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Calmodulin-binding receptor-like cytoplasmic kinase 3

AlphaFold DB , UniProt , Accession Q9ASQ5, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene CRCK3, Length 510 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	37.7	Very low	47.4	Very low	247 Å²	247	131.1 Å²	131.1	100%	1.217	74%	0.739	S	S	*	*				0	127.5	0	-65.1	168.7	80.8	0	0	106.8
2	G	37.6	Very low	48.5	Very low	89 Å²	89	125.6 Å²	125.6	92%	0.918	71%	0.71	S	S	*	*			trans	97.2	120.3	-171.1	0	0	0	0	0	112.5
3	G	39	Very low	49.1	Very low	65 Å²	65	123.8 Å²	123.8	67%	0.67	70%	0.696	S	S	*	*			trans	169.8	-39	179.2	0	0	0	0	0	114.7
4	D	48	Very low	49.4	Very low	151 Å²	151	121.8 Å²	121.8	81%	0.807	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-10.5	-158.5	-57	-41.2	0	0	0	116.3	L6	D4-L6 PolarHBondContact O-N 2.68Å
5	D	51.9	Low	49.8	Very low	137 Å²	137	117.9 Å²	117.9	73%	0.733	68%	0.677	S	S	*	*	H	α-helix	trans	-72.6	-22.9	-174.3	-84.5	-48.7	0	0	0	115.4	S7 T9	D5-S7 VanDerWaalsContact C-N 3.34Å; D5-S7 PolarHBondContact O-N 3.05Å; D5-T9 PolarHBondContact O-N 2.72Å; D5-T9 PolarHBondContact O-OG1 3.29Å
6	L	46.5	Very low	50	Low	125 Å²	125	116.8 Å²	116.8	65%	0.654	67%	0.667	S	S	*	*	H	α-helix	trans	-78.9	-18.2	-172.1	-140.9	78.2	0	0	0	113.7	D4 R10	D4-L6 PolarHBondContact O-N 2.68Å; L6-R10 WeakPolarHBondContact O-CG 3.24Å
7	S	52.4	Low	50.1	Low	97 Å²	97	118.5 Å²	118.5	68%	0.678	67%	0.666	S	S	*	*	H	α-helix	trans	-78.1	-47.7	175.3	-177.8	0	0	0	0	110.9	D5 R10 L11	D5-S7 VanDerWaalsContact C-N 3.34Å; D5-S7 PolarHBondContact O-N 3.05Å; S7-R10 PolarHBondContact O-N 3.39Å; S7-L11 PolarHBondContact O-N 3.26Å
8	F	54.3	Low	49.9	Very low	153 Å²	153	114.1 Å²	114.1	67%	0.671	65%	0.651	S	S	*	*	H	α-helix	trans	-69.5	-42.3	-173.9	-151.3	-95.5	0	0	0	112.2	R10 L11 V12	F8-R10 VanDerWaalsContact C-N 3.33Å; F8-R10 PolarHBondContact O-N 3.14Å; F8-L11 PolarHBondContact O-N 3.44Å; F8-V12 HydrophobicContact CD1-CG2 4.03Å; F8-V12 HydrophobicContact CE1-CG2 4.01Å; F8-V12 WeakPolarHBondContact O-CG2 3.4Å; F8-V12 PolarHBondContact O-N 3Å
9	T	52.1	Low	49.9	Very low	73 Å²	73	114.1 Å²	114.1	45%	0.448	65%	0.648	S	S	.	*	H	α-helix	trans	-60.3	-39	175	39.3	0	0	0	0	112.8	D5 I13	D5-T9 PolarHBondContact O-N 2.72Å; D5-T9 PolarHBondContact O-OG1 3.29Å; T9-I13 WeakPolarHBondContact O-CB 3.42Å; T9-I13 WeakPolarHBondContact O-CD1 2.99Å; T9-I13 WeakPolarHBondContact O-CG1 3.42Å; T9-I13 PolarHBondContact O-N 3.31Å; T9-I13 VanDerWaalsContact O-N 3.11Å
10	R	49.2	Very low	49.8	Very low	182 Å²	182	114.2 Å²	114.2	69%	0.687	65%	0.646	S	S	*	*	H	α-helix	trans	-65.3	-39.5	176.3	-79.1	-177.8	166.5	-167.1	-3.1	112.8	L6 S7 F8 T14	L6-R10 WeakPolarHBondContact O-CG 3.24Å; S7-R10 PolarHBondContact O-N 3.39Å; F8-R10 VanDerWaalsContact C-N 3.33Å; F8-R10 PolarHBondContact O-N 3.14Å; R10-T14 PolarHBondContact O-N 3.03Å; R10-T14 PolarHBondContact O-OG1 2.98Å
11	L	53	Low	49.7	Very low	123 Å²	123	115.9 Å²	115.9	64%	0.644	65%	0.651	S	S	*	*	H	α-helix	trans	-69.6	-39.1	179.8	-155.6	76	0	0	0	112.3	S7 F8 T14 A15	S7-L11 PolarHBondContact O-N 3.26Å; F8-L11 PolarHBondContact O-N 3.44Å; L11-T14 PolarHBondContact O-OG1 3.14Å; L11-A15 PolarHBondContact O-N 3.24Å; L11-A15 VanDerWaalsContact O-N 3.16Å
12	V	60.2	Low	50.1	Low	65 Å²	65	110.8 Å²	110.8	39%	0.394	63%	0.628	S	S	.	*	H	α-helix	trans	-69.1	-38.5	177.7	173.5	0	0	0	0	111.6	F8 A15 L16	F8-V12 HydrophobicContact CD1-CG2 4.03Å; F8-V12 HydrophobicContact CE1-CG2 4.01Å; F8-V12 WeakPolarHBondContact O-CG2 3.4Å; F8-V12 PolarHBondContact O-N 3Å; V12-A15 PolarHBondContact O-N 2.79Å; V12-L16 HydrophobicContact CG1-CD1 3.88Å; V12-L16 WeakPolarHBondContact O-CG 3.37Å; V12-L16 PolarHBondContact O-N 2.98Å
13	I	55.9	Low	50.3	Low	103 Å²	103	113 Å²	113	53%	0.528	62%	0.617	S	S	.	*	H	α-helix	trans	-66.9	-39.3	178.4	-69.4	166.5	0	0	0	111.7	T9 F17	T9-I13 WeakPolarHBondContact O-CB 3.42Å; T9-I13 WeakPolarHBondContact O-CD1 2.99Å; T9-I13 WeakPolarHBondContact O-CG1 3.42Å; T9-I13 PolarHBondContact O-N 3.31Å; T9-I13 VanDerWaalsContact O-N 3.11Å; I13-F17 HydrophobicContact CG2-CD2 4.45Å; I13-F17 PolarHBondContact O-N 3.38Å; I13-F17 VanDerWaalsContact O-N 3.1Å
14	T	54.2	Low	50.4	Low	95 Å²	95	117.9 Å²	117.9	58%	0.583	62%	0.623	S	S	*	*	H	α-helix	trans	-69.4	-36.4	175.4	45.5	0	0	0	0	112.7	R10 L11 F17 G18	R10-T14 PolarHBondContact O-N 3.03Å; R10-T14 PolarHBondContact O-OG1 2.98Å; L11-T14 PolarHBondContact O-OG1 3.14Å; T14-F17 PolarHBondContact O-N 3.04Å; T14-G18 PolarHBondContact O-N 3.38Å; T14-G18 VanDerWaalsContact O-N 3.09Å
15	A	54.2	Low	50.1	Low	63 Å²	63	118.4 Å²	118.4	52%	0.521	62%	0.624	S	S	.	*	H	α-helix	trans	-64.8	-42.7	174.8	0	0	0	0	0	112.5	L11 V12 G18 L19	L11-A15 PolarHBondContact O-N 3.24Å; L11-A15 VanDerWaalsContact O-N 3.16Å; V12-A15 PolarHBondContact O-N 2.79Å; A15-G18 PolarHBondContact O-N 2.86Å; A15-L19 PolarHBondContact O-N 2.99Å; A15-L19 VanDerWaalsContact O-N 3.12Å
16	L	54.1	Low	49	Very low	100 Å²	100	121.1 Å²	121.1	52%	0.524	63%	0.63	S	S	.	*	H	α-helix	trans	-66.6	-37.8	177.3	-75.7	166.8	0	0	0	112.6	V12 G18 L19 L20	V12-L16 HydrophobicContact CG1-CD1 3.88Å; V12-L16 WeakPolarHBondContact O-CG 3.37Å; V12-L16 PolarHBondContact O-N 2.98Å; L16-G18 VanDerWaalsContact C-N 3.31Å; L16-G18 PolarHBondContact O-N 3.16Å; L16-L19 PolarHBondContact O-N 3.29Å; L16-L20 WeakPolarHBondContact O-CB 3.39Å; L16-L20 PolarHBondContact O-N 3.21Å
17	F	50.9	Low	48.5	Very low	146 Å²	146	123.5 Å²	123.5	64%	0.64	64%	0.637	S	S	*	*	H	α-helix	trans	-64.9	-33.8	172	-105.1	-90.9	0	0	0	112.8	I13 T14 M21	I13-F17 HydrophobicContact CG2-CD2 4.45Å; I13-F17 PolarHBondContact O-N 3.38Å; I13-F17 VanDerWaalsContact O-N 3.1Å; T14-F17 PolarHBondContact O-N 3.04Å; F17-M21 WeakPolarHBondContact O-CG 3.44Å; F17-M21 PolarHBondContact O-N 3.16Å
18	G	47.7	Very low	47.4	Very low	39 Å²	39	125 Å²	125	40%	0.402	64%	0.642	S	S	.	*	H	α-helix	trans	-63.8	-43.7	173.1	0	0	0	0	0	113	T14 A15 L16	T14-G18 PolarHBondContact O-N 3.38Å; T14-G18 VanDerWaalsContact O-N 3.09Å; A15-G18 PolarHBondContact O-N 2.86Å; L16-G18 VanDerWaalsContact C-N 3.31Å; L16-G18 PolarHBondContact O-N 3.16Å
