 VanDerWaalsContact O-NH1 3.11Å; D366-R482 IonicContact OD1-NH1 3.38Å; D366-R482 PolarHBondContact OD1-NH1 2.86Å; D366-R482 IonicContact OD1-NH2 3.65Å; P367-R482 VanDerWaalsContact CD-NH1 3.26Å; C478-R482 VanDerWaalsContact O-CB 3.25Å; C478-R482 WeakPolarHBondContact O-CB 3.39Å; C478-R482 PolarHBondContact O-N 2.95Å; W479-R482 PolarHBondContact O-N 2.79Å
483	D	93.7	Very high	95.7	Very high	43 Å²	43	36.6 Å²	36.6	23%	0.23	20%	0.196	C	C	.	.	H	α-helix	trans	-99.8	-20.8	-168	-62.8	6.6	0	0	0	113.2	V189 W479 L480 V481 R515	V189-D483 HydrophobicContact CG1-CB 4.31Å; V189-D483 WeakPolarHBondContact CG1-OD2 3.4Å; W479-D483 PolarHBondContact O-N 3.32Å; L480-D483 PolarHBondContact O-N 3.37Å; V481-D483 VanDerWaalsContact C-N 3.33Å; D483-R515 PolarHBondContact O-N 3.38Å
484	Y	96.7	Very high	95.6	Very high	10 Å²	10	37.6 Å²	37.6	4%	0.039	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.2	-178.6	-62.4	-83.4	0	0	0	113.7	V189 I192 G193 L480 F512 V513 R514 R515	V189-Y484 HydrophobicContact CG1-CE2 3.98Å; V189-Y484 PolarHBondContact O-OH 2.62Å; I192-Y484 HydrophobicContact CG2-CD2 4.39Å; I192-Y484 HydrophobicContact CG2-CE1 4.46Å; I192-Y484 HydrophobicContact CG2-CE2 3.85Å; G193-Y484 WeakPolarHBondContact CA-OH 3.37Å; G193-Y484 PolarHBondContact N-OH 3.3Å; G193-Y484 VanDerWaalsContact N-OH 3.15Å; L480-Y484 HydrophobicContact CD2-CD2 4.47Å; L480-Y484 WeakPolarHBondContact O-CA 3.49Å; L480-Y484 WeakPolarHBondContact O-CB 3.44Å; L480-Y484 PolarHBondContact O-N 2.76Å; Y484-F512 HydrophobicContact CD1-CB 3.76Å; Y484-F512 HydrophobicContact CE1-CB 4.33Å; Y484-F512 HydrophobicContact CG-CB 4.08Å; Y484-F512 HydrophobicContact CG-CD1 4.35Å; Y484-V513 CarbonylContact C-O 3.55Å; Y484-V513 WeakPolarHBondContact CA-O 3.44Å; Y484-R514 HydrophobicContact CD1-CB 4.25Å; Y484-R514 HydrophobicContact CE1-CB 4.1Å; Y484-R514 HydrophobicContact CE1-CG 4.38Å; Y484-R515 PolarHBondContact O-NE 3.38Å; Y484-R515 VanDerWaalsContact O-NE 3.11Å; Y484-R515 PolarHBondContact O-NH2 3.32Å
485	E	97.8	Very high	95.5	Very high	83 Å²	83	40.3 Å²	40.3	39%	0.388	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	122.2	153.1	-157.8	156.9	161.1	0	0	110.4	V487 F512 V513 R515	E485-V487 HydrophobicContact CB-CG1 4.35Å; E485-V487 HydrophobicContact CG-CG1 3.76Å; E485-F512 CarbonylContact O-C 3.59Å; E485-F512 WeakPolarHBondContact O-CA 3.42Å; E485-V513 HydrophobicContact CB-CB 4.16Å; E485-V513 PolarHBondContact N-O 2.81Å; E485-V513 PolarHBondContact O-N 2.99Å; E485-R515 VanDerWaalsContact CA-CZ 3.41Å; E485-R515 VanDerWaalsContact CB-CZ 3.44Å; E485-R515 VanDerWaalsContact CB-NH1 3.26Å; E485-R515 VanDerWaalsContact CB-NH2 3.32Å; E485-R515 VanDerWaalsContact CG-NH2 3.27Å; E485-R515 IonicContact OE2-CZ 3.72Å; E485-R515 IonicContact OE2-NH1 2.79Å; E485-R515 PolarHBondContact OE2-NH1 3.39Å; E485-R515 IonicContact OE2-NH2 2.77Å
