A0A060W1B1_ONCMY Loading...

1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial

AlphaFold DB , UniProt , Accession A0A060W1B1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 516 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	40.4	Very low	36	Very low	240 Å²	240	166.3 Å²	166.3	100%	1.182	84%	0.839	S	S	*	*				0	114.1	0	-85	179.4	169.6	0	0	108.6
2	R	34.3	Very low	35.7	Very low	255 Å²	255	164.6 Å²	164.6	96%	0.962	84%	0.842	S	S	*	*			trans	171	116.8	155.8	-100.3	163.1	-172.1	-164.6	3.1	109.3
3	A	29.6	Very low	35.6	Very low	108 Å²	108	166.9 Å²	166.9	89%	0.893	85%	0.848	S	S	*	*				170.1	119.6	117.5	0	0	0	0	0	107.8
4	Q	35.1	Very low	35.4	Very low	173 Å²	173	166.1 Å²	166.1	81%	0.808	85%	0.846	S	S	*	*			trans	-136	136.4	171.9	-134.2	-163.6	8.5	0	0	107.7
5	I	37.1	Very low	35.1	Very low	130 Å²	130	166.4 Å²	166.4	67%	0.667	85%	0.848	S	S	*	*			trans	74	119.3	152.9	-42.8	179.4	0	0	0	117
6	Q	32.8	Very low	35	Very low	158 Å²	158	169.2 Å²	169.2	74%	0.738	85%	0.853	S	S	*	*				165.4	147.9	92.1	-143.8	169.3	44.8	0	0	114.1
7	K	31	Very low	35.2	Very low	185 Å²	185	170.9 Å²	170.9	80%	0.804	85%	0.854	S	S	*	*			trans	104.4	109.8	149.6	-62	-170.1	-179	177	0	120.9
8	V	38.8	Very low	35.4	Very low	131 Å²	131	172.7 Å²	172.7	79%	0.794	86%	0.855	S	S	*	*			trans	-62.7	155.3	154.8	179.8	0	0	0	0	108.7
9	P	42.2	Very low	34.9	Very low	112 Å²	112	171.2 Å²	171.2	73%	0.727	86%	0.856	S	S	*	*				-153.8	164.5	56	39	-14.5	0	0	0	121.2
10	Q	42.7	Very low	34.6	Very low	175 Å²	175	169.2 Å²	169.2	82%	0.818	85%	0.854	S	S	*	*			trans	12.1	122.1	149.5	-64.6	175.3	-16.4	0	0	119.1
11	I	32.4	Very low	34.3	Very low	162 Å²	162	164.5 Å²	164.5	83%	0.831	85%	0.847	S	S	*	*			trans	-178.7	84.3	135	-83	144.6	0	0	0	106.7
12	V	32.6	Very low	33.6	Very low	146 Å²	146	160.5 Å²	160.5	89%	0.885	83%	0.83	S	S	*	*			trans	-138.8	9.7	163.6	-168.2	0	0	0	0	112
13	E	33.9	Very low	33.2	Very low	195 Å²	195	156.2 Å²	156.2	91%	0.911	82%	0.821	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	24.2	178	-143.7	172.2	-167.7	0	0	113.9
14	L	32.3	Very low	33	Very low	156 Å²	156	159.4 Å²	159.4	82%	0.817	82%	0.817	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.7	18.7	179.9	-134.5	97.4	0	0	0	116.4
15	L	31.4	Very low	32.5	Very low	170 Å²	170	160 Å²	160	89%	0.89	82%	0.817	S	S	*	*			trans	-127.2	28.2	175	-70.4	174.2	0	0	0	114.4	K17	L15-K17 VanDerWaalsContact C-N 3.27Å; L15-K17 PolarHBondContact O-N 2.86Å
16	K	34.1	Very low	31.9	Very low	211 Å²	211	162.8 Å²	162.8	92%	0.917	83%	0.825	S	S	*	*			trans	-85.1	23.1	168.3	-88.6	-174.6	178.3	174.8	0	114.4
17	K	37.6	Very low	31.5	Very low	199 Å²	199	161 Å²	161	87%	0.865	83%	0.827	S	S	*	*	S	Bend	trans	-137.2	88.3	174.2	-79.9	-173.8	178.4	177.3	0	111.8	L15	L15-K17 VanDerWaalsContact C-N 3.27Å; L15-K17 PolarHBondContact O-N 2.86Å
18	K	38.5	Very low	31.3	Very low	202 Å²	202	158.5 Å²	158.5	88%	0.878	83%	0.827	S	S	*	*			trans	156	97	137.5	-90.1	176.5	175.9	-179.6	0	108.8
19	T	26.7	Very low	30.7	Very low	144 Å²	144	156.7 Å²	156.7	88%	0.883	82%	0.82	S	S	*	*			trans	-118.7	112.5	157.2	-28.3	0	0	0	0	107.1	G21	T19-G21 PolarHBondContact O-N 3.42Å
20	V	28.9	Very low	30.1	Very low	132 Å²	132	154.1 Å²	154.1	80%	0.8	81%	0.805	S	S	*	*			trans	-49.3	127.3	172.9	175.7	0	0	0	0	108.7	L22	V20-L22 PolarHBondContact O-N 2.73Å
21	G	27.4	Very low	29.5	Very low	70 Å²	70	150.3 Å²	150.3	72%	0.722	79%	0.793	S	S	*	*			trans	-64.2	97.1	-176.6	0	0	0	0	0	112	T19 Q23	T19-G21 PolarHBondContact O-N 3.42Å; G21-Q23 VanDerWaalsContact C-N 3.3Å; G21-Q23 PolarHBondContact O-N 3.49Å
22	L	25.7	Very low	29.6	Very low	157 Å²	157	146.5 Å²	146.5	82%	0.822	78%	0.78	S	S	*	*			trans	-68.9	92.6	156.5	-87	155.4	0	0	0	107.5	V20 H24	V20-L22 PolarHBondContact O-N 2.73Å; L22-H24 PolarHBondContact O-N 3.38Å; L22-H24 PolarHBondContact O-ND1 2.78Å
23	Q	26.8	Very low	29.5	Very low	165 Å²	165	145 Å²	145	77%	0.771	77%	0.771	S	S	*	*			trans	-52.6	105.7	165.9	-81.5	179.7	-17.2	0	0	108.3	G21 F25	G21-Q23 VanDerWaalsContact C-N 3.3Å; G21-Q23 PolarHBondContact O-N 3.49Å; Q23-F25 PolarHBondContact O-N 3.19Å
24	H	25.2	Very low	29.4	Very low	175 Å²	175	139.6 Å²	139.6	81%	0.81	75%	0.748	S	S	*	*			trans	-62.4	101.2	166.9	-87.9	45.8	0	0	0	107.9	L22 K26	L22-H24 PolarHBondContact O-N 3.38Å; L22-H24 PolarHBondContact O-ND1 2.78Å; H24-K26 PolarHBondContact O-N 3.33Å
25	F	25.1	Very low	29.3	Very low	184 Å²	184	136.9 Å²	136.9	81%	0.807	73%	0.734	S	S	*	*			trans	-61.4	107.8	164	-86.2	-89.3	0	0	0	108	Q23 P27	Q23-F25 PolarHBondContact O-N 3.19Å; F25-P27 WeakPolarHBondContact O-CD 3.26Å
26	K	24.6	Very low	29.5	Very low	190 Å²	190	134.2 Å²	134.2	83%	0.826	73%	0.727	S	S	*	*			trans	-61.3	123.2	167.9	-76.5	-175	177.4	-177.9	0	108.3	H24 T28	H24-K26 PolarHBondContact O-N 3.33Å; K26-T28 PolarHBondContact O-N 3.18Å; K26-T28 VanDerWaalsContact O-N 3.12Å
27	P	23.9	Very low	29.4	Very low	121 Å²	121	133.2 Å²	133.2	79%	0.786	72%	0.723	S	S	*	*			trans	-67.7	110	169.3	25.3	-28.9	0	0	0	108.3	F25 S29	F25-P27 WeakPolarHBondContact O-CD 3.26Å; P27-S29 PolarHBondContact O-N 2.99Å
28	T	26.1	Very low	29.2	Very low	131 Å²	131	129.7 Å²	129.7	80%	0.804	71%	0.713	S	S	*	*			trans	-69.5	99.6	176.3	46.4	0	0	0	0	109.9	K26 S30	K26-T28 PolarHBondContact O-N 3.18Å; K26-T28 VanDerWaalsContact O-N 3.12Å; T28-S30 PolarHBondContact O-N 3.32Å
29	S	26.7	Very low	29.1	Very low	94 Å²	94	123.4 Å²	123.4	66%	0.657	70%	0.699	S	S	*	*			trans	-70.1	93.7	170.2	60.8	0	0	0	0	110.1	P27 V31	P27-S29 PolarHBondContact O-N 2.99Å; S29-V31 PolarHBondContact O-N 2.85Å
30	S	28.8	Very low	29.6	Very low	58 Å²	58	122.1 Å²	122.1	41%	0.406	69%	0.691	S	S	.	*			trans	-46.5	15.5	163	136.1	0	0	0	0	120.7	T28 R468	T28-S30 PolarHBondContact O-N 3.32Å; S30-R468 PolarHBondContact O-NH2 3.14Å
31	V	31.1	Very low	29.9	Very low	94 Å²	94	124.3 Å²	124.3	57%	0.57	70%	0.698	S	S	*	*	S	Bend	trans	-75.8	135.1	165.5	-175.9	0	0	0	0	104.7	S29 V33	S29-V31 PolarHBondContact O-N 2.85Å; V31-V33 HydrophobicContact CB-CG2 4.23Å; V31-V33 HydrophobicContact CG1-CG2 3.85Å; V31-V33 PolarHBondContact O-N 3.45Å
32	C	33.9	Very low	30.7	Very low	82 Å²	82	124.9 Å²	124.9	55%	0.554	69%	0.687	S	S	*	*			trans	-67.8	70.7	166.8	-66.7	0	0	0	0	108.7
33	V	30.5	Very low	31.3	Very low	115 Å²	115	121.5 Å²	121.5	70%	0.697	68%	0.682	S	S	*	*			trans	-94.7	98.7	150.7	-176.5	0	0	0	0	102.4	V31 D35	V31-V33 HydrophobicContact CB-CG2 4.23Å; V31-V33 HydrophobicContact CG1-CG2 3.85Å; V31-V33 PolarHBondContact O-N 3.45Å; V33-D35 PolarHBondContact O-N 3.13Å; V33-D35 VanDerWaalsContact O-N 3.12Å
34	L	31.4	Very low	32.3	Very low	81 Å²	81	118.9 Å²	118.9	42%	0.424	68%	0.679	S	S	.	*			trans	-61.3	114.3	166.9	-71.4	166.4	0	0	0	106.1	P451 F452	L34-P451 HydrophobicContact CD2-CG 4.46Å; L34-F452 HydrophobicContact CD1-CE2 4.23Å
35	D	31	Very low	33.5	Very low	99 Å²	99	111.9 Å²	111.9	53%	0.529	65%	0.65	S	S	.	*			trans	-62.9	129.9	163	-147.6	-22.6	0	0	0	105.5	V33 K37 D38	V33-D35 PolarHBondContact O-N 3.13Å; V33-D35 VanDerWaalsContact O-N 3.12Å; D35-K37 PolarHBondContact O-N 2.94Å; D35-D38 PolarHBondContact O-N 3.28Å
36	P	34.6	Very low	34.9	Very low	115 Å²	115	114.2 Å²	114.2	75%	0.747	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	-14.5	-172.4	-27	34.4	0	0	0	114.8
37	K	32.7	Very low	36.5	Very low	190 Å²	190	108.6 Å²	108.6	83%	0.826	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-15	-177.8	-61.7	-176.8	179.5	-178.9	0	114.6	D35	D35-K37 PolarHBondContact O-N 2.94Å
38	D	34.3	Very low	38.3	Very low	124 Å²	124	104.2 Å²	104.2	66%	0.663	60%	0.602	S	S	*	*	S	Bend	trans	-95.1	0.4	-178.6	-69	-26.6	0	0	0	113.5	D35 T40	D35-D38 PolarHBondContact O-N 3.28Å; D38-T40 PolarHBondContact O-N 3.08Å; D38-T40 VanDerWaalsContact O-N 3.1Å
39	A	36.1	Very low	39.9	Very low	70 Å²	70	103.4 Å²	103.4	58%	0.579	59%	0.592	S	S	*	*			trans	-79.2	88	172.2	0	0	0	0	0	109.8
40	T	36.3	Very low	41.5	Very low	117 Å²	117	103.8 Å²	103.8	72%	0.718	59%	0.592	S	S	*	*			trans	-61	139	160.3	30.4	0	0	0	0	109	D38 V42	D38-T40 PolarHBondContact O-N 3.08Å; D38-T40 VanDerWaalsContact O-N 3.1Å; T40-V42 VanDerWaalsContact C-N 3.3Å; T40-V42 PolarHBondContact O-N 3.36Å
41	L	35.8	Very low	42.8	Very low	179 Å²	179	106.1 Å²	106.1	94%	0.937	61%	0.609	S	S	*	*			trans	-62.4	80.2	-173	-73.2	156.7	0	0	0	112
42	V	43	Very low	44.8	Very low	82 Å²	82	108.2 Å²	108.2	50%	0.497	61%	0.612	S	S	.	*			trans	-73.2	128.8	160.5	-177.8	0	0	0	0	107	T40 P44	T40-V42 VanDerWaalsContact C-N 3.3Å; T40-V42 PolarHBondContact O-N 3.36Å; V42-P44 VanDerWaalsContact O-CD 3.22Å; V42-P44 WeakPolarHBondContact O-CD 3.44Å
43	A	39.5	Very low	47.1	Very low	86 Å²	86	105.9 Å²	105.9	71%	0.711	60%	0.595	S	S	*	*			trans	-21.2	96.2	160.4	0	0	0	0	0	113.7	C45	A43-C45 PolarHBondContact O-N 3.5Å; A43-C45 VanDerWaalsContact O-N 3.16Å
44	P	46.7	Very low	49.9	Very low	109 Å²	109	105 Å²	105	71%	0.708	58%	0.584	S	S	*	*			trans	-59.8	129.5	174.9	20.7	-27.7	0	0	0	107	V42 R46	V42-P44 VanDerWaalsContact O-CD 3.22Å; V42-P44 WeakPolarHBondContact O-CD 3.44Å; P44-R46 PolarHBondContact O-N 3.29Å
45	C	50.9	Low	52.8	Low	29 Å²	29	104.4 Å²	104.4	20%	0.196	59%	0.586	C	S	.	*			trans	-54.4	120.3	169.4	-93.7	0	0	0	0	106.5	A43 H47 C114	A43-C45 PolarHBondContact O-N 3.5Å; A43-C45 VanDerWaalsContact O-N 3.16Å; C45-H47 PolarHBondContact O-CD2 3.35Å; C45-H47 PolarHBondContact O-N 2.96Å; C45-C114 HydrophobicContact CB-CB 3.45Å; C45-C114 VanDerWaalsContact CB-CB 3.45Å; C45-C114 WeakPolarHBondContact CB-SG 3.36Å; C45-C114 WeakPolarHBondContact SG-CB 3.43Å; C45-C114 CovalentContact SG-SG 2.03Å; C45-C114 PolarHBondContact SG-SG 3Å
46	R	55.3	Low	55.7	Low	232 Å²	232	101 Å²	101	88%	0.875	57%	0.568	S	S	*	*			trans	-57.8	111.4	172.4	-70.3	-175.3	179.2	-175.2	-0	105.5	P44	P44-R46 PolarHBondContact O-N 3.29Å
47	H	58.7	Low	58.4	Low	72 Å²	72	101.2 Å²	101.2	33%	0.333	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-93.8	123.2	171.2	-71.4	-62.2	0	0	0	106.4	C45 G407	C45-H47 PolarHBondContact O-CD2 3.35Å; C45-H47 PolarHBondContact O-N 2.96Å; H47-G407 WeakPolarHBondContact CA-O 3.46Å; H47-G407 PolarHBondContact CE1-N 3Å; H47-G407 WeakPolarHBondContact ND1-CA 3.5Å; H47-G407 PolarHBondContact ND1-N 3.47Å; H47-G407 VanDerWaalsContact ND1-N 3.19Å; H47-G407 PolarHBondContact ND1-O 3.34Å
48	S	60.9	Low	61.3	Low	29 Å²	29	94.2 Å²	94.2	20%	0.203	54%	0.538	C	S	.	.	P	Polyproline II helix	trans	-57.7	141.5	172.4	-70.7	0	0	0	0	110.3	G407 D408	S48-G407 PolarHBondContact N-O 3.3Å; S48-D408 WeakPolarHBondContact CB-OD1 2.98Å; S48-D408 PolarHBondContact N-OD1 3.48Å; S48-D408 PolarHBondContact OG-OD1 3.32Å
49	L	60.3	Low	64.3	Low	114 Å²	114	88.8 Å²	88.8	60%	0.597	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-59	149.7	169.1	-73.4	166.6	0	0	0	109	S51 Q52 T53	L49-S51 PolarHBondContact O-N 3.4Å; L49-Q52 PolarHBondContact O-N 2.97Å; L49-T53 PolarHBondContact O-N 2.99Å
50	P	59.9	Low	67.2	Low	102 Å²	102	87.5 Å²	87.5	66%	0.662	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-52.8	-25.7	179.9	-27.1	34.5	0	0	0	114.5	Q52 T53	P50-Q52 VanDerWaalsContact C-N 3.3Å; P50-Q52 PolarHBondContact O-N 2.89Å; P50-T53 PolarHBondContact O-OG1 3.04Å; P50-T53 VanDerWaalsContact O-OG1 3.12Å
51	S	55.1	Low	70	Confident	108 Å²	108	83.3 Å²	83.3	76%	0.755	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-77.8	-6.9	176.2	56.4	0	0	0	0	114.9	L49	L49-S51 PolarHBondContact O-N 3.4Å
52	Q	73.8	Confident	72.8	Confident	137 Å²	137	75.2 Å²	75.2	64%	0.64	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-125.5	7.1	-178.1	-66.9	-178.8	-7.8	0	0	112.6	L49 P50	L49-Q52 PolarHBondContact O-N 2.97Å; P50-Q52 VanDerWaalsContact C-N 3.3Å; P50-Q52 PolarHBondContact O-N 2.89Å
53	T	83.3	Confident	75.2	Confident	33 Å²	33	75.1 Å²	75.1	20%	0.202	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-77.9	142.8	-179.7	53.1	0	0	0	0	112.2	L49 P50 V405 D408	L49-T53 PolarHBondContact O-N 2.99Å; P50-T53 PolarHBondContact O-OG1 3.04Å; P50-T53 VanDerWaalsContact O-OG1 3.12Å; T53-V405 HydrophobicContact CG2-CB 4.34Å; T53-V405 HydrophobicContact CG2-CG1 3.5Å; T53-V405 VanDerWaalsContact CG2-CG1 3.5Å; T53-V405 HydrophobicContact CG2-CG2 3.89Å; T53-D408 CarbonylContact C-O 3.53Å; T53-D408 VanDerWaalsContact CA-O 3.26Å; T53-D408 WeakPolarHBondContact CA-O 3.39Å
54	Q	89.4	Confident	77.6	Confident	98 Å²	98	75.9 Å²	75.9	46%	0.458	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-84.2	160	173.7	-48.9	-179.7	-11.1	0	0	111.1	S58 D408 Y409 S410	Q54-S58 WeakPolarHBondContact CB-OG 3.3Å; Q54-S58 PolarHBondContact OE1-OG 3.3Å; Q54-D408 PolarHBondContact N-O 3.02Å; Q54-Y409 HydrophobicContact CB-CD1 3.98Å; Q54-Y409 HydrophobicContact CB-CE1 4.17Å; Q54-Y409 WeakPolarHBondContact O-CA 3.17Å; Q54-S410 PolarHBondContact O-N 3.43Å
55	S	91.9	Very high	79.6	Confident	67 Å²	67	76.6 Å²	76.6	47%	0.469	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-76.3	166.5	-178	68.1	0	0	0	0	112.8	D57 S58	S55-D57 PolarHBondContact O-N 3.03Å; S55-S58 PolarHBondContact N-OG 2.89Å; S55-S58 PolarHBondContact O-N 3.01Å; S55-S58 VanDerWaalsContact O-N 3.07Å; S55-S58 PolarHBondContact O-OG 3.19Å
56	L	91.5	Very high	81.4	Confident	28 Å²	28	80.3 Å²	80.3	15%	0.147	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-53.8	-35.3	174.5	-175.9	70	0	0	0	113.1	S58 I59 V108 I411 P412 T415	L56-S58 VanDerWaalsContact C-N 3.25Å; L56-S58 PolarHBondContact O-N 3.2Å; L56-I59 HydrophobicContact CD1-CD1 3.89Å; L56-I59 WeakPolarHBondContact O-CG1 3.43Å; L56-I59 PolarHBondContact O-N 2.75Å; L56-V108 HydrophobicContact CD1-CG2 3.77Å; L56-I411 HydrophobicContact CD1-CG2 4.2Å; L56-P412 HydrophobicContact CD2-CG 4.48Å; L56-T415 HydrophobicContact CD1-CG2 4.49Å
57	D	91.3	Very high	82.6	Confident	119 Å²	119	76.9 Å²	76.9	64%	0.636	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-71.7	-18	-178.7	-63.9	-43.1	0	0	0	114.2	S55 R99	S55-D57 PolarHBondContact O-N 3.03Å; D57-R99 IonicContact OD1-CZ 3.73Å; D57-R99 IonicContact OD1-NH1 2.97Å; D57-R99 PolarHBondContact OD1-NH1 3.29Å; D57-R99 IonicContact OD1-NH2 3.26Å; D57-R99 PolarHBondContact OD1-NH2 3.44Å
58	S	94	Very high	83.9	Confident	44 Å²	44	78.6 Å²	78.6	31%	0.308	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-83.9	-9.6	176.7	69.7	0	0	0	0	113.9	Q54 S55 L56 Y409	Q54-S58 WeakPolarHBondContact CB-OG 3.3Å; Q54-S58 PolarHBondContact OE1-OG 3.3Å; S55-S58 PolarHBondContact N-OG 2.89Å; S55-S58 PolarHBondContact O-N 3.01Å; S55-S58 VanDerWaalsContact O-N 3.07Å; S55-S58 PolarHBondContact O-OG 3.19Å; L56-S58 VanDerWaalsContact C-N 3.25Å; L56-S58 PolarHBondContact O-N 3.2Å; S58-Y409 WeakPolarHBondContact OG-CD1 2.87Å; S58-Y409 WeakPolarHBondContact OG-CE1 3.49Å
59	I	96.3	Very high	85.2	Confident	10 Å²	10	77.2 Å²	77.2	5%	0.051	43%	0.432	C	S	.	.	S	Bend	trans	-65.4	126.5	177.2	-61.1	-178.6	0	0	0	108.3	L56 I97 R99 V108 Y409 I411	L56-I59 HydrophobicContact CD1-CD1 3.89Å; L56-I59 WeakPolarHBondContact O-CG1 3.43Å; L56-I59 PolarHBondContact O-N 2.75Å; I59-I97 HydrophobicContact CD1-CD1 4.22Å; I59-I97 HydrophobicContact CG2-CG1 4.19Å; I59-R99 HydrophobicContact CB-CB 3.97Å; I59-R99 HydrophobicContact CG2-CB 3.75Å; I59-V108 HydrophobicContact CD1-CG1 4.09Å; I59-V108 HydrophobicContact CD1-CG2 4.03Å; I59-Y409 HydrophobicContact CB-CD1 4.42Å; I59-Y409 HydrophobicContact CB-CE1 4.36Å; I59-Y409 HydrophobicContact CD1-CD1 4.34Å; I59-Y409 HydrophobicContact CD1-CG 4.07Å; I59-Y409 HydrophobicContact CG1-CD1 3.38Å; I59-Y409 HydrophobicContact CG1-CD2 4.09Å; I59-Y409 HydrophobicContact CG1-CE1 3.78Å; I59-Y409 HydrophobicContact CG1-CE2 4.43Å; I59-Y409 HydrophobicContact CG1-CG 3.54Å; I59-I411 HydrophobicContact CD1-CG1 4.45Å
60	P	96.6	Very high	86.7	Confident	43 Å²	43	71.9 Å²	71.9	28%	0.279	40%	0.404	S	S	.	.			trans	-64.1	158.4	179.8	29	-36.7	0	0	0	111.1	F94 F98 R99 Y409	P60-F94 HydrophobicContact CB-CB 4.19Å; P60-F94 HydrophobicContact CB-CD1 4.09Å; P60-F94 HydrophobicContact CB-CG 4.49Å; P60-F94 HydrophobicContact CG-CB 4.23Å; P60-F98 CarbonylContact O-C 3.58Å; P60-F98 WeakPolarHBondContact O-CA 3.5Å; P60-F98 VanDerWaalsContact O-CB 3.23Å; P60-F98 WeakPolarHBondContact O-CB 3.11Å; P60-R99 PolarHBondContact O-N 2.96Å; P60-Y409 WeakPolarHBondContact CD-OH 3.4Å
61	G	96.1	Very high	87.9	Confident	29 Å²	29	69.5 Å²	69.5	30%	0.299	39%	0.386	S	S	.	.			trans	-173.7	168.1	179.4	0	0	0	0	0	114.1	F94 R99	G61-F94 VanDerWaalsContact O-CE1 3.26Å; G61-F94 WeakPolarHBondContact O-CE1 3.29Å; G61-F94 VanDerWaalsContact O-CZ 3.24Å; G61-F94 WeakPolarHBondContact O-CZ 3.31Å; G61-R99 VanDerWaalsContact CA-O 3.29Å; G61-R99 WeakPolarHBondContact CA-O 3.26Å
62	P	94.7	Very high	89.5	Confident	9 Å²	9	67.3 Å²	67.3	6%	0.058	37%	0.365	C	S	.	.	S	Bend	trans	-58.4	162.8	169.8	24.4	-33.7	0	0	0	112.1	N64 S70 E73 Y90 F94 R99 M100	P62-N64 PolarHBondContact O-N 2.97Å; P62-S70 VanDerWaalsContact CG-OG 3.3Å; P62-S70 WeakPolarHBondContact CG-OG 3.46Å; P62-E73 WeakPolarHBondContact CB-OE2 3.32Å; P62-Y90 HydrophobicContact CB-CD1 4.47Å; P62-Y90 HydrophobicContact CB-CE1 3.95Å; P62-Y90 HydrophobicContact CB-CE2 4.35Å; P62-Y90 HydrophobicContact CG-CD2 4.34Å; P62-Y90 HydrophobicContact CG-CE1 4.44Å; P62-Y90 HydrophobicContact CG-CE2 4.07Å; P62-F94 HydrophobicContact CB-CE2 4.2Å; P62-F94 HydrophobicContact CB-CZ 4.42Å; P62-F94 HydrophobicContact CG-CE2 4.48Å; P62-F94 VanDerWaalsContact N-CE2 3.34Å; P62-R99 WeakPolarHBondContact CD-O 3.37Å; P62-M100 HydrophobicContact CG-CB 4.19Å; P62-M100 HydrophobicContact CG-CG 3.87Å; P62-M100 HydrophobicContact CG-SD 4.26Å
63	T	92.4	Very high	90.3	Very high	80 Å²	80	62.5 Å²	62.5	49%	0.491	34%	0.342	S	S	.	.			trans	-59.1	130.6	-176.1	-56.6	0	0	0	0	110.4	W65 S70	T63-W65 HydrophobicContact CG2-CD2 4.44Å; T63-W65 HydrophobicContact CG2-CG 4.38Å; T63-W65 PolarHBondContact O-N 2.84Å; T63-S70 PolarHBondContact O-OG 3.04Å; T63-S70 VanDerWaalsContact O-OG 3.08Å
64	N	90.9	Very high	90.6	Very high	102 Å²	102	61 Å²	61	55%	0.545	33%	0.333	S	S	.	.			trans	-96	85.6	178.3	-175.4	18.7	0	0	0	109.6	P62 G69	P62-N64 PolarHBondContact O-N 2.97Å; N64-G69 VanDerWaalsContact OD1-CA 3.32Å; N64-G69 WeakPolarHBondContact OD1-CA 3.35Å
65	W	88.6	Confident	90.6	Very high	124 Å²	124	61.6 Å²	61.6	47%	0.47	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-67.8	145	178.9	-65.3	83.4	0	0	0	111.2	T63 L67 F68 G69 I72	T63-W65 HydrophobicContact CG2-CD2 4.44Å; T63-W65 HydrophobicContact CG2-CG 4.38Å; T63-W65 PolarHBondContact O-N 2.84Å; W65-L67 PolarHBondContact O-N 3.3Å; W65-F68 PolarHBondContact O-N 2.86Å; W65-G69 WeakPolarHBondContact CB-O 3.44Å; W65-G69 VanDerWaalsContact CD1-O 3.31Å; W65-G69 PolarHBondContact N-O 3.41Å; W65-G69 VanDerWaalsContact N-O 3.16Å; W65-G69 WeakPolarHBondContact O-CA 3.41Å; W65-G69 PolarHBondContact O-N 3.39Å; W65-I72 HydrophobicContact CB-CD1 4.05Å; W65-I72 HydrophobicContact CD2-CD1 4.25Å; W65-I72 HydrophobicContact CG-CD1 4.01Å
66	P	87.7	Confident	90.6	Very high	107 Å²	107	65.5 Å²	65.5	70%	0.695	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	132.2	176.5	-26.7	34.7	0	0	0	111.8	F68	P66-F68 WeakPolarHBondContact O-CD2 3.48Å; P66-F68 PolarHBondContact O-N 2.79Å
67	L	82.4	Confident	90.6	Very high	159 Å²	159	68 Å²	68	83%	0.832	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	-35.2	-178.1	-57.2	171.2	0	0	0	116.9	W65	W65-L67 PolarHBondContact O-N 3.3Å
68	F	84.1	Confident	90.5	Very high	108 Å²	108	64.3 Å²	64.3	47%	0.474	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-17.7	-173.4	-61.2	-75.8	0	0	0	114	W65 P66 S70 L71 I72 G103	W65-F68 PolarHBondContact O-N 2.86Å; P66-F68 WeakPolarHBondContact O-CD2 3.48Å; P66-F68 PolarHBondContact O-N 2.79Å; F68-S70 PolarHBondContact O-N 3.41Å; F68-L71 HydrophobicContact CB-CB 4.46Å; F68-L71 WeakPolarHBondContact O-CB 3.18Å; F68-L71 PolarHBondContact O-N 3.38Å; F68-I72 HydrophobicContact CB-CD1 4.15Å; F68-I72 HydrophobicContact CB-CG1 4.06Å; F68-I72 HydrophobicContact CD2-CD1 4.24Å; F68-I72 HydrophobicContact CG-CD1 4.39Å; F68-I72 HydrophobicContact CG-CG1 4.47Å; F68-G103 PolarHBondContact O-N 3.4Å; F68-G103 VanDerWaalsContact O-N 3.07Å
69	G	89.1	Confident	90.3	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.01	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	56.9	-133.6	-171.2	0	0	0	0	0	111.3	N64 W65 L71 K101	N64-G69 VanDerWaalsContact OD1-CA 3.32Å; N64-G69 WeakPolarHBondContact OD1-CA 3.35Å; W65-G69 WeakPolarHBondContact CB-O 3.44Å; W65-G69 VanDerWaalsContact CD1-O 3.31Å; W65-G69 PolarHBondContact N-O 3.41Å; W65-G69 VanDerWaalsContact N-O 3.16Å; W65-G69 WeakPolarHBondContact O-CA 3.41Å; W65-G69 PolarHBondContact O-N 3.39Å; G69-L71 VanDerWaalsContact C-N 3.27Å; G69-L71 PolarHBondContact O-N 3.03Å; G69-K101 CarbonylContact C-O 3.57Å; G69-K101 WeakPolarHBondContact CA-O 3.45Å
70	S	90.9	Very high	89.9	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.007	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	8.9	-179.8	-45.4	0	0	0	0	113.3	P62 T63 F68 I72 E73 L74 K101	P62-S70 VanDerWaalsContact CG-OG 3.3Å; P62-S70 WeakPolarHBondContact CG-OG 3.46Å; T63-S70 PolarHBondContact O-OG 3.04Å; T63-S70 VanDerWaalsContact O-OG 3.08Å; F68-S70 PolarHBondContact O-N 3.41Å; S70-I72 VanDerWaalsContact C-N 3.28Å; S70-I72 PolarHBondContact O-N 3.13Å; S70-E73 PolarHBondContact O-N 2.6Å; S70-L74 WeakPolarHBondContact O-CB 3.08Å; S70-L74 PolarHBondContact O-N 3.19Å; S70-K101 PolarHBondContact N-O 2.93Å
71	L	87	Confident	89.6	Confident	52 Å²	52	70.2 Å²	70.2	27%	0.272	38%	0.378	S	S	.	.	H	α-helix	trans	-61.7	-37	179.7	-174.9	62.3	0	0	0	111.9	F68 G69 L74 L75 L102	F68-L71 HydrophobicContact CB-CB 4.46Å; F68-L71 WeakPolarHBondContact O-CB 3.18Å; F68-L71 PolarHBondContact O-N 3.38Å; G69-L71 VanDerWaalsContact C-N 3.27Å; G69-L71 PolarHBondContact O-N 3.03Å; L71-L74 PolarHBondContact O-N 3.11Å; L71-L75 HydrophobicContact CG-CD1 4.26Å; L71-L75 HydrophobicContact CG-CG 4.49Å; L71-L75 WeakPolarHBondContact O-CB 3.06Å; L71-L75 VanDerWaalsContact O-CG 3.26Å; L71-L75 WeakPolarHBondContact O-CG 3.48Å; L71-L75 PolarHBondContact O-N 2.75Å; L71-L102 HydrophobicContact CB-CD2 4.34Å
72	I	87.8	Confident	89.5	Confident	62 Å²	62	71.3 Å²	71.3	32%	0.318	37%	0.373	S	S	.	.	H	α-helix	trans	-62.9	-48.3	177.4	-61	173.6	0	0	0	110.5	W65 F68 S70 L74 L75 L76	W65-I72 HydrophobicContact CB-CD1 4.05Å; W65-I72 HydrophobicContact CD2-CD1 4.25Å; W65-I72 HydrophobicContact CG-CD1 4.01Å; F68-I72 HydrophobicContact CB-CD1 4.15Å; F68-I72 HydrophobicContact CB-CG1 4.06Å; F68-I72 HydrophobicContact CD2-CD1 4.24Å; F68-I72 HydrophobicContact CG-CD1 4.39Å; F68-I72 HydrophobicContact CG-CG1 4.47Å; S70-I72 VanDerWaalsContact C-N 3.28Å; S70-I72 PolarHBondContact O-N 3.13Å; I72-L74 VanDerWaalsContact C-N 3.29Å; I72-L74 PolarHBondContact O-N 2.97Å; I72-L75 PolarHBondContact O-N 2.85Å; I72-L76 HydrophobicContact CG2-CD1 4.43Å; I72-L76 WeakPolarHBondContact O-CG 3.47Å; I72-L76 PolarHBondContact O-N 3.47Å
73	E	90.2	Very high	89.5	Confident	36 Å²	36	71.9 Å²	71.9	17%	0.168	38%	0.375	C	S	.	.	H	α-helix	trans	-62	-38.9	177.2	-169.7	175.5	170.5	0	0	111.4	P62 S70 L76 K77 Y90	P62-E73 WeakPolarHBondContact CB-OE2 3.32Å; S70-E73 PolarHBondContact O-N 2.6Å; E73-L76 PolarHBondContact O-N 2.91Å; E73-K77 PolarHBondContact O-N 3.28Å; E73-K77 VanDerWaalsContact O-N 3.12Å; E73-Y90 WeakPolarHBondContact CG-OH 3.25Å; E73-Y90 WeakPolarHBondContact OE1-CE1 3.25Å
74	L	89.8	Confident	89.6	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-64.6	-42	175.6	-173.3	63.3	0	0	0	112.2	S70 L71 I72 K77 G78 G79 L80 Q83 A86 L102	S70-L74 WeakPolarHBondContact O-CB 3.08Å; S70-L74 PolarHBondContact O-N 3.19Å; L71-L74 PolarHBondContact O-N 3.11Å; I72-L74 VanDerWaalsContact C-N 3.29Å; I72-L74 PolarHBondContact O-N 2.97Å; L74-K77 CarbonylContact O-C 3.47Å; L74-K77 PolarHBondContact O-N 3.39Å; L74-K77 VanDerWaalsContact O-N 3.14Å; L74-G78 PolarHBondContact O-N 3.16Å; L74-G79 WeakPolarHBondContact O-CA 3.45Å; L74-G79 PolarHBondContact O-N 3.14Å; L74-L80 HydrophobicContact CD2-CD2 3.86Å; L74-Q83 HydrophobicContact CD1-CB 4.03Å; L74-Q83 HydrophobicContact CD1-CG 4.08Å; L74-Q83 HydrophobicContact CD2-CG 4.41Å; L74-A86 HydrophobicContact CD1-CB 3.8Å; L74-L102 HydrophobicContact CD2-CD1 4.2Å; L74-L102 HydrophobicContact CD2-CD2 4.03Å
75	L	90.1	Very high	89.8	Confident	111 Å²	111	66.3 Å²	66.3	58%	0.581	34%	0.342	S	S	*	.	H	α-helix	trans	-62.4	-42.1	175.9	-72.8	170.4	0	0	0	111.5	L71 I72 K77 G78 G79	L71-L75 HydrophobicContact CG-CD1 4.26Å; L71-L75 HydrophobicContact CG-CG 4.49Å; L71-L75 WeakPolarHBondContact O-CB 3.06Å; L71-L75 VanDerWaalsContact O-CG 3.26Å; L71-L75 WeakPolarHBondContact O-CG 3.48Å; L71-L75 PolarHBondContact O-N 2.75Å; I72-L75 PolarHBondContact O-N 2.85Å; L75-K77 PolarHBondContact O-N 2.59Å; L75-G78 PolarHBondContact O-N 3.2Å; L75-G78 VanDerWaalsContact O-N 3.11Å; L75-G79 PolarHBondContact O-N 3.22Å
76	L	91	Very high	90.2	Very high	149 Å²	149	60.4 Å²	60.4	78%	0.78	32%	0.32	S	S	*	.	H	α-helix	trans	-63.2	-26.9	174.4	-67.2	173.4	0	0	0	112.9	I72 E73 G78	I72-L76 HydrophobicContact CG2-CD1 4.43Å; I72-L76 WeakPolarHBondContact O-CG 3.47Å; I72-L76 PolarHBondContact O-N 3.47Å; E73-L76 PolarHBondContact O-N 2.91Å; L76-G78 VanDerWaalsContact C-N 3.3Å; L76-G78 PolarHBondContact O-N 3.03Å
77	K	91.2	Very high	90.6	Very high	79 Å²	79	55.6 Å²	55.6	34%	0.343	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	16.9	175.1	-73.8	179.6	168.5	-74.1	0	114	E73 L74 L75 R82 A86 D89	E73-K77 PolarHBondContact O-N 3.28Å; E73-K77 VanDerWaalsContact O-N 3.12Å; L74-K77 CarbonylContact O-C 3.47Å; L74-K77 PolarHBondContact O-N 3.39Å; L74-K77 VanDerWaalsContact O-N 3.14Å; L75-K77 PolarHBondContact O-N 2.59Å; K77-R82 VanDerWaalsContact O-CB 3.29Å; K77-R82 WeakPolarHBondContact O-CB 3.36Å; K77-A86 HydrophobicContact CB-CB 4.42Å; K77-A86 HydrophobicContact CD-CB 3.83Å; K77-D89 IonicContact NZ-OD2 2.71Å; K77-D89 PolarHBondContact NZ-OD2 3.16Å
78	G	89.9	Confident	91.3	Very high	43 Å²	43	49 Å²	49	44%	0.443	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.4	14.5	178.8	0	0	0	0	0	114.8	L74 L75 L76	L74-G78 PolarHBondContact O-N 3.16Å; L75-G78 PolarHBondContact O-N 3.2Å; L75-G78 VanDerWaalsContact O-N 3.11Å; L76-G78 VanDerWaalsContact C-N 3.3Å; L76-G78 PolarHBondContact O-N 3.03Å
79	G	89.8	Confident	91.9	Very high	9 Å²	9	46.9 Å²	46.9	9%	0.093	25%	0.247	C	C	.	.			trans	70.5	-163	172.5	0	0	0	0	0	114.7	L74 L75 Q81 R82 Q83	L74-G79 WeakPolarHBondContact O-CA 3.45Å; L74-G79 PolarHBondContact O-N 3.14Å; L75-G79 PolarHBondContact O-N 3.22Å; G79-Q81 PolarHBondContact O-N 2.77Å; G79-R82 PolarHBondContact O-N 3.48Å; G79-Q83 PolarHBondContact O-N 3.42Å
80	L	87.9	Confident	92.3	Very high	94 Å²	94	47 Å²	47	49%	0.492	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-59.5	-32.2	-177.1	-68	173.6	0	0	0	112.5	L74 R82 Q83	L74-L80 HydrophobicContact CD2-CD2 3.86Å; L80-R82 PolarHBondContact O-N 3.28Å; L80-Q83 WeakPolarHBondContact O-CB 3.42Å; L80-Q83 PolarHBondContact O-N 3.22Å
81	Q	90.2	Very high	92.6	Very high	118 Å²	118	47.8 Å²	47.8	55%	0.551	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-62	-28	176.7	-69.6	-178	-16.4	0	0	112.8	G79 H84 I498 H499	G79-Q81 PolarHBondContact O-N 2.77Å; Q81-H84 PolarHBondContact O-CE1 3.1Å; Q81-H84 VanDerWaalsContact O-CE1 3.23Å; Q81-I498 CarbonylContact O-C 3.56Å; Q81-H499 PolarHBondContact O-N 2.92Å
82	R	93.7	Very high	93	Very high	52 Å²	52	52.8 Å²	52.8	20%	0.196	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-109.5	13.6	179.7	-59	-58.2	-176.6	148	15.5	113.3	K77 G79 L80 H84 N85 A86 E496 T497	K77-R82 VanDerWaalsContact O-CB 3.29Å; K77-R82 WeakPolarHBondContact O-CB 3.36Å; G79-R82 PolarHBondContact O-N 3.48Å; L80-R82 PolarHBondContact O-N 3.28Å; R82-H84 PolarHBondContact O-N 3.36Å; R82-H84 VanDerWaalsContact O-N 3.16Å; R82-N85 WeakPolarHBondContact O-CB 3.34Å; R82-N85 PolarHBondContact O-N 2.94Å; R82-A86 PolarHBondContact O-N 2.77Å; R82-E496 IonicContact CZ-OE2 3.16Å; R82-E496 VanDerWaalsContact NH1-CB 3.29Å; R82-E496 IonicContact NH1-OE2 2.81Å; R82-E496 PolarHBondContact NH1-OE2 3.4Å; R82-E496 IonicContact NH2-OE2 3.33Å; R82-E496 PolarHBondContact NH2-OE2 3.39Å; R82-T497 PolarHBondContact NH1-O 2.96Å
83	Q	94.1	Very high	93.4	Very high	20 Å²	20	56.4 Å²	56.4	9%	0.093	28%	0.284	C	S	.	.	H	α-helix	trans	-55.4	-38.8	-176.8	-179.7	-179.4	1.6	0	0	113.1	L74 G79 L80 N85 A86 L87	L74-Q83 HydrophobicContact CD1-CB 4.03Å; L74-Q83 HydrophobicContact CD1-CG 4.08Å; L74-Q83 HydrophobicContact CD2-CG 4.41Å; G79-Q83 PolarHBondContact O-N 3.42Å; L80-Q83 WeakPolarHBondContact O-CB 3.42Å; L80-Q83 PolarHBondContact O-N 3.22Å; Q83-N85 VanDerWaalsContact C-N 3.25Å; Q83-N85 PolarHBondContact O-N 3.1Å; Q83-A86 WeakPolarHBondContact O-CB 3.44Å; Q83-A86 PolarHBondContact O-N 3.42Å; Q83-A86 VanDerWaalsContact O-N 3.14Å; Q83-L87 HydrophobicContact CG-CD1 4.14Å; Q83-L87 HydrophobicContact CG-CG 4.15Å; Q83-L87 VanDerWaalsContact O-CG 3.3Å; Q83-L87 WeakPolarHBondContact O-CG 3.33Å; Q83-L87 PolarHBondContact O-N 3.04Å
84	H	95.3	Very high	93.7	Very high	3 Å²	3	56.7 Å²	56.7	1%	0.014	28%	0.284	C	S	.	.	H	α-helix	trans	-58.4	-35.2	178.6	57.7	-83.7	0	0	0	113.1	Q81 R82 I88 P394 H422 T497 L503	Q81-H84 PolarHBondContact O-CE1 3.1Å; Q81-H84 VanDerWaalsContact O-CE1 3.23Å; R82-H84 PolarHBondContact O-N 3.36Å; R82-H84 VanDerWaalsContact O-N 3.16Å; H84-I88 WeakPolarHBondContact O-CG1 3.48Å; H84-I88 PolarHBondContact O-N 2.62Å; H84-P394 HydrophobicContact CB-CB 4.1Å; H84-H422 AromaticContact CD2-CE1 3.91Å; H84-H422 AromaticContact CD2-ND1 3.99Å; H84-T497 PolarHBondContact CD2-OG1 3.22Å; H84-T497 PolarHBondContact CE1-O 3.33Å; H84-T497 PolarHBondContact NE2-O 3.25Å; H84-T497 PolarHBondContact NE2-OG1 2.93Å; H84-L503 HydrophobicContact CB-CD1 4.49Å; H84-L503 HydrophobicContact CB-CD2 4.05Å; H84-L503 WeakPolarHBondContact ND1-CD2 3.5Å
85	N	95.9	Very high	93.9	Very high	62 Å²	62	58.1 Å²	58.1	33%	0.332	30%	0.3	S	S	.	.	H	α-helix	trans	-71.7	-43.4	174.9	-67.3	-22	0	0	0	111.1	R82 Q83 L87 I88 D89	R82-N85 WeakPolarHBondContact O-CB 3.34Å; R82-N85 PolarHBondContact O-N 2.94Å; Q83-N85 VanDerWaalsContact C-N 3.25Å; Q83-N85 PolarHBondContact O-N 3.1Å; N85-L87 VanDerWaalsContact C-N 3.27Å; N85-L87 PolarHBondContact O-N 2.9Å; N85-I88 WeakPolarHBondContact O-CB 3.47Å; N85-I88 PolarHBondContact O-N 3.33Å; N85-I88 VanDerWaalsContact O-N 3.11Å; N85-D89 PolarHBondContact O-N 2.88Å
86	A	95.9	Very high	94.2	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.008	29%	0.288	C	S	.	.	H	α-helix	trans	-58.8	-39.3	174.8	0	0	0	0	0	112	L74 K77 R82 Q83 I88 D89 Y90	L74-A86 HydrophobicContact CD1-CB 3.8Å; K77-A86 HydrophobicContact CB-CB 4.42Å; K77-A86 HydrophobicContact CD-CB 3.83Å; R82-A86 PolarHBondContact O-N 2.77Å; Q83-A86 WeakPolarHBondContact O-CB 3.44Å; Q83-A86 PolarHBondContact O-N 3.42Å; Q83-A86 VanDerWaalsContact O-N 3.14Å; A86-I88 VanDerWaalsContact C-N 3.34Å; A86-I88 PolarHBondContact O-N 2.9Å; A86-D89 PolarHBondContact O-N 2.77Å; A86-Y90 HydrophobicContact CB-CE2 4.19Å; A86-Y90 WeakPolarHBondContact O-CB 3.23Å; A86-Y90 VanDerWaalsContact O-CD2 3.28Å; A86-Y90 WeakPolarHBondContact O-CD2 3.5Å; A86-Y90 PolarHBondContact O-N 3.4Å
87	L	96.8	Very high	94.5	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-65.7	-34.1	176.5	-65.5	176	0	0	0	112.7	Q83 N85 Y90 H91 F98 M100 F395	Q83-L87 HydrophobicContact CG-CD1 4.14Å; Q83-L87 HydrophobicContact CG-CG 4.15Å; Q83-L87 VanDerWaalsContact O-CG 3.3Å; Q83-L87 WeakPolarHBondContact O-CG 3.33Å; Q83-L87 PolarHBondContact O-N 3.04Å; N85-L87 VanDerWaalsContact C-N 3.27Å; N85-L87 PolarHBondContact O-N 2.9Å; L87-Y90 HydrophobicContact CD2-CD2 4.49Å; L87-H91 PolarHBondContact O-CD2 2.86Å; L87-H91 VanDerWaalsContact O-CD2 3.29Å; L87-H91 PolarHBondContact O-N 2.97Å; L87-H91 VanDerWaalsContact O-N 3.08Å; L87-F98 HydrophobicContact CD2-CE2 4.45Å; L87-F98 HydrophobicContact CD2-CZ 3.77Å; L87-M100 HydrophobicContact CD2-CE 4.26Å; L87-F395 HydrophobicContact CD1-CD1 3.59Å; L87-F395 HydrophobicContact CD1-CE1 3.77Å
88	I	96.8	Very high	94.8	Very high	20 Å²	20	46.4 Å²	46.4	10%	0.103	24%	0.238	C	C	.	.	H	α-helix	trans	-64.3	-49.1	172.1	-67.8	165.7	0	0	0	109.8	H84 N85 A86 Y90 H91 K92 A423 A426	H84-I88 WeakPolarHBondContact O-CG1 3.48Å; H84-I88 PolarHBondContact O-N 2.62Å; N85-I88 WeakPolarHBondContact O-CB 3.47Å; N85-I88 PolarHBondContact O-N 3.33Å; N85-I88 VanDerWaalsContact O-N 3.11Å; A86-I88 VanDerWaalsContact C-N 3.34Å; A86-I88 PolarHBondContact O-N 2.9Å; I88-Y90 VanDerWaalsContact C-N 3.31Å; I88-Y90 PolarHBondContact O-N 3.28Å; I88-H91 PolarHBondContact O-N 3.05Å; I88-K92 HydrophobicContact CG2-CD 4.33Å; I88-K92 WeakPolarHBondContact O-CG 3.38Å; I88-K92 PolarHBondContact O-N 2.88Å; I88-A423 HydrophobicContact CG1-CB 3.97Å; I88-A426 HydrophobicContact CD1-CB 4.22Å
89	D	96.2	Very high	95.2	Very high	65 Å²	65	46.9 Å²	46.9	35%	0.348	23%	0.227	S	C	.	.	H	α-helix	trans	-59.4	-42	178.2	-69.2	-14.1	0	0	0	112	K77 N85 A86 K92 K93	K77-D89 IonicContact NZ-OD2 2.71Å; K77-D89 PolarHBondContact NZ-OD2 3.16Å; N85-D89 PolarHBondContact O-N 2.88Å; A86-D89 PolarHBondContact O-N 2.77Å; D89-K92 WeakPolarHBondContact O-CB 3.17Å; D89-K92 PolarHBondContact O-N 3.12Å; D89-K93 WeakPolarHBondContact O-CB 3.37Å; D89-K93 PolarHBondContact O-N 2.71Å
90	Y	97.3	Very high	95.4	Very high	3 Å²	3	46.7 Å²	46.7	1%	0.012	22%	0.223	C	C	.	.	H	α-helix	trans	-66.1	-38.2	178	-65.7	-24.7	0	0	0	112.4	P62 E73 A86 L87 I88 K92 K93 F94 F98 M100	P62-Y90 HydrophobicContact CB-CD1 4.47Å; P62-Y90 HydrophobicContact CB-CE1 3.95Å; P62-Y90 HydrophobicContact CB-CE2 4.35Å; P62-Y90 HydrophobicContact CG-CD2 4.34Å; P62-Y90 HydrophobicContact CG-CE1 4.44Å; P62-Y90 HydrophobicContact CG-CE2 4.07Å; E73-Y90 WeakPolarHBondContact CG-OH 3.25Å; E73-Y90 WeakPolarHBondContact OE1-CE1 3.25Å; A86-Y90 HydrophobicContact CB-CE2 4.19Å; A86-Y90 WeakPolarHBondContact O-CB 3.23Å; A86-Y90 VanDerWaalsContact O-CD2 3.28Å; A86-Y90 WeakPolarHBondContact O-CD2 3.5Å; A86-Y90 PolarHBondContact O-N 3.4Å; L87-Y90 HydrophobicContact CD2-CD2 4.49Å; I88-Y90 VanDerWaalsContact C-N 3.31Å; I88-Y90 PolarHBondContact O-N 3.28Å; Y90-K92 VanDerWaalsContact C-N 3.33Å; Y90-K93 PolarHBondContact O-N 3.24Å; Y90-F94 HydrophobicContact CD1-CD2 4.32Å; Y90-F94 AromaticContact CD1-CE2 3.75Å; Y90-F94 HydrophobicContact CD1-CE2 3.75Å; Y90-F94 HydrophobicContact CE1-CE2 4.47Å; Y90-F94 HydrophobicContact CG-CD2 4.39Å; Y90-F94 HydrophobicContact CG-CE2 4.2Å; Y90-F94 WeakPolarHBondContact O-CB 3.43Å; Y90-F94 VanDerWaalsContact O-CD2 3.31Å; Y90-F94 WeakPolarHBondContact O-CD2 3.38Å; Y90-F94 PolarHBondContact O-N 3.3Å; Y90-F98 AromaticContact CD2-CE2 3.96Å; Y90-F98 HydrophobicContact CD2-CE2 3.96Å; Y90-F98 AromaticContact CD2-CZ 3.99Å; Y90-F98 HydrophobicContact CD2-CZ 3.99Å; Y90-F98 HydrophobicContact CG-CE2 4.37Å; Y90-F98 HydrophobicContact CG-CZ 4.29Å; Y90-M100 HydrophobicContact CD2-SD 4.22Å; Y90-M100 HydrophobicContact CE2-SD 3.82Å
91	H	97.4	Very high	95.6	Very high	17 Å²	17	45.6 Å²	45.6	8%	0.079	22%	0.215	C	C	.	.	H	α-helix	trans	-66.4	-35.2	172.1	-84.9	-55.7	0	0	0	112.9	L87 I88 K93 G95 F98 G111 N420	L87-H91 PolarHBondContact O-CD2 2.86Å; L87-H91 VanDerWaalsContact O-CD2 3.29Å; L87-H91 PolarHBondContact O-N 2.97Å; L87-H91 VanDerWaalsContact O-N 3.08Å; I88-H91 PolarHBondContact O-N 3.05Å; H91-K93 VanDerWaalsContact C-N 3.34Å; H91-G95 PolarHBondContact ND1-O 2.93Å; H91-G95 CarbonylContact O-C 3.57Å; H91-G95 WeakPolarHBondContact O-CA 3.28Å; H91-G95 PolarHBondContact O-N 3.29Å; H91-F98 AromaticContact CD2-CE1 3.77Å; H91-F98 AromaticContact CE1-CD1 3.67Å; H91-F98 AromaticContact CE1-CE1 3.54Å; H91-F98 AromaticContact CG-CE1 3.95Å; H91-F98 AromaticContact ND1-CD1 3.8Å; H91-F98 AromaticContact ND1-CE1 3.83Å; H91-F98 AromaticContact NE2-CE1 3.54Å; H91-G111 VanDerWaalsContact CE1-CA 3.45Å; H91-G111 WeakPolarHBondContact CE1-CA 3.22Å; H91-G111 PolarHBondContact CE1-N 3.08Å; H91-N420 PolarHBondContact CD2-ND2 2.98Å; H91-N420 PolarHBondContact NE2-ND2 2.85Å
92	K	95.8	Very high	95.5	Very high	157 Å²	157	41.3 Å²	41.3	68%	0.683	20%	0.196	S	C	*	.	H	α-helix	trans	-65.3	-38	172.6	-70	174.5	179.6	175.9	0	112	I88 D89 Y90	I88-K92 HydrophobicContact CG2-CD 4.33Å; I88-K92 WeakPolarHBondContact O-CG 3.38Å; I88-K92 PolarHBondContact O-N 2.88Å; D89-K92 WeakPolarHBondContact O-CB 3.17Å; D89-K92 PolarHBondContact O-N 3.12Å; Y90-K92 VanDerWaalsContact C-N 3.33Å
93	K	96.4	Very high	95.1	Very high	139 Å²	139	39.9 Å²	39.9	60%	0.604	20%	0.197	S	C	*	.	H	α-helix	trans	-81.9	-45.2	-175.9	-175.6	174.6	175.7	-178	0	114	D89 Y90 H91	D89-K93 WeakPolarHBondContact O-CB 3.37Å; D89-K93 PolarHBondContact O-N 2.71Å; Y90-K93 PolarHBondContact O-N 3.24Å; H91-K93 VanDerWaalsContact C-N 3.34Å
94	F	96.5	Very high	94.5	Very high	41 Å²	41	44.7 Å²	44.7	18%	0.18	23%	0.232	C	C	.	.	H	α-helix	trans	-105.9	-8.3	-171.8	-55.2	-63.3	0	0	0	113.1	P60 G61 P62 Y90 F98	P60-F94 HydrophobicContact CB-CB 4.19Å; P60-F94 HydrophobicContact CB-CD1 4.09Å; P60-F94 HydrophobicContact CB-CG 4.49Å; P60-F94 HydrophobicContact CG-CB 4.23Å; G61-F94 VanDerWaalsContact O-CE1 3.26Å; G61-F94 WeakPolarHBondContact O-CE1 3.29Å; G61-F94 VanDerWaalsContact O-CZ 3.24Å; G61-F94 WeakPolarHBondContact O-CZ 3.31Å; P62-F94 HydrophobicContact CB-CE2 4.2Å; P62-F94 HydrophobicContact CB-CZ 4.42Å; P62-F94 HydrophobicContact CG-CE2 4.48Å; P62-F94 VanDerWaalsContact N-CE2 3.34Å; Y90-F94 HydrophobicContact CD1-CD2 4.32Å; Y90-F94 AromaticContact CD1-CE2 3.75Å; Y90-F94 HydrophobicContact CD1-CE2 3.75Å; Y90-F94 HydrophobicContact CE1-CE2 4.47Å; Y90-F94 HydrophobicContact CG-CD2 4.39Å; Y90-F94 HydrophobicContact CG-CE2 4.2Å; Y90-F94 WeakPolarHBondContact O-CB 3.43Å; Y90-F94 VanDerWaalsContact O-CD2 3.31Å; Y90-F94 WeakPolarHBondContact O-CD2 3.38Å; Y90-F94 PolarHBondContact O-N 3.3Å; F94-F98 HydrophobicContact CB-CB 3.72Å; F94-F98 HydrophobicContact CD2-CB 4.32Å; F94-F98 HydrophobicContact CD2-CG 4.48Å; F94-F98 HydrophobicContact CG-CB 4.29Å
95	G	94.6	Very high	94.1	Very high	32 Å²	32	47.7 Å²	47.7	33%	0.33	25%	0.246	S	C	.	.			trans	89.3	-148.1	174.7	0	0	0	0	0	114.2	H91 I97	H91-G95 PolarHBondContact ND1-O 2.93Å; H91-G95 CarbonylContact O-C 3.57Å; H91-G95 WeakPolarHBondContact O-CA 3.28Å; H91-G95 PolarHBondContact O-N 3.29Å; G95-I97 VanDerWaalsContact C-N 3.28Å; G95-I97 PolarHBondContact O-N 3.05Å
96	K	95.9	Very high	93.9	Very high	80 Å²	80	47.6 Å²	47.6	35%	0.348	24%	0.243	S	C	.	.	S	Bend	trans	-66.9	-28	-166.4	-64	-175.2	175.1	-178.2	0	113.4	G111 A112 L115 E429	K96-G111 PolarHBondContact O-N 2.9Å; K96-A112 HydrophobicContact CB-CB 3.68Å; K96-A112 HydrophobicContact CD-CB 3.87Å; K96-A112 HydrophobicContact CG-CB 3.73Å; K96-L115 HydrophobicContact CB-CD1 3.9Å; K96-L115 WeakPolarHBondContact O-CD1 3.48Å; K96-E429 IonicContact NZ-OE1 2.66Å; K96-E429 PolarHBondContact NZ-OE1 3.44Å
97	I	97.6	Very high	93.9	Very high	13 Å²	13	47.6 Å²	47.6	7%	0.067	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	137.1	-177.1	-174.8	168.7	0	0	0	109.5	I59 G95 V108 H109 I110 L115 Y409 I411	I59-I97 HydrophobicContact CD1-CD1 4.22Å; I59-I97 HydrophobicContact CG2-CG1 4.19Å; G95-I97 VanDerWaalsContact C-N 3.28Å; G95-I97 PolarHBondContact O-N 3.05Å; I97-V108 HydrophobicContact CD1-CG1 3.72Å; I97-V108 HydrophobicContact CG1-CG1 3.65Å; I97-H109 VanDerWaalsContact CA-O 3.27Å; I97-H109 WeakPolarHBondContact CA-O 3.38Å; I97-I110 HydrophobicContact CB-CG2 4.47Å; I97-I110 HydrophobicContact CD1-CG2 4.19Å; I97-I110 HydrophobicContact CG1-CG2 4.08Å; I97-L115 HydrophobicContact CB-CD1 3.85Å; I97-L115 HydrophobicContact CG2-CD1 4.48Å; I97-Y409 HydrophobicContact CD1-CD2 4.07Å; I97-Y409 HydrophobicContact CG2-CD2 3.86Å; I97-Y409 HydrophobicContact CG2-CE2 3.5Å; I97-Y409 VanDerWaalsContact CG2-CE2 3.5Å; I97-I411 HydrophobicContact CD1-CD1 4.17Å
98	F	97.9	Very high	94	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	159.4	171.8	71.1	-94.3	0	0	0	111.1	P60 L87 Y90 H91 F94 M100 V108 H109	P60-F98 CarbonylContact O-C 3.58Å; P60-F98 WeakPolarHBondContact O-CA 3.5Å; P60-F98 VanDerWaalsContact O-CB 3.23Å; P60-F98 WeakPolarHBondContact O-CB 3.11Å; L87-F98 HydrophobicContact CD2-CE2 4.45Å; L87-F98 HydrophobicContact CD2-CZ 3.77Å; Y90-F98 AromaticContact CD2-CE2 3.96Å; Y90-F98 HydrophobicContact CD2-CE2 3.96Å; Y90-F98 AromaticContact CD2-CZ 3.99Å; Y90-F98 HydrophobicContact CD2-CZ 3.99Å; Y90-F98 HydrophobicContact CG-CE2 4.37Å; Y90-F98 HydrophobicContact CG-CZ 4.29Å; H91-F98 AromaticContact CD2-CE1 3.77Å; H91-F98 AromaticContact CE1-CD1 3.67Å; H91-F98 AromaticContact CE1-CE1 3.54Å; H91-F98 AromaticContact CG-CE1 3.95Å; H91-F98 AromaticContact ND1-CD1 3.8Å; H91-F98 AromaticContact ND1-CE1 3.83Å; H91-F98 AromaticContact NE2-CE1 3.54Å; F94-F98 HydrophobicContact CB-CB 3.72Å; F94-F98 HydrophobicContact CD2-CB 4.32Å; F94-F98 HydrophobicContact CD2-CG 4.48Å; F94-F98 HydrophobicContact CG-CB 4.29Å; F98-M100 HydrophobicContact CD2-CB 4.25Å; F98-M100 HydrophobicContact CE2-CB 3.96Å; F98-M100 HydrophobicContact CE2-SD 4.43Å; F98-V108 CarbonylContact O-C 3.54Å; F98-V108 WeakPolarHBondContact O-CA 3.22Å; F98-H109 HydrophobicContact CD1-CB 3.79Å; F98-H109 HydrophobicContact CD2-CB 4.06Å; F98-H109 HydrophobicContact CE1-CB 3.41Å; F98-H109 VanDerWaalsContact CE1-CB 3.41Å; F98-H109 HydrophobicContact CE2-CB 3.69Å; F98-H109 AromaticContact CE2-CD2 3.4Å; F98-H109 WeakPolarHBondContact CE2-CD2 3.28Å; F98-H109 AromaticContact CE2-CG 3.57Å; F98-H109 HydrophobicContact CG-CB 4.1Å; F98-H109 HydrophobicContact CZ-CB 3.35Å; F98-H109 AromaticContact CZ-CD2 3.75Å; F98-H109 AromaticContact CZ-CG 3.41Å; F98-H109 VanDerWaalsContact CZ-CG 3.41Å; F98-H109 AromaticContact CZ-ND1 4Å; F98-H109 PolarHBondContact N-O 2.91Å; F98-H109 PolarHBondContact O-N 2.82Å
99	R	97.1	Very high	94.1	Very high	53 Å²	53	46.5 Å²	46.5	20%	0.2	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.5	178.1	-179.2	-179.4	174.2	-158.5	6.9	109.5	D57 I59 P60 G61 P62 E106 V108	D57-R99 IonicContact OD1-CZ 3.73Å; D57-R99 IonicContact OD1-NH1 2.97Å; D57-R99 PolarHBondContact OD1-NH1 3.29Å; D57-R99 IonicContact OD1-NH2 3.26Å; D57-R99 PolarHBondContact OD1-NH2 3.44Å; I59-R99 HydrophobicContact CB-CB 3.97Å; I59-R99 HydrophobicContact CG2-CB 3.75Å; P60-R99 PolarHBondContact O-N 2.96Å; G61-R99 VanDerWaalsContact CA-O 3.29Å; G61-R99 WeakPolarHBondContact CA-O 3.26Å; P62-R99 WeakPolarHBondContact CD-O 3.37Å; R99-E106 IonicContact CZ-OE1 3.47Å; R99-E106 IonicContact NE-OE1 3.79Å; R99-E106 PolarHBondContact NE-OE1 3.46Å; R99-E106 VanDerWaalsContact NH2-CD 3.29Å; R99-E106 IonicContact NH2-OE1 2.63Å; R99-E106 PolarHBondContact NH2-OE1 3.06Å; R99-E106 IonicContact NH2-OE2 3.12Å; R99-E106 PolarHBondContact NH2-OE2 3.02Å; R99-V108 HydrophobicContact CB-CG2 4.5Å; R99-V108 HydrophobicContact CG-CG2 4.43Å
100	M	95.3	Very high	94.2	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.025	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	140.5	179.3	-175.2	176.2	75	0	0	110.7	P62 L87 Y90 F98 L102 S107 H109	P62-M100 HydrophobicContact CG-CB 4.19Å; P62-M100 HydrophobicContact CG-CG 3.87Å; P62-M100 HydrophobicContact CG-SD 4.26Å; L87-M100 HydrophobicContact CD2-CE 4.26Å; Y90-M100 HydrophobicContact CD2-SD 4.22Å; Y90-M100 HydrophobicContact CE2-SD 3.82Å; F98-M100 HydrophobicContact CD2-CB 4.25Å; F98-M100 HydrophobicContact CE2-CB 3.96Å; F98-M100 HydrophobicContact CE2-SD 4.43Å; M100-L102 HydrophobicContact CE-CD1 3.84Å; M100-L102 HydrophobicContact CE-CD2 4.16Å; M100-L102 HydrophobicContact CE-CG 3.92Å; M100-L102 HydrophobicContact CG-CD2 4.4Å; M100-L102 HydrophobicContact SD-CD2 4.26Å; M100-S107 PolarHBondContact N-O 3.47Å; M100-S107 PolarHBondContact O-N 3.28Å; M100-S107 VanDerWaalsContact O-O 3.14Å; M100-H109 WeakPolarHBondContact CE-NE2 3.35Å