19	L	50	Low	46.5	Very low	114 Å²	114	123.8 Å²	123.8	60%	0.597	65%	0.653	S	S	*	*	H	α-helix	trans	-71.3	-40.6	179.9	-119	76.3	0	0	0	113.1	A15 L16 M21 L22	A15-L19 PolarHBondContact O-N 2.99Å; A15-L19 VanDerWaalsContact O-N 3.12Å; L16-L19 PolarHBondContact O-N 3.29Å; L19-M21 VanDerWaalsContact C-N 3.28Å; L19-M21 PolarHBondContact O-N 3.5Å; L19-L22 PolarHBondContact O-N 3.13Å
20	L	46.6	Very low	45.5	Very low	116 Å²	116	124.8 Å²	124.8	61%	0.607	67%	0.668	S	S	*	*	H	α-helix	trans	-65.3	-28.9	179.4	-93.8	149.3	0	0	0	113.4	L16 L22	L16-L20 WeakPolarHBondContact O-CB 3.39Å; L16-L20 PolarHBondContact O-N 3.21Å; L20-L22 VanDerWaalsContact C-N 3.31Å
21	M	47.6	Very low	44.6	Very low	150 Å²	150	121.7 Å²	121.7	74%	0.739	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-14.2	176.6	-67.3	-70.4	-82.2	0	0	113.6	F17 L19	F17-M21 WeakPolarHBondContact O-CG 3.44Å; F17-M21 PolarHBondContact O-N 3.16Å; L19-M21 VanDerWaalsContact C-N 3.28Å; L19-M21 PolarHBondContact O-N 3.5Å
22	L	46.7	Very low	43.7	Very low	140 Å²	140	120.8 Å²	120.8	73%	0.733	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-9.3	177.6	-71.3	167.5	0	0	0	113.6	L19 L20	L19-L22 PolarHBondContact O-N 3.13Å; L20-L22 VanDerWaalsContact C-N 3.31Å
23	L	42.4	Very low	42.6	Very low	135 Å²	135	122.9 Å²	122.9	71%	0.707	69%	0.692	S	S	*	*	S	Bend	trans	-106.9	12.8	-171	-70.4	170.8	0	0	0	115
24	Q	40.4	Very low	41.8	Very low	169 Å²	169	123.8 Å²	123.8	79%	0.79	69%	0.692	S	S	*	*			trans	-114.8	19.1	-173	-73	-91.2	-75.2	0	0	114.4
25	I	41.7	Very low	41.2	Very low	162 Å²	162	124.9 Å²	124.9	83%	0.831	70%	0.699	S	S	*	*			trans	-116.9	82.1	178.2	-51	179.7	0	0	0	110.6
26	K	28.2	Very low	40.6	Very low	194 Å²	194	126 Å²	126	84%	0.843	70%	0.703	S	S	*	*			trans	-151.9	156.4	162.8	-124.2	180	179.6	-177.2	0	109.1
27	E	36.2	Very low	40.3	Very low	174 Å²	174	122.9 Å²	122.9	81%	0.813	69%	0.689	S	S	*	*			trans	75.3	94.2	-179.4	-60.3	-174.5	-175.9	0	0	114.2
28	T	29.5	Very low	40.5	Very low	128 Å²	128	120.9 Å²	120.9	79%	0.785	69%	0.694	S	S	*	*				89.2	114.4	72.7	52.1	0	0	0	0	114
29	S	36.1	Very low	41.1	Very low	129 Å²	129	123.4 Å²	123.4	90%	0.902	70%	0.701	S	S	*	*			trans	-149.2	129.9	156.2	-39	0	0	0	0	107.2
30	A	30.3	Very low	41.7	Very low	93 Å²	93	120.4 Å²	120.4	77%	0.769	69%	0.689	S	S	*	*			trans	-98.2	171.1	-170.3	0	0	0	0	0	113.1
31	S	31.4	Very low	42.4	Very low	118 Å²	118	123.8 Å²	123.8	83%	0.825	70%	0.699	S	S	*	*			trans	71.1	138.1	169.3	81.4	0	0	0	0	115.9
32	T	33.5	Very low	43.3	Very low	104 Å²	104	118.8 Å²	118.8	64%	0.638	68%	0.679	S	S	*	*			cis	-130.1	156.1	3	43.7	0	0	0	0	111.2
33	S	36.9	Very low	44.5	Very low	109 Å²	109	113.6 Å²	113.6	76%	0.762	65%	0.652	S	S	*	*			trans	-64.7	129.7	-174.2	39.6	0	0	0	0	114.1	V35	S33-V35 PolarHBondContact O-N 2.95Å
34	F	40.2	Very low	46.2	Very low	121 Å²	121	113.7 Å²	113.7	53%	0.531	65%	0.648	S	S	.	*			trans	-74.6	118.6	162.1	-179	-99.3	0	0	0	108.8	S36 F75	F34-S36 PolarHBondContact O-N 2.74Å; F34-F75 HydrophobicContact CZ-CD1 4.4Å; F34-F75 HydrophobicContact CZ-CG 4.49Å
35	V	41.1	Very low	48.2	Very low	118 Å²	118	106.4 Å²	106.4	72%	0.715	61%	0.614	S	S	*	*			trans	-74.9	93.2	173.4	177.9	0	0	0	0	108.1	S33 S37	S33-V35 PolarHBondContact O-N 2.95Å; V35-S37 VanDerWaalsContact C-N 3.33Å; V35-S37 PolarHBondContact O-N 2.67Å
36	S	41.3	Very low	50	Low	88 Å²	88	102 Å²	102	62%	0.615	60%	0.596	S	S	*	*			trans	-70.7	84.2	174.8	169.4	0	0	0	0	110.7	F34	F34-S36 PolarHBondContact O-N 2.74Å
37	S	48.6	Very low	52.3	Low	33 Å²	33	95.4 Å²	95.4	23%	0.231	57%	0.566	C	S	.	*			trans	-85	126.1	163.2	170.3	0	0	0	0	109.9	V35 V39 S42	V35-S37 VanDerWaalsContact C-N 3.33Å; V35-S37 PolarHBondContact O-N 2.67Å; S37-V39 VanDerWaalsContact C-N 3.26Å; S37-V39 PolarHBondContact O-N 3.35Å; S37-V39 PolarHBondContact OG-N 2.83Å; S37-S42 WeakPolarHBondContact CB-OG 3.48Å; S37-S42 WeakPolarHBondContact OG-CB 3.28Å; S37-S42 PolarHBondContact OG-OG 3.23Å
38	S	53.5	Low	53.8	Low	105 Å²	105	90.7 Å²	90.7	73%	0.734	55%	0.549	S	S	*	.			trans	-84.3	7.5	179.1	51.1	0	0	0	0	113.9
39	V	60.3	Low	55.2	Low	91 Å²	91	90.5 Å²	90.5	55%	0.552	54%	0.537	S	S	*	.	S	Bend	trans	-109.7	119.3	-170.2	-174.1	0	0	0	0	110.7	S37 K41 S42	S37-V39 VanDerWaalsContact C-N 3.26Å; S37-V39 PolarHBondContact O-N 3.35Å; S37-V39 PolarHBondContact OG-N 2.83Å; V39-K41 PolarHBondContact O-N 2.79Å; V39-S42 WeakPolarHBondContact O-CB 3.41Å; V39-S42 PolarHBondContact O-N 3.49Å; V39-S42 VanDerWaalsContact O-N 3.08Å; V39-S42 PolarHBondContact O-OG 3.07Å; V39-S42 VanDerWaalsContact O-OG 3.05Å
40	C	62.8	Low	56	Low	52 Å²	52	87.4 Å²	87.4	35%	0.351	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	137.2	171.6	-68.4	0	0	0	0	111.3	C81	C40-C81 WeakPolarHBondContact CA-SG 3.13Å; C40-C81 HydrophobicContact CB-CB 3.73Å; C40-C81 WeakPolarHBondContact CB-SG 3.38Å; C40-C81 WeakPolarHBondContact SG-CA 3.33Å; C40-C81 WeakPolarHBondContact SG-CB 3.23Å; C40-C81 CovalentContact SG-SG 2.04Å; C40-C81 PolarHBondContact SG-SG 2.87Å
41	K	62.3	Low	56.7	Low	187 Å²	187	94.3 Å²	94.3	81%	0.813	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	8.3	-171	-48.5	-177.8	177.2	-174.1	0	116.6	V39 D43	V39-K41 PolarHBondContact O-N 2.79Å; K41-D43 VanDerWaalsContact C-N 3.29Å
42	S	66.8	Low	57.2	Low	45 Å²	45	98 Å²	98	32%	0.315	53%	0.526	S	S	.	.	S	Bend	trans	-72	-22.8	169.8	65.1	0	0	0	0	114	S37 V39	S37-S42 WeakPolarHBondContact CB-OG 3.48Å; S37-S42 WeakPolarHBondContact OG-CB 3.28Å; S37-S42 PolarHBondContact OG-OG 3.23Å; V39-S42 WeakPolarHBondContact O-CB 3.41Å; V39-S42 PolarHBondContact O-N 3.49Å; V39-S42 VanDerWaalsContact O-N 3.08Å; V39-S42 PolarHBondContact O-OG 3.07Å; V39-S42 VanDerWaalsContact O-OG 3.05Å
43	D	71.2	Confident	57.7	Low	30 Å²	30	101.3 Å²	101.3	16%	0.16	53%	0.534	C	S	.	.	S	Bend	trans	-112.5	123.2	175.3	-64	-51.3	0	0	0	111.9	K41 L45 I59 N60 H76	K41-D43 VanDerWaalsContact C-N 3.29Å; D43-L45 PolarHBondContact O-N 2.87Å; D43-I59 HydrophobicContact CB-CG2 4.15Å; D43-N60 VanDerWaalsContact CA-OD1 3.26Å; D43-N60 WeakPolarHBondContact CA-OD1 3.14Å; D43-N60 PolarHBondContact OD1-ND2 2.94Å; D43-H76 IonicContact OD2-CD2 3.62Å; D43-H76 IonicContact OD2-CE1 3.6Å; D43-H76 IonicContact OD2-NE2 2.79Å; D43-H76 PolarHBondContact OD2-NE2 3.17Å
44	H	78.7	Confident	58.7	Low	138 Å²	138	98.9 Å²	98.9	64%	0.639	53%	0.526	S	S	*	.			trans	-80.8	94.2	167	-80.8	-76	0	0	0	110.2	N60	H44-N60 PolarHBondContact N-OD1 3.3Å; H44-N60 PolarHBondContact O-N 2.87Å