486	I	98.1	Very high	95.5	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	109.1	174.8	-49.7	176.3	0	0	0	107.1	I340 S344 Q350 M477 V481 A511 F512	I340-I486 HydrophobicContact CG1-CD1 4.34Å; I340-I486 HydrophobicContact CG2-CD1 4.43Å; I340-I486 HydrophobicContact CG2-CG2 3.74Å; S344-I486 WeakPolarHBondContact CA-O 2.95Å; Q350-I486 PolarHBondContact NE2-O 3.27Å; M477-I486 HydrophobicContact CE-CD1 4.29Å; V481-I486 HydrophobicContact CG2-CD1 4.47Å; I486-A511 CarbonylContact C-O 3.52Å; I486-A511 WeakPolarHBondContact CA-O 3.42Å; I486-F512 HydrophobicContact CD1-CE1 4.14Å; I486-F512 HydrophobicContact CG1-CD1 4.03Å; I486-F512 HydrophobicContact CG1-CE1 4.01Å
487	V	97.7	Very high	95.5	Very high	44 Å²	44	44.1 Å²	44.1	27%	0.267	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	146	-177.1	-58.9	0	0	0	0	111.2	E485 V510 A511 V513	E485-V487 HydrophobicContact CB-CG1 4.35Å; E485-V487 HydrophobicContact CG-CG1 3.76Å; V487-V510 CarbonylContact O-C 3.52Å; V487-V510 VanDerWaalsContact O-CA 3.31Å; V487-V510 WeakPolarHBondContact O-CA 3.46Å; V487-A511 HydrophobicContact CG2-CB 3.84Å; V487-A511 PolarHBondContact N-O 3.06Å; V487-A511 PolarHBondContact O-N 3.17Å; V487-V513 HydrophobicContact CG1-CG2 4.43Å; V487-V513 HydrophobicContact CG2-CG2 4.07Å
488	A	97.4	Very high	95.2	Very high	33 Å²	33	45.7 Å²	45.7	27%	0.273	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	136.7	170.1	0	0	0	0	0	110.5	P509	A488-P509 CarbonylContact C-O 3.38Å; A488-P509 VanDerWaalsContact CA-O 3.29Å; A488-P509 WeakPolarHBondContact CA-O 3.43Å
489	T	96.5	Very high	94.8	Very high	55 Å²	55	49.6 Å²	49.6	34%	0.337	27%	0.273	S	S	.	.	S	Bend	trans	-97	-16	-177.3	61	0	0	0	0	114	K200 P509 A511	K200-T489 HydrophobicContact CG-CG2 4.3Å; T489-P509 PolarHBondContact N-O 3.34Å; T489-P509 WeakPolarHBondContact OG1-CA 3.26Å; T489-P509 WeakPolarHBondContact OG1-CB 3.45Å; T489-P509 PolarHBondContact OG1-O 2.79Å; T489-A511 HydrophobicContact CG2-CB 3.59Å
490	D	95.2	Very high	94.3	Very high	51 Å²	51	52 Å²	52	27%	0.273	30%	0.3	S	S	.	.			trans	-146.3	176.7	170.8	67	47.5	0	0	0	108.6	R345 E492 R506 P509	R345-D490 PolarHBondContact NH1-O 3.39Å; R345-D490 PolarHBondContact NH2-O 2.91Å; R345-D490 IonicContact NH2-OD1 3.78Å; R345-D490 PolarHBondContact NH2-OD1 3.04Å; D490-E492 PolarHBondContact OD1-N 2.66Å; D490-R506 IonicContact OD1-CZ 2.65Å; D490-R506 IonicContact OD1-NH1 2.87Å; D490-R506 IonicContact OD1-NH2 3.07Å; D490-R506 PolarHBondContact OD1-NH2 3.45Å; D490-R506 IonicContact OD2-CZ 3.2Å; D490-R506 IonicContact OD2-NH1 3.24Å; D490-R506 PolarHBondContact OD2-NH1 3.27Å; D490-R506 IonicContact OD2-NH2 2.71Å; D490-R506 PolarHBondContact OD2-NH2 3.16Å; D490-P509 HydrophobicContact CB-CB 4.38Å; D490-P509 VanDerWaalsContact OD1-CB 3.22Å; D490-P509 WeakPolarHBondContact OD1-CB 3.27Å; D490-P509 WeakPolarHBondContact OD1-CG 3.47Å; D490-P509 WeakPolarHBondContact OD2-CB 3.46Å