101	K	91.9	Very high	94	Very high	71 Å²	71	43.4 Å²	43.4	31%	0.309	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.1	175.9	-170.7	169	-175.9	167.5	0	109.5	G69 S70 G103 F105	G69-K101 CarbonylContact C-O 3.57Å; G69-K101 WeakPolarHBondContact CA-O 3.45Å; S70-K101 PolarHBondContact N-O 2.93Å; K101-G103 WeakPolarHBondContact CE-O 3.16Å; K101-G103 VanDerWaalsContact CG-O 3.29Å; K101-G103 WeakPolarHBondContact CG-O 3.13Å; K101-F105 CarbonylContact C-O 3.53Å; K101-F105 WeakPolarHBondContact CA-O 3.42Å
102	L	88.3	Confident	94	Very high	29 Å²	29	42.6 Å²	42.6	15%	0.152	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	98.4	173.5	-62.6	-179.6	0	0	0	108	L71 L74 M100 S104 F105	L71-L102 HydrophobicContact CB-CD2 4.34Å; L74-L102 HydrophobicContact CD2-CD1 4.2Å; L74-L102 HydrophobicContact CD2-CD2 4.03Å; M100-L102 HydrophobicContact CE-CD1 3.84Å; M100-L102 HydrophobicContact CE-CD2 4.16Å; M100-L102 HydrophobicContact CE-CG 3.92Å; M100-L102 HydrophobicContact CG-CD2 4.4Å; M100-L102 HydrophobicContact SD-CD2 4.26Å; L102-S104 PolarHBondContact O-N 3.22Å; L102-F105 PolarHBondContact N-O 2.95Å; L102-F105 WeakPolarHBondContact O-CB 3.3Å; L102-F105 PolarHBondContact O-N 2.81Å
103	G	84.4	Confident	93.9	Very high	21 Å²	21	35.4 Å²	35.4	22%	0.216	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	-120.1	-169.9	0	0	0	0	0	111.7	F68 K101	F68-G103 PolarHBondContact O-N 3.4Å; F68-G103 VanDerWaalsContact O-N 3.07Å; K101-G103 WeakPolarHBondContact CE-O 3.16Å; K101-G103 VanDerWaalsContact CG-O 3.29Å; K101-G103 WeakPolarHBondContact CG-O 3.13Å
104	S	80.8	Confident	93.9	Very high	121 Å²	121	29.8 Å²	29.8	85%	0.846	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-13.8	175	57.9	0	0	0	0	113.9	L102 E106	L102-S104 PolarHBondContact O-N 3.22Å; S104-E106 PolarHBondContact O-N 3.3Å
105	F	88.1	Confident	93.9	Very high	67 Å²	67	28 Å²	28	29%	0.294	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	117.5	-178	179.9	-104.6	0	0	0	110.3	K101 L102 L130 V416	K101-F105 CarbonylContact C-O 3.53Å; K101-F105 WeakPolarHBondContact CA-O 3.42Å; L102-F105 PolarHBondContact N-O 2.95Å; L102-F105 WeakPolarHBondContact O-CB 3.3Å; L102-F105 PolarHBondContact O-N 2.81Å; F105-L130 HydrophobicContact CE2-CD1 3.71Å; F105-L130 HydrophobicContact CE2-CD2 4.03Å; F105-L130 HydrophobicContact CZ-CD1 4.37Å; F105-L130 HydrophobicContact CZ-CD2 4.06Å; F105-V416 HydrophobicContact CE2-CB 4.48Å; F105-V416 HydrophobicContact CE2-CG1 4.36Å; F105-V416 HydrophobicContact CE2-CG2 4.32Å; F105-V416 HydrophobicContact CZ-CB 4.39Å; F105-V416 HydrophobicContact CZ-CG1 3.98Å
106	E	91.8	Very high	94	Very high	59 Å²	59	26.5 Å²	26.5	28%	0.276	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	136.7	179.2	-167	-176.7	143.2	0	0	110.6	R99 S104	R99-E106 IonicContact CZ-OE1 3.47Å; R99-E106 IonicContact NE-OE1 3.79Å; R99-E106 PolarHBondContact NE-OE1 3.46Å; R99-E106 VanDerWaalsContact NH2-CD 3.29Å; R99-E106 IonicContact NH2-OE1 2.63Å; R99-E106 PolarHBondContact NH2-OE1 3.06Å; R99-E106 IonicContact NH2-OE2 3.12Å; R99-E106 PolarHBondContact NH2-OE2 3.02Å; S104-E106 PolarHBondContact O-N 3.3Å
107	S	96.1	Very high	94	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.014	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	155.5	179.8	61.1	0	0	0	0	113	M100 H109 V416	M100-S107 PolarHBondContact N-O 3.47Å; M100-S107 PolarHBondContact O-N 3.28Å; M100-S107 VanDerWaalsContact O-O 3.14Å; S107-H109 PolarHBondContact OG-NE2 3.23Å; S107-H109 VanDerWaalsContact OG-NE2 3.15Å; S107-V416 CarbonylContact C-O 3.54Å; S107-V416 WeakPolarHBondContact CA-O 3.11Å; S107-V416 WeakPolarHBondContact CB-O 3.47Å
108	V	98.2	Very high	93.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.4	173	174.2	0	0	0	0	108.7	L56 I59 I97 F98 R99 I411 T415 V416 L417 M418	L56-V108 HydrophobicContact CD1-CG2 3.77Å; I59-V108 HydrophobicContact CD1-CG1 4.09Å; I59-V108 HydrophobicContact CD1-CG2 4.03Å; I97-V108 HydrophobicContact CD1-CG1 3.72Å; I97-V108 HydrophobicContact CG1-CG1 3.65Å; F98-V108 CarbonylContact O-C 3.54Å; F98-V108 WeakPolarHBondContact O-CA 3.22Å; R99-V108 HydrophobicContact CB-CG2 4.5Å; R99-V108 HydrophobicContact CG-CG2 4.43Å; V108-I411 HydrophobicContact CG1-CD1 4.2Å; V108-T415 HydrophobicContact CB-CG2 4.38Å; V108-T415 HydrophobicContact CG2-CG2 3.83Å; V108-V416 PolarHBondContact N-O 3.09Å; V108-L417 HydrophobicContact CB-CD2 3.7Å; V108-L417 HydrophobicContact CG1-CD2 4Å; V108-L417 CarbonylContact O-C 3.56Å; V108-L417 VanDerWaalsContact O-CA 3.22Å; V108-L417 WeakPolarHBondContact O-CA 3.33Å; V108-M418 PolarHBondContact O-N 3.26Å
109	H	98.4	Very high	93.8	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.009	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.5	-177	-70.7	-94.6	0	0	0	110.9	I97 F98 M100 S107 M418 N420	I97-H109 VanDerWaalsContact CA-O 3.27Å; I97-H109 WeakPolarHBondContact CA-O 3.38Å; F98-H109 HydrophobicContact CD1-CB 3.79Å; F98-H109 HydrophobicContact CD2-CB 4.06Å; F98-H109 HydrophobicContact CE1-CB 3.41Å; F98-H109 VanDerWaalsContact CE1-CB 3.41Å; F98-H109 HydrophobicContact CE2-CB 3.69Å; F98-H109 AromaticContact CE2-CD2 3.4Å; F98-H109 WeakPolarHBondContact CE2-CD2 3.28Å; F98-H109 AromaticContact CE2-CG 3.57Å; F98-H109 HydrophobicContact CG-CB 4.1Å; F98-H109 HydrophobicContact CZ-CB 3.35Å; F98-H109 AromaticContact CZ-CD2 3.75Å; F98-H109 AromaticContact CZ-CG 3.41Å; F98-H109 VanDerWaalsContact CZ-CG 3.41Å; F98-H109 AromaticContact CZ-ND1 4Å; F98-H109 PolarHBondContact N-O 2.91Å; F98-H109 PolarHBondContact O-N 2.82Å; M100-H109 WeakPolarHBondContact CE-NE2 3.35Å; S107-H109 PolarHBondContact OG-NE2 3.23Å; S107-H109 VanDerWaalsContact OG-NE2 3.15Å; H109-M418 CarbonylContact C-O 3.44Å; H109-M418 WeakPolarHBondContact CA-O 3.5Å; H109-M418 VanDerWaalsContact ND1-CB 3.28Å; H109-M418 WeakPolarHBondContact ND1-CB 3.42Å; H109-N420 WeakPolarHBondContact CB-ND2 3.48Å; H109-N420 PolarHBondContact ND1-ND2 2.67Å; H109-N420 VanDerWaalsContact ND1-ND2 3.15Å; H109-N420 PolarHBondContact ND1-OD1 3.33Å
110	I	97.9	Very high	93.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134.7	174.9	63.6	173.1	0	0	0	111	I97 L115 V116 L119 M418 I419 N420	I97-I110 HydrophobicContact CB-CG2 4.47Å; I97-I110 HydrophobicContact CD1-CG2 4.19Å; I97-I110 HydrophobicContact CG1-CG2 4.08Å; I110-L115 HydrophobicContact CB-CB 4.23Å; I110-L115 HydrophobicContact CB-CD1 4.23Å; I110-L115 HydrophobicContact CD1-CB 4.35Å; I110-L115 HydrophobicContact CG2-CB 4.37Å; I110-L115 HydrophobicContact CG2-CD1 4.03Å; I110-V116 HydrophobicContact CD1-CG2 4.27Å; I110-L119 HydrophobicContact CD1-CB 4.46Å; I110-L119 HydrophobicContact CD1-CD2 3.83Å; I110-M418 PolarHBondContact N-O 3.38Å; I110-I419 HydrophobicContact CD1-CG1 4.11Å; I110-I419 HydrophobicContact CG1-CG1 4.15Å; I110-N420 PolarHBondContact O-N 2.9Å
111	G	94.4	Very high	93.6	Very high	3 Å²	3	34.7 Å²	34.7	3%	0.031	17%	0.174	C	C	.	.			trans	-136.4	21	-172.9	0	0	0	0	0	113.4	H91 K96 Q424 Y430	H91-G111 VanDerWaalsContact CE1-CA 3.45Å; H91-G111 WeakPolarHBondContact CE1-CA 3.22Å; H91-G111 PolarHBondContact CE1-N 3.08Å; K96-G111 PolarHBondContact O-N 2.9Å; G111-Q424 VanDerWaalsContact O-CG 3.29Å; G111-Q424 WeakPolarHBondContact O-CG 3.44Å; G111-Y430 WeakPolarHBondContact O-CE2 3.21Å
112	A	95.8	Very high	93.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.			trans	-125.1	135.6	-178.7	0	0	0	0	0	111.9	K96 C114 L115 V116 Y430	K96-A112 HydrophobicContact CB-CB 3.68Å; K96-A112 HydrophobicContact CD-CB 3.87Å; K96-A112 HydrophobicContact CG-CB 3.73Å; A112-C114 PolarHBondContact O-N 3.01Å; A112-L115 HydrophobicContact CB-CB 4.5Å; A112-L115 HydrophobicContact CB-CD1 4.27Å; A112-L115 HydrophobicContact CB-CG 4.2Å; A112-L115 PolarHBondContact O-N 3.14Å; A112-V116 PolarHBondContact O-N 3.36Å; A112-V116 VanDerWaalsContact O-N 3.12Å; A112-Y430 WeakPolarHBondContact CA-OH 3.24Å; A112-Y430 WeakPolarHBondContact CB-OH 3.12Å
113	P	95.7	Very high	93.7	Very high	6 Å²	6	35.1 Å²	35.1	4%	0.039	18%	0.176	C	C	.	.	H	α-helix	trans	-53.6	-40.8	-179.6	-26.3	33.3	0	0	0	112.9	L115 V116 E117 Y430 N450 F452 A453	P113-L115 VanDerWaalsContact C-N 3.32Å; P113-L115 PolarHBondContact O-N 2.89Å; P113-V116 PolarHBondContact O-N 3.29Å; P113-E117 WeakPolarHBondContact O-CB 3.18Å; P113-E117 PolarHBondContact O-N 2.98Å; P113-Y430 VanDerWaalsContact CD-CE1 3.43Å; P113-Y430 VanDerWaalsContact CD-CE2 3.4Å; P113-Y430 HydrophobicContact CG-CD1 3.84Å; P113-Y430 HydrophobicContact CG-CD2 4.08Å; P113-Y430 HydrophobicContact CG-CE1 3.99Å; P113-Y430 HydrophobicContact CG-CE2 4.25Å; P113-Y430 HydrophobicContact CG-CG 3.91Å; P113-N450 HydrophobicContact CB-CB 4.24Å; P113-F452 HydrophobicContact CB-CB 4.06Å; P113-F452 WeakPolarHBondContact O-CB 3.27Å; P113-A453 HydrophobicContact CB-CB 4.27Å; P113-A453 HydrophobicContact CG-CB 3.59Å
114	C	95.1	Very high	94.1	Very high	20 Å²	20	35.1 Å²	35.1	14%	0.135	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-35.1	179.6	73.9	0	0	0	0	113.1	C45 A112 A118	C45-C114 HydrophobicContact CB-CB 3.45Å; C45-C114 VanDerWaalsContact CB-CB 3.45Å; C45-C114 WeakPolarHBondContact CB-SG 3.36Å; C45-C114 WeakPolarHBondContact SG-CB 3.43Å; C45-C114 CovalentContact SG-SG 2.03Å; C45-C114 PolarHBondContact SG-SG 3Å; A112-C114 PolarHBondContact O-N 3.01Å; C114-A118 WeakPolarHBondContact O-CB 3.34Å; C114-A118 PolarHBondContact O-N 3.18Å
115	L	96.4	Very high	94.7	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-76.3	-37.2	178.3	-64.9	-178.7	0	0	0	111.1	K96 I97 I110 A112 P113 E117 A118 L119	K96-L115 HydrophobicContact CB-CD1 3.9Å; K96-L115 WeakPolarHBondContact O-CD1 3.48Å; I97-L115 HydrophobicContact CB-CD1 3.85Å; I97-L115 HydrophobicContact CG2-CD1 4.48Å; I110-L115 HydrophobicContact CB-CB 4.23Å; I110-L115 HydrophobicContact CB-CD1 4.23Å; I110-L115 HydrophobicContact CD1-CB 4.35Å; I110-L115 HydrophobicContact CG2-CB 4.37Å; I110-L115 HydrophobicContact CG2-CD1 4.03Å; A112-L115 HydrophobicContact CB-CB 4.5Å; A112-L115 HydrophobicContact CB-CD1 4.27Å; A112-L115 HydrophobicContact CB-CG 4.2Å; A112-L115 PolarHBondContact O-N 3.14Å; P113-L115 VanDerWaalsContact C-N 3.32Å; P113-L115 PolarHBondContact O-N 2.89Å; L115-E117 VanDerWaalsContact C-N 3.32Å; L115-A118 PolarHBondContact O-N 2.84Å; L115-L119 WeakPolarHBondContact O-CB 3.36Å; L115-L119 PolarHBondContact O-N 3.36Å
116	V	96.9	Very high	95.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.4	-41.9	173.2	-179.1	0	0	0	0	110.3	I110 A112 P113 L119 Y120 I419 Q424 F452 V459	I110-V116 HydrophobicContact CD1-CG2 4.27Å; A112-V116 PolarHBondContact O-N 3.36Å; A112-V116 VanDerWaalsContact O-N 3.12Å; P113-V116 PolarHBondContact O-N 3.29Å; V116-L119 PolarHBondContact O-N 3.28Å; V116-Y120 WeakPolarHBondContact O-CB 3.03Å; V116-Y120 PolarHBondContact O-N 3.13Å; V116-I419 HydrophobicContact CG2-CG2 4Å; V116-Q424 VanDerWaalsContact CG2-NE2 3.27Å; V116-F452 HydrophobicContact CB-CB 4.29Å; V116-F452 HydrophobicContact CG1-CB 4.36Å; V116-F452 HydrophobicContact CG1-CD1 4Å; V116-V459 HydrophobicContact CG1-CB 4.42Å; V116-V459 HydrophobicContact CG1-CG1 4.07Å; V116-V459 HydrophobicContact CG1-CG2 4.48Å
117	E	96.1	Very high	95.3	Very high	45 Å²	45	29.7 Å²	29.7	21%	0.21	14%	0.14	C	C	.	.	H	α-helix	trans	-62.8	-47.7	174.4	-178.7	170.2	-172	0	0	111.9	P113 L115 L119 Y120 R121 F452	P113-E117 WeakPolarHBondContact O-CB 3.18Å; P113-E117 PolarHBondContact O-N 2.98Å; L115-E117 VanDerWaalsContact C-N 3.32Å; E117-L119 VanDerWaalsContact C-N 3.31Å; E117-L119 PolarHBondContact O-N 3.16Å; E117-Y120 PolarHBondContact O-N 3.04Å; E117-R121 HydrophobicContact CG-CG 4.42Å; E117-R121 WeakPolarHBondContact O-CG 3.47Å; E117-R121 PolarHBondContact O-N 3.17Å; E117-R121 IonicContact OE1-CZ 3.53Å; E117-R121 VanDerWaalsContact OE1-CZ 3.26Å; E117-R121 IonicContact OE1-NE 3.27Å; E117-R121 PolarHBondContact OE1-NE 3.41Å; E117-R121 IonicContact OE1-NH2 3.4Å; E117-R121 PolarHBondContact OE1-NH2 2.83Å; E117-F452 HydrophobicContact CB-CB 4.49Å; E117-F452 HydrophobicContact CB-CD1 4.21Å; E117-F452 HydrophobicContact CB-CD2 3.59Å; E117-F452 HydrophobicContact CB-CE1 4.32Å; E117-F452 HydrophobicContact CB-CE2 3.73Å; E117-F452 HydrophobicContact CB-CG 3.84Å; E117-F452 HydrophobicContact CB-CZ 4.1Å; E117-F452 HydrophobicContact CG-CD2 3.86Å; E117-F452 HydrophobicContact CG-CE2 3.48Å; E117-F452 VanDerWaalsContact CG-CE2 3.48Å; E117-F452 HydrophobicContact CG-CZ 3.86Å
118	A	94.9	Very high	95.3	Very high	8 Å²	8	33.2 Å²	33.2	7%	0.066	16%	0.156	C	C	.	.	H	α-helix	trans	-59.7	-42.3	177.8	0	0	0	0	0	112	C114 L115 K122 L406	C114-A118 WeakPolarHBondContact O-CB 3.34Å; C114-A118 PolarHBondContact O-N 3.18Å; L115-A118 PolarHBondContact O-N 2.84Å; A118-K122 WeakPolarHBondContact O-CG 3.42Å; A118-K122 PolarHBondContact O-N 3.07Å; A118-L406 HydrophobicContact CB-CD2 3.88Å
119	L	95.3	Very high	95.2	Very high	7 Å²	7	36.4 Å²	36.4	4%	0.037	17%	0.168	C	C	.	.	H	α-helix	trans	-62.6	-47.2	173.7	175.8	60.2	0	0	0	111.3	I110 L115 V116 E117 R121 K122 E123 R398 L400 L406 L417 I419	I110-L119 HydrophobicContact CD1-CB 4.46Å; I110-L119 HydrophobicContact CD1-CD2 3.83Å; L115-L119 WeakPolarHBondContact O-CB 3.36Å; L115-L119 PolarHBondContact O-N 3.36Å; V116-L119 PolarHBondContact O-N 3.28Å; E117-L119 VanDerWaalsContact C-N 3.31Å; E117-L119 PolarHBondContact O-N 3.16Å; L119-R121 PolarHBondContact O-N 2.57Å; L119-K122 CarbonylContact O-C 3.59Å; L119-K122 PolarHBondContact O-N 2.84Å; L119-E123 PolarHBondContact O-N 3.17Å; L119-R398 HydrophobicContact CD2-CB 4.44Å; L119-R398 HydrophobicContact CD2-CG 4.16Å; L119-L400 HydrophobicContact CD1-CD2 4.02Å; L119-L406 HydrophobicContact CB-CD1 4.47Å; L119-L406 HydrophobicContact CB-CD2 4.22Å; L119-L417 HydrophobicContact CD1-CD1 3.65Å; L119-L417 HydrophobicContact CD2-CD1 3.92Å; L119-L417 HydrophobicContact CG-CD1 4.39Å; L119-I419 HydrophobicContact CD2-CD1 3.91Å; L119-I419 HydrophobicContact CD2-CG1 4.17Å
120	Y	95.3	Very high	94.9	Very high	84 Å²	84	39.6 Å²	39.6	33%	0.329	19%	0.185	S	C	.	.	H	α-helix	trans	-59.1	-44.6	178.7	167.1	-110.1	0	0	0	112.2	V116 E117 K122 E123 F452 V459	V116-Y120 WeakPolarHBondContact O-CB 3.03Å; V116-Y120 PolarHBondContact O-N 3.13Å; E117-Y120 PolarHBondContact O-N 3.04Å; Y120-K122 PolarHBondContact O-N 2.96Å; Y120-E123 VanDerWaalsContact O-CB 3.26Å; Y120-E123 WeakPolarHBondContact O-CB 3.49Å; Y120-E123 PolarHBondContact O-N 3.14Å; Y120-F452 AromaticContact CD1-CE1 3.65Å; Y120-F452 HydrophobicContact CD1-CE1 3.65Å; Y120-F452 AromaticContact CD1-CZ 3.6Å; Y120-F452 HydrophobicContact CD1-CZ 3.6Å; Y120-F452 HydrophobicContact CE1-CE1 4.41Å; Y120-F452 HydrophobicContact CE1-CZ 4.13Å; Y120-F452 AromaticContact CG-CE1 3.9Å; Y120-F452 HydrophobicContact CG-CE1 3.9Å; Y120-F452 HydrophobicContact CG-CZ 4.32Å; Y120-V459 HydrophobicContact CD2-CG2 3.95Å; Y120-V459 HydrophobicContact CG-CG2 4.05Å
121	R	93.4	Very high	94.5	Very high	179 Å²	179	42.9 Å²	42.9	68%	0.675	20%	0.2	S	C	*	.	H	α-helix	trans	-66.4	-25.9	179.4	-70.7	177.9	-179.4	-98.6	4.6	113.2	E117 L119	E117-R121 HydrophobicContact CG-CG 4.42Å; E117-R121 WeakPolarHBondContact O-CG 3.47Å; E117-R121 PolarHBondContact O-N 3.17Å; E117-R121 IonicContact OE1-CZ 3.53Å; E117-R121 VanDerWaalsContact OE1-CZ 3.26Å; E117-R121 IonicContact OE1-NE 3.27Å; E117-R121 PolarHBondContact OE1-NE 3.41Å; E117-R121 IonicContact OE1-NH2 3.4Å; E117-R121 PolarHBondContact OE1-NH2 2.83Å; L119-R121 PolarHBondContact O-N 2.57Å
122	K	93.1	Very high	94.4	Very high	77 Å²	77	44.6 Å²	44.6	34%	0.335	21%	0.208	S	C	.	.	H	α-helix	trans	-98.4	-3.2	179.5	-66.5	176.2	-176.9	178	0	113.3	A118 L119 Y120 K402 T404 V405	A118-K122 WeakPolarHBondContact O-CG 3.42Å; A118-K122 PolarHBondContact O-N 3.07Å; L119-K122 CarbonylContact O-C 3.59Å; L119-K122 PolarHBondContact O-N 2.84Å; Y120-K122 PolarHBondContact O-N 2.96Å; K122-K402 VanDerWaalsContact O-CE 3.25Å; K122-K402 WeakPolarHBondContact O-CE 3.46Å; K122-K402 PolarHBondContact O-NZ 2.68Å; K122-T404 HydrophobicContact CB-CG2 4.39Å; K122-T404 HydrophobicContact CD-CG2 3.81Å; K122-V405 PolarHBondContact NZ-O 3.04Å
123	E	89.5	Confident	94.3	Very high	33 Å²	33	49.3 Å²	49.3	15%	0.154	23%	0.228	C	C	.	.			trans	-56.5	143.6	-173.5	-160.9	-177.9	-141.3	0	0	111.6	L119 Y120 P127 R398 G460 K461	L119-E123 PolarHBondContact O-N 3.17Å; Y120-E123 VanDerWaalsContact O-CB 3.26Å; Y120-E123 WeakPolarHBondContact O-CB 3.49Å; Y120-E123 PolarHBondContact O-N 3.14Å; E123-P127 HydrophobicContact CG-CB 3.67Å; E123-P127 HydrophobicContact CG-CG 3.58Å; E123-P127 WeakPolarHBondContact OE1-CB 3.44Å; E123-P127 VanDerWaalsContact OE1-CG 3.29Å; E123-P127 WeakPolarHBondContact OE1-CG 3.47Å; E123-R398 IonicContact OE1-CZ 3.68Å; E123-R398 IonicContact OE1-NE 2.71Å; E123-R398 PolarHBondContact OE1-NE 2.95Å; E123-R398 IonicContact OE1-NH2 3.35Å; E123-R398 PolarHBondContact OE1-NH2 3.35Å; E123-G460 WeakPolarHBondContact OE2-CA 3.46Å; E123-K461 PolarHBondContact OE2-N 2.91Å
124	S	92.2	Very high	94.3	Very high	21 Å²	21	49 Å²	49	15%	0.147	23%	0.227	C	C	.	.			trans	-60	163.4	174.7	-165.6	0	0	0	0	113.1	Y126 D401	S124-Y126 PolarHBondContact O-N 3.15Å; S124-Y126 PolarHBondContact OG-N 2.81Å; S124-D401 WeakPolarHBondContact CB-OD2 3.23Å; S124-D401 PolarHBondContact OG-OD2 2.96Å
125	A	93.9	Very high	94.4	Very high	45 Å²	45	48.7 Å²	48.7	37%	0.372	22%	0.222	S	C	.	.	S	Bend	trans	-58.8	-31.9	162.8	0	0	0	0	0	111.7
126	Y	96.3	Very high	94.4	Very high	84 Å²	84	50.1 Å²	50.1	33%	0.329	23%	0.229	S	C	.	.	S	Bend	trans	-126.4	75.9	-176.7	-43.3	-55.6	0	0	0	109.8	S124 Q128 G153 E154 Q157	S124-Y126 PolarHBondContact O-N 3.15Å; S124-Y126 PolarHBondContact OG-N 2.81Å; Y126-Q128 PolarHBondContact O-N 2.92Å; Y126-G153 WeakPolarHBondContact CD1-O 3.38Å; Y126-E154 HydrophobicContact CE1-CG 4.48Å; Y126-E154 HydrophobicContact CE2-CG 3.96Å; Y126-Q157 HydrophobicContact CD1-CB 3.72Å; Y126-Q157 HydrophobicContact CD1-CG 4.31Å; Y126-Q157 HydrophobicContact CE1-CB 3.61Å; Y126-Q157 HydrophobicContact CE1-CG 3.9Å
127	P	96.3	Very high	94.4	Very high	4 Å²	4	50.7 Å²	50.7	3%	0.026	23%	0.233	C	C	.	.			trans	-62.8	131.9	-175.4	-11.3	23.9	0	0	0	109.8	E123 K461 R462	E123-P127 HydrophobicContact CG-CB 3.67Å; E123-P127 HydrophobicContact CG-CG 3.58Å; E123-P127 WeakPolarHBondContact OE1-CB 3.44Å; E123-P127 VanDerWaalsContact OE1-CG 3.29Å; E123-P127 WeakPolarHBondContact OE1-CG 3.47Å; P127-K461 HydrophobicContact CG-CB 4.32Å; P127-R462 HydrophobicContact CB-CB 4.13Å; P127-R462 HydrophobicContact CG-CB 4.13Å; P127-R462 WeakPolarHBondContact O-CD 3.4Å; P127-R462 PolarHBondContact O-NH1 2.82Å
128	Q	96.4	Very high	94.5	Very high	76 Å²	76	48.6 Å²	48.6	36%	0.355	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-101	145.1	-179.7	176.3	167.5	-16.4	0	0	111.3	Y126 E152 R398 T399	Y126-Q128 PolarHBondContact O-N 2.92Å; Q128-E152 WeakPolarHBondContact CB-OE2 3.23Å; Q128-E152 VanDerWaalsContact CG-OE2 3.3Å; Q128-E152 WeakPolarHBondContact CG-OE2 3.35Å; Q128-R398 CarbonylContact O-C 3.51Å; Q128-R398 VanDerWaalsContact O-CA 3.23Å; Q128-R398 WeakPolarHBondContact O-CA 3.46Å; Q128-R398 WeakPolarHBondContact O-CD 3.3Å; Q128-T399 PolarHBondContact O-N 2.88Å
129	R	95.5	Very high	94.6	Very high	67 Å²	67	48.3 Å²	48.3	25%	0.253	22%	0.22	S	C	.	.			trans	-106	173.6	170	-64.2	-169.4	179.3	-154.2	-2.2	110.3	E131 T396 R462	R129-E131 PolarHBondContact O-N 3.4Å; R129-T396 VanDerWaalsContact CZ-OG1 3.25Å; R129-T396 PolarHBondContact NH1-OG1 2.91Å; R129-R462 PolarHBondContact NH2-O 3.32Å
130	L	92.1	Very high	94.7	Very high	69 Å²	69	52.5 Å²	52.5	36%	0.361	24%	0.243	S	C	.	.			trans	-56.4	129.6	168.7	-175.2	63.2	0	0	0	110	F105 S397 V416	F105-L130 HydrophobicContact CE2-CD1 3.71Å; F105-L130 HydrophobicContact CE2-CD2 4.03Å; F105-L130 HydrophobicContact CZ-CD1 4.37Å; F105-L130 HydrophobicContact CZ-CD2 4.06Å; L130-S397 WeakPolarHBondContact CB-OG 3.28Å; L130-S397 PolarHBondContact N-OG 2.91Å; L130-V416 HydrophobicContact CD1-CG2 4.42Å
131	E	90.4	Very high	94.8	Very high	69 Å²	69	51.7 Å²	51.7	32%	0.322	24%	0.244	S	C	.	.			trans	-71.8	134.8	-175	-177.7	175.1	-135.1	0	0	112.2	R129 K133 K136	R129-E131 PolarHBondContact O-N 3.4Å; E131-K133 HydrophobicContact CG-CG 4.03Å; E131-K133 PolarHBondContact O-N 2.88Å; E131-K136 HydrophobicContact CG-CD 4.12Å; E131-K136 VanDerWaalsContact OE1-CD 3.24Å; E131-K136 WeakPolarHBondContact OE1-CD 3.38Å; E131-K136 WeakPolarHBondContact OE1-CE 3.31Å; E131-K136 IonicContact OE1-NZ 2.55Å; E131-K136 PolarHBondContact OE1-NZ 3.4Å
132	I	92.7	Very high	95	Very high	38 Å²	38	48 Å²	48	20%	0.195	23%	0.23	C	C	.	.			trans	-96.1	79	174.4	-47.5	174.3	0	0	0	108.9	P134 W135 K136 I150 F249 M253	I132-P134 VanDerWaalsContact C-CD 3.49Å; I132-W135 HydrophobicContact CB-CD2 4.44Å; I132-W135 HydrophobicContact CB-CG 4.39Å; I132-W135 HydrophobicContact CD1-CD2 4.38Å; I132-W135 HydrophobicContact CD1-CE3 4.02Å; I132-W135 HydrophobicContact CD1-CH2 4.44Å; I132-W135 HydrophobicContact CD1-CZ3 4.06Å; I132-W135 HydrophobicContact CG2-CB 4.06Å; I132-W135 HydrophobicContact CG2-CD2 3.71Å; I132-W135 HydrophobicContact CG2-CE3 4.34Å; I132-W135 HydrophobicContact CG2-CG 3.55Å; I132-W135 PolarHBondContact O-N 3.39Å; I132-K136 PolarHBondContact O-N 3.38Å; I132-I150 HydrophobicContact CB-CG2 3.99Å; I132-I150 HydrophobicContact CD1-CG2 4.22Å; I132-I150 HydrophobicContact CG1-CG2 4.37Å; I132-F249 HydrophobicContact CG2-CD2 4.2Å; I132-M253 HydrophobicContact CG2-SD 4.23Å
133	K	93.4	Very high	95.2	Very high	100 Å²	100	49.8 Å²	49.8	44%	0.435	24%	0.243	S	C	.	.	H	α-helix	trans	-55.6	-41.5	-174.5	-63	-174.7	174.1	-169.1	0	114.5	E131 W135 K136 A137 V257	E131-K133 HydrophobicContact CG-CG 4.03Å; E131-K133 PolarHBondContact O-N 2.88Å; K133-W135 VanDerWaalsContact C-N 3.28Å; K133-W135 PolarHBondContact O-N 3.49Å; K133-K136 PolarHBondContact O-N 2.83Å; K133-A137 WeakPolarHBondContact O-CB 3.47Å; K133-A137 PolarHBondContact O-N 3.49Å; K133-V257 HydrophobicContact CB-CG1 3.89Å
134	P	95.4	Very high	95.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-37.4	180	-26.3	36.5	0	0	0	114	I132 Y138 F249 M252 M253 V257	I132-P134 VanDerWaalsContact C-CD 3.49Å; P134-Y138 PolarHBondContact O-N 2.92Å; P134-Y138 VanDerWaalsContact O-N 3.15Å; P134-F249 HydrophobicContact CB-CB 4.23Å; P134-M252 HydrophobicContact CB-CB 4.18Å; P134-M252 HydrophobicContact CB-CE 4.08Å; P134-M252 HydrophobicContact CG-CB 3.63Å; P134-M252 WeakPolarHBondContact CG-O 3.3Å; P134-M253 VanDerWaalsContact CD-SD 3.52Å; P134-M253 HydrophobicContact CG-CG 4.35Å; P134-M253 HydrophobicContact CG-SD 4.14Å; P134-V257 HydrophobicContact CB-CG2 4.28Å; P134-V257 HydrophobicContact CG-CB 4.38Å; P134-V257 HydrophobicContact CG-CG2 4.45Å
135	W	96.6	Very high	95.8	Very high	12 Å²	12	49.2 Å²	49.2	5%	0.045	24%	0.242	C	C	.	.	H	α-helix	trans	-70.1	-45.9	179.8	-66	10	0	0	0	110.7	I132 K133 A137 Y138 R139 L149 I150 M245 M246 F249 H271 W275 I327	I132-W135 HydrophobicContact CB-CD2 4.44Å; I132-W135 HydrophobicContact CB-CG 4.39Å; I132-W135 HydrophobicContact CD1-CD2 4.38Å; I132-W135 HydrophobicContact CD1-CE3 4.02Å; I132-W135 HydrophobicContact CD1-CH2 4.44Å; I132-W135 HydrophobicContact CD1-CZ3 4.06Å; I132-W135 HydrophobicContact CG2-CB 4.06Å; I132-W135 HydrophobicContact CG2-CD2 3.71Å; I132-W135 HydrophobicContact CG2-CE3 4.34Å; I132-W135 HydrophobicContact CG2-CG 3.55Å; I132-W135 PolarHBondContact O-N 3.39Å; K133-W135 VanDerWaalsContact C-N 3.28Å; K133-W135 PolarHBondContact O-N 3.49Å; W135-A137 PolarHBondContact O-N 3.4Å; W135-Y138 WeakPolarHBondContact O-CB 3.5Å; W135-Y138 PolarHBondContact O-N 3.14Å; W135-R139 WeakPolarHBondContact O-CG 3.49Å; W135-R139 PolarHBondContact O-N 2.93Å; W135-R139 VanDerWaalsContact O-N 3.08Å; W135-L149 HydrophobicContact CH2-CD1 4.35Å; W135-L149 HydrophobicContact CZ3-CB 4.36Å; W135-L149 HydrophobicContact CZ3-CD1 3.81Å; W135-I150 HydrophobicContact CB-CD1 4.24Å; W135-I150 HydrophobicContact CB-CG2 4.31Å; W135-I150 HydrophobicContact CE3-CG2 3.99Å; W135-M245 HydrophobicContact CZ2-CE 4.25Å; W135-M245 HydrophobicContact CZ2-SD 3.85Å; W135-M246 HydrophobicContact CZ2-SD 4.29Å; W135-F249 AromaticContact NE1-CD1 3.97Å; W135-F249 AromaticContact NE1-CD2 3.97Å; W135-F249 AromaticContact NE1-CG 3.55Å; W135-H271 AromaticContact CD1-CE1 3.91Å; W135-H271 AromaticContact CD1-NE2 3.93Å; W135-W275 HydrophobicContact CB-CZ2 4.43Å; W135-W275 AromaticContact CD1-CZ2 3.77Å; W135-W275 AromaticContact CD1-NE1 3.96Å; W135-W275 HydrophobicContact CD2-CH2 4.28Å; W135-W275 AromaticContact CD2-CZ2 3.67Å; W135-W275 HydrophobicContact CD2-CZ2 3.67Å; W135-W275 AromaticContact CE2-CZ2 3.72Å; W135-W275 HydrophobicContact CE3-CH2 4.41Å; W135-W275 HydrophobicContact CE3-CZ2 4.24Å; W135-W275 AromaticContact CG-CZ2 3.74Å; W135-W275 HydrophobicContact CG-CZ2 3.74Å; W135-W275 HydrophobicContact CZ2-CZ2 4.31Å; W135-W275 AromaticContact NE1-CZ2 3.78Å; W135-I327 HydrophobicContact CH2-CG2 4.25Å
136	K	97.1	Very high	96	Very high	35 Å²	35	50 Å²	50	15%	0.152	24%	0.235	C	C	.	.	H	α-helix	trans	-58.2	-47.3	174.2	-76.5	-173.6	160.4	-171.6	0	112.1	E131 I132 K133 Y138 R139 D140 Y146 I150	E131-K136 HydrophobicContact CG-CD 4.12Å; E131-K136 VanDerWaalsContact OE1-CD 3.24Å; E131-K136 WeakPolarHBondContact OE1-CD 3.38Å; E131-K136 WeakPolarHBondContact OE1-CE 3.31Å; E131-K136 IonicContact OE1-NZ 2.55Å; E131-K136 PolarHBondContact OE1-NZ 3.4Å; I132-K136 PolarHBondContact O-N 3.38Å; K133-K136 PolarHBondContact O-N 2.83Å; K136-Y138 PolarHBondContact O-N 3.01Å; K136-R139 WeakPolarHBondContact O-CB 3.33Å; K136-R139 PolarHBondContact O-N 2.91Å; K136-D140 PolarHBondContact O-N 2.73Å; K136-Y146 HydrophobicContact CB-CE1 4.44Å; K136-Y146 HydrophobicContact CD-CE2 3.94Å; K136-Y146 HydrophobicContact CG-CD2 4.4Å; K136-Y146 HydrophobicContact CG-CE1 4.34Å; K136-Y146 HydrophobicContact CG-CE2 3.89Å; K136-I150 WeakPolarHBondContact CE-O 3.28Å; K136-I150 HydrophobicContact CG-CB 4.21Å; K136-I150 HydrophobicContact CG-CD1 4.14Å
137	A	97.2	Very high	96	Very high	12 Å²	12	46 Å²	46	10%	0.099	22%	0.219	C	C	.	.	H	α-helix	trans	-58.8	-35.4	179.7	0	0	0	0	0	112.9	K133 W135 L141 V257 W268	K133-A137 WeakPolarHBondContact O-CB 3.47Å; K133-A137 PolarHBondContact O-N 3.49Å; W135-A137 PolarHBondContact O-N 3.4Å; A137-L141 WeakPolarHBondContact O-CB 3.41Å; A137-L141 PolarHBondContact O-N 2.98Å; A137-L141 VanDerWaalsContact O-N 3.14Å; A137-V257 HydrophobicContact CB-CG1 4.17Å; A137-V257 HydrophobicContact CB-CG2 3.86Å; A137-W268 HydrophobicContact CB-CH2 3.85Å; A137-W268 HydrophobicContact CB-CZ3 4.1Å
138	Y	97.8	Very high	96	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-66.1	-48.7	171.3	167.2	-94.1	0	0	0	111.7	P134 W135 K136 D140 L141 R142 E144 T272 W275 D276 F279	P134-Y138 PolarHBondContact O-N 2.92Å; P134-Y138 VanDerWaalsContact O-N 3.15Å; W135-Y138 WeakPolarHBondContact O-CB 3.5Å; W135-Y138 PolarHBondContact O-N 3.14Å; K136-Y138 PolarHBondContact O-N 3.01Å; Y138-D140 VanDerWaalsContact C-N 3.31Å; Y138-D140 PolarHBondContact O-N 3.32Å; Y138-L141 WeakPolarHBondContact O-CB 3.46Å; Y138-L141 PolarHBondContact O-N 3.15Å; Y138-L141 VanDerWaalsContact O-N 3.14Å; Y138-R142 HydrophobicContact CD2-CG 4.18Å; Y138-R142 HydrophobicContact CE1-CG 4.48Å; Y138-R142 HydrophobicContact CE2-CB 4.46Å; Y138-R142 HydrophobicContact CE2-CG 3.55Å; Y138-R142 PolarHBondContact O-N 2.95Å; Y138-E144 HydrophobicContact CE1-CG 4.45Å; Y138-T272 HydrophobicContact CD2-CG2 4.08Å; Y138-W275 HydrophobicContact CD1-CB 3.74Å; Y138-W275 HydrophobicContact CD1-CD2 4.2Å; Y138-W275 AromaticContact CD1-CG 3.75Å; Y138-W275 HydrophobicContact CD1-CG 3.75Å; Y138-W275 HydrophobicContact CD2-CB 3.64Å; Y138-W275 HydrophobicContact CD2-CG 4.1Å; Y138-W275 HydrophobicContact CE1-CB 3.46Å; Y138-W275 VanDerWaalsContact CE1-CB 3.46Å; Y138-W275 HydrophobicContact CE1-CD2 4.38Å; Y138-W275 AromaticContact CE1-CG 3.92Å; Y138-W275 HydrophobicContact CE1-CG 3.92Å; Y138-W275 HydrophobicContact CE2-CB 3.32Å; Y138-W275 HydrophobicContact CE2-CG 4.23Å; Y138-W275 HydrophobicContact CG-CB 3.84Å; Y138-W275 AromaticContact CG-CD1 3.76Å; Y138-W275 AromaticContact CG-CG 3.87Å; Y138-W275 HydrophobicContact CG-CG 3.87Å; Y138-D276 VanDerWaalsContact CE2-OD1 3.25Å; Y138-D276 WeakPolarHBondContact CE2-OD1 3.33Å; Y138-D276 WeakPolarHBondContact OH-CA 3.48Å; Y138-D276 PolarHBondContact OH-N 3.49Å; Y138-D276 PolarHBondContact OH-OD1 3.28Å; Y138-F279 AromaticContact CE1-CD2 3.75Å; Y138-F279 HydrophobicContact CE1-CD2 3.75Å; Y138-F279 AromaticContact CE1-CE2 3.79Å; Y138-F279 HydrophobicContact CE1-CE2 3.79Å
139	R	97.6	Very high	95.9	Very high	1 Å²	1	46.4 Å²	46.4	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-59.1	-43.4	-179.9	-62.2	-50.4	166.9	73.4	8.9	111.6	W135 K136 L141 R142 D143 E144 A145 Y146 I150 F279 E324	W135-R139 WeakPolarHBondContact O-CG 3.49Å; W135-R139 PolarHBondContact O-N 2.93Å; W135-R139 VanDerWaalsContact O-N 3.08Å; K136-R139 WeakPolarHBondContact O-CB 3.33Å; K136-R139 PolarHBondContact O-N 2.91Å; R139-L141 VanDerWaalsContact C-N 3.34Å; R139-L141 PolarHBondContact O-N 2.83Å; R139-R142 PolarHBondContact O-N 3.34Å; R139-D143 WeakPolarHBondContact O-CA 3.43Å; R139-D143 PolarHBondContact O-N 2.9Å; R139-E144 HydrophobicContact CB-CB 4.36Å; R139-E144 PolarHBondContact O-N 3.45Å; R139-A145 WeakPolarHBondContact CD-O 3.35Å; R139-A145 PolarHBondContact NH1-O 3.01Å; R139-Y146 HydrophobicContact CB-CD1 3.59Å; R139-Y146 HydrophobicContact CB-CE1 3.5Å; R139-Y146 HydrophobicContact CG-CD1 3.84Å; R139-Y146 HydrophobicContact CG-CE1 4.18Å; R139-I150 HydrophobicContact CG-CD1 4Å; R139-F279 VanDerWaalsContact CZ-CZ 3.45Å; R139-F279 VanDerWaalsContact NE-CE2 3.33Å; R139-F279 VanDerWaalsContact NE-CZ 3.31Å; R139-E324 IonicContact CZ-OE1 3.42Å; R139-E324 IonicContact NH1-OE1 2.66Å; R139-E324 PolarHBondContact NH1-OE1 3.4Å; R139-E324 IonicContact NH2-OE1 3.38Å; R139-E324 PolarHBondContact NH2-OE1 3.32Å
140	D	97.4	Very high	95.9	Very high	95 Å²	95	43.4 Å²	43.4	51%	0.508	21%	0.213	S	C	.	.	H	α-helix	trans	-64.9	-37.9	176.8	-60.2	-22.6	0	0	0	112.2	K136 Y138 R142 Y146	K136-D140 PolarHBondContact O-N 2.73Å; Y138-D140 VanDerWaalsContact C-N 3.31Å; Y138-D140 PolarHBondContact O-N 3.32Å; D140-R142 VanDerWaalsContact C-N 3.33Å; D140-Y146 VanDerWaalsContact OD1-CE1 3.26Å; D140-Y146 WeakPolarHBondContact OD1-CE1 3.4Å; D140-Y146 VanDerWaalsContact OD1-CZ 3.26Å; D140-Y146 PolarHBondContact OD1-OH 3.33Å; D140-Y146 PolarHBondContact OD2-OH 2.89Å
141	L	97	Very high	96.1	Very high	68 Å²	68	41 Å²	41	36%	0.356	20%	0.2	S	C	.	.	H	α-helix	trans	-65.6	-37.2	177.2	177	71.4	0	0	0	112	A137 Y138 R139 W268 T272	A137-L141 WeakPolarHBondContact O-CB 3.41Å; A137-L141 PolarHBondContact O-N 2.98Å; A137-L141 VanDerWaalsContact O-N 3.14Å; Y138-L141 WeakPolarHBondContact O-CB 3.46Å; Y138-L141 PolarHBondContact O-N 3.15Å; Y138-L141 VanDerWaalsContact O-N 3.14Å; R139-L141 VanDerWaalsContact C-N 3.34Å; R139-L141 PolarHBondContact O-N 2.83Å; L141-W268 HydrophobicContact CD2-CZ2 3.82Å; L141-T272 HydrophobicContact CD2-CG2 4.03Å
142	R	96.9	Very high	96.4	Very high	101 Å²	101	39.7 Å²	39.7	38%	0.381	19%	0.194	S	C	.	.	H	α-helix	trans	-101.1	3.1	-173.7	-68.4	-65.5	-170.7	-106.4	-0.7	114.2	Y138 R139 D140 E144 D276	Y138-R142 HydrophobicContact CD2-CG 4.18Å; Y138-R142 HydrophobicContact CE1-CG 4.48Å; Y138-R142 HydrophobicContact CE2-CB 4.46Å; Y138-R142 HydrophobicContact CE2-CG 3.55Å; Y138-R142 PolarHBondContact O-N 2.95Å; R139-R142 PolarHBondContact O-N 3.34Å; D140-R142 VanDerWaalsContact C-N 3.33Å; R142-E144 HydrophobicContact CB-CG 3.84Å; R142-E144 PolarHBondContact O-N 2.91Å; R142-D276 IonicContact CZ-OD1 3.22Å; R142-D276 IonicContact CZ-OD2 3.96Å; R142-D276 IonicContact NE-OD1 3.91Å; R142-D276 PolarHBondContact NE-OD1 2.9Å; R142-D276 IonicContact NE-OD2 3.45Å; R142-D276 PolarHBondContact NE-OD2 3.32Å; R142-D276 IonicContact NH2-OD1 2.96Å; R142-D276 IonicContact NH2-OD2 3.18Å; R142-D276 PolarHBondContact NH2-OD2 3.14Å
143	D	96.9	Very high	96.6	Very high	114 Å²	114	39.1 Å²	39.1	61%	0.61	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	41.7	-174.5	-177.9	32.5	0	0	0	111.8	R139 K316	R139-D143 WeakPolarHBondContact O-CA 3.43Å; R139-D143 PolarHBondContact O-N 2.9Å; D143-K316 WeakPolarHBondContact O-CE 3.47Å; D143-K316 PolarHBondContact O-NZ 3.07Å; D143-K316 IonicContact OD1-NZ 2.63Å; D143-K316 PolarHBondContact OD1-NZ 3.49Å; D143-K316 IonicContact OD2-NZ 2.97Å; D143-K316 PolarHBondContact OD2-NZ 2.97Å
144	E	97.3	Very high	96.7	Very high	25 Å²	25	40.9 Å²	40.9	12%	0.117	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-95.9	149.8	173.3	-61.4	-64.2	169.6	0	0	110.4	Y138 R139 R142 F279 K283	Y138-E144 HydrophobicContact CE1-CG 4.45Å; R139-E144 HydrophobicContact CB-CB 4.36Å; R139-E144 PolarHBondContact O-N 3.45Å; R142-E144 HydrophobicContact CB-CG 3.84Å; R142-E144 PolarHBondContact O-N 2.91Å; E144-F279 HydrophobicContact CB-CE1 4.35Å; E144-F279 HydrophobicContact CB-CZ 4.48Å; E144-F279 HydrophobicContact CG-CD1 4.35Å; E144-F279 HydrophobicContact CG-CE1 4.37Å; E144-K283 VanDerWaalsContact CD-NZ 3.3Å; E144-K283 WeakPolarHBondContact OE1-CE 3.28Å; E144-K283 IonicContact OE1-NZ 2.87Å; E144-K283 PolarHBondContact OE1-NZ 3.12Å; E144-K283 WeakPolarHBondContact OE2-CE 3.45Å; E144-K283 IonicContact OE2-NZ 2.81Å; E144-K283 PolarHBondContact OE2-NZ 3.43Å
145	A	97.6	Very high	96.8	Very high	18 Å²	18	44.5 Å²	44.5	15%	0.149	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-69.9	160.3	175.1	0	0	0	0	0	112.2	R139 K316 E317 A320	R139-A145 WeakPolarHBondContact CD-O 3.35Å; R139-A145 PolarHBondContact NH1-O 3.01Å; A145-K316 HydrophobicContact CB-CB 4.06Å; A145-K316 WeakPolarHBondContact CB-O 3.33Å; A145-E317 HydrophobicContact CB-CB 4.49Å; A145-E317 HydrophobicContact CB-CG 4.05Å; A145-A320 HydrophobicContact CB-CB 3.93Å; A145-A320 WeakPolarHBondContact O-CB 3.3Å
146	Y	97.9	Very high	96.8	Very high	60 Å²	60	44 Å²	44	24%	0.235	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-84.7	142.1	169.2	-68	5.1	0	0	0	109.7	K136 R139 D140 I150 L151	K136-Y146 HydrophobicContact CB-CE1 4.44Å; K136-Y146 HydrophobicContact CD-CE2 3.94Å; K136-Y146 HydrophobicContact CG-CD2 4.4Å; K136-Y146 HydrophobicContact CG-CE1 4.34Å; K136-Y146 HydrophobicContact CG-CE2 3.89Å; R139-Y146 HydrophobicContact CB-CD1 3.59Å; R139-Y146 HydrophobicContact CB-CE1 3.5Å; R139-Y146 HydrophobicContact CG-CD1 3.84Å; R139-Y146 HydrophobicContact CG-CE1 4.18Å; D140-Y146 VanDerWaalsContact OD1-CE1 3.26Å; D140-Y146 WeakPolarHBondContact OD1-CE1 3.4Å; D140-Y146 VanDerWaalsContact OD1-CZ 3.26Å; D140-Y146 PolarHBondContact OD1-OH 3.33Å; D140-Y146 PolarHBondContact OD2-OH 2.89Å; Y146-I150 HydrophobicContact CD1-CD1 4.14Å; Y146-I150 HydrophobicContact CG-CD1 4.09Å; Y146-I150 HydrophobicContact CG-CG1 4.24Å; Y146-L151 HydrophobicContact CD2-CD2 4.5Å; Y146-L151 WeakPolarHBondContact O-CD1 3.39Å; Y146-L151 WeakPolarHBondContact O-CG 3.21Å
147	G	96.3	Very high	96.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.			trans	-99.8	-175.8	173.4	0	0	0	0	0	112.3	L149 I150 L151 E324	G147-L149 PolarHBondContact O-N 3.39Å; G147-L149 VanDerWaalsContact O-N 3.07Å; G147-I150 PolarHBondContact O-N 3.4Å; G147-I150 VanDerWaalsContact O-N 3.15Å; G147-L151 VanDerWaalsContact O-CB 3.28Å; G147-L151 WeakPolarHBondContact O-CB 3.45Å; G147-L151 WeakPolarHBondContact O-CG 3.32Å; G147-L151 PolarHBondContact O-N 3.04Å; G147-E324 VanDerWaalsContact CA-OE1 3.24Å; G147-E324 WeakPolarHBondContact CA-OE1 3.39Å; G147-E324 WeakPolarHBondContact CA-OE2 3.41Å; G147-E324 PolarHBondContact N-OE1 3.39Å
148	L	95.6	Very high	96.7	Very high	12 Å²	12	49.3 Å²	49.3	6%	0.063	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.9	-172.3	-72.1	167.4	0	0	0	115.3	V159 R160 F163 E324 I465	L148-V159 HydrophobicContact CD2-CB 4.04Å; L148-V159 HydrophobicContact CD2-CG1 3.71Å; L148-V159 HydrophobicContact CG-CG1 4Å; L148-R160 HydrophobicContact CD2-CB 3.93Å; L148-F163 HydrophobicContact CD1-CB 4.3Å; L148-F163 HydrophobicContact CD1-CD2 4.48Å; L148-F163 HydrophobicContact CD1-CG 4.31Å; L148-E324 PolarHBondContact N-OE2 3.46Å; L148-E324 VanDerWaalsContact N-OE2 3.08Å; L148-I465 HydrophobicContact CD1-CD1 3.47Å; L148-I465 VanDerWaalsContact CD1-CD1 3.47Å; L148-I465 HydrophobicContact CD1-CG2 4.3Å
149	L	94.3	Very high	96.6	Very high	78 Å²	78	49.3 Å²	49.3	41%	0.408	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-26	-177.8	-60.9	176.5	0	0	0	112.5	W135 G147 E324	W135-L149 HydrophobicContact CH2-CD1 4.35Å; W135-L149 HydrophobicContact CZ3-CB 4.36Å; W135-L149 HydrophobicContact CZ3-CD1 3.81Å; G147-L149 PolarHBondContact O-N 3.39Å; G147-L149 VanDerWaalsContact O-N 3.07Å; L149-E324 VanDerWaalsContact CB-OE2 3.25Å; L149-E324 WeakPolarHBondContact CB-OE2 3.36Å; L149-E324 HydrophobicContact CD1-CB 3.98Å; L149-E324 HydrophobicContact CD1-CG 4.27Å; L149-E324 HydrophobicContact CG-CB 4.22Å; L149-E324 PolarHBondContact N-OE2 2.87Å
150	I	96.1	Very high	96.5	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-6.5	-174.7	59	170.4	0	0	0	114.2	I132 W135 K136 R139 Y146 G147	I132-I150 HydrophobicContact CB-CG2 3.99Å; I132-I150 HydrophobicContact CD1-CG2 4.22Å; I132-I150 HydrophobicContact CG1-CG2 4.37Å; W135-I150 HydrophobicContact CB-CD1 4.24Å; W135-I150 HydrophobicContact CB-CG2 4.31Å; W135-I150 HydrophobicContact CE3-CG2 3.99Å; K136-I150 WeakPolarHBondContact CE-O 3.28Å; K136-I150 HydrophobicContact CG-CB 4.21Å; K136-I150 HydrophobicContact CG-CD1 4.14Å; R139-I150 HydrophobicContact CG-CD1 4Å; Y146-I150 HydrophobicContact CD1-CD1 4.14Å; Y146-I150 HydrophobicContact CG-CD1 4.09Å; Y146-I150 HydrophobicContact CG-CG1 4.24Å; G147-I150 PolarHBondContact O-N 3.4Å; G147-I150 VanDerWaalsContact O-N 3.15Å
151	L	96.6	Very high	96.4	Very high	18 Å²	18	47.1 Å²	47.1	9%	0.094	23%	0.233	C	C	.	.			trans	-68.2	147.6	167	-81.6	170.7	0	0	0	111.2	Y146 G147 D155 W156 V159 R462	Y146-L151 HydrophobicContact CD2-CD2 4.5Å; Y146-L151 WeakPolarHBondContact O-CD1 3.39Å; Y146-L151 WeakPolarHBondContact O-CG 3.21Å; G147-L151 VanDerWaalsContact O-CB 3.28Å; G147-L151 WeakPolarHBondContact O-CB 3.45Å; G147-L151 WeakPolarHBondContact O-CG 3.32Å; G147-L151 PolarHBondContact O-N 3.04Å; L151-D155 HydrophobicContact CD2-CB 3.88Å; L151-W156 HydrophobicContact CB-CB 3.81Å; L151-W156 HydrophobicContact CB-CG 4.46Å; L151-V159 HydrophobicContact CD1-CB 3.93Å; L151-V159 HydrophobicContact CD1-CG1 4.36Å; L151-V159 HydrophobicContact CD1-CG2 3.64Å; L151-R462 PolarHBondContact O-NH2 3.33Å
152	E	97	Very high	96.2	Very high	42 Å²	42	45.4 Å²	45.4	20%	0.196	23%	0.226	C	C	.	.			trans	-130.8	168.7	177	-61.4	-58.2	146.6	0	0	111	Q128 W156 R462	Q128-E152 WeakPolarHBondContact CB-OE2 3.23Å; Q128-E152 VanDerWaalsContact CG-OE2 3.3Å; Q128-E152 WeakPolarHBondContact CG-OE2 3.35Å; E152-W156 PolarHBondContact O-N 3.48Å; E152-W156 VanDerWaalsContact O-N 3.14Å; E152-R462 VanDerWaalsContact CD-NH1 3.27Å; E152-R462 IonicContact OE1-CZ 2.76Å; E152-R462 IonicContact OE1-NH1 3.39Å; E152-R462 PolarHBondContact OE1-NH1 3.21Å; E152-R462 IonicContact OE1-NH2 3.78Å; E152-R462 PolarHBondContact OE1-NH2 2.84Å; E152-R462 IonicContact OE2-CZ 3.84Å; E152-R462 IonicContact OE2-NH1 3.06Å; E152-R462 PolarHBondContact OE2-NH1 3.16Å; E152-R462 IonicContact OE2-NH2 3.23Å
153	G	96.6	Very high	96.1	Very high	26 Å²	26	40.6 Å²	40.6	27%	0.268	21%	0.208	S	C	.	.	H	α-helix	trans	60	-142.6	171.3	0	0	0	0	0	115.4	Y126 W156 Q157	Y126-G153 WeakPolarHBondContact CD1-O 3.38Å; G153-W156 WeakPolarHBondContact O-CB 3.49Å; G153-W156 PolarHBondContact O-N 2.87Å; G153-Q157 PolarHBondContact O-N 3.13Å; G153-Q157 VanDerWaalsContact O-N 3.15Å
154	E	96.4	Very high	95.9	Very high	137 Å²	137	38 Å²	38	64%	0.64	19%	0.192	S	C	*	.	H	α-helix	trans	-67.9	-35.1	-177.1	-58.4	-164.7	153.9	0	0	112.7	Y126 W156 Q157 R158	Y126-E154 HydrophobicContact CE1-CG 4.48Å; Y126-E154 HydrophobicContact CE2-CG 3.96Å; E154-W156 VanDerWaalsContact C-N 3.35Å; E154-W156 PolarHBondContact O-N 3.25Å; E154-Q157 PolarHBondContact O-N 3.49Å; E154-Q157 VanDerWaalsContact O-N 3.17Å; E154-R158 WeakPolarHBondContact O-CB 3.09Å; E154-R158 PolarHBondContact O-N 3.41Å
155	D	95.9	Very high	95.6	Very high	76 Å²	76	41 Å²	41	41%	0.406	21%	0.206	S	C	.	.	H	α-helix	trans	-63.2	-42.9	176.2	-70	-44.9	0	0	0	111	L151 Q157 R158 V159	L151-D155 HydrophobicContact CD2-CB 3.88Å; D155-Q157 VanDerWaalsContact C-N 3.35Å; D155-Q157 PolarHBondContact O-N 2.91Å; D155-R158 PolarHBondContact O-N 2.99Å; D155-R158 IonicContact OD1-CZ 2.8Å; D155-R158 VanDerWaalsContact OD1-CZ 3.27Å; D155-R158 IonicContact OD1-NH1 2.82Å; D155-R158 PolarHBondContact OD1-NH1 3.32Å; D155-R158 IonicContact OD1-NH2 3.71Å; D155-R158 PolarHBondContact OD1-NH2 3.38Å; D155-R158 VanDerWaalsContact OD1-NH2 3.1Å; D155-V159 WeakPolarHBondContact O-CG2 3.46Å; D155-V159 PolarHBondContact O-N 3.28Å; D155-V159 VanDerWaalsContact O-N 3.09Å
156	W	97.6	Very high	95.2	Very high	2 Å²	2	42 Å²	42	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-57.8	-48.4	171.4	172.6	81.3	0	0	0	111.3	L151 E152 G153 E154 R158 V159 R160 K461 R462	L151-W156 HydrophobicContact CB-CB 3.81Å; L151-W156 HydrophobicContact CB-CG 4.46Å; E152-W156 PolarHBondContact O-N 3.48Å; E152-W156 VanDerWaalsContact O-N 3.14Å; G153-W156 WeakPolarHBondContact O-CB 3.49Å; G153-W156 PolarHBondContact O-N 2.87Å; E154-W156 VanDerWaalsContact C-N 3.35Å; E154-W156 PolarHBondContact O-N 3.25Å; W156-R158 VanDerWaalsContact C-N 3.34Å; W156-R158 PolarHBondContact O-N 3.04Å; W156-V159 PolarHBondContact O-N 3.4Å; W156-R160 HydrophobicContact CD2-CB 4.36Å; W156-R160 HydrophobicContact CH2-CG 4.1Å; W156-R160 HydrophobicContact CZ2-CB 4.12Å; W156-R160 HydrophobicContact CZ2-CG 3.74Å; W156-R160 WeakPolarHBondContact O-CB 3.27Å; W156-R160 PolarHBondContact O-N 3Å; W156-K461 HydrophobicContact CH2-CB 4Å; W156-R462 HydrophobicContact CH2-CB 3.98Å; W156-R462 HydrophobicContact CH2-CG 4.35Å; W156-R462 HydrophobicContact CZ2-CB 3.59Å; W156-R462 HydrophobicContact CZ2-CG 3.52Å
157	Q	96.8	Very high	95	Very high	49 Å²	49	39.4 Å²	39.4	23%	0.229	20%	0.197	C	C	.	.	H	α-helix	trans	-63.1	-39.4	-179.1	-178.7	64.6	25.5	0	0	112	Y126 G153 E154 D155 S161	Y126-Q157 HydrophobicContact CD1-CB 3.72Å; Y126-Q157 HydrophobicContact CD1-CG 4.31Å; Y126-Q157 HydrophobicContact CE1-CB 3.61Å; Y126-Q157 HydrophobicContact CE1-CG 3.9Å; G153-Q157 PolarHBondContact O-N 3.13Å; G153-Q157 VanDerWaalsContact O-N 3.15Å; E154-Q157 PolarHBondContact O-N 3.49Å; E154-Q157 VanDerWaalsContact O-N 3.17Å; D155-Q157 VanDerWaalsContact C-N 3.35Å; D155-Q157 PolarHBondContact O-N 2.91Å; Q157-S161 PolarHBondContact NE2-OG 2.88Å; Q157-S161 WeakPolarHBondContact O-CB 3.34Å; Q157-S161 PolarHBondContact O-N 3.39Å; Q157-S161 PolarHBondContact O-OG 3.46Å
158	R	95.2	Very high	94.9	Very high	108 Å²	108	40.9 Å²	40.9	41%	0.408	20%	0.204	S	C	.	.	H	α-helix	trans	-59.1	-55.5	176.8	-178.6	179.8	70.8	-123.1	-2.6	110.5	E154 D155 W156 S161 T162 E317	E154-R158 WeakPolarHBondContact O-CB 3.09Å; E154-R158 PolarHBondContact O-N 3.41Å; D155-R158 PolarHBondContact O-N 2.99Å; D155-R158 IonicContact OD1-CZ 2.8Å; D155-R158 VanDerWaalsContact OD1-CZ 3.27Å; D155-R158 IonicContact OD1-NH1 2.82Å; D155-R158 PolarHBondContact OD1-NH1 3.32Å; D155-R158 IonicContact OD1-NH2 3.71Å; D155-R158 PolarHBondContact OD1-NH2 3.38Å; D155-R158 VanDerWaalsContact OD1-NH2 3.1Å; W156-R158 VanDerWaalsContact C-N 3.34Å; W156-R158 PolarHBondContact O-N 3.04Å; R158-S161 PolarHBondContact O-N 2.93Å; R158-T162 PolarHBondContact O-N 3.4Å; R158-T162 PolarHBondContact O-OG1 3.12Å; R158-E317 IonicContact CZ-OE1 3.77Å; R158-E317 IonicContact NE-OE1 2.84Å; R158-E317 IonicContact NH2-OE1 3.15Å; R158-E317 PolarHBondContact NH2-OE1 3.06Å