45	L	82.5	Confident	59.9	Low	15 Å²	15	95.6 Å²	95.6	8%	0.079	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	119.9	170.8	-68.4	167.4	0	0	0	109.8	D43 I59 F69 A72 L73 F83 F87	D43-L45 PolarHBondContact O-N 2.87Å; L45-I59 HydrophobicContact CD2-CB 4.46Å; L45-I59 HydrophobicContact CD2-CD1 4.25Å; L45-I59 HydrophobicContact CD2-CG1 3.84Å; L45-I59 HydrophobicContact CD2-CG2 4.24Å; L45-F69 HydrophobicContact CB-CE2 4.09Å; L45-F69 HydrophobicContact CB-CZ 4.36Å; L45-F69 HydrophobicContact CD2-CD2 3.96Å; L45-F69 HydrophobicContact CD2-CE2 3.85Å; L45-A72 HydrophobicContact CD2-CB 3.95Å; L45-L73 HydrophobicContact CD1-CB 4.5Å; L45-L73 HydrophobicContact CD1-CD1 4.16Å; L45-F83 HydrophobicContact CB-CE1 4.46Å; L45-F83 HydrophobicContact CD1-CE1 3.81Å; L45-F83 HydrophobicContact CD1-CZ 3.76Å; L45-F87 HydrophobicContact CB-CZ 4.15Å
46	T	78.8	Confident	61.6	Low	71 Å²	71	94 Å²	94	44%	0.436	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	143.8	175.6	-39	0	0	0	0	109.8	T58 F69	T46-T58 WeakPolarHBondContact CB-OG1 3.45Å; T46-T58 PolarHBondContact N-O 3.47Å; T46-T58 PolarHBondContact O-N 2.99Å; T46-T58 PolarHBondContact O-OG1 3.11Å; T46-F69 VanDerWaalsContact O-CE2 3.28Å; T46-F69 WeakPolarHBondContact O-CE2 3.36Å
47	Y	76.1	Confident	63.6	Low	55 Å²	55	90.4 Å²	90.4	22%	0.216	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	150.6	164.9	82.8	-93	0	0	0	110.7	K49 L56 F57 F69 S86 F87	Y47-K49 HydrophobicContact CD2-CG 4.43Å; Y47-K49 HydrophobicContact CE2-CD 4.36Å; Y47-K49 HydrophobicContact CE2-CG 4.11Å; Y47-L56 CarbonylContact C-O 3.49Å; Y47-L56 VanDerWaalsContact CA-O 3.23Å; Y47-L56 WeakPolarHBondContact CA-O 3.5Å; Y47-F57 HydrophobicContact CG-CE1 4.28Å; Y47-F69 HydrophobicContact CD1-CZ 4.49Å; Y47-S86 PolarHBondContact OH-O 3.49Å; Y47-F87 HydrophobicContact CD1-CD1 4.42Å; Y47-F87 HydrophobicContact CD1-CE1 4.24Å; Y47-F87 HydrophobicContact CE1-CD1 4.39Å
48	T	68.1	Low	65.2	Low	74 Å²	74	89.8 Å²	89.8	45%	0.454	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	144.9	170.5	48.9	0	0	0	0	110.5	P50 S55 L56	T48-P50 WeakPolarHBondContact O-CD 3.33Å; T48-S55 WeakPolarHBondContact O-CA 3.42Å; T48-L56 PolarHBondContact N-O 2.72Å; T48-L56 PolarHBondContact O-N 2.79Å
49	K	59.8	Low	66.7	Low	125 Å²	125	86.2 Å²	86.2	54%	0.543	45%	0.446	S	S	.	.			trans	-107.8	94.8	169.9	-76.4	177.6	179.8	174	0	108.5	Y47	Y47-K49 HydrophobicContact CD2-CG 4.43Å; Y47-K49 HydrophobicContact CE2-CD 4.36Å; Y47-K49 HydrophobicContact CE2-CG 4.11Å
50	P	52.9	Low	67.9	Low	63 Å²	63	85.4 Å²	85.4	41%	0.409	44%	0.438	S	S	.	.			trans	-61.2	139.8	165	-14.9	29.8	0	0	0	109.2	T48 Q52 G54	T48-P50 WeakPolarHBondContact O-CD 3.33Å; P50-Q52 PolarHBondContact O-N 3.09Å; P50-G54 WeakPolarHBondContact CD-O 3.38Å; P50-G54 VanDerWaalsContact CG-O 3.24Å; P50-G54 WeakPolarHBondContact CG-O 3.49Å
51	Y	45.2	Very low	68.7	Low	238 Å²	238	85.8 Å²	85.8	93%	0.933	45%	0.451	S	S	*	.	S	Bend	trans	-62.5	-17.4	-173.8	-95.8	-96.9	0	0	0	114.8
52	Q	41.2	Very low	69.7	Low	195 Å²	195	81.9 Å²	81.9	91%	0.911	44%	0.439	S	S	*	.	S	Bend	trans	-142.6	4.2	-174.1	-67.7	-172.9	-28.1	0	0	116.1	P50	P50-Q52 PolarHBondContact O-N 3.09Å
53	Q	44.7	Very low	70.5	Confident	175 Å²	175	84.2 Å²	84.2	82%	0.818	45%	0.453	S	S	*	.	S	Bend	trans	-153.9	65.5	-168.2	-139.6	168.5	20.5	0	0	116.2
54	G	57	Low	71	Confident	58 Å²	58	84.8 Å²	84.8	60%	0.598	46%	0.457	S	S	*	.			trans	72.2	140.3	168.4	0	0	0	0	0	115.1	P50	P50-G54 WeakPolarHBondContact CD-O 3.38Å; P50-G54 VanDerWaalsContact CG-O 3.24Å; P50-G54 WeakPolarHBondContact CG-O 3.49Å
55	S	66	Low	71.1	Confident	51 Å²	51	85.1 Å²	85.1	36%	0.357	46%	0.459	S	S	.	.			trans	-78.1	131.3	176.5	-58.1	0	0	0	0	110.9	T48 F57	T48-S55 WeakPolarHBondContact O-CA 3.42Å; S55-F57 WeakPolarHBondContact O-CE2 3.19Å
56	L	75.8	Confident	71	Confident	86 Å²	86	86.9 Å²	86.9	45%	0.45	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.2	176.3	-174.1	73.5	0	0	0	109.5	Y47 T48 T58 P63	Y47-L56 CarbonylContact C-O 3.49Å; Y47-L56 VanDerWaalsContact CA-O 3.23Å; Y47-L56 WeakPolarHBondContact CA-O 3.5Å; T48-L56 PolarHBondContact N-O 2.72Å; T48-L56 PolarHBondContact O-N 2.79Å; L56-T58 HydrophobicContact CD2-CG2 4.37Å; L56-T58 HydrophobicContact CG-CG2 4.39Å; L56-P63 HydrophobicContact CD1-CB 4.35Å
57	F	83.1	Confident	71	Confident	12 Å²	12	86.6 Å²	86.6	5%	0.053	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.7	176.5	-56.5	-72.6	0	0	0	109.2	Y47 S55 P63 V64 K66 F69 F91	Y47-F57 HydrophobicContact CG-CE1 4.28Å; S55-F57 WeakPolarHBondContact O-CE2 3.19Å; F57-P63 CarbonylContact O-C 3.6Å; F57-P63 VanDerWaalsContact O-CA 3.32Å; F57-P63 WeakPolarHBondContact O-CA 3.28Å; F57-V64 HydrophobicContact CB-CG2 3.88Å; F57-V64 PolarHBondContact O-N 3.06Å; F57-K66 HydrophobicContact CD2-CB 4.34Å; F57-K66 HydrophobicContact CE2-CB 4.28Å; F57-F69 HydrophobicContact CB-CB 3.87Å; F57-F69 HydrophobicContact CB-CD1 4.5Å; F57-F69 HydrophobicContact CB-CD2 3.73Å; F57-F69 HydrophobicContact CB-CE2 4.35Å; F57-F69 HydrophobicContact CB-CG 3.79Å; F57-F69 HydrophobicContact CD1-CB 4.3Å; F57-F69 AromaticContact CD1-CD1 3.62Å; F57-F69 HydrophobicContact CD1-CD1 3.62Å; F57-F69 HydrophobicContact CD1-CD2 4.19Å; F57-F69 AromaticContact CD1-CE1 3.86Å; F57-F69 HydrophobicContact CD1-CE1 3.86Å; F57-F69 HydrophobicContact CD1-CE2 4.39Å; F57-F69 AromaticContact CD1-CG 3.78Å; F57-F69 HydrophobicContact CD1-CG 3.78Å; F57-F69 HydrophobicContact CD1-CZ 4.22Å; F57-F69 HydrophobicContact CE1-CD1 4.41Å; F57-F69 HydrophobicContact CG-CB 4.14Å; F57-F69 HydrophobicContact CG-CD1 4.31Å; F57-F69 HydrophobicContact CG-CD2 4.37Å; F57-F69 HydrophobicContact CG-CG 4.03Å; F57-F91 AromaticContact CD1-CE1 3.9Å; F57-F91 HydrophobicContact CD1-CE1 3.9Å; F57-F91 HydrophobicContact CD1-CZ 4.43Å; F57-F91 AromaticContact CE1-CD1 3.78Å; F57-F91 HydrophobicContact CE1-CD1 3.78Å; F57-F91 AromaticContact CE1-CE1 3.12Å; F57-F91 HydrophobicContact CE1-CE1 3.12Å; F57-F91 HydrophobicContact CE1-CE2 4.19Å; F57-F91 AromaticContact CE1-CZ 3.4Å; F57-F91 HydrophobicContact CE1-CZ 3.4Å; F57-F91 AromaticContact CE2-CE1 3.99Å; F57-F91 HydrophobicContact CE2-CE1 3.99Å; F57-F91 AromaticContact CE2-CZ 3.61Å; F57-F91 HydrophobicContact CE2-CZ 3.61Å; F57-F91 HydrophobicContact CZ-CD1 4.19Å; F57-F91 AromaticContact CZ-CE1 3.21Å; F57-F91 HydrophobicContact CZ-CE1 3.21Å; F57-F91 AromaticContact CZ-CE2 3.67Å; F57-F91 HydrophobicContact CZ-CE2 3.67Å; F57-F91 AromaticContact CZ-CZ 2.91Å; F57-F91 HydrophobicContact CZ-CZ 2.91Å