491	N	93.7	Very high	94.1	Very high	141 Å²	141	52.8 Å²	52.8	75%	0.754	30%	0.304	S	S	*	.			trans	-116.8	15.6	173.2	-68.9	-45.4	0	0	0	113.6	R345	R345-N491 PolarHBondContact NH1-OD1 3.01Å
492	E	95.1	Very high	94	Very high	127 Å²	127	52.8 Å²	52.8	59%	0.593	30%	0.304	S	S	*	.			trans	-73.2	147	-177.4	-63.7	-53.7	132.1	0	0	110.8	D490 R506	D490-E492 PolarHBondContact OD1-N 2.66Å; E492-R506 PolarHBondContact O-NH2 3.2Å
493	P	91.8	Very high	94.1	Very high	93 Å²	93	51 Å²	51	60%	0.604	30%	0.299	S	S	*	.			trans	-52.1	144.2	174.6	-25.5	34.4	0	0	0	112.3	R506	P493-R506 PolarHBondContact O-NE 3.47Å; P493-R506 PolarHBondContact O-NH2 3.08Å
494	V	95.3	Very high	94.2	Very high	22 Å²	22	49.9 Å²	49.9	13%	0.133	29%	0.294	C	S	.	.			trans	-117.2	107.3	170	178.5	0	0	0	0	106.1	F341 P504 L508 P509	F341-V494 HydrophobicContact CE2-CB 4.2Å; F341-V494 HydrophobicContact CE2-CG2 3.64Å; F341-V494 HydrophobicContact CZ-CB 3.92Å; F341-V494 HydrophobicContact CZ-CG2 3.79Å; V494-P504 HydrophobicContact CG1-CB 3.61Å; V494-L508 HydrophobicContact CG1-CD2 4.11Å; V494-P509 HydrophobicContact CG2-CG 4.02Å
495	D	93.4	Very high	94.1	Very high	81 Å²	81	52.8 Å²	52.8	43%	0.433	31%	0.311	S	S	.	.			trans	-78.8	157	177.7	-62.7	-43.2	0	0	0	110.1	N505	D495-N505 HydrophobicContact CB-CB 4.2Å; D495-N505 PolarHBondContact N-OD1 2.7Å; D495-N505 PolarHBondContact O-N 2.84Å; D495-N505 PolarHBondContact O-OD1 3.37Å
496	V	94.5	Very high	93.9	Very high	28 Å²	28	52.6 Å²	52.6	17%	0.17	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	135.5	178.4	-175.5	0	0	0	0	108.9	H83 W338 L502	H83-V496 PolarHBondContact CE1-O 2.78Å; H83-V496 PolarHBondContact NE2-O 3.27Å; W338-V496 HydrophobicContact CH2-CG2 3.77Å; W338-V496 HydrophobicContact CZ2-CG1 4.27Å; W338-V496 HydrophobicContact CZ2-CG2 4.12Å; V496-L502 HydrophobicContact CG1-CB 3.6Å; V496-L502 HydrophobicContact CG1-CD1 4.02Å; V496-L502 HydrophobicContact CG1-CD2 3.99Å; V496-L502 HydrophobicContact CG1-CG 4.06Å
497	I	94.6	Very high	93.8	Very high	52 Å²	52	56.7 Å²	56.7	27%	0.267	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	147.5	173.1	58	168.1	0	0	0	110.8	I80 L502 V503 N505	I80-I497 HydrophobicContact CG2-CB 3.69Å; I80-I497 HydrophobicContact CG2-CG2 3.63Å; I497-L502 WeakPolarHBondContact O-CA 3.19Å; I497-V503 HydrophobicContact CD1-CG2 4.01Å; I497-V503 HydrophobicContact CG1-CG2 3.6Å; I497-V503 WeakPolarHBondContact CG1-O 2.98Å; I497-V503 PolarHBondContact N-O 3.14Å; I497-V503 PolarHBondContact O-N 3.4Å; I497-N505 HydrophobicContact CG2-CB 3.97Å