159	V	95.6	Very high	94.8	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	22%	0.22	C	C	.	.	H	α-helix	trans	-65.4	-44.3	-179.7	-176.7	0	0	0	0	110.4	L148 L151 D155 W156 S161 T162 F163 L313 A321	L148-V159 HydrophobicContact CD2-CB 4.04Å; L148-V159 HydrophobicContact CD2-CG1 3.71Å; L148-V159 HydrophobicContact CG-CG1 4Å; L151-V159 HydrophobicContact CD1-CB 3.93Å; L151-V159 HydrophobicContact CD1-CG1 4.36Å; L151-V159 HydrophobicContact CD1-CG2 3.64Å; D155-V159 WeakPolarHBondContact O-CG2 3.46Å; D155-V159 PolarHBondContact O-N 3.28Å; D155-V159 VanDerWaalsContact O-N 3.09Å; W156-V159 PolarHBondContact O-N 3.4Å; V159-S161 VanDerWaalsContact C-N 3.33Å; V159-S161 PolarHBondContact O-N 3.08Å; V159-T162 PolarHBondContact O-N 3Å; V159-F163 HydrophobicContact CG1-CD2 3.79Å; V159-F163 HydrophobicContact CG1-CE2 3.88Å; V159-F163 WeakPolarHBondContact O-CD2 3.08Å; V159-F163 PolarHBondContact O-N 2.84Å; V159-F163 VanDerWaalsContact O-N 3.13Å; V159-L313 HydrophobicContact CG2-CD2 3.88Å; V159-A321 HydrophobicContact CG1-CB 4.18Å
160	R	96.3	Very high	94.7	Very high	14 Å²	14	44 Å²	44	5%	0.053	22%	0.221	C	C	.	.	H	α-helix	trans	-58.6	-44.3	178.7	176.8	59.4	-179.4	-138.2	2.6	111.9	L148 W156 T162 F163 Q164 K461 M463 I465	L148-R160 HydrophobicContact CD2-CB 3.93Å; W156-R160 HydrophobicContact CD2-CB 4.36Å; W156-R160 HydrophobicContact CH2-CG 4.1Å; W156-R160 HydrophobicContact CZ2-CB 4.12Å; W156-R160 HydrophobicContact CZ2-CG 3.74Å; W156-R160 WeakPolarHBondContact O-CB 3.27Å; W156-R160 PolarHBondContact O-N 3Å; R160-T162 VanDerWaalsContact C-N 3.27Å; R160-T162 PolarHBondContact O-N 3.44Å; R160-F163 PolarHBondContact O-N 3.22Å; R160-Q164 VanDerWaalsContact O-CB 3.31Å; R160-Q164 WeakPolarHBondContact O-CB 3.33Å; R160-Q164 VanDerWaalsContact O-CG 3.29Å; R160-Q164 WeakPolarHBondContact O-CG 3.25Å; R160-Q164 PolarHBondContact O-N 3.5Å; R160-K461 PolarHBondContact NH2-O 2.89Å; R160-M463 PolarHBondContact NH1-O 2.78Å; R160-M463 PolarHBondContact NH2-O 2.61Å; R160-I465 VanDerWaalsContact NH1-CB 3.31Å
161	S	94.3	Very high	94.5	Very high	36 Å²	36	48.4 Å²	48.4	25%	0.252	25%	0.248	S	C	.	.	H	α-helix	trans	-62.8	-36.5	-178.2	-64	0	0	0	0	111.9	Q157 R158 V159 Q164 Q165	Q157-S161 PolarHBondContact NE2-OG 2.88Å; Q157-S161 WeakPolarHBondContact O-CB 3.34Å; Q157-S161 PolarHBondContact O-N 3.39Å; Q157-S161 PolarHBondContact O-OG 3.46Å; R158-S161 PolarHBondContact O-N 2.93Å; V159-S161 VanDerWaalsContact C-N 3.33Å; V159-S161 PolarHBondContact O-N 3.08Å; S161-Q164 WeakPolarHBondContact O-CG 3.49Å; S161-Q165 VanDerWaalsContact O-CG 3.26Å; S161-Q165 WeakPolarHBondContact O-CG 3.47Å
162	T	93.2	Very high	94.2	Very high	33 Å²	33	49.7 Å²	49.7	20%	0.202	25%	0.254	C	S	.	.	H	α-helix	trans	-69	-52.9	176.5	-60.3	0	0	0	0	111.7	R158 V159 R160 Q164 Q165 I307 L313	R158-T162 PolarHBondContact O-N 3.4Å; R158-T162 PolarHBondContact O-OG1 3.12Å; V159-T162 PolarHBondContact O-N 3Å; R160-T162 VanDerWaalsContact C-N 3.27Å; R160-T162 PolarHBondContact O-N 3.44Å; T162-Q164 PolarHBondContact O-N 2.71Å; T162-Q165 PolarHBondContact O-N 2.99Å; T162-I307 HydrophobicContact CG2-CB 4.21Å; T162-I307 HydrophobicContact CG2-CD1 4.34Å; T162-I307 HydrophobicContact CG2-CG1 3.85Å; T162-I307 HydrophobicContact CG2-CG2 3.58Å; T162-L313 HydrophobicContact CG2-CD1 3.96Å
163	F	93.9	Very high	94	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-69.1	-35.1	-176.2	-82.9	-91.6	0	0	0	113.4	L148 V159 R160 Q165 K166 L167 I307 L313 L318 A321 I322 L325 I465	L148-F163 HydrophobicContact CD1-CB 4.3Å; L148-F163 HydrophobicContact CD1-CD2 4.48Å; L148-F163 HydrophobicContact CD1-CG 4.31Å; V159-F163 HydrophobicContact CG1-CD2 3.79Å; V159-F163 HydrophobicContact CG1-CE2 3.88Å; V159-F163 WeakPolarHBondContact O-CD2 3.08Å; V159-F163 PolarHBondContact O-N 2.84Å; V159-F163 VanDerWaalsContact O-N 3.13Å; R160-F163 PolarHBondContact O-N 3.22Å; F163-Q165 PolarHBondContact O-N 3.1Å; F163-K166 PolarHBondContact O-N 2.69Å; F163-K166 VanDerWaalsContact O-N 3.1Å; F163-L167 HydrophobicContact CB-CD1 4.44Å; F163-L167 HydrophobicContact CD1-CD1 4.06Å; F163-L167 PolarHBondContact O-N 3.44Å; F163-I307 HydrophobicContact CD1-CD1 3.78Å; F163-I307 HydrophobicContact CD2-CD1 4.47Å; F163-I307 HydrophobicContact CE1-CD1 3.91Å; F163-I307 HydrophobicContact CG-CD1 4.09Å; F163-I307 HydrophobicContact CZ-CD1 4.32Å; F163-L313 HydrophobicContact CD2-CD1 4.43Å; F163-L313 HydrophobicContact CE2-CD1 3.88Å; F163-L318 HydrophobicContact CE2-CD2 4.4Å; F163-L318 HydrophobicContact CZ-CD2 4.11Å; F163-A321 HydrophobicContact CD2-CB 4.42Å; F163-A321 HydrophobicContact CE1-CB 4.42Å; F163-A321 HydrophobicContact CE2-CB 3.56Å; F163-A321 HydrophobicContact CZ-CB 3.55Å; F163-I322 HydrophobicContact CE1-CD1 3.68Å; F163-I322 HydrophobicContact CE1-CG1 4.47Å; F163-I322 HydrophobicContact CZ-CD1 4.09Å; F163-I322 HydrophobicContact CZ-CG1 4.41Å; F163-L325 HydrophobicContact CD1-CD1 3.65Å; F163-L325 HydrophobicContact CE1-CD1 3.58Å; F163-I465 HydrophobicContact CB-CD1 3.47Å; F163-I465 VanDerWaalsContact CB-CD1 3.47Å
164	Q	94.2	Very high	93.9	Very high	59 Å²	59	48.2 Å²	48.2	28%	0.276	25%	0.245	S	C	.	.	H	α-helix	trans	-63.6	-30.2	-179.3	72.9	-179.9	-8.7	0	0	112.7	R160 S161 T162 K166 M168	R160-Q164 VanDerWaalsContact O-CB 3.31Å; R160-Q164 WeakPolarHBondContact O-CB 3.33Å; R160-Q164 VanDerWaalsContact O-CG 3.29Å; R160-Q164 WeakPolarHBondContact O-CG 3.25Å; R160-Q164 PolarHBondContact O-N 3.5Å; S161-Q164 WeakPolarHBondContact O-CG 3.49Å; T162-Q164 PolarHBondContact O-N 2.71Å; Q164-K166 PolarHBondContact O-N 3.18Å; Q164-K166 VanDerWaalsContact O-N 3.17Å; Q164-M168 HydrophobicContact CB-CB 4.4Å; Q164-M168 HydrophobicContact CB-CG 4.28Å; Q164-M168 WeakPolarHBondContact O-CB 3.45Å; Q164-M168 PolarHBondContact O-N 3.28Å
165	Q	90.5	Very high	93.8	Very high	89 Å²	89	46.7 Å²	46.7	42%	0.416	24%	0.237	S	C	.	.	H	α-helix	trans	-65.6	-19	178.9	-63.6	-63.5	-32.5	0	0	112.3	S161 T162 F163 K169	S161-Q165 VanDerWaalsContact O-CG 3.26Å; S161-Q165 WeakPolarHBondContact O-CG 3.47Å; T162-Q165 PolarHBondContact O-N 2.99Å; F163-Q165 PolarHBondContact O-N 3.1Å; Q165-K169 WeakPolarHBondContact O-CD 3.43Å; Q165-K169 VanDerWaalsContact O-CE 3.29Å; Q165-K169 WeakPolarHBondContact O-CE 3.44Å; Q165-K169 VanDerWaalsContact O-CG 3.26Å; Q165-K169 WeakPolarHBondContact O-CG 3.2Å
166	K	89.9	Confident	93.7	Very high	39 Å²	39	44.1 Å²	44.1	17%	0.17	22%	0.223	C	C	.	.	H	α-helix	trans	-106.2	-42	178.5	-62.9	-60.3	-166.3	170.5	0	112.4	F163 Q164 E172 F303 D306 I307	F163-K166 PolarHBondContact O-N 2.69Å; F163-K166 VanDerWaalsContact O-N 3.1Å; Q164-K166 PolarHBondContact O-N 3.18Å; Q164-K166 VanDerWaalsContact O-N 3.17Å; K166-E172 IonicContact NZ-OE2 3.1Å; K166-E172 WeakPolarHBondContact O-CB 3.48Å; K166-F303 HydrophobicContact CB-CB 3.8Å; K166-F303 HydrophobicContact CB-CD2 4.28Å; K166-F303 HydrophobicContact CB-CG 4.35Å; K166-F303 HydrophobicContact CD-CB 4.05Å; K166-F303 HydrophobicContact CG-CB 3.89Å; K166-D306 IonicContact NZ-OD2 2.81Å; K166-D306 PolarHBondContact NZ-OD2 3.29Å; K166-I307 HydrophobicContact CB-CD1 4.47Å; K166-I307 HydrophobicContact CG-CD1 4.11Å; K166-I307 HydrophobicContact CG-CG1 4.09Å
167	L	93	Very high	93.6	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-91.1	-18.6	-172.9	-63.1	178.8	0	0	0	114.8	F163 V173 F303 L325 I465	F163-L167 HydrophobicContact CB-CD1 4.44Å; F163-L167 HydrophobicContact CD1-CD1 4.06Å; F163-L167 PolarHBondContact O-N 3.44Å; L167-V173 VanDerWaalsContact O-CG2 3.27Å; L167-V173 WeakPolarHBondContact O-CG2 3.21Å; L167-F303 HydrophobicContact CD2-CE2 4.35Å; L167-L325 HydrophobicContact CD1-CD1 3.77Å; L167-L325 HydrophobicContact CD1-CD2 3.73Å; L167-L325 HydrophobicContact CD1-CG 4.44Å; L167-I465 HydrophobicContact CB-CG1 4.38Å; L167-I465 HydrophobicContact CD1-CD1 4.43Å; L167-I465 HydrophobicContact CD1-CG1 4.3Å
168	M	93.4	Very high	93.5	Very high	32 Å²	32	45 Å²	45	16%	0.158	24%	0.238	C	C	.	.	S	Bend	trans	-108.9	-7.3	-178.8	-66.8	-66.9	-72.4	0	0	113.6	Q164 P170 M463 I465 R467 R468	Q164-M168 HydrophobicContact CB-CB 4.4Å; Q164-M168 HydrophobicContact CB-CG 4.28Å; Q164-M168 WeakPolarHBondContact O-CB 3.45Å; Q164-M168 PolarHBondContact O-N 3.28Å; M168-P170 WeakPolarHBondContact O-CD 3.47Å; M168-M463 HydrophobicContact CE-SD 4.25Å; M168-I465 HydrophobicContact CG-CG1 4.47Å; M168-R467 HydrophobicContact CE-CB 4.36Å; M168-R467 HydrophobicContact SD-CB 4.21Å; M168-R468 HydrophobicContact SD-CG 4.15Å
169	K	93.4	Very high	93.5	Very high	88 Å²	88	42.2 Å²	42.2	38%	0.383	23%	0.228	S	C	.	.			trans	-80.5	121.9	174.3	-72.8	-166.8	-170.6	166.3	0	110.7	Q165 T171 E172 V173	Q165-K169 WeakPolarHBondContact O-CD 3.43Å; Q165-K169 VanDerWaalsContact O-CE 3.29Å; Q165-K169 WeakPolarHBondContact O-CE 3.44Å; Q165-K169 VanDerWaalsContact O-CG 3.26Å; Q165-K169 WeakPolarHBondContact O-CG 3.2Å; K169-T171 VanDerWaalsContact C-N 3.26Å; K169-T171 PolarHBondContact O-N 2.98Å; K169-E172 HydrophobicContact CB-CB 4.17Å; K169-E172 HydrophobicContact CB-CG 3.98Å; K169-E172 HydrophobicContact CD-CG 4.36Å; K169-E172 PolarHBondContact O-N 3.1Å; K169-V173 WeakPolarHBondContact O-CG2 3.49Å; K169-V173 PolarHBondContact O-N 3.45Å; K169-V173 VanDerWaalsContact O-N 3.1Å
170	P	92.4	Very high	93.6	Very high	66 Å²	66	42.1 Å²	42.1	43%	0.429	23%	0.228	S	C	.	.	H	α-helix	trans	-57.1	-37.7	179.6	-26.8	35.4	0	0	0	113.8	M168 A174	M168-P170 WeakPolarHBondContact O-CD 3.47Å; P170-A174 WeakPolarHBondContact O-CB 3.36Å; P170-A174 PolarHBondContact O-N 2.93Å
171	T	92.1	Very high	93.7	Very high	97 Å²	97	42 Å²	42	60%	0.595	23%	0.229	S	C	*	.	H	α-helix	trans	-67.9	-35.6	-179.1	51.8	0	0	0	0	113	K169	K169-T171 VanDerWaalsContact C-N 3.26Å; K169-T171 PolarHBondContact O-N 2.98Å
172	E	91.3	Very high	93.8	Very high	46 Å²	46	45.4 Å²	45.4	22%	0.215	24%	0.24	C	C	.	.	H	α-helix	trans	-75.5	-44.9	177.7	-65.1	-54.9	117.5	0	0	110.9	K166 K169 A174 K175	K166-E172 IonicContact NZ-OE2 3.1Å; K166-E172 WeakPolarHBondContact O-CB 3.48Å; K169-E172 HydrophobicContact CB-CB 4.17Å; K169-E172 HydrophobicContact CB-CG 3.98Å; K169-E172 HydrophobicContact CD-CG 4.36Å; K169-E172 PolarHBondContact O-N 3.1Å; E172-A174 VanDerWaalsContact C-N 3.3Å; E172-A174 PolarHBondContact O-N 3.49Å; E172-K175 WeakPolarHBondContact O-CB 3.36Å; E172-K175 PolarHBondContact O-N 3.28Å; E172-K175 IonicContact OE1-NZ 3.59Å; E172-K175 PolarHBondContact OE1-NZ 3.4Å; E172-K175 IonicContact OE2-NZ 3.82Å; E172-K175 PolarHBondContact OE2-NZ 3.45Å
173	V	93.3	Very high	94	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.03	23%	0.231	C	C	.	.	H	α-helix	trans	-66.4	-34.3	179.8	175.4	0	0	0	0	111.7	L167 K169 K175 L176 R468 L469 L472	L167-V173 VanDerWaalsContact O-CG2 3.27Å; L167-V173 WeakPolarHBondContact O-CG2 3.21Å; K169-V173 WeakPolarHBondContact O-CG2 3.49Å; K169-V173 PolarHBondContact O-N 3.45Å; K169-V173 VanDerWaalsContact O-N 3.1Å; V173-K175 PolarHBondContact O-N 2.79Å; V173-L176 VanDerWaalsContact O-CB 3.31Å; V173-L176 WeakPolarHBondContact O-CB 3.5Å; V173-L176 PolarHBondContact O-N 2.95Å; V173-R468 HydrophobicContact CB-CB 4.37Å; V173-R468 HydrophobicContact CG1-CB 4.16Å; V173-R468 HydrophobicContact CG2-CB 4Å; V173-L469 HydrophobicContact CG1-CB 4.41Å; V173-L472 HydrophobicContact CG1-CB 4.22Å; V173-L472 HydrophobicContact CG1-CD2 3.78Å; V173-L472 WeakPolarHBondContact O-CD2 3.49Å
174	A	94.1	Very high	94.2	Very high	31 Å²	31	43.9 Å²	43.9	26%	0.256	23%	0.231	S	C	.	.	H	α-helix	trans	-58.1	-30.6	176	0	0	0	0	0	113.1	P170 E172 L176 D177 A370	P170-A174 WeakPolarHBondContact O-CB 3.36Å; P170-A174 PolarHBondContact O-N 2.93Å; E172-A174 VanDerWaalsContact C-N 3.3Å; E172-A174 PolarHBondContact O-N 3.49Å; A174-L176 PolarHBondContact O-N 3.5Å; A174-D177 PolarHBondContact O-N 2.96Å; A174-A370 HydrophobicContact CB-CB 3.66Å
175	K	92.9	Very high	94.3	Very high	105 Å²	105	42.8 Å²	42.8	46%	0.457	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-16.1	177.1	-58	172	-172.8	171.2	0	113.2	E172 V173 D177	E172-K175 WeakPolarHBondContact O-CB 3.36Å; E172-K175 PolarHBondContact O-N 3.28Å; E172-K175 IonicContact OE1-NZ 3.59Å; E172-K175 PolarHBondContact OE1-NZ 3.4Å; E172-K175 IonicContact OE2-NZ 3.82Å; E172-K175 PolarHBondContact OE2-NZ 3.45Å; V173-K175 PolarHBondContact O-N 2.79Å; K175-D177 VanDerWaalsContact C-N 3.31Å
176	L	94	Very high	94.5	Very high	22 Å²	22	41.1 Å²	41.1	12%	0.115	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-7.9	-179	-58.3	174.2	0	0	0	112.7	V173 A174 G178 K179 I180 V218 L469	V173-L176 VanDerWaalsContact O-CB 3.31Å; V173-L176 WeakPolarHBondContact O-CB 3.5Å; V173-L176 PolarHBondContact O-N 2.95Å; A174-L176 PolarHBondContact O-N 3.5Å; L176-G178 VanDerWaalsContact C-N 3.28Å; L176-G178 PolarHBondContact O-N 3.2Å; L176-K179 PolarHBondContact O-N 3.29Å; L176-I180 HydrophobicContact CB-CD1 4.13Å; L176-I180 VanDerWaalsContact O-CG1 3.31Å; L176-I180 WeakPolarHBondContact O-CG1 3.47Å; L176-I180 PolarHBondContact O-N 2.82Å; L176-V218 HydrophobicContact CD1-CG1 3.99Å; L176-V218 HydrophobicContact CD2-CG1 4.27Å; L176-L469 HydrophobicContact CD1-CD1 3.75Å
177	D	95.6	Very high	94.9	Very high	35 Å²	35	39.5 Å²	39.5	19%	0.187	22%	0.219	C	C	.	.	H	α-helix	trans	-58.8	-37.9	-177.2	68.4	-2.1	0	0	0	112.7	A174 K175 K179 I180 N181 S369 A370 L476	A174-D177 PolarHBondContact O-N 2.96Å; K175-D177 VanDerWaalsContact C-N 3.31Å; D177-K179 PolarHBondContact O-N 3.33Å; D177-I180 PolarHBondContact O-N 3.13Å; D177-N181 VanDerWaalsContact O-CB 3.25Å; D177-N181 WeakPolarHBondContact O-CB 3.27Å; D177-N181 VanDerWaalsContact O-CG 3.23Å; D177-N181 PolarHBondContact O-N 3.49Å; D177-N181 PolarHBondContact O-ND2 3.25Å; D177-S369 WeakPolarHBondContact OD2-CA 3.45Å; D177-S369 WeakPolarHBondContact OD2-CB 3.29Å; D177-A370 HydrophobicContact CB-CB 4.27Å; D177-A370 PolarHBondContact OD2-N 3.41Å; D177-L476 HydrophobicContact CB-CD1 3.92Å
178	G	95.1	Very high	94.9	Very high	35 Å²	35	39.9 Å²	39.9	36%	0.361	22%	0.221	S	C	.	.	H	α-helix	trans	-58	-47.7	175.8	0	0	0	0	0	112.7	L176 N181 Q182	L176-G178 VanDerWaalsContact C-N 3.28Å; L176-G178 PolarHBondContact O-N 3.2Å; G178-N181 PolarHBondContact O-N 2.9Å; G178-Q182 WeakPolarHBondContact O-CG 3.22Å; G178-Q182 PolarHBondContact O-N 3.43Å; G178-Q182 VanDerWaalsContact O-N 3.15Å
179	K	95.3	Very high	94.9	Very high	49 Å²	49	41.5 Å²	41.5	21%	0.213	24%	0.236	C	C	.	.	H	α-helix	trans	-64.1	-44.9	176.4	-71.6	-176.1	172.4	-167.7	0	111.4	L176 D177 N181 Q182 V183 L217 D221	L176-K179 PolarHBondContact O-N 3.29Å; D177-K179 PolarHBondContact O-N 3.33Å; K179-N181 VanDerWaalsContact C-N 3.35Å; K179-N181 PolarHBondContact O-N 3.48Å; K179-Q182 PolarHBondContact O-N 3.15Å; K179-V183 PolarHBondContact O-N 2.98Å; K179-L217 HydrophobicContact CB-CD2 3.87Å; K179-L217 HydrophobicContact CB-CG 4.19Å; K179-L217 HydrophobicContact CD-CG 4.37Å; K179-L217 HydrophobicContact CG-CD2 4.35Å; K179-L217 HydrophobicContact CG-CG 4.37Å; K179-L217 WeakPolarHBondContact O-CD2 3.3Å; K179-D221 WeakPolarHBondContact CE-OD1 3.45Å; K179-D221 IonicContact NZ-OD1 2.92Å; K179-D221 PolarHBondContact NZ-OD1 3.13Å
180	I	97.7	Very high	94.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.8	-43.5	179.8	-64.8	163.9	0	0	0	110.6	L176 D177 Q182 V183 L184 T214 L469 L472 Q473 L476	L176-I180 HydrophobicContact CB-CD1 4.13Å; L176-I180 VanDerWaalsContact O-CG1 3.31Å; L176-I180 WeakPolarHBondContact O-CG1 3.47Å; L176-I180 PolarHBondContact O-N 2.82Å; D177-I180 PolarHBondContact O-N 3.13Å; I180-Q182 VanDerWaalsContact C-N 3.34Å; I180-Q182 PolarHBondContact O-N 3.47Å; I180-V183 PolarHBondContact O-N 2.87Å; I180-L184 HydrophobicContact CG2-CD1 3.72Å; I180-L184 HydrophobicContact CG2-CG 4.29Å; I180-L184 WeakPolarHBondContact O-CG 3.22Å; I180-L184 PolarHBondContact O-N 3.36Å; I180-T214 HydrophobicContact CB-CG2 4.36Å; I180-T214 HydrophobicContact CG1-CG2 3.89Å; I180-T214 HydrophobicContact CG2-CG2 4.28Å; I180-L469 HydrophobicContact CD1-CD1 4.05Å; I180-L472 HydrophobicContact CD1-CD2 3.67Å; I180-L472 HydrophobicContact CD1-CG 3.88Å; I180-Q473 HydrophobicContact CD1-CG 3.77Å; I180-Q473 HydrophobicContact CG1-CG 4.05Å; I180-Q473 HydrophobicContact CG2-CG 4.2Å; I180-L476 HydrophobicContact CB-CD1 4.05Å; I180-L476 HydrophobicContact CD1-CD1 4.4Å; I180-L476 HydrophobicContact CG2-CB 4.34Å; I180-L476 HydrophobicContact CG2-CD1 3.73Å
181	N	97.8	Very high	94.9	Very high	12 Å²	12	35 Å²	35	6%	0.064	20%	0.2	C	C	.	.	H	α-helix	trans	-65.8	-32.9	179.9	-78.3	-44.4	0	0	0	113.3	D177 G178 K179 V183 L184 A185 T367 P368 W480	D177-N181 VanDerWaalsContact O-CB 3.25Å; D177-N181 WeakPolarHBondContact O-CB 3.27Å; D177-N181 VanDerWaalsContact O-CG 3.23Å; D177-N181 PolarHBondContact O-N 3.49Å; D177-N181 PolarHBondContact O-ND2 3.25Å; G178-N181 PolarHBondContact O-N 2.9Å; K179-N181 VanDerWaalsContact C-N 3.35Å; K179-N181 PolarHBondContact O-N 3.48Å; N181-V183 VanDerWaalsContact C-N 3.34Å; N181-L184 PolarHBondContact O-N 3.47Å; N181-A185 WeakPolarHBondContact O-CB 3.33Å; N181-A185 PolarHBondContact O-N 2.96Å; N181-T367 HydrophobicContact CB-CG2 3.92Å; N181-P368 PolarHBondContact ND2-O 2.9Å; N181-P368 PolarHBondContact OD1-O 3.26Å; N181-W480 PolarHBondContact OD1-NE1 3.14Å
182	Q	96.8	Very high	94.6	Very high	107 Å²	107	32.5 Å²	32.5	50%	0.5	19%	0.194	S	C	.	.	H	α-helix	trans	-59.3	-47.3	173.4	-72.5	169.3	16.2	0	0	110.9	G178 K179 I180 A185 D186	G178-Q182 WeakPolarHBondContact O-CG 3.22Å; G178-Q182 PolarHBondContact O-N 3.43Å; G178-Q182 VanDerWaalsContact O-N 3.15Å; K179-Q182 PolarHBondContact O-N 3.15Å; I180-Q182 VanDerWaalsContact C-N 3.34Å; I180-Q182 PolarHBondContact O-N 3.47Å; Q182-A185 PolarHBondContact O-N 3.44Å; Q182-D186 PolarHBondContact O-N 3.27Å
183	V	97.9	Very high	94.5	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-69.8	-35.8	179.4	-174.8	0	0	0	0	111.3	K179 I180 N181 D186 F187 E213 T214 L217 L227	K179-V183 PolarHBondContact O-N 2.98Å; I180-V183 PolarHBondContact O-N 2.87Å; N181-V183 VanDerWaalsContact C-N 3.34Å; V183-D186 PolarHBondContact O-N 2.89Å; V183-F187 WeakPolarHBondContact O-CB 3.46Å; V183-F187 PolarHBondContact O-N 3.36Å; V183-E213 HydrophobicContact CG1-CB 3.8Å; V183-E213 HydrophobicContact CG1-CG 3.67Å; V183-E213 HydrophobicContact CG2-CG 4.18Å; V183-T214 WeakPolarHBondContact CG1-OG1 3.48Å; V183-L217 HydrophobicContact CG2-CB 4.45Å; V183-L217 HydrophobicContact CG2-CD2 3.63Å; V183-L227 HydrophobicContact CG1-CD1 3.69Å; V183-L227 WeakPolarHBondContact O-CD1 3.35Å
184	L	97.8	Very high	94.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.5	-37	176.7	-76.6	171.6	0	0	0	113.4	I180 N181 D186 F187 V188 W210 L476 A477 W480	I180-L184 HydrophobicContact CG2-CD1 3.72Å; I180-L184 HydrophobicContact CG2-CG 4.29Å; I180-L184 WeakPolarHBondContact O-CG 3.22Å; I180-L184 PolarHBondContact O-N 3.36Å; N181-L184 PolarHBondContact O-N 3.47Å; L184-D186 VanDerWaalsContact C-N 3.29Å; L184-D186 PolarHBondContact O-N 3.41Å; L184-F187 PolarHBondContact O-N 3.48Å; L184-V188 WeakPolarHBondContact O-CG2 3.25Å; L184-V188 PolarHBondContact O-N 3.15Å; L184-W210 HydrophobicContact CD2-CZ2 4.05Å; L184-L476 HydrophobicContact CD1-CB 3.54Å; L184-A477 HydrophobicContact CD1-CB 4.44Å; L184-A477 HydrophobicContact CD2-CB 3.67Å; L184-W480 HydrophobicContact CB-CD2 4.29Å; L184-W480 HydrophobicContact CB-CG 4.07Å; L184-W480 HydrophobicContact CD1-CG 4.41Å
185	A	95.8	Very high	93.9	Very high	37 Å²	37	37.8 Å²	37.8	31%	0.306	22%	0.218	S	C	.	.	H	α-helix	trans	-59	-44.9	174.2	0	0	0	0	0	110.8	N181 Q182 S189 W480	N181-A185 WeakPolarHBondContact O-CB 3.33Å; N181-A185 PolarHBondContact O-N 2.96Å; Q182-A185 PolarHBondContact O-N 3.44Å; A185-S189 PolarHBondContact O-N 3.04Å; A185-W480 HydrophobicContact CB-CH2 3.72Å; A185-W480 HydrophobicContact CB-CZ2 4.22Å; A185-W480 HydrophobicContact CB-CZ3 4.22Å
186	D	95.9	Very high	93.6	Very high	54 Å²	54	38.3 Å²	38.3	29%	0.289	23%	0.226	S	C	.	.	H	α-helix	trans	-65.8	-41.3	176.3	-61.9	-33.5	0	0	0	111.6	Q182 V183 L184 S189 R190 R223 L227	Q182-D186 PolarHBondContact O-N 3.27Å; V183-D186 PolarHBondContact O-N 2.89Å; L184-D186 VanDerWaalsContact C-N 3.29Å; L184-D186 PolarHBondContact O-N 3.41Å; D186-S189 PolarHBondContact O-N 2.81Å; D186-R190 WeakPolarHBondContact O-CB 3.22Å; D186-R190 PolarHBondContact O-N 2.88Å; D186-R223 IonicContact OD2-CZ 2.96Å; D186-R223 IonicContact OD2-NH1 3.99Å; D186-R223 PolarHBondContact OD2-NH1 2.65Å; D186-R223 IonicContact OD2-NH2 2.98Å; D186-R223 PolarHBondContact OD2-NH2 2.83Å; D186-L227 HydrophobicContact CB-CB 4.46Å; D186-L227 HydrophobicContact CB-CD1 4.06Å
187	F	96.7	Very high	93.3	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.018	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-45.8	177.7	-178.5	-115.9	0	0	0	112.1	V183 L184 S189 R190 I191 L207 W210 L227 V481	V183-F187 WeakPolarHBondContact O-CB 3.46Å; V183-F187 PolarHBondContact O-N 3.36Å; L184-F187 PolarHBondContact O-N 3.48Å; F187-S189 PolarHBondContact O-N 3.21Å; F187-R190 WeakPolarHBondContact O-CB 3.41Å; F187-R190 PolarHBondContact O-N 3.02Å; F187-R190 VanDerWaalsContact O-N 3.13Å; F187-I191 HydrophobicContact CD1-CD1 4.37Å; F187-I191 HydrophobicContact CE1-CD1 4.07Å; F187-I191 HydrophobicContact CE1-CG1 4.37Å; F187-I191 HydrophobicContact CZ-CG1 4.42Å; F187-I191 WeakPolarHBondContact O-CG1 3.34Å; F187-I191 PolarHBondContact O-N 3.2Å; F187-L207 HydrophobicContact CE1-CD2 4.11Å; F187-L207 HydrophobicContact CZ-CD2 3.65Å; F187-W210 HydrophobicContact CB-CB 4.49Å; F187-W210 HydrophobicContact CB-CG 4.43Å; F187-W210 HydrophobicContact CD1-CG 4.3Å; F187-W210 HydrophobicContact CD2-CB 3.69Å; F187-W210 HydrophobicContact CD2-CG 4.27Å; F187-W210 HydrophobicContact CE2-CB 3.99Å; F187-W210 HydrophobicContact CG-CB 3.99Å; F187-W210 HydrophobicContact CG-CG 4.07Å; F187-L227 HydrophobicContact CB-CD1 3.95Å; F187-L227 HydrophobicContact CD2-CD2 4.12Å; F187-V481 HydrophobicContact CE1-CG2 4.48Å
188	V	94.5	Very high	93	Very high	12 Å²	12	42.7 Å²	42.7	7%	0.073	25%	0.252	C	S	.	.	H	α-helix	trans	-63.7	-41.3	177.3	169.7	0	0	0	0	111.5	L184 R190 I191 W480 D484 Y485	L184-V188 WeakPolarHBondContact O-CG2 3.25Å; L184-V188 PolarHBondContact O-N 3.15Å; V188-R190 VanDerWaalsContact C-N 3.26Å; V188-R190 PolarHBondContact O-N 3.34Å; V188-I191 HydrophobicContact CG2-CD1 4.48Å; V188-I191 WeakPolarHBondContact O-CB 3.34Å; V188-I191 PolarHBondContact O-N 2.92Å; V188-W480 HydrophobicContact CB-CE3 4.24Å; V188-W480 HydrophobicContact CG1-CE3 4.46Å; V188-W480 HydrophobicContact CG2-CB 3.86Å; V188-W480 HydrophobicContact CG2-CD2 4.41Å; V188-W480 HydrophobicContact CG2-CE3 3.9Å; V188-W480 HydrophobicContact CG2-CG 4.46Å; V188-D484 HydrophobicContact CG1-CB 4.35Å; V188-Y485 HydrophobicContact CG1-CE2 4.04Å
189	S	92.6	Very high	92.9	Very high	67 Å²	67	45.1 Å²	45.1	47%	0.469	25%	0.254	S	S	.	.	H	α-helix	trans	-59.3	-41.1	172.8	-173.7	0	0	0	0	111.5	A185 D186 F187 G192 Q193	A185-S189 PolarHBondContact O-N 3.04Å; D186-S189 PolarHBondContact O-N 2.81Å; F187-S189 PolarHBondContact O-N 3.21Å; S189-G192 PolarHBondContact O-N 2.93Å; S189-Q193 WeakPolarHBondContact O-CG 3.43Å
190	R	92.4	Very high	92.7	Very high	16 Å²	16	43.6 Å²	43.6	6%	0.06	25%	0.247	C	C	.	.	H	α-helix	trans	-64.2	-37.6	178.6	-172.9	178.2	-179.3	63.2	13.8	112.5	D186 F187 V188 G192 Q193 V194 E206 L227 D229	D186-R190 WeakPolarHBondContact O-CB 3.22Å; D186-R190 PolarHBondContact O-N 2.88Å; F187-R190 WeakPolarHBondContact O-CB 3.41Å; F187-R190 PolarHBondContact O-N 3.02Å; F187-R190 VanDerWaalsContact O-N 3.13Å; V188-R190 VanDerWaalsContact C-N 3.26Å; V188-R190 PolarHBondContact O-N 3.34Å; R190-G192 PolarHBondContact O-N 3.45Å; R190-Q193 PolarHBondContact O-N 3.47Å; R190-V194 HydrophobicContact CG-CG1 3.84Å; R190-V194 HydrophobicContact CG-CG2 4.03Å; R190-V194 WeakPolarHBondContact O-CG2 3.37Å; R190-V194 PolarHBondContact O-N 3.32Å; R190-E206 IonicContact CZ-OE1 3.24Å; R190-E206 IonicContact CZ-OE2 3.4Å; R190-E206 IonicContact NE-OE1 2.74Å; R190-E206 IonicContact NE-OE2 2.69Å; R190-E206 PolarHBondContact NE-OE2 2.98Å; R190-E206 IonicContact NH2-OE1 3.59Å; R190-E206 PolarHBondContact NH2-OE1 3.37Å; R190-E206 IonicContact NH2-OE2 3.02Å; R190-E206 PolarHBondContact NH2-OE2 3.47Å; R190-L227 WeakPolarHBondContact CD-O 3.41Å; R190-L227 PolarHBondContact NH1-O 3.44Å; R190-D229 IonicContact NH1-OD1 2.89Å
191	I	93.4	Very high	92.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-51.7	-45.3	175.3	-61.4	168.6	0	0	0	110.3	F187 V188 Q193 T195 F200 V481 Y485 F513	F187-I191 HydrophobicContact CD1-CD1 4.37Å; F187-I191 HydrophobicContact CE1-CD1 4.07Å; F187-I191 HydrophobicContact CE1-CG1 4.37Å; F187-I191 HydrophobicContact CZ-CG1 4.42Å; F187-I191 WeakPolarHBondContact O-CG1 3.34Å; F187-I191 PolarHBondContact O-N 3.2Å; V188-I191 HydrophobicContact CG2-CD1 4.48Å; V188-I191 WeakPolarHBondContact O-CB 3.34Å; V188-I191 PolarHBondContact O-N 2.92Å; I191-Q193 PolarHBondContact O-N 2.99Å; I191-T195 HydrophobicContact CG2-CG2 4.17Å; I191-T195 WeakPolarHBondContact O-CB 3.42Å; I191-T195 WeakPolarHBondContact O-CG2 3.42Å; I191-T195 PolarHBondContact O-OG1 3.06Å; I191-F200 HydrophobicContact CB-CZ 4.14Å; I191-F200 HydrophobicContact CG1-CE2 4.42Å; I191-F200 HydrophobicContact CG1-CZ 3.89Å; I191-F200 HydrophobicContact CG2-CE2 4.13Å; I191-F200 HydrophobicContact CG2-CZ 4.08Å; I191-V481 HydrophobicContact CD1-CG2 4.1Å; I191-Y485 HydrophobicContact CB-CE2 4.13Å; I191-Y485 HydrophobicContact CD1-CD2 4.39Å; I191-Y485 HydrophobicContact CD1-CE2 4.25Å; I191-Y485 HydrophobicContact CG2-CD1 4.29Å; I191-Y485 HydrophobicContact CG2-CD2 4.46Å; I191-Y485 HydrophobicContact CG2-CE1 3.79Å; I191-Y485 HydrophobicContact CG2-CE2 3.99Å; I191-F513 HydrophobicContact CG2-CB 3.87Å; I191-F513 HydrophobicContact CG2-CD1 4.24Å; I191-F513 HydrophobicContact CG2-CG 4.02Å
192	G	86.3	Confident	92	Very high	45 Å²	45	53 Å²	53	46%	0.464	30%	0.302	S	S	.	.	H	α-helix	trans	-71	-12.9	179.6	0	0	0	0	0	115.6	S189 R190 Y485	S189-G192 PolarHBondContact O-N 2.93Å; R190-G192 PolarHBondContact O-N 3.45Å; G192-Y485 WeakPolarHBondContact CA-OH 3.34Å; G192-Y485 PolarHBondContact N-OH 2.8Å; G192-Y485 VanDerWaalsContact N-OH 3.16Å
193	Q	88	Confident	92	Very high	119 Å²	119	47.9 Å²	47.9	56%	0.556	28%	0.279	S	S	*	.	H	α-helix	trans	-101.9	-36.7	-175.6	-68.8	170	-9.5	0	0	112.9	S189 R190 I191	S189-Q193 WeakPolarHBondContact O-CG 3.43Å; R190-Q193 PolarHBondContact O-N 3.47Å; I191-Q193 PolarHBondContact O-N 2.99Å
194	V	87.5	Confident	91.8	Very high	43 Å²	43	50.2 Å²	50.2	26%	0.261	29%	0.287	S	S	.	.	H	α-helix	trans	-107.9	3.5	-169.2	-50	0	0	0	0	113.6	R190 F200	R190-V194 HydrophobicContact CG-CG1 3.84Å; R190-V194 HydrophobicContact CG-CG2 4.03Å; R190-V194 WeakPolarHBondContact O-CG2 3.37Å; R190-V194 PolarHBondContact O-N 3.32Å; V194-F200 HydrophobicContact CG2-CD1 3.84Å; V194-F200 HydrophobicContact CG2-CE1 3.34Å; V194-F200 HydrophobicContact CG2-CZ 4.32Å
195	T	87.8	Confident	91.4	Very high	31 Å²	31	53 Å²	53	19%	0.19	30%	0.3	C	S	.	.			trans	-91.5	137.5	174.5	53.4	0	0	0	0	110.9	I191 Q199 F200	I191-T195 HydrophobicContact CG2-CG2 4.17Å; I191-T195 WeakPolarHBondContact O-CB 3.42Å; I191-T195 WeakPolarHBondContact O-CG2 3.42Å; I191-T195 PolarHBondContact O-OG1 3.06Å; T195-Q199 CarbonylContact C-O 3.56Å; T195-Q199 WeakPolarHBondContact CA-O 3.48Å; T195-F200 HydrophobicContact CG2-CD1 4.13Å; T195-F200 HydrophobicContact CG2-CD2 3.65Å; T195-F200 HydrophobicContact CG2-CE1 4Å; T195-F200 HydrophobicContact CG2-CE2 3.49Å; T195-F200 VanDerWaalsContact CG2-CE2 3.49Å; T195-F200 HydrophobicContact CG2-CG 3.98Å; T195-F200 HydrophobicContact CG2-CZ 3.68Å
196	D	87.2	Confident	91.3	Very high	117 Å²	117	52 Å²	52	63%	0.626	29%	0.289	S	S	*	.	B	Isolated β-bridge	trans	-103	118.8	169	-178.8	19.1	0	0	0	108.5	G198 Q199	D196-G198 PolarHBondContact O-N 3.5Å; D196-G198 VanDerWaalsContact O-N 3.12Å; D196-Q199 PolarHBondContact N-O 3.48Å; D196-Q199 PolarHBondContact O-N 2.62Å
197	N	86.7	Confident	91.3	Very high	138 Å²	138	49.5 Å²	49.5	74%	0.738	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	36.3	-170.3	-61.4	-52.9	0	0	0	113.3	Q199	N197-Q199 VanDerWaalsContact C-N 3.28Å; N197-Q199 PolarHBondContact O-N 3.3Å
198	G	90.3	Very high	91.1	Very high	10 Å²	10	50.7 Å²	50.7	10%	0.103	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	-2.4	-177.5	0	0	0	0	0	115	D196 A512 F513	D196-G198 PolarHBondContact O-N 3.5Å; D196-G198 VanDerWaalsContact O-N 3.12Å; G198-A512 CarbonylContact O-C 3.59Å; G198-A512 VanDerWaalsContact O-CA 3.3Å; G198-A512 WeakPolarHBondContact O-CA 3.42Å; G198-F513 WeakPolarHBondContact CA-O 3.45Å; G198-F513 PolarHBondContact O-N 3.09Å
199	Q	93.7	Very high	91.1	Very high	86 Å²	86	51 Å²	51	40%	0.402	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-96.9	142.2	178.4	-65.3	-177.4	62	0	0	111.9	T195 D196 N197 T490 A512	T195-Q199 CarbonylContact C-O 3.56Å; T195-Q199 WeakPolarHBondContact CA-O 3.48Å; D196-Q199 PolarHBondContact N-O 3.48Å; D196-Q199 PolarHBondContact O-N 2.62Å; N197-Q199 VanDerWaalsContact C-N 3.28Å; N197-Q199 PolarHBondContact O-N 3.3Å; Q199-T490 HydrophobicContact CG-CG2 4.01Å; Q199-A512 HydrophobicContact CG-CB 3.68Å
200	F	91	Very high	91.2	Very high	18 Å²	18	47.8 Å²	47.8	8%	0.079	26%	0.26	C	S	.	.			trans	-86.7	149.3	168.8	-75.2	-89	0	0	0	110.3	I191 V194 T195 L203 E206 F513	I191-F200 HydrophobicContact CB-CZ 4.14Å; I191-F200 HydrophobicContact CG1-CE2 4.42Å; I191-F200 HydrophobicContact CG1-CZ 3.89Å; I191-F200 HydrophobicContact CG2-CE2 4.13Å; I191-F200 HydrophobicContact CG2-CZ 4.08Å; V194-F200 HydrophobicContact CG2-CD1 3.84Å; V194-F200 HydrophobicContact CG2-CE1 3.34Å; V194-F200 HydrophobicContact CG2-CZ 4.32Å; T195-F200 HydrophobicContact CG2-CD1 4.13Å; T195-F200 HydrophobicContact CG2-CD2 3.65Å; T195-F200 HydrophobicContact CG2-CE1 4Å; T195-F200 HydrophobicContact CG2-CE2 3.49Å; T195-F200 VanDerWaalsContact CG2-CE2 3.49Å; T195-F200 HydrophobicContact CG2-CG 3.98Å; T195-F200 HydrophobicContact CG2-CZ 3.68Å; F200-L203 HydrophobicContact CB-CB 3.97Å; F200-L203 HydrophobicContact CD2-CB 4.42Å; F200-L203 HydrophobicContact CD2-CD1 3.66Å; F200-L203 HydrophobicContact CE2-CD1 3.85Å; F200-L203 HydrophobicContact CG-CB 4.33Å; F200-L203 HydrophobicContact CG-CD1 4.14Å; F200-L203 HydrophobicContact CZ-CD1 4.47Å; F200-E206 HydrophobicContact CD1-CB 4.22Å; F200-E206 HydrophobicContact CD1-CG 3.81Å; F200-E206 HydrophobicContact CE1-CB 4.1Å; F200-E206 HydrophobicContact CE1-CG 3.93Å; F200-F513 AromaticContact CD2-CD2 3.83Å; F200-F513 HydrophobicContact CD2-CD2 3.83Å; F200-F513 AromaticContact CD2-CE2 3.61Å; F200-F513 HydrophobicContact CD2-CE2 3.61Å; F200-F513 AromaticContact CE2-CD2 3.62Å; F200-F513 HydrophobicContact CE2-CD2 3.62Å; F200-F513 AromaticContact CE2-CE2 3.51Å; F200-F513 HydrophobicContact CE2-CE2 3.51Å; F200-F513 HydrophobicContact CE2-CG 4.36Å; F200-F513 HydrophobicContact CE2-CZ 4.14Å
201	V	89.1	Confident	91.4	Very high	139 Å²	139	47 Å²	47	84%	0.842	26%	0.257	S	S	*	.	S	Bend	trans	-70.3	-40.2	167.8	178.9	0	0	0	0	111.1
202	D	91.5	Very high	91.4	Very high	69 Å²	69	47.1 Å²	47.1	37%	0.369	26%	0.258	S	S	.	.			trans	-146.1	87.7	177.4	-174.8	-20.8	0	0	0	109.1	Y204 F205 E206	D202-Y204 VanDerWaalsContact C-N 3.26Å; D202-Y204 PolarHBondContact O-N 3.26Å; D202-Y204 PolarHBondContact OD1-N 3.43Å; D202-F205 HydrophobicContact CB-CB 4.03Å; D202-F205 PolarHBondContact O-N 2.87Å; D202-F205 VanDerWaalsContact OD1-CB 3.3Å; D202-F205 WeakPolarHBondContact OD1-CB 3.31Å; D202-F205 PolarHBondContact OD1-N 3.28Å; D202-F205 WeakPolarHBondContact OD2-CB 3.31Å; D202-E206 PolarHBondContact O-N 3.35Å
203	L	95.3	Very high	91.8	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-63.6	-35.8	-179.5	175.1	59.8	0	0	0	111.1	F200 F205 E206 L207 L338 I341 E508 L509 V511 F513	F200-L203 HydrophobicContact CB-CB 3.97Å; F200-L203 HydrophobicContact CD2-CB 4.42Å; F200-L203 HydrophobicContact CD2-CD1 3.66Å; F200-L203 HydrophobicContact CE2-CD1 3.85Å; F200-L203 HydrophobicContact CG-CB 4.33Å; F200-L203 HydrophobicContact CG-CD1 4.14Å; F200-L203 HydrophobicContact CZ-CD1 4.47Å; L203-F205 VanDerWaalsContact C-N 3.34Å; L203-F205 PolarHBondContact O-N 3.42Å; L203-E206 PolarHBondContact O-N 2.8Å; L203-L207 HydrophobicContact CD1-CD1 4.08Å; L203-L207 HydrophobicContact CD1-CG 4Å; L203-L207 HydrophobicContact CG-CD1 3.94Å; L203-L207 HydrophobicContact CG-CG 4.31Å; L203-L207 WeakPolarHBondContact O-CG 3.39Å; L203-L207 PolarHBondContact O-N 2.8Å; L203-L338 HydrophobicContact CB-CD1 4.35Å; L203-L338 HydrophobicContact CD2-CD1 3.78Å; L203-L338 HydrophobicContact CG-CD1 3.81Å; L203-I341 HydrophobicContact CD2-CG2 4.14Å; L203-E508 VanDerWaalsContact CB-OE1 3.27Å; L203-E508 WeakPolarHBondContact CB-OE1 3.42Å; L203-E508 PolarHBondContact N-OE1 2.94Å; L203-L509 HydrophobicContact CD2-CD1 4.46Å; L203-V511 HydrophobicContact CD2-CG2 3.63Å; L203-F513 HydrophobicContact CD1-CE2 4.11Å; L203-F513 HydrophobicContact CD1-CZ 4.07Å; L203-F513 HydrophobicContact CD2-CE2 4.19Å; L203-F513 HydrophobicContact CD2-CZ 4.24Å
204	Y	93.5	Very high	92.1	Very high	48 Å²	48	39.4 Å²	39.4	19%	0.188	21%	0.209	C	C	.	.	H	α-helix	trans	-64.9	-41.1	-178.4	-174.9	-136.1	0	0	0	111.4	D202 L207 N208 E331 N335 L338 V504	D202-Y204 VanDerWaalsContact C-N 3.26Å; D202-Y204 PolarHBondContact O-N 3.26Å; D202-Y204 PolarHBondContact OD1-N 3.43Å; Y204-L207 PolarHBondContact O-N 2.77Å; Y204-N208 WeakPolarHBondContact CD2-ND2 3.17Å; Y204-N208 WeakPolarHBondContact CE2-ND2 3.39Å; Y204-N208 WeakPolarHBondContact O-CB 3.44Å; Y204-N208 PolarHBondContact O-N 3.04Å; Y204-N208 PolarHBondContact O-ND2 3.02Å; Y204-E331 WeakPolarHBondContact OH-CG 3.37Å; Y204-E331 PolarHBondContact OH-OE1 3Å; Y204-N335 HydrophobicContact CE2-CB 3.99Å; Y204-L338 HydrophobicContact CD2-CD2 3.67Å; Y204-L338 HydrophobicContact CE2-CD2 4.3Å; Y204-L338 HydrophobicContact CG-CD2 4.12Å; Y204-V504 HydrophobicContact CE1-CG1 4.18Å
205	F	91.1	Very high	92.4	Very high	58 Å²	58	37.6 Å²	37.6	25%	0.254	20%	0.198	S	C	.	.	H	α-helix	trans	-64.7	-41.7	175.5	-177.2	-125.1	0	0	0	112.4	D202 L203 N208 K209	D202-F205 HydrophobicContact CB-CB 4.03Å; D202-F205 PolarHBondContact O-N 2.87Å; D202-F205 VanDerWaalsContact OD1-CB 3.3Å; D202-F205 WeakPolarHBondContact OD1-CB 3.31Å; D202-F205 PolarHBondContact OD1-N 3.28Å; D202-F205 WeakPolarHBondContact OD2-CB 3.31Å; L203-F205 VanDerWaalsContact C-N 3.34Å; L203-F205 PolarHBondContact O-N 3.42Å; F205-N208 WeakPolarHBondContact O-CB 3.37Å; F205-N208 PolarHBondContact O-N 2.98Å; F205-K209 HydrophobicContact CE1-CD 4.37Å; F205-K209 VanDerWaalsContact CZ-CE 3.48Å; F205-K209 PolarHBondContact O-N 2.84Å
206	E	93.3	Very high	92.6	Very high	18 Å²	18	36.1 Å²	36.1	8%	0.084	19%	0.189	C	C	.	.	H	α-helix	trans	-65.9	-38.8	176.8	-68.8	-61.5	154.6	0	0	112.5	R190 F200 D202 L203 N208 K209 W210	R190-E206 IonicContact CZ-OE1 3.24Å; R190-E206 IonicContact CZ-OE2 3.4Å; R190-E206 IonicContact NE-OE1 2.74Å; R190-E206 IonicContact NE-OE2 2.69Å; R190-E206 PolarHBondContact NE-OE2 2.98Å; R190-E206 IonicContact NH2-OE1 3.59Å; R190-E206 PolarHBondContact NH2-OE1 3.37Å; R190-E206 IonicContact NH2-OE2 3.02Å; R190-E206 PolarHBondContact NH2-OE2 3.47Å; F200-E206 HydrophobicContact CD1-CB 4.22Å; F200-E206 HydrophobicContact CD1-CG 3.81Å; F200-E206 HydrophobicContact CE1-CB 4.1Å; F200-E206 HydrophobicContact CE1-CG 3.93Å; D202-E206 PolarHBondContact O-N 3.35Å; L203-E206 PolarHBondContact O-N 2.8Å; E206-N208 VanDerWaalsContact C-N 3.34Å; E206-N208 PolarHBondContact O-N 2.71Å; E206-K209 WeakPolarHBondContact O-CB 3.38Å; E206-K209 PolarHBondContact O-N 2.97Å; E206-K209 IonicContact OE1-NZ 3.65Å; E206-K209 PolarHBondContact OE1-NZ 3.19Å; E206-K209 WeakPolarHBondContact OE2-CD 3.24Å; E206-K209 IonicContact OE2-NZ 2.67Å; E206-W210 PolarHBondContact O-N 2.76Å
207	L	96.2	Very high	92.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.6	-35.1	172.2	-71.2	172.4	0	0	0	112.6	F187 L203 Y204 W210 S211 A334 M337 L338 I341	F187-L207 HydrophobicContact CE1-CD2 4.11Å; F187-L207 HydrophobicContact CZ-CD2 3.65Å; L203-L207 HydrophobicContact CD1-CD1 4.08Å; L203-L207 HydrophobicContact CD1-CG 4Å; L203-L207 HydrophobicContact CG-CD1 3.94Å; L203-L207 HydrophobicContact CG-CG 4.31Å; L203-L207 WeakPolarHBondContact O-CG 3.39Å; L203-L207 PolarHBondContact O-N 2.8Å; Y204-L207 PolarHBondContact O-N 2.77Å; L207-W210 HydrophobicContact CD2-CE3 4.02Å; L207-W210 HydrophobicContact CD2-CZ3 4.45Å; L207-W210 PolarHBondContact O-N 3.1Å; L207-S211 WeakPolarHBondContact O-CB 3.46Å; L207-S211 PolarHBondContact O-N 2.89Å; L207-A334 HydrophobicContact CB-CB 4.01Å; L207-A334 WeakPolarHBondContact O-CB 3.2Å; L207-M337 HydrophobicContact CD2-CB 4.28Å; L207-M337 HydrophobicContact CD2-CG 3.78Å; L207-L338 HydrophobicContact CD1-CB 3.7Å; L207-L338 HydrophobicContact CD1-CD1 3.71Å; L207-L338 HydrophobicContact CD1-CG 4.34Å; L207-I341 HydrophobicContact CD1-CD1 4.03Å; L207-I341 HydrophobicContact CD2-CD1 4.17Å
208	N	92.9	Very high	93.2	Very high	29 Å²	29	24.4 Å²	24.4	16%	0.155	13%	0.127	C	C	.	.	H	α-helix	trans	-65.1	-39.9	173.5	-87.7	-80.1	0	0	0	111.7	Y204 F205 E206 S211 M212 A334	Y204-N208 WeakPolarHBondContact CD2-ND2 3.17Å; Y204-N208 WeakPolarHBondContact CE2-ND2 3.39Å; Y204-N208 WeakPolarHBondContact O-CB 3.44Å; Y204-N208 PolarHBondContact O-N 3.04Å; Y204-N208 PolarHBondContact O-ND2 3.02Å; F205-N208 WeakPolarHBondContact O-CB 3.37Å; F205-N208 PolarHBondContact O-N 2.98Å; E206-N208 VanDerWaalsContact C-N 3.34Å; E206-N208 PolarHBondContact O-N 2.71Å; N208-S211 PolarHBondContact O-N 2.95Å; N208-M212 WeakPolarHBondContact O-CB 3.25Å; N208-M212 PolarHBondContact O-N 3.21Å; N208-A334 HydrophobicContact CB-CB 4.46Å
209	K	92.7	Very high	93.3	Very high	18 Å²	18	24 Å²	24	8%	0.078	12%	0.122	C	C	.	.	H	α-helix	trans	-60.3	-47.5	173.1	-71.9	170.4	178.7	175.5	0	111.5	F205 E206 M212 E213 L226 L227	F205-K209 HydrophobicContact CE1-CD 4.37Å; F205-K209 VanDerWaalsContact CZ-CE 3.48Å; F205-K209 PolarHBondContact O-N 2.84Å; E206-K209 WeakPolarHBondContact O-CB 3.38Å; E206-K209 PolarHBondContact O-N 2.97Å; E206-K209 IonicContact OE1-NZ 3.65Å; E206-K209 PolarHBondContact OE1-NZ 3.19Å; E206-K209 WeakPolarHBondContact OE2-CD 3.24Å; E206-K209 IonicContact OE2-NZ 2.67Å; K209-M212 PolarHBondContact O-N 3.21Å; K209-E213 VanDerWaalsContact O-CB 3.31Å; K209-E213 WeakPolarHBondContact O-CB 3.45Å; K209-E213 PolarHBondContact O-N 3.23Å; K209-L226 HydrophobicContact CB-CB 4.08Å; K209-L226 WeakPolarHBondContact CD-O 3.31Å; K209-L226 HydrophobicContact CG-CB 4.36Å; K209-L227 HydrophobicContact CB-CD2 3.99Å
210	W	95.9	Very high	93.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.7	-50.2	176.5	158.3	65.3	0	0	0	112.4	L184 F187 E206 L207 M212 E213 T214 L227 T333 M337 Q473 L474 A477	L184-W210 HydrophobicContact CD2-CZ2 4.05Å; F187-W210 HydrophobicContact CB-CB 4.49Å; F187-W210 HydrophobicContact CB-CG 4.43Å; F187-W210 HydrophobicContact CD1-CG 4.3Å; F187-W210 HydrophobicContact CD2-CB 3.69Å; F187-W210 HydrophobicContact CD2-CG 4.27Å; F187-W210 HydrophobicContact CE2-CB 3.99Å; F187-W210 HydrophobicContact CG-CB 3.99Å; F187-W210 HydrophobicContact CG-CG 4.07Å; E206-W210 PolarHBondContact O-N 2.76Å; L207-W210 HydrophobicContact CD2-CE3 4.02Å; L207-W210 HydrophobicContact CD2-CZ3 4.45Å; L207-W210 PolarHBondContact O-N 3.1Å; W210-M212 VanDerWaalsContact C-N 3.33Å; W210-M212 PolarHBondContact O-N 3.43Å; W210-E213 PolarHBondContact O-N 3.48Å; W210-T214 PolarHBondContact NE1-OG1 3.12Å; W210-T214 WeakPolarHBondContact O-CB 3.37Å; W210-T214 PolarHBondContact O-N 2.81Å; W210-T214 PolarHBondContact O-OG1 3.16Å; W210-L227 HydrophobicContact CB-CD2 4.34Å; W210-T333 HydrophobicContact CH2-CG2 4.16Å; W210-T333 HydrophobicContact CZ3-CG2 4.44Å; W210-M337 HydrophobicContact CH2-CB 4.32Å; W210-M337 HydrophobicContact CH2-CG 4.34Å; W210-M337 HydrophobicContact CZ3-CB 3.75Å; W210-M337 HydrophobicContact CZ3-CG 3.9Å; W210-Q473 HydrophobicContact CZ2-CB 4.44Å; W210-L474 HydrophobicContact CH2-CD2 4.45Å; W210-A477 HydrophobicContact CH2-CB 3.74Å; W210-A477 HydrophobicContact CZ2-CB 3.54Å
211	S	96.1	Very high	93	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.1	-43.1	-179.4	-175.1	0	0	0	0	111.4	L207 N208 T214 I215 G329 V330	L207-S211 WeakPolarHBondContact O-CB 3.46Å; L207-S211 PolarHBondContact O-N 2.89Å; N208-S211 PolarHBondContact O-N 2.95Å; S211-T214 PolarHBondContact O-N 3.37Å; S211-I215 WeakPolarHBondContact O-CG2 3.47Å; S211-I215 PolarHBondContact O-N 3.25Å; S211-G329 PolarHBondContact OG-O 3.06Å; S211-V330 WeakPolarHBondContact CB-O 3.46Å; S211-V330 WeakPolarHBondContact OG-CA 3.41Å; S211-V330 PolarHBondContact OG-O 2.8Å
212	M	92.8	Very high	93	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.015	9%	0.092	C	C	.	.	H	α-helix	trans	-62.9	-49	176.3	179.1	62.8	-179.6	0	0	112.4	N208 K209 W210 T214 I215 C216 L226 F238 I239 Q326 V330	N208-M212 WeakPolarHBondContact O-CB 3.25Å; N208-M212 PolarHBondContact O-N 3.21Å; K209-M212 PolarHBondContact O-N 3.21Å; W210-M212 VanDerWaalsContact C-N 3.33Å; W210-M212 PolarHBondContact O-N 3.43Å; M212-T214 VanDerWaalsContact C-N 3.27Å; M212-T214 PolarHBondContact O-N 3.32Å; M212-I215 WeakPolarHBondContact O-CG2 3.38Å; M212-I215 PolarHBondContact O-N 3.05Å; M212-C216 WeakPolarHBondContact CE-SG 3.38Å; M212-C216 WeakPolarHBondContact O-CB 3.2Å; M212-C216 PolarHBondContact O-N 3.41Å; M212-C216 PolarHBondContact O-SG 3.45Å; M212-C216 VanDerWaalsContact SD-SG 3.68Å; M212-L226 HydrophobicContact CB-CD1 3.65Å; M212-L226 HydrophobicContact CG-CD1 3.28Å; M212-F238 HydrophobicContact CE-CD1 3.29Å; M212-F238 HydrophobicContact CE-CE1 3.41Å; M212-F238 VanDerWaalsContact CE-CE1 3.41Å; M212-F238 HydrophobicContact SD-CE1 4.35Å; M212-I239 HydrophobicContact CE-CG1 4.46Å; M212-Q326 VanDerWaalsContact CE-NE2 3.34Å; M212-V330 HydrophobicContact CB-CG1 3.88Å; M212-V330 HydrophobicContact CB-CG2 4.21Å; M212-V330 HydrophobicContact SD-CG2 3.61Å
213	E	94.5	Very high	92.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.3	-41.4	177.6	-170.6	72.5	-168.3	0	0	110.8	V183 K209 W210 L217 R223 F224 G225 L226 L227	V183-E213 HydrophobicContact CG1-CB 3.8Å; V183-E213 HydrophobicContact CG1-CG 3.67Å; V183-E213 HydrophobicContact CG2-CG 4.18Å; K209-E213 VanDerWaalsContact O-CB 3.31Å; K209-E213 WeakPolarHBondContact O-CB 3.45Å; K209-E213 PolarHBondContact O-N 3.23Å; W210-E213 PolarHBondContact O-N 3.48Å; E213-L217 WeakPolarHBondContact O-CB 3.42Å; E213-L217 PolarHBondContact O-N 3.3Å; E213-R223 VanDerWaalsContact OE1-CA 3.26Å; E213-R223 WeakPolarHBondContact OE1-CA 3.29Å; E213-R223 WeakPolarHBondContact OE1-CB 3.35Å; E213-R223 IonicContact OE1-CZ 3.2Å; E213-R223 IonicContact OE1-NE 3.83Å; E213-R223 PolarHBondContact OE1-NE 3.47Å; E213-R223 IonicContact OE1-NH2 3.08Å; E213-F224 PolarHBondContact OE1-N 3.21Å; E213-F224 WeakPolarHBondContact OE2-CB 3.45Å; E213-F224 PolarHBondContact OE2-N 3.41Å; E213-G225 VanDerWaalsContact CD-N 3.34Å; E213-G225 PolarHBondContact OE1-N 3.47Å; E213-G225 PolarHBondContact OE2-N 3.01Å; E213-L226 HydrophobicContact CB-CB 4.41Å; E213-L226 HydrophobicContact CB-CD1 4.45Å; E213-L226 WeakPolarHBondContact OE2-CB 3.4Å; E213-L226 WeakPolarHBondContact OE2-CG 3.34Å; E213-L226 PolarHBondContact OE2-N 3.21Å; E213-L227 HydrophobicContact CG-CD1 4.47Å