58	T	82.6	Confident	71.1	Confident	20 Å²	20	90.4 Å²	90.4	12%	0.123	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	142.7	176.2	64	0	0	0	0	112.1	T46 L56 N62	T46-T58 WeakPolarHBondContact CB-OG1 3.45Å; T46-T58 PolarHBondContact N-O 3.47Å; T46-T58 PolarHBondContact O-N 2.99Å; T46-T58 PolarHBondContact O-OG1 3.11Å; L56-T58 HydrophobicContact CD2-CG2 4.37Å; L56-T58 HydrophobicContact CG-CG2 4.39Å; T58-N62 CarbonylContact C-O 3.52Å; T58-N62 WeakPolarHBondContact CA-O 3.32Å; T58-N62 WeakPolarHBondContact CB-O 3.38Å
59	I	85.3	Confident	72	Confident	29 Å²	29	87 Å²	87	15%	0.149	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121	167.4	-47.1	-176.1	0	0	0	106.9	D43 L45 G61 N62 V64 F69 A72	D43-I59 HydrophobicContact CB-CG2 4.15Å; L45-I59 HydrophobicContact CD2-CB 4.46Å; L45-I59 HydrophobicContact CD2-CD1 4.25Å; L45-I59 HydrophobicContact CD2-CG1 3.84Å; L45-I59 HydrophobicContact CD2-CG2 4.24Å; I59-G61 PolarHBondContact O-N 3.47Å; I59-N62 PolarHBondContact N-O 3.34Å; I59-N62 WeakPolarHBondContact O-CB 3.44Å; I59-N62 PolarHBondContact O-N 2.76Å; I59-N62 PolarHBondContact O-ND2 3.23Å; I59-V64 HydrophobicContact CB-CG1 4.28Å; I59-V64 HydrophobicContact CD1-CB 4.5Å; I59-V64 HydrophobicContact CD1-CG1 3.98Å; I59-V64 HydrophobicContact CD1-CG2 4.05Å; I59-V64 HydrophobicContact CG1-CB 4.39Å; I59-V64 HydrophobicContact CG1-CG1 3.81Å; I59-V64 HydrophobicContact CG1-CG2 3.71Å; I59-F69 HydrophobicContact CG1-CD2 4.37Å; I59-A72 HydrophobicContact CD1-CB 3.75Å
60	N	85.4	Confident	73.1	Confident	75 Å²	75	81.2 Å²	81.2	40%	0.401	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	41.5	-176.8	-59.9	-36.3	0	0	0	112.5	D43 H44 N62	D43-N60 VanDerWaalsContact CA-OD1 3.26Å; D43-N60 WeakPolarHBondContact CA-OD1 3.14Å; D43-N60 PolarHBondContact OD1-ND2 2.94Å; H44-N60 PolarHBondContact N-OD1 3.3Å; H44-N60 PolarHBondContact O-N 2.87Å; N60-N62 PolarHBondContact O-N 3.29Å; N60-N62 VanDerWaalsContact O-N 3.16Å; N60-N62 PolarHBondContact O-ND2 3.08Å
61	G	79.4	Confident	74.5	Confident	59 Å²	59	83.1 Å²	83.1	61%	0.608	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	-13.4	-176.3	0	0	0	0	0	115.5	I59	I59-G61 PolarHBondContact O-N 3.47Å
62	N	82.7	Confident	76.2	Confident	105 Å²	105	72 Å²	72	56%	0.561	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	127.9	179.8	-60.9	-73.1	0	0	0	111	T58 I59 N60	T58-N62 CarbonylContact C-O 3.52Å; T58-N62 WeakPolarHBondContact CA-O 3.32Å; T58-N62 WeakPolarHBondContact CB-O 3.38Å; I59-N62 PolarHBondContact N-O 3.34Å; I59-N62 WeakPolarHBondContact O-CB 3.44Å; I59-N62 PolarHBondContact O-N 2.76Å; I59-N62 PolarHBondContact O-ND2 3.23Å; N60-N62 PolarHBondContact O-N 3.29Å; N60-N62 VanDerWaalsContact O-N 3.16Å; N60-N62 PolarHBondContact O-ND2 3.08Å
63	P	83.8	Confident	78.2	Confident	95 Å²	95	63.1 Å²	63.1	62%	0.617	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.8	136.2	171.3	-25.8	35.6	0	0	0	112.5	L56 F57	L56-P63 HydrophobicContact CD1-CB 4.35Å; F57-P63 CarbonylContact O-C 3.6Å; F57-P63 VanDerWaalsContact O-CA 3.32Å; F57-P63 WeakPolarHBondContact O-CA 3.28Å
64	V	83	Confident	79.9	Confident	41 Å²	41	59.7 Å²	59.7	25%	0.248	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	160.2	176.4	-62.5	0	0	0	0	111.5	F57 I59 R68 F69	F57-V64 HydrophobicContact CB-CG2 3.88Å; F57-V64 PolarHBondContact O-N 3.06Å; I59-V64 HydrophobicContact CB-CG1 4.28Å; I59-V64 HydrophobicContact CD1-CB 4.5Å; I59-V64 HydrophobicContact CD1-CG1 3.98Å; I59-V64 HydrophobicContact CD1-CG2 4.05Å; I59-V64 HydrophobicContact CG1-CB 4.39Å; I59-V64 HydrophobicContact CG1-CG1 3.81Å; I59-V64 HydrophobicContact CG1-CG2 3.71Å; V64-R68 HydrophobicContact CB-CB 4.38Å; V64-F69 HydrophobicContact CG2-CB 3.85Å; V64-F69 HydrophobicContact CG2-CD2 4.2Å
65	E	79.4	Confident	80.9	Confident	145 Å²	145	60 Å²	60	68%	0.678	31%	0.314	S	S	*	.			trans	-66.8	150.1	168.2	-63.4	-178.2	173.8	0	0	111.8	L67 R68 F69	E65-L67 PolarHBondContact O-N 2.8Å; E65-L67 VanDerWaalsContact O-N 3.09Å; E65-R68 PolarHBondContact O-N 2.81Å; E65-R68 VanDerWaalsContact O-N 3.13Å; E65-F69 PolarHBondContact O-N 3.19Å; E65-F69 VanDerWaalsContact O-N 3.08Å
66	K	80.2	Confident	81.4	Confident	52 Å²	52	57.7 Å²	57.7	23%	0.226	30%	0.298	C	S	.	.	H	α-helix	trans	-45.3	-42.7	174.1	170.9	173.3	-170	176	0	112.3	F57 F69 C70 F91 N448	F57-K66 HydrophobicContact CD2-CB 4.34Å; F57-K66 HydrophobicContact CE2-CB 4.28Å; K66-F69 PolarHBondContact O-N 2.84Å; K66-C70 WeakPolarHBondContact O-CB 3.46Å; K66-C70 PolarHBondContact O-N 3.39Å; K66-C70 PolarHBondContact O-SG 2.93Å; K66-F91 HydrophobicContact CB-CE1 4.41Å; K66-F91 HydrophobicContact CB-CZ 4.28Å; K66-F91 HydrophobicContact CD-CE1 3.85Å; K66-F91 HydrophobicContact CD-CE2 4.12Å; K66-F91 HydrophobicContact CD-CZ 3.36Å; K66-F91 WeakPolarHBondContact CE-O 3.16Å; K66-F91 HydrophobicContact CG-CE1 3.63Å; K66-F91 HydrophobicContact CG-CZ 3.61Å; K66-F91 PolarHBondContact NZ-O 3.49Å; K66-N448 PolarHBondContact NZ-OD1 2.88Å
67	L	78.6	Confident	81.5	Confident	66 Å²	66	57.7 Å²	57.7	35%	0.346	29%	0.294	S	S	.	.	H	α-helix	trans	-61.4	-53.2	-177.7	-177.5	60.1	0	0	0	111.7	E65 F69 C70 E71 H95	E65-L67 PolarHBondContact O-N 2.8Å; E65-L67 VanDerWaalsContact O-N 3.09Å; L67-F69 VanDerWaalsContact C-N 3.33Å; L67-F69 PolarHBondContact O-N 3.14Å; L67-C70 PolarHBondContact O-N 3.02Å; L67-C70 VanDerWaalsContact O-N 3.15Å; L67-E71 WeakPolarHBondContact O-CG 3.49Å; L67-E71 PolarHBondContact O-N 3.5Å; L67-H95 HydrophobicContact CD1-CB 4.11Å
68	R	79.9	Confident	81.2	Confident	135 Å²	135	61.2 Å²	61.2	51%	0.509	33%	0.326	S	S	.	.	H	α-helix	trans	-62.9	-37.8	178.1	-79.6	-153.7	176.2	-158.3	1.5	112.8	V64 E65 C70 E71 A72	V64-R68 HydrophobicContact CB-CB 4.38Å; E65-R68 PolarHBondContact O-N 2.81Å; E65-R68 VanDerWaalsContact O-N 3.13Å; R68-C70 VanDerWaalsContact C-N 3.32Å; R68-C70 PolarHBondContact O-N 3Å; R68-E71 PolarHBondContact O-N 2.89Å; R68-A72 PolarHBondContact O-N 3.31Å