498	H	91.8	Very high	93.6	Very high	33 Å²	33	55 Å²	55	15%	0.153	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	107.4	175.9	-172.6	-165.5	0	0	0	110.4	I80 F394 G500 L501 L502	I80-H498 WeakPolarHBondContact O-CB 3.16Å; I80-H498 PolarHBondContact O-N 3.49Å; F394-H498 AromaticContact CE1-CE1 3.92Å; F394-H498 AromaticContact CZ-CE1 3.65Å; H498-G500 PolarHBondContact CD2-O 3.25Å; H498-G500 PolarHBondContact NE2-O 2.56Å; H498-L501 WeakPolarHBondContact CA-O 3.48Å; H498-L502 HydrophobicContact CB-CD2 3.96Å
499	S	86.5	Confident	93.6	Very high	82 Å²	82	53.6 Å²	53.6	57%	0.573	30%	0.303	S	S	*	.	S	Bend	trans	-127	61.7	174.3	-178.9	0	0	0	0	109.5	L501	S499-L501 PolarHBondContact N-O 3.26Å; S499-L501 PolarHBondContact O-N 3.07Å
500	G	83.8	Confident	93.6	Very high	58 Å²	58	51.4 Å²	51.4	60%	0.598	29%	0.289	S	S	*	.	S	Bend	trans	82.4	-56.3	-167.8	0	0	0	0	0	111.6	H498	H498-G500 PolarHBondContact CD2-O 3.25Å; H498-G500 PolarHBondContact NE2-O 2.56Å
501	L	91.7	Very high	93.7	Very high	17 Å²	17	49.2 Å²	49.2	9%	0.089	28%	0.279	C	S	.	.	S	Bend	trans	-104.2	168.9	167.3	-58.2	-178.2	0	0	0	111.1	E330 T331 N334 S391 V392 H498 S499 V503	E330-L501 HydrophobicContact CB-CD1 4.19Å; E330-L501 HydrophobicContact CG-CD1 3.81Å; T331-L501 HydrophobicContact CG2-CD1 4.02Å; T331-L501 HydrophobicContact CG2-CD2 3.98Å; N334-L501 HydrophobicContact CB-CD1 4.2Å; S391-L501 CarbonylContact O-C 3.58Å; S391-L501 VanDerWaalsContact O-CA 3.31Å; S391-L501 WeakPolarHBondContact O-CA 3.2Å; S391-L501 WeakPolarHBondContact O-CB 3.32Å; S391-L501 WeakPolarHBondContact O-CD2 3.47Å; V392-L501 HydrophobicContact CG2-CD2 3.79Å; H498-L501 WeakPolarHBondContact CA-O 3.48Å; S499-L501 PolarHBondContact N-O 3.26Å; S499-L501 PolarHBondContact O-N 3.07Å; L501-V503 HydrophobicContact CB-CG1 4.28Å
502	L	95	Very high	93.9	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	110.5	166.2	-66.4	-165.8	0	0	0	109.6	H83 N334 W338 P390 S391 P393 V496 I497 H498	H83-L502 HydrophobicContact CB-CD1 4.47Å; H83-L502 HydrophobicContact CB-CD2 3.95Å; N334-L502 PolarHBondContact ND2-O 3.15Å; N334-L502 PolarHBondContact OD1-O 2.87Å; W338-L502 PolarHBondContact NE1-O 3.21Å; P390-L502 HydrophobicContact CG-CD1 4.23Å; P390-L502 WeakPolarHBondContact O-CB 3.26Å; P390-L502 WeakPolarHBondContact O-CD1 3.31Å; S391-L502 PolarHBondContact O-N 3.41Å; P393-L502 HydrophobicContact CB-CD1 3.94Å; P393-L502 HydrophobicContact CB-CD2 3.97Å; P393-L502 HydrophobicContact CB-CG 3.9Å; P393-L502 HydrophobicContact CG-CD2 4.01Å; P393-L502 HydrophobicContact CG-CG 4.11Å; V496-L502 HydrophobicContact CG1-CB 3.6Å; V496-L502 HydrophobicContact CG1-CD1 4.02Å; V496-L502 HydrophobicContact CG1-CD2 3.99Å; V496-L502 HydrophobicContact CG1-CG 4.06Å; I497-L502 WeakPolarHBondContact O-CA 3.19Å; H498-L502 HydrophobicContact CB-CD2 3.96Å