214	T	96.1	Very high	92.6	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	9%	0.086	C	C	.	.	H	α-helix	trans	-66	-52.1	179.5	-54.2	0	0	0	0	111.8	I180 V183 W210 S211 M212 C216 L217 V218 Q473	I180-T214 HydrophobicContact CB-CG2 4.36Å; I180-T214 HydrophobicContact CG1-CG2 3.89Å; I180-T214 HydrophobicContact CG2-CG2 4.28Å; V183-T214 WeakPolarHBondContact CG1-OG1 3.48Å; W210-T214 PolarHBondContact NE1-OG1 3.12Å; W210-T214 WeakPolarHBondContact O-CB 3.37Å; W210-T214 PolarHBondContact O-N 2.81Å; W210-T214 PolarHBondContact O-OG1 3.16Å; S211-T214 PolarHBondContact O-N 3.37Å; M212-T214 VanDerWaalsContact C-N 3.27Å; M212-T214 PolarHBondContact O-N 3.32Å; T214-C216 VanDerWaalsContact C-N 3.32Å; T214-C216 PolarHBondContact O-N 3.46Å; T214-L217 PolarHBondContact O-N 3.07Å; T214-V218 WeakPolarHBondContact O-CG2 3.34Å; T214-V218 PolarHBondContact O-N 2.93Å; T214-Q473 HydrophobicContact CG2-CG 4.01Å
215	I	93.6	Very high	92.4	Very high	5 Å²	5	17.7 Å²	17.7	3%	0.026	8%	0.084	C	C	.	.	H	α-helix	trans	-66.6	-36	-178.1	-165.4	60.1	0	0	0	111.2	S211 M212 V218 L219 Q326 V330 L469	S211-I215 WeakPolarHBondContact O-CG2 3.47Å; S211-I215 PolarHBondContact O-N 3.25Å; M212-I215 WeakPolarHBondContact O-CG2 3.38Å; M212-I215 PolarHBondContact O-N 3.05Å; I215-V218 PolarHBondContact O-N 3.3Å; I215-L219 HydrophobicContact CD1-CD1 4.09Å; I215-L219 HydrophobicContact CD1-CD2 4.37Å; I215-L219 HydrophobicContact CD1-CG 3.98Å; I215-L219 HydrophobicContact CG1-CD1 3.71Å; I215-L219 HydrophobicContact CG1-CG 3.99Å; I215-L219 WeakPolarHBondContact O-CB 3.44Å; I215-L219 VanDerWaalsContact O-CG 3.25Å; I215-L219 WeakPolarHBondContact O-CG 3.39Å; I215-L219 PolarHBondContact O-N 2.97Å; I215-Q326 HydrophobicContact CG2-CG 4.15Å; I215-V330 HydrophobicContact CG2-CG2 3.69Å; I215-L469 HydrophobicContact CD1-CD2 3.94Å
216	C	92.3	Very high	92.4	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.7	-42	174	-78.6	0	0	0	0	112.5	M212 T214 V218 Y220 K222 F224 Q326	M212-C216 WeakPolarHBondContact CE-SG 3.38Å; M212-C216 WeakPolarHBondContact O-CB 3.2Å; M212-C216 PolarHBondContact O-N 3.41Å; M212-C216 PolarHBondContact O-SG 3.45Å; M212-C216 VanDerWaalsContact SD-SG 3.68Å; T214-C216 VanDerWaalsContact C-N 3.32Å; T214-C216 PolarHBondContact O-N 3.46Å; C216-V218 VanDerWaalsContact C-N 3.32Å; C216-V218 PolarHBondContact O-N 3.4Å; C216-Y220 HydrophobicContact CB-CD2 4.19Å; C216-Y220 WeakPolarHBondContact O-CA 3.48Å; C216-Y220 VanDerWaalsContact O-CB 3.27Å; C216-Y220 WeakPolarHBondContact O-CB 3.47Å; C216-Y220 PolarHBondContact O-N 3.09Å; C216-K222 CarbonylContact C-O 3.56Å; C216-F224 HydrophobicContact CB-CD2 3.47Å; C216-F224 VanDerWaalsContact CB-CD2 3.47Å; C216-F224 HydrophobicContact CB-CE2 3.52Å; C216-F224 VanDerWaalsContact SG-CE2 3.55Å; C216-Q326 PolarHBondContact SG-NE2 2.94Å
217	L	93.3	Very high	92.2	Very high	9 Å²	9	14.3 Å²	14.3	5%	0.047	7%	0.07	C	C	.	.	H	α-helix	trans	-63.7	-40.1	175.7	-177.1	61.5	0	0	0	111.5	K179 V183 E213 T214 D221 K222 R223	K179-L217 HydrophobicContact CB-CD2 3.87Å; K179-L217 HydrophobicContact CB-CG 4.19Å; K179-L217 HydrophobicContact CD-CG 4.37Å; K179-L217 HydrophobicContact CG-CD2 4.35Å; K179-L217 HydrophobicContact CG-CG 4.37Å; K179-L217 WeakPolarHBondContact O-CD2 3.3Å; V183-L217 HydrophobicContact CG2-CB 4.45Å; V183-L217 HydrophobicContact CG2-CD2 3.63Å; E213-L217 WeakPolarHBondContact O-CB 3.42Å; E213-L217 PolarHBondContact O-N 3.3Å; T214-L217 PolarHBondContact O-N 3.07Å; L217-D221 VanDerWaalsContact O-CA 3.22Å; L217-D221 WeakPolarHBondContact O-CA 3.34Å; L217-D221 PolarHBondContact O-N 3.02Å; L217-K222 PolarHBondContact N-O 2.87Å; L217-R223 HydrophobicContact CD1-CG 4.11Å
218	V	92.3	Very high	91.7	Very high	1 Å²	1	19 Å²	19	1%	0.006	9%	0.092	C	C	.	.	H	α-helix	trans	-66.9	-50.7	177.2	171.2	0	0	0	0	111.3	L176 T214 I215 C216 K289 F303 L469	L176-V218 HydrophobicContact CD1-CG1 3.99Å; L176-V218 HydrophobicContact CD2-CG1 4.27Å; T214-V218 WeakPolarHBondContact O-CG2 3.34Å; T214-V218 PolarHBondContact O-N 2.93Å; I215-V218 PolarHBondContact O-N 3.3Å; C216-V218 VanDerWaalsContact C-N 3.32Å; C216-V218 PolarHBondContact O-N 3.4Å; V218-K289 PolarHBondContact O-NZ 2.83Å; V218-F303 HydrophobicContact CG1-CE1 4.03Å; V218-L469 HydrophobicContact CG1-CD2 4.07Å
219	L	91.4	Very high	91	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-75.3	-43.4	-174.1	-64.3	-177.6	0	0	0	112.5	I215 K289 F303 I322 L325 Q326	I215-L219 HydrophobicContact CD1-CD1 4.09Å; I215-L219 HydrophobicContact CD1-CD2 4.37Å; I215-L219 HydrophobicContact CD1-CG 3.98Å; I215-L219 HydrophobicContact CG1-CD1 3.71Å; I215-L219 HydrophobicContact CG1-CG 3.99Å; I215-L219 WeakPolarHBondContact O-CB 3.44Å; I215-L219 VanDerWaalsContact O-CG 3.25Å; I215-L219 WeakPolarHBondContact O-CG 3.39Å; I215-L219 PolarHBondContact O-N 2.97Å; L219-K289 WeakPolarHBondContact O-CD 3.07Å; L219-K289 PolarHBondContact O-NZ 3.25Å; L219-F303 HydrophobicContact CD2-CZ 3.77Å; L219-I322 HydrophobicContact CB-CG2 4.17Å; L219-I322 HydrophobicContact CD1-CG2 4.19Å; L219-I322 HydrophobicContact CD2-CD1 4.38Å; L219-L325 HydrophobicContact CD1-CB 4.25Å; L219-L325 HydrophobicContact CD2-CB 4.39Å; L219-Q326 HydrophobicContact CD1-CB 3.62Å; L219-Q326 HydrophobicContact CD1-CG 4.31Å
220	Y	89.8	Confident	90.1	Very high	5 Å²	5	29.9 Å²	29.9	2%	0.02	15%	0.15	C	C	.	.	H	α-helix	trans	-110.2	-8.3	-168.7	-55.7	-47.1	0	0	0	114.8	C216 K222 F224 I286 I322 Q326	C216-Y220 HydrophobicContact CB-CD2 4.19Å; C216-Y220 WeakPolarHBondContact O-CA 3.48Å; C216-Y220 VanDerWaalsContact O-CB 3.27Å; C216-Y220 WeakPolarHBondContact O-CB 3.47Å; C216-Y220 PolarHBondContact O-N 3.09Å; Y220-K222 PolarHBondContact O-N 3.18Å; Y220-F224 HydrophobicContact CD2-CE2 4.18Å; Y220-I286 HydrophobicContact CD1-CG1 4.11Å; Y220-I286 HydrophobicContact CE1-CD1 4.18Å; Y220-I286 HydrophobicContact CE1-CG1 3.81Å; Y220-I322 HydrophobicContact CD1-CG2 4.36Å; Y220-I322 HydrophobicContact CE1-CG2 3.49Å; Y220-I322 VanDerWaalsContact CE1-CG2 3.49Å; Y220-Q326 PolarHBondContact OH-OE1 2.6Å
221	D	89.1	Confident	89.1	Confident	58 Å²	58	31.9 Å²	31.9	31%	0.31	16%	0.163	S	C	.	.	S	Bend	trans	56.3	38	-172.9	-154.8	48.5	0	0	0	111.9	K179 L217 K289	K179-D221 WeakPolarHBondContact CE-OD1 3.45Å; K179-D221 IonicContact NZ-OD1 2.92Å; K179-D221 PolarHBondContact NZ-OD1 3.13Å; L217-D221 VanDerWaalsContact O-CA 3.22Å; L217-D221 WeakPolarHBondContact O-CA 3.34Å; L217-D221 PolarHBondContact O-N 3.02Å; D221-K289 HydrophobicContact CB-CD 4.29Å
222	K	88.7	Confident	88.1	Confident	80 Å²	80	34.4 Å²	34.4	35%	0.348	18%	0.176	S	C	.	.			trans	-135.4	124.8	-175.7	178.3	62.9	176.7	163.2	0	110.7	C216 L217 Y220 F224 Y285	C216-K222 CarbonylContact C-O 3.56Å; L217-K222 PolarHBondContact N-O 2.87Å; Y220-K222 PolarHBondContact O-N 3.18Å; K222-F224 HydrophobicContact CB-CE2 4.23Å; K222-F224 HydrophobicContact CG-CD2 4.13Å; K222-F224 HydrophobicContact CG-CE2 3.91Å; K222-F224 HydrophobicContact CG-CZ 4.39Å; K222-Y285 HydrophobicContact CB-CD1 4.25Å; K222-Y285 HydrophobicContact CB-CE1 4.31Å; K222-Y285 HydrophobicContact CD-CE1 4.12Å; K222-Y285 HydrophobicContact CG-CD1 4.13Å; K222-Y285 HydrophobicContact CG-CE1 3.69Å
223	R	90.8	Very high	87.5	Confident	65 Å²	65	42.1 Å²	42.1	25%	0.245	21%	0.212	C	C	.	.			trans	-78.1	123.5	162.4	-62.1	-65.6	-57.6	-96	-12.7	108.9	D186 E213 L217	D186-R223 IonicContact OD2-CZ 2.96Å; D186-R223 IonicContact OD2-NH1 3.99Å; D186-R223 PolarHBondContact OD2-NH1 2.65Å; D186-R223 IonicContact OD2-NH2 2.98Å; D186-R223 PolarHBondContact OD2-NH2 2.83Å; E213-R223 VanDerWaalsContact OE1-CA 3.26Å; E213-R223 WeakPolarHBondContact OE1-CA 3.29Å; E213-R223 WeakPolarHBondContact OE1-CB 3.35Å; E213-R223 IonicContact OE1-CZ 3.2Å; E213-R223 IonicContact OE1-NE 3.83Å; E213-R223 PolarHBondContact OE1-NE 3.47Å; E213-R223 IonicContact OE1-NH2 3.08Å; L217-R223 HydrophobicContact CD1-CG 4.11Å
224	F	88.4	Confident	86.8	Confident	5 Å²	5	46.2 Å²	46.2	2%	0.022	23%	0.231	C	C	.	.			trans	-89.6	-13.4	174.9	-80	-97.5	0	0	0	111.4	E213 C216 Y220 K222 L226 N232 A235 Y285	E213-F224 PolarHBondContact OE1-N 3.21Å; E213-F224 WeakPolarHBondContact OE2-CB 3.45Å; E213-F224 PolarHBondContact OE2-N 3.41Å; C216-F224 HydrophobicContact CB-CD2 3.47Å; C216-F224 VanDerWaalsContact CB-CD2 3.47Å; C216-F224 HydrophobicContact CB-CE2 3.52Å; C216-F224 VanDerWaalsContact SG-CE2 3.55Å; Y220-F224 HydrophobicContact CD2-CE2 4.18Å; K222-F224 HydrophobicContact CB-CE2 4.23Å; K222-F224 HydrophobicContact CG-CD2 4.13Å; K222-F224 HydrophobicContact CG-CE2 3.91Å; K222-F224 HydrophobicContact CG-CZ 4.39Å; F224-L226 HydrophobicContact CB-CG 4.09Å; F224-N232 PolarHBondContact O-ND2 3.26Å; F224-N232 VanDerWaalsContact O-ND2 3.1Å; F224-N232 PolarHBondContact O-OD1 3.48Å; F224-A235 HydrophobicContact CB-CB 4.03Å; F224-A235 HydrophobicContact CD1-CB 3.77Å; F224-A235 HydrophobicContact CG-CB 4.31Å; F224-Y285 AromaticContact CE1-CE2 3.83Å; F224-Y285 HydrophobicContact CE1-CE2 3.83Å; F224-Y285 AromaticContact CZ-CD2 3.92Å; F224-Y285 HydrophobicContact CZ-CD2 3.92Å; F224-Y285 AromaticContact CZ-CE2 3.57Å; F224-Y285 HydrophobicContact CZ-CE2 3.57Å; F224-Y285 AromaticContact CZ-CZ 3.94Å
225	G	90.1	Very high	85.9	Confident	14 Å²	14	46.1 Å²	46.1	14%	0.144	23%	0.231	C	C	.	.			trans	76.1	25	176.5	0	0	0	0	0	113.4	E213 L227 H228	E213-G225 VanDerWaalsContact CD-N 3.34Å; E213-G225 PolarHBondContact OE1-N 3.47Å; E213-G225 PolarHBondContact OE2-N 3.01Å; G225-L227 PolarHBondContact O-N 2.79Å; G225-L227 VanDerWaalsContact O-N 3.13Å; G225-H228 PolarHBondContact O-N 3.2Å
226	L	90.1	Very high	85.3	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-17.6	-176.9	-65.9	177	0	0	0	114.2	K209 M212 E213 F224 V231 A235 I239	K209-L226 HydrophobicContact CB-CB 4.08Å; K209-L226 WeakPolarHBondContact CD-O 3.31Å; K209-L226 HydrophobicContact CG-CB 4.36Å; M212-L226 HydrophobicContact CB-CD1 3.65Å; M212-L226 HydrophobicContact CG-CD1 3.28Å; E213-L226 HydrophobicContact CB-CB 4.41Å; E213-L226 HydrophobicContact CB-CD1 4.45Å; E213-L226 WeakPolarHBondContact OE2-CB 3.4Å; E213-L226 WeakPolarHBondContact OE2-CG 3.34Å; E213-L226 PolarHBondContact OE2-N 3.21Å; F224-L226 HydrophobicContact CB-CG 4.09Å; L226-V231 HydrophobicContact CD2-CG1 3.57Å; L226-A235 HydrophobicContact CD2-CB 3.44Å; L226-A235 VanDerWaalsContact CD2-CB 3.44Å; L226-A235 HydrophobicContact CG-CB 4.33Å; L226-I239 HydrophobicContact CD1-CD1 4.05Å; L226-I239 HydrophobicContact CD2-CD1 3.66Å
227	L	90.4	Very high	84.9	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.026	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-4.2	-177.8	-58.8	179.9	0	0	0	113.3	V183 D186 F187 R190 K209 W210 E213 G225	V183-L227 HydrophobicContact CG1-CD1 3.69Å; V183-L227 WeakPolarHBondContact O-CD1 3.35Å; D186-L227 HydrophobicContact CB-CB 4.46Å; D186-L227 HydrophobicContact CB-CD1 4.06Å; F187-L227 HydrophobicContact CB-CD1 3.95Å; F187-L227 HydrophobicContact CD2-CD2 4.12Å; R190-L227 WeakPolarHBondContact CD-O 3.41Å; R190-L227 PolarHBondContact NH1-O 3.44Å; K209-L227 HydrophobicContact CB-CD2 3.99Å; W210-L227 HydrophobicContact CB-CD2 4.34Å; E213-L227 HydrophobicContact CG-CD1 4.47Å; G225-L227 PolarHBondContact O-N 2.79Å; G225-L227 VanDerWaalsContact O-N 3.13Å
228	H	85.4	Confident	84.5	Confident	99 Å²	99	51.8 Å²	51.8	46%	0.458	26%	0.262	S	S	.	.	S	Bend	trans	-89.6	162.3	172.2	-55.2	-71.1	0	0	0	110.6	G225 N230	G225-H228 PolarHBondContact O-N 3.2Å; H228-N230 VanDerWaalsContact C-N 3.3Å; H228-N230 PolarHBondContact O-N 2.92Å
229	D	77.9	Confident	84	Confident	123 Å²	123	53 Å²	53	66%	0.658	27%	0.268	S	S	*	.	S	Bend	trans	-63.1	-37	-176.7	-61.3	-31.9	0	0	0	112.8	R190 V231	R190-D229 IonicContact NH1-OD1 2.89Å; D229-V231 PolarHBondContact O-N 3.24Å
230	N	73.5	Confident	83.8	Confident	152 Å²	152	56 Å²	56	81%	0.813	29%	0.286	S	S	*	.	S	Bend	trans	-97.3	92	177.1	-66.9	-29.4	0	0	0	110.2	H228	H228-N230 VanDerWaalsContact C-N 3.3Å; H228-N230 PolarHBondContact O-N 2.92Å
231	V	74.1	Confident	83.8	Confident	42 Å²	42	55.9 Å²	55.9	26%	0.255	29%	0.286	S	S	.	.			trans	-70.2	131.1	172.9	-171.7	0	0	0	0	109.3	L226 D229 A235 M236	L226-V231 HydrophobicContact CD2-CG1 3.57Å; D229-V231 PolarHBondContact O-N 3.24Å; V231-A235 HydrophobicContact CG1-CB 4.47Å; V231-M236 HydrophobicContact CB-CG 4.22Å; V231-M236 HydrophobicContact CB-SD 4.41Å; V231-M236 HydrophobicContact CG1-CG 3.72Å; V231-M236 HydrophobicContact CG1-SD 3.88Å
232	N	75.4	Confident	83.8	Confident	53 Å²	53	54.2 Å²	54.2	28%	0.283	28%	0.277	S	S	.	.			trans	-66.1	146.7	177.7	65.2	6.9	0	0	0	111.9	F224 E234 A235 M236	F224-N232 PolarHBondContact O-ND2 3.26Å; F224-N232 VanDerWaalsContact O-ND2 3.1Å; F224-N232 PolarHBondContact O-OD1 3.48Å; N232-E234 PolarHBondContact O-N 2.75Å; N232-A235 PolarHBondContact O-N 3.46Å; N232-A235 WeakPolarHBondContact OD1-CA 3.41Å; N232-A235 WeakPolarHBondContact OD1-CB 3.44Å; N232-A235 PolarHBondContact OD1-N 3.07Å; N232-M236 PolarHBondContact O-N 3.25Å
233	E	80.4	Confident	83.6	Confident	165 Å²	165	56.4 Å²	56.4	77%	0.771	29%	0.287	S	S	*	.	H	α-helix	trans	-60.9	-32.3	179.8	-169.9	179.4	179.9	0	0	112.1	M236 T237	E233-M236 PolarHBondContact O-N 2.88Å; E233-T237 WeakPolarHBondContact O-CB 3.24Å; E233-T237 PolarHBondContact O-N 3.46Å; E233-T237 PolarHBondContact O-OG1 3.41Å
234	E	79.3	Confident	83.6	Confident	85 Å²	85	55.6 Å²	55.6	40%	0.397	29%	0.289	S	S	.	.	H	α-helix	trans	-61.9	-48.1	177.5	-170.5	-176.5	175.1	0	0	112.2	N232 T237 F238 Y285	N232-E234 PolarHBondContact O-N 2.75Å; E234-T237 PolarHBondContact O-N 3.23Å; E234-F238 WeakPolarHBondContact O-CB 3.37Å; E234-F238 PolarHBondContact O-N 2.66Å; E234-Y285 VanDerWaalsContact OE1-CE2 3.27Å; E234-Y285 WeakPolarHBondContact OE1-CE2 3.07Å; E234-Y285 VanDerWaalsContact OE1-CZ 3.28Å; E234-Y285 PolarHBondContact OE1-OH 3.02Å; E234-Y285 PolarHBondContact OE2-OH 2.76Å; E234-Y285 VanDerWaalsContact OE2-OH 3.06Å
235	A	78.6	Confident	83.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-70.6	-36.2	179	0	0	0	0	0	111.9	F224 L226 V231 N232 T237 F238 I239	F224-A235 HydrophobicContact CB-CB 4.03Å; F224-A235 HydrophobicContact CD1-CB 3.77Å; F224-A235 HydrophobicContact CG-CB 4.31Å; L226-A235 HydrophobicContact CD2-CB 3.44Å; L226-A235 VanDerWaalsContact CD2-CB 3.44Å; L226-A235 HydrophobicContact CG-CB 4.33Å; V231-A235 HydrophobicContact CG1-CB 4.47Å; N232-A235 PolarHBondContact O-N 3.46Å; N232-A235 WeakPolarHBondContact OD1-CA 3.41Å; N232-A235 WeakPolarHBondContact OD1-CB 3.44Å; N232-A235 PolarHBondContact OD1-N 3.07Å; A235-T237 VanDerWaalsContact C-N 3.34Å; A235-T237 PolarHBondContact O-N 3.07Å; A235-F238 PolarHBondContact O-N 3.24Å; A235-I239 WeakPolarHBondContact O-CB 3.47Å; A235-I239 VanDerWaalsContact O-CG1 3.28Å; A235-I239 WeakPolarHBondContact O-CG1 3.31Å; A235-I239 PolarHBondContact O-N 2.92Å
236	M	80.6	Confident	83.6	Confident	72 Å²	72	57.1 Å²	57.1	36%	0.355	29%	0.293	S	S	.	.	H	α-helix	trans	-62.2	-42.9	175.5	-75.1	-55.4	-62.4	0	0	111.8	V231 N232 E233 F238 I239 T240	V231-M236 HydrophobicContact CB-CG 4.22Å; V231-M236 HydrophobicContact CB-SD 4.41Å; V231-M236 HydrophobicContact CG1-CG 3.72Å; V231-M236 HydrophobicContact CG1-SD 3.88Å; N232-M236 PolarHBondContact O-N 3.25Å; E233-M236 PolarHBondContact O-N 2.88Å; M236-F238 VanDerWaalsContact C-N 3.33Å; M236-F238 PolarHBondContact O-N 2.79Å; M236-I239 PolarHBondContact O-N 3.45Å; M236-T240 WeakPolarHBondContact O-CB 3.12Å; M236-T240 PolarHBondContact O-N 3.36Å; M236-T240 PolarHBondContact O-OG1 2.84Å
237	T	84.4	Confident	83.4	Confident	59 Å²	59	61 Å²	61	36%	0.362	32%	0.321	S	S	.	.	H	α-helix	trans	-60.3	-45.7	174.6	-61.9	0	0	0	0	110.8	E233 E234 A235 T240 S241	E233-T237 WeakPolarHBondContact O-CB 3.24Å; E233-T237 PolarHBondContact O-N 3.46Å; E233-T237 PolarHBondContact O-OG1 3.41Å; E234-T237 PolarHBondContact O-N 3.23Å; A235-T237 VanDerWaalsContact C-N 3.34Å; A235-T237 PolarHBondContact O-N 3.07Å; T237-T240 PolarHBondContact O-N 3.39Å; T237-S241 PolarHBondContact O-N 2.87Å; T237-S241 PolarHBondContact O-OG 3.18Å
238	F	83	Confident	83.4	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.009	32%	0.323	C	S	.	.	H	α-helix	trans	-65.6	-44.5	-179.6	-175	-92.5	0	0	0	113	M212 E234 A235 M236 T240 S241 I242 I278 T281 Q326	M212-F238 HydrophobicContact CE-CD1 3.29Å; M212-F238 HydrophobicContact CE-CE1 3.41Å; M212-F238 VanDerWaalsContact CE-CE1 3.41Å; M212-F238 HydrophobicContact SD-CE1 4.35Å; E234-F238 WeakPolarHBondContact O-CB 3.37Å; E234-F238 PolarHBondContact O-N 2.66Å; A235-F238 PolarHBondContact O-N 3.24Å; M236-F238 VanDerWaalsContact C-N 3.33Å; M236-F238 PolarHBondContact O-N 2.79Å; F238-T240 VanDerWaalsContact C-N 3.33Å; F238-T240 PolarHBondContact O-N 3Å; F238-S241 WeakPolarHBondContact O-CB 3.49Å; F238-S241 PolarHBondContact O-N 3.46Å; F238-I242 HydrophobicContact CD1-CD1 3.97Å; F238-I242 HydrophobicContact CE1-CD1 3.28Å; F238-I242 HydrophobicContact CE1-CG1 4.1Å; F238-I242 HydrophobicContact CZ-CD1 3.84Å; F238-I242 HydrophobicContact CZ-CG1 4.41Å; F238-I242 PolarHBondContact O-N 3.47Å; F238-I278 HydrophobicContact CE2-CB 4.27Å; F238-I278 HydrophobicContact CE2-CG1 4.34Å; F238-I278 HydrophobicContact CE2-CG2 4.12Å; F238-I278 HydrophobicContact CZ-CG2 4.3Å; F238-T281 VanDerWaalsContact CD2-CB 3.49Å; F238-T281 HydrophobicContact CD2-CG2 3.54Å; F238-T281 HydrophobicContact CE2-CG2 3.94Å; F238-T281 HydrophobicContact CG-CG2 4.24Å; F238-Q326 VanDerWaalsContact CZ-OE1 3.24Å
239	I	82	Confident	83.4	Confident	25 Å²	25	59 Å²	59	13%	0.128	31%	0.311	C	S	.	.	H	α-helix	trans	-60.2	-44.8	175.2	-71.6	167.4	0	0	0	110.5	M212 L226 A235 M236 S241 I242 K243	M212-I239 HydrophobicContact CE-CG1 4.46Å; L226-I239 HydrophobicContact CD1-CD1 4.05Å; L226-I239 HydrophobicContact CD2-CD1 3.66Å; A235-I239 WeakPolarHBondContact O-CB 3.47Å; A235-I239 VanDerWaalsContact O-CG1 3.28Å; A235-I239 WeakPolarHBondContact O-CG1 3.31Å; A235-I239 PolarHBondContact O-N 2.92Å; M236-I239 PolarHBondContact O-N 3.45Å; I239-S241 VanDerWaalsContact C-N 3.31Å; I239-S241 PolarHBondContact O-N 3.4Å; I239-I242 PolarHBondContact O-N 2.96Å; I239-K243 PolarHBondContact O-N 2.92Å
240	T	87.1	Confident	83.6	Confident	66 Å²	66	54.7 Å²	54.7	41%	0.405	30%	0.296	S	S	.	.	H	α-helix	trans	-61.9	-41.6	178.6	-57	0	0	0	0	110.8	M236 T237 F238 I242 K243 T244	M236-T240 WeakPolarHBondContact O-CB 3.12Å; M236-T240 PolarHBondContact O-N 3.36Å; M236-T240 PolarHBondContact O-OG1 2.84Å; T237-T240 PolarHBondContact O-N 3.39Å; F238-T240 VanDerWaalsContact C-N 3.33Å; F238-T240 PolarHBondContact O-N 3Å; T240-I242 PolarHBondContact O-N 2.82Å; T240-K243 PolarHBondContact O-N 2.81Å; T240-T244 PolarHBondContact O-N 2.89Å; T240-T244 PolarHBondContact O-OG1 3.21Å; T240-T244 VanDerWaalsContact O-OG1 3.11Å
241	S	91.6	Very high	84	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.014	28%	0.277	C	S	.	.	H	α-helix	trans	-61.1	-41.7	174	-77.3	0	0	0	0	113	T237 F238 I239 T244 M245 A274 R277	T237-S241 PolarHBondContact O-N 2.87Å; T237-S241 PolarHBondContact O-OG 3.18Å; F238-S241 WeakPolarHBondContact O-CB 3.49Å; F238-S241 PolarHBondContact O-N 3.46Å; I239-S241 VanDerWaalsContact C-N 3.31Å; I239-S241 PolarHBondContact O-N 3.4Å; S241-T244 PolarHBondContact O-N 2.87Å; S241-M245 VanDerWaalsContact O-CB 3.28Å; S241-M245 WeakPolarHBondContact O-CB 3.26Å; S241-M245 PolarHBondContact O-N 3.25Å; S241-A274 WeakPolarHBondContact O-CB 3.45Å; S241-R277 VanDerWaalsContact OG-CB 3.3Å; S241-R277 WeakPolarHBondContact OG-CB 3.26Å; S241-R277 WeakPolarHBondContact OG-CD 3.43Å
242	I	87.3	Confident	84.7	Confident	24 Å²	24	48 Å²	48	12%	0.123	27%	0.265	C	S	.	.	H	α-helix	trans	-61.8	-46.3	174.8	-70.5	177.7	0	0	0	110.8	F238 I239 T240 T244 M245 M246 I278	F238-I242 HydrophobicContact CD1-CD1 3.97Å; F238-I242 HydrophobicContact CE1-CD1 3.28Å; F238-I242 HydrophobicContact CE1-CG1 4.1Å; F238-I242 HydrophobicContact CZ-CD1 3.84Å; F238-I242 HydrophobicContact CZ-CG1 4.41Å; F238-I242 PolarHBondContact O-N 3.47Å; I239-I242 PolarHBondContact O-N 2.96Å; T240-I242 PolarHBondContact O-N 2.82Å; I242-T244 PolarHBondContact O-N 2.97Å; I242-M245 PolarHBondContact O-N 2.98Å; I242-M246 HydrophobicContact CG2-CG 4.37Å; I242-M246 WeakPolarHBondContact O-CG 3.45Å; I242-M246 PolarHBondContact O-N 2.63Å; I242-I278 HydrophobicContact CG1-CD1 3.93Å; I242-I278 HydrophobicContact CG1-CG1 4.09Å
243	K	85.4	Confident	85	Confident	125 Å²	125	49 Å²	49	54%	0.543	27%	0.269	S	S	.	.	H	α-helix	trans	-59.3	-45.8	178	-73	-175.5	175.6	-174.2	0	111.8	I239 T240 M246 S247	I239-K243 PolarHBondContact O-N 2.92Å; T240-K243 PolarHBondContact O-N 2.81Å; K243-M246 PolarHBondContact O-N 2.95Å; K243-S247 PolarHBondContact O-N 3.22Å; K243-S247 PolarHBondContact O-OG 3.41Å
244	T	90.7	Very high	85	Confident	48 Å²	48	46.9 Å²	46.9	29%	0.294	27%	0.267	S	S	.	.	H	α-helix	trans	-65.7	-40.5	177.8	-59.4	0	0	0	0	112	T240 S241 I242 M246 S247 T248 D270 A274	T240-T244 PolarHBondContact O-N 2.89Å; T240-T244 PolarHBondContact O-OG1 3.21Å; T240-T244 VanDerWaalsContact O-OG1 3.11Å; S241-T244 PolarHBondContact O-N 2.87Å; I242-T244 PolarHBondContact O-N 2.97Å; T244-M246 VanDerWaalsContact C-N 3.34Å; T244-M246 PolarHBondContact O-N 3.13Å; T244-S247 PolarHBondContact O-N 3.12Å; T244-S247 PolarHBondContact O-OG 3.16Å; T244-T248 HydrophobicContact CG2-CG2 4.21Å; T244-T248 WeakPolarHBondContact O-CB 3.48Å; T244-T248 VanDerWaalsContact O-CG2 3.25Å; T244-T248 WeakPolarHBondContact O-CG2 3.41Å; T244-T248 PolarHBondContact O-N 2.98Å; T244-T248 VanDerWaalsContact O-N 3.07Å; T244-T248 PolarHBondContact O-OG1 3Å; T244-D270 HydrophobicContact CG2-CB 4.24Å; T244-A274 HydrophobicContact CG2-CB 4.13Å
245	M	92.8	Very high	85.1	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-45	174.8	-179.5	-78.1	-65.6	0	0	111.1	W135 S241 I242 T248 F249 A274 W275 I278 I327	W135-M245 HydrophobicContact CZ2-CE 4.25Å; W135-M245 HydrophobicContact CZ2-SD 3.85Å; S241-M245 VanDerWaalsContact O-CB 3.28Å; S241-M245 WeakPolarHBondContact O-CB 3.26Å; S241-M245 PolarHBondContact O-N 3.25Å; I242-M245 PolarHBondContact O-N 2.98Å; M245-T248 PolarHBondContact O-OG1 2.96Å; M245-F249 WeakPolarHBondContact O-CD1 3.41Å; M245-F249 PolarHBondContact O-N 3Å; M245-F249 HydrophobicContact SD-CD1 4.5Å; M245-A274 HydrophobicContact CB-CB 3.98Å; M245-W275 HydrophobicContact CE-CH2 4.05Å; M245-W275 HydrophobicContact CE-CZ2 4Å; M245-W275 HydrophobicContact CG-CD2 3.78Å; M245-W275 HydrophobicContact CG-CE3 4.47Å; M245-W275 HydrophobicContact CG-CG 4.1Å; M245-W275 HydrophobicContact CG-CH2 4.35Å; M245-W275 HydrophobicContact CG-CZ2 3.62Å; M245-W275 HydrophobicContact SD-CH2 4.1Å; M245-W275 HydrophobicContact SD-CZ2 3.43Å; M245-W275 WeakPolarHBondContact SD-CZ2 3.34Å; M245-I278 HydrophobicContact CB-CD1 3.92Å; M245-I278 HydrophobicContact CE-CD1 4.46Å; M245-I278 HydrophobicContact CG-CD1 4.19Å; M245-I327 HydrophobicContact CE-CD1 3.86Å; M245-I327 HydrophobicContact CE-CG1 4.33Å; M245-I327 HydrophobicContact CE-CG2 3.98Å
246	M	86.3	Confident	85.6	Confident	51 Å²	51	49.2 Å²	49.2	25%	0.251	29%	0.289	S	S	.	.	H	α-helix	trans	-65.6	-40.8	179.1	-72.3	-56.4	-158.6	0	0	113.1	W135 I242 K243 T244 F249 I327	W135-M246 HydrophobicContact CZ2-SD 4.29Å; I242-M246 HydrophobicContact CG2-CG 4.37Å; I242-M246 WeakPolarHBondContact O-CG 3.45Å; I242-M246 PolarHBondContact O-N 2.63Å; K243-M246 PolarHBondContact O-N 2.95Å; T244-M246 VanDerWaalsContact C-N 3.34Å; T244-M246 PolarHBondContact O-N 3.13Å; M246-F249 HydrophobicContact CB-CE1 4.4Å; M246-F249 WeakPolarHBondContact O-CD1 3.44Å; M246-F249 WeakPolarHBondContact O-CE1 3.48Å; M246-F249 HydrophobicContact SD-CD1 4.24Å; M246-F249 HydrophobicContact SD-CE1 3.7Å; M246-I327 HydrophobicContact CE-CG2 3.34Å
247	S	84.9	Confident	86.2	Confident	84 Å²	84	46 Å²	46	59%	0.587	27%	0.273	S	S	*	.	H	α-helix	trans	-72.8	-32.9	179.9	65.6	0	0	0	0	112.9	K243 T244	K243-S247 PolarHBondContact O-N 3.22Å; K243-S247 PolarHBondContact O-OG 3.41Å; T244-S247 PolarHBondContact O-N 3.12Å; T244-S247 PolarHBondContact O-OG 3.16Å
248	T	89.9	Confident	86.6	Confident	12 Å²	12	48.2 Å²	48.2	7%	0.074	28%	0.28	C	S	.	.	H	α-helix	trans	-81.3	-34.3	-176.4	52	0	0	0	0	114.1	T244 M245 G250 M252 T267 D270 H271	T244-T248 HydrophobicContact CG2-CG2 4.21Å; T244-T248 WeakPolarHBondContact O-CB 3.48Å; T244-T248 VanDerWaalsContact O-CG2 3.25Å; T244-T248 WeakPolarHBondContact O-CG2 3.41Å; T244-T248 PolarHBondContact O-N 2.98Å; T244-T248 VanDerWaalsContact O-N 3.07Å; T244-T248 PolarHBondContact O-OG1 3Å; M245-T248 PolarHBondContact O-OG1 2.96Å; T248-G250 VanDerWaalsContact C-N 3.33Å; T248-G250 PolarHBondContact O-N 2.03Å; T248-M252 WeakPolarHBondContact O-CE 3.04Å; T248-T267 HydrophobicContact CG2-CG2 4.25Å; T248-D270 HydrophobicContact CG2-CB 4.11Å; T248-H271 WeakPolarHBondContact OG1-CB 3.22Å; T248-H271 PolarHBondContact OG1-ND1 3.27Å
249	F	86.9	Confident	87.1	Confident	48 Å²	48	52.3 Å²	52.3	21%	0.211	30%	0.301	C	S	.	.	H	α-helix	trans	-67.2	-35	-179	90.7	-87.8	0	0	0	112.2	I132 P134 W135 M245 M246 A251 M252 M253	I132-F249 HydrophobicContact CG2-CD2 4.2Å; P134-F249 HydrophobicContact CB-CB 4.23Å; W135-F249 AromaticContact NE1-CD1 3.97Å; W135-F249 AromaticContact NE1-CD2 3.97Å; W135-F249 AromaticContact NE1-CG 3.55Å; M245-F249 WeakPolarHBondContact O-CD1 3.41Å; M245-F249 PolarHBondContact O-N 3Å; M245-F249 HydrophobicContact SD-CD1 4.5Å; M246-F249 HydrophobicContact CB-CE1 4.4Å; M246-F249 WeakPolarHBondContact O-CD1 3.44Å; M246-F249 WeakPolarHBondContact O-CE1 3.48Å; M246-F249 HydrophobicContact SD-CD1 4.24Å; M246-F249 HydrophobicContact SD-CE1 3.7Å; F249-A251 VanDerWaalsContact C-N 3.33Å; F249-A251 PolarHBondContact O-N 2.96Å; F249-M252 CarbonylContact O-C 3.46Å; F249-M252 PolarHBondContact O-N 2.68Å; F249-M252 VanDerWaalsContact O-N 3.12Å; F249-M253 HydrophobicContact CD2-CG 3.9Å; F249-M253 HydrophobicContact CE2-CG 4.27Å; F249-M253 WeakPolarHBondContact O-CG 3.5Å; F249-M253 PolarHBondContact O-N 2.8Å
250	G	81.9	Confident	87.7	Confident	33 Å²	33	52.3 Å²	52.3	34%	0.34	30%	0.301	S	S	.	.	H	α-helix	trans	-60.1	-41.1	-178.9	0	0	0	0	0	112.6	T248 M252 M253	T248-G250 VanDerWaalsContact C-N 3.33Å; T248-G250 PolarHBondContact O-N 2.03Å; G250-M252 VanDerWaalsContact C-N 3.34Å; G250-M252 PolarHBondContact O-N 3.2Å; G250-M253 WeakPolarHBondContact O-CB 3.26Å; G250-M253 PolarHBondContact O-N 2.87Å
251	A	81.1	Confident	88.1	Confident	49 Å²	49	53.2 Å²	53.2	41%	0.405	30%	0.299	S	S	.	.	H	α-helix	trans	-59.9	-45.3	174.4	0	0	0	0	0	111.5	F249 M253 V254 T255 T267	F249-A251 VanDerWaalsContact C-N 3.33Å; F249-A251 PolarHBondContact O-N 2.96Å; A251-M253 PolarHBondContact O-N 3.1Å; A251-V254 PolarHBondContact O-N 3.21Å; A251-T255 PolarHBondContact O-N 3.29Å; A251-T255 PolarHBondContact O-OG1 3.37Å; A251-T267 HydrophobicContact CB-CG2 4.25Å
252	M	88.6	Confident	88.3	Confident	4 Å²	4	61.9 Å²	61.9	2%	0.02	34%	0.337	C	S	.	.	H	α-helix	trans	-78.9	2.9	-179.9	-59.2	-174.5	-74	0	0	114.4	P134 T248 F249 G250 T255 V257 H260 T267 W268 H271	P134-M252 HydrophobicContact CB-CB 4.18Å; P134-M252 HydrophobicContact CB-CE 4.08Å; P134-M252 HydrophobicContact CG-CB 3.63Å; P134-M252 WeakPolarHBondContact CG-O 3.3Å; T248-M252 WeakPolarHBondContact O-CE 3.04Å; F249-M252 CarbonylContact O-C 3.46Å; F249-M252 PolarHBondContact O-N 2.68Å; F249-M252 VanDerWaalsContact O-N 3.12Å; G250-M252 VanDerWaalsContact C-N 3.34Å; G250-M252 PolarHBondContact O-N 3.2Å; M252-T255 CarbonylContact C-O 3.28Å; M252-T255 VanDerWaalsContact C-O 3.28Å; M252-V257 HydrophobicContact SD-CG2 4.34Å; M252-H260 HydrophobicContact CG-CB 4.31Å; M252-H260 HydrophobicContact SD-CB 3.93Å; M252-T267 HydrophobicContact CE-CG2 4.28Å; M252-T267 HydrophobicContact CG-CG2 3.9Å; M252-T267 HydrophobicContact SD-CG2 4.16Å; M252-W268 HydrophobicContact CE-CE3 4.46Å; M252-W268 HydrophobicContact SD-CE3 3.95Å; M252-H271 HydrophobicContact CE-CB 3.52Å
253	M	83.2	Confident	88.8	Confident	74 Å²	74	66.1 Å²	66.1	37%	0.365	36%	0.359	S	S	.	.	H	α-helix	trans	-87.5	-24.4	166.9	-73.6	-67.1	-63.4	0	0	111.6	I132 P134 F249 G250 A251	I132-M253 HydrophobicContact CG2-SD 4.23Å; P134-M253 VanDerWaalsContact CD-SD 3.52Å; P134-M253 HydrophobicContact CG-CG 4.35Å; P134-M253 HydrophobicContact CG-SD 4.14Å; F249-M253 HydrophobicContact CD2-CG 3.9Å; F249-M253 HydrophobicContact CE2-CG 4.27Å; F249-M253 WeakPolarHBondContact O-CG 3.5Å; F249-M253 PolarHBondContact O-N 2.8Å; G250-M253 WeakPolarHBondContact O-CB 3.26Å; G250-M253 PolarHBondContact O-N 2.87Å; A251-M253 PolarHBondContact O-N 3.1Å
254	V	78.8	Confident	89.3	Confident	121 Å²	121	64.4 Å²	64.4	73%	0.733	36%	0.355	S	S	*	.	H	α-helix	trans	-86.9	-46.9	176.8	-179.7	0	0	0	0	110.3	A251	A251-V254 PolarHBondContact O-N 3.21Å
255	T	83	Confident	89.6	Confident	56 Å²	56	63.8 Å²	63.8	34%	0.344	35%	0.352	S	S	.	.	S	Bend	trans	-95.1	139.8	175.6	45.1	0	0	0	0	110.4	A251 M252 V257 H260	A251-T255 PolarHBondContact O-N 3.29Å; A251-T255 PolarHBondContact O-OG1 3.37Å; M252-T255 CarbonylContact C-O 3.28Å; M252-T255 VanDerWaalsContact C-O 3.28Å; T255-V257 PolarHBondContact O-N 2.87Å; T255-H260 WeakPolarHBondContact CB-NE2 3.2Å; T255-H260 PolarHBondContact OG1-CD2 2.97Å; T255-H260 PolarHBondContact OG1-NE2 3.14Å
256	P	88.1	Confident	89.8	Confident	79 Å²	79	70.7 Å²	70.7	51%	0.513	38%	0.382	S	S	.	.			trans	-56.2	125.3	-178.9	-26.3	34.7	0	0	0	112.8	E258 L259 H260	P256-E258 PolarHBondContact O-N 3.46Å; P256-L259 WeakPolarHBondContact O-CB 3.27Å; P256-L259 PolarHBondContact O-N 2.99Å; P256-L259 VanDerWaalsContact O-N 3.1Å; P256-H260 PolarHBondContact O-N 3.49Å
257	V	93	Very high	90.3	Very high	3 Å²	3	70.3 Å²	70.3	2%	0.018	38%	0.382	C	S	.	.	H	α-helix	trans	-60.8	-31	-179.5	64.7	0	0	0	0	112.1	K133 P134 A137 M252 T255 L259 H260 K261 W268	K133-V257 HydrophobicContact CB-CG1 3.89Å; P134-V257 HydrophobicContact CB-CG2 4.28Å; P134-V257 HydrophobicContact CG-CB 4.38Å; P134-V257 HydrophobicContact CG-CG2 4.45Å; A137-V257 HydrophobicContact CB-CG1 4.17Å; A137-V257 HydrophobicContact CB-CG2 3.86Å; M252-V257 HydrophobicContact SD-CG2 4.34Å; T255-V257 PolarHBondContact O-N 2.87Å; V257-L259 PolarHBondContact O-N 2.8Å; V257-H260 WeakPolarHBondContact O-CB 3.45Å; V257-H260 PolarHBondContact O-N 3.15Å; V257-H260 VanDerWaalsContact O-N 3.12Å; V257-K261 WeakPolarHBondContact O-CB 3.43Å; V257-K261 PolarHBondContact O-N 3.21Å; V257-W268 HydrophobicContact CG2-CE3 4.1Å; V257-W268 HydrophobicContact CG2-CZ3 3.69Å
258	E	93.4	Very high	90.8	Very high	106 Å²	106	66.7 Å²	66.7	50%	0.495	36%	0.356	S	S	.	.	H	α-helix	trans	-61.2	-35.2	179.3	-57.9	77.9	-170.2	0	0	111	P256 K262	P256-E258 PolarHBondContact O-N 3.46Å; E258-K262 VanDerWaalsContact O-CB 3.28Å; E258-K262 WeakPolarHBondContact O-CB 3.29Å; E258-K262 PolarHBondContact O-N 2.88Å
259	L	93.6	Very high	91.2	Very high	89 Å²	89	70 Å²	70	47%	0.466	37%	0.371	S	S	.	.	H	α-helix	trans	-68.8	-46.4	174.2	-177.2	63.1	0	0	0	111.1	P256 V257 K261 K262 L263	P256-L259 WeakPolarHBondContact O-CB 3.27Å; P256-L259 PolarHBondContact O-N 2.99Å; P256-L259 VanDerWaalsContact O-N 3.1Å; V257-L259 PolarHBondContact O-N 2.8Å; L259-K261 VanDerWaalsContact C-N 3.3Å; L259-K261 PolarHBondContact O-N 3.22Å; L259-K262 PolarHBondContact O-N 3.01Å; L259-L263 HydrophobicContact CD1-CD1 3.6Å; L259-L263 HydrophobicContact CD1-CG 3.96Å; L259-L263 HydrophobicContact CG-CD1 3.89Å; L259-L263 HydrophobicContact CG-CG 4.47Å; L259-L263 WeakPolarHBondContact O-CB 3.35Å; L259-L263 WeakPolarHBondContact O-CG 3.19Å; L259-L263 PolarHBondContact O-N 3.29Å
260	H	94.9	Very high	91.7	Very high	25 Å²	25	70.4 Å²	70.4	12%	0.116	38%	0.375	C	S	.	.	H	α-helix	trans	-59.2	-41.3	177.1	-82.1	-82.7	0	0	0	112.6	M252 T255 P256 V257 N264 T265 W268	M252-H260 HydrophobicContact CG-CB 4.31Å; M252-H260 HydrophobicContact SD-CB 3.93Å; T255-H260 WeakPolarHBondContact CB-NE2 3.2Å; T255-H260 PolarHBondContact OG1-CD2 2.97Å; T255-H260 PolarHBondContact OG1-NE2 3.14Å; P256-H260 PolarHBondContact O-N 3.49Å; V257-H260 WeakPolarHBondContact O-CB 3.45Å; V257-H260 PolarHBondContact O-N 3.15Å; V257-H260 VanDerWaalsContact O-N 3.12Å; H260-N264 WeakPolarHBondContact O-CA 3.43Å; H260-N264 PolarHBondContact O-N 3.39Å; H260-N264 VanDerWaalsContact O-N 3.09Å; H260-T265 PolarHBondContact ND1-OG1 3.23Å; H260-T265 PolarHBondContact O-N 3.1Å; H260-T265 VanDerWaalsContact O-N 3.09Å; H260-W268 HydrophobicContact CB-CB 4.27Å
261	K	95.5	Very high	92.4	Very high	85 Å²	85	68.8 Å²	68.8	37%	0.37	36%	0.358	S	S	.	.	H	α-helix	trans	-66.6	-48.1	175.8	-179.6	175.3	178.7	177.1	0	111.5	V257 L259 N264 W268	V257-K261 WeakPolarHBondContact O-CB 3.43Å; V257-K261 PolarHBondContact O-N 3.21Å; L259-K261 VanDerWaalsContact C-N 3.3Å; L259-K261 PolarHBondContact O-N 3.22Å; K261-N264 PolarHBondContact O-N 3.42Å; K261-W268 HydrophobicContact CB-CD2 4.22Å; K261-W268 HydrophobicContact CB-CH2 4.38Å; K261-W268 HydrophobicContact CB-CZ2 3.95Å; K261-W268 HydrophobicContact CD-CH2 4.2Å; K261-W268 HydrophobicContact CD-CZ2 3.82Å; K261-W268 HydrophobicContact CG-CH2 4.37Å; K261-W268 HydrophobicContact CG-CZ2 3.66Å
262	K	96.1	Very high	93.2	Very high	184 Å²	184	67 Å²	67	80%	0.8	34%	0.342	S	S	*	.	H	α-helix	trans	-64.3	-40.8	-179.1	-173.9	179.3	-179.5	-178.6	0	112.6	E258 L259 N264	E258-K262 VanDerWaalsContact O-CB 3.28Å; E258-K262 WeakPolarHBondContact O-CB 3.29Å; E258-K262 PolarHBondContact O-N 2.88Å; L259-K262 PolarHBondContact O-N 3.01Å; K262-N264 VanDerWaalsContact C-N 3.28Å
263	L	96.6	Very high	93.7	Very high	113 Å²	113	69.7 Å²	69.7	59%	0.592	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-3.1	178.2	-62	178.6	0	0	0	113.3	L259 T265	L259-L263 HydrophobicContact CD1-CD1 3.6Å; L259-L263 HydrophobicContact CD1-CG 3.96Å; L259-L263 HydrophobicContact CG-CD1 3.89Å; L259-L263 HydrophobicContact CG-CG 4.47Å; L259-L263 WeakPolarHBondContact O-CB 3.35Å; L259-L263 WeakPolarHBondContact O-CG 3.19Å; L259-L263 PolarHBondContact O-N 3.29Å; L263-T265 HydrophobicContact CB-CG2 3.93Å; L263-T265 PolarHBondContact O-N 3.12Å
264	N	96.6	Very high	94.3	Very high	88 Å²	88	66.3 Å²	66.3	47%	0.471	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.9	46.7	-175.4	-168.3	33.1	0	0	0	113.2	H260 K261 K262 Q269	H260-N264 WeakPolarHBondContact O-CA 3.43Å; H260-N264 PolarHBondContact O-N 3.39Å; H260-N264 VanDerWaalsContact O-N 3.09Å; K261-N264 PolarHBondContact O-N 3.42Å; K262-N264 VanDerWaalsContact C-N 3.28Å; N264-Q269 PolarHBondContact ND2-NE2 3.41Å; N264-Q269 PolarHBondContact O-NE2 3.25Å; N264-Q269 WeakPolarHBondContact OD1-CG 3.31Å
265	T	97.3	Very high	95.2	Very high	36 Å²	36	60.6 Å²	60.6	22%	0.221	31%	0.308	C	S	.	.			trans	-59.5	157.5	-175.6	62.4	0	0	0	0	112.4	H260 L263 T267 W268 Q269	H260-T265 PolarHBondContact ND1-OG1 3.23Å; H260-T265 PolarHBondContact O-N 3.1Å; H260-T265 VanDerWaalsContact O-N 3.09Å; L263-T265 HydrophobicContact CB-CG2 3.93Å; L263-T265 PolarHBondContact O-N 3.12Å; T265-T267 VanDerWaalsContact C-N 3.27Å; T265-T267 PolarHBondContact O-N 3.15Å; T265-W268 WeakPolarHBondContact O-CB 3.39Å; T265-W268 PolarHBondContact O-N 3.14Å; T265-W268 PolarHBondContact OG1-N 2.87Å; T265-Q269 PolarHBondContact O-N 2.9Å
266	K	96.5	Very high	95.8	Very high	144 Å²	144	60.3 Å²	60.3	63%	0.626	31%	0.305	S	S	*	.	H	α-helix	trans	-53.5	-43	174.6	-178.2	173.4	173.4	53.8	0	112.5	W268 Q269 D270	K266-W268 VanDerWaalsContact C-N 3.28Å; K266-W268 PolarHBondContact O-N 3.27Å; K266-Q269 PolarHBondContact O-N 3.24Å; K266-D270 WeakPolarHBondContact CE-OD2 3.34Å; K266-D270 WeakPolarHBondContact CG-OD2 3.25Å; K266-D270 IonicContact NZ-OD1 3.88Å; K266-D270 PolarHBondContact NZ-OD1 2.88Å; K266-D270 IonicContact NZ-OD2 2.7Å; K266-D270 PolarHBondContact NZ-OD2 3.4Å; K266-D270 VanDerWaalsContact NZ-OD2 3.16Å; K266-D270 WeakPolarHBondContact O-CB 3.41Å; K266-D270 VanDerWaalsContact O-CG 3.28Å; K266-D270 PolarHBondContact O-N 3.08Å
267	T	95.4	Very high	96.2	Very high	43 Å²	43	62.5 Å²	62.5	26%	0.264	30%	0.303	S	S	.	.	H	α-helix	trans	-57.3	-40.5	176.2	-50.7	0	0	0	0	112.4	T248 A251 M252 T265 H271	T248-T267 HydrophobicContact CG2-CG2 4.25Å; A251-T267 HydrophobicContact CB-CG2 4.25Å; M252-T267 HydrophobicContact CE-CG2 4.28Å; M252-T267 HydrophobicContact CG-CG2 3.9Å; M252-T267 HydrophobicContact SD-CG2 4.16Å; T265-T267 VanDerWaalsContact C-N 3.27Å; T265-T267 PolarHBondContact O-N 3.15Å; T267-H271 WeakPolarHBondContact O-CB 3.33Å; T267-H271 PolarHBondContact O-N 3.27Å
268	W	97.3	Very high	96.2	Very high	9 Å²	9	62.3 Å²	62.3	3%	0.034	30%	0.302	C	S	.	.	H	α-helix	trans	-69.3	-42.2	176.8	176.4	-109.6	0	0	0	112.3	A137 L141 M252 V257 H260 K261 T265 K266 H271 T272	A137-W268 HydrophobicContact CB-CH2 3.85Å; A137-W268 HydrophobicContact CB-CZ3 4.1Å; L141-W268 HydrophobicContact CD2-CZ2 3.82Å; M252-W268 HydrophobicContact CE-CE3 4.46Å; M252-W268 HydrophobicContact SD-CE3 3.95Å; V257-W268 HydrophobicContact CG2-CE3 4.1Å; V257-W268 HydrophobicContact CG2-CZ3 3.69Å; H260-W268 HydrophobicContact CB-CB 4.27Å; K261-W268 HydrophobicContact CB-CD2 4.22Å; K261-W268 HydrophobicContact CB-CH2 4.38Å; K261-W268 HydrophobicContact CB-CZ2 3.95Å; K261-W268 HydrophobicContact CD-CH2 4.2Å; K261-W268 HydrophobicContact CD-CZ2 3.82Å; K261-W268 HydrophobicContact CG-CH2 4.37Å; K261-W268 HydrophobicContact CG-CZ2 3.66Å; T265-W268 WeakPolarHBondContact O-CB 3.39Å; T265-W268 PolarHBondContact O-N 3.14Å; T265-W268 PolarHBondContact OG1-N 2.87Å; K266-W268 VanDerWaalsContact C-N 3.28Å; K266-W268 PolarHBondContact O-N 3.27Å; W268-H271 PolarHBondContact O-N 3.03Å; W268-T272 HydrophobicContact CD2-CG2 3.88Å; W268-T272 HydrophobicContact CE3-CG2 4.25Å; W268-T272 HydrophobicContact CG-CG2 4.42Å; W268-T272 HydrophobicContact CH2-CG2 4.12Å; W268-T272 HydrophobicContact CZ2-CG2 3.75Å; W268-T272 HydrophobicContact CZ3-CG2 4.34Å; W268-T272 WeakPolarHBondContact O-CB 3.28Å; W268-T272 VanDerWaalsContact O-CG2 3.27Å; W268-T272 WeakPolarHBondContact O-CG2 3.48Å; W268-T272 PolarHBondContact O-N 2.69Å; W268-T272 PolarHBondContact O-OG1 2.84Å
269	Q	97.8	Very high	96.3	Very high	82 Å²	82	57.4 Å²	57.4	38%	0.383	28%	0.279	S	S	.	.	H	α-helix	trans	-63.4	-46.6	176.8	-64.6	176	21.2	0	0	111.4	N264 T265 K266 H271 T272 T273	N264-Q269 PolarHBondContact ND2-NE2 3.41Å; N264-Q269 PolarHBondContact O-NE2 3.25Å; N264-Q269 WeakPolarHBondContact OD1-CG 3.31Å; T265-Q269 PolarHBondContact O-N 2.9Å; K266-Q269 PolarHBondContact O-N 3.24Å; Q269-H271 VanDerWaalsContact C-N 3.34Å; Q269-H271 PolarHBondContact O-N 3.47Å; Q269-T272 WeakPolarHBondContact CA-OG1 3.46Å; Q269-T272 PolarHBondContact O-N 2.77Å; Q269-T272 PolarHBondContact O-OG1 3.34Å; Q269-T273 VanDerWaalsContact O-CB 3.31Å; Q269-T273 WeakPolarHBondContact O-CB 3.4Å; Q269-T273 PolarHBondContact O-N 3.32Å; Q269-T273 PolarHBondContact O-OG1 3.03Å
270	D	97.3	Very high	96.4	Very high	55 Å²	55	56 Å²	56	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-64.7	-40.3	178.9	-66.9	-16.4	0	0	0	110.2	T244 T248 K266 A274	T244-D270 HydrophobicContact CG2-CB 4.24Å; T248-D270 HydrophobicContact CG2-CB 4.11Å; K266-D270 WeakPolarHBondContact CE-OD2 3.34Å; K266-D270 WeakPolarHBondContact CG-OD2 3.25Å; K266-D270 IonicContact NZ-OD1 3.88Å; K266-D270 PolarHBondContact NZ-OD1 2.88Å; K266-D270 IonicContact NZ-OD2 2.7Å; K266-D270 PolarHBondContact NZ-OD2 3.4Å; K266-D270 VanDerWaalsContact NZ-OD2 3.16Å; K266-D270 WeakPolarHBondContact O-CB 3.41Å; K266-D270 VanDerWaalsContact O-CG 3.28Å; K266-D270 PolarHBondContact O-N 3.08Å; D270-A274 VanDerWaalsContact O-CB 3.22Å; D270-A274 WeakPolarHBondContact O-CB 3.14Å; D270-A274 PolarHBondContact O-N 3.47Å
271	H	96.8	Very high	96.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-48.7	176.2	-170.7	71.9	0	0	0	113	W135 T248 M252 T267 W268 Q269 A274 W275	W135-H271 AromaticContact CD1-CE1 3.91Å; W135-H271 AromaticContact CD1-NE2 3.93Å; T248-H271 WeakPolarHBondContact OG1-CB 3.22Å; T248-H271 PolarHBondContact OG1-ND1 3.27Å; M252-H271 HydrophobicContact CE-CB 3.52Å; T267-H271 WeakPolarHBondContact O-CB 3.33Å; T267-H271 PolarHBondContact O-N 3.27Å; W268-H271 PolarHBondContact O-N 3.03Å; Q269-H271 VanDerWaalsContact C-N 3.34Å; Q269-H271 PolarHBondContact O-N 3.47Å; H271-A274 PolarHBondContact O-N 3.25Å; H271-W275 AromaticContact CD2-CD1 3.6Å; H271-W275 AromaticContact CD2-NE1 3.78Å; H271-W275 AromaticContact CE1-CD1 3.6Å; H271-W275 AromaticContact CE1-NE1 3.11Å; H271-W275 PolarHBondContact CE1-NE1 2.97Å; H271-W275 AromaticContact ND1-NE1 3.96Å; H271-W275 AromaticContact NE2-CD1 3.29Å; H271-W275 VanDerWaalsContact NE2-CD1 3.29Å; H271-W275 AromaticContact NE2-NE1 2.96Å; H271-W275 PolarHBondContact NE2-NE1 3.27Å; H271-W275 PolarHBondContact O-N 3.11Å
272	T	97.8	Very high	96	Very high	10 Å²	10	51.8 Å²	51.8	6%	0.061	26%	0.26	C	S	.	.	H	α-helix	trans	-65.7	-44.1	-179.9	49.8	0	0	0	0	111.3	Y138 L141 W268 Q269 A274 W275 D276	Y138-T272 HydrophobicContact CD2-CG2 4.08Å; L141-T272 HydrophobicContact CD2-CG2 4.03Å; W268-T272 HydrophobicContact CD2-CG2 3.88Å; W268-T272 HydrophobicContact CE3-CG2 4.25Å; W268-T272 HydrophobicContact CG-CG2 4.42Å; W268-T272 HydrophobicContact CH2-CG2 4.12Å; W268-T272 HydrophobicContact CZ2-CG2 3.75Å; W268-T272 HydrophobicContact CZ3-CG2 4.34Å; W268-T272 WeakPolarHBondContact O-CB 3.28Å; W268-T272 VanDerWaalsContact O-CG2 3.27Å; W268-T272 WeakPolarHBondContact O-CG2 3.48Å; W268-T272 PolarHBondContact O-N 2.69Å; W268-T272 PolarHBondContact O-OG1 2.84Å; Q269-T272 WeakPolarHBondContact CA-OG1 3.46Å; Q269-T272 PolarHBondContact O-N 2.77Å; Q269-T272 PolarHBondContact O-OG1 3.34Å; T272-A274 VanDerWaalsContact C-N 3.33Å; T272-A274 PolarHBondContact O-N 3.42Å; T272-W275 PolarHBondContact O-N 3.04Å; T272-D276 VanDerWaalsContact O-CG 3.24Å; T272-D276 PolarHBondContact O-N 2.79Å
273	T	97.8	Very high	96	Very high	62 Å²	62	45.7 Å²	45.7	38%	0.38	23%	0.233	S	C	.	.	H	α-helix	trans	-59.9	-42.1	174.5	-55.6	0	0	0	0	112.2	Q269 D276 R277	Q269-T273 VanDerWaalsContact O-CB 3.31Å; Q269-T273 WeakPolarHBondContact O-CB 3.4Å; Q269-T273 PolarHBondContact O-N 3.32Å; Q269-T273 PolarHBondContact O-OG1 3.03Å; T273-D276 PolarHBondContact O-N 3.33Å; T273-R277 WeakPolarHBondContact O-CG 3.41Å; T273-R277 PolarHBondContact O-N 3.27Å
274	A	96.6	Very high	95.8	Very high	3 Å²	3	43.5 Å²	43.5	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-47.5	178.1	0	0	0	0	0	111.4	S241 T244 M245 D270 H271 T272 R277 I278	S241-A274 WeakPolarHBondContact O-CB 3.45Å; T244-A274 HydrophobicContact CG2-CB 4.13Å; M245-A274 HydrophobicContact CB-CB 3.98Å; D270-A274 VanDerWaalsContact O-CB 3.22Å; D270-A274 WeakPolarHBondContact O-CB 3.14Å; D270-A274 PolarHBondContact O-N 3.47Å; H271-A274 PolarHBondContact O-N 3.25Å; T272-A274 VanDerWaalsContact C-N 3.33Å; T272-A274 PolarHBondContact O-N 3.42Å; A274-R277 PolarHBondContact O-N 3.01Å; A274-I278 VanDerWaalsContact O-CG1 3.32Å; A274-I278 WeakPolarHBondContact O-CG1 3.41Å; A274-I278 PolarHBondContact O-N 2.9Å; A274-I278 VanDerWaalsContact O-N 3.09Å