69	F	86.6	Confident	80.9	Confident	1 Å²	1	64.2 Å²	64.2	0%	0.004	34%	0.341	C	S	.	.	H	α-helix	trans	-59.4	-44.6	174.1	-171.6	-99.9	0	0	0	111.7	L45 T46 Y47 F57 I59 V64 E65 K66 L67 A72 L73 F87	L45-F69 HydrophobicContact CB-CE2 4.09Å; L45-F69 HydrophobicContact CB-CZ 4.36Å; L45-F69 HydrophobicContact CD2-CD2 3.96Å; L45-F69 HydrophobicContact CD2-CE2 3.85Å; T46-F69 VanDerWaalsContact O-CE2 3.28Å; T46-F69 WeakPolarHBondContact O-CE2 3.36Å; Y47-F69 HydrophobicContact CD1-CZ 4.49Å; F57-F69 HydrophobicContact CB-CB 3.87Å; F57-F69 HydrophobicContact CB-CD1 4.5Å; F57-F69 HydrophobicContact CB-CD2 3.73Å; F57-F69 HydrophobicContact CB-CE2 4.35Å; F57-F69 HydrophobicContact CB-CG 3.79Å; F57-F69 HydrophobicContact CD1-CB 4.3Å; F57-F69 AromaticContact CD1-CD1 3.62Å; F57-F69 HydrophobicContact CD1-CD1 3.62Å; F57-F69 HydrophobicContact CD1-CD2 4.19Å; F57-F69 AromaticContact CD1-CE1 3.86Å; F57-F69 HydrophobicContact CD1-CE1 3.86Å; F57-F69 HydrophobicContact CD1-CE2 4.39Å; F57-F69 AromaticContact CD1-CG 3.78Å; F57-F69 HydrophobicContact CD1-CG 3.78Å; F57-F69 HydrophobicContact CD1-CZ 4.22Å; F57-F69 HydrophobicContact CE1-CD1 4.41Å; F57-F69 HydrophobicContact CG-CB 4.14Å; F57-F69 HydrophobicContact CG-CD1 4.31Å; F57-F69 HydrophobicContact CG-CD2 4.37Å; F57-F69 HydrophobicContact CG-CG 4.03Å; I59-F69 HydrophobicContact CG1-CD2 4.37Å; V64-F69 HydrophobicContact CG2-CB 3.85Å; V64-F69 HydrophobicContact CG2-CD2 4.2Å; E65-F69 PolarHBondContact O-N 3.19Å; E65-F69 VanDerWaalsContact O-N 3.08Å; K66-F69 PolarHBondContact O-N 2.84Å; L67-F69 VanDerWaalsContact C-N 3.33Å; L67-F69 PolarHBondContact O-N 3.14Å; F69-A72 PolarHBondContact O-N 3.05Å; F69-L73 WeakPolarHBondContact O-CB 3.47Å; F69-L73 PolarHBondContact O-N 3.33Å; F69-F87 HydrophobicContact CE1-CE1 4.13Å; F69-F87 AromaticContact CZ-CE1 3.81Å; F69-F87 HydrophobicContact CZ-CE1 3.81Å; F69-F87 HydrophobicContact CZ-CZ 4.46Å
70	C	82.4	Confident	80.4	Confident	4 Å²	4	65.7 Å²	65.7	3%	0.027	36%	0.363	C	S	.	.	H	α-helix	trans	-73	-30.3	179.6	-66.5	0	0	0	0	113.8	K66 L67 R68 R74 C92	K66-C70 WeakPolarHBondContact O-CB 3.46Å; K66-C70 PolarHBondContact O-N 3.39Å; K66-C70 PolarHBondContact O-SG 2.93Å; L67-C70 PolarHBondContact O-N 3.02Å; L67-C70 VanDerWaalsContact O-N 3.15Å; R68-C70 VanDerWaalsContact C-N 3.32Å; R68-C70 PolarHBondContact O-N 3Å; C70-R74 WeakPolarHBondContact O-CB 3.39Å; C70-R74 VanDerWaalsContact O-CG 3.26Å; C70-R74 WeakPolarHBondContact O-CG 3.26Å; C70-R74 PolarHBondContact O-N 3.5Å; C70-C92 WeakPolarHBondContact CA-SG 3.4Å; C70-C92 HydrophobicContact CB-CB 3.55Å; C70-C92 WeakPolarHBondContact CB-SG 3.33Å; C70-C92 WeakPolarHBondContact SG-CA 3.4Å; C70-C92 WeakPolarHBondContact SG-CB 3.36Å; C70-C92 CovalentContact SG-SG 2.04Å; C70-C92 PolarHBondContact SG-SG 3.05Å
71	E	82.4	Confident	80	Confident	103 Å²	103	62.8 Å²	62.8	48%	0.481	35%	0.348	S	S	.	.	H	α-helix	trans	-64	-48	169.7	-72.4	171.7	164.7	0	0	111.1	L67 R68 R74 F75	L67-E71 WeakPolarHBondContact O-CG 3.49Å; L67-E71 PolarHBondContact O-N 3.5Å; R68-E71 PolarHBondContact O-N 2.89Å; E71-R74 PolarHBondContact O-N 3.22Å; E71-F75 PolarHBondContact O-N 2.69Å
72	A	80.4	Confident	79.5	Confident	4 Å²	4	67.7 Å²	67.7	3%	0.033	36%	0.359	C	S	.	.	H	α-helix	trans	-62.4	-45.1	176.2	0	0	0	0	0	112.3	L45 I59 R68 F69 R74 F75 H76	L45-A72 HydrophobicContact CD2-CB 3.95Å; I59-A72 HydrophobicContact CD1-CB 3.75Å; R68-A72 PolarHBondContact O-N 3.31Å; F69-A72 PolarHBondContact O-N 3.05Å; A72-R74 VanDerWaalsContact C-N 3.33Å; A72-R74 PolarHBondContact O-N 3.19Å; A72-F75 WeakPolarHBondContact O-CB 3.34Å; A72-F75 PolarHBondContact O-N 2.92Å; A72-F75 VanDerWaalsContact O-N 3.16Å; A72-H76 PolarHBondContact O-CD2 3.02Å; A72-H76 VanDerWaalsContact O-CD2 3.3Å; A72-H76 PolarHBondContact O-N 3.41Å
73	L	82.8	Confident	78.7	Confident	10 Å²	10	65.2 Å²	65.2	5%	0.052	34%	0.343	C	S	.	.	H	α-helix	trans	-60.6	-40.5	177.3	-173.8	66.9	0	0	0	112.1	L45 F69 K77 F83 F87 C92	L45-L73 HydrophobicContact CD1-CB 4.5Å; L45-L73 HydrophobicContact CD1-CD1 4.16Å; F69-L73 WeakPolarHBondContact O-CB 3.47Å; F69-L73 PolarHBondContact O-N 3.33Å; L73-K77 WeakPolarHBondContact O-CB 3.41Å; L73-K77 WeakPolarHBondContact O-CG 3.39Å; L73-K77 PolarHBondContact O-N 3.42Å; L73-F83 HydrophobicContact CD1-CD2 4.29Å; L73-F83 HydrophobicContact CD1-CE1 4.38Å; L73-F83 HydrophobicContact CD1-CE2 3.94Å; L73-F83 HydrophobicContact CD1-CZ 3.99Å; L73-F87 HydrophobicContact CD1-CD1 3.96Å; L73-F87 HydrophobicContact CD1-CE1 3.98Å; L73-F87 HydrophobicContact CD2-CD1 4.19Å; L73-C92 HydrophobicContact CD2-CB 4.1Å
74	R	80.3	Confident	77.4	Confident	103 Å²	103	68.9 Å²	68.9	39%	0.389	35%	0.352	S	S	.	.	H	α-helix	trans	-65.8	-40.5	174.1	-74.8	176.3	-167.3	165.5	8.7	112	C70 E71 A72 K77 A78 C92	C70-R74 WeakPolarHBondContact O-CB 3.39Å; C70-R74 VanDerWaalsContact O-CG 3.26Å; C70-R74 WeakPolarHBondContact O-CG 3.26Å; C70-R74 PolarHBondContact O-N 3.5Å; E71-R74 PolarHBondContact O-N 3.22Å; A72-R74 VanDerWaalsContact C-N 3.33Å; A72-R74 PolarHBondContact O-N 3.19Å; R74-K77 PolarHBondContact O-N 3.01Å; R74-A78 VanDerWaalsContact O-CB 3.31Å; R74-A78 WeakPolarHBondContact O-CB 3.28Å; R74-A78 PolarHBondContact O-N 3.25Å; R74-C92 PolarHBondContact NH2-O 3.22Å
75	F	79.2	Confident	75.6	Confident	63 Å²	63	75.2 Å²	75.2	28%	0.276	39%	0.385	S	S	.	.	H	α-helix	trans	-61.1	-47.3	176.5	178.8	-95.4	0	0	0	111.7	F34 E71 A72 A78 N79	F34-F75 HydrophobicContact CZ-CD1 4.4Å; F34-F75 HydrophobicContact CZ-CG 4.49Å; E71-F75 PolarHBondContact O-N 2.69Å; A72-F75 WeakPolarHBondContact O-CB 3.34Å; A72-F75 PolarHBondContact O-N 2.92Å; A72-F75 VanDerWaalsContact O-N 3.16Å; F75-A78 PolarHBondContact O-N 3.06Å; F75-N79 WeakPolarHBondContact CE1-ND2 3.37Å; F75-N79 WeakPolarHBondContact CZ-ND2 3.43Å; F75-N79 PolarHBondContact O-N 3.36Å; F75-N79 PolarHBondContact O-ND2 2.83Å