503	V	95.4	Very high	94	Very high	17 Å²	17	40.3 Å²	40.3	10%	0.103	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	155.7	-178.5	-56.6	0	0	0	0	109.5	Y205 I497 L501	Y205-V503 HydrophobicContact CE1-CG1 4.43Å; I497-V503 HydrophobicContact CD1-CG2 4.01Å; I497-V503 HydrophobicContact CG1-CG2 3.6Å; I497-V503 WeakPolarHBondContact CG1-O 2.98Å; I497-V503 PolarHBondContact N-O 3.14Å; I497-V503 PolarHBondContact O-N 3.4Å; L501-V503 HydrophobicContact CB-CG1 4.28Å
504	P	96.3	Very high	94.1	Very high	19 Å²	19	44.9 Å²	44.9	12%	0.123	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	149.1	175.7	26.9	-33.6	0	0	0	111.4	L337 W338 V494 R506 L508	L337-P504 HydrophobicContact CD2-CG 3.77Å; W338-P504 HydrophobicContact CH2-CB 3.87Å; W338-P504 HydrophobicContact CH2-CG 4.47Å; W338-P504 HydrophobicContact CZ2-CB 4.34Å; V494-P504 HydrophobicContact CG1-CB 3.61Å; P504-R506 WeakPolarHBondContact CB-O 3.35Å; P504-R506 PolarHBondContact O-N 2.9Å; P504-L508 HydrophobicContact CB-CD2 3.94Å; P504-L508 HydrophobicContact CG-CD2 4.03Å; P504-L508 HydrophobicContact CG-CG 4.32Å
505	N	94.8	Very high	93.9	Very high	71 Å²	71	50 Å²	50	38%	0.38	26%	0.259	S	S	.	.	S	Bend	trans	-74	-14.1	178.8	73	-32.8	0	0	0	114	D495 I497	D495-N505 HydrophobicContact CB-CB 4.2Å; D495-N505 PolarHBondContact N-OD1 2.7Å; D495-N505 PolarHBondContact O-N 2.84Å; D495-N505 PolarHBondContact O-OD1 3.37Å; I497-N505 HydrophobicContact CG2-CB 3.97Å
506	R	94.6	Very high	94	Very high	78 Å²	78	48.5 Å²	48.5	29%	0.294	25%	0.251	S	S	.	.	S	Bend	trans	-146.1	169	-178.4	67.2	178.8	-177.6	98.9	-10.6	110.4	D490 E492 P493 P504 L508	D490-R506 IonicContact OD1-CZ 2.65Å; D490-R506 IonicContact OD1-NH1 2.87Å; D490-R506 IonicContact OD1-NH2 3.07Å; D490-R506 PolarHBondContact OD1-NH2 3.45Å; D490-R506 IonicContact OD2-CZ 3.2Å; D490-R506 IonicContact OD2-NH1 3.24Å; D490-R506 PolarHBondContact OD2-NH1 3.27Å; D490-R506 IonicContact OD2-NH2 2.71Å; D490-R506 PolarHBondContact OD2-NH2 3.16Å; E492-R506 PolarHBondContact O-NH2 3.2Å; P493-R506 PolarHBondContact O-NE 3.47Å; P493-R506 PolarHBondContact O-NH2 3.08Å; P504-R506 WeakPolarHBondContact CB-O 3.35Å; P504-R506 PolarHBondContact O-N 2.9Å; R506-L508 PolarHBondContact O-N 3.01Å
507	E	94.3	Very high	93.9	Very high	87 Å²	87	49.5 Å²	49.5	41%	0.407	26%	0.255	S	S	.	.			trans	-54.7	138	170.5	-169.6	59.1	-140.7	0	0	110.5	L204	L204-E507 PolarHBondContact N-OE1 2.9Å
508	L	94.9	Very high	93.9	Very high	10 Å²	10	49.4 Å²	49.4	5%	0.052	25%	0.254	C	S	.	.			trans	-67.6	134.3	-178.2	-79.2	-167.2	0	0	0	110.9	L337 F341 V494 P504 R506 V510	L337-L508 HydrophobicContact CD1-CD1 3.46Å; L337-L508 VanDerWaalsContact CD1-CD1 3.46Å; L337-L508 HydrophobicContact CD1-CG 4.04Å; L337-L508 HydrophobicContact CD2-CD1 4.43Å; L337-L508 HydrophobicContact CG-CD1 3.54Å; L337-L508 HydrophobicContact CG-CG 4.17Å; L337-L508 WeakPolarHBondContact O-CD1 3.44Å; F341-L508 HydrophobicContact CB-CD1 3.74Å; F341-L508 HydrophobicContact CB-CD2 