275	W	97.1	Very high	95.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.3	-39.4	176	-83	119.3	0	0	0	113.6	W135 Y138 M245 H271 T272 R277 I278 F279 T323 I327	W135-W275 HydrophobicContact CB-CZ2 4.43Å; W135-W275 AromaticContact CD1-CZ2 3.77Å; W135-W275 AromaticContact CD1-NE1 3.96Å; W135-W275 HydrophobicContact CD2-CH2 4.28Å; W135-W275 AromaticContact CD2-CZ2 3.67Å; W135-W275 HydrophobicContact CD2-CZ2 3.67Å; W135-W275 AromaticContact CE2-CZ2 3.72Å; W135-W275 HydrophobicContact CE3-CH2 4.41Å; W135-W275 HydrophobicContact CE3-CZ2 4.24Å; W135-W275 AromaticContact CG-CZ2 3.74Å; W135-W275 HydrophobicContact CG-CZ2 3.74Å; W135-W275 HydrophobicContact CZ2-CZ2 4.31Å; W135-W275 AromaticContact NE1-CZ2 3.78Å; Y138-W275 HydrophobicContact CD1-CB 3.74Å; Y138-W275 HydrophobicContact CD1-CD2 4.2Å; Y138-W275 AromaticContact CD1-CG 3.75Å; Y138-W275 HydrophobicContact CD1-CG 3.75Å; Y138-W275 HydrophobicContact CD2-CB 3.64Å; Y138-W275 HydrophobicContact CD2-CG 4.1Å; Y138-W275 HydrophobicContact CE1-CB 3.46Å; Y138-W275 VanDerWaalsContact CE1-CB 3.46Å; Y138-W275 HydrophobicContact CE1-CD2 4.38Å; Y138-W275 AromaticContact CE1-CG 3.92Å; Y138-W275 HydrophobicContact CE1-CG 3.92Å; Y138-W275 HydrophobicContact CE2-CB 3.32Å; Y138-W275 HydrophobicContact CE2-CG 4.23Å; Y138-W275 HydrophobicContact CG-CB 3.84Å; Y138-W275 AromaticContact CG-CD1 3.76Å; Y138-W275 AromaticContact CG-CG 3.87Å; Y138-W275 HydrophobicContact CG-CG 3.87Å; M245-W275 HydrophobicContact CE-CH2 4.05Å; M245-W275 HydrophobicContact CE-CZ2 4Å; M245-W275 HydrophobicContact CG-CD2 3.78Å; M245-W275 HydrophobicContact CG-CE3 4.47Å; M245-W275 HydrophobicContact CG-CG 4.1Å; M245-W275 HydrophobicContact CG-CH2 4.35Å; M245-W275 HydrophobicContact CG-CZ2 3.62Å; M245-W275 HydrophobicContact SD-CH2 4.1Å; M245-W275 HydrophobicContact SD-CZ2 3.43Å; M245-W275 WeakPolarHBondContact SD-CZ2 3.34Å; H271-W275 AromaticContact CD2-CD1 3.6Å; H271-W275 AromaticContact CD2-NE1 3.78Å; H271-W275 AromaticContact CE1-CD1 3.6Å; H271-W275 AromaticContact CE1-NE1 3.11Å; H271-W275 PolarHBondContact CE1-NE1 2.97Å; H271-W275 AromaticContact ND1-NE1 3.96Å; H271-W275 AromaticContact NE2-CD1 3.29Å; H271-W275 VanDerWaalsContact NE2-CD1 3.29Å; H271-W275 AromaticContact NE2-NE1 2.96Å; H271-W275 PolarHBondContact NE2-NE1 3.27Å; H271-W275 PolarHBondContact O-N 3.11Å; T272-W275 PolarHBondContact O-N 3.04Å; W275-R277 VanDerWaalsContact C-N 3.25Å; W275-R277 PolarHBondContact O-N 2.68Å; W275-I278 HydrophobicContact CE3-CB 4.3Å; W275-I278 HydrophobicContact CE3-CD1 4.11Å; W275-I278 HydrophobicContact CE3-CG2 4.2Å; W275-I278 HydrophobicContact CZ3-CD1 4.48Å; W275-I278 HydrophobicContact CZ3-CG2 4.26Å; W275-I278 PolarHBondContact O-N 3.4Å; W275-I278 VanDerWaalsContact O-N 3.08Å; W275-F279 AromaticContact CE3-CD2 3.88Å; W275-F279 HydrophobicContact CE3-CD2 3.88Å; W275-F279 AromaticContact CE3-CE2 3.61Å; W275-F279 HydrophobicContact CE3-CE2 3.61Å; W275-F279 HydrophobicContact CZ3-CD2 4.5Å; W275-F279 AromaticContact CZ3-CE2 3.9Å; W275-F279 HydrophobicContact CZ3-CE2 3.9Å; W275-F279 PolarHBondContact O-N 3.42Å; W275-T323 HydrophobicContact CZ3-CG2 4.05Å; W275-I327 HydrophobicContact CH2-CD1 3.36Å; W275-I327 HydrophobicContact CZ3-CD1 3.37Å
276	D	97.2	Very high	95.3	Very high	51 Å²	51	38.2 Å²	38.2	27%	0.273	19%	0.194	S	C	.	.	H	α-helix	trans	-57.4	-41.7	177.6	-73.9	-20.7	0	0	0	111	Y138 R142 T272 T273 S280	Y138-D276 VanDerWaalsContact CE2-OD1 3.25Å; Y138-D276 WeakPolarHBondContact CE2-OD1 3.33Å; Y138-D276 WeakPolarHBondContact OH-CA 3.48Å; Y138-D276 PolarHBondContact OH-N 3.49Å; Y138-D276 PolarHBondContact OH-OD1 3.28Å; R142-D276 IonicContact CZ-OD1 3.22Å; R142-D276 IonicContact CZ-OD2 3.96Å; R142-D276 IonicContact NE-OD1 3.91Å; R142-D276 PolarHBondContact NE-OD1 2.9Å; R142-D276 IonicContact NE-OD2 3.45Å; R142-D276 PolarHBondContact NE-OD2 3.32Å; R142-D276 IonicContact NH2-OD1 2.96Å; R142-D276 IonicContact NH2-OD2 3.18Å; R142-D276 PolarHBondContact NH2-OD2 3.14Å; T272-D276 VanDerWaalsContact O-CG 3.24Å; T272-D276 PolarHBondContact O-N 2.79Å; T273-D276 PolarHBondContact O-N 3.33Å; D276-S280 VanDerWaalsContact O-CB 3.27Å; D276-S280 WeakPolarHBondContact O-CB 3.42Å; D276-S280 PolarHBondContact O-N 3.43Å; D276-S280 PolarHBondContact O-OG 3.23Å
277	R	94.9	Very high	95.2	Very high	124 Å²	124	33.2 Å²	33.2	47%	0.468	17%	0.174	S	C	.	.	H	α-helix	trans	-68.4	-38.3	174.9	-69.6	174.6	179.8	174.1	1.3	113.2	S241 T273 A274 W275 S280 T281	S241-R277 VanDerWaalsContact OG-CB 3.3Å; S241-R277 WeakPolarHBondContact OG-CB 3.26Å; S241-R277 WeakPolarHBondContact OG-CD 3.43Å; T273-R277 WeakPolarHBondContact O-CG 3.41Å; T273-R277 PolarHBondContact O-N 3.27Å; A274-R277 PolarHBondContact O-N 3.01Å; W275-R277 VanDerWaalsContact C-N 3.25Å; W275-R277 PolarHBondContact O-N 2.68Å; R277-S280 WeakPolarHBondContact CA-OG 3.4Å; R277-S280 PolarHBondContact O-OG 3.16Å; R277-T281 WeakPolarHBondContact O-CB 3.27Å; R277-T281 PolarHBondContact O-N 3.42Å; R277-T281 PolarHBondContact O-OG1 3.47Å
278	I	94.1	Very high	95	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.7	-51	177.6	-69.9	164.9	0	0	0	109.7	F238 I242 M245 A274 W275 T281 A282 T323 I327	F238-I278 HydrophobicContact CE2-CB 4.27Å; F238-I278 HydrophobicContact CE2-CG1 4.34Å; F238-I278 HydrophobicContact CE2-CG2 4.12Å; F238-I278 HydrophobicContact CZ-CG2 4.3Å; I242-I278 HydrophobicContact CG1-CD1 3.93Å; I242-I278 HydrophobicContact CG1-CG1 4.09Å; M245-I278 HydrophobicContact CB-CD1 3.92Å; M245-I278 HydrophobicContact CE-CD1 4.46Å; M245-I278 HydrophobicContact CG-CD1 4.19Å; A274-I278 VanDerWaalsContact O-CG1 3.32Å; A274-I278 WeakPolarHBondContact O-CG1 3.41Å; A274-I278 PolarHBondContact O-N 2.9Å; A274-I278 VanDerWaalsContact O-N 3.09Å; W275-I278 HydrophobicContact CE3-CB 4.3Å; W275-I278 HydrophobicContact CE3-CD1 4.11Å; W275-I278 HydrophobicContact CE3-CG2 4.2Å; W275-I278 HydrophobicContact CZ3-CD1 4.48Å; W275-I278 HydrophobicContact CZ3-CG2 4.26Å; W275-I278 PolarHBondContact O-N 3.4Å; W275-I278 VanDerWaalsContact O-N 3.08Å; I278-T281 PolarHBondContact O-N 2.89Å; I278-A282 WeakPolarHBondContact O-CB 3.4Å; I278-A282 PolarHBondContact O-N 3.3Å; I278-T323 HydrophobicContact CG2-CG2 3.38Å; I278-I327 HydrophobicContact CG2-CD1 4.44Å
279	F	95.6	Very high	94.6	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.009	18%	0.181	C	C	.	.	H	α-helix	trans	-66.1	-41.6	-179.7	-91	-86	0	0	0	112.4	Y138 R139 E144 W275 T281 A282 K283 A320 T323	Y138-F279 AromaticContact CE1-CD2 3.75Å; Y138-F279 HydrophobicContact CE1-CD2 3.75Å; Y138-F279 AromaticContact CE1-CE2 3.79Å; Y138-F279 HydrophobicContact CE1-CE2 3.79Å; R139-F279 VanDerWaalsContact CZ-CZ 3.45Å; R139-F279 VanDerWaalsContact NE-CE2 3.33Å; R139-F279 VanDerWaalsContact NE-CZ 3.31Å; E144-F279 HydrophobicContact CB-CE1 4.35Å; E144-F279 HydrophobicContact CB-CZ 4.48Å; E144-F279 HydrophobicContact CG-CD1 4.35Å; E144-F279 HydrophobicContact CG-CE1 4.37Å; W275-F279 AromaticContact CE3-CD2 3.88Å; W275-F279 HydrophobicContact CE3-CD2 3.88Å; W275-F279 AromaticContact CE3-CE2 3.61Å; W275-F279 HydrophobicContact CE3-CE2 3.61Å; W275-F279 HydrophobicContact CZ3-CD2 4.5Å; W275-F279 AromaticContact CZ3-CE2 3.9Å; W275-F279 HydrophobicContact CZ3-CE2 3.9Å; W275-F279 PolarHBondContact O-N 3.42Å; F279-T281 VanDerWaalsContact C-N 3.31Å; F279-T281 PolarHBondContact O-N 2.94Å; F279-A282 PolarHBondContact O-N 3.16Å; F279-K283 VanDerWaalsContact O-CB 3.28Å; F279-K283 WeakPolarHBondContact O-CB 3.21Å; F279-K283 WeakPolarHBondContact O-CG 3.02Å; F279-K283 PolarHBondContact O-N 3.44Å; F279-A320 HydrophobicContact CE1-CB 4.49Å; F279-T323 HydrophobicContact CE2-CG2 4.38Å; F279-T323 HydrophobicContact CZ-CG2 4.45Å
280	S	94.6	Very high	94.1	Very high	61 Å²	61	32.5 Å²	32.5	43%	0.427	17%	0.167	S	C	.	.	H	α-helix	trans	-59.1	-45.1	178.2	68.2	0	0	0	0	111.5	D276 R277 V284	D276-S280 VanDerWaalsContact O-CB 3.27Å; D276-S280 WeakPolarHBondContact O-CB 3.42Å; D276-S280 PolarHBondContact O-N 3.43Å; D276-S280 PolarHBondContact O-OG 3.23Å; R277-S280 WeakPolarHBondContact CA-OG 3.4Å; R277-S280 PolarHBondContact O-OG 3.16Å; S280-V284 WeakPolarHBondContact O-CG2 2.85Å; S280-V284 PolarHBondContact O-N 3.14Å
281	T	90.8	Very high	93.7	Very high	21 Å²	21	37.1 Å²	37.1	13%	0.129	18%	0.184	C	C	.	.	H	α-helix	trans	-64.3	-50.9	177.4	-52.6	0	0	0	0	110.9	F238 R277 I278 F279 K283 V284 Y285	F238-T281 VanDerWaalsContact CD2-CB 3.49Å; F238-T281 HydrophobicContact CD2-CG2 3.54Å; F238-T281 HydrophobicContact CE2-CG2 3.94Å; F238-T281 HydrophobicContact CG-CG2 4.24Å; R277-T281 WeakPolarHBondContact O-CB 3.27Å; R277-T281 PolarHBondContact O-N 3.42Å; R277-T281 PolarHBondContact O-OG1 3.47Å; I278-T281 PolarHBondContact O-N 2.89Å; F279-T281 VanDerWaalsContact C-N 3.31Å; F279-T281 PolarHBondContact O-N 2.94Å; T281-K283 VanDerWaalsContact C-N 3.34Å; T281-K283 PolarHBondContact O-N 3.35Å; T281-V284 PolarHBondContact O-N 3.3Å; T281-Y285 HydrophobicContact CG2-CD2 3.82Å; T281-Y285 HydrophobicContact CG2-CE2 3.67Å; T281-Y285 WeakPolarHBondContact O-CD2 3.44Å; T281-Y285 PolarHBondContact O-N 3.23Å
282	A	92.1	Very high	93.1	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.4	-44.8	-179.6	0	0	0	0	0	111.9	I278 F279 V284 Y285 I286 T323	I278-A282 WeakPolarHBondContact O-CB 3.4Å; I278-A282 PolarHBondContact O-N 3.3Å; F279-A282 PolarHBondContact O-N 3.16Å; A282-V284 PolarHBondContact O-N 2.95Å; A282-Y285 PolarHBondContact O-N 3.22Å; A282-I286 HydrophobicContact CB-CD1 4.33Å; A282-I286 WeakPolarHBondContact O-CB 3.37Å; A282-I286 WeakPolarHBondContact O-CD1 3.33Å; A282-I286 WeakPolarHBondContact O-CG1 3.34Å; A282-I286 PolarHBondContact O-N 2.91Å; A282-T323 VanDerWaalsContact CB-OG1 3.28Å; A282-T323 WeakPolarHBondContact CB-OG1 3.29Å
283	K	94.9	Very high	92.1	Very high	56 Å²	56	46.7 Å²	46.7	24%	0.243	22%	0.221	C	C	.	.	H	α-helix	trans	-57.3	-49	177.5	-76.2	172.9	-179.9	-175.7	0	112.2	E144 F279 T281 Y285 I286 D287 Y319	E144-K283 VanDerWaalsContact CD-NZ 3.3Å; E144-K283 WeakPolarHBondContact OE1-CE 3.28Å; E144-K283 IonicContact OE1-NZ 2.87Å; E144-K283 PolarHBondContact OE1-NZ 3.12Å; E144-K283 WeakPolarHBondContact OE2-CE 3.45Å; E144-K283 IonicContact OE2-NZ 2.81Å; E144-K283 PolarHBondContact OE2-NZ 3.43Å; F279-K283 VanDerWaalsContact O-CB 3.28Å; F279-K283 WeakPolarHBondContact O-CB 3.21Å; F279-K283 WeakPolarHBondContact O-CG 3.02Å; F279-K283 PolarHBondContact O-N 3.44Å; T281-K283 VanDerWaalsContact C-N 3.34Å; T281-K283 PolarHBondContact O-N 3.35Å; K283-Y285 VanDerWaalsContact C-N 3.31Å; K283-Y285 PolarHBondContact O-N 3.27Å; K283-I286 PolarHBondContact O-N 2.98Å; K283-D287 WeakPolarHBondContact O-CB 3.29Å; K283-D287 PolarHBondContact O-N 3.11Å; K283-Y319 HydrophobicContact CB-CD1 4.48Å; K283-Y319 HydrophobicContact CB-CE1 4.36Å; K283-Y319 HydrophobicContact CD-CD2 4.15Å; K283-Y319 HydrophobicContact CD-CE2 4.29Å; K283-Y319 HydrophobicContact CG-CD1 3.93Å; K283-Y319 HydrophobicContact CG-CD2 3.61Å; K283-Y319 HydrophobicContact CG-CE1 4.12Å; K283-Y319 HydrophobicContact CG-CE2 3.82Å; K283-Y319 HydrophobicContact CG-CG 3.67Å
284	V	93.6	Very high	90.9	Very high	66 Å²	66	47.7 Å²	47.7	40%	0.4	24%	0.235	S	C	.	.	H	α-helix	trans	-56.7	-46.3	179.5	167.9	0	0	0	0	111	S280 T281 A282 K288	S280-V284 WeakPolarHBondContact O-CG2 2.85Å; S280-V284 PolarHBondContact O-N 3.14Å; T281-V284 PolarHBondContact O-N 3.3Å; A282-V284 PolarHBondContact O-N 2.95Å; V284-K288 HydrophobicContact CG1-CD 4.03Å; V284-K288 WeakPolarHBondContact O-CB 3.45Å; V284-K288 VanDerWaalsContact O-CG 3.25Å; V284-K288 WeakPolarHBondContact O-CG 3.36Å; V284-K288 PolarHBondContact O-N 3.44Å
285	Y	91.4	Very high	89.4	Confident	13 Å²	13	50.7 Å²	50.7	5%	0.051	27%	0.267	C	S	.	.	H	α-helix	trans	-74.6	-39	-177	-75	-64.6	0	0	0	113.4	K222 F224 E234 T281 A282 K283 K288 K289	K222-Y285 HydrophobicContact CB-CD1 4.25Å; K222-Y285 HydrophobicContact CB-CE1 4.31Å; K222-Y285 HydrophobicContact CD-CE1 4.12Å; K222-Y285 HydrophobicContact CG-CD1 4.13Å; K222-Y285 HydrophobicContact CG-CE1 3.69Å; F224-Y285 AromaticContact CE1-CE2 3.83Å; F224-Y285 HydrophobicContact CE1-CE2 3.83Å; F224-Y285 AromaticContact CZ-CD2 3.92Å; F224-Y285 HydrophobicContact CZ-CD2 3.92Å; F224-Y285 AromaticContact CZ-CE2 3.57Å; F224-Y285 HydrophobicContact CZ-CE2 3.57Å; F224-Y285 AromaticContact CZ-CZ 3.94Å; E234-Y285 VanDerWaalsContact OE1-CE2 3.27Å; E234-Y285 WeakPolarHBondContact OE1-CE2 3.07Å; E234-Y285 VanDerWaalsContact OE1-CZ 3.28Å; E234-Y285 PolarHBondContact OE1-OH 3.02Å; E234-Y285 PolarHBondContact OE2-OH 2.76Å; E234-Y285 VanDerWaalsContact OE2-OH 3.06Å; T281-Y285 HydrophobicContact CG2-CD2 3.82Å; T281-Y285 HydrophobicContact CG2-CE2 3.67Å; T281-Y285 WeakPolarHBondContact O-CD2 3.44Å; T281-Y285 PolarHBondContact O-N 3.23Å; A282-Y285 PolarHBondContact O-N 3.22Å; K283-Y285 VanDerWaalsContact C-N 3.31Å; K283-Y285 PolarHBondContact O-N 3.27Å; Y285-K288 PolarHBondContact O-N 3.24Å; Y285-K289 VanDerWaalsContact O-CB 3.29Å; Y285-K289 WeakPolarHBondContact O-CB 3.29Å; Y285-K289 PolarHBondContact O-N 3.22Å
286	I	92.6	Very high	87.9	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.2	-45.1	175.2	-67.7	164.3	0	0	0	110	Y220 A282 K283 K289 I290 L304 Y319 I322	Y220-I286 HydrophobicContact CD1-CG1 4.11Å; Y220-I286 HydrophobicContact CE1-CD1 4.18Å; Y220-I286 HydrophobicContact CE1-CG1 3.81Å; A282-I286 HydrophobicContact CB-CD1 4.33Å; A282-I286 WeakPolarHBondContact O-CB 3.37Å; A282-I286 WeakPolarHBondContact O-CD1 3.33Å; A282-I286 WeakPolarHBondContact O-CG1 3.34Å; A282-I286 PolarHBondContact O-N 2.91Å; K283-I286 PolarHBondContact O-N 2.98Å; I286-K289 PolarHBondContact O-N 2.89Å; I286-I290 HydrophobicContact CG2-CD1 3.77Å; I286-I290 HydrophobicContact CG2-CG1 4.41Å; I286-I290 WeakPolarHBondContact O-CG1 3.36Å; I286-I290 PolarHBondContact O-N 3.49Å; I286-L304 HydrophobicContact CG1-CD1 4.39Å; I286-L304 HydrophobicContact CG2-CD1 4.49Å; I286-L304 HydrophobicContact CG2-CD2 4.47Å; I286-Y319 HydrophobicContact CB-CD1 4.01Å; I286-Y319 HydrophobicContact CB-CE1 3.99Å; I286-Y319 HydrophobicContact CD1-CD1 3.78Å; I286-Y319 HydrophobicContact CG2-CD1 3.83Å; I286-Y319 HydrophobicContact CG2-CE1 3.72Å; I286-I322 HydrophobicContact CD1-CB 3.74Å; I286-I322 HydrophobicContact CD1-CG1 4.25Å; I286-I322 HydrophobicContact CD1-CG2 3.76Å; I286-I322 HydrophobicContact CG1-CB 4.49Å; I286-I322 HydrophobicContact CG1-CG2 4.14Å
287	D	93.2	Very high	85.8	Confident	39 Å²	39	58.1 Å²	58.1	21%	0.209	32%	0.319	C	S	.	.	H	α-helix	trans	-65.3	-43.3	178.2	-81.6	-14.2	0	0	0	112.4	K283 K289 I290 K291 K315 Y319	K283-D287 WeakPolarHBondContact O-CB 3.29Å; K283-D287 PolarHBondContact O-N 3.11Å; D287-K289 VanDerWaalsContact C-N 3.27Å; D287-K289 PolarHBondContact O-N 3.41Å; D287-I290 PolarHBondContact O-N 2.69Å; D287-K291 WeakPolarHBondContact O-CB 3.4Å; D287-K291 VanDerWaalsContact O-CG 3.25Å; D287-K291 WeakPolarHBondContact O-CG 3.27Å; D287-K291 PolarHBondContact O-N 3.5Å; D287-K315 IonicContact OD1-NZ 2.96Å; D287-Y319 PolarHBondContact OD1-OH 3.22Å; D287-Y319 PolarHBondContact OD2-OH 3.15Å
288	K	91.1	Very high	84	Confident	102 Å²	102	54.1 Å²	54.1	44%	0.443	32%	0.317	S	S	.	.	H	α-helix	trans	-57.3	-43.8	174.1	-79.5	173.5	179.8	172.8	0	110.8	V284 Y285 K291 R292	V284-K288 HydrophobicContact CG1-CD 4.03Å; V284-K288 WeakPolarHBondContact O-CB 3.45Å; V284-K288 VanDerWaalsContact O-CG 3.25Å; V284-K288 WeakPolarHBondContact O-CG 3.36Å; V284-K288 PolarHBondContact O-N 3.44Å; Y285-K288 PolarHBondContact O-N 3.24Å; K288-K291 PolarHBondContact O-N 3.21Å; K288-R292 VanDerWaalsContact O-CG 3.3Å; K288-R292 WeakPolarHBondContact O-CG 3.22Å; K288-R292 PolarHBondContact O-N 2.95Å
289	K	88.7	Confident	82.2	Confident	2 Å²	2	60 Å²	60	1%	0.009	36%	0.355	C	S	.	.	H	α-helix	trans	-66	-46.5	179.9	-176.8	166	177.6	170.8	0	112.5	V218 L219 D221 Y285 I286 D287 K291 R292 H293 D302 L304	V218-K289 PolarHBondContact O-NZ 2.83Å; L219-K289 WeakPolarHBondContact O-CD 3.07Å; L219-K289 PolarHBondContact O-NZ 3.25Å; D221-K289 HydrophobicContact CB-CD 4.29Å; Y285-K289 VanDerWaalsContact O-CB 3.29Å; Y285-K289 WeakPolarHBondContact O-CB 3.29Å; Y285-K289 PolarHBondContact O-N 3.22Å; I286-K289 PolarHBondContact O-N 2.89Å; D287-K289 VanDerWaalsContact C-N 3.27Å; D287-K289 PolarHBondContact O-N 3.41Å; K289-K291 PolarHBondContact O-N 3.4Å; K289-R292 PolarHBondContact O-N 2.92Å; K289-H293 PolarHBondContact O-N 3.1Å; K289-H293 PolarHBondContact O-ND1 2.91Å; K289-D302 WeakPolarHBondContact CE-OD1 3.36Å; K289-D302 WeakPolarHBondContact CE-OD2 3.45Å; K289-D302 IonicContact NZ-OD1 3.7Å; K289-D302 PolarHBondContact NZ-OD1 3.47Å; K289-D302 IonicContact NZ-OD2 2.71Å; K289-D302 PolarHBondContact NZ-OD2 3.22Å; K289-L304 HydrophobicContact CD-CD1 4.44Å; K289-L304 HydrophobicContact CD-CD2 4.42Å; K289-L304 HydrophobicContact CG-CD2 4.46Å
290	I	88.3	Confident	80.5	Confident	16 Å²	16	60.7 Å²	60.7	8%	0.082	36%	0.36	C	S	.	.	H	α-helix	trans	-60.6	-45.7	175.5	-68.9	170.4	0	0	0	110.6	I286 D287 H293 A294 L304 Y308 L318	I286-I290 HydrophobicContact CG2-CD1 3.77Å; I286-I290 HydrophobicContact CG2-CG1 4.41Å; I286-I290 WeakPolarHBondContact O-CG1 3.36Å; I286-I290 PolarHBondContact O-N 3.49Å; D287-I290 PolarHBondContact O-N 2.69Å; I290-H293 CarbonylContact O-C 3.52Å; I290-H293 PolarHBondContact O-N 2.92Å; I290-A294 PolarHBondContact O-N 3.01Å; I290-A294 VanDerWaalsContact O-N 3.13Å; I290-L304 HydrophobicContact CD1-CD2 4.33Å; I290-L304 HydrophobicContact CG1-CD2 3.78Å; I290-Y308 HydrophobicContact CD1-CD1 4.28Å; I290-Y308 HydrophobicContact CD1-CD2 4.17Å; I290-Y308 HydrophobicContact CD1-CE2 4.37Å; I290-Y308 HydrophobicContact CD1-CG 4.08Å; I290-Y308 HydrophobicContact CG1-CD1 4.31Å; I290-Y308 HydrophobicContact CG1-CG 4.41Å; I290-Y308 HydrophobicContact CG2-CD1 3.66Å; I290-Y308 HydrophobicContact CG2-CE1 3.48Å; I290-Y308 VanDerWaalsContact CG2-CE1 3.48Å; I290-Y308 HydrophobicContact CG2-CG 4.49Å; I290-L318 HydrophobicContact CD1-CD1 4.44Å
291	K	88.3	Confident	79.1	Confident	152 Å²	152	64.6 Å²	64.6	66%	0.661	38%	0.376	S	S	*	.	H	α-helix	trans	-62	-44.3	179.8	-75.6	175.7	-178.6	179.7	0	112.7	D287 K288 K289 H293 A294	D287-K291 WeakPolarHBondContact O-CB 3.4Å; D287-K291 VanDerWaalsContact O-CG 3.25Å; D287-K291 WeakPolarHBondContact O-CG 3.27Å; D287-K291 PolarHBondContact O-N 3.5Å; K288-K291 PolarHBondContact O-N 3.21Å; K289-K291 PolarHBondContact O-N 3.4Å; K291-H293 PolarHBondContact O-N 3.12Å; K291-A294 VanDerWaalsContact O-CB 3.3Å; K291-A294 WeakPolarHBondContact O-CB 3.31Å; K291-A294 PolarHBondContact O-N 3.18Å
292	R	83.8	Confident	78.5	Confident	166 Å²	166	64.2 Å²	64.2	63%	0.626	37%	0.373	S	S	*	.	H	α-helix	trans	-57.8	-33	177.8	-77.7	174	-177	176.1	-0.6	112.9	K288 K289	K288-R292 VanDerWaalsContact O-CG 3.3Å; K288-R292 WeakPolarHBondContact O-CG 3.22Å; K288-R292 PolarHBondContact O-N 2.95Å; K289-R292 PolarHBondContact O-N 2.92Å
293	H	77.3	Confident	78	Confident	45 Å²	45	64.9 Å²	64.9	21%	0.208	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	2.3	-179.9	-64	84.6	0	0	0	112.7	K289 I290 K291 G295 A296 C305 R309	K289-H293 PolarHBondContact O-N 3.1Å; K289-H293 PolarHBondContact O-ND1 2.91Å; I290-H293 CarbonylContact O-C 3.52Å; I290-H293 PolarHBondContact O-N 2.92Å; K291-H293 PolarHBondContact O-N 3.12Å; H293-G295 PolarHBondContact O-N 3.41Å; H293-G295 VanDerWaalsContact O-N 3.14Å; H293-A296 PolarHBondContact O-N 2.88Å; H293-C305 HydrophobicContact CB-CB 4.16Å; H293-C305 WeakPolarHBondContact CB-SG 3.31Å; H293-R309 PolarHBondContact O-NH2 3.21Å
294	A	72.9	Confident	77.4	Confident	82 Å²	82	62.2 Å²	62.2	68%	0.678	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.7	-175.5	0	0	0	0	0	113.8	I290 K291	I290-A294 PolarHBondContact O-N 3.01Å; I290-A294 VanDerWaalsContact O-N 3.13Å; K291-A294 VanDerWaalsContact O-CB 3.3Å; K291-A294 WeakPolarHBondContact O-CB 3.31Å; K291-A294 PolarHBondContact O-N 3.18Å
295	G	64.9	Low	76.8	Confident	67 Å²	67	59.2 Å²	59.2	69%	0.691	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-2.2	-180	0	0	0	0	0	116.3	H293 T297	H293-G295 PolarHBondContact O-N 3.41Å; H293-G295 VanDerWaalsContact O-N 3.14Å; G295-T297 PolarHBondContact O-N 3.47Å
296	A	65.6	Low	76.3	Confident	50 Å²	50	59.6 Å²	59.6	41%	0.413	35%	0.349	S	S	.	.			trans	-80.6	112.2	-177.7	0	0	0	0	0	111	H293 G298 R309	H293-A296 PolarHBondContact O-N 2.88Å; A296-G298 VanDerWaalsContact C-N 3.34Å; A296-G298 PolarHBondContact O-N 3.27Å; A296-R309 PolarHBondContact O-NH2 3.25Å
297	T	53.4	Low	76	Confident	156 Å²	156	59.9 Å²	59.9	96%	0.957	35%	0.351	S	S	*	.			trans	-87.9	11.5	-175	47.1	0	0	0	0	114.9	G295	G295-T297 PolarHBondContact O-N 3.47Å
298	G	57.2	Low	75.5	Confident	40 Å²	40	61.9 Å²	61.9	41%	0.412	36%	0.356	S	S	.	.	S	Bend	trans	-109.7	173.1	175.9	0	0	0	0	0	114.1	A296 S300	A296-G298 VanDerWaalsContact C-N 3.34Å; A296-G298 PolarHBondContact O-N 3.27Å; G298-S300 PolarHBondContact O-N 3.43Å
299	P	56.8	Low	75.1	Confident	125 Å²	125	61.3 Å²	61.3	81%	0.812	35%	0.351	S	S	*	.			trans	-50.9	126.4	166.7	-17.9	28.9	0	0	0	108.8	D301	P299-D301 PolarHBondContact O-N 2.99Å
300	S	59.9	Low	74.6	Confident	15 Å²	15	68.1 Å²	68.1	11%	0.105	38%	0.383	C	S	.	.			trans	-79.2	125	177.6	-161.9	0	0	0	0	108.2	G298 D302 D306	G298-S300 PolarHBondContact O-N 3.43Å; S300-D302 PolarHBondContact O-N 3.17Å; S300-D302 VanDerWaalsContact O-N 3.15Å; S300-D302 WeakPolarHBondContact OG-CB 3.15Å; S300-D302 PolarHBondContact OG-N 2.65Å; S300-D306 WeakPolarHBondContact CB-OD1 3.15Å; S300-D306 PolarHBondContact N-OD1 3.1Å; S300-D306 VanDerWaalsContact O-OD2 3.1Å
301	D	64.9	Low	74.1	Confident	144 Å²	144	68.2 Å²	68.2	77%	0.77	39%	0.385	S	S	*	.	S	Bend	trans	-66.1	-6.9	164.4	-72.9	-36.2	0	0	0	111.7	P299	P299-D301 PolarHBondContact O-N 2.99Å
302	D	78.1	Confident	73.8	Confident	12 Å²	12	70 Å²	70	6%	0.064	40%	0.395	C	S	.	.			trans	-94.6	116.7	175.8	-170	-91.9	0	0	0	112.8	K289 S300 L304 C305 D306	K289-D302 WeakPolarHBondContact CE-OD1 3.36Å; K289-D302 WeakPolarHBondContact CE-OD2 3.45Å; K289-D302 IonicContact NZ-OD1 3.7Å; K289-D302 PolarHBondContact NZ-OD1 3.47Å; K289-D302 IonicContact NZ-OD2 2.71Å; K289-D302 PolarHBondContact NZ-OD2 3.22Å; S300-D302 PolarHBondContact O-N 3.17Å; S300-D302 VanDerWaalsContact O-N 3.15Å; S300-D302 WeakPolarHBondContact OG-CB 3.15Å; S300-D302 PolarHBondContact OG-N 2.65Å; D302-L304 VanDerWaalsContact C-N 3.29Å; D302-L304 PolarHBondContact O-N 3.29Å; D302-L304 WeakPolarHBondContact OD1-CA 3.1Å; D302-L304 WeakPolarHBondContact OD1-CB 3.45Å; D302-L304 PolarHBondContact OD1-N 3.05Å; D302-C305 HydrophobicContact CB-CB 4.31Å; D302-C305 PolarHBondContact O-N 3.02Å; D302-C305 PolarHBondContact OD1-N 2.87Å; D302-C305 VanDerWaalsContact OD1-N 3.07Å; D302-D306 PolarHBondContact O-N 2.79Å
303	F	81.3	Confident	74.1	Confident	14 Å²	14	62.6 Å²	62.6	6%	0.061	37%	0.368	C	S	.	.	H	α-helix	trans	-64.8	-29.6	-175.9	78.7	-89.3	0	0	0	113.9	K166 L167 V218 L219 I307 I322	K166-F303 HydrophobicContact CB-CB 3.8Å; K166-F303 HydrophobicContact CB-CD2 4.28Å; K166-F303 HydrophobicContact CB-CG 4.35Å; K166-F303 HydrophobicContact CD-CB 4.05Å; K166-F303 HydrophobicContact CG-CB 3.89Å; L167-F303 HydrophobicContact CD2-CE2 4.35Å; V218-F303 HydrophobicContact CG1-CE1 4.03Å; L219-F303 HydrophobicContact CD2-CZ 3.77Å; F303-I307 HydrophobicContact CD2-CD1 3.95Å; F303-I307 WeakPolarHBondContact O-CB 3.23Å; F303-I307 WeakPolarHBondContact O-CG1 3.41Å; F303-I307 PolarHBondContact O-N 2.93Å; F303-I322 HydrophobicContact CE2-CD1 4.31Å
304	L	83	Confident	74.8	Confident	1 Å²	1	63 Å²	63	1%	0.005	38%	0.376	C	S	.	.	H	α-helix	trans	-73.6	-43.4	-178.4	180	154.1	0	0	0	110.1	I286 K289 I290 D302 I307 Y308 I322	I286-L304 HydrophobicContact CG1-CD1 4.39Å; I286-L304 HydrophobicContact CG2-CD1 4.49Å; I286-L304 HydrophobicContact CG2-CD2 4.47Å; K289-L304 HydrophobicContact CD-CD1 4.44Å; K289-L304 HydrophobicContact CD-CD2 4.42Å; K289-L304 HydrophobicContact CG-CD2 4.46Å; I290-L304 HydrophobicContact CD1-CD2 4.33Å; I290-L304 HydrophobicContact CG1-CD2 3.78Å; D302-L304 VanDerWaalsContact C-N 3.29Å; D302-L304 PolarHBondContact O-N 3.29Å; D302-L304 WeakPolarHBondContact OD1-CA 3.1Å; D302-L304 WeakPolarHBondContact OD1-CB 3.45Å; D302-L304 PolarHBondContact OD1-N 3.05Å; L304-I307 PolarHBondContact O-N 2.96Å; L304-Y308 WeakPolarHBondContact O-CB 3.39Å; L304-Y308 PolarHBondContact O-N 3.03Å; L304-I322 HydrophobicContact CD1-CD1 3.65Å; L304-I322 HydrophobicContact CD1-CG1 3.76Å; L304-I322 HydrophobicContact CG-CD1 4.39Å
305	C	80.4	Confident	75.7	Confident	3 Å²	3	62.9 Å²	62.9	2%	0.02	36%	0.36	C	S	.	.	H	α-helix	trans	-65.4	-40.8	175.4	-67.3	0	0	0	0	111.7	H293 D302 Y308 R309	H293-C305 HydrophobicContact CB-CB 4.16Å; H293-C305 WeakPolarHBondContact CB-SG 3.31Å; D302-C305 HydrophobicContact CB-CB 4.31Å; D302-C305 PolarHBondContact O-N 3.02Å; D302-C305 PolarHBondContact OD1-N 2.87Å; D302-C305 VanDerWaalsContact OD1-N 3.07Å; C305-Y308 PolarHBondContact O-N 3.38Å; C305-R309 WeakPolarHBondContact O-CG 3.27Å; C305-R309 PolarHBondContact O-N 3.23Å
306	D	81.3	Confident	77.2	Confident	20 Å²	20	63.7 Å²	63.7	11%	0.107	34%	0.344	C	S	.	.	H	α-helix	trans	-60.8	-44.2	173.5	-93.3	2	0	0	0	112.4	K166 S300 D302 R309 H310	K166-D306 IonicContact NZ-OD2 2.81Å; K166-D306 PolarHBondContact NZ-OD2 3.29Å; S300-D306 WeakPolarHBondContact CB-OD1 3.15Å; S300-D306 PolarHBondContact N-OD1 3.1Å; S300-D306 VanDerWaalsContact O-OD2 3.1Å; D302-D306 PolarHBondContact O-N 2.79Å; D306-R309 PolarHBondContact O-N 3.26Å; D306-H310 WeakPolarHBondContact O-CB 3.35Å; D306-H310 PolarHBondContact O-N 2.91Å; D306-H310 PolarHBondContact O-ND1 3.25Å; D306-H310 IonicContact OD1-CE1 2.62Å
307	I	85.3	Confident	78.6	Confident	6 Å²	6	62.8 Å²	62.8	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-60.3	-49.3	174.2	-75.2	172.1	0	0	0	109.7	T162 F163 K166 F303 L304 R309 H310 S311 L313 L318	T162-I307 HydrophobicContact CG2-CB 4.21Å; T162-I307 HydrophobicContact CG2-CD1 4.34Å; T162-I307 HydrophobicContact CG2-CG1 3.85Å; T162-I307 HydrophobicContact CG2-CG2 3.58Å; F163-I307 HydrophobicContact CD1-CD1 3.78Å; F163-I307 HydrophobicContact CD2-CD1 4.47Å; F163-I307 HydrophobicContact CE1-CD1 3.91Å; F163-I307 HydrophobicContact CG-CD1 4.09Å; F163-I307 HydrophobicContact CZ-CD1 4.32Å; K166-I307 HydrophobicContact CB-CD1 4.47Å; K166-I307 HydrophobicContact CG-CD1 4.11Å; K166-I307 HydrophobicContact CG-CG1 4.09Å; F303-I307 HydrophobicContact CD2-CD1 3.95Å; F303-I307 WeakPolarHBondContact O-CB 3.23Å; F303-I307 WeakPolarHBondContact O-CG1 3.41Å; F303-I307 PolarHBondContact O-N 2.93Å; L304-I307 PolarHBondContact O-N 2.96Å; I307-R309 VanDerWaalsContact C-N 3.3Å; I307-R309 PolarHBondContact O-N 3.27Å; I307-H310 PolarHBondContact O-N 3.15Å; I307-S311 WeakPolarHBondContact O-CA 2.87Å; I307-S311 WeakPolarHBondContact O-CB 3.5Å; I307-S311 PolarHBondContact O-N 3.46Å; I307-S311 PolarHBondContact O-OG 3.04Å; I307-L313 HydrophobicContact CG2-CD1 4.01Å; I307-L318 HydrophobicContact CG2-CD2 3.68Å
308	Y	83.6	Confident	80.5	Confident	81 Å²	81	55.4 Å²	55.4	32%	0.318	29%	0.286	S	S	.	.	H	α-helix	trans	-61.7	-35.7	-178	-179.8	-114.1	0	0	0	113.4	I290 L304 C305 K315 L318	I290-Y308 HydrophobicContact CD1-CD1 4.28Å; I290-Y308 HydrophobicContact CD1-CD2 4.17Å; I290-Y308 HydrophobicContact CD1-CE2 4.37Å; I290-Y308 HydrophobicContact CD1-CG 4.08Å; I290-Y308 HydrophobicContact CG1-CD1 4.31Å; I290-Y308 HydrophobicContact CG1-CG 4.41Å; I290-Y308 HydrophobicContact CG2-CD1 3.66Å; I290-Y308 HydrophobicContact CG2-CE1 3.48Å; I290-Y308 VanDerWaalsContact CG2-CE1 3.48Å; I290-Y308 HydrophobicContact CG2-CG 4.49Å; L304-Y308 WeakPolarHBondContact O-CB 3.39Å; L304-Y308 PolarHBondContact O-N 3.03Å; C305-Y308 PolarHBondContact O-N 3.38Å; Y308-K315 HydrophobicContact CE2-CG 3.79Å; Y308-K315 WeakPolarHBondContact OH-CE 3.46Å; Y308-L318 HydrophobicContact CD2-CD1 3.39Å; Y308-L318 HydrophobicContact CE2-CD1 4.34Å; Y308-L318 HydrophobicContact CG-CD1 3.99Å
309	R	81.4	Confident	82.3	Confident	90 Å²	90	54.5 Å²	54.5	34%	0.34	27%	0.271	S	S	.	.	H	α-helix	trans	-81.3	-37.3	-178.9	-68.5	172.2	-177.1	175.2	-12.9	114	H293 A296 C305 D306 I307	H293-R309 PolarHBondContact O-NH2 3.21Å; A296-R309 PolarHBondContact O-NH2 3.25Å; C305-R309 WeakPolarHBondContact O-CG 3.27Å; C305-R309 PolarHBondContact O-N 3.23Å; D306-R309 PolarHBondContact O-N 3.26Å; I307-R309 VanDerWaalsContact C-N 3.3Å; I307-R309 PolarHBondContact O-N 3.27Å
310	H	78.6	Confident	84.2	Confident	146 Å²	146	48.5 Å²	48.5	68%	0.676	23%	0.232	S	C	*	.	H	α-helix	trans	-106.6	-4	-170.8	-56.9	94	0	0	0	113.6	D306 I307	D306-H310 WeakPolarHBondContact O-CB 3.35Å; D306-H310 PolarHBondContact O-N 2.91Å; D306-H310 PolarHBondContact O-ND1 3.25Å; D306-H310 IonicContact OD1-CE1 2.62Å; I307-H310 PolarHBondContact O-N 3.15Å
311	S	78.6	Confident	86	Confident	18 Å²	18	47.8 Å²	47.8	13%	0.126	23%	0.227	C	C	.	.	S	Bend	trans	-108.4	154.5	172.6	80	0	0	0	0	111.1	I307 L313	I307-S311 WeakPolarHBondContact O-CA 2.87Å; I307-S311 WeakPolarHBondContact O-CB 3.5Å; I307-S311 PolarHBondContact O-N 3.46Å; I307-S311 PolarHBondContact O-OG 3.04Å; S311-L313 PolarHBondContact O-N 3.36Å; S311-L313 WeakPolarHBondContact OG-CB 2.96Å; S311-L313 WeakPolarHBondContact OG-CG 3.5Å; S311-L313 PolarHBondContact OG-N 3.18Å
312	H	82.2	Confident	87.4	Confident	189 Å²	189	41 Å²	41	88%	0.875	19%	0.19	S	C	*	.			trans	-82.5	24.6	172.5	-58.7	-70.3	0	0	0	112.5
313	L	89.7	Confident	88.2	Confident	10 Å²	10	40.4 Å²	40.4	5%	0.052	19%	0.187	C	C	.	.			trans	-79.6	131.3	179.4	-64.1	-177.7	0	0	0	110.9	V159 T162 F163 I307 S311 E317 L318	V159-L313 HydrophobicContact CG2-CD2 3.88Å; T162-L313 HydrophobicContact CG2-CD1 3.96Å; F163-L313 HydrophobicContact CD2-CD1 4.43Å; F163-L313 HydrophobicContact CE2-CD1 3.88Å; I307-L313 HydrophobicContact CG2-CD1 4.01Å; S311-L313 PolarHBondContact O-N 3.36Å; S311-L313 WeakPolarHBondContact OG-CB 2.96Å; S311-L313 WeakPolarHBondContact OG-CG 3.5Å; S311-L313 PolarHBondContact OG-N 3.18Å; L313-E317 HydrophobicContact CD2-CB 4.5Å; L313-L318 HydrophobicContact CB-CD2 4.23Å; L313-L318 HydrophobicContact CB-CG 4.37Å; L313-L318 HydrophobicContact CD1-CD2 3.98Å
314	S	92.2	Very high	88.9	Confident	54 Å²	54	39.9 Å²	39.9	38%	0.378	19%	0.185	S	C	.	.			trans	-68.3	159.9	171.2	68.3	0	0	0	0	111.6	K316 E317 L318	S314-K316 VanDerWaalsContact C-N 3.27Å; S314-K316 PolarHBondContact O-N 2.87Å; S314-E317 WeakPolarHBondContact CB-OE2 3.28Å; S314-E317 PolarHBondContact N-OE2 3.42Å; S314-E317 PolarHBondContact O-N 3.47Å; S314-E317 VanDerWaalsContact OG-CG 3.31Å; S314-E317 WeakPolarHBondContact OG-CG 3.4Å; S314-E317 PolarHBondContact OG-N 2.76Å; S314-E317 PolarHBondContact OG-OE2 2.82Å; S314-L318 PolarHBondContact O-N 2.98Å
315	K	92.3	Very high	89.4	Confident	79 Å²	79	40.9 Å²	40.9	34%	0.343	19%	0.19	S	C	.	.	H	α-helix	trans	-58	-39.5	173.3	-72.2	-170.6	176.8	-170.9	0	112.6	D287 Y308 E317 L318 Y319	D287-K315 IonicContact OD1-NZ 2.96Å; Y308-K315 HydrophobicContact CE2-CG 3.79Å; Y308-K315 WeakPolarHBondContact OH-CE 3.46Å; K315-E317 VanDerWaalsContact C-N 3.35Å; K315-E317 PolarHBondContact O-N 2.84Å; K315-L318 PolarHBondContact O-N 2.97Å; K315-Y319 HydrophobicContact CB-CE2 4.01Å; K315-Y319 WeakPolarHBondContact O-CD1 3.24Å; K315-Y319 VanDerWaalsContact O-CD2 3.23Å; K315-Y319 WeakPolarHBondContact O-CD2 3.26Å; K315-Y319 PolarHBondContact O-N 3.07Å
316	K	94.6	Very high	90	Very high	84 Å²	84	40.8 Å²	40.8	37%	0.365	19%	0.189	S	C	.	.	H	α-helix	trans	-59.5	-45.3	177	-73	-169.5	176.6	-169	0	111.4	D143 A145 S314 L318 Y319 A320	D143-K316 WeakPolarHBondContact O-CE 3.47Å; D143-K316 PolarHBondContact O-NZ 3.07Å; D143-K316 IonicContact OD1-NZ 2.63Å; D143-K316 PolarHBondContact OD1-NZ 3.49Å; D143-K316 IonicContact OD2-NZ 2.97Å; D143-K316 PolarHBondContact OD2-NZ 2.97Å; A145-K316 HydrophobicContact CB-CB 4.06Å; A145-K316 WeakPolarHBondContact CB-O 3.33Å; S314-K316 VanDerWaalsContact C-N 3.27Å; S314-K316 PolarHBondContact O-N 2.87Å; K316-L318 VanDerWaalsContact C-N 3.33Å; K316-L318 PolarHBondContact O-N 2.68Å; K316-Y319 PolarHBondContact O-N 3.4Å; K316-A320 PolarHBondContact O-N 2.98Å
317	E	95.3	Very high	90.5	Very high	31 Å²	31	40.2 Å²	40.2	15%	0.145	19%	0.186	C	C	.	.	H	α-helix	trans	-63	-38.6	176.1	-71.8	165.8	113.5	0	0	112.1	A145 R158 L313 S314 K315 A320 A321	A145-E317 HydrophobicContact CB-CB 4.49Å; A145-E317 HydrophobicContact CB-CG 4.05Å; R158-E317 IonicContact CZ-OE1 3.77Å; R158-E317 IonicContact NE-OE1 2.84Å; R158-E317 IonicContact NH2-OE1 3.15Å; R158-E317 PolarHBondContact NH2-OE1 3.06Å; L313-E317 HydrophobicContact CD2-CB 4.5Å; S314-E317 WeakPolarHBondContact CB-OE2 3.28Å; S314-E317 PolarHBondContact N-OE2 3.42Å; S314-E317 PolarHBondContact O-N 3.47Å; S314-E317 VanDerWaalsContact OG-CG 3.31Å; S314-E317 WeakPolarHBondContact OG-CG 3.4Å; S314-E317 PolarHBondContact OG-N 2.76Å; S314-E317 PolarHBondContact OG-OE2 2.82Å; K315-E317 VanDerWaalsContact C-N 3.35Å; K315-E317 PolarHBondContact O-N 2.84Å; E317-A320 PolarHBondContact O-N 3.32Å; E317-A321 VanDerWaalsContact O-CB 3.31Å; E317-A321 WeakPolarHBondContact O-CB 3.26Å; E317-A321 PolarHBondContact O-N 2.88Å
318	L	94.1	Very high	90.7	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-65	-43.7	174.3	-68.9	-179.2	0	0	0	112.5	F163 I290 I307 Y308 L313 S314 K315 K316 A320 A321 I322	F163-L318 HydrophobicContact CE2-CD2 4.4Å; F163-L318 HydrophobicContact CZ-CD2 4.11Å; I290-L318 HydrophobicContact CD1-CD1 4.44Å; I307-L318 HydrophobicContact CG2-CD2 3.68Å; Y308-L318 HydrophobicContact CD2-CD1 3.39Å; Y308-L318 HydrophobicContact CE2-CD1 4.34Å; Y308-L318 HydrophobicContact CG-CD1 3.99Å; L313-L318 HydrophobicContact CB-CD2 4.23Å; L313-L318 HydrophobicContact CB-CG 4.37Å; L313-L318 HydrophobicContact CD1-CD2 3.98Å; S314-L318 PolarHBondContact O-N 2.98Å; K315-L318 PolarHBondContact O-N 2.97Å; K316-L318 VanDerWaalsContact C-N 3.33Å; K316-L318 PolarHBondContact O-N 2.68Å; L318-A320 VanDerWaalsContact C-N 3.31Å; L318-A320 PolarHBondContact O-N 3.04Å; L318-A321 PolarHBondContact O-N 2.96Å; L318-I322 VanDerWaalsContact O-CB 3.3Å; L318-I322 WeakPolarHBondContact O-CB 3.28Å; L318-I322 VanDerWaalsContact O-CG1 3.22Å; L318-I322 WeakPolarHBondContact O-CG1 3.49Å; L318-I322 PolarHBondContact O-N 3.46Å
319	Y	95.8	Very high	91.2	Very high	21 Å²	21	38.1 Å²	38.1	8%	0.082	19%	0.191	C	C	.	.	H	α-helix	trans	-57.1	-47.3	175.8	-57.6	-33.3	0	0	0	110.8	K283 I286 D287 K315 K316 T323	K283-Y319 HydrophobicContact CB-CD1 4.48Å; K283-Y319 HydrophobicContact CB-CE1 4.36Å; K283-Y319 HydrophobicContact CD-CD2 4.15Å; K283-Y319 HydrophobicContact CD-CE2 4.29Å; K283-Y319 HydrophobicContact CG-CD1 3.93Å; K283-Y319 HydrophobicContact CG-CD2 3.61Å; K283-Y319 HydrophobicContact CG-CE1 4.12Å; K283-Y319 HydrophobicContact CG-CE2 3.82Å; K283-Y319 HydrophobicContact CG-CG 3.67Å; I286-Y319 HydrophobicContact CB-CD1 4.01Å; I286-Y319 HydrophobicContact CB-CE1 3.99Å; I286-Y319 HydrophobicContact CD1-CD1 3.78Å; I286-Y319 HydrophobicContact CG2-CD1 3.83Å; I286-Y319 HydrophobicContact CG2-CE1 3.72Å; D287-Y319 PolarHBondContact OD1-OH 3.22Å; D287-Y319 PolarHBondContact OD2-OH 3.15Å; K315-Y319 HydrophobicContact CB-CE2 4.01Å; K315-Y319 WeakPolarHBondContact O-CD1 3.24Å; K315-Y319 VanDerWaalsContact O-CD2 3.23Å; K315-Y319 WeakPolarHBondContact O-CD2 3.26Å; K315-Y319 PolarHBondContact O-N 3.07Å; K316-Y319 PolarHBondContact O-N 3.4Å; Y319-T323 WeakPolarHBondContact O-CB 3.4Å; Y319-T323 PolarHBondContact O-N 3.28Å; Y319-T323 PolarHBondContact O-OG1 3.02Å
320	A	96.8	Very high	91.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.4	-49.6	179.4	0	0	0	0	0	112.8	A145 F279 K316 E317 L318 T323 E324	A145-A320 HydrophobicContact CB-CB 3.93Å; A145-A320 WeakPolarHBondContact O-CB 3.3Å; F279-A320 HydrophobicContact CE1-CB 4.49Å; K316-A320 PolarHBondContact O-N 2.98Å; E317-A320 PolarHBondContact O-N 3.32Å; L318-A320 VanDerWaalsContact C-N 3.31Å; L318-A320 PolarHBondContact O-N 3.04Å; A320-T323 PolarHBondContact O-N 2.83Å; A320-E324 WeakPolarHBondContact O-CG 3.3Å; A320-E324 PolarHBondContact O-N 2.81Å
321	A	95.9	Very high	92.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.8	-42.7	-177	0	0	0	0	0	112.7	V159 F163 E317 L318 E324 L325	V159-A321 HydrophobicContact CG1-CB 4.18Å; F163-A321 HydrophobicContact CD2-CB 4.42Å; F163-A321 HydrophobicContact CE1-CB 4.42Å; F163-A321 HydrophobicContact CE2-CB 3.56Å; F163-A321 HydrophobicContact CZ-CB 3.55Å; E317-A321 VanDerWaalsContact O-CB 3.31Å; E317-A321 WeakPolarHBondContact O-CB 3.26Å; E317-A321 PolarHBondContact O-N 2.88Å; L318-A321 PolarHBondContact O-N 2.96Å; A321-E324 PolarHBondContact O-N 3.44Å; A321-L325 VanDerWaalsContact O-CG 3.28Å; A321-L325 WeakPolarHBondContact O-CG 3.35Å; A321-L325 PolarHBondContact O-N 3.22Å
322	I	94.8	Very high	93.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-69.4	-40.6	178.8	-63.9	-67.4	0	0	0	111.2	F163 L219 Y220 I286 F303 L304 L318 E324 L325 Q326	F163-I322 HydrophobicContact CE1-CD1 3.68Å; F163-I322 HydrophobicContact CE1-CG1 4.47Å; F163-I322 HydrophobicContact CZ-CD1 4.09Å; F163-I322 HydrophobicContact CZ-CG1 4.41Å; L219-I322 HydrophobicContact CB-CG2 4.17Å; L219-I322 HydrophobicContact CD1-CG2 4.19Å; L219-I322 HydrophobicContact CD2-CD1 4.38Å; Y220-I322 HydrophobicContact CD1-CG2 4.36Å; Y220-I322 HydrophobicContact CE1-CG2 3.49Å; Y220-I322 VanDerWaalsContact CE1-CG2 3.49Å; I286-I322 HydrophobicContact CD1-CB 3.74Å; I286-I322 HydrophobicContact CD1-CG1 4.25Å; I286-I322 HydrophobicContact CD1-CG2 3.76Å; I286-I322 HydrophobicContact CG1-CB 4.49Å; I286-I322 HydrophobicContact CG1-CG2 4.14Å; F303-I322 HydrophobicContact CE2-CD1 4.31Å; L304-I322 HydrophobicContact CD1-CD1 3.65Å; L304-I322 HydrophobicContact CD1-CG1 3.76Å; L304-I322 HydrophobicContact CG-CD1 4.39Å; L318-I322 VanDerWaalsContact O-CB 3.3Å; L318-I322 WeakPolarHBondContact O-CB 3.28Å; L318-I322 VanDerWaalsContact O-CG1 3.22Å; L318-I322 WeakPolarHBondContact O-CG1 3.49Å; L318-I322 PolarHBondContact O-N 3.46Å; I322-E324 VanDerWaalsContact C-N 3.32Å; I322-E324 PolarHBondContact O-N 2.96Å; I322-L325 HydrophobicContact CD1-CD1 4.16Å; I322-L325 WeakPolarHBondContact O-CB 3.39Å; I322-L325 PolarHBondContact O-N 2.86Å; I322-Q326 PolarHBondContact O-N 3.22Å
323	T	95.1	Very high	93.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.1	-44.5	175.5	-62.2	0	0	0	0	111.1	W275 I278 F279 A282 Y319 A320 Q326 I327	W275-T323 HydrophobicContact CZ3-CG2 4.05Å; I278-T323 HydrophobicContact CG2-CG2 3.38Å; F279-T323 HydrophobicContact CE2-CG2 4.38Å; F279-T323 HydrophobicContact CZ-CG2 4.45Å; A282-T323 VanDerWaalsContact CB-OG1 3.28Å; A282-T323 WeakPolarHBondContact CB-OG1 3.29Å; Y319-T323 WeakPolarHBondContact O-CB 3.4Å; Y319-T323 PolarHBondContact O-N 3.28Å; Y319-T323 PolarHBondContact O-OG1 3.02Å; A320-T323 PolarHBondContact O-N 2.83Å; T323-Q326 WeakPolarHBondContact O-CB 3.46Å; T323-Q326 PolarHBondContact O-N 3.06Å; T323-I327 HydrophobicContact CG2-CD1 3.89Å; T323-I327 VanDerWaalsContact O-CG1 3.32Å; T323-I327 WeakPolarHBondContact O-CG1 3.32Å; T323-I327 PolarHBondContact O-N 3.02Å
324	E	95.2	Very high	94.2	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.019	12%	0.124	C	C	.	.	H	α-helix	trans	-70.4	-33.7	178.3	-75.2	177.8	-154	0	0	113.4	R139 G147 L148 L149 A320 A321 I322 Q326 I327 G328	R139-E324 IonicContact CZ-OE1 3.42Å; R139-E324 IonicContact NH1-OE1 2.66Å; R139-E324 PolarHBondContact NH1-OE1 3.4Å; R139-E324 IonicContact NH2-OE1 3.38Å; R139-E324 PolarHBondContact NH2-OE1 3.32Å; G147-E324 VanDerWaalsContact CA-OE1 3.24Å; G147-E324 WeakPolarHBondContact CA-OE1 3.39Å; G147-E324 WeakPolarHBondContact CA-OE2 3.41Å; G147-E324 PolarHBondContact N-OE1 3.39Å; L148-E324 PolarHBondContact N-OE2 3.46Å; L148-E324 VanDerWaalsContact N-OE2 3.08Å; L149-E324 VanDerWaalsContact CB-OE2 3.25Å; L149-E324 WeakPolarHBondContact CB-OE2 3.36Å; L149-E324 HydrophobicContact CD1-CB 3.98Å; L149-E324 HydrophobicContact CD1-CG 4.27Å; L149-E324 HydrophobicContact CG-CB 4.22Å; L149-E324 PolarHBondContact N-OE2 2.87Å; A320-E324 WeakPolarHBondContact O-CG 3.3Å; A320-E324 PolarHBondContact O-N 2.81Å; A321-E324 PolarHBondContact O-N 3.44Å; I322-E324 VanDerWaalsContact C-N 3.32Å; I322-E324 PolarHBondContact O-N 2.96Å; E324-Q326 VanDerWaalsContact C-N 3.31Å; E324-I327 PolarHBondContact O-N 2.61Å; E324-G328 PolarHBondContact O-N 2.95Å
325	L	95.1	Very high	94.4	Very high	22 Å²	22	19.8 Å²	19.8	12%	0.115	11%	0.106	C	C	.	.	H	α-helix	trans	-61.6	-41.1	171.6	-77.4	169.5	0	0	0	111.8	F163 L167 L219 A321 I322 G329 I465	F163-L325 HydrophobicContact CD1-CD1 3.65Å; F163-L325 HydrophobicContact CE1-CD1 3.58Å; L167-L325 HydrophobicContact CD1-CD1 3.77Å; L167-L325 HydrophobicContact CD1-CD2 3.73Å; L167-L325 HydrophobicContact CD1-CG 4.44Å; L219-L325 HydrophobicContact CD1-CB 4.25Å; L219-L325 HydrophobicContact CD2-CB 4.39Å; A321-L325 VanDerWaalsContact O-CG 3.28Å; A321-L325 WeakPolarHBondContact O-CG 3.35Å; A321-L325 PolarHBondContact O-N 3.22Å; I322-L325 HydrophobicContact CD1-CD1 4.16Å; I322-L325 WeakPolarHBondContact O-CB 3.39Å; I322-L325 PolarHBondContact O-N 2.86Å; L325-G329 PolarHBondContact O-N 3.48Å; L325-I465 HydrophobicContact CD2-CG2 3.35Å
326	Q	92.8	Very high	94.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.2	-54.8	175.5	-172.3	-177.9	8.6	0	0	110.7	M212 I215 C216 L219 Y220 F238 I322 T323 E324 G328 G329 V330	M212-Q326 VanDerWaalsContact CE-NE2 3.34Å; I215-Q326 HydrophobicContact CG2-CG 4.15Å; C216-Q326 PolarHBondContact SG-NE2 2.94Å; L219-Q326 HydrophobicContact CD1-CB 3.62Å; L219-Q326 HydrophobicContact CD1-CG 4.31Å; Y220-Q326 PolarHBondContact OH-OE1 2.6Å; F238-Q326 VanDerWaalsContact CZ-OE1 3.24Å; I322-Q326 PolarHBondContact O-N 3.22Å; T323-Q326 WeakPolarHBondContact O-CB 3.46Å; T323-Q326 PolarHBondContact O-N 3.06Å; E324-Q326 VanDerWaalsContact C-N 3.31Å; Q326-G328 VanDerWaalsContact C-N 3.28Å; Q326-G328 PolarHBondContact O-N 3.45Å; Q326-G329 PolarHBondContact O-N 3.34Å; Q326-V330 HydrophobicContact CG-CG2 4.44Å; Q326-V330 WeakPolarHBondContact O-CG2 3.45Å; Q326-V330 PolarHBondContact O-N 3.33Å
327	I	90.9	Very high	94.9	Very high	8 Å²	8	12.8 Å²	12.8	4%	0.041	8%	0.078	C	C	.	.	H	α-helix	trans	-54.6	-45.4	-178.7	-71.2	168.4	0	0	0	111.1	W135 M245 M246 W275 I278 T323 E324 G329	W135-I327 HydrophobicContact CH2-CG2 4.25Å; M245-I327 HydrophobicContact CE-CD1 3.86Å; M245-I327 HydrophobicContact CE-CG1 4.33Å; M245-I327 HydrophobicContact CE-CG2 3.98Å; M246-I327 HydrophobicContact CE-CG2 3.34Å; W275-I327 HydrophobicContact CH2-CD1 3.36Å; W275-I327 HydrophobicContact CZ3-CD1 3.37Å; I278-I327 HydrophobicContact CG2-CD1 4.44Å; T323-I327 HydrophobicContact CG2-CD1 3.89Å; T323-I327 VanDerWaalsContact O-CG1 3.32Å; T323-I327 WeakPolarHBondContact O-CG1 3.32Å; T323-I327 PolarHBondContact O-N 3.02Å; E324-I327 PolarHBondContact O-N 2.61Å; I327-G329 VanDerWaalsContact C-N 3.32Å; I327-G329 PolarHBondContact O-N 2.97Å
328	G	90.9	Very high	95.1	Very high	31 Å²	31	11.4 Å²	11.4	32%	0.32	7%	0.071	S	C	.	.	H	α-helix	trans	-70.1	-25.7	177.9	0	0	0	0	0	114.2	E324 Q326 T332	E324-G328 PolarHBondContact O-N 2.95Å; Q326-G328 VanDerWaalsContact C-N 3.28Å; Q326-G328 PolarHBondContact O-N 3.45Å; G328-T332 PolarHBondContact O-OG1 3.48Å
329	G	92.3	Very high	95.3	Very high	13 Å²	13	11.6 Å²	11.6	13%	0.134	7%	0.072	C	C	.	.	H	α-helix	trans	-86.9	-25.2	-172	0	0	0	0	0	115.5	S211 L325 Q326 I327 T333	S211-G329 PolarHBondContact OG-O 3.06Å; L325-G329 PolarHBondContact O-N 3.48Å; Q326-G329 PolarHBondContact O-N 3.34Å; I327-G329 VanDerWaalsContact C-N 3.32Å; I327-G329 PolarHBondContact O-N 2.97Å; G329-T333 WeakPolarHBondContact O-CB 3.27Å; G329-T333 PolarHBondContact O-OG1 3.2Å