76	H	76.2	Confident	74.3	Confident	4 Å²	4	72 Å²	72	2%	0.019	38%	0.378	C	S	.	.	H	α-helix	trans	-65.7	-41.2	176.7	-79.7	-77.8	0	0	0	112.6	D43 A72 A78 N79 G80 C81 F83	D43-H76 IonicContact OD2-CD2 3.62Å; D43-H76 IonicContact OD2-CE1 3.6Å; D43-H76 IonicContact OD2-NE2 2.79Å; D43-H76 PolarHBondContact OD2-NE2 3.17Å; A72-H76 PolarHBondContact O-CD2 3.02Å; A72-H76 VanDerWaalsContact O-CD2 3.3Å; A72-H76 PolarHBondContact O-N 3.41Å; H76-A78 PolarHBondContact O-N 3.1Å; H76-N79 PolarHBondContact O-N 3.01Å; H76-G80 PolarHBondContact O-N 3.29Å; H76-C81 HydrophobicContact CB-CB 4.09Å; H76-C81 VanDerWaalsContact O-CB 3.31Å; H76-C81 WeakPolarHBondContact O-CB 3.39Å; H76-C81 PolarHBondContact O-N 3.42Å; H76-C81 PolarHBondContact O-SG 3Å; H76-F83 HydrophobicContact CB-CE2 3.85Å; H76-F83 HydrophobicContact CB-CZ 3.56Å
77	K	78.1	Confident	73.2	Confident	85 Å²	85	71.5 Å²	71.5	37%	0.37	38%	0.376	S	S	.	.	H	α-helix	trans	-61.9	-40.3	173.3	-79	-168	172	-169.2	0	112.8	L73 R74 N79 G80 F83 D89	L73-K77 WeakPolarHBondContact O-CB 3.41Å; L73-K77 WeakPolarHBondContact O-CG 3.39Å; L73-K77 PolarHBondContact O-N 3.42Å; R74-K77 PolarHBondContact O-N 3.01Å; K77-N79 PolarHBondContact O-N 3.23Å; K77-G80 PolarHBondContact O-N 3Å; K77-G80 VanDerWaalsContact O-N 3.09Å; K77-F83 HydrophobicContact CG-CE2 4.39Å; K77-D89 IonicContact NZ-OD1 2.69Å; K77-D89 PolarHBondContact NZ-OD1 3.22Å; K77-D89 IonicContact NZ-OD2 3.14Å; K77-D89 PolarHBondContact NZ-OD2 2.69Å
78	A	75.7	Confident	71.8	Confident	87 Å²	87	71.1 Å²	71.1	72%	0.719	38%	0.379	S	S	*	.	H	α-helix	trans	-65.4	-27.2	177.7	0	0	0	0	0	113.1	R74 F75 H76 G80	R74-A78 VanDerWaalsContact O-CB 3.31Å; R74-A78 WeakPolarHBondContact O-CB 3.28Å; R74-A78 PolarHBondContact O-N 3.25Å; F75-A78 PolarHBondContact O-N 3.06Å; H76-A78 PolarHBondContact O-N 3.1Å; A78-G80 VanDerWaalsContact C-N 3.33Å
79	N	77.9	Confident	70.4	Confident	83 Å²	83	69 Å²	69	44%	0.444	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	11.1	173.9	-68.7	-62.8	0	0	0	113.6	F75 H76 K77	F75-N79 WeakPolarHBondContact CE1-ND2 3.37Å; F75-N79 WeakPolarHBondContact CZ-ND2 3.43Å; F75-N79 PolarHBondContact O-N 3.36Å; F75-N79 PolarHBondContact O-ND2 2.83Å; H76-N79 PolarHBondContact O-N 3.01Å; K77-N79 PolarHBondContact O-N 3.23Å
80	G	74.7	Confident	68.9	Low	59 Å²	59	74.2 Å²	74.2	61%	0.608	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	15.7	174.1	0	0	0	0	0	115.5	H76 K77 A78 I82	H76-G80 PolarHBondContact O-N 3.29Å; K77-G80 PolarHBondContact O-N 3Å; K77-G80 VanDerWaalsContact O-N 3.09Å; A78-G80 VanDerWaalsContact C-N 3.33Å; G80-I82 PolarHBondContact O-N 2.87Å
81	C	77.1	Confident	67.8	Low	15 Å²	15	76.1 Å²	76.1	10%	0.101	41%	0.414	C	S	.	.			trans	-73.1	128.9	-178.6	-49.5	0	0	0	0	112	C40 H76 F83	C40-C81 WeakPolarHBondContact CA-SG 3.13Å; C40-C81 HydrophobicContact CB-CB 3.73Å; C40-C81 WeakPolarHBondContact CB-SG 3.38Å; C40-C81 WeakPolarHBondContact SG-CA 3.33Å; C40-C81 WeakPolarHBondContact SG-CB 3.23Å; C40-C81 CovalentContact SG-SG 2.04Å; C40-C81 PolarHBondContact SG-SG 2.87Å; H76-C81 HydrophobicContact CB-CB 4.09Å; H76-C81 VanDerWaalsContact O-CB 3.31Å; H76-C81 WeakPolarHBondContact O-CB 3.39Å; H76-C81 PolarHBondContact O-N 3.42Å; H76-C81 PolarHBondContact O-SG 3Å; C81-F83 HydrophobicContact CB-CE2 4.28Å
82	I	67.2	Low	67	Low	162 Å²	162	71.8 Å²	71.8	83%	0.831	39%	0.394	S	S	*	.			trans	-86.4	133	176.4	-56.5	173.9	0	0	0	109.3	G80	G80-I82 PolarHBondContact O-N 2.87Å
83	F	66.4	Low	65.8	Low	53 Å²	53	74.2 Å²	74.2	23%	0.232	41%	0.409	C	S	.	.			trans	-113.2	144.9	173.5	-66.9	-85.5	0	0	0	109.6	L45 L73 H76 K77 C81 F87	L45-F83 HydrophobicContact CB-CE1 4.46Å; L45-F83 HydrophobicContact CD1-CE1 3.81Å; L45-F83 HydrophobicContact CD1-CZ 3.76Å; L73-F83 HydrophobicContact CD1-CD2 4.29Å; L73-F83 HydrophobicContact CD1-CE1 4.38Å; L73-F83 HydrophobicContact CD1-CE2 3.94Å; L73-F83 HydrophobicContact CD1-CZ 3.99Å; H76-F83 HydrophobicContact CB-CE2 3.85Å; H76-F83 HydrophobicContact CB-CZ 3.56Å; K77-F83 HydrophobicContact CG-CE2 4.39Å; C81-F83 HydrophobicContact CB-CE2 4.28Å; F83-F87 HydrophobicContact CB-CD2 3.88Å; F83-F87 HydrophobicContact CB-CE2 4.3Å; F83-F87 HydrophobicContact CD1-CD2 4.27Å; F83-F87 AromaticContact CD1-CE2 3.9Å; F83-F87 HydrophobicContact CD1-CE2 3.9Å; F83-F87 HydrophobicContact CD1-CZ 4.29Å; F83-F87 HydrophobicContact CG-CD2 4.32Å; F83-F87 HydrophobicContact CG-CE2 4.41Å
84	E	56.1	Low	64	Low	172 Å²	172	74.9 Å²	74.9	80%	0.804	41%	0.412	S	S	*	.			trans	-66.7	153.4	172.8	-67.1	179	171.9	0	0	111.2	S86	E84-S86 PolarHBondContact O-N 2.93Å
85	D	46.6	Very low	62	Low	174 Å²	174	72.8 Å²	72.8	93%	0.93	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	8.7	-160.7	-67.1	-49.2	0	0	0	117.6
86	S	51	Low	60.1	Low	77 Å²	77	71.2 Å²	71.2	54%	0.538	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-14	176.3	60.9	0	0	0	0	114.5	Y47 E84 S88	Y47-S86 PolarHBondContact OH-O 3.49Å; E84-S86 PolarHBondContact O-N 2.93Å; S86-S88 PolarHBondContact O-N 2.94Å
87	F	56.8	Low	58.3	Low	42 Å²	42	72.5 Å²	72.5	18%	0.184	41%	0.411	C	S	.	.			trans	-89.2	86.4	-178.7	-75.8	-93	0	0	0	113.2	L45 Y47 F69 L73 F83 D89	L45-F87 HydrophobicContact CB-CZ 4.15Å; Y47-F87 HydrophobicContact CD1-CD1 4.42Å; Y47-F87 HydrophobicContact CD1-CE1 4.24Å; Y47-F87 HydrophobicContact CE1-CD1 4.39Å; F69-F87 HydrophobicContact CE1-CE1 4.13Å; F69-F87 AromaticContact CZ-CE1 3.81Å; F69-F87 HydrophobicContact CZ-CE1 3.81Å; F69-F87 HydrophobicContact CZ-CZ 4.46Å; L73-F87 HydrophobicContact CD1-CD1 3.96Å; L73-F87 HydrophobicContact CD1-CE1 3.98Å; L73-F87 HydrophobicContact CD2-CD1 4.19Å; F83-F87 HydrophobicContact CB-CD2 3.88Å; F83-F87 HydrophobicContact CB-CE2 4.3Å; F83-F87 HydrophobicContact CD1-CD2 4.27Å; F83-F87 AromaticContact CD1-CE2 3.9Å; F83-F87 HydrophobicContact CD1-CE2 3.9Å; F83-F87 HydrophobicContact CD1-CZ 4.29Å; F83-F87 HydrophobicContact CG-CD2 4.32Å; F83-F87 HydrophobicContact CG-CE2 4.41Å; F87-D89 PolarHBondContact O-N 3.37Å
88	S	50.1	Low	56.1	Low	58 Å²	58	74.2 Å²	74.2	41%	0.406	42%	0.423	S	S	.	.			trans	-66.9	120	167.5	68.7	0	0	0	0	110.9	S86 D90 F91	S86-S88 PolarHBondContact O-N 2.94Å; S88-D90 PolarHBondContact O-N 2.71Å; S88-F91 PolarHBondContact O-N 2.93Å
89	D	50.3	Low	54.1	Low	90 Å²	90	73.1 Å²	73.1	48%	0.481	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-59.3	-17.5	-176	-107.5	-38.7	0	0	0	115	K77 F87 F91 C92 T93	K77-D89 IonicContact NZ-OD1 2.69Å; K77-D89 PolarHBondContact NZ-OD1 3.22Å; K77-D89 IonicContact NZ-OD2 3.14Å; K77-D89 PolarHBondContact NZ-OD2 2.69Å; F87-D89 PolarHBondContact O-N 3.37Å; D89-F91 PolarHBondContact O-N 2.68Å; D89-C92 PolarHBondContact O-N 2.04Å; D89-T93 PolarHBondContact O-N 3.08Å; D89-T93 PolarHBondContact O-OG1 2.8Å