4.14Å; F341-L508 HydrophobicContact CD2-CD2 3.76Å; F341-L508 HydrophobicContact CE2-CD2 4.41Å; F341-L508 HydrophobicContact CG-CD1 4.49Å; F341-L508 HydrophobicContact CG-CD2 4.04Å; V494-L508 HydrophobicContact CG1-CD2 4.11Å; P504-L508 HydrophobicContact CB-CD2 3.94Å; P504-L508 HydrophobicContact CG-CD2 4.03Å; P504-L508 HydrophobicContact CG-CG 4.32Å; R506-L508 PolarHBondContact O-N 3.01Å; L508-V510 HydrophobicContact CB-CG1 4.28Å; L508-V510 HydrophobicContact CB-CG2 3.98Å; L508-V510 PolarHBondContact O-N 3.39Å
509	P	96.3	Very high	94	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.019	26%	0.26	C	S	.	.			trans	-81	67.5	178.5	35.6	-38.1	0	0	0	110.8	F341 R345 A488 T489 D490 V494	F341-P509 HydrophobicContact CE2-CG 4.12Å; R345-P509 VanDerWaalsContact NH2-CG 3.35Å; A488-P509 CarbonylContact C-O 3.38Å; A488-P509 VanDerWaalsContact CA-O 3.29Å; A488-P509 WeakPolarHBondContact CA-O 3.43Å; T489-P509 PolarHBondContact N-O 3.34Å; T489-P509 WeakPolarHBondContact OG1-CA 3.26Å; T489-P509 WeakPolarHBondContact OG1-CB 3.45Å; T489-P509 PolarHBondContact OG1-O 2.79Å; D490-P509 HydrophobicContact CB-CB 4.38Å; D490-P509 VanDerWaalsContact OD1-CB 3.22Å; D490-P509 WeakPolarHBondContact OD1-CB 3.27Å; D490-P509 WeakPolarHBondContact OD1-CG 3.47Å; D490-P509 WeakPolarHBondContact OD2-CB 3.46Å; V494-P509 HydrophobicContact CG2-CG 4.02Å
510	V	97.3	Very high	94.5	Very high	8 Å²	8	48.4 Å²	48.4	5%	0.048	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.2	-176.6	-59.2	0	0	0	0	112	L204 I340 S344 V487 L508 F512	L204-V510 HydrophobicContact CD2-CG2 3.61Å; I340-V510 HydrophobicContact CG2-CG1 4.48Å; I340-V510 HydrophobicContact CG2-CG2 4.18Å; S344-V510 WeakPolarHBondContact OG-CG1 3.5Å; V487-V510 CarbonylContact O-C 3.52Å; V487-V510 VanDerWaalsContact O-CA 3.31Å; V487-V510 WeakPolarHBondContact O-CA 3.46Å; L508-V510 HydrophobicContact CB-CG1 4.28Å; L508-V510 HydrophobicContact CB-CG2 3.98Å; L508-V510 PolarHBondContact O-N 3.39Å; V510-F512 HydrophobicContact CG2-CE2 4.46Å
511	A	97.1	Very high	95.2	Very high	6 Å²	6	47.7 Å²	47.7	5%	0.05	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	151.2	171.3	0	0	0	0	0	110.8	G199 K200 I486 V487 T489	G199-A511 CarbonylContact O-C 3.54Å; G199-A511 WeakPolarHBondContact O-CA 3.4Å; G199-A511 WeakPolarHBondContact O-CB 3.23Å; K200-A511 HydrophobicContact CG-CB 4.14Å; I486-A511 CarbonylContact C-O 3.52Å; I486-A511 WeakPolarHBondContact CA-O 3.42Å; V487-A511 HydrophobicContact CG2-CB 3.84Å; V487-A511 PolarHBondContact N-O 3.06Å; V487-A511 PolarHBondContact O-N 3.17Å; T489-A511 HydrophobicContact CG2-CB 3.59Å