330	V	91.6	Very high	95.4	Very high	16 Å²	16	10.7 Å²	10.7	10%	0.097	7%	0.069	C	C	.	.	H	α-helix	trans	-73.7	-73.6	-174.2	180	0	0	0	0	111.5	S211 M212 I215 Q326 T332 T333 A334	S211-V330 WeakPolarHBondContact CB-O 3.46Å; S211-V330 WeakPolarHBondContact OG-CA 3.41Å; S211-V330 PolarHBondContact OG-O 2.8Å; M212-V330 HydrophobicContact CB-CG1 3.88Å; M212-V330 HydrophobicContact CB-CG2 4.21Å; M212-V330 HydrophobicContact SD-CG2 3.61Å; I215-V330 HydrophobicContact CG2-CG2 3.69Å; Q326-V330 HydrophobicContact CG-CG2 4.44Å; Q326-V330 WeakPolarHBondContact O-CG2 3.45Å; Q326-V330 PolarHBondContact O-N 3.33Å; V330-T332 PolarHBondContact O-N 2.91Å; V330-T333 PolarHBondContact O-N 3.11Å; V330-A334 PolarHBondContact O-N 3.44Å
331	E	90.9	Very high	95.5	Very high	56 Å²	56	10.7 Å²	10.7	26%	0.262	7%	0.069	S	C	.	.	H	α-helix	trans	-67.6	-39.1	-167	-169.2	177.8	178.4	0	0	111.7	Y204 T333 A334 N335	Y204-E331 WeakPolarHBondContact OH-CG 3.37Å; Y204-E331 PolarHBondContact OH-OE1 3Å; E331-T333 PolarHBondContact O-N 3.27Å; E331-A334 PolarHBondContact O-N 3.26Å; E331-N335 WeakPolarHBondContact O-CB 3.47Å; E331-N335 PolarHBondContact O-N 2.95Å
332	T	95.6	Very high	95.6	Very high	46 Å²	46	11.9 Å²	11.9	28%	0.282	7%	0.074	S	C	.	.	H	α-helix	trans	-66.2	-37.1	-177.3	65	0	0	0	0	112.8	G328 V330 S336 S392 T502	G328-T332 PolarHBondContact O-OG1 3.48Å; V330-T332 PolarHBondContact O-N 2.91Å; T332-S336 WeakPolarHBondContact O-CB 3.33Å; T332-S336 PolarHBondContact O-N 2.95Å; T332-S336 VanDerWaalsContact O-N 3.07Å; T332-S336 PolarHBondContact O-OG 3.37Å; T332-S392 PolarHBondContact O-OG 3.12Å; T332-T502 HydrophobicContact CG2-CG2 4.23Å
333	T	98.1	Very high	95.8	Very high	3 Å²	3	12.4 Å²	12.4	2%	0.018	8%	0.077	C	C	.	.	H	α-helix	trans	-74.2	-44	177.8	-50.2	0	0	0	0	110.5	W210 G329 V330 E331 N335 S336 M337 Q473 L474	W210-T333 HydrophobicContact CH2-CG2 4.16Å; W210-T333 HydrophobicContact CZ3-CG2 4.44Å; G329-T333 WeakPolarHBondContact O-CB 3.27Å; G329-T333 PolarHBondContact O-OG1 3.2Å; V330-T333 PolarHBondContact O-N 3.11Å; E331-T333 PolarHBondContact O-N 3.27Å; T333-N335 PolarHBondContact O-N 3.46Å; T333-S336 PolarHBondContact O-N 3.49Å; T333-M337 PolarHBondContact O-N 3.04Å; T333-Q473 HydrophobicContact CG2-CB 4.3Å; T333-L474 HydrophobicContact CG2-CD2 4Å; T333-L474 HydrophobicContact CG2-CG 4.06Å; T333-L474 WeakPolarHBondContact O-CD2 3.43Å
334	A	97.4	Very high	96	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-58	-48	175.7	0	0	0	0	0	111.5	L207 N208 V330 E331 S336 M337 L338	L207-A334 HydrophobicContact CB-CB 4.01Å; L207-A334 WeakPolarHBondContact O-CB 3.2Å; N208-A334 HydrophobicContact CB-CB 4.46Å; V330-A334 PolarHBondContact O-N 3.44Å; E331-A334 PolarHBondContact O-N 3.26Å; A334-S336 PolarHBondContact O-N 2.84Å; A334-M337 WeakPolarHBondContact O-CB 3.4Å; A334-M337 PolarHBondContact O-N 3.48Å; A334-L338 WeakPolarHBondContact O-CB 3.4Å; A334-L338 PolarHBondContact O-N 3.28Å
335	N	97.6	Very high	96.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64.3	-38.4	178.4	-169.7	24.6	0	0	0	112.4	Y204 E331 T333 M337 L338 W339 T502 L503	Y204-N335 HydrophobicContact CE2-CB 3.99Å; E331-N335 WeakPolarHBondContact O-CB 3.47Å; E331-N335 PolarHBondContact O-N 2.95Å; T333-N335 PolarHBondContact O-N 3.46Å; N335-M337 VanDerWaalsContact C-N 3.31Å; N335-M337 PolarHBondContact O-N 3.5Å; N335-L338 WeakPolarHBondContact O-CB 3.46Å; N335-L338 PolarHBondContact O-N 3.45Å; N335-W339 PolarHBondContact O-N 2.75Å; N335-W339 VanDerWaalsContact OD1-CD1 3.32Å; N335-W339 PolarHBondContact OD1-NE1 2.92Å; N335-W339 VanDerWaalsContact OD1-NE1 3.07Å; N335-T502 PolarHBondContact ND2-OG1 3.38Å; N335-L503 PolarHBondContact ND2-O 3.14Å; N335-L503 PolarHBondContact OD1-O 3.12Å
336	S	98.6	Very high	96.3	Very high	15 Å²	15	14.8 Å²	14.8	11%	0.105	9%	0.085	C	C	.	.	H	α-helix	trans	-64	-37.6	175.4	-55.9	0	0	0	0	112.1	T332 T333 A334 A340 S392	T332-S336 WeakPolarHBondContact O-CB 3.33Å; T332-S336 PolarHBondContact O-N 2.95Å; T332-S336 VanDerWaalsContact O-N 3.07Å; T332-S336 PolarHBondContact O-OG 3.37Å; T333-S336 PolarHBondContact O-N 3.49Å; A334-S336 PolarHBondContact O-N 2.84Å; S336-A340 WeakPolarHBondContact O-CB 3.43Å; S336-A340 PolarHBondContact O-N 3.03Å; S336-A340 VanDerWaalsContact O-N 3.13Å; S336-S392 WeakPolarHBondContact CA-OG 3.37Å; S336-S392 PolarHBondContact N-OG 3.37Å; S336-S392 PolarHBondContact OG-OG 3.25Å
337	M	98.7	Very high	96.5	Very high	1 Å²	1	17 Å²	17	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-68.8	-41.9	174.6	-172	63.5	-178.5	0	0	111.5	L207 W210 T333 A334 N335 W339 A340 I341 L474 A477 L478 V481	L207-M337 HydrophobicContact CD2-CB 4.28Å; L207-M337 HydrophobicContact CD2-CG 3.78Å; W210-M337 HydrophobicContact CH2-CB 4.32Å; W210-M337 HydrophobicContact CH2-CG 4.34Å; W210-M337 HydrophobicContact CZ3-CB 3.75Å; W210-M337 HydrophobicContact CZ3-CG 3.9Å; T333-M337 PolarHBondContact O-N 3.04Å; A334-M337 WeakPolarHBondContact O-CB 3.4Å; A334-M337 PolarHBondContact O-N 3.48Å; N335-M337 VanDerWaalsContact C-N 3.31Å; N335-M337 PolarHBondContact O-N 3.5Å; M337-W339 PolarHBondContact O-N 2.87Å; M337-A340 PolarHBondContact O-N 2.59Å; M337-A340 VanDerWaalsContact O-N 3.15Å; M337-I341 HydrophobicContact CE-CD1 4.06Å; M337-I341 HydrophobicContact CE-CG1 4.16Å; M337-I341 HydrophobicContact CG-CD1 3.91Å; M337-I341 HydrophobicContact CG-CG1 4.5Å; M337-I341 WeakPolarHBondContact O-CG1 3.26Å; M337-I341 PolarHBondContact O-N 3.45Å; M337-L474 HydrophobicContact CB-CD2 3.73Å; M337-L474 HydrophobicContact SD-CD2 4.34Å; M337-A477 HydrophobicContact CE-CB 3.76Å; M337-A477 HydrophobicContact SD-CB 3.89Å; M337-L478 HydrophobicContact CE-CD2 3.77Å; M337-L478 HydrophobicContact CE-CG 4.14Å; M337-L478 HydrophobicContact SD-CD2 3.95Å; M337-L478 HydrophobicContact SD-CG 3.97Å; M337-V481 HydrophobicContact CE-CB 4.46Å; M337-V481 HydrophobicContact CE-CG2 4.04Å
338	L	98.4	Very high	96.9	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.016	12%	0.121	C	C	.	.	H	α-helix	trans	-54.9	-50.5	176.6	-174.6	73.9	0	0	0	111.1	L203 Y204 L207 A334 N335 A340 I341 F342 P505 L509	L203-L338 HydrophobicContact CB-CD1 4.35Å; L203-L338 HydrophobicContact CD2-CD1 3.78Å; L203-L338 HydrophobicContact CG-CD1 3.81Å; Y204-L338 HydrophobicContact CD2-CD2 3.67Å; Y204-L338 HydrophobicContact CE2-CD2 4.3Å; Y204-L338 HydrophobicContact CG-CD2 4.12Å; L207-L338 HydrophobicContact CD1-CB 3.7Å; L207-L338 HydrophobicContact CD1-CD1 3.71Å; L207-L338 HydrophobicContact CD1-CG 4.34Å; A334-L338 WeakPolarHBondContact O-CB 3.4Å; A334-L338 PolarHBondContact O-N 3.28Å; N335-L338 WeakPolarHBondContact O-CB 3.46Å; N335-L338 PolarHBondContact O-N 3.45Å; L338-A340 PolarHBondContact O-N 3.31Å; L338-I341 WeakPolarHBondContact O-CB 3.39Å; L338-I341 PolarHBondContact O-N 3.19Å; L338-F342 PolarHBondContact O-N 3.34Å; L338-P505 HydrophobicContact CD2-CG 3.72Å; L338-L509 HydrophobicContact CD1-CD1 3.46Å; L338-L509 VanDerWaalsContact CD1-CD1 3.46Å; L338-L509 HydrophobicContact CD1-CG 4.03Å; L338-L509 HydrophobicContact CD2-CD1 4.48Å; L338-L509 HydrophobicContact CG-CD1 3.58Å; L338-L509 HydrophobicContact CG-CG 4.24Å; L338-L509 WeakPolarHBondContact O-CD1 3.41Å
339	W	98.6	Very high	97.2	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.015	14%	0.142	C	C	.	.	H	α-helix	trans	-66.7	-35.2	176.7	-72.1	120	0	0	0	113.3	N335 M337 F342 N343 S386 V495 T497 L503 P505	N335-W339 PolarHBondContact O-N 2.75Å; N335-W339 VanDerWaalsContact OD1-CD1 3.32Å; N335-W339 PolarHBondContact OD1-NE1 2.92Å; N335-W339 VanDerWaalsContact OD1-NE1 3.07Å; M337-W339 PolarHBondContact O-N 2.87Å; W339-F342 HydrophobicContact CE3-CB 4.42Å; W339-F342 HydrophobicContact CE3-CD1 4.06Å; W339-F342 HydrophobicContact CZ3-CD1 4.08Å; W339-F342 HydrophobicContact CZ3-CE1 4.49Å; W339-F342 PolarHBondContact O-N 2.68Å; W339-N343 VanDerWaalsContact O-CB 3.31Å; W339-N343 WeakPolarHBondContact O-CB 3.26Å; W339-N343 VanDerWaalsContact O-CG 3.3Å; W339-N343 PolarHBondContact O-N 3.2Å; W339-N343 PolarHBondContact O-ND2 2.89Å; W339-S386 PolarHBondContact O-OG 3.14Å; W339-V495 HydrophobicContact CH2-CG1 4.35Å; W339-V495 HydrophobicContact CZ3-CG1 4.37Å; W339-T497 HydrophobicContact CH2-CG2 3.62Å; W339-T497 HydrophobicContact CZ2-CG2 3.68Å; W339-L503 PolarHBondContact NE1-O 3.43Å; W339-P505 HydrophobicContact CH2-CB 4.14Å; W339-P505 HydrophobicContact CH2-CG 3.69Å; W339-P505 HydrophobicContact CZ2-CB 4.46Å; W339-P505 HydrophobicContact CZ2-CG 3.74Å; W339-P505 HydrophobicContact CZ3-CG 4.25Å
340	A	98.8	Very high	97.5	Very high	2 Å²	2	24.6 Å²	24.6	2%	0.017	14%	0.14	C	C	.	.	H	α-helix	trans	-64.2	-42.4	174.7	0	0	0	0	0	111.8	S336 M337 L338 N343 L344 L383 S386 L478	S336-A340 WeakPolarHBondContact O-CB 3.43Å; S336-A340 PolarHBondContact O-N 3.03Å; S336-A340 VanDerWaalsContact O-N 3.13Å; M337-A340 PolarHBondContact O-N 2.59Å; M337-A340 VanDerWaalsContact O-N 3.15Å; L338-A340 PolarHBondContact O-N 3.31Å; A340-N343 PolarHBondContact O-N 3.23Å; A340-L344 WeakPolarHBondContact O-CB 3.37Å; A340-L344 WeakPolarHBondContact O-CD1 3.39Å; A340-L344 VanDerWaalsContact O-CG 3.23Å; A340-L344 WeakPolarHBondContact O-CG 3.29Å; A340-L344 PolarHBondContact O-N 3.12Å; A340-L383 HydrophobicContact CB-CD2 4.1Å; A340-S386 VanDerWaalsContact CA-OG 3.3Å; A340-S386 WeakPolarHBondContact CA-OG 3.49Å; A340-S386 PolarHBondContact N-OG 2.68Å; A340-L478 HydrophobicContact CB-CD1 4.33Å; A340-L478 HydrophobicContact CB-CD2 4.24Å
341	I	98.6	Very high	97.9	Very high	1 Å²	1	24 Å²	24	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-59.2	-50	174.3	-72.6	162.2	0	0	0	110.3	L203 L207 M337 L338 N343 L344 S345 I487 V511 F513	L203-I341 HydrophobicContact CD2-CG2 4.14Å; L207-I341 HydrophobicContact CD1-CD1 4.03Å; L207-I341 HydrophobicContact CD2-CD1 4.17Å; M337-I341 HydrophobicContact CE-CD1 4.06Å; M337-I341 HydrophobicContact CE-CG1 4.16Å; M337-I341 HydrophobicContact CG-CD1 3.91Å; M337-I341 HydrophobicContact CG-CG1 4.5Å; M337-I341 WeakPolarHBondContact O-CG1 3.26Å; M337-I341 PolarHBondContact O-N 3.45Å; L338-I341 WeakPolarHBondContact O-CB 3.39Å; L338-I341 PolarHBondContact O-N 3.19Å; I341-N343 PolarHBondContact O-N 3.44Å; I341-L344 PolarHBondContact O-N 2.81Å; I341-S345 PolarHBondContact O-N 3.27Å; I341-I487 HydrophobicContact CB-CD1 4.44Å; I341-I487 HydrophobicContact CG1-CD1 4.16Å; I341-I487 HydrophobicContact CG2-CD1 4.21Å; I341-I487 HydrophobicContact CG2-CG2 3.82Å; I341-V511 HydrophobicContact CG2-CB 4.48Å; I341-V511 HydrophobicContact CG2-CG1 4.45Å; I341-V511 HydrophobicContact CG2-CG2 4.08Å; I341-F513 HydrophobicContact CD1-CZ 4.17Å; I341-F513 HydrophobicContact CG2-CZ 3.9Å
342	F	98.4	Very high	98.2	Very high	24 Å²	24	28.8 Å²	28.8	11%	0.105	16%	0.156	C	C	.	.	H	α-helix	trans	-58	-49.8	177.2	-179.1	-112	0	0	0	112.6	L338 W339 L344 S345 R346 V495 L509 P510	L338-F342 PolarHBondContact O-N 3.34Å; W339-F342 HydrophobicContact CE3-CB 4.42Å; W339-F342 HydrophobicContact CE3-CD1 4.06Å; W339-F342 HydrophobicContact CZ3-CD1 4.08Å; W339-F342 HydrophobicContact CZ3-CE1 4.49Å; W339-F342 PolarHBondContact O-N 2.68Å; F342-L344 VanDerWaalsContact C-N 3.28Å; F342-L344 PolarHBondContact O-N 3.26Å; F342-S345 PolarHBondContact O-N 2.96Å; F342-S345 PolarHBondContact O-OG 3.33Å; F342-R346 HydrophobicContact CD2-CG 4.34Å; F342-R346 HydrophobicContact CE1-CG 4.2Å; F342-R346 HydrophobicContact CE2-CG 3.95Å; F342-R346 HydrophobicContact CZ-CG 3.87Å; F342-R346 WeakPolarHBondContact O-CG 3.33Å; F342-R346 PolarHBondContact O-N 3.33Å; F342-R346 VanDerWaalsContact O-N 3.1Å; F342-V495 HydrophobicContact CE1-CB 4.43Å; F342-V495 HydrophobicContact CE2-CB 4.07Å; F342-V495 HydrophobicContact CE2-CG2 3.59Å; F342-V495 HydrophobicContact CZ-CB 3.76Å; F342-V495 HydrophobicContact CZ-CG2 3.75Å; F342-L509 HydrophobicContact CB-CD1 3.71Å; F342-L509 HydrophobicContact CB-CD2 4.23Å; F342-L509 HydrophobicContact CD2-CD1 4.43Å; F342-L509 HydrophobicContact CD2-CD2 3.75Å; F342-L509 HydrophobicContact CE2-CD2 4.37Å; F342-L509 HydrophobicContact CG-CD1 4.42Å; F342-L509 HydrophobicContact CG-CD2 4.07Å; F342-P510 HydrophobicContact CE2-CG 4.27Å
343	N	98.4	Very high	98.4	Very high	12 Å²	12	30.4 Å²	30.4	6%	0.064	16%	0.159	C	C	.	.	H	α-helix	trans	-63.2	-36.6	-178.3	-77.7	-44.3	0	0	0	111.7	W339 A340 I341 N347 S386 F437	W339-N343 VanDerWaalsContact O-CB 3.31Å; W339-N343 WeakPolarHBondContact O-CB 3.26Å; W339-N343 VanDerWaalsContact O-CG 3.3Å; W339-N343 PolarHBondContact O-N 3.2Å; W339-N343 PolarHBondContact O-ND2 2.89Å; A340-N343 PolarHBondContact O-N 3.23Å; I341-N343 PolarHBondContact O-N 3.44Å; N343-N347 WeakPolarHBondContact O-CB 3.41Å; N343-N347 PolarHBondContact O-N 2.75Å; N343-N347 PolarHBondContact O-ND2 3.42Å; N343-S386 PolarHBondContact ND2-OG 3.28Å; N343-S386 VanDerWaalsContact ND2-OG 3.13Å; N343-F437 HydrophobicContact CB-CD1 4.44Å; N343-F437 HydrophobicContact CB-CD2 3.58Å; N343-F437 HydrophobicContact CB-CE1 4.31Å; N343-F437 HydrophobicContact CB-CE2 3.49Å; N343-F437 VanDerWaalsContact CB-CE2 3.49Å; N343-F437 HydrophobicContact CB-CG 4.1Å; N343-F437 HydrophobicContact CB-CZ 3.89Å
344	L	98.6	Very high	98.4	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-72.8	-35.3	176.6	-71.2	168.3	0	0	0	113	A340 I341 F342 R346 N347 V350 Q351 L354 F437 L478 I482	A340-L344 WeakPolarHBondContact O-CB 3.37Å; A340-L344 WeakPolarHBondContact O-CD1 3.39Å; A340-L344 VanDerWaalsContact O-CG 3.23Å; A340-L344 WeakPolarHBondContact O-CG 3.29Å; A340-L344 PolarHBondContact O-N 3.12Å; I341-L344 PolarHBondContact O-N 2.81Å; F342-L344 VanDerWaalsContact C-N 3.28Å; F342-L344 PolarHBondContact O-N 3.26Å; L344-R346 VanDerWaalsContact C-N 3.31Å; L344-N347 CarbonylContact O-C 3.52Å; L344-N347 PolarHBondContact O-N 2.91Å; L344-V350 HydrophobicContact CD2-CG1 4.02Å; L344-Q351 HydrophobicContact CB-CG 4.39Å; L344-Q351 HydrophobicContact CD2-CB 4.47Å; L344-Q351 PolarHBondContact O-NE2 2.95Å; L344-Q351 VanDerWaalsContact O-NE2 3.1Å; L344-L354 HydrophobicContact CD1-CD2 4.01Å; L344-L354 HydrophobicContact CD2-CD2 4.05Å; L344-F437 HydrophobicContact CD2-CE1 4.21Å; L344-L478 HydrophobicContact CD1-CD2 3.66Å; L344-I482 HydrophobicContact CD1-CD1 4.09Å; L344-I482 HydrophobicContact CD1-CG1 4.43Å
345	S	98.3	Very high	98.4	Very high	4 Å²	4	30.9 Å²	30.9	3%	0.028	16%	0.161	C	C	.	.	H	α-helix	trans	-66.4	-35.7	176.4	80.1	0	0	0	0	112	I341 F342 N347 V511	I341-S345 PolarHBondContact O-N 3.27Å; F342-S345 PolarHBondContact O-N 2.96Å; F342-S345 PolarHBondContact O-OG 3.33Å; S345-N347 VanDerWaalsContact C-N 3.27Å; S345-N347 PolarHBondContact O-N 3.47Å; S345-V511 VanDerWaalsContact OG-CG1 3.31Å; S345-V511 WeakPolarHBondContact OG-CG1 3.42Å
346	R	97.9	Very high	98.5	Very high	71 Å²	71	36 Å²	36	27%	0.268	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-11.6	175.4	-67.1	-64.1	-175.1	-163.1	-2.7	114	F342 L344 D491 E493	F342-R346 HydrophobicContact CD2-CG 4.34Å; F342-R346 HydrophobicContact CE1-CG 4.2Å; F342-R346 HydrophobicContact CE2-CG 3.95Å; F342-R346 HydrophobicContact CZ-CG 3.87Å; F342-R346 WeakPolarHBondContact O-CG 3.33Å; F342-R346 PolarHBondContact O-N 3.33Å; F342-R346 VanDerWaalsContact O-N 3.1Å; L344-R346 VanDerWaalsContact C-N 3.31Å; R346-D491 PolarHBondContact NH1-O 2.95Å; R346-D491 PolarHBondContact NH2-O 3.43Å; R346-D491 IonicContact NH2-OD1 3.42Å; R346-D491 PolarHBondContact NH2-OD1 2.89Å; R346-E493 PolarHBondContact NH2-O 2.8Å
347	N	98.4	Very high	98.5	Very high	46 Å²	46	36.4 Å²	36.4	25%	0.246	19%	0.185	C	C	.	.			trans	-132.7	73.4	-175.1	-65.2	-88.2	0	0	0	111.9	N343 L344 S345 C349 V350 Q351 F437	N343-N347 WeakPolarHBondContact O-CB 3.41Å; N343-N347 PolarHBondContact O-N 2.75Å; N343-N347 PolarHBondContact O-ND2 3.42Å; L344-N347 CarbonylContact O-C 3.52Å; L344-N347 PolarHBondContact O-N 2.91Å; S345-N347 VanDerWaalsContact C-N 3.27Å; S345-N347 PolarHBondContact O-N 3.47Å; N347-C349 VanDerWaalsContact C-N 3.29Å; N347-C349 PolarHBondContact O-N 3.39Å; N347-V350 HydrophobicContact CB-CB 3.95Å; N347-V350 HydrophobicContact CB-CG2 4.04Å; N347-V350 WeakPolarHBondContact O-CB 3.45Å; N347-V350 PolarHBondContact O-N 3.34Å; N347-Q351 PolarHBondContact O-N 3.28Å; N347-F437 HydrophobicContact CB-CD1 4.1Å; N347-F437 WeakPolarHBondContact ND2-CB 3.29Å
348	P	98	Very high	98.4	Very high	84 Å²	84	36.4 Å²	36.4	55%	0.545	19%	0.185	S	C	.	.	H	α-helix	trans	-57.6	-36.6	-175.3	-26.1	34.6	0	0	0	114.2	V350 Q351 K352	P348-V350 VanDerWaalsContact C-N 3.33Å; P348-V350 PolarHBondContact O-N 3.38Å; P348-Q351 PolarHBondContact O-N 2.88Å; P348-K352 WeakPolarHBondContact O-CB 3.14Å; P348-K352 PolarHBondContact O-N 3.13Å
349	C	98.3	Very high	98.3	Very high	113 Å²	113	43.7 Å²	43.7	76%	0.764	21%	0.213	S	C	*	.	H	α-helix	trans	-62.3	-41	176.8	-67.9	0	0	0	0	112.1	N347 K353	N347-C349 VanDerWaalsContact C-N 3.29Å; N347-C349 PolarHBondContact O-N 3.39Å; C349-K353 PolarHBondContact O-N 3.25Å; C349-K353 VanDerWaalsContact O-N 3.13Å
350	V	98.6	Very high	98.3	Very high	14 Å²	14	50 Å²	50	9%	0.085	24%	0.242	C	C	.	.	H	α-helix	trans	-68	-43	177.2	170.6	0	0	0	0	110.4	L344 N347 P348 K352 K353 L354 Y378 F437 P439	L344-V350 HydrophobicContact CD2-CG1 4.02Å; N347-V350 HydrophobicContact CB-CB 3.95Å; N347-V350 HydrophobicContact CB-CG2 4.04Å; N347-V350 WeakPolarHBondContact O-CB 3.45Å; N347-V350 PolarHBondContact O-N 3.34Å; P348-V350 VanDerWaalsContact C-N 3.33Å; P348-V350 PolarHBondContact O-N 3.38Å; V350-K352 PolarHBondContact O-N 3.43Å; V350-K353 PolarHBondContact O-N 3.47Å; V350-L354 PolarHBondContact O-N 2.75Å; V350-Y378 HydrophobicContact CG1-CE1 4.19Å; V350-Y378 WeakPolarHBondContact CG1-OH 3.37Å; V350-F437 HydrophobicContact CB-CD1 4.49Å; V350-F437 HydrophobicContact CB-CE1 4.42Å; V350-F437 HydrophobicContact CG1-CD1 4.08Å; V350-F437 HydrophobicContact CG1-CE1 3.6Å; V350-F437 HydrophobicContact CG2-CD1 4.38Å; V350-P439 HydrophobicContact CG1-CG 3.64Å
351	Q	98.8	Very high	98.2	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.019	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-42.3	176.8	-160.8	-172.7	140.7	0	0	112.2	L344 N347 P348 K353 L354 L355 I482 I487	L344-Q351 HydrophobicContact CB-CG 4.39Å; L344-Q351 HydrophobicContact CD2-CB 4.47Å; L344-Q351 PolarHBondContact O-NE2 2.95Å; L344-Q351 VanDerWaalsContact O-NE2 3.1Å; N347-Q351 PolarHBondContact O-N 3.28Å; P348-Q351 PolarHBondContact O-N 2.88Å; Q351-K353 PolarHBondContact O-N 2.98Å; Q351-L354 WeakPolarHBondContact O-CB 3.05Å; Q351-L354 PolarHBondContact O-N 2.89Å; Q351-L355 PolarHBondContact O-N 2.79Å; Q351-I482 HydrophobicContact CG-CD1 3.86Å; Q351-I487 PolarHBondContact NE2-O 2.81Å
352	K	98.6	Very high	98	Very high	156 Å²	156	50.9 Å²	50.9	68%	0.678	25%	0.248	S	C	*	.	H	α-helix	trans	-61.8	-43	175.9	-176.2	177	178.8	178.4	0	112.1	P348 V350 L355 Q356	P348-K352 WeakPolarHBondContact O-CB 3.14Å; P348-K352 PolarHBondContact O-N 3.13Å; V350-K352 PolarHBondContact O-N 3.43Å; K352-L355 PolarHBondContact O-N 3.35Å; K352-Q356 PolarHBondContact O-N 3Å
353	K	98.5	Very high	97.5	Very high	81 Å²	81	52.7 Å²	52.7	35%	0.352	26%	0.261	S	S	.	.	H	α-helix	trans	-65.8	-38	176.4	-176.8	169.4	168.5	-172.3	0	112.1	C349 V350 Q351 Q356 E357 Y378 E440	C349-K353 PolarHBondContact O-N 3.25Å; C349-K353 VanDerWaalsContact O-N 3.13Å; V350-K353 PolarHBondContact O-N 3.47Å; Q351-K353 PolarHBondContact O-N 2.98Å; K353-Q356 PolarHBondContact O-N 2.82Å; K353-E357 PolarHBondContact O-N 2.61Å; K353-E357 VanDerWaalsContact O-N 3.08Å; K353-Y378 HydrophobicContact CB-CE1 3.83Å; K353-Y378 HydrophobicContact CD-CD2 4.5Å; K353-Y378 HydrophobicContact CD-CE1 4.05Å; K353-Y378 HydrophobicContact CD-CE2 3.83Å; K353-Y378 VanDerWaalsContact CE-CE2 3.47Å; K353-Y378 HydrophobicContact CG-CD1 4.12Å; K353-Y378 HydrophobicContact CG-CE1 3.7Å; K353-Y378 HydrophobicContact CG-CE2 4.29Å; K353-E440 IonicContact NZ-OE1 3.48Å; K353-E440 PolarHBondContact NZ-OE1 2.82Å
354	L	98.6	Very high	96.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-45	172.9	177	58.1	0	0	0	111.9	L344 V350 Q351 Q356 E357 I358 Y378 I379 I482	L344-L354 HydrophobicContact CD1-CD2 4.01Å; L344-L354 HydrophobicContact CD2-CD2 4.05Å; V350-L354 PolarHBondContact O-N 2.75Å; Q351-L354 WeakPolarHBondContact O-CB 3.05Å; Q351-L354 PolarHBondContact O-N 2.89Å; L354-Q356 VanDerWaalsContact C-N 3.29Å; L354-Q356 PolarHBondContact O-N 3.28Å; L354-E357 PolarHBondContact O-N 2.91Å; L354-I358 HydrophobicContact CD1-CD1 4.09Å; L354-I358 HydrophobicContact CD1-CG1 4.37Å; L354-I358 HydrophobicContact CG-CD1 3.98Å; L354-I358 WeakPolarHBondContact O-CG1 3.22Å; L354-I358 PolarHBondContact O-N 3Å; L354-Y378 HydrophobicContact CB-CD1 4.01Å; L354-Y378 HydrophobicContact CB-CE1 4.09Å; L354-Y378 HydrophobicContact CD1-CD1 4.31Å; L354-I379 HydrophobicContact CD1-CB 3.57Å; L354-I379 HydrophobicContact CD1-CD1 4.29Å; L354-I379 HydrophobicContact CD1-CG1 3.8Å; L354-I482 HydrophobicContact CD2-CG1 4.02Å; L354-I482 HydrophobicContact CD2-CG2 4.48Å; L354-I482 HydrophobicContact CG-CG2 4.28Å
355	L	98.5	Very high	95.9	Very high	13 Å²	13	62.1 Å²	62.1	7%	0.068	34%	0.335	C	S	.	.	H	α-helix	trans	-59.3	-40.8	174.7	176.2	61.2	0	0	0	111.9	Q351 K352 I358 R359 I482	Q351-L355 PolarHBondContact O-N 2.79Å; K352-L355 PolarHBondContact O-N 3.35Å; L355-I358 PolarHBondContact O-N 3.43Å; L355-R359 HydrophobicContact CD1-CG 4.19Å; L355-R359 WeakPolarHBondContact O-CG 3.32Å; L355-R359 PolarHBondContact O-N 2.81Å; L355-I482 HydrophobicContact CB-CG2 3.97Å; L355-I482 HydrophobicContact CD1-CG2 4.34Å; L355-I482 WeakPolarHBondContact CD1-O 3.41Å
356	Q	98.3	Very high	95.6	Very high	108 Å²	108	66 Å²	66	51%	0.505	35%	0.352	S	S	.	.	H	α-helix	trans	-60.1	-50.7	176	-179.5	179.4	-10.6	0	0	111.4	K352 K353 L354 I358 R359 E360	K352-Q356 PolarHBondContact O-N 3Å; K353-Q356 PolarHBondContact O-N 2.82Å; L354-Q356 VanDerWaalsContact C-N 3.29Å; L354-Q356 PolarHBondContact O-N 3.28Å; Q356-I358 VanDerWaalsContact C-N 3.28Å; Q356-I358 PolarHBondContact O-N 3.14Å; Q356-R359 PolarHBondContact O-N 3.05Å; Q356-E360 HydrophobicContact CG-CG 4.48Å; Q356-E360 VanDerWaalsContact CG-OE1 3.26Å; Q356-E360 WeakPolarHBondContact CG-OE1 3.23Å; Q356-E360 PolarHBondContact NE2-OE1 3.15Å; Q356-E360 WeakPolarHBondContact O-CG 3.16Å; Q356-E360 PolarHBondContact O-N 3.13Å
357	E	98.4	Very high	95.5	Very high	22 Å²	22	66.2 Å²	66.2	10%	0.103	36%	0.362	C	S	.	.	H	α-helix	trans	-56.5	-43.3	176.1	177.1	179.1	-102.5	0	0	111.7	K353 L354 R359 E360 V361 M376 P377 Y378 I379	K353-E357 PolarHBondContact O-N 2.61Å; K353-E357 VanDerWaalsContact O-N 3.08Å; L354-E357 PolarHBondContact O-N 2.91Å; E357-R359 PolarHBondContact O-N 3Å; E357-E360 PolarHBondContact O-N 2.96Å; E357-V361 WeakPolarHBondContact O-CG2 3.1Å; E357-V361 PolarHBondContact O-N 3.48Å; E357-M376 VanDerWaalsContact CD-CA 3.44Å; E357-M376 HydrophobicContact CG-CB 4.19Å; E357-M376 HydrophobicContact CG-CG 4.19Å; E357-M376 WeakPolarHBondContact OE2-CA 3.3Å; E357-M376 WeakPolarHBondContact OE2-CB 3.33Å; E357-P377 WeakPolarHBondContact OE1-CD 3.32Å; E357-P377 WeakPolarHBondContact OE1-CG 3.3Å; E357-P377 VanDerWaalsContact OE1-N 3.16Å; E357-Y378 VanDerWaalsContact CD-N 3.34Å; E357-Y378 WeakPolarHBondContact OE1-CA 3.16Å; E357-Y378 WeakPolarHBondContact OE1-CB 3.39Å; E357-Y378 PolarHBondContact OE1-N 3.45Å; E357-Y378 WeakPolarHBondContact OE2-CA 3.38Å; E357-Y378 VanDerWaalsContact OE2-CB 3.32Å; E357-Y378 WeakPolarHBondContact OE2-CB 3.17Å; E357-Y378 PolarHBondContact OE2-N 3.29Å; E357-Y378 VanDerWaalsContact OE2-N 3.14Å; E357-I379 PolarHBondContact OE2-N 3.27Å
358	I	98.1	Very high	95.4	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-60.5	-47.7	178.7	-69.9	163.7	0	0	0	110.5	L354 L355 Q356 E360 V361 L362 I482 R483	L354-I358 HydrophobicContact CD1-CD1 4.09Å; L354-I358 HydrophobicContact CD1-CG1 4.37Å; L354-I358 HydrophobicContact CG-CD1 3.98Å; L354-I358 WeakPolarHBondContact O-CG1 3.22Å; L354-I358 PolarHBondContact O-N 3Å; L355-I358 PolarHBondContact O-N 3.43Å; Q356-I358 VanDerWaalsContact C-N 3.28Å; Q356-I358 PolarHBondContact O-N 3.14Å; I358-E360 VanDerWaalsContact C-N 3.34Å; I358-E360 PolarHBondContact O-N 2.95Å; I358-V361 PolarHBondContact O-N 3.47Å; I358-L362 WeakPolarHBondContact O-CA 3.3Å; I358-L362 VanDerWaalsContact O-CB 3.3Å; I358-L362 WeakPolarHBondContact O-CB 3.48Å; I358-L362 PolarHBondContact O-N 2.89Å; I358-I482 HydrophobicContact CD1-CB 3.86Å; I358-I482 HydrophobicContact CD1-CG2 3.8Å; I358-R483 HydrophobicContact CG2-CB 4.27Å
359	R	96.7	Very high	95.3	Very high	156 Å²	156	61.2 Å²	61.2	59%	0.589	33%	0.332	S	S	*	.	H	α-helix	trans	-65.9	-33.6	-179.3	-74.2	177.2	173.3	177.8	-2.2	113.2	L355 Q356 E357	L355-R359 HydrophobicContact CD1-CG 4.19Å; L355-R359 WeakPolarHBondContact O-CG 3.32Å; L355-R359 PolarHBondContact O-N 2.81Å; Q356-R359 PolarHBondContact O-N 3.05Å; E357-R359 PolarHBondContact O-N 3Å
360	E	96.8	Very high	95.2	Very high	136 Å²	136	56.4 Å²	56.4	64%	0.636	30%	0.301	S	S	*	.	H	α-helix	trans	-68.7	-35.8	177.3	-74	172.3	-172.7	0	0	112.2	Q356 E357 I358	Q356-E360 HydrophobicContact CG-CG 4.48Å; Q356-E360 VanDerWaalsContact CG-OE1 3.26Å; Q356-E360 WeakPolarHBondContact CG-OE1 3.23Å; Q356-E360 PolarHBondContact NE2-OE1 3.15Å; Q356-E360 WeakPolarHBondContact O-CG 3.16Å; Q356-E360 PolarHBondContact O-N 3.13Å; E357-E360 PolarHBondContact O-N 2.96Å; I358-E360 VanDerWaalsContact C-N 3.34Å; I358-E360 PolarHBondContact O-N 2.95Å
361	V	97.2	Very high	95.1	Very high	19 Å²	19	63.2 Å²	63.2	12%	0.115	33%	0.329	C	S	.	.	H	α-helix	trans	-93.7	-31.9	-175.4	177.5	0	0	0	0	113	E357 I358 H372 R375 M376	E357-V361 WeakPolarHBondContact O-CG2 3.1Å; E357-V361 PolarHBondContact O-N 3.48Å; I358-V361 PolarHBondContact O-N 3.47Å; V361-H372 HydrophobicContact CG1-CB 4.2Å; V361-H372 WeakPolarHBondContact CG1-O 3.48Å; V361-R375 HydrophobicContact CG1-CB 3.91Å; V361-R375 HydrophobicContact CG2-CB 4.05Å; V361-R375 PolarHBondContact O-NH2 2.89Å; V361-M376 HydrophobicContact CB-CE 3.63Å; V361-M376 HydrophobicContact CB-CG 4.05Å; V361-M376 HydrophobicContact CG1-CE 3.6Å; V361-M376 HydrophobicContact CG1-CG 4.01Å; V361-M376 HydrophobicContact CG2-CG 4Å
362	L	94.2	Very high	95	Very high	4 Å²	4	64.2 Å²	64.2	2%	0.021	33%	0.334	C	S	.	.	S	Bend	trans	-121	104.7	-172.1	-172.5	73.3	0	0	0	110.7	I358 Q366 P368 H372 M376	I358-L362 WeakPolarHBondContact O-CA 3.3Å; I358-L362 VanDerWaalsContact O-CB 3.3Å; I358-L362 WeakPolarHBondContact O-CB 3.48Å; I358-L362 PolarHBondContact O-N 2.89Å; L362-Q366 HydrophobicContact CD1-CB 3.78Å; L362-P368 HydrophobicContact CD2-CB 4.29Å; L362-P368 HydrophobicContact CD2-CG 3.65Å; L362-H372 VanDerWaalsContact CD1-ND1 3.34Å; L362-H372 WeakPolarHBondContact CD1-ND1 3.47Å; L362-M376 HydrophobicContact CB-CE 4.02Å
363	P	88.1	Confident	94.9	Very high	61 Å²	61	57 Å²	57	40%	0.396	30%	0.303	S	S	.	.			trans	-57.6	148.3	170.5	-22.3	33.3	0	0	0	111.4	S365 Q366	P363-S365 PolarHBondContact O-N 3.25Å; P363-Q366 HydrophobicContact CB-CG 4.37Å; P363-Q366 HydrophobicContact CG-CG 4.46Å; P363-Q366 PolarHBondContact O-N 3.49Å
364	A	82.1	Confident	94.8	Very high	98 Å²	98	59.9 Å²	59.9	81%	0.81	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.3	-173.8	0	0	0	0	0	114.5	Q366	A364-Q366 VanDerWaalsContact C-N 3.34Å
365	S	81.9	Confident	94.7	Very high	114 Å²	114	67 Å²	67	80%	0.797	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-3.1	-179.5	56.7	0	0	0	0	114.8	P363	P363-S365 PolarHBondContact O-N 3.25Å
366	Q	91.7	Very high	94.6	Very high	84 Å²	84	66.4 Å²	66.4	39%	0.393	34%	0.341	S	S	.	.	S	Bend	trans	-105.9	143.1	-173.4	-66.5	-171.7	11.5	0	0	113.2	L362 P363 A364 R483	L362-Q366 HydrophobicContact CD1-CB 3.78Å; P363-Q366 HydrophobicContact CB-CG 4.37Å; P363-Q366 HydrophobicContact CG-CG 4.46Å; P363-Q366 PolarHBondContact O-N 3.49Å; A364-Q366 VanDerWaalsContact C-N 3.34Å; Q366-R483 PolarHBondContact O-NH1 3.48Å
367	T	95.1	Very high	94.6	Very high	77 Å²	77	64.7 Å²	64.7	47%	0.472	34%	0.339	S	S	.	.			trans	-75.1	134.8	170.1	-57.8	0	0	0	0	110.3	N181 H372 W480	N181-T367 HydrophobicContact CB-CG2 3.92Å; T367-H372 PolarHBondContact O-ND1 3.22Å; T367-W480 HydrophobicContact CG2-CZ2 3.84Å
368	P	96.1	Very high	94.6	Very high	2 Å²	2	64 Å²	64	1%	0.013	34%	0.336	C	S	.	.			trans	-53.1	145.5	171.8	-25.4	34	0	0	0	111.7	N181 L362 L476 C479 W480	N181-P368 PolarHBondContact ND2-O 2.9Å; N181-P368 PolarHBondContact OD1-O 3.26Å; L362-P368 HydrophobicContact CD2-CB 4.29Å; L362-P368 HydrophobicContact CD2-CG 3.65Å; P368-L476 HydrophobicContact CB-CD2 3.75Å; P368-C479 HydrophobicContact CB-CB 4.27Å; P368-C479 HydrophobicContact CG-CB 4.24Å; P368-W480 HydrophobicContact CG-CD2 4.49Å; P368-W480 HydrophobicContact CG-CG 4.21Å
369	S	96.8	Very high	94.6	Very high	22 Å²	22	63.9 Å²	63.9	15%	0.154	34%	0.335	C	S	.	.			trans	-141.4	162.6	178.7	70.6	0	0	0	0	110.7	D177 K371 H372 L373	D177-S369 WeakPolarHBondContact OD2-CA 3.45Å; D177-S369 WeakPolarHBondContact OD2-CB 3.29Å; S369-K371 PolarHBondContact O-N 3.39Å; S369-K371 PolarHBondContact OG-N 3.45Å; S369-H372 PolarHBondContact N-ND1 3.01Å; S369-H372 WeakPolarHBondContact O-CB 3.35Å; S369-H372 PolarHBondContact O-N 3.4Å; S369-H372 PolarHBondContact OG-CE1 3.08Å; S369-H372 VanDerWaalsContact OG-CG 3.24Å; S369-H372 PolarHBondContact OG-N 2.96Å; S369-H372 VanDerWaalsContact OG-N 3.16Å; S369-H372 PolarHBondContact OG-ND1 3.3Å; S369-L373 WeakPolarHBondContact O-CG 3.49Å; S369-L373 PolarHBondContact O-N 3.45Å; S369-L373 VanDerWaalsContact O-N 3.13Å
370	A	96.4	Very high	94.7	Very high	13 Å²	13	59.7 Å²	59.7	11%	0.107	32%	0.321	C	S	.	.	H	α-helix	trans	-57.1	-31.9	173.9	0	0	0	0	0	111.9	A174 D177 Q374 L472	A174-A370 HydrophobicContact CB-CB 3.66Å; D177-A370 HydrophobicContact CB-CB 4.27Å; D177-A370 PolarHBondContact OD2-N 3.41Å; A370-Q374 PolarHBondContact O-N 2.73Å; A370-L472 HydrophobicContact CB-CD1 4.04Å
371	K	96.1	Very high	94.8	Very high	157 Å²	157	53.4 Å²	53.4	68%	0.683	29%	0.292	S	S	*	.	H	α-helix	trans	-68.8	-40.7	175.7	-172.6	179.7	179.6	-178	0	111.9	S369 L373 Q374	S369-K371 PolarHBondContact O-N 3.39Å; S369-K371 PolarHBondContact OG-N 3.45Å; K371-L373 VanDerWaalsContact C-N 3.35Å; K371-Q374 WeakPolarHBondContact O-CB 3.22Å; K371-Q374 PolarHBondContact O-N 3.46Å
372	H	97.3	Very high	94.8	Very high	24 Å²	24	52.5 Å²	52.5	11%	0.111	29%	0.287	C	S	.	.	H	α-helix	trans	-61	-45.3	175.5	-62	144.4	0	0	0	111.1	V361 L362 T367 S369 Q374 R375 M376	V361-H372 HydrophobicContact CG1-CB 4.2Å; V361-H372 WeakPolarHBondContact CG1-O 3.48Å; L362-H372 VanDerWaalsContact CD1-ND1 3.34Å; L362-H372 WeakPolarHBondContact CD1-ND1 3.47Å; T367-H372 PolarHBondContact O-ND1 3.22Å; S369-H372 PolarHBondContact N-ND1 3.01Å; S369-H372 WeakPolarHBondContact O-CB 3.35Å; S369-H372 PolarHBondContact O-N 3.4Å; S369-H372 PolarHBondContact OG-CE1 3.08Å; S369-H372 VanDerWaalsContact OG-CG 3.24Å; S369-H372 PolarHBondContact OG-N 2.96Å; S369-H372 VanDerWaalsContact OG-N 3.16Å; S369-H372 PolarHBondContact OG-ND1 3.3Å; H372-Q374 PolarHBondContact O-N 2.65Å; H372-Q374 VanDerWaalsContact O-N 3.09Å; H372-R375 PolarHBondContact O-N 3.05Å; H372-M376 HydrophobicContact CB-CE 4.22Å
373	L	96.8	Very high	95.1	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-60.4	-22	179.2	-65.2	177.6	0	0	0	114	S369 K371 R375 M376 I379 K380 L472 Q475 L476	S369-L373 WeakPolarHBondContact O-CG 3.49Å; S369-L373 PolarHBondContact O-N 3.45Å; S369-L373 VanDerWaalsContact O-N 3.13Å; K371-L373 VanDerWaalsContact C-N 3.35Å; L373-R375 PolarHBondContact O-N 2.89Å; L373-M376 HydrophobicContact CD2-SD 3.81Å; L373-M376 PolarHBondContact O-N 3.41Å; L373-I379 HydrophobicContact CD2-CG2 4.34Å; L373-K380 WeakPolarHBondContact O-CE 3.25Å; L373-K380 PolarHBondContact O-NZ 3.3Å; L373-L472 HydrophobicContact CD1-CD1 3.72Å; L373-Q475 HydrophobicContact CD1-CB 3.55Å; L373-Q475 HydrophobicContact CD2-CB 3.82Å; L373-Q475 HydrophobicContact CG-CB 4.28Å; L373-L476 HydrophobicContact CD1-CD2 3.74Å; L373-L476 HydrophobicContact CD1-CG 3.87Å; L373-L476 HydrophobicContact CG-CD2 4.23Å
374	Q	95.3	Very high	95.5	Very high	142 Å²	142	53.5 Å²	53.5	66%	0.664	29%	0.285	S	S	*	.	H	α-helix	trans	-62.1	-30.1	173.8	-66.3	179.3	8.1	0	0	112.2	A370 K371 H372	A370-Q374 PolarHBondContact O-N 2.73Å; K371-Q374 WeakPolarHBondContact O-CB 3.22Å; K371-Q374 PolarHBondContact O-N 3.46Å; H372-Q374 PolarHBondContact O-N 2.65Å; H372-Q374 VanDerWaalsContact O-N 3.09Å
375	R	96.8	Very high	96.3	Very high	150 Å²	150	48.9 Å²	48.9	57%	0.566	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	6	-179.2	-58	-176.9	-63.2	179.2	6.1	113.7	V361 H372 L373 P377	V361-R375 HydrophobicContact CG1-CB 3.91Å; V361-R375 HydrophobicContact CG2-CB 4.05Å; V361-R375 PolarHBondContact O-NH2 2.89Å; H372-R375 PolarHBondContact O-N 3.05Å; L373-R375 PolarHBondContact O-N 2.89Å; R375-P377 VanDerWaalsContact C-CD 3.41Å; R375-P377 WeakPolarHBondContact O-CD 3.28Å
376	M	97.6	Very high	97.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.209	C	C	.	.			trans	-112.6	78.9	178.8	-62.1	175.4	179.7	0	0	109.8	E357 V361 L362 H372 L373 I379	E357-M376 VanDerWaalsContact CD-CA 3.44Å; E357-M376 HydrophobicContact CG-CB 4.19Å; E357-M376 HydrophobicContact CG-CG 4.19Å; E357-M376 WeakPolarHBondContact OE2-CA 3.3Å; E357-M376 WeakPolarHBondContact OE2-CB 3.33Å; V361-M376 HydrophobicContact CB-CE 3.63Å; V361-M376 HydrophobicContact CB-CG 4.05Å; V361-M376 HydrophobicContact CG1-CE 3.6Å; V361-M376 HydrophobicContact CG1-CG 4.01Å; V361-M376 HydrophobicContact CG2-CG 4Å; L362-M376 HydrophobicContact CB-CE 4.02Å; H372-M376 HydrophobicContact CB-CE 4.22Å; L373-M376 HydrophobicContact CD2-SD 3.81Å; L373-M376 PolarHBondContact O-N 3.41Å; M376-I379 HydrophobicContact CB-CB 4.46Å; M376-I379 HydrophobicContact CB-CG2 3.59Å; M376-I379 WeakPolarHBondContact O-CG2 3.33Å
377	P	97.5	Very high	97.4	Very high	71 Å²	71	40.5 Å²	40.5	46%	0.461	20%	0.196	S	C	.	.	H	α-helix	trans	-68.6	-31.3	176.4	26.9	-35.8	0	0	0	113.7	E357 R375 K380 A381 L443	E357-P377 WeakPolarHBondContact OE1-CD 3.32Å; E357-P377 WeakPolarHBondContact OE1-CG 3.3Å; E357-P377 VanDerWaalsContact OE1-N 3.16Å; R375-P377 VanDerWaalsContact C-CD 3.41Å; R375-P377 WeakPolarHBondContact O-CD 3.28Å; P377-K380 WeakPolarHBondContact O-CB 3.25Å; P377-K380 PolarHBondContact O-N 3.36Å; P377-A381 PolarHBondContact O-N 3.38Å; P377-L443 HydrophobicContact CB-CD2 4.22Å
378	Y	98.4	Very high	97.6	Very high	7 Å²	7	37 Å²	37	3%	0.027	17%	0.174	C	C	.	.	H	α-helix	trans	-73.7	-36.5	-174.6	-164.7	-107.3	0	0	0	112.5	V350 K353 L354 E357 K380 A381 C382 P439 E440 L443	V350-Y378 HydrophobicContact CG1-CE1 4.19Å; V350-Y378 WeakPolarHBondContact CG1-OH 3.37Å; K353-Y378 HydrophobicContact CB-CE1 3.83Å; K353-Y378 HydrophobicContact CD-CD2 4.5Å; K353-Y378 HydrophobicContact CD-CE1 4.05Å; K353-Y378 HydrophobicContact CD-CE2 3.83Å; K353-Y378 VanDerWaalsContact CE-CE2 3.47Å; K353-Y378 HydrophobicContact CG-CD1 4.12Å; K353-Y378 HydrophobicContact CG-CE1 3.7Å; K353-Y378 HydrophobicContact CG-CE2 4.29Å; L354-Y378 HydrophobicContact CB-CD1 4.01Å; L354-Y378 HydrophobicContact CB-CE1 4.09Å; L354-Y378 HydrophobicContact CD1-CD1 4.31Å; E357-Y378 VanDerWaalsContact CD-N 3.34Å; E357-Y378 WeakPolarHBondContact OE1-CA 3.16Å; E357-Y378 WeakPolarHBondContact OE1-CB 3.39Å; E357-Y378 PolarHBondContact OE1-N 3.45Å; E357-Y378 WeakPolarHBondContact OE2-CA 3.38Å; E357-Y378 VanDerWaalsContact OE2-CB 3.32Å; E357-Y378 WeakPolarHBondContact OE2-CB 3.17Å; E357-Y378 PolarHBondContact OE2-N 3.29Å; E357-Y378 VanDerWaalsContact OE2-N 3.14Å; Y378-K380 VanDerWaalsContact C-N 3.27Å; Y378-K380 PolarHBondContact O-N 3.22Å; Y378-A381 CarbonylContact O-C 3.51Å; Y378-A381 WeakPolarHBondContact O-CB 3.4Å; Y378-A381 PolarHBondContact O-N 3.42Å; Y378-A381 VanDerWaalsContact O-N 3.14Å; Y378-C382 PolarHBondContact O-N 3.09Å; Y378-C382 PolarHBondContact O-SG 3.41Å; Y378-P439 HydrophobicContact CD2-CB 4.41Å; Y378-P439 HydrophobicContact CE2-CB 3.81Å; Y378-E440 WeakPolarHBondContact CE2-OE1 3.14Å; Y378-E440 PolarHBondContact OH-OE1 2.86Å; Y378-L443 HydrophobicContact CD2-CD1 4.1Å
379	I	98.5	Very high	97.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.1	-38.3	171.5	-161.9	166.9	0	0	0	112	L354 E357 L373 M376 C382 L383 Q475 L478 C479	L354-I379 HydrophobicContact CD1-CB 3.57Å; L354-I379 HydrophobicContact CD1-CD1 4.29Å; L354-I379 HydrophobicContact CD1-CG1 3.8Å; E357-I379 PolarHBondContact OE2-N 3.27Å; L373-I379 HydrophobicContact CD2-CG2 4.34Å; M376-I379 HydrophobicContact CB-CB 4.46Å; M376-I379 HydrophobicContact CB-CG2 3.59Å; M376-I379 WeakPolarHBondContact O-CG2 3.33Å; I379-C382 PolarHBondContact O-N 2.97Å; I379-L383 PolarHBondContact O-N 3.18Å; I379-L383 VanDerWaalsContact O-N 3.14Å; I379-Q475 VanDerWaalsContact CD1-O 3.23Å; I379-Q475 WeakPolarHBondContact CD1-O 3.3Å; I379-L478 HydrophobicContact CD1-CB 3.83Å; I379-L478 HydrophobicContact CG1-CB 4.14Å; I379-L478 HydrophobicContact CG1-CD1 4.25Å; I379-C479 HydrophobicContact CD1-CB 4.09Å
380	K	98.1	Very high	97.6	Very high	68 Å²	68	38.2 Å²	38.2	30%	0.296	18%	0.179	S	C	.	.	H	α-helix	trans	-67.5	-40.9	175.5	-61	174.5	-171.9	163.6	0	110.7	L373 P377 Y378 C382 L383 K384	L373-K380 WeakPolarHBondContact O-CE 3.25Å; L373-K380 PolarHBondContact O-NZ 3.3Å; P377-K380 WeakPolarHBondContact O-CB 3.25Å; P377-K380 PolarHBondContact O-N 3.36Å; Y378-K380 VanDerWaalsContact C-N 3.27Å; Y378-K380 PolarHBondContact O-N 3.22Å; K380-C382 VanDerWaalsContact C-N 3.35Å; K380-L383 PolarHBondContact O-N 3.46Å; K380-K384 WeakPolarHBondContact O-CG 3.18Å; K380-K384 PolarHBondContact O-N 3.02Å
381	A	98.4	Very high	97.6	Very high	3 Å²	3	37.8 Å²	37.8	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-62.2	-41.3	175.2	0	0	0	0	0	112	P377 Y378 L383 K384 E385 P439 W442 L443	P377-A381 PolarHBondContact O-N 3.38Å; Y378-A381 CarbonylContact O-C 3.51Å; Y378-A381 WeakPolarHBondContact O-CB 3.4Å; Y378-A381 PolarHBondContact O-N 3.42Å; Y378-A381 VanDerWaalsContact O-N 3.14Å; A381-L383 PolarHBondContact O-N 3.21Å; A381-K384 PolarHBondContact O-N 3.44Å; A381-E385 WeakPolarHBondContact O-CB 3.09Å; A381-E385 PolarHBondContact O-N 3.08Å; A381-P439 HydrophobicContact CB-CB 3.96Å; A381-P439 WeakPolarHBondContact CB-O 3.29Å; A381-W442 HydrophobicContact CB-CB 3.87Å; A381-L443 HydrophobicContact CB-CD2 4.05Å
382	C	98.8	Very high	97.5	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.007	15%	0.146	C	C	.	.	H	α-helix	trans	-61.3	-44.4	176.4	-67.9	0	0	0	0	111.6	Y378 I379 K380 E385 S386 F437 P439	Y378-C382 PolarHBondContact O-N 3.09Å; Y378-C382 PolarHBondContact O-SG 3.41Å; I379-C382 PolarHBondContact O-N 2.97Å; K380-C382 VanDerWaalsContact C-N 3.35Å; C382-E385 PolarHBondContact O-N 3.36Å; C382-S386 WeakPolarHBondContact O-CB 3.26Å; C382-S386 PolarHBondContact O-N 3.45Å; C382-F437 HydrophobicContact CB-CZ 4.39Å; C382-P439 HydrophobicContact CB-CG 4.35Å
383	L	98.6	Very high	97.5	Very high	8 Å²	8	32.3 Å²	32.3	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-66.8	-42.9	177.5	-74.9	172.5	0	0	0	112.8	A340 I379 K380 A381 E385 S386 M387 L474 Q475 L478	A340-L383 HydrophobicContact CB-CD2 4.1Å; I379-L383 PolarHBondContact O-N 3.18Å; I379-L383 VanDerWaalsContact O-N 3.14Å; K380-L383 PolarHBondContact O-N 3.46Å; A381-L383 PolarHBondContact O-N 3.21Å; L383-E385 VanDerWaalsContact C-N 3.3Å; L383-E385 PolarHBondContact O-N 3.15Å; L383-S386 PolarHBondContact O-N 3.19Å; L383-M387 WeakPolarHBondContact O-CG 3.49Å; L383-M387 PolarHBondContact O-N 3.27Å; L383-L474 HydrophobicContact CD1-CB 3.77Å; L383-L474 HydrophobicContact CD2-CB 3.96Å; L383-Q475 HydrophobicContact CD1-CB 4.32Å; L383-Q475 HydrophobicContact CD1-CG 3.4Å; L383-Q475 VanDerWaalsContact CD1-CG 3.4Å; L383-L478 HydrophobicContact CD1-CD1 4.2Å; L383-L478 HydrophobicContact CD2-CD1 3.45Å; L383-L478 VanDerWaalsContact CD2-CD1 3.45Å; L383-L478 HydrophobicContact CD2-CG 4.42Å; L383-L478 HydrophobicContact CG-CD1 3.64Å
384	K	98.3	Very high	97.4	Very high	78 Å²	78	32.3 Å²	32.3	34%	0.339	16%	0.157	S	C	.	.	H	α-helix	trans	-59.8	-42.8	174.7	-73.4	-179.2	70.1	-175.9	0	111.4	K380 A381 M387 R388 W442 H454	K380-K384 WeakPolarHBondContact O-CG 3.18Å; K380-K384 PolarHBondContact O-N 3.02Å; A381-K384 PolarHBondContact O-N 3.44Å; K384-M387 PolarHBondContact O-N 3.19Å; K384-R388 WeakPolarHBondContact O-CB 2.98Å; K384-R388 PolarHBondContact O-N 2.87Å; K384-W442 HydrophobicContact CB-CD2 3.95Å; K384-W442 HydrophobicContact CB-CG 4.08Å; K384-W442 HydrophobicContact CB-CZ2 4.28Å; K384-W442 HydrophobicContact CD-CD2 4.31Å; K384-W442 HydrophobicContact CD-CE3 4.33Å; K384-W442 HydrophobicContact CD-CG 4.45Å; K384-H454 PolarHBondContact O-CE1 3.07Å
385	E	98.5	Very high	97.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67	-39.6	177.9	-173	64.6	172	0	0	112.4	A381 C382 L383 R388 L389 F437 K438 P439 R441 W442	A381-E385 WeakPolarHBondContact O-CB 3.09Å; A381-E385 PolarHBondContact O-N 3.08Å; C382-E385 PolarHBondContact O-N 3.36Å; L383-E385 VanDerWaalsContact C-N 3.3Å; L383-E385 PolarHBondContact O-N 3.15Å; E385-R388 WeakPolarHBondContact O-CB 3.5Å; E385-R388 PolarHBondContact O-N 3.45Å; E385-R388 IonicContact OE1-CZ 2.8Å; E385-R388 IonicContact OE1-NE 3.48Å; E385-R388 PolarHBondContact OE1-NE 3.48Å; E385-R388 IonicContact OE1-NH2 2.86Å; E385-R388 PolarHBondContact OE1-NH2 2.77Å; E385-R388 IonicContact OE2-CZ 3.33Å; E385-R388 IonicContact OE2-NE 2.89Å; E385-R388 PolarHBondContact OE2-NE 2.91Å; E385-R388 IonicContact OE2-NH2 3.05Å; E385-L389 HydrophobicContact CG-CD1 4.26Å; E385-L389 PolarHBondContact O-N 3.46Å; E385-L389 VanDerWaalsContact O-N 3.1Å; E385-F437 HydrophobicContact CB-CD2 4.18Å; E385-F437 HydrophobicContact CB-CE2 3.83Å; E385-F437 HydrophobicContact CB-CZ 4.38Å; E385-F437 HydrophobicContact CG-CD2 3.5Å; E385-F437 HydrophobicContact CG-CE2 3.7Å; E385-F437 HydrophobicContact CG-CG 4.05Å; E385-F437 HydrophobicContact CG-CZ 4.44Å; E385-K438 PolarHBondContact OE1-N 2.88Å; E385-P439 HydrophobicContact CB-CG 4.37Å; E385-R441 VanDerWaalsContact CD-NE 3.29Å; E385-R441 IonicContact OE1-CZ 3.04Å; E385-R441 IonicContact OE1-NE 2.78Å; E385-R441 PolarHBondContact OE1-NE 3.3Å; E385-R441 IonicContact OE1-NH2 3.38Å; E385-R441 PolarHBondContact OE1-NH2 3.04Å; E385-R441 WeakPolarHBondContact OE2-CD 3.33Å; E385-R441 IonicContact OE2-CZ 2.59Å; E385-R441 IonicContact OE2-NE 2.73Å; E385-R441 PolarHBondContact OE2-NE 3.18Å; E385-R441 VanDerWaalsContact OE2-NE 3.08Å; E385-W442 PolarHBondContact OE2-NE1 2.96Å
386	S	98.6	Very high	97.4	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.014	11%	0.111	C	C	.	.	H	α-helix	trans	-61	-47.9	175.4	-172.2	0	0	0	0	110.8	W339 A340 N343 C382 L383 R388 L389 S390	W339-S386 PolarHBondContact O-OG 3.14Å; A340-S386 VanDerWaalsContact CA-OG 3.3Å; A340-S386 WeakPolarHBondContact CA-OG 3.49Å; A340-S386 PolarHBondContact N-OG 2.68Å; N343-S386 PolarHBondContact ND2-OG 3.28Å; N343-S386 VanDerWaalsContact ND2-OG 3.13Å; C382-S386 WeakPolarHBondContact O-CB 3.26Å; C382-S386 PolarHBondContact O-N 3.45Å; L383-S386 PolarHBondContact O-N 3.19Å; S386-R388 PolarHBondContact O-N 3.42Å; S386-L389 PolarHBondContact O-N 2.95Å; S386-S390 CarbonylContact O-C 3.57Å; S386-S390 WeakPolarHBondContact O-CA 3.43Å; S386-S390 PolarHBondContact O-N 3.48Å