90	D	54.7	Low	51.8	Low	111 Å²	111	80.4 Å²	80.4	59%	0.594	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-54.2	-20.4	177	-70.5	-9.8	0	0	0	114.5	S88 T93	S88-D90 PolarHBondContact O-N 2.71Å; D90-T93 WeakPolarHBondContact CA-OG1 3.09Å; D90-T93 PolarHBondContact O-OG1 3.44Å
91	F	60	Low	49.7	Very low	44 Å²	44	87 Å²	87	19%	0.193	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-83.8	-36.8	-173.3	-170.6	-100	0	0	0	114.4	F57 K66 S88 D89	F57-F91 AromaticContact CD1-CE1 3.9Å; F57-F91 HydrophobicContact CD1-CE1 3.9Å; F57-F91 HydrophobicContact CD1-CZ 4.43Å; F57-F91 AromaticContact CE1-CD1 3.78Å; F57-F91 HydrophobicContact CE1-CD1 3.78Å; F57-F91 AromaticContact CE1-CE1 3.12Å; F57-F91 HydrophobicContact CE1-CE1 3.12Å; F57-F91 HydrophobicContact CE1-CE2 4.19Å; F57-F91 AromaticContact CE1-CZ 3.4Å; F57-F91 HydrophobicContact CE1-CZ 3.4Å; F57-F91 AromaticContact CE2-CE1 3.99Å; F57-F91 HydrophobicContact CE2-CE1 3.99Å; F57-F91 AromaticContact CE2-CZ 3.61Å; F57-F91 HydrophobicContact CE2-CZ 3.61Å; F57-F91 HydrophobicContact CZ-CD1 4.19Å; F57-F91 AromaticContact CZ-CE1 3.21Å; F57-F91 HydrophobicContact CZ-CE1 3.21Å; F57-F91 AromaticContact CZ-CE2 3.67Å; F57-F91 HydrophobicContact CZ-CE2 3.67Å; F57-F91 AromaticContact CZ-CZ 2.91Å; F57-F91 HydrophobicContact CZ-CZ 2.91Å; K66-F91 HydrophobicContact CB-CE1 4.41Å; K66-F91 HydrophobicContact CB-CZ 4.28Å; K66-F91 HydrophobicContact CD-CE1 3.85Å; K66-F91 HydrophobicContact CD-CE2 4.12Å; K66-F91 HydrophobicContact CD-CZ 3.36Å; K66-F91 WeakPolarHBondContact CE-O 3.16Å; K66-F91 HydrophobicContact CG-CE1 3.63Å; K66-F91 HydrophobicContact CG-CZ 3.61Å; K66-F91 PolarHBondContact NZ-O 3.49Å; S88-F91 PolarHBondContact O-N 2.93Å; D89-F91 PolarHBondContact O-N 2.68Å
92	C	65.8	Low	47.4	Very low	11 Å²	11	95.6 Å²	95.6	7%	0.074	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	3.3	-175.1	-73.5	0	0	0	0	114.1	C70 L73 R74 D89 I94	C70-C92 WeakPolarHBondContact CA-SG 3.4Å; C70-C92 HydrophobicContact CB-CB 3.55Å; C70-C92 WeakPolarHBondContact CB-SG 3.33Å; C70-C92 WeakPolarHBondContact SG-CA 3.4Å; C70-C92 WeakPolarHBondContact SG-CB 3.36Å; C70-C92 CovalentContact SG-SG 2.04Å; C70-C92 PolarHBondContact SG-SG 3.05Å; L73-C92 HydrophobicContact CD2-CB 4.1Å; R74-C92 PolarHBondContact NH2-O 3.22Å; D89-C92 PolarHBondContact O-N 2.04Å; C92-I94 PolarHBondContact O-N 3.43Å
93	T	54.4	Low	45.6	Very low	56 Å²	56	95.7 Å²	95.7	34%	0.344	49%	0.485	S	S	.	.	S	Bend	trans	-66.2	124.8	165.6	17	0	0	0	0	109.4	D89 D90	D89-T93 PolarHBondContact O-N 3.08Å; D89-T93 PolarHBondContact O-OG1 2.8Å; D90-T93 WeakPolarHBondContact CA-OG1 3.09Å; D90-T93 PolarHBondContact O-OG1 3.44Å
94	I	45.9	Very low	43.8	Very low	23 Å²	23	99.8 Å²	99.8	12%	0.118	51%	0.505	C	S	.	.			trans	69.2	101.8	172.5	-45.4	165.7	0	0	0	114	C92 L97 F444 F477 Q478	C92-I94 PolarHBondContact O-N 3.43Å; I94-L97 HydrophobicContact CG2-CD1 4.38Å; I94-F444 HydrophobicContact CB-CE2 4.02Å; I94-F444 HydrophobicContact CB-CZ 4.33Å; I94-F444 HydrophobicContact CG2-CE2 3.63Å; I94-F444 HydrophobicContact CG2-CZ 3.89Å; I94-F444 WeakPolarHBondContact O-CZ 3.38Å; I94-F477 VanDerWaalsContact CD1-C 3.45Å; I94-F477 HydrophobicContact CD1-CB 3.46Å; I94-F477 VanDerWaalsContact CD1-CB 3.46Å; I94-Q478 HydrophobicContact CD1-CG 4.02Å
95	H	38.2	Very low	42.6	Very low	59 Å²	59	99.6 Å²	99.6	27%	0.273	50%	0.504	S	S	.	.			trans	-143.1	83.1	157.1	-134.2	-88.3	0	0	0	106.6	L67	L67-H95 HydrophobicContact CD1-CB 4.11Å
96	S	39.5	Very low	41.6	Very low	31 Å²	31	100.8 Å²	100.8	22%	0.217	50%	0.501	C	S	.	.			trans	-150.1	-31.2	-169.6	-178.1	0	0	0	0	111	L98 G99 P482 E486	S96-L98 PolarHBondContact O-N 3.1Å; S96-G99 PolarHBondContact O-N 2.97Å; S96-P482 WeakPolarHBondContact OG-CD 3.43Å; S96-E486 PolarHBondContact OG-OE2 3.07Å
97	L	37.9	Very low	40.6	Very low	31 Å²	31	103 Å²	103	16%	0.162	51%	0.512	C	S	.	.			trans	-56.2	-17	177.8	-78.4	164.1	0	0	0	115	I94 G99 F444 P482	I94-L97 HydrophobicContact CG2-CD1 4.38Å; L97-G99 PolarHBondContact O-N 3.01Å; L97-F444 HydrophobicContact CD1-CB 3.97Å; L97-F444 HydrophobicContact CD1-CD1 4.03Å; L97-F444 HydrophobicContact CD1-CD2 3.62Å; L97-F444 HydrophobicContact CD1-CE1 4.45Å; L97-F444 HydrophobicContact CD1-CE2 4.09Å; L97-F444 HydrophobicContact CD1-CG 3.58Å; L97-F444 HydrophobicContact CD1-CZ 4.49Å; L97-P482 HydrophobicContact CD2-CG 4.04Å; L97-P482 HydrophobicContact CG-CG 4.23Å
98	L	32.6	Very low	39.2	Very low	120 Å²	120	106.8 Å²	106.8	63%	0.628	54%	0.538	S	S	*	.			trans	-77.8	54.3	169.7	-75.8	159.5	0	0	0	112.1	S96 R100	S96-L98 PolarHBondContact O-N 3.1Å; L98-R100 PolarHBondContact O-N 3.2Å
99	G	32.1	Very low	38.3	Very low	64 Å²	64	113.9 Å²	113.9	66%	0.66	56%	0.562	S	S	*	*			trans	-69.6	121.1	166.5	0	0	0	0	0	110.7	S96 L97	S96-G99 PolarHBondContact O-N 2.97Å; L97-G99 PolarHBondContact O-N 3.01Å
100	R	31.2	Very low	37.3	Very low	236 Å²	236	115.3 Å²	115.3	89%	0.891	57%	0.569	S	S	*	*			trans	-56.1	136.7	-171.5	-66.9	175.3	174.4	177.8	-3.3	114.1	L98	L98-R100 PolarHBondContact O-N 3.2Å
101	R	29.3	Very low	36.1	Very low	198 Å²	198	115.7 Å²	115.7	75%	0.747	58%	0.58	S	S	*	*			trans	35.2	95.8	156.6	-59.3	-170.8	-168.5	-176.1	8.5	117.1	E104	R101-E104 WeakPolarHBondContact CD-OE2 3.28Å; R101-E104 IonicContact CZ-OE2 3.98Å; R101-E104 IonicContact NE-OE2 2.69Å; R101-E104 IonicContact NH1-OE2 2.85Å; R101-E104 PolarHBondContact NH1-OE2 2.93Å
102	F	30.3	Very low	34.9	Very low	196 Å²	196	121.7 Å²	121.7	86%	0.86	61%	0.607	S	S	*	*	S	Bend	trans	-93.4	113.8	150.5	-98.8	-93.7	0	0	0	109.6
103	L	28.5	Very low	33.1	Very low	163 Å²	163	129.2 Å²	129.2	85%	0.853	65%	0.646	S	S	*	*			trans	60	79.2	165.9	-59.5	169.5	0	0	0	116.9
104	E	28.6	Very low	32	Very low	139 Å²	139	131.8 Å²	131.8	65%	0.65	67%	0.666	S	S	*	*			trans	-72.6	119.7	145	-83.7	173.5	128	0	0	108.7	R101 K106	R101-E104 WeakPolarHBondContact CD-OE2 3.28Å; R101-E104 IonicContact CZ-OE2 3.98Å; R101-E104 IonicContact NE-OE2 2.69Å; R101-E104 IonicContact NH1-OE2 2.85Å; R101-E104 PolarHBondContact NH1-OE2 2.93Å; E104-K106 PolarHBondContact O-N 3.48Å