512	F	97.6	Very high	95.5	Very high	6 Å²	6	49.9 Å²	49.9	3%	0.026	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	108.7	179.4	-62.1	-96.7	0	0	0	109.2	I192 G199 I201 L204 I340 L480 Y484 E485 I486 V510	I192-F512 HydrophobicContact CG2-CB 4.34Å; I192-F512 HydrophobicContact CG2-CD1 4.19Å; I192-F512 HydrophobicContact CG2-CG 4.11Å; G199-F512 VanDerWaalsContact CA-O 3.26Å; G199-F512 WeakPolarHBondContact CA-O 3.41Å; G199-F512 PolarHBondContact O-N 3.42Å; I201-F512 HydrophobicContact CD1-CD2 3.88Å; I201-F512 HydrophobicContact CD1-CE2 3.93Å; I201-F512 HydrophobicContact CG1-CD2 4.36Å; L204-F512 HydrophobicContact CD1-CE2 4Å; L204-F512 HydrophobicContact CD1-CZ 4.14Å; L204-F512 HydrophobicContact CD2-CE2 4.05Å; L204-F512 HydrophobicContact CD2-CZ 4.16Å; I340-F512 HydrophobicContact CD1-CZ 4.23Å; I340-F512 HydrophobicContact CG2-CE1 4.46Å; I340-F512 HydrophobicContact CG2-CZ 3.94Å; L480-F512 HydrophobicContact CD2-CE1 4.34Å; Y484-F512 HydrophobicContact CD1-CB 3.76Å; Y484-F512 HydrophobicContact CE1-CB 4.33Å; Y484-F512 HydrophobicContact CG-CB 4.08Å; Y484-F512 HydrophobicContact CG-CD1 4.35Å; E485-F512 CarbonylContact O-C 3.59Å; E485-F512 WeakPolarHBondContact O-CA 3.42Å; I486-F512 HydrophobicContact CD1-CE1 4.14Å; I486-F512 HydrophobicContact CG1-CD1 4.03Å; I486-F512 HydrophobicContact CG1-CE1 4.01Å; V510-F512 HydrophobicContact CG2-CE2 4.46Å
513	V	96.3	Very high	95.5	Very high	75 Å²	75	53.7 Å²	53.7	46%	0.455	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	119.4	177.1	-176.4	0	0	0	0	108.6	Y484 E485 V487	Y484-V513 CarbonylContact C-O 3.55Å; Y484-V513 WeakPolarHBondContact CA-O 3.44Å; E485-V513 HydrophobicContact CB-CB 4.16Å; E485-V513 PolarHBondContact N-O 2.81Å; E485-V513 PolarHBondContact O-N 2.99Å; V487-V513 HydrophobicContact CG1-CG2 4.43Å; V487-V513 HydrophobicContact CG2-CG2 4.07Å
514	R	94.2	Very high	95.5	Very high	188 Å²	188	56.8 Å²	56.8	71%	0.709	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	140.1	-178	-165.6	170.9	-172.8	154.2	5.9	111.2	Y484	Y484-R514 HydrophobicContact CD1-CB 4.25Å; Y484-R514 HydrophobicContact CE1-CB 4.1Å; Y484-R514 HydrophobicContact CE1-CG 4.38Å
515	R	92.3	Very high	95.4	Very high	130 Å²	130	60.2 Å²	60.2	49%	0.491	27%	0.266	S	S	.	.			trans	-87.2	0	-178.6	-61.4	-160.2	175	-66.4	4.7	114.7	V481 D483 Y484 E485	V481-R515 PolarHBondContact O-NE 3.06Å; D483-R515 PolarHBondContact O-N 3.38Å; Y484-R515 PolarHBondContact O-NE 3.38Å; Y484-R515 VanDerWaalsContact O-NE 3.11Å; Y484-R515 PolarHBondContact O-NH2 3.32Å; E485-R515 VanDerWaalsContact CA-CZ 3.41Å; E485-R515 VanDerWaalsContact CB-CZ 3.44Å; E485-R515 VanDerWaalsContact CB-NH1 3.26Å; E485-R515 VanDerWaalsContact CB-NH2 3.32Å; E485-R515 VanDerWaalsContact CG-NH2 3.27Å; E485-R515 IonicContact OE2-CZ 3.72Å; E485-R515 IonicContact OE2-NH1 2.79Å; E485-R515 PolarHBondContact OE2-NH1 3.39Å; E485-R515 IonicContact OE2-NH2 2.77Å

Retrieved 515 of 515 residues in 847 ms (Link to these results)

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