387	M	98.5	Very high	97.4	Very high	21 Å²	21	21.5 Å²	21.5	10%	0.103	12%	0.115	C	C	.	.	H	α-helix	trans	-68.3	-20.4	177.6	-67.1	177.5	-171.8	0	0	113.6	L383 K384 P391 P456 F457 L474	L383-M387 WeakPolarHBondContact O-CG 3.49Å; L383-M387 PolarHBondContact O-N 3.27Å; K384-M387 PolarHBondContact O-N 3.19Å; M387-P391 WeakPolarHBondContact O-CA 3.32Å; M387-P391 VanDerWaalsContact O-CB 3.29Å; M387-P391 WeakPolarHBondContact O-CB 3.43Å; M387-P456 HydrophobicContact CB-CB 3.98Å; M387-P456 HydrophobicContact CB-CG 4.14Å; M387-P456 HydrophobicContact SD-CB 4.28Å; M387-P456 HydrophobicContact SD-CG 4.09Å; M387-F457 HydrophobicContact CE-CE2 4.13Å; M387-F457 HydrophobicContact CE-CZ 3.85Å; M387-F457 HydrophobicContact SD-CE2 3.67Å; M387-F457 HydrophobicContact SD-CZ 3.94Å; M387-L474 HydrophobicContact CE-CD1 3.47Å; M387-L474 VanDerWaalsContact CE-CD1 3.47Å
388	R	98	Very high	97.4	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.015	9%	0.094	C	C	.	.	H	α-helix	trans	-75.1	-46.8	174.1	-175.6	-162.9	61.6	76.7	-5.8	110.9	K384 E385 S386 G425 F431 S434 R436 W442	K384-R388 WeakPolarHBondContact O-CB 2.98Å; K384-R388 PolarHBondContact O-N 2.87Å; E385-R388 WeakPolarHBondContact O-CB 3.5Å; E385-R388 PolarHBondContact O-N 3.45Å; E385-R388 IonicContact OE1-CZ 2.8Å; E385-R388 IonicContact OE1-NE 3.48Å; E385-R388 PolarHBondContact OE1-NE 3.48Å; E385-R388 IonicContact OE1-NH2 2.86Å; E385-R388 PolarHBondContact OE1-NH2 2.77Å; E385-R388 IonicContact OE2-CZ 3.33Å; E385-R388 IonicContact OE2-NE 2.89Å; E385-R388 PolarHBondContact OE2-NE 2.91Å; E385-R388 IonicContact OE2-NH2 3.05Å; S386-R388 PolarHBondContact O-N 3.42Å; R388-G425 PolarHBondContact NH1-O 2.94Å; R388-F431 VanDerWaalsContact CD-CE1 3.5Å; R388-F431 HydrophobicContact CG-CD1 4.45Å; R388-F431 HydrophobicContact CG-CD2 4.48Å; R388-F431 HydrophobicContact CG-CE1 4.25Å; R388-F431 HydrophobicContact CG-CE2 4.29Å; R388-F431 HydrophobicContact CG-CZ 4.17Å; R388-S434 PolarHBondContact NH1-O 2.79Å; R388-S434 PolarHBondContact NH2-O 2.99Å; R388-R436 PolarHBondContact NH2-O 3.39Å; R388-R436 VanDerWaalsContact NH2-O 3.15Å; R388-W442 HydrophobicContact CB-CZ2 4.14Å; R388-W442 HydrophobicContact CG-CZ2 4.41Å
389	L	96.9	Very high	97.3	Very high	35 Å²	35	19.2 Å²	19.2	18%	0.183	10%	0.1	C	C	.	.	H	α-helix	trans	-77.5	-42.8	-177.3	-82.2	163.7	0	0	0	113	E385 S386 P391 S434 F437	E385-L389 HydrophobicContact CG-CD1 4.26Å; E385-L389 PolarHBondContact O-N 3.46Å; E385-L389 VanDerWaalsContact O-N 3.1Å; S386-L389 PolarHBondContact O-N 2.95Å; L389-P391 VanDerWaalsContact C-CD 3.49Å; L389-S434 WeakPolarHBondContact CD2-O 3.47Å; L389-F437 VanDerWaalsContact CD1-CA 3.49Å; L389-F437 HydrophobicContact CD1-CB 3.76Å; L389-F437 HydrophobicContact CD1-CD2 3.69Å; L389-F437 HydrophobicContact CD1-CG 4.23Å
390	S	95.6	Very high	97.2	Very high	14 Å²	14	19.7 Å²	19.7	10%	0.098	10%	0.103	C	C	.	.	S	Bend	trans	-133	65.7	-170.7	-48.2	0	0	0	0	109.3	S386 S392	S386-S390 CarbonylContact O-C 3.57Å; S386-S390 WeakPolarHBondContact O-CA 3.43Å; S386-S390 PolarHBondContact O-N 3.48Å; S390-S392 PolarHBondContact O-N 2.82Å
391	P	96.4	Very high	97.1	Very high	4 Å²	4	19.7 Å²	19.7	3%	0.026	11%	0.106	C	C	.	.			trans	-68.9	131.5	-177.7	26	-31.9	0	0	0	111.2	M387 L389 V393 H422 L503	M387-P391 WeakPolarHBondContact O-CA 3.32Å; M387-P391 VanDerWaalsContact O-CB 3.29Å; M387-P391 WeakPolarHBondContact O-CB 3.43Å; L389-P391 VanDerWaalsContact C-CD 3.49Å; P391-V393 PolarHBondContact O-N 2.95Å; P391-H422 HydrophobicContact CG-CB 3.72Å; P391-L503 HydrophobicContact CG-CD1 4.26Å; P391-L503 WeakPolarHBondContact O-CB 3.49Å; P391-L503 WeakPolarHBondContact O-CD1 3.48Å
392	S	95.8	Very high	96.9	Very high	9 Å²	9	24.1 Å²	24.1	6%	0.063	13%	0.125	C	C	.	.	S	Bend	trans	-57.7	-37.3	172.3	-55.7	0	0	0	0	112.5	T332 S336 S390 T502 L503	T332-S392 PolarHBondContact O-OG 3.12Å; S336-S392 WeakPolarHBondContact CA-OG 3.37Å; S336-S392 PolarHBondContact N-OG 3.37Å; S336-S392 PolarHBondContact OG-OG 3.25Å; S390-S392 PolarHBondContact O-N 2.82Å; S392-T502 CarbonylContact O-C 3.42Å; S392-T502 VanDerWaalsContact O-CA 3.26Å; S392-T502 WeakPolarHBondContact O-CA 3.27Å; S392-T502 WeakPolarHBondContact O-CB 3.41Å; S392-L503 PolarHBondContact O-N 3.23Å
393	V	96.2	Very high	96.8	Very high	57 Å²	57	29.4 Å²	29.4	35%	0.345	15%	0.153	S	C	.	.	S	Bend	trans	-116.2	114.5	177.7	179.1	0	0	0	0	109.1	P391 F395	P391-V393 PolarHBondContact O-N 2.95Å; V393-F395 VanDerWaalsContact CG1-O 3.26Å; V393-F395 WeakPolarHBondContact CG1-O 3.25Å
394	P	95.5	Very high	96.6	Very high	4 Å²	4	29.4 Å²	29.4	3%	0.026	15%	0.153	C	C	.	.			trans	-77.1	-24.9	-170.7	27.4	-32.4	0	0	0	114	H84 S421 H422 L503	H84-P394 HydrophobicContact CB-CB 4.1Å; P394-S421 PolarHBondContact O-N 2.7Å; P394-S421 PolarHBondContact O-OG 2.9Å; P394-S421 VanDerWaalsContact O-OG 3.1Å; P394-H422 HydrophobicContact CB-CB 4.09Å; P394-H422 PolarHBondContact O-N 3.32Å; P394-L503 HydrophobicContact CB-CD1 3.96Å; P394-L503 HydrophobicContact CB-CD2 4.09Å; P394-L503 HydrophobicContact CB-CG 3.96Å; P394-L503 HydrophobicContact CG-CD2 3.91Å; P394-L503 HydrophobicContact CG-CG 4.02Å
395	F	96.2	Very high	96.4	Very high	35 Å²	35	26.8 Å²	26.8	15%	0.154	14%	0.143	C	C	.	.			trans	-156.5	160.8	-178.8	47.8	-105.7	0	0	0	111.8	L87 V393 M418 I419 H499	L87-F395 HydrophobicContact CD1-CD1 3.59Å; L87-F395 HydrophobicContact CD1-CE1 3.77Å; V393-F395 VanDerWaalsContact CG1-O 3.26Å; V393-F395 WeakPolarHBondContact CG1-O 3.25Å; F395-M418 HydrophobicContact CD2-CE 3.31Å; F395-M418 HydrophobicContact CE2-CE 3.59Å; F395-M418 HydrophobicContact CG-CE 4.04Å; F395-I419 WeakPolarHBondContact CA-O 3.43Å; F395-I419 VanDerWaalsContact CB-O 3.27Å; F395-I419 WeakPolarHBondContact CB-O 3.39Å; F395-H499 AromaticContact CZ-CE1 3.61Å
396	T	96	Very high	96.1	Very high	17 Å²	17	26.8 Å²	26.8	10%	0.104	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	168.6	169.1	-166.3	0	0	0	0	110.3	R129 M418 I419	R129-T396 VanDerWaalsContact CZ-OG1 3.25Å; R129-T396 PolarHBondContact NH1-OG1 2.91Å; T396-M418 CarbonylContact O-C 3.59Å; T396-I419 HydrophobicContact CG2-CB 3.97Å; T396-I419 HydrophobicContact CG2-CD1 3.97Å; T396-I419 HydrophobicContact CG2-CG1 4.42Å; T396-I419 PolarHBondContact N-O 3.21Å; T396-I419 PolarHBondContact O-N 2.57Å
397	S	96.5	Very high	95.7	Very high	13 Å²	13	27.1 Å²	27.1	9%	0.091	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	160	-175.6	57.6	0	0	0	0	113.4	L130 L417	L130-S397 WeakPolarHBondContact CB-OG 3.28Å; L130-S397 PolarHBondContact N-OG 2.91Å; S397-L417 CarbonylContact C-O 3.51Å; S397-L417 WeakPolarHBondContact CA-O 3.2Å
398	R	97.3	Very high	95.4	Very high	6 Å²	6	29.1 Å²	29.1	2%	0.023	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	135.1	163.7	-73.2	-61	-174.6	-77.7	-3.8	110.3	L119 E123 Q128 V416 L417 I419 V459	L119-R398 HydrophobicContact CD2-CB 4.44Å; L119-R398 HydrophobicContact CD2-CG 4.16Å; E123-R398 IonicContact OE1-CZ 3.68Å; E123-R398 IonicContact OE1-NE 2.71Å; E123-R398 PolarHBondContact OE1-NE 2.95Å; E123-R398 IonicContact OE1-NH2 3.35Å; E123-R398 PolarHBondContact OE1-NH2 3.35Å; Q128-R398 CarbonylContact O-C 3.51Å; Q128-R398 VanDerWaalsContact O-CA 3.23Å; Q128-R398 WeakPolarHBondContact O-CA 3.46Å; Q128-R398 WeakPolarHBondContact O-CD 3.3Å; R398-V416 CarbonylContact O-C 3.53Å; R398-V416 WeakPolarHBondContact O-CA 3.43Å; R398-L417 HydrophobicContact CB-CB 4.32Å; R398-L417 PolarHBondContact N-O 3.09Å; R398-L417 PolarHBondContact O-N 3.44Å; R398-I419 HydrophobicContact CG-CD1 4.36Å; R398-V459 PolarHBondContact NH2-O 3.21Å
399	T	96.8	Very high	95.3	Very high	25 Å²	25	30.4 Å²	30.4	15%	0.153	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.3	165	-55.1	0	0	0	0	107.8	Q128 D401	Q128-T399 PolarHBondContact O-N 2.88Å; T399-D401 PolarHBondContact O-N 3.33Å
400	L	96.3	Very high	95.2	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.052	17%	0.169	C	C	.	.			trans	-69	129.7	179.7	-69.8	179.8	0	0	0	111	L119 T404 I411 G414 T415 L417	L119-L400 HydrophobicContact CD1-CD2 4.02Å; L400-T404 HydrophobicContact CD2-CG2 4.46Å; L400-I411 HydrophobicContact CD1-CB 3.86Å; L400-I411 HydrophobicContact CD1-CG2 3.48Å; L400-I411 VanDerWaalsContact CD1-CG2 3.48Å; L400-G414 PolarHBondContact O-N 3.15Å; L400-T415 PolarHBondContact N-O 3.27Å; L400-L417 HydrophobicContact CD1-CD1 4.15Å; L400-L417 HydrophobicContact CD1-CD2 4.42Å; L400-L417 HydrophobicContact CD1-CG 4.29Å; L400-L417 HydrophobicContact CD2-CD1 3.67Å; L400-L417 HydrophobicContact CD2-CG 4.33Å; L400-L417 HydrophobicContact CG-CD1 3.92Å; L400-L417 HydrophobicContact CG-CG 4.06Å
401	D	95.4	Very high	95.2	Very high	67 Å²	67	30.1 Å²	30.1	36%	0.358	17%	0.165	S	C	.	.	S	Bend	trans	-91.3	-9.1	178.3	67.5	-33.9	0	0	0	113.2	S124 T399 K413	S124-D401 WeakPolarHBondContact CB-OD2 3.23Å; S124-D401 PolarHBondContact OG-OD2 2.96Å; T399-D401 PolarHBondContact O-N 3.33Å; D401-K413 WeakPolarHBondContact O-CD 3.26Å; D401-K413 WeakPolarHBondContact O-CE 3.02Å; D401-K413 WeakPolarHBondContact O-CG 3.17Å
402	K	95.7	Very high	95.2	Very high	96 Å²	96	32.5 Å²	32.5	42%	0.417	18%	0.18	S	C	.	.	S	Bend	trans	-152.7	159.6	178.1	65.3	-168	174.1	-166.5	0	110.7	K122 T404	K122-K402 VanDerWaalsContact O-CE 3.25Å; K122-K402 WeakPolarHBondContact O-CE 3.46Å; K122-K402 PolarHBondContact O-NZ 2.68Å; K402-T404 PolarHBondContact O-N 3.46Å; K402-T404 PolarHBondContact O-OG1 3.37Å
403	D	95.9	Very high	95.3	Very high	113 Å²	113	38.8 Å²	38.8	60%	0.604	21%	0.206	S	C	*	.			trans	-57.5	130.6	171.8	-64.2	-3.5	0	0	0	109.8	I411 P412 K413	D403-I411 WeakPolarHBondContact CA-O 3.29Å; D403-P412 WeakPolarHBondContact OD1-CA 3.4Å; D403-K413 PolarHBondContact OD1-N 2.83Å
404	T	94.6	Very high	95.3	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.043	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	125.7	-169.8	-60.6	0	0	0	0	110.4	K122 L400 K402 L406 I411	K122-T404 HydrophobicContact CB-CG2 4.39Å; K122-T404 HydrophobicContact CD-CG2 3.81Å; L400-T404 HydrophobicContact CD2-CG2 4.46Å; K402-T404 PolarHBondContact O-N 3.46Å; K402-T404 PolarHBondContact O-OG1 3.37Å; T404-L406 HydrophobicContact CG2-CD2 4.18Å; T404-L406 HydrophobicContact CG2-CG 4.06Å; T404-I411 PolarHBondContact N-O 2.59Å; T404-I411 WeakPolarHBondContact O-CB 3.25Å; T404-I411 PolarHBondContact O-N 3.36Å
405	V	94.1	Very high	95.3	Very high	23 Å²	23	39 Å²	39	14%	0.139	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	121.2	169.8	179.3	0	0	0	0	110	T53 K122 Y409	T53-V405 HydrophobicContact CG2-CB 4.34Å; T53-V405 HydrophobicContact CG2-CG1 3.5Å; T53-V405 VanDerWaalsContact CG2-CG1 3.5Å; T53-V405 HydrophobicContact CG2-CG2 3.89Å; K122-V405 PolarHBondContact NZ-O 3.04Å; V405-Y409 CarbonylContact C-O 3.58Å; V405-Y409 VanDerWaalsContact CA-O 3.29Å; V405-Y409 WeakPolarHBondContact CA-O 3.49Å
406	L	93	Very high	95.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125	171.3	-69.3	-177	0	0	0	109.9	A118 L119 T404 D408 Y409 I411 L417	A118-L406 HydrophobicContact CB-CD2 3.88Å; L119-L406 HydrophobicContact CB-CD1 4.47Å; L119-L406 HydrophobicContact CB-CD2 4.22Å; T404-L406 HydrophobicContact CG2-CD2 4.18Å; T404-L406 HydrophobicContact CG2-CG 4.06Å; L406-D408 PolarHBondContact O-N 3.18Å; L406-Y409 PolarHBondContact N-O 3.07Å; L406-Y409 PolarHBondContact O-N 2.7Å; L406-Y409 VanDerWaalsContact O-N 3.12Å; L406-I411 HydrophobicContact CB-CD1 3.88Å; L406-I411 HydrophobicContact CD1-CD1 3.97Å; L406-I411 HydrophobicContact CG-CD1 4.19Å; L406-L417 HydrophobicContact CD1-CD1 3.55Å
407	G	90.2	Very high	95.4	Very high	9 Å²	9	37.4 Å²	37.4	9%	0.093	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	-121.6	-168.8	0	0	0	0	0	109.8	H47 S48	H47-G407 WeakPolarHBondContact CA-O 3.46Å; H47-G407 PolarHBondContact CE1-N 3Å; H47-G407 WeakPolarHBondContact ND1-CA 3.5Å; H47-G407 PolarHBondContact ND1-N 3.47Å; H47-G407 VanDerWaalsContact ND1-N 3.19Å; H47-G407 PolarHBondContact ND1-O 3.34Å; S48-G407 PolarHBondContact N-O 3.3Å
408	D	91.8	Very high	95.5	Very high	64 Å²	64	37.4 Å²	37.4	34%	0.342	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	10.2	178.3	-58.9	-43.7	0	0	0	113.2	S48 T53 Q54 L406	S48-D408 WeakPolarHBondContact CB-OD1 2.98Å; S48-D408 PolarHBondContact N-OD1 3.48Å; S48-D408 PolarHBondContact OG-OD1 3.32Å; T53-D408 CarbonylContact C-O 3.53Å; T53-D408 VanDerWaalsContact CA-O 3.26Å; T53-D408 WeakPolarHBondContact CA-O 3.39Å; Q54-D408 PolarHBondContact N-O 3.02Å; L406-D408 PolarHBondContact O-N 3.18Å
409	Y	94.9	Very high	95.5	Very high	31 Å²	31	37.2 Å²	37.2	12%	0.122	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.5	-171.4	-56.3	-78.9	0	0	0	112	Q54 S58 I59 P60 I97 V405 L406	Q54-Y409 HydrophobicContact CB-CD1 3.98Å; Q54-Y409 HydrophobicContact CB-CE1 4.17Å; Q54-Y409 WeakPolarHBondContact O-CA 3.17Å; S58-Y409 WeakPolarHBondContact OG-CD1 2.87Å; S58-Y409 WeakPolarHBondContact OG-CE1 3.49Å; I59-Y409 HydrophobicContact CB-CD1 4.42Å; I59-Y409 HydrophobicContact CB-CE1 4.36Å; I59-Y409 HydrophobicContact CD1-CD1 4.34Å; I59-Y409 HydrophobicContact CD1-CG 4.07Å; I59-Y409 HydrophobicContact CG1-CD1 3.38Å; I59-Y409 HydrophobicContact CG1-CD2 4.09Å; I59-Y409 HydrophobicContact CG1-CE1 3.78Å; I59-Y409 HydrophobicContact CG1-CE2 4.43Å; I59-Y409 HydrophobicContact CG1-CG 3.54Å; P60-Y409 WeakPolarHBondContact CD-OH 3.4Å; I97-Y409 HydrophobicContact CD1-CD2 4.07Å; I97-Y409 HydrophobicContact CG2-CD2 3.86Å; I97-Y409 HydrophobicContact CG2-CE2 3.5Å; I97-Y409 VanDerWaalsContact CG2-CE2 3.5Å; V405-Y409 CarbonylContact C-O 3.58Å; V405-Y409 VanDerWaalsContact CA-O 3.29Å; V405-Y409 WeakPolarHBondContact CA-O 3.49Å; L406-Y409 PolarHBondContact N-O 3.07Å; L406-Y409 PolarHBondContact O-N 2.7Å; L406-Y409 VanDerWaalsContact O-N 3.12Å
410	S	95	Very high	95.6	Very high	43 Å²	43	36.1 Å²	36.1	30%	0.301	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	115.2	167	-171.7	0	0	0	0	109.4	Q54	Q54-S410 PolarHBondContact O-N 3.43Å
411	I	96.5	Very high	95.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.4	-175.3	-52.9	-179.5	0	0	0	108.9	L56 I59 I97 V108 L400 D403 T404 L406 T415 L417	L56-I411 HydrophobicContact CD1-CG2 4.2Å; I59-I411 HydrophobicContact CD1-CG1 4.45Å; I97-I411 HydrophobicContact CD1-CD1 4.17Å; V108-I411 HydrophobicContact CG1-CD1 4.2Å; L400-I411 HydrophobicContact CD1-CB 3.86Å; L400-I411 HydrophobicContact CD1-CG2 3.48Å; L400-I411 VanDerWaalsContact CD1-CG2 3.48Å; D403-I411 WeakPolarHBondContact CA-O 3.29Å; T404-I411 PolarHBondContact N-O 2.59Å; T404-I411 WeakPolarHBondContact O-CB 3.25Å; T404-I411 PolarHBondContact O-N 3.36Å; L406-I411 HydrophobicContact CB-CD1 3.88Å; L406-I411 HydrophobicContact CD1-CD1 3.97Å; L406-I411 HydrophobicContact CG-CD1 4.19Å; I411-T415 HydrophobicContact CG2-CG2 3.58Å; I411-L417 HydrophobicContact CD1-CD2 4.09Å; I411-L417 HydrophobicContact CG2-CD2 4.35Å
412	P	96.6	Very high	95.6	Very high	54 Å²	54	34 Å²	34	35%	0.351	19%	0.191	S	C	.	.			trans	-63.9	152.2	-178.2	-23	33.2	0	0	0	113.9	L56 D403 T415	L56-P412 HydrophobicContact CD2-CG 4.48Å; D403-P412 WeakPolarHBondContact OD1-CA 3.4Å; P412-T415 VanDerWaalsContact O-CB 3.31Å; P412-T415 WeakPolarHBondContact O-CB 3.35Å; P412-T415 PolarHBondContact O-N 2.81Å; P412-T415 PolarHBondContact O-OG1 3.48Å
413	K	96.7	Very high	95.7	Very high	141 Å²	141	29.8 Å²	29.8	61%	0.613	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.1	142	164.6	177.3	176.5	179.8	174.8	0	111.2	D401 D403 T415	D401-K413 WeakPolarHBondContact O-CD 3.26Å; D401-K413 WeakPolarHBondContact O-CE 3.02Å; D401-K413 WeakPolarHBondContact O-CG 3.17Å; D403-K413 PolarHBondContact OD1-N 2.83Å; K413-T415 VanDerWaalsContact C-N 3.27Å; K413-T415 PolarHBondContact O-N 3.17Å
414	G	95.5	Very high	95.7	Very high	47 Å²	47	24.4 Å²	24.4	49%	0.485	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	-12.4	-179.2	0	0	0	0	0	114	L400 V416	L400-G414 PolarHBondContact O-N 3.15Å; G414-V416 PolarHBondContact O-N 2.79Å
415	T	96.8	Very high	95.7	Very high	18 Å²	18	24.2 Å²	24.2	11%	0.11	14%	0.144	C	C	.	.			trans	-64.2	132.9	176	-54.5	0	0	0	0	110.9	L56 V108 L400 I411 P412 K413 L417	L56-T415 HydrophobicContact CD1-CG2 4.49Å; V108-T415 HydrophobicContact CB-CG2 4.38Å; V108-T415 HydrophobicContact CG2-CG2 3.83Å; L400-T415 PolarHBondContact N-O 3.27Å; I411-T415 HydrophobicContact CG2-CG2 3.58Å; P412-T415 VanDerWaalsContact O-CB 3.31Å; P412-T415 WeakPolarHBondContact O-CB 3.35Å; P412-T415 PolarHBondContact O-N 2.81Å; P412-T415 PolarHBondContact O-OG1 3.48Å; K413-T415 VanDerWaalsContact C-N 3.27Å; K413-T415 PolarHBondContact O-N 3.17Å; T415-L417 HydrophobicContact CG2-CD2 4.38Å
416	V	97.1	Very high	95.8	Very high	18 Å²	18	24.5 Å²	24.5	11%	0.109	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	114.3	173.8	-177.6	0	0	0	0	109.5	F105 S107 V108 L130 R398 G414 M418	F105-V416 HydrophobicContact CE2-CB 4.48Å; F105-V416 HydrophobicContact CE2-CG1 4.36Å; F105-V416 HydrophobicContact CE2-CG2 4.32Å; F105-V416 HydrophobicContact CZ-CB 4.39Å; F105-V416 HydrophobicContact CZ-CG1 3.98Å; S107-V416 CarbonylContact C-O 3.54Å; S107-V416 WeakPolarHBondContact CA-O 3.11Å; S107-V416 WeakPolarHBondContact CB-O 3.47Å; V108-V416 PolarHBondContact N-O 3.09Å; L130-V416 HydrophobicContact CD1-CG2 4.42Å; R398-V416 CarbonylContact O-C 3.53Å; R398-V416 WeakPolarHBondContact O-CA 3.43Å; G414-V416 PolarHBondContact O-N 2.79Å; V416-M418 HydrophobicContact CG1-SD 4.18Å
417	L	97.8	Very high	95.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	135.9	170.6	-57.3	-175.3	0	0	0	110.7	V108 L119 S397 R398 L400 L406 I411 T415	V108-L417 HydrophobicContact CB-CD2 3.7Å; V108-L417 HydrophobicContact CG1-CD2 4Å; V108-L417 CarbonylContact O-C 3.56Å; V108-L417 VanDerWaalsContact O-CA 3.22Å; V108-L417 WeakPolarHBondContact O-CA 3.33Å; L119-L417 HydrophobicContact CD1-CD1 3.65Å; L119-L417 HydrophobicContact CD2-CD1 3.92Å; L119-L417 HydrophobicContact CG-CD1 4.39Å; S397-L417 CarbonylContact C-O 3.51Å; S397-L417 WeakPolarHBondContact CA-O 3.2Å; R398-L417 HydrophobicContact CB-CB 4.32Å; R398-L417 PolarHBondContact N-O 3.09Å; R398-L417 PolarHBondContact O-N 3.44Å; L400-L417 HydrophobicContact CD1-CD1 4.15Å; L400-L417 HydrophobicContact CD1-CD2 4.42Å; L400-L417 HydrophobicContact CD1-CG 4.29Å; L400-L417 HydrophobicContact CD2-CD1 3.67Å; L400-L417 HydrophobicContact CD2-CG 4.33Å; L400-L417 HydrophobicContact CG-CD1 3.92Å; L400-L417 HydrophobicContact CG-CG 4.06Å; L406-L417 HydrophobicContact CD1-CD1 3.55Å; I411-L417 HydrophobicContact CD1-CD2 4.09Å; I411-L417 HydrophobicContact CG2-CD2 4.35Å; T415-L417 HydrophobicContact CG2-CD2 4.38Å
418	M	97.9	Very high	96.1	Very high	14 Å²	14	31 Å²	31	7%	0.069	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116.5	174	-61.9	-61.5	-69.2	0	0	109.1	V108 H109 I110 F395 T396 V416 N420	V108-M418 PolarHBondContact O-N 3.26Å; H109-M418 CarbonylContact C-O 3.44Å; H109-M418 WeakPolarHBondContact CA-O 3.5Å; H109-M418 VanDerWaalsContact ND1-CB 3.28Å; H109-M418 WeakPolarHBondContact ND1-CB 3.42Å; I110-M418 PolarHBondContact N-O 3.38Å; F395-M418 HydrophobicContact CD2-CE 3.31Å; F395-M418 HydrophobicContact CE2-CE 3.59Å; F395-M418 HydrophobicContact CG-CE 4.04Å; T396-M418 CarbonylContact O-C 3.59Å; V416-M418 HydrophobicContact CG1-SD 4.18Å; M418-N420 PolarHBondContact O-N 3.5Å
419	I	98	Very high	96.2	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	103.1	175.8	-56.9	168.9	0	0	0	107.5	I110 V116 L119 F395 T396 R398 S421 V455 V459	I110-I419 HydrophobicContact CD1-CG1 4.11Å; I110-I419 HydrophobicContact CG1-CG1 4.15Å; V116-I419 HydrophobicContact CG2-CG2 4Å; L119-I419 HydrophobicContact CD2-CD1 3.91Å; L119-I419 HydrophobicContact CD2-CG1 4.17Å; F395-I419 WeakPolarHBondContact CA-O 3.43Å; F395-I419 VanDerWaalsContact CB-O 3.27Å; F395-I419 WeakPolarHBondContact CB-O 3.39Å; T396-I419 HydrophobicContact CG2-CB 3.97Å; T396-I419 HydrophobicContact CG2-CD1 3.97Å; T396-I419 HydrophobicContact CG2-CG1 4.42Å; T396-I419 PolarHBondContact N-O 3.21Å; T396-I419 PolarHBondContact O-N 2.57Å; R398-I419 HydrophobicContact CG-CD1 4.36Å; I419-S421 PolarHBondContact O-N 3.44Å; I419-S421 VanDerWaalsContact O-N 3.12Å; I419-V455 HydrophobicContact CG2-CG2 4.32Å; I419-V459 HydrophobicContact CD1-CG1 4.18Å
420	N	97.9	Very high	96.1	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.011	19%	0.191	C	C	.	.			trans	-86.6	77.1	-174.8	-67.6	-17.1	0	0	0	111	H91 H109 I110 M418 H422 A423 Q424	H91-N420 PolarHBondContact CD2-ND2 2.98Å; H91-N420 PolarHBondContact NE2-ND2 2.85Å; H109-N420 WeakPolarHBondContact CB-ND2 3.48Å; H109-N420 PolarHBondContact ND1-ND2 2.67Å; H109-N420 VanDerWaalsContact ND1-ND2 3.15Å; H109-N420 PolarHBondContact ND1-OD1 3.33Å; I110-N420 PolarHBondContact O-N 2.9Å; M418-N420 PolarHBondContact O-N 3.5Å; N420-H422 VanDerWaalsContact C-N 3.34Å; N420-H422 PolarHBondContact O-N 3.31Å; N420-A423 HydrophobicContact CB-CB 4.05Å; N420-A423 PolarHBondContact O-N 2.69Å; N420-Q424 PolarHBondContact O-N 2.74Å; N420-Q424 VanDerWaalsContact O-N 3.15Å
421	S	95.4	Very high	96.1	Very high	15 Å²	15	32.4 Å²	32.4	11%	0.105	18%	0.178	C	C	.	.	H	α-helix	trans	-64.2	-33.6	-176.3	47.8	0	0	0	0	113.8	P394 I419 Q424 G425	P394-S421 PolarHBondContact O-N 2.7Å; P394-S421 PolarHBondContact O-OG 2.9Å; P394-S421 VanDerWaalsContact O-OG 3.1Å; I419-S421 PolarHBondContact O-N 3.44Å; I419-S421 VanDerWaalsContact O-N 3.12Å; S421-Q424 PolarHBondContact O-N 2.72Å; S421-G425 PolarHBondContact O-N 2.85Å
422	H	96.9	Very high	95.9	Very high	18 Å²	18	39.3 Å²	39.3	8%	0.083	21%	0.21	C	C	.	.	H	α-helix	trans	-64.7	-42.5	175	-174.6	-157.4	0	0	0	111.6	H84 P391 P394 N420 Q424 G425 A426	H84-H422 AromaticContact CD2-CE1 3.91Å; H84-H422 AromaticContact CD2-ND1 3.99Å; P391-H422 HydrophobicContact CG-CB 3.72Å; P394-H422 HydrophobicContact CB-CB 4.09Å; P394-H422 PolarHBondContact O-N 3.32Å; N420-H422 VanDerWaalsContact C-N 3.34Å; N420-H422 PolarHBondContact O-N 3.31Å; H422-Q424 VanDerWaalsContact C-N 3.32Å; H422-Q424 PolarHBondContact O-N 3.24Å; H422-G425 PolarHBondContact O-N 3.08Å; H422-G425 VanDerWaalsContact O-N 3.16Å; H422-A426 PolarHBondContact O-N 3.47Å; H422-A426 VanDerWaalsContact O-N 3.07Å
423	A	97	Very high	95.8	Very high	7 Å²	7	39 Å²	39	6%	0.058	21%	0.206	C	C	.	.	H	α-helix	trans	-65.8	-34.4	177.2	0	0	0	0	0	112.8	I88 N420 A426 N427	I88-A423 HydrophobicContact CG1-CB 3.97Å; N420-A423 HydrophobicContact CB-CB 4.05Å; N420-A423 PolarHBondContact O-N 2.69Å; A423-A426 PolarHBondContact O-N 3.15Å; A423-N427 PolarHBondContact O-N 3.03Å
424	Q	95.3	Very high	95.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.5	-46.2	170.9	-70.2	169.3	26.2	0	0	111.3	G111 V116 N420 S421 H422 A426 N427 F431 F452	G111-Q424 VanDerWaalsContact O-CG 3.29Å; G111-Q424 WeakPolarHBondContact O-CG 3.44Å; V116-Q424 VanDerWaalsContact CG2-NE2 3.27Å; N420-Q424 PolarHBondContact O-N 2.74Å; N420-Q424 VanDerWaalsContact O-N 3.15Å; S421-Q424 PolarHBondContact O-N 2.72Å; H422-Q424 VanDerWaalsContact C-N 3.32Å; H422-Q424 PolarHBondContact O-N 3.24Å; Q424-A426 VanDerWaalsContact C-N 3.25Å; Q424-A426 PolarHBondContact O-N 2.8Å; Q424-N427 PolarHBondContact O-N 2.89Å; Q424-F431 VanDerWaalsContact O-CD2 3.28Å; Q424-F431 WeakPolarHBondContact O-CD2 3.25Å; Q424-F431 WeakPolarHBondContact O-CE2 3.41Å; Q424-F452 PolarHBondContact OE1-O 2.66Å
425	G	96.1	Very high	95.7	Very high	3 Å²	3	35.1 Å²	35.1	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-59.6	-34.1	179.1	0	0	0	0	0	113.5	R388 S421 H422 F431	R388-G425 PolarHBondContact NH1-O 2.94Å; S421-G425 PolarHBondContact O-N 2.85Å; H422-G425 PolarHBondContact O-N 3.08Å; H422-G425 VanDerWaalsContact O-N 3.16Å; G425-F431 WeakPolarHBondContact O-CD2 3.32Å
426	A	95.6	Very high	95.7	Very high	29 Å²	29	41.1 Å²	41.1	24%	0.24	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	5.2	-179.6	0	0	0	0	0	114.7	I88 H422 A423 Q424 S434	I88-A426 HydrophobicContact CD1-CB 4.22Å; H422-A426 PolarHBondContact O-N 3.47Å; H422-A426 VanDerWaalsContact O-N 3.07Å; A423-A426 PolarHBondContact O-N 3.15Å; Q424-A426 VanDerWaalsContact C-N 3.25Å; Q424-A426 PolarHBondContact O-N 2.8Å; A426-S434 PolarHBondContact O-OG 3.01Å
427	N	95.7	Very high	95.7	Very high	48 Å²	48	40.8 Å²	40.8	26%	0.257	21%	0.206	S	C	.	.			trans	-94	119.3	-176.1	-171.7	-27.8	0	0	0	111.6	A423 Q424 E429 Y430 F431	A423-N427 PolarHBondContact O-N 3.03Å; Q424-N427 PolarHBondContact O-N 2.89Å; N427-E429 PolarHBondContact O-N 3.06Å; N427-E429 VanDerWaalsContact OD1-CB 3.25Å; N427-E429 WeakPolarHBondContact OD1-CB 3.31Å; N427-E429 PolarHBondContact OD1-N 3.48Å; N427-Y430 HydrophobicContact CB-CD2 3.66Å; N427-Y430 HydrophobicContact CB-CE2 3.99Å; N427-Y430 VanDerWaalsContact ND2-CE2 3.34Å; N427-Y430 WeakPolarHBondContact ND2-CE2 3.15Å; N427-Y430 PolarHBondContact O-N 3.05Å; N427-F431 PolarHBondContact O-N 2.86Å
428	E	94.1	Very high	95.7	Very high	98 Å²	98	43.3 Å²	43.3	46%	0.458	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.5	179.3	-66	-65.2	157.4	0	0	114	Y430 D433 S434	E428-Y430 PolarHBondContact O-N 3.42Å; E428-D433 WeakPolarHBondContact OE2-CA 3.38Å; E428-D433 PolarHBondContact OE2-N 3.19Å; E428-S434 VanDerWaalsContact CD-N 3.33Å; E428-S434 VanDerWaalsContact CD-OG 3.29Å; E428-S434 VanDerWaalsContact OE1-CB 3.23Å; E428-S434 WeakPolarHBondContact OE1-CB 3.28Å; E428-S434 PolarHBondContact OE1-N 3.07Å; E428-S434 PolarHBondContact OE1-OG 2.91Å; E428-S434 PolarHBondContact OE2-N 3.44Å
429	E	92.6	Very high	95.7	Very high	124 Å²	124	42.7 Å²	42.7	58%	0.579	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-32.6	172.9	-173.4	-175.6	160.4	0	0	111	K96 N427	K96-E429 IonicContact NZ-OE1 2.66Å; K96-E429 PolarHBondContact NZ-OE1 3.44Å; N427-E429 PolarHBondContact O-N 3.06Å; N427-E429 VanDerWaalsContact OD1-CB 3.25Å; N427-E429 WeakPolarHBondContact OD1-CB 3.31Å; N427-E429 PolarHBondContact OD1-N 3.48Å
430	Y	93.1	Very high	95.6	Very high	39 Å²	39	45.9 Å²	45.9	15%	0.153	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-24.2	-175.7	-47.5	-41.4	0	0	0	112.8	G111 A112 P113 N427 E428	G111-Y430 WeakPolarHBondContact O-CE2 3.21Å; A112-Y430 WeakPolarHBondContact CA-OH 3.24Å; A112-Y430 WeakPolarHBondContact CB-OH 3.12Å; P113-Y430 VanDerWaalsContact CD-CE1 3.43Å; P113-Y430 VanDerWaalsContact CD-CE2 3.4Å; P113-Y430 HydrophobicContact CG-CD1 3.84Å; P113-Y430 HydrophobicContact CG-CD2 4.08Å; P113-Y430 HydrophobicContact CG-CE1 3.99Å; P113-Y430 HydrophobicContact CG-CE2 4.25Å; P113-Y430 HydrophobicContact CG-CG 3.91Å; N427-Y430 HydrophobicContact CB-CD2 3.66Å; N427-Y430 HydrophobicContact CB-CE2 3.99Å; N427-Y430 VanDerWaalsContact ND2-CE2 3.34Å; N427-Y430 WeakPolarHBondContact ND2-CE2 3.15Å; N427-Y430 PolarHBondContact O-N 3.05Å; E428-Y430 PolarHBondContact O-N 3.42Å
431	F	94.5	Very high	95.4	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.018	23%	0.234	C	C	.	.	S	Bend	trans	-140.7	96.2	-177.4	-62.2	-77.2	0	0	0	110.8	R388 Q424 G425 N427 D433 S434 W442 I449 A453 H454	R388-F431 VanDerWaalsContact CD-CE1 3.5Å; R388-F431 HydrophobicContact CG-CD1 4.45Å; R388-F431 HydrophobicContact CG-CD2 4.48Å; R388-F431 HydrophobicContact CG-CE1 4.25Å; R388-F431 HydrophobicContact CG-CE2 4.29Å; R388-F431 HydrophobicContact CG-CZ 4.17Å; Q424-F431 VanDerWaalsContact O-CD2 3.28Å; Q424-F431 WeakPolarHBondContact O-CD2 3.25Å; Q424-F431 WeakPolarHBondContact O-CE2 3.41Å; G425-F431 WeakPolarHBondContact O-CD2 3.32Å; N427-F431 PolarHBondContact O-N 2.86Å; F431-D433 PolarHBondContact O-N 2.89Å; F431-S434 WeakPolarHBondContact O-CA 3.23Å; F431-S434 WeakPolarHBondContact O-CB 3.49Å; F431-S434 PolarHBondContact O-N 3.29Å; F431-S434 VanDerWaalsContact O-N 3.08Å; F431-W442 AromaticContact CE1-CH2 3.58Å; F431-W442 HydrophobicContact CE1-CH2 3.58Å; F431-W442 HydrophobicContact CE1-CZ2 4.02Å; F431-W442 HydrophobicContact CE1-CZ3 4.36Å; F431-W442 HydrophobicContact CZ-CH2 4.13Å; F431-I449 HydrophobicContact CD1-CD1 4.32Å; F431-I449 HydrophobicContact CD1-CG2 4.5Å; F431-I449 HydrophobicContact CE1-CD1 4.13Å; F431-I449 HydrophobicContact CE1-CG2 3.65Å; F431-I449 HydrophobicContact CZ-CG2 4.14Å; F431-A453 HydrophobicContact CE2-CB 3.95Å; F431-A453 WeakPolarHBondContact CE2-O 3.41Å; F431-A453 HydrophobicContact CZ-CB 3.77Å; F431-A453 WeakPolarHBondContact CZ-O 3.45Å; F431-H454 HydrophobicContact CZ-CB 4.4Å
432	H	92.5	Very high	95.5	Very high	145 Å²	145	47.6 Å²	47.6	67%	0.671	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	137	172.8	-178.2	-80.5	0	0	0	111.9	S434 R441	H432-S434 VanDerWaalsContact C-N 3.32Å; H432-R441 PolarHBondContact O-NH1 3.22Å
433	D	94.7	Very high	95.3	Very high	49 Å²	49	49 Å²	49	26%	0.262	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	55.1	-169.7	-61.7	-52.9	0	0	0	110.7	E428 F431 S435 R436 K438 R441	E428-D433 WeakPolarHBondContact OE2-CA 3.38Å; E428-D433 PolarHBondContact OE2-N 3.19Å; F431-D433 PolarHBondContact O-N 2.89Å; D433-S435 PolarHBondContact O-N 3.46Å; D433-S435 VanDerWaalsContact O-N 3.17Å; D433-R436 HydrophobicContact CB-CB 4.25Å; D433-R436 HydrophobicContact CB-CG 4.23Å; D433-R436 PolarHBondContact O-N 3.47Å; D433-K438 HydrophobicContact CB-CD 4.46Å; D433-K438 IonicContact OD2-NZ 3.26Å; D433-K438 PolarHBondContact OD2-NZ 3.16Å; D433-R441 PolarHBondContact O-NH2 3.27Å; D433-R441 VanDerWaalsContact O-NH2 3.07Å
434	S	95.3	Very high	94.1	Very high	11 Å²	11	58.5 Å²	58.5	8%	0.077	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.7	-174.2	72	0	0	0	0	112.1	R388 L389 A426 E428 F431 H432 R436	R388-S434 PolarHBondContact NH1-O 2.79Å; R388-S434 PolarHBondContact NH2-O 2.99Å; L389-S434 WeakPolarHBondContact CD2-O 3.47Å; A426-S434 PolarHBondContact O-OG 3.01Å; E428-S434 VanDerWaalsContact CD-N 3.33Å; E428-S434 VanDerWaalsContact CD-OG 3.29Å; E428-S434 VanDerWaalsContact OE1-CB 3.23Å; E428-S434 WeakPolarHBondContact OE1-CB 3.28Å; E428-S434 PolarHBondContact OE1-N 3.07Å; E428-S434 PolarHBondContact OE1-OG 2.91Å; E428-S434 PolarHBondContact OE2-N 3.44Å; F431-S434 WeakPolarHBondContact O-CA 3.23Å; F431-S434 WeakPolarHBondContact O-CB 3.49Å; F431-S434 PolarHBondContact O-N 3.29Å; F431-S434 VanDerWaalsContact O-N 3.08Å; H432-S434 VanDerWaalsContact C-N 3.32Å; S434-R436 VanDerWaalsContact C-N 3.34Å; S434-R436 PolarHBondContact O-N 3.24Å
435	S	95.4	Very high	92.5	Very high	95 Å²	95	68 Å²	68	66%	0.664	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-14.3	178	62	0	0	0	0	114.3	D433	D433-S435 PolarHBondContact O-N 3.46Å; D433-S435 VanDerWaalsContact O-N 3.17Å
436	R	96.7	Very high	90.7	Very high	143 Å²	143	70.8 Å²	70.8	54%	0.54	34%	0.344	S	S	.	.	S	Bend	trans	-95.3	137.1	-175.2	-64.8	-174.4	63.3	-178.7	2.5	112	R388 D433 S434 K438 R441	R388-R436 PolarHBondContact NH2-O 3.39Å; R388-R436 VanDerWaalsContact NH2-O 3.15Å; D433-R436 HydrophobicContact CB-CB 4.25Å; D433-R436 HydrophobicContact CB-CG 4.23Å; D433-R436 PolarHBondContact O-N 3.47Å; S434-R436 VanDerWaalsContact C-N 3.34Å; S434-R436 PolarHBondContact O-N 3.24Å; R436-K438 HydrophobicContact CB-CD 4.17Å; R436-K438 HydrophobicContact CB-CG 3.96Å; R436-K438 VanDerWaalsContact CZ-CE 3.49Å; R436-K438 PolarHBondContact O-N 3.36Å; R436-K438 VanDerWaalsContact O-N 3.14Å; R436-R441 PolarHBondContact O-NH2 3.12Å
437	F	98.1	Very high	89.3	Confident	12 Å²	12	71.7 Å²	71.7	5%	0.053	35%	0.349	C	S	.	.			trans	-75.4	99.1	170.9	-171.6	-103.6	0	0	0	110.1	N343 L344 N347 V350 C382 E385 L389 P439	N343-F437 HydrophobicContact CB-CD1 4.44Å; N343-F437 HydrophobicContact CB-CD2 3.58Å; N343-F437 HydrophobicContact CB-CE1 4.31Å; N343-F437 HydrophobicContact CB-CE2 3.49Å; N343-F437 VanDerWaalsContact CB-CE2 3.49Å; N343-F437 HydrophobicContact CB-CG 4.1Å; N343-F437 HydrophobicContact CB-CZ 3.89Å; L344-F437 HydrophobicContact CD2-CE1 4.21Å; N347-F437 HydrophobicContact CB-CD1 4.1Å; N347-F437 WeakPolarHBondContact ND2-CB 3.29Å; V350-F437 HydrophobicContact CB-CD1 4.49Å; V350-F437 HydrophobicContact CB-CE1 4.42Å; V350-F437 HydrophobicContact CG1-CD1 4.08Å; V350-F437 HydrophobicContact CG1-CE1 3.6Å; V350-F437 HydrophobicContact CG2-CD1 4.38Å; C382-F437 HydrophobicContact CB-CZ 4.39Å; E385-F437 HydrophobicContact CB-CD2 4.18Å; E385-F437 HydrophobicContact CB-CE2 3.83Å; E385-F437 HydrophobicContact CB-CZ 4.38Å; E385-F437 HydrophobicContact CG-CD2 3.5Å; E385-F437 HydrophobicContact CG-CE2 3.7Å; E385-F437 HydrophobicContact CG-CG 4.05Å; E385-F437 HydrophobicContact CG-CZ 4.44Å; L389-F437 VanDerWaalsContact CD1-CA 3.49Å; L389-F437 HydrophobicContact CD1-CB 3.76Å; L389-F437 HydrophobicContact CD1-CD2 3.69Å; L389-F437 HydrophobicContact CD1-CG 4.23Å; F437-P439 HydrophobicContact CD1-CG 4.17Å; F437-P439 HydrophobicContact CE1-CG 3.71Å; F437-P439 HydrophobicContact CZ-CG 4.05Å
438	K	96.9	Very high	88.6	Confident	53 Å²	53	75.4 Å²	75.4	23%	0.23	37%	0.374	C	S	.	.			trans	-129.4	85.7	-178.1	-61.3	-178.7	173.4	-171.8	0	111	E385 D433 R436 E440 R441	E385-K438 PolarHBondContact OE1-N 2.88Å; D433-K438 HydrophobicContact CB-CD 4.46Å; D433-K438 IonicContact OD2-NZ 3.26Å; D433-K438 PolarHBondContact OD2-NZ 3.16Å; R436-K438 HydrophobicContact CB-CD 4.17Å; R436-K438 HydrophobicContact CB-CG 3.96Å; R436-K438 VanDerWaalsContact CZ-CE 3.49Å; R436-K438 PolarHBondContact O-N 3.36Å; R436-K438 VanDerWaalsContact O-N 3.14Å; K438-E440 PolarHBondContact O-N 2.63Å; K438-E440 VanDerWaalsContact O-N 3.16Å; K438-R441 VanDerWaalsContact O-CG 3.27Å; K438-R441 WeakPolarHBondContact O-CG 3.28Å; K438-R441 PolarHBondContact O-N 3.07Å; K438-R441 PolarHBondContact O-NE 3.46Å
439	P	97.7	Very high	88.4	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-57	-28.3	177.5	-27.9	38.2	0	0	0	113.8	V350 Y378 A381 C382 E385 F437 R441 W442	V350-P439 HydrophobicContact CG1-CG 3.64Å; Y378-P439 HydrophobicContact CD2-CB 4.41Å; Y378-P439 HydrophobicContact CE2-CB 3.81Å; A381-P439 HydrophobicContact CB-CB 3.96Å; A381-P439 WeakPolarHBondContact CB-O 3.29Å; C382-P439 HydrophobicContact CB-CG 4.35Å; E385-P439 HydrophobicContact CB-CG 4.37Å; F437-P439 HydrophobicContact CD1-CG 4.17Å; F437-P439 HydrophobicContact CE1-CG 3.71Å; F437-P439 HydrophobicContact CZ-CG 4.05Å; P439-R441 PolarHBondContact O-N 3.39Å; P439-W442 PolarHBondContact O-N 3.4Å
440	E	95.9	Very high	88.4	Confident	68 Å²	68	67.8 Å²	67.8	32%	0.318	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-50.4	-29.4	178.8	-72.5	71.3	-159.2	0	0	113.5	K353 Y378 K438 W442 L443 S446	K353-E440 IonicContact NZ-OE1 3.48Å; K353-E440 PolarHBondContact NZ-OE1 2.82Å; Y378-E440 WeakPolarHBondContact CE2-OE1 3.14Å; Y378-E440 PolarHBondContact OH-OE1 2.86Å; K438-E440 PolarHBondContact O-N 2.63Å; K438-E440 VanDerWaalsContact O-N 3.16Å; E440-W442 PolarHBondContact O-N 3.2Å; E440-W442 VanDerWaalsContact O-N 3.11Å; E440-L443 PolarHBondContact O-N 3.11Å; E440-S446 PolarHBondContact O-OG 3.02Å
441	R	94.8	Very high	88.3	Confident	30 Å²	30	69.6 Å²	69.6	11%	0.113	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-63	-17	-179.9	77.5	-179.7	74.7	-142.4	7.9	114	E385 H432 D433 R436 K438 P439 S447 I449	E385-R441 VanDerWaalsContact CD-NE 3.29Å; E385-R441 IonicContact OE1-CZ 3.04Å; E385-R441 IonicContact OE1-NE 2.78Å; E385-R441 PolarHBondContact OE1-NE 3.3Å; E385-R441 IonicContact OE1-NH2 3.38Å; E385-R441 PolarHBondContact OE1-NH2 3.04Å; E385-R441 WeakPolarHBondContact OE2-CD 3.33Å; E385-R441 IonicContact OE2-CZ 2.59Å; E385-R441 IonicContact OE2-NE 2.73Å; E385-R441 PolarHBondContact OE2-NE 3.18Å; E385-R441 VanDerWaalsContact OE2-NE 3.08Å; H432-R441 PolarHBondContact O-NH1 3.22Å; D433-R441 PolarHBondContact O-NH2 3.27Å; D433-R441 VanDerWaalsContact O-NH2 3.07Å; R436-R441 PolarHBondContact O-NH2 3.12Å; K438-R441 VanDerWaalsContact O-CG 3.27Å; K438-R441 WeakPolarHBondContact O-CG 3.28Å; K438-R441 PolarHBondContact O-N 3.07Å; K438-R441 PolarHBondContact O-NE 3.46Å; P439-R441 PolarHBondContact O-N 3.39Å; R441-S447 WeakPolarHBondContact O-CB 3.49Å; R441-S447 PolarHBondContact O-OG 2.84Å; R441-I449 HydrophobicContact CB-CD1 4.06Å; R441-I449 HydrophobicContact CG-CD1 3.8Å; R441-I449 VanDerWaalsContact O-CD1 3.22Å; R441-I449 WeakPolarHBondContact O-CD1 3.33Å
442	W	95.6	Very high	88.4	Confident	24 Å²	24	70.2 Å²	70.2	9%	0.091	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-98.6	-2.7	-177.4	-55.5	107.5	0	0	0	114	A381 K384 E385 R388 F431 P439 E440 I449 H454	A381-W442 HydrophobicContact CB-CB 3.87Å; K384-W442 HydrophobicContact CB-CD2 3.95Å; K384-W442 HydrophobicContact CB-CG 4.08Å; K384-W442 HydrophobicContact CB-CZ2 4.28Å; K384-W442 HydrophobicContact CD-CD2 4.31Å; K384-W442 HydrophobicContact CD-CE3 4.33Å; K384-W442 HydrophobicContact CD-CG 4.45Å; E385-W442 PolarHBondContact OE2-NE1 2.96Å; R388-W442 HydrophobicContact CB-CZ2 4.14Å; R388-W442 HydrophobicContact CG-CZ2 4.41Å; F431-W442 AromaticContact CE1-CH2 3.58Å; F431-W442 HydrophobicContact CE1-CH2 3.58Å; F431-W442 HydrophobicContact CE1-CZ2 4.02Å; F431-W442 HydrophobicContact CE1-CZ3 4.36Å; F431-W442 HydrophobicContact CZ-CH2 4.13Å; P439-W442 PolarHBondContact O-N 3.4Å; E440-W442 PolarHBondContact O-N 3.2Å; E440-W442 VanDerWaalsContact O-N 3.11Å; W442-I449 HydrophobicContact CD2-CD1 4.09Å; W442-I449 HydrophobicContact CE3-CD1 3.61Å; W442-I449 HydrophobicContact CH2-CD1 4.12Å; W442-I449 HydrophobicContact CH2-CG2 4.22Å; W442-I449 HydrophobicContact CZ2-CD1 4.5Å; W442-I449 HydrophobicContact CZ3-CB 4.26Å; W442-I449 HydrophobicContact CZ3-CD1 3.65Å; W442-I449 HydrophobicContact CZ3-CG2 3.76Å; W442-H454 HydrophobicContact CH2-CB 3.65Å; W442-H454 AromaticContact CH2-CG 3.49Å; W442-H454 VanDerWaalsContact CH2-CG 3.49Å; W442-H454 AromaticContact CH2-ND1 3.65Å; W442-H454 AromaticContact CZ2-ND1 3.98Å; W442-H454 HydrophobicContact CZ3-CB 4.07Å
443	L	93.4	Very high	88.5	Confident	48 Å²	48	63.4 Å²	63.4	25%	0.251	33%	0.328	S	S	.	.	S	Bend	trans	-85	150.2	-179.7	-58.5	178.7	0	0	0	110.8	P377 Y378 A381 E440 E445 S446 S447	P377-L443 HydrophobicContact CB-CD2 4.22Å; Y378-L443 HydrophobicContact CD2-CD1 4.1Å; A381-L443 HydrophobicContact CB-CD2 4.05Å; E440-L443 PolarHBondContact O-N 3.11Å; L443-E445 PolarHBondContact O-N 2.86Å; L443-E445 VanDerWaalsContact O-N 3.13Å; L443-S446 PolarHBondContact O-N 3.31Å; L443-S446 PolarHBondContact O-OG 3.27Å; L443-S447 WeakPolarHBondContact O-CB 3.4Å; L443-S447 PolarHBondContact O-N 2.92Å
444	K	71.3	Confident	88.5	Confident	205 Å²	205	62.6 Å²	62.6	89%	0.891	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-31	-168.9	-74.9	-175.3	176.1	-177.1	0	114.6	S446	K444-S446 PolarHBondContact O-N 2.93Å
445	E	62.8	Low	88.6	Confident	201 Å²	201	62.7 Å²	62.7	94%	0.939	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-14.9	-178.9	-67.3	173	-175.8	0	0	112.9	L443	L443-E445 PolarHBondContact O-N 2.86Å; L443-E445 VanDerWaalsContact O-N 3.13Å
446	S	57.4	Low	88.6	Confident	61 Å²	61	59.7 Å²	59.7	43%	0.427	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-11.8	-174.2	60.7	0	0	0	0	114.4	E440 L443 K444 T448	E440-S446 PolarHBondContact O-OG 3.02Å; L443-S446 PolarHBondContact O-N 3.31Å; L443-S446 PolarHBondContact O-OG 3.27Å; K444-S446 PolarHBondContact O-N 2.93Å; S446-T448 PolarHBondContact O-N 3.38Å
447	S	66.8	Low	88.6	Confident	48 Å²	48	54.5 Å²	54.5	34%	0.336	28%	0.282	S	S	.	.			trans	-93.3	96.5	-164.1	-150.1	0	0	0	0	113.4	R441 L443 I449	R441-S447 WeakPolarHBondContact O-CB 3.49Å; R441-S447 PolarHBondContact O-OG 2.84Å; L443-S447 WeakPolarHBondContact O-CB 3.4Å; L443-S447 PolarHBondContact O-N 2.92Å; S447-I449 VanDerWaalsContact C-N 3.33Å
448	T	81.3	Confident	88.5	Confident	126 Å²	126	54.4 Å²	54.4	77%	0.773	28%	0.284	S	S	*	.			trans	-95.6	13.1	163.4	54.3	0	0	0	0	112.2	S446 N450	S446-T448 PolarHBondContact O-N 3.38Å; T448-N450 PolarHBondContact O-N 2.97Å
449	I	89.9	Confident	88.4	Confident	34 Å²	34	52.5 Å²	52.5	17%	0.174	28%	0.277	C	S	.	.			trans	-70	123.4	-172.2	-60.4	172.4	0	0	0	109.8	F431 R441 W442 S447 A453	F431-I449 HydrophobicContact CD1-CD1 4.32Å; F431-I449 HydrophobicContact CD1-CG2 4.5Å; F431-I449 HydrophobicContact CE1-CD1 4.13Å; F431-I449 HydrophobicContact CE1-CG2 3.65Å; F431-I449 HydrophobicContact CZ-CG2 4.14Å; R441-I449 HydrophobicContact CB-CD1 4.06Å; R441-I449 HydrophobicContact CG-CD1 3.8Å; R441-I449 VanDerWaalsContact O-CD1 3.22Å; R441-I449 WeakPolarHBondContact O-CD1 3.33Å; W442-I449 HydrophobicContact CD2-CD1 4.09Å; W442-I449 HydrophobicContact CE3-CD1 3.61Å; W442-I449 HydrophobicContact CH2-CD1 4.12Å; W442-I449 HydrophobicContact CH2-CG2 4.22Å; W442-I449 HydrophobicContact CZ2-CD1 4.5Å; W442-I449 HydrophobicContact CZ3-CB 4.26Å; W442-I449 HydrophobicContact CZ3-CD1 3.65Å; W442-I449 HydrophobicContact CZ3-CG2 3.76Å; S447-I449 VanDerWaalsContact C-N 3.33Å; I449-A453 HydrophobicContact CG2-CB 4.39Å
450	N	91.5	Very high	88.2	Confident	27 Å²	27	53.2 Å²	53.2	14%	0.144	28%	0.284	C	S	.	.			trans	-59.6	127	174.8	-174.9	-44.9	0	0	0	110.2	P113 T448 F452 A453	P113-N450 HydrophobicContact CB-CB 4.24Å; T448-N450 PolarHBondContact O-N 2.97Å; N450-F452 PolarHBondContact O-N 3.42Å; N450-F452 VanDerWaalsContact O-N 3.12Å; N450-F452 WeakPolarHBondContact OD1-CB 3.34Å; N450-F452 WeakPolarHBondContact OD1-CD2 3.47Å; N450-F452 PolarHBondContact OD1-N 3.06Å; N450-A453 HydrophobicContact CB-CB 4.37Å; N450-A453 WeakPolarHBondContact O-CB 3.43Å; N450-A453 PolarHBondContact O-N 2.93Å
451	P	92.1	Very high	88.2	Confident	77 Å²	77	55.2 Å²	55.2	50%	0.5	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-56.1	-29.4	178.9	-27.6	35.7	0	0	0	114.6	L34 A453 H454	L34-P451 HydrophobicContact CD2-CG 4.46Å; P451-A453 VanDerWaalsContact C-N 3.28Å; P451-A453 PolarHBondContact O-N 3.42Å; P451-H454 PolarHBondContact O-N 3.47Å
452	F	95.3	Very high	88.3	Confident	17 Å²	17	54.2 Å²	54.2	8%	0.075	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-79.6	-5.3	176.8	-62.1	-77.5	0	0	0	113.8	L34 P113 V116 E117 Y120 Q424 N450 H454 V459	L34-F452 HydrophobicContact CD1-CE2 4.23Å; P113-F452 HydrophobicContact CB-CB 4.06Å; P113-F452 WeakPolarHBondContact O-CB 3.27Å; V116-F452 HydrophobicContact CB-CB 4.29Å; V116-F452 HydrophobicContact CG1-CB 4.36Å; V116-F452 HydrophobicContact CG1-CD1 4Å; E117-F452 HydrophobicContact CB-CB 4.49Å; E117-F452 HydrophobicContact CB-CD1 4.21Å; E117-F452 HydrophobicContact CB-CD2 3.59Å; E117-F452 HydrophobicContact CB-CE1 4.32Å; E117-F452 HydrophobicContact CB-CE2 3.73Å; E117-F452 HydrophobicContact CB-CG 3.84Å; E117-F452 HydrophobicContact CB-CZ 4.1Å; E117-F452 HydrophobicContact CG-CD2 3.86Å; E117-F452 HydrophobicContact CG-CE2 3.48Å; E117-F452 VanDerWaalsContact CG-CE2 3.48Å; E117-F452 HydrophobicContact CG-CZ 3.86Å; Y120-F452 AromaticContact CD1-CE1 3.65Å; Y120-F452 HydrophobicContact CD1-CE1 3.65Å; Y120-F452 AromaticContact CD1-CZ 3.6Å; Y120-F452 HydrophobicContact CD1-CZ 3.6Å; Y120-F452 HydrophobicContact CE1-CE1 4.41Å; Y120-F452 HydrophobicContact CE1-CZ 4.13Å; Y120-F452 AromaticContact CG-CE1 3.9Å; Y120-F452 HydrophobicContact CG-CE1 3.9Å; Y120-F452 HydrophobicContact CG-CZ 4.32Å; Q424-F452 PolarHBondContact OE1-O 2.66Å; N450-F452 PolarHBondContact O-N 3.42Å; N450-F452 VanDerWaalsContact O-N 3.12Å; N450-F452 WeakPolarHBondContact OD1-CB 3.34Å; N450-F452 WeakPolarHBondContact OD1-CD2 3.47Å; N450-F452 PolarHBondContact OD1-N 3.06Å; F452-H454 VanDerWaalsContact C-N 3.33Å; F452-V459 HydrophobicContact CD1-CG2 4.03Å; F452-V459 HydrophobicContact CE1-CG2 3.83Å
453	A	94.8	Very high	88.4	Confident	3 Å²	3	54.5 Å²	54.5	3%	0.025	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-81.1	-14.1	170.3	0	0	0	0	0	112.8	P113 F431 I449 N450 P451	P113-A453 HydrophobicContact CB-CB 4.27Å; P113-A453 HydrophobicContact CG-CB 3.59Å; F431-A453 HydrophobicContact CE2-CB 3.95Å; F431-A453 WeakPolarHBondContact CE2-O 3.41Å; F431-A453 HydrophobicContact CZ-CB 3.77Å; F431-A453 WeakPolarHBondContact CZ-O 3.45Å; I449-A453 HydrophobicContact CG2-CB 4.39Å; N450-A453 HydrophobicContact CB-CB 4.37Å; N450-A453 WeakPolarHBondContact O-CB 3.43Å; N450-A453 PolarHBondContact O-N 2.93Å; P451-A453 VanDerWaalsContact C-N 3.28Å; P451-A453 PolarHBondContact O-N 3.42Å
454	H	95.6	Very high	88.6	Confident	32 Å²	32	54.5 Å²	54.5	15%	0.148	29%	0.294	C	S	.	.			trans	-132.8	88.6	-177.1	-173.9	71.8	0	0	0	111.5	K384 F431 W442 P451 F452 P456	K384-H454 PolarHBondContact O-CE1 3.07Å; F431-H454 HydrophobicContact CZ-CB 4.4Å; W442-H454 HydrophobicContact CH2-CB 3.65Å; W442-H454 AromaticContact CH2-CG 3.49Å; W442-H454 VanDerWaalsContact CH2-CG 3.49Å; W442-H454 AromaticContact CH2-ND1 3.65Å; W442-H454 AromaticContact CZ2-ND1 3.98Å; W442-H454 HydrophobicContact CZ3-CB 4.07Å; P451-H454 PolarHBondContact O-N 3.47Å; F452-H454 VanDerWaalsContact C-N 3.33Å; H454-P456 WeakPolarHBondContact NE2-CG 3.22Å; H454-P456 WeakPolarHBondContact O-CD 3.18Å
455	V	96.5	Very high	89.8	Confident	13 Å²	13	45.6 Å²	45.6	8%	0.079	26%	0.256	C	S	.	.			trans	-122.3	51	-176.6	-66.7	0	0	0	0	113.1	I419 F457 G458 V459	I419-V455 HydrophobicContact CG2-CG2 4.32Å; V455-F457 PolarHBondContact O-N 2.98Å; V455-F457 VanDerWaalsContact O-N 3.15Å; V455-G458 WeakPolarHBondContact O-CA 3.49Å; V455-G458 PolarHBondContact O-N 3.37Å; V455-V459 HydrophobicContact CG1-CB 4.26Å
456	P	96	Very high	91.4	Very high	31 Å²	31	36.9 Å²	36.9	20%	0.201	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.5	-177.7	29.3	-37	0	0	0	113.1	M387 H454	M387-P456 HydrophobicContact CB-CB 3.98Å; M387-P456 HydrophobicContact CB-CG 4.14Å; M387-P456 HydrophobicContact SD-CB 4.28Å; M387-P456 HydrophobicContact SD-CG 4.09Å; H454-P456 WeakPolarHBondContact NE2-CG 3.22Å; H454-P456 WeakPolarHBondContact O-CD 3.18Å
457	F	97.4	Very high	93.4	Very high	35 Å²	35	36.3 Å²	36.3	15%	0.154	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	10.8	174.1	-67.1	-76.4	0	0	0	113	M387 V455 M463 C464 R467 A470 E471	M387-F457 HydrophobicContact CE-CE2 4.13Å; M387-F457 HydrophobicContact CE-CZ 3.85Å; M387-F457 HydrophobicContact SD-CE2 3.67Å; M387-F457 HydrophobicContact SD-CZ 3.94Å; V455-F457 PolarHBondContact O-N 2.98Å; V455-F457 VanDerWaalsContact O-N 3.15Å; F457-M463 HydrophobicContact CB-CE 4.22Å; F457-C464 HydrophobicContact CB-CB 3.91Å; F457-C464 HydrophobicContact CD1-CB 3.82Å; F457-C464 HydrophobicContact CG-CB 4.35Å; F457-C464 WeakPolarHBondContact O-CB 3.36Å; F457-C464 PolarHBondContact O-N 3.48Å; F457-R467 HydrophobicContact CB-CB 4.32Å; F457-R467 HydrophobicContact CB-CG 4.22Å; F457-R467 HydrophobicContact CD1-CB 3.88Å; F457-R467 HydrophobicContact CD1-CG 3.99Å; F457-R467 HydrophobicContact CD2-CG 3.74Å; F457-R467 HydrophobicContact CE1-CB 4.32Å; F457-R467 HydrophobicContact CE1-CG 4.28Å; F457-R467 HydrophobicContact CE2-CG 4.06Å; F457-R467 HydrophobicContact CG-CB 3.98Å; F457-R467 HydrophobicContact CG-CG 3.7Å; F457-R467 HydrophobicContact CZ-CG 4.31Å; F457-A470 HydrophobicContact CE1-CB 4.16Å; F457-A470 HydrophobicContact CZ-CB 4.47Å; F457-E471 HydrophobicContact CE2-CG 4.24Å; F457-E471 HydrophobicContact CZ-CG 4.28Å
458	G	95.9	Very high	94.8	Very high	10 Å²	10	35.6 Å²	35.6	10%	0.103	20%	0.199	C	C	.	.			trans	71.6	-172.8	-167.4	0	0	0	0	0	113	V455	V455-G458 WeakPolarHBondContact O-CA 3.49Å; V455-G458 PolarHBondContact O-N 3.37Å
459	V	93.9	Very high	95.6	Very high	13 Å²	13	30 Å²	30	8%	0.079	16%	0.164	C	C	.	.	S	Bend	trans	-127.3	159.9	-176.6	67.6	0	0	0	0	110.6	V116 Y120 R398 I419 F452 V455 M463	V116-V459 HydrophobicContact CG1-CB 4.42Å; V116-V459 HydrophobicContact CG1-CG1 4.07Å; V116-V459 HydrophobicContact CG1-CG2 4.48Å; Y120-V459 HydrophobicContact CD2-CG2 3.95Å; Y120-V459 HydrophobicContact CG-CG2 4.05Å; R398-V459 PolarHBondContact NH2-O 3.21Å; I419-V459 HydrophobicContact CD1-CG1 4.18Å; F452-V459 HydrophobicContact CD1-CG2 4.03Å; F452-V459 HydrophobicContact CE1-CG2 3.83Å; V455-V459 HydrophobicContact CG1-CB 4.26Å; V459-M463 PolarHBondContact O-N 3.42Å
460	G	95	Very high	96	Very high	14 Å²	14	29 Å²	29	14%	0.144	16%	0.16	C	C	.	.	S	Bend	trans	75.3	-166.8	169	0	0	0	0	0	115.9	E123 R462 M463	E123-G460 WeakPolarHBondContact OE2-CA 3.46Å; G460-R462 PolarHBondContact O-N 2.9Å; G460-M463 VanDerWaalsContact O-CB 3.31Å; G460-M463 WeakPolarHBondContact O-CB 3.27Å; G460-M463 WeakPolarHBondContact O-CG 3.36Å; G460-M463 PolarHBondContact O-N 2.75Å
461	K	94.8	Very high	96.3	Very high	111 Å²	111	29.4 Å²	29.4	48%	0.483	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.6	-173.6	-62.4	-177.8	-178.6	174.5	0	112.1	E123 P127 W156 R160	E123-K461 PolarHBondContact OE2-N 2.91Å; P127-K461 HydrophobicContact CG-CB 4.32Å; W156-K461 HydrophobicContact CH2-CB 4Å; R160-K461 PolarHBondContact NH2-O 2.89Å
462	R	96.7	Very high	96.6	Very high	9 Å²	9	26.3 Å²	26.3	3%	0.034	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	25.7	177.2	-157.1	160.5	-176.5	174	-5.5	113.6	P127 R129 L151 E152 W156 G460	P127-R462 HydrophobicContact CB-CB 4.13Å; P127-R462 HydrophobicContact CG-CB 4.13Å; P127-R462 WeakPolarHBondContact O-CD 3.4Å; P127-R462 PolarHBondContact O-NH1 2.82Å; R129-R462 PolarHBondContact NH2-O 3.32Å; L151-R462 PolarHBondContact O-NH2 3.33Å; E152-R462 VanDerWaalsContact CD-NH1 3.27Å; E152-R462 IonicContact OE1-CZ 2.76Å; E152-R462 IonicContact OE1-NH1 3.39Å; E152-R462 PolarHBondContact OE1-NH1 3.21Å; E152-R462 IonicContact OE1-NH2 3.78Å; E152-R462 PolarHBondContact OE1-NH2 2.84Å; E152-R462 IonicContact OE2-CZ 3.84Å; E152-R462 IonicContact OE2-NH1 3.06Å; E152-R462 PolarHBondContact OE2-NH1 3.16Å; E152-R462 IonicContact OE2-NH2 3.23Å; W156-R462 HydrophobicContact CH2-CB 3.98Å; W156-R462 HydrophobicContact CH2-CG 4.35Å; W156-R462 HydrophobicContact CZ2-CB 3.59Å; W156-R462 HydrophobicContact CZ2-CG 3.52Å; G460-R462 PolarHBondContact O-N 2.9Å
463	M	97.4	Very high	96.8	Very high	29 Å²	29	25.7 Å²	25.7	14%	0.143	14%	0.138	C	C	.	.	S	Bend	trans	-65.6	165.1	164.2	74.6	179.1	-59.2	0	0	111.6	R160 M168 F457 V459 G460 I465	R160-M463 PolarHBondContact NH1-O 2.78Å; R160-M463 PolarHBondContact NH2-O 2.61Å; M168-M463 HydrophobicContact CE-SD 4.25Å; F457-M463 HydrophobicContact CB-CE 4.22Å; V459-M463 PolarHBondContact O-N 3.42Å; G460-M463 VanDerWaalsContact O-CB 3.31Å; G460-M463 WeakPolarHBondContact O-CB 3.27Å; G460-M463 WeakPolarHBondContact O-CG 3.36Å; G460-M463 PolarHBondContact O-N 2.75Å; M463-I465 PolarHBondContact O-N 2.8Å
464	C	98.3	Very high	97	Very high	49 Å²	49	25.6 Å²	25.6	33%	0.331	14%	0.137	S	C	.	.			trans	-50.2	125	-179.8	-176.6	0	0	0	0	111.7	F457 G466 R467	F457-C464 HydrophobicContact CB-CB 3.91Å; F457-C464 HydrophobicContact CD1-CB 3.82Å; F457-C464 HydrophobicContact CG-CB 4.35Å; F457-C464 WeakPolarHBondContact O-CB 3.36Å; F457-C464 PolarHBondContact O-N 3.48Å; C464-G466 VanDerWaalsContact C-N 3.32Å; C464-G466 PolarHBondContact SG-N 3.26Å; C464-G466 VanDerWaalsContact SG-N 3.42Å; C464-R467 HydrophobicContact CB-CB 4.49Å
465	I	97.4	Very high	97.1	Very high	17 Å²	17	25.1 Å²	25.1	9%	0.087	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-25.5	178.5	-158.2	168.2	0	0	0	112.4	L148 R160 F163 L167 M168 L325 M463 R467	L148-I465 HydrophobicContact CD1-CD1 3.47Å; L148-I465 VanDerWaalsContact CD1-CD1 3.47Å; L148-I465 HydrophobicContact CD1-CG2 4.3Å; R160-I465 VanDerWaalsContact NH1-CB 3.31Å; F163-I465 HydrophobicContact CB-CD1 3.47Å; F163-I465 VanDerWaalsContact CB-CD1 3.47Å; L167-I465 HydrophobicContact CB-CG1 4.38Å; L167-I465 HydrophobicContact CD1-CD1 4.43Å; L167-I465 HydrophobicContact CD1-CG1 4.3Å; M168-I465 HydrophobicContact CG-CG1 4.47Å; L325-I465 HydrophobicContact CD2-CG2 3.35Å; M463-I465 PolarHBondContact O-N 2.8Å; I465-R467 VanDerWaalsContact C-N 3.32Å
466	G	96.7	Very high	97.2	Very high	18 Å²	18	24.5 Å²	24.5	19%	0.186	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	3.2	-179.9	0	0	0	0	0	113.7	C464 R468 L469 A470	C464-G466 VanDerWaalsContact C-N 3.32Å; C464-G466 PolarHBondContact SG-N 3.26Å; C464-G466 VanDerWaalsContact SG-N 3.42Å; G466-R468 VanDerWaalsContact C-N 3.33Å; G466-R468 PolarHBondContact O-N 3.4Å; G466-L469 PolarHBondContact O-N 2.73Å; G466-L469 VanDerWaalsContact O-N 3.14Å; G466-A470 WeakPolarHBondContact O-CB 3.43Å; G466-A470 PolarHBondContact O-N 3.1Å
467	R	97.9	Very high	97.3	Very high	50 Å²	50	23 Å²	23	19%	0.189	12%	0.122	C	C	.	.	H	α-helix	trans	-48.8	-51.9	-171.9	172.6	179.5	170	-176.4	0.9	112.6	M168 F457 C464 I465 A470 E471	M168-R467 HydrophobicContact CE-CB 4.36Å; M168-R467 HydrophobicContact SD-CB 4.21Å; F457-R467 HydrophobicContact CB-CB 4.32Å; F457-R467 HydrophobicContact CB-CG 4.22Å; F457-R467 HydrophobicContact CD1-CB 3.88Å; F457-R467 HydrophobicContact CD1-CG 3.99Å; F457-R467 HydrophobicContact CD2-CG 3.74Å; F457-R467 HydrophobicContact CE1-CB 4.32Å; F457-R467 HydrophobicContact CE1-CG 4.28Å; F457-R467 HydrophobicContact CE2-CG 4.06Å; F457-R467 HydrophobicContact CG-CB 3.98Å; F457-R467 HydrophobicContact CG-CG 3.7Å; F457-R467 HydrophobicContact CZ-CG 4.31Å; C464-R467 HydrophobicContact CB-CB 4.49Å; I465-R467 VanDerWaalsContact C-N 3.32Å; R467-A470 PolarHBondContact O-N 2.71Å; R467-E471 HydrophobicContact CG-CG 4.38Å; R467-E471 IonicContact CZ-OE1 3.34Å; R467-E471 IonicContact NE-OE1 2.86Å; R467-E471 PolarHBondContact NE-OE1 2.77Å; R467-E471 IonicContact NE-OE2 3.94Å; R467-E471 IonicContact NH2-OE1 2.89Å; R467-E471 PolarHBondContact NH2-OE1 3.23Å; R467-E471 WeakPolarHBondContact O-CB 3.18Å; R467-E471 VanDerWaalsContact O-CG 3.31Å; R467-E471 WeakPolarHBondContact O-CG 3.47Å; R467-E471 PolarHBondContact O-N 2.72Å
468	R	97.5	Very high	97.4	Very high	33 Å²	33	21.3 Å²	21.3	13%	0.125	11%	0.114	C	C	.	.	H	α-helix	trans	-68.4	-39.2	-175	-59.7	-50.4	-165.9	119.3	23.6	112.4	S30 M168 V173 G466 E471 L472	S30-R468 PolarHBondContact O-NH2 3.14Å; M168-R468 HydrophobicContact SD-CG 4.15Å; V173-R468 HydrophobicContact CB-CB 4.37Å; V173-R468 HydrophobicContact CG1-CB 4.16Å; V173-R468 HydrophobicContact CG2-CB 4Å; G466-R468 VanDerWaalsContact C-N 3.33Å; G466-R468 PolarHBondContact O-N 3.4Å; R468-E471 WeakPolarHBondContact CD-OE2 3.46Å; R468-L472 WeakPolarHBondContact O-CB 3.31Å; R468-L472 PolarHBondContact O-N 3.21Å
469	L	97.4	Very high	97.5	Very high	8 Å²	8	20.9 Å²	20.9	4%	0.042	11%	0.109	C	C	.	.	H	α-helix	trans	-66.8	-42.4	176.6	178.1	56	0	0	0	110.9	V173 L176 I180 I215 V218 G466 L472 Q473	V173-L469 HydrophobicContact CG1-CB 4.41Å; L176-L469 HydrophobicContact CD1-CD1 3.75Å; I180-L469 HydrophobicContact CD1-CD1 4.05Å; I215-L469 HydrophobicContact CD1-CD2 3.94Å; V218-L469 HydrophobicContact CG1-CD2 4.07Å; G466-L469 PolarHBondContact O-N 2.73Å; G466-L469 VanDerWaalsContact O-N 3.14Å; L469-L472 PolarHBondContact O-N 3.34Å; L469-Q473 HydrophobicContact CD1-CG 4.28Å; L469-Q473 WeakPolarHBondContact O-CB 3.42Å; L469-Q473 VanDerWaalsContact O-CG 3.25Å; L469-Q473 WeakPolarHBondContact O-CG 3.31Å; L469-Q473 PolarHBondContact O-N 2.66Å; L469-Q473 PolarHBondContact O-NE2 3.49Å; L469-Q473 VanDerWaalsContact O-NE2 3.09Å
470	A	98.2	Very high	97.7	Very high	12 Å²	12	21.6 Å²	21.6	10%	0.099	11%	0.111	C	C	.	.	H	α-helix	trans	-63.3	-47.9	174.4	0	0	0	0	0	111.7	F457 G466 R467 L472 Q473 L474	F457-A470 HydrophobicContact CE1-CB 4.16Å; F457-A470 HydrophobicContact CZ-CB 4.47Å; G466-A470 WeakPolarHBondContact O-CB 3.43Å; G466-A470 PolarHBondContact O-N 3.1Å; R467-A470 PolarHBondContact O-N 2.71Å; A470-L472 VanDerWaalsContact C-N 3.33Å; A470-L472 PolarHBondContact O-N 3.05Å; A470-Q473 PolarHBondContact O-N 2.71Å; A470-L474 WeakPolarHBondContact O-CB 3.42Å; A470-L474 VanDerWaalsContact O-CG 3.24Å; A470-L474 WeakPolarHBondContact O-CG 3.15Å; A470-L474 PolarHBondContact O-N 3.42Å
471	E	98.6	Very high	97.8	Very high	36 Å²	36	21 Å²	21	17%	0.168	10%	0.104	C	C	.	.	H	α-helix	trans	-56.3	-46	175.2	-77.6	172	167.9	0	0	111.4	F457 R467 R468 Q475	F457-E471 HydrophobicContact CE2-CG 4.24Å; F457-E471 HydrophobicContact CZ-CG 4.28Å; R467-E471 HydrophobicContact CG-CG 4.38Å; R467-E471 IonicContact CZ-OE1 3.34Å; R467-E471 IonicContact NE-OE1 2.86Å; R467-E471 PolarHBondContact NE-OE1 2.77Å; R467-E471 IonicContact NE-OE2 3.94Å; R467-E471 IonicContact NH2-OE1 2.89Å; R467-E471 PolarHBondContact NH2-OE1 3.23Å; R467-E471 WeakPolarHBondContact O-CB 3.18Å; R467-E471 VanDerWaalsContact O-CG 3.31Å; R467-E471 WeakPolarHBondContact O-CG 3.47Å; R467-E471 PolarHBondContact O-N 2.72Å; R468-E471 WeakPolarHBondContact CD-OE2 3.46Å; E471-Q475 VanDerWaalsContact O-CB 3.27Å; E471-Q475 WeakPolarHBondContact O-CB 3.46Å; E471-Q475 VanDerWaalsContact O-CD 3.28Å; E471-Q475 WeakPolarHBondContact O-CG 3.48Å; E471-Q475 PolarHBondContact O-N 2.92Å; E471-Q475 PolarHBondContact O-NE2 3.29Å
472	L	98.5	Very high	97.9	Very high	13 Å²	13	15.7 Å²	15.7	7%	0.068	8%	0.081	C	C	.	.	H	α-helix	trans	-62.3	-48.5	177.7	179.4	62.2	0	0	0	111.8	V173 I180 A370 L373 R468 L469 A470 L474 Q475 L476	V173-L472 HydrophobicContact CG1-CB 4.22Å; V173-L472 HydrophobicContact CG1-CD2 3.78Å; V173-L472 WeakPolarHBondContact O-CD2 3.49Å; I180-L472 HydrophobicContact CD1-CD2 3.67Å; I180-L472 HydrophobicContact CD1-CG 3.88Å; A370-L472 HydrophobicContact CB-CD1 4.04Å; L373-L472 HydrophobicContact CD1-CD1 3.72Å; R468-L472 WeakPolarHBondContact O-CB 3.31Å; R468-L472 PolarHBondContact O-N 3.21Å; L469-L472 PolarHBondContact O-N 3.34Å; A470-L472 VanDerWaalsContact C-N 3.33Å; A470-L472 PolarHBondContact O-N 3.05Å; L472-L474 PolarHBondContact O-N 3.38Å; L472-Q475 PolarHBondContact O-N 2.91Å; L472-L476 HydrophobicContact CD1-CD1 3.75Å; L472-L476 HydrophobicContact CD1-CG 3.97Å; L472-L476 HydrophobicContact CG-CD1 3.9Å; L472-L476 HydrophobicContact CG-CG 4.46Å; L472-L476 WeakPolarHBondContact O-CB 3.31Å; L472-L476 WeakPolarHBondContact O-CG 3.32Å; L472-L476 PolarHBondContact O-N 3.38Å
473	Q	98.3	Very high	97.9	Very high	3 Å²	3	17.2 Å²	17.2	1%	0.014	9%	0.087	C	C	.	.	H	α-helix	trans	-58.7	-48.9	178.9	-74.4	172.3	100.3	0	0	111.8	I180 W210 T214 T333 L469 A470 L476 A477	I180-Q473 HydrophobicContact CD1-CG 3.77Å; I180-Q473 HydrophobicContact CG1-CG 4.05Å; I180-Q473 HydrophobicContact CG2-CG 4.2Å; W210-Q473 HydrophobicContact CZ2-CB 4.44Å; T214-Q473 HydrophobicContact CG2-CG 4.01Å; T333-Q473 HydrophobicContact CG2-CB 4.3Å; L469-Q473 HydrophobicContact CD1-CG 4.28Å; L469-Q473 WeakPolarHBondContact O-CB 3.42Å; L469-Q473 VanDerWaalsContact O-CG 3.25Å; L469-Q473 WeakPolarHBondContact O-CG 3.31Å; L469-Q473 PolarHBondContact O-N 2.66Å; L469-Q473 PolarHBondContact O-NE2 3.49Å; L469-Q473 VanDerWaalsContact O-NE2 3.09Å; A470-Q473 PolarHBondContact O-N 2.71Å; Q473-L476 PolarHBondContact O-N 3.29Å; Q473-A477 WeakPolarHBondContact O-CB 3.41Å; Q473-A477 PolarHBondContact O-N 3.24Å
474	L	98.8	Very high	97.8	Very high	1 Å²	1	18 Å²	18	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-64.8	-41	-179.5	-69.3	168.5	0	0	0	112.3	W210 T333 M337 L383 M387 A470 L472 A477 L478	W210-L474 HydrophobicContact CH2-CD2 4.45Å; T333-L474 HydrophobicContact CG2-CD2 4Å; T333-L474 HydrophobicContact CG2-CG 4.06Å; T333-L474 WeakPolarHBondContact O-CD2 3.43Å; M337-L474 HydrophobicContact CB-CD2 3.73Å; M337-L474 HydrophobicContact SD-CD2 4.34Å; L383-L474 HydrophobicContact CD1-CB 3.77Å; L383-L474 HydrophobicContact CD2-CB 3.96Å; M387-L474 HydrophobicContact CE-CD1 3.47Å; M387-L474 VanDerWaalsContact CE-CD1 3.47Å; A470-L474 WeakPolarHBondContact O-CB 3.42Å; A470-L474 VanDerWaalsContact O-CG 3.24Å; A470-L474 WeakPolarHBondContact O-CG 3.15Å; A470-L474 PolarHBondContact O-N 3.42Å; L472-L474 PolarHBondContact O-N 3.38Å; L474-A477 PolarHBondContact O-N 2.7Å; L474-L478 WeakPolarHBondContact O-CB 3.26Å; L474-L478 WeakPolarHBondContact O-CG 3.48Å; L474-L478 PolarHBondContact O-N 3.08Å
475	Q	98.7	Very high	97.7	Very high	22 Å²	22	16.2 Å²	16.2	10%	0.103	8%	0.078	C	C	.	.	H	α-helix	trans	-67.4	-45.1	178.9	-72.8	166.1	29.8	0	0	111.6	L373 I379 L383 E471 L472 C479	L373-Q475 HydrophobicContact CD1-CB 3.55Å; L373-Q475 HydrophobicContact CD2-CB 3.82Å; L373-Q475 HydrophobicContact CG-CB 4.28Å; I379-Q475 VanDerWaalsContact CD1-O 3.23Å; I379-Q475 WeakPolarHBondContact CD1-O 3.3Å; L383-Q475 HydrophobicContact CD1-CB 4.32Å; L383-Q475 HydrophobicContact CD1-CG 3.4Å; L383-Q475 VanDerWaalsContact CD1-CG 3.4Å; E471-Q475 VanDerWaalsContact O-CB 3.27Å; E471-Q475 WeakPolarHBondContact O-CB 3.46Å; E471-Q475 VanDerWaalsContact O-CD 3.28Å; E471-Q475 WeakPolarHBondContact O-CG 3.48Å; E471-Q475 PolarHBondContact O-N 2.92Å; E471-Q475 PolarHBondContact O-NE2 3.29Å; L472-Q475 PolarHBondContact O-N 2.91Å; Q475-C479 WeakPolarHBondContact O-CB 3.2Å; Q475-C479 PolarHBondContact O-N 3.48Å
476	L	98.6	Very high	97.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.3	-44.2	174.9	-68.5	173.5	0	0	0	110.5	D177 I180 L184 P368 L373 L472 Q473 L478 C479 W480	D177-L476 HydrophobicContact CB-CD1 3.92Å; I180-L476 HydrophobicContact CB-CD1 4.05Å; I180-L476 HydrophobicContact CD1-CD1 4.4Å; I180-L476 HydrophobicContact CG2-CB 4.34Å; I180-L476 HydrophobicContact CG2-CD1 3.73Å; L184-L476 HydrophobicContact CD1-CB 3.54Å; P368-L476 HydrophobicContact CB-CD2 3.75Å; L373-L476 HydrophobicContact CD1-CD2 3.74Å; L373-L476 HydrophobicContact CD1-CG 3.87Å; L373-L476 HydrophobicContact CG-CD2 4.23Å; L472-L476 HydrophobicContact CD1-CD1 3.75Å; L472-L476 HydrophobicContact CD1-CG 3.97Å; L472-L476 HydrophobicContact CG-CD1 3.9Å; L472-L476 HydrophobicContact CG-CG 4.46Å; L472-L476 WeakPolarHBondContact O-CB 3.31Å; L472-L476 WeakPolarHBondContact O-CG 3.32Å; L472-L476 PolarHBondContact O-N 3.38Å; Q473-L476 PolarHBondContact O-N 3.29Å; L476-L478 PolarHBondContact O-N 2.88Å; L476-C479 WeakPolarHBondContact O-CB 3.48Å; L476-C479 PolarHBondContact O-N 3.27Å; L476-C479 VanDerWaalsContact O-N 3.15Å; L476-W480 VanDerWaalsContact O-CD1 3.27Å; L476-W480 PolarHBondContact O-N 3.24Å
477	A	98.6	Very high	97.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.2	-49.3	179.2	0	0	0	0	0	112.6	L184 W210 M337 Q473 L474 C479 W480 V481	L184-A477 HydrophobicContact CD1-CB 4.44Å; L184-A477 HydrophobicContact CD2-CB 3.67Å; W210-A477 HydrophobicContact CH2-CB 3.74Å; W210-A477 HydrophobicContact CZ2-CB 3.54Å; M337-A477 HydrophobicContact CE-CB 3.76Å; M337-A477 HydrophobicContact SD-CB 3.89Å; Q473-A477 WeakPolarHBondContact O-CB 3.41Å; Q473-A477 PolarHBondContact O-N 3.24Å; L474-A477 PolarHBondContact O-N 2.7Å; A477-C479 VanDerWaalsContact C-N 3.29Å; A477-C479 PolarHBondContact O-N 3.26Å; A477-W480 PolarHBondContact O-N 3.15Å; A477-V481 WeakPolarHBondContact O-CB 3.24Å; A477-V481 WeakPolarHBondContact O-CG2 3.16Å; A477-V481 PolarHBondContact O-N 2.99Å
478	L	98.4	Very high	97.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.7	-39.8	174.9	-79	-179.1	0	0	0	111.8	M337 A340 L344 I379 L383 L474 L476 W480 I482	M337-L478 HydrophobicContact CE-CD2 3.77Å; M337-L478 HydrophobicContact CE-CG 4.14Å; M337-L478 HydrophobicContact SD-CD2 3.95Å; M337-L478 HydrophobicContact SD-CG 3.97Å; A340-L478 HydrophobicContact CB-CD1 4.33Å; A340-L478 HydrophobicContact CB-CD2 4.24Å; L344-L478 HydrophobicContact CD1-CD2 3.66Å; I379-L478 HydrophobicContact CD1-CB 3.83Å; I379-L478 HydrophobicContact CG1-CB 4.14Å; I379-L478 HydrophobicContact CG1-CD1 4.25Å; L383-L478 HydrophobicContact CD1-CD1 4.2Å; L383-L478 HydrophobicContact CD2-CD1 3.45Å; L383-L478 VanDerWaalsContact CD2-CD1 3.45Å; L383-L478 HydrophobicContact CD2-CG 4.42Å; L383-L478 HydrophobicContact CG-CD1 3.64Å; L474-L478 WeakPolarHBondContact O-CB 3.26Å; L474-L478 WeakPolarHBondContact O-CG 3.48Å; L474-L478 PolarHBondContact O-N 3.08Å; L476-L478 PolarHBondContact O-N 2.88Å; L478-W480 PolarHBondContact O-N 3.22Å; L478-I482 VanDerWaalsContact O-CB 3.25Å; L478-I482 WeakPolarHBondContact O-CB 3.07Å; L478-I482 VanDerWaalsContact O-CG1 3.25Å; L478-I482 WeakPolarHBondContact O-CG1 3.35Å; L478-I482 PolarHBondContact O-N 3.04Å
479	C	97.8	Very high	97.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.1	-44.8	177.5	-170.2	0	0	0	0	111.7	P368 I379 Q475 L476 A477 R483	P368-C479 HydrophobicContact CB-CB 4.27Å; P368-C479 HydrophobicContact CG-CB 4.24Å; I379-C479 HydrophobicContact CD1-CB 4.09Å; Q475-C479 WeakPolarHBondContact O-CB 3.2Å; Q475-C479 PolarHBondContact O-N 3.48Å; L476-C479 WeakPolarHBondContact O-CB 3.48Å; L476-C479 PolarHBondContact O-N 3.27Å; L476-C479 VanDerWaalsContact O-N 3.15Å; A477-C479 VanDerWaalsContact C-N 3.29Å; A477-C479 PolarHBondContact O-N 3.26Å; C479-R483 WeakPolarHBondContact O-CB 3.48Å; C479-R483 PolarHBondContact O-N 2.71Å
480	W	97.5	Very high	97.8	Very high	29 Å²	29	20.8 Å²	20.8	11%	0.11	11%	0.111	C	C	.	.	H	α-helix	trans	-64.3	-51.9	176.9	-89.9	94.6	0	0	0	112	N181 L184 A185 V188 T367 P368 L476 A477 L478 R483 D484	N181-W480 PolarHBondContact OD1-NE1 3.14Å; L184-W480 HydrophobicContact CB-CD2 4.29Å; L184-W480 HydrophobicContact CB-CG 4.07Å; L184-W480 HydrophobicContact CD1-CG 4.41Å; A185-W480 HydrophobicContact CB-CH2 3.72Å; A185-W480 HydrophobicContact CB-CZ2 4.22Å; A185-W480 HydrophobicContact CB-CZ3 4.22Å; V188-W480 HydrophobicContact CB-CE3 4.24Å; V188-W480 HydrophobicContact CG1-CE3 4.46Å; V188-W480 HydrophobicContact CG2-CB 3.86Å; V188-W480 HydrophobicContact CG2-CD2 4.41Å; V188-W480 HydrophobicContact CG2-CE3 3.9Å; V188-W480 HydrophobicContact CG2-CG 4.46Å; T367-W480 HydrophobicContact CG2-CZ2 3.84Å; P368-W480 HydrophobicContact CG-CD2 4.49Å; P368-W480 HydrophobicContact CG-CG 4.21Å; L476-W480 VanDerWaalsContact O-CD1 3.27Å; L476-W480 PolarHBondContact O-N 3.24Å; A477-W480 PolarHBondContact O-N 3.15Å; L478-W480 PolarHBondContact O-N 3.22Å; W480-R483 VanDerWaalsContact CZ3-NH2 3.26Å; W480-D484 PolarHBondContact O-N 2.55Å
481	V	97.6	Very high	97.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.3	-49.2	-175.9	173.1	0	0	0	0	111.4	F187 I191 M337 A477 R483 D484 Y485 I487 F513	F187-V481 HydrophobicContact CE1-CG2 4.48Å; I191-V481 HydrophobicContact CD1-CG2 4.1Å; M337-V481 HydrophobicContact CE-CB 4.46Å; M337-V481 HydrophobicContact CE-CG2 4.04Å; A477-V481 WeakPolarHBondContact O-CB 3.24Å; A477-V481 WeakPolarHBondContact O-CG2 3.16Å; A477-V481 PolarHBondContact O-N 2.99Å; V481-R483 VanDerWaalsContact C-N 3.31Å; V481-R483 PolarHBondContact O-N 3.31Å; V481-D484 PolarHBondContact O-N 2.68Å; V481-Y485 WeakPolarHBondContact O-CA 3.48Å; V481-Y485 WeakPolarHBondContact O-CB 3.47Å; V481-Y485 PolarHBondContact O-N 3.38Å; V481-I487 HydrophobicContact CG1-CD1 3.92Å; V481-I487 HydrophobicContact CG1-CG1 4.32Å; V481-F513 HydrophobicContact CG1-CD1 4.13Å; V481-F513 HydrophobicContact CG1-CE1 3.85Å
482	I	98	Very high	97.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-69.7	-29.8	-175.5	-63.1	-61	0	0	0	112.3	L344 Q351 L354 L355 I358 L478 D484 I487	L344-I482 HydrophobicContact CD1-CD1 4.09Å; L344-I482 HydrophobicContact CD1-CG1 4.43Å; Q351-I482 HydrophobicContact CG-CD1 3.86Å; L354-I482 HydrophobicContact CD2-CG1 4.02Å; L354-I482 HydrophobicContact CD2-CG2 4.48Å; L354-I482 HydrophobicContact CG-CG2 4.28Å; L355-I482 HydrophobicContact CB-CG2 3.97Å; L355-I482 HydrophobicContact CD1-CG2 4.34Å; L355-I482 WeakPolarHBondContact CD1-O 3.41Å; I358-I482 HydrophobicContact CD1-CB 3.86Å; I358-I482 HydrophobicContact CD1-CG2 3.8Å; L478-I482 VanDerWaalsContact O-CB 3.25Å; L478-I482 WeakPolarHBondContact O-CB 3.07Å; L478-I482 VanDerWaalsContact O-CG1 3.25Å; L478-I482 WeakPolarHBondContact O-CG1 3.35Å; L478-I482 PolarHBondContact O-N 3.04Å; I482-D484 VanDerWaalsContact C-N 3.35Å; I482-I487 HydrophobicContact CD1-CD1 3.61Å; I482-I487 HydrophobicContact CD1-CG1 4.1Å
483	R	95.6	Very high	97.3	Very high	41 Å²	41	30.6 Å²	30.6	16%	0.155	17%	0.167	C	C	.	.	H	α-helix	trans	-62.6	-43.8	175.3	-175.4	-172.8	66.8	-166.4	-8.5	111.4	I358 Q366 C479 W480 V481	I358-R483 HydrophobicContact CG2-CB 4.27Å; Q366-R483 PolarHBondContact O-NH1 3.48Å; C479-R483 WeakPolarHBondContact O-CB 3.48Å; C479-R483 PolarHBondContact O-N 2.71Å; W480-R483 VanDerWaalsContact CZ3-NH2 3.26Å; V481-R483 VanDerWaalsContact C-N 3.31Å; V481-R483 PolarHBondContact O-N 3.31Å
484	D	94.9	Very high	97	Very high	47 Å²	47	35 Å²	35	25%	0.251	20%	0.196	S	C	.	.	H	α-helix	trans	-100.3	-19.8	-168	-59.6	-10.7	0	0	0	112.6	V188 W480 V481 I482 R516	V188-D484 HydrophobicContact CG1-CB 4.35Å; W480-D484 PolarHBondContact O-N 2.55Å; V481-D484 PolarHBondContact O-N 2.68Å; I482-D484 VanDerWaalsContact C-N 3.35Å; D484-R516 PolarHBondContact O-N 3.09Å
485	Y	97.3	Very high	96.9	Very high	11 Å²	11	36.1 Å²	36.1	4%	0.043	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	146.5	-177.3	-66.6	-90.2	0	0	0	113.3	V188 I191 G192 V481 F513 I514 R515 R516	V188-Y485 HydrophobicContact CG1-CE2 4.04Å; I191-Y485 HydrophobicContact CB-CE2 4.13Å; I191-Y485 HydrophobicContact CD1-CD2 4.39Å; I191-Y485 HydrophobicContact CD1-CE2 4.25Å; I191-Y485 HydrophobicContact CG2-CD1 4.29Å; I191-Y485 HydrophobicContact CG2-CD2 4.46Å; I191-Y485 HydrophobicContact CG2-CE1 3.79Å; I191-Y485 HydrophobicContact CG2-CE2 3.99Å; G192-Y485 WeakPolarHBondContact CA-OH 3.34Å; G192-Y485 PolarHBondContact N-OH 2.8Å; G192-Y485 VanDerWaalsContact N-OH 3.16Å; V481-Y485 WeakPolarHBondContact O-CA 3.48Å; V481-Y485 WeakPolarHBondContact O-CB 3.47Å; V481-Y485 PolarHBondContact O-N 3.38Å; Y485-F513 HydrophobicContact CD1-CB 3.73Å; Y485-F513 HydrophobicContact CE1-CB 4.3Å; Y485-F513 HydrophobicContact CG-CB 4.24Å; Y485-I514 CarbonylContact C-O 3.59Å; Y485-I514 WeakPolarHBondContact CA-O 3.46Å; Y485-R515 HydrophobicContact CD1-CB 4.3Å; Y485-R515 HydrophobicContact CE1-CB 4.06Å; Y485-R515 HydrophobicContact CE1-CG 4.45Å; Y485-R516 PolarHBondContact O-NE 3.22Å
486	E	98	Very high	96.7	Very high	77 Å²	77	39.4 Å²	39.4	36%	0.36	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	128.3	156.3	-167.3	154.2	175.9	0	0	109.8	V488 F513 I514 R516	E486-V488 HydrophobicContact CG-CG1 3.83Å; E486-F513 CarbonylContact O-C 3.59Å; E486-F513 WeakPolarHBondContact O-CA 3.45Å; E486-I514 HydrophobicContact CB-CB 4.25Å; E486-I514 PolarHBondContact N-O 3.01Å; E486-I514 PolarHBondContact O-N 2.84Å; E486-R516 VanDerWaalsContact CA-NH2 3.29Å; E486-R516 IonicContact OE2-CZ 3.97Å; E486-R516 IonicContact OE2-NH1 2.79Å; E486-R516 PolarHBondContact OE2-NH1 2.9Å; E486-R516 IonicContact OE2-NH2 2.68Å; E486-R516 PolarHBondContact OE2-NH2 3.45Å
487	I	98.1	Very high	96.5	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	113	174.4	-47.9	174.8	0	0	0	107.5	I341 Q351 V481 I482 V511 A512 F513	I341-I487 HydrophobicContact CB-CD1 4.44Å; I341-I487 HydrophobicContact CG1-CD1 4.16Å; I341-I487 HydrophobicContact CG2-CD1 4.21Å; I341-I487 HydrophobicContact CG2-CG2 3.82Å; Q351-I487 PolarHBondContact NE2-O 2.81Å; V481-I487 HydrophobicContact CG1-CD1 3.92Å; V481-I487 HydrophobicContact CG1-CG1 4.32Å; I482-I487 HydrophobicContact CD1-CD1 3.61Å; I482-I487 HydrophobicContact CD1-CG1 4.1Å; I487-V511 HydrophobicContact CG2-CB 4.24Å; I487-A512 CarbonylContact C-O 3.53Å; I487-A512 WeakPolarHBondContact CA-O 3.42Å; I487-F513 HydrophobicContact CD1-CE1 4.23Å; I487-F513 HydrophobicContact CG1-CD1 4.16Å; I487-F513 HydrophobicContact CG1-CE1 4.12Å
488	V	97.9	Very high	96.3	Very high	45 Å²	45	42.2 Å²	42.2	27%	0.273	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	146	-179.8	-58.2	0	0	0	0	110.5	E486 V511 A512 I514	E486-V488 HydrophobicContact CG-CG1 3.83Å; V488-V511 CarbonylContact O-C 3.58Å; V488-V511 VanDerWaalsContact O-CA 3.28Å; V488-V511 WeakPolarHBondContact O-CA 3.28Å; V488-A512 HydrophobicContact CG2-CB 3.77Å; V488-A512 PolarHBondContact N-O 3.18Å; V488-A512 PolarHBondContact O-N 2.96Å; V488-I514 HydrophobicContact CG1-CG1 4.17Å; V488-I514 HydrophobicContact CG2-CD1 4.32Å; V488-I514 HydrophobicContact CG2-CG1 3.91Å
489	A	97.5	Very high	96	Very high	38 Å²	38	43.9 Å²	43.9	31%	0.314	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	136.4	170	0	0	0	0	0	109.8	P510	A489-P510 CarbonylContact C-O 3.44Å; A489-P510 VanDerWaalsContact CA-O 3.29Å; A489-P510 WeakPolarHBondContact CA-O 3.42Å
490	T	96.8	Very high	95.4	Very high	60 Å²	60	47.6 Å²	47.6	37%	0.368	27%	0.268	S	S	.	.	S	Bend	trans	-95.8	-18.9	-177.9	56	0	0	0	0	113.5	Q199 P510 A512	Q199-T490 HydrophobicContact CG-CG2 4.01Å; T490-P510 PolarHBondContact N-O 2.86Å; T490-P510 WeakPolarHBondContact OG1-CA 3.25Å; T490-P510 WeakPolarHBondContact OG1-CB 3.44Å; T490-P510 PolarHBondContact OG1-O 3.21Å; T490-A512 HydrophobicContact CG2-CB 3.65Å
491	D	95.4	Very high	94.7	Very high	52 Å²	52	49.1 Å²	49.1	28%	0.278	29%	0.292	S	S	.	.			trans	-140.2	176.1	170.7	71.5	39.4	0	0	0	110.1	R346 E493 R507 P510	R346-D491 PolarHBondContact NH1-O 2.95Å; R346-D491 PolarHBondContact NH2-O 3.43Å; R346-D491 IonicContact NH2-OD1 3.42Å; R346-D491 PolarHBondContact NH2-OD1 2.89Å; D491-E493 PolarHBondContact OD1-N 3.02Å; D491-R507 IonicContact OD1-CZ 3.4Å; D491-R507 IonicContact OD1-NH2 3.97Å; D491-R507 PolarHBondContact OD1-NH2 2.86Å; D491-R507 IonicContact OD2-CZ 2.69Å; D491-R507 IonicContact OD2-NH1 2.68Å; D491-R507 PolarHBondContact OD2-NH1 3.34Å; D491-R507 IonicContact OD2-NH2 2.65Å; D491-R507 PolarHBondContact OD2-NH2 3.18Å; D491-P510 HydrophobicContact CB-CB 4.24Å; D491-P510 VanDerWaalsContact OD1-CB 3.26Å; D491-P510 WeakPolarHBondContact OD1-CB 3.46Å; D491-P510 VanDerWaalsContact OD1-CG 3.28Å; D491-P510 WeakPolarHBondContact OD1-CG 3.4Å; D491-P510 WeakPolarHBondContact OD2-CB 3.46Å
492	S	93.9	Very high	94.4	Very high	98 Å²	98	49.6 Å²	49.6	69%	0.685	30%	0.295	S	S	*	.			trans	-109.8	6.4	171.9	53.2	0	0	0	0	114.4
493	E	95.7	Very high	94.3	Very high	117 Å²	117	49.6 Å²	49.6	55%	0.547	30%	0.295	S	S	.	.			trans	-71.4	145.5	-172.2	-65.6	-53	127.7	0	0	111.4	R346 D491 V495 R507	R346-E493 PolarHBondContact NH2-O 2.8Å; D491-E493 PolarHBondContact OD1-N 3.02Å; E493-V495 PolarHBondContact O-N 3Å; E493-R507 PolarHBondContact O-NH2 3.1Å
494	P	92.5	Very high	94.2	Very high	95 Å²	95	48.4 Å²	48.4	62%	0.617	29%	0.292	S	S	*	.			trans	-53.4	137.4	176.3	-25.2	34.3	0	0	0	111.9	R507	P494-R507 PolarHBondContact O-NE 3.32Å
495	V	96.1	Very high	94.3	Very high	25 Å²	25	47 Å²	47	15%	0.152	29%	0.286	C	S	.	.			trans	-110.6	119.5	167.5	177.7	0	0	0	0	106.3	W339 F342 E493 P505 L509 P510	W339-V495 HydrophobicContact CH2-CG1 4.35Å; W339-V495 HydrophobicContact CZ3-CG1 4.37Å; F342-V495 HydrophobicContact CE1-CB 4.43Å; F342-V495 HydrophobicContact CE2-CB 4.07Å; F342-V495 HydrophobicContact CE2-CG2 3.59Å; F342-V495 HydrophobicContact CZ-CB 3.76Å; F342-V495 HydrophobicContact CZ-CG2 3.75Å; E493-V495 PolarHBondContact O-N 3Å; V495-P505 HydrophobicContact CG1-CB 3.9Å; V495-L509 HydrophobicContact CG1-CD2 3.97Å; V495-P510 HydrophobicContact CG2-CG 4.09Å
496	E	93.9	Very high	94.2	Very high	92 Å²	92	49.6 Å²	49.6	43%	0.43	30%	0.3	S	S	.	.			trans	-98.6	158.4	-179.8	-54.3	-174.4	156.8	0	0	110.9	R82 P505 N506	R82-E496 IonicContact CZ-OE2 3.16Å; R82-E496 VanDerWaalsContact NH1-CB 3.29Å; R82-E496 IonicContact NH1-OE2 2.81Å; R82-E496 PolarHBondContact NH1-OE2 3.4Å; R82-E496 IonicContact NH2-OE2 3.33Å; R82-E496 PolarHBondContact NH2-OE2 3.39Å; E496-P505 CarbonylContact O-C 3.5Å; E496-N506 HydrophobicContact CB-CB 4.33Å; E496-N506 PolarHBondContact N-OD1 3.26Å; E496-N506 PolarHBondContact O-N 2.54Å; E496-N506 PolarHBondContact O-OD1 3.16Å
497	T	94.8	Very high	94	Very high	23 Å²	23	49.6 Å²	49.6	14%	0.141	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	137.8	175.7	48.5	0	0	0	0	111.2	R82 H84 W339	R82-T497 PolarHBondContact NH1-O 2.96Å; H84-T497 PolarHBondContact CD2-OG1 3.22Å; H84-T497 PolarHBondContact CE1-O 3.33Å; H84-T497 PolarHBondContact NE2-O 3.25Å; H84-T497 PolarHBondContact NE2-OG1 2.93Å; W339-T497 HydrophobicContact CH2-CG2 3.62Å; W339-T497 HydrophobicContact CZ2-CG2 3.68Å
498	I	94.6	Very high	93.9	Very high	36 Å²	36	53.1 Å²	53.1	19%	0.185	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	143.1	168.5	60.2	172.7	0	0	0	109.8	Q81 L503 V504 N506	Q81-I498 CarbonylContact O-C 3.56Å; I498-L503 WeakPolarHBondContact O-CA 3.37Å; I498-V504 HydrophobicContact CD1-CG2 3.95Å; I498-V504 HydrophobicContact CG1-CG2 3.54Å; I498-V504 WeakPolarHBondContact CG1-O 3.37Å; I498-V504 PolarHBondContact N-O 3.4Å; I498-V504 PolarHBondContact O-N 2.94Å; I498-N506 HydrophobicContact CG2-CB 3.97Å
499	H	91.7	Very high	93.8	Very high	35 Å²	35	51.5 Å²	51.5	16%	0.162	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	108.1	176.2	-173	-162.2	0	0	0	109.8	Q81 F395 G501 L503	Q81-H499 PolarHBondContact O-N 2.92Å; F395-H499 AromaticContact CZ-CE1 3.61Å; H499-G501 PolarHBondContact CD2-O 3.29Å; H499-G501 PolarHBondContact NE2-O 3.47Å; H499-L503 HydrophobicContact CB-CD2 3.88Å
500	S	85.8	Confident	93.7	Very high	78 Å²	78	49.9 Å²	49.9	55%	0.545	29%	0.289	S	S	.	.	S	Bend	trans	-129.6	67.3	175.2	-178.7	0	0	0	0	108.9	T502	S500-T502 PolarHBondContact N-O 2.63Å; S500-T502 PolarHBondContact O-N 2.8Å
501	G	83.4	Confident	93.8	Very high	60 Å²	60	47.2 Å²	47.2	62%	0.619	27%	0.273	S	S	*	.	S	Bend	trans	79.9	-59.4	-167.5	0	0	0	0	0	111.7	H499	H499-G501 PolarHBondContact CD2-O 3.29Å; H499-G501 PolarHBondContact NE2-O 3.47Å
502	T	90.8	Very high	93.9	Very high	10 Å²	10	45 Å²	45	6%	0.061	26%	0.262	C	S	.	.	S	Bend	trans	-108.2	170	167.9	65.8	0	0	0	0	111	T332 N335 S392 S500 V504	T332-T502 HydrophobicContact CG2-CG2 4.23Å; N335-T502 PolarHBondContact ND2-OG1 3.38Å; S392-T502 CarbonylContact O-C 3.42Å; S392-T502 VanDerWaalsContact O-CA 3.26Å; S392-T502 WeakPolarHBondContact O-CA 3.27Å; S392-T502 WeakPolarHBondContact O-CB 3.41Å; S500-T502 PolarHBondContact N-O 2.63Å; S500-T502 PolarHBondContact O-N 2.8Å; T502-V504 PolarHBondContact O-N 3.3Å
503	L	94.9	Very high	94.1	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	110.3	171	-65.6	-166.3	0	0	0	110.1	H84 N335 W339 P391 S392 P394 I498 H499	H84-L503 HydrophobicContact CB-CD1 4.49Å; H84-L503 HydrophobicContact CB-CD2 4.05Å; H84-L503 WeakPolarHBondContact ND1-CD2 3.5Å; N335-L503 PolarHBondContact ND2-O 3.14Å; N335-L503 PolarHBondContact OD1-O 3.12Å; W339-L503 PolarHBondContact NE1-O 3.43Å; P391-L503 HydrophobicContact CG-CD1 4.26Å; P391-L503 WeakPolarHBondContact O-CB 3.49Å; P391-L503 WeakPolarHBondContact O-CD1 3.48Å; S392-L503 PolarHBondContact O-N 3.23Å; P394-L503 HydrophobicContact CB-CD1 3.96Å; P394-L503 HydrophobicContact CB-CD2 4.09Å; P394-L503 HydrophobicContact CB-CG 3.96Å; P394-L503 HydrophobicContact CG-CD2 3.91Å; P394-L503 HydrophobicContact CG-CG 4.02Å; I498-L503 WeakPolarHBondContact O-CA 3.37Å; H499-L503 HydrophobicContact CB-CD2 3.88Å
504	V	95.1	Very high	94.1	Very high	16 Å²	16	38.8 Å²	38.8	10%	0.097	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	158.9	178.8	-60.1	0	0	0	0	110.4	Y204 I498 T502	Y204-V504 HydrophobicContact CE1-CG1 4.18Å; I498-V504 HydrophobicContact CD1-CG2 3.95Å; I498-V504 HydrophobicContact CG1-CG2 3.54Å; I498-V504 WeakPolarHBondContact CG1-O 3.37Å; I498-V504 PolarHBondContact N-O 3.4Å; I498-V504 PolarHBondContact O-N 2.94Å; T502-V504 PolarHBondContact O-N 3.3Å
505	P	96.4	Very high	94.2	Very high	17 Å²	17	43.7 Å²	43.7	11%	0.11	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	148.4	172.1	-24.5	35.6	0	0	0	112.1	L338 W339 V495 E496 R507 L509	L338-P505 HydrophobicContact CD2-CG 3.72Å; W339-P505 HydrophobicContact CH2-CB 4.14Å; W339-P505 HydrophobicContact CH2-CG 3.69Å; W339-P505 HydrophobicContact CZ2-CB 4.46Å; W339-P505 HydrophobicContact CZ2-CG 3.74Å; W339-P505 HydrophobicContact CZ3-CG 4.25Å; V495-P505 HydrophobicContact CG1-CB 3.9Å; E496-P505 CarbonylContact O-C 3.5Å; P505-R507 VanDerWaalsContact C-N 3.26Å; P505-R507 WeakPolarHBondContact CB-O 3.37Å; P505-R507 PolarHBondContact O-N 3.29Å; P505-L509 HydrophobicContact CB-CD2 3.98Å; P505-L509 HydrophobicContact CG-CD2 3.67Å; P505-L509 HydrophobicContact CG-CG 4.13Å
506	N	95.1	Very high	94.1	Very high	66 Å²	66	48.5 Å²	48.5	35%	0.353	25%	0.245	S	C	.	.	S	Bend	trans	-75.2	-13.8	173.9	71.2	-40.9	0	0	0	113.9	E496 I498	E496-N506 HydrophobicContact CB-CB 4.33Å; E496-N506 PolarHBondContact N-OD1 3.26Å; E496-N506 PolarHBondContact O-N 2.54Å; E496-N506 PolarHBondContact O-OD1 3.16Å; I498-N506 HydrophobicContact CG2-CB 3.97Å
507	R	94.7	Very high	94.1	Very high	77 Å²	77	46.3 Å²	46.3	29%	0.291	24%	0.236	S	C	.	.	S	Bend	trans	-149.2	167.6	-179.5	65.8	178	-176.7	99.4	-10	110.2	D491 E493 P494 P505	D491-R507 IonicContact OD1-CZ 3.4Å; D491-R507 IonicContact OD1-NH2 3.97Å; D491-R507 PolarHBondContact OD1-NH2 2.86Å; D491-R507 IonicContact OD2-CZ 2.69Å; D491-R507 IonicContact OD2-NH1 2.68Å; D491-R507 PolarHBondContact OD2-NH1 3.34Å; D491-R507 IonicContact OD2-NH2 2.65Å; D491-R507 PolarHBondContact OD2-NH2 3.18Å; E493-R507 PolarHBondContact O-NH2 3.1Å; P494-R507 PolarHBondContact O-NE 3.32Å; P505-R507 VanDerWaalsContact C-N 3.26Å; P505-R507 WeakPolarHBondContact CB-O 3.37Å; P505-R507 PolarHBondContact O-N 3.29Å
508	E	95.2	Very high	94.1	Very high	75 Å²	75	47.5 Å²	47.5	35%	0.35	24%	0.241	S	C	.	.			trans	-55.9	140.5	172.3	-171.3	56.2	-149.4	0	0	110.9	L203	L203-E508 VanDerWaalsContact CB-OE1 3.27Å; L203-E508 WeakPolarHBondContact CB-OE1 3.42Å; L203-E508 PolarHBondContact N-OE1 2.94Å
509	L	95.6	Very high	94	Very high	10 Å²	10	48.2 Å²	48.2	5%	0.052	24%	0.244	C	C	.	.			trans	-70.2	133	-176.6	-76	-167.9	0	0	0	111	L203 L338 F342 V495 P505 V511	L203-L509 HydrophobicContact CD2-CD1 4.46Å; L338-L509 HydrophobicContact CD1-CD1 3.46Å; L338-L509 VanDerWaalsContact CD1-CD1 3.46Å; L338-L509 HydrophobicContact CD1-CG 4.03Å; L338-L509 HydrophobicContact CD2-CD1 4.48Å; L338-L509 HydrophobicContact CG-CD1 3.58Å; L338-L509 HydrophobicContact CG-CG 4.24Å; L338-L509 WeakPolarHBondContact O-CD1 3.41Å; F342-L509 HydrophobicContact CB-CD1 3.71Å; F342-L509 HydrophobicContact CB-CD2 4.23Å; F342-L509 HydrophobicContact CD2-CD1 4.43Å; F342-L509 HydrophobicContact CD2-CD2 3.75Å; F342-L509 HydrophobicContact CE2-CD2 4.37Å; F342-L509 HydrophobicContact CG-CD1 4.42Å; F342-L509 HydrophobicContact CG-CD2 4.07Å; V495-L509 HydrophobicContact CG1-CD2 3.97Å; P505-L509 HydrophobicContact CB-CD2 3.98Å; P505-L509 HydrophobicContact CG-CD2 3.67Å; P505-L509 HydrophobicContact CG-CG 4.13Å; L509-V511 HydrophobicContact CB-CG1 4.34Å; L509-V511 HydrophobicContact CB-CG2 4.02Å; L509-V511 PolarHBondContact O-N 3.2Å
510	P	96.4	Very high	94.2	Very high	4 Å²	4	48.9 Å²	48.9	3%	0.026	25%	0.249	C	C	.	.			trans	-80.9	71.3	178.9	35.2	-37.7	0	0	0	110.7	F342 A489 T490 D491 V495	F342-P510 HydrophobicContact CE2-CG 4.27Å; A489-P510 CarbonylContact C-O 3.44Å; A489-P510 VanDerWaalsContact CA-O 3.29Å; A489-P510 WeakPolarHBondContact CA-O 3.42Å; T490-P510 PolarHBondContact N-O 2.86Å; T490-P510 WeakPolarHBondContact OG1-CA 3.25Å; T490-P510 WeakPolarHBondContact OG1-CB 3.44Å; T490-P510 PolarHBondContact OG1-O 3.21Å; D491-P510 HydrophobicContact CB-CB 4.24Å; D491-P510 VanDerWaalsContact OD1-CB 3.26Å; D491-P510 WeakPolarHBondContact OD1-CB 3.46Å; D491-P510 VanDerWaalsContact OD1-CG 3.28Å; D491-P510 WeakPolarHBondContact OD1-CG 3.4Å; D491-P510 WeakPolarHBondContact OD2-CB 3.46Å; V495-P510 HydrophobicContact CG2-CG 4.09Å
511	V	97.4	Very high	94.7	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.03	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141.5	-176.7	-59.8	0	0	0	0	112.2	L203 I341 S345 I487 V488 L509 F513	L203-V511 HydrophobicContact CD2-CG2 3.63Å; I341-V511 HydrophobicContact CG2-CB 4.48Å; I341-V511 HydrophobicContact CG2-CG1 4.45Å; I341-V511 HydrophobicContact CG2-CG2 4.08Å; S345-V511 VanDerWaalsContact OG-CG1 3.31Å; S345-V511 WeakPolarHBondContact OG-CG1 3.42Å; I487-V511 HydrophobicContact CG2-CB 4.24Å; V488-V511 CarbonylContact O-C 3.58Å; V488-V511 VanDerWaalsContact O-CA 3.28Å; V488-V511 WeakPolarHBondContact O-CA 3.28Å; L509-V511 HydrophobicContact CB-CG1 4.34Å; L509-V511 HydrophobicContact CB-CG2 4.02Å; L509-V511 PolarHBondContact O-N 3.2Å; V511-F513 HydrophobicContact CG2-CE2 4.23Å
512	A	97.4	Very high	95.5	Very high	4 Å²	4	46.3 Å²	46.3	3%	0.033	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	149.7	170.5	0	0	0	0	0	110.9	G198 Q199 I487 V488 T490 I514	G198-A512 CarbonylContact O-C 3.59Å; G198-A512 VanDerWaalsContact O-CA 3.3Å; G198-A512 WeakPolarHBondContact O-CA 3.42Å; Q199-A512 HydrophobicContact CG-CB 3.68Å; I487-A512 CarbonylContact C-O 3.53Å; I487-A512 WeakPolarHBondContact CA-O 3.42Å; V488-A512 HydrophobicContact CG2-CB 3.77Å; V488-A512 PolarHBondContact N-O 3.18Å; V488-A512 PolarHBondContact O-N 2.96Å; T490-A512 HydrophobicContact CG2-CB 3.65Å; A512-I514 HydrophobicContact CB-CD1 4.37Å
513	F	98.1	Very high	95.8	Very high	7 Å²	7	48.9 Å²	48.9	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	105.1	179.6	-64.2	-101.3	0	0	0	108.9	I191 G198 F200 L203 I341 V481 Y485 E486 I487 V511	I191-F513 HydrophobicContact CG2-CB 3.87Å; I191-F513 HydrophobicContact CG2-CD1 4.24Å; I191-F513 HydrophobicContact CG2-CG 4.02Å; G198-F513 WeakPolarHBondContact CA-O 3.45Å; G198-F513 PolarHBondContact O-N 3.09Å; F200-F513 AromaticContact CD2-CD2 3.83Å; F200-F513 HydrophobicContact CD2-CD2 3.83Å; F200-F513 AromaticContact CD2-CE2 3.61Å; F200-F513 HydrophobicContact CD2-CE2 3.61Å; F200-F513 AromaticContact CE2-CD2 3.62Å; F200-F513 HydrophobicContact CE2-CD2 3.62Å; F200-F513 AromaticContact CE2-CE2 3.51Å; F200-F513 HydrophobicContact CE2-CE2 3.51Å; F200-F513 HydrophobicContact CE2-CG 4.36Å; F200-F513 HydrophobicContact CE2-CZ 4.14Å; L203-F513 HydrophobicContact CD1-CE2 4.11Å; L203-F513 HydrophobicContact CD1-CZ 4.07Å; L203-F513 HydrophobicContact CD2-CE2 4.19Å; L203-F513 HydrophobicContact CD2-CZ 4.24Å; I341-F513 HydrophobicContact CD1-CZ 4.17Å; I341-F513 HydrophobicContact CG2-CZ 3.9Å; V481-F513 HydrophobicContact CG1-CD1 4.13Å; V481-F513 HydrophobicContact CG1-CE1 3.85Å; Y485-F513 HydrophobicContact CD1-CB 3.73Å; Y485-F513 HydrophobicContact CE1-CB 4.3Å; Y485-F513 HydrophobicContact CG-CB 4.24Å; E486-F513 CarbonylContact O-C 3.59Å; E486-F513 WeakPolarHBondContact O-CA 3.45Å; I487-F513 HydrophobicContact CD1-CE1 4.23Å; I487-F513 HydrophobicContact CG1-CD1 4.16Å; I487-F513 HydrophobicContact CG1-CE1 4.12Å; V511-F513 HydrophobicContact CG2-CE2 4.23Å
514	I	97	Very high	95.9	Very high	78 Å²	78	52.5 Å²	52.5	40%	0.4	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	120.5	179	-47.8	-56.8	0	0	0	108.6	Y485 E486 V488 A512	Y485-I514 CarbonylContact C-O 3.59Å; Y485-I514 WeakPolarHBondContact CA-O 3.46Å; E486-I514 HydrophobicContact CB-CB 4.25Å; E486-I514 PolarHBondContact N-O 3.01Å; E486-I514 PolarHBondContact O-N 2.84Å; V488-I514 HydrophobicContact CG1-CG1 4.17Å; V488-I514 HydrophobicContact CG2-CD1 4.32Å; V488-I514 HydrophobicContact CG2-CG1 3.91Å; A512-I514 HydrophobicContact CB-CD1 4.37Å
515	R	95.1	Very high	95.9	Very high	198 Å²	198	55.6 Å²	55.6	75%	0.747	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	138.4	-179.1	-167.4	171.8	-173.8	160.4	3	110.9	Y485	Y485-R515 HydrophobicContact CD1-CB 4.3Å; Y485-R515 HydrophobicContact CE1-CB 4.06Å; Y485-R515 HydrophobicContact CE1-CG 4.45Å
516	R	93.1	Very high	95.9	Very high	126 Å²	126	59.1 Å²	59.1	48%	0.475	25%	0.254	S	S	.	.			trans	-88.2	0	-178.5	-63.6	-165.1	171.5	-67.4	3.1	114.7	D484 Y485 E486	D484-R516 PolarHBondContact O-N 3.09Å; Y485-R516 PolarHBondContact O-NE 3.22Å; E486-R516 VanDerWaalsContact CA-NH2 3.29Å; E486-R516 IonicContact OE2-CZ 3.97Å; E486-R516 IonicContact OE2-NH1 2.79Å; E486-R516 PolarHBondContact OE2-NH1 2.9Å; E486-R516 IonicContact OE2-NH2 2.68Å; E486-R516 PolarHBondContact OE2-NH2 3.45Å

Retrieved 516 of 516 residues in 1568.9 ms (Link to these results)

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