105	E	30.3	Very low	31.2	Very low	169 Å²	169	140.3 Å²	140.3	79%	0.79	70%	0.703	S	S	*	*			trans	-71.6	117.1	175.1	-173.6	172.7	-175.5	0	0	109.9	T107	E105-T107 PolarHBondContact O-N 3.31Å
106	K	26	Very low	30.7	Very low	198 Å²	198	142.8 Å²	142.8	86%	0.861	72%	0.724	S	S	*	*			trans	-72	89.9	174.2	-84.7	-171.9	173.8	179.2	0	110.8	E104	E104-K106 PolarHBondContact O-N 3.48Å
107	T	29.8	Very low	30.2	Very low	124 Å²	124	150.6 Å²	150.6	76%	0.761	75%	0.754	S	S	*	*			trans	-100.4	68.1	157.1	40.1	0	0	0	0	110.7	E105 K109	E105-T107 PolarHBondContact O-N 3.31Å; T107-K109 PolarHBondContact O-N 3.37Å
108	V	27.1	Very low	29.8	Very low	122 Å²	122	155.5 Å²	155.5	74%	0.739	79%	0.785	S	S	*	*			trans	-76.3	108.1	161.5	177.1	0	0	0	0	108.2
109	K	31.8	Very low	29.5	Very low	207 Å²	207	157 Å²	157	90%	0.9	79%	0.789	S	S	*	*			trans	-150.4	109.1	151.3	-113	178.6	-174.6	-177.4	0	111.2	T107	T107-K109 PolarHBondContact O-N 3.37Å
110	D	28.4	Very low	29.3	Very low	119 Å²	119	162.8 Å²	162.8	64%	0.636	79%	0.792	S	S	*	*			trans	-58.8	146.5	170.5	-80.6	-44.8	0	0	0	112.8	K112	D110-K112 IonicContact OD2-NZ 3.08Å
111	S	31.3	Very low	29.1	Very low	119 Å²	119	156.1 Å²	156.1	83%	0.832	78%	0.781	S	S	*	*			trans	-172.7	105.3	130.7	-78.1	0	0	0	0	107.9
112	K	33	Very low	29	Very low	171 Å²	171	155.1 Å²	155.1	74%	0.743	79%	0.785	S	S	*	*				63.6	100.1	65.4	-68.4	-177.4	177.3	159	0	115.3	D110	D110-K112 IonicContact OD2-NZ 3.08Å
113	N	28.6	Very low	28.9	Very low	169 Å²	169	152.2 Å²	152.2	90%	0.904	78%	0.783	S	S	*	*			trans	-124.4	143.2	135.9	-95.6	-25.3	0	0	0	105.6
114	S	31.9	Very low	28.7	Very low	110 Å²	110	153.9 Å²	153.9	77%	0.769	78%	0.783	S	S	*	*			cis	-150.4	145.7	3	48.2	0	0	0	0	110.2
115	K	28.8	Very low	28.6	Very low	202 Å²	202	154.1 Å²	154.1	88%	0.878	79%	0.794	S	S	*	*			trans	-105.4	147.8	160.3	-87.2	-171	174.2	-173.3	0	108.4
116	P	28	Very low	28.3	Very low	110 Å²	110	150.7 Å²	150.7	71%	0.714	79%	0.789	S	S	*	*			trans	-79.8	134.7	161.7	31.9	-30.3	0	0	0	111
117	K	29.1	Very low	28.4	Very low	196 Å²	196	148.9 Å²	148.9	85%	0.852	79%	0.787	S	S	*	*			trans	65	112.8	158.7	-52.9	173.1	-176.6	-176.6	0	115.2
118	T	29.2	Very low	28.2	Very low	133 Å²	133	147.8 Å²	147.8	82%	0.816	79%	0.79	S	S	*	*				-149.6	132	56.8	30.3	0	0	0	0	114.6
119	E	26.7	Very low	28.2	Very low	151 Å²	151	145.4 Å²	145.4	71%	0.706	79%	0.79	S	S	*	*			trans	41.6	145.2	140.6	-110.7	170.3	136.7	0	0	125.5
120	Y	27.1	Very low	28.2	Very low	187 Å²	187	141.1 Å²	141.1	73%	0.733	79%	0.787	S	S	*	*			trans	81.2	85.5	167.1	-64.8	-70.5	0	0	0	122.3
121	S	27	Very low	28.3	Very low	95 Å²	95	138.7 Å²	138.7	66%	0.664	79%	0.79	S	S	*	*				61.8	103.5	120.5	62.8	0	0	0	0	122.3
122	H	27.3	Very low	28.5	Very low	177 Å²	177	140.6 Å²	140.6	82%	0.819	78%	0.783	S	S	*	*			trans	15.6	123.6	130.3	-76.4	-97.8	0	0	0	120.5
123	V	27.6	Very low	28.8	Very low	136 Å²	136	140.7 Å²	140.7	82%	0.824	79%	0.791	S	S	*	*				-144.6	137.3	120.1	179.4	0	0	0	0	109.2	V125	V123-V125 HydrophobicContact CG1-CG2 4.22Å
124	K	24.6	Very low	29.3	Very low	197 Å²	197	140.6 Å²	140.6	86%	0.857	79%	0.79	S	S	*	*			trans	-95.8	133.9	165.9	-78.9	179.9	174.5	177.6	0	109.7
125	V	27.4	Very low	29.5	Very low	144 Å²	144	139 Å²	139	87%	0.873	77%	0.772	S	S	*	*			trans	-138.2	156.1	155.1	-176.1	0	0	0	0	108.8	V123	V123-V125 HydrophobicContact CG1-CG2 4.22Å
126	S	23.8	Very low	29.9	Very low	98 Å²	98	135.5 Å²	135.5	69%	0.685	77%	0.772	S	S	*	*			trans	-122.9	172.1	-161.6	-156.4	0	0	0	0	112.8
127	I	28	Very low	30.2	Very low	159 Å²	159	136.9 Å²	136.9	82%	0.815	78%	0.782	S	S	*	*			trans	82.3	137.4	154.3	-68.2	154.8	0	0	0	119.9
128	A	25.9	Very low	30.4	Very low	101 Å²	101	131 Å²	131	84%	0.835	77%	0.771	S	S	*	*			trans	79.6	133.6	156.4	0	0	0	0	0	121.4
129	G	26.9	Very low	30.9	Very low	72 Å²	72	130.5 Å²	130.5	74%	0.742	76%	0.762	S	S	*	*			trans	135	100.3	150.5	0	0	0	0	0	116.8
130	S	31.1	Very low	31.4	Very low	118 Å²	118	129.2 Å²	129.2	83%	0.825	77%	0.768	S	S	*	*			trans	-30.3	145.5	153.5	47.4	0	0	0	0	115
131	G	30.5	Very low	31.8	Very low	68 Å²	68	125.8 Å²	125.8	70%	0.701	77%	0.771	S	S	*	*			cis	107.8	87.6	30.9	0	0	0	0	0	110.1
132	F	35.1	Very low	32	Very low	158 Å²	158	127 Å²	127	69%	0.693	78%	0.776	S	S	*	*			trans	-155.9	109.7	178.2	-106.1	-87.2	0	0	0	110.8	L135	F132-L135 HydrophobicContact CD1-CD1 4.07Å; F132-L135 HydrophobicContact CD1-CD2 3.85Å; F132-L135 HydrophobicContact CD1-CG 4.42Å; F132-L135 HydrophobicContact CE1-CD1 3.62Å; F132-L135 HydrophobicContact CE1-CD2 3.57Å; F132-L135 HydrophobicContact CE1-CG 4.18Å
133	L	39.2	Very low	32.6	Very low	173 Å²	173	124.4 Å²	124.4	91%	0.906	78%	0.777	S	S	*	*			trans	-172.6	23.3	154.1	-106.5	162.6	0	0	0	114.7
134	L	39.2	Very low	32.8	Very low	167 Å²	167	127.9 Å²	127.9	87%	0.874	78%	0.781	S	S	*	*			trans	-112.2	76.5	165.9	-83.6	171.3	0	0	0	109.1
135	L	37.2	Very low	33.3	Very low	77 Å²	77	127 Å²	127	40%	0.403	78%	0.78	S	S	.	*			trans	-145.7	39.8	-161.8	-149.7	85.5	0	0	0	116.4	F132 L139	F132-L135 HydrophobicContact CD1-CD1 4.07Å; F132-L135 HydrophobicContact CD1-CD2 3.85Å; F132-L135 HydrophobicContact CD1-CG 4.42Å; F132-L135 HydrophobicContact CE1-CD1 3.62Å; F132-L135 HydrophobicContact CE1-CD2 3.57Å; F132-L135 HydrophobicContact CE1-CG 4.18Å; L135-L139 HydrophobicContact CD1-CD1 3.86Å; L135-L139 HydrophobicContact CD1-CD2 4.05Å; L135-L139 HydrophobicContact CD1-CG 3.73Å; L135-L139 HydrophobicContact CD2-CD1 3.6Å; L135-L139 HydrophobicContact CD2-CG 4.4Å; L135-L139 HydrophobicContact CG-CD1 3.5Å; L135-L139 VanDerWaalsContact CG-CD1 3.5Å; L135-L139 HydrophobicContact CG-CG 3.79Å
136	C	36.2	Very low	33.6	Very low	128 Å²	128	129.9 Å²	129.9	87%	0.865	78%	0.781	S	S	*	*	S	Bend	trans	-129.9	-0.2	167.3	-84.6	0	0	0	0	115
137	C	34.8	Very low	34	Very low	139 Å²	139	133.6 Å²	133.6	94%	0.939	79%	0.787	S	S	*	*	S	Bend	trans	-135.1	17.9	177.1	-60	0	0	0	0	113.9
138	A	34.6	Very low	34.2	Very low	74 Å²	74	137.9 Å²	137.9	61%	0.612	79%	0.793	S	S	*	*	S	Bend	trans	-137.4	9.2	-177.2	0	0	0	0	0	114.4
139	L	38.4	Very low	34.6	Very low	122 Å²	122	143.1 Å²	143.1	64%	0.639	80%	0.797	S	S	*	*	S	Bend	trans	-105.6	5.8	-174.3	-91	-164.9	0	0	0	116.1	L135	L135-L139 HydrophobicContact CD1-CD1 3.86Å; L135-L139 HydrophobicContact CD1-CD2 4.05Å; L135-L139 HydrophobicContact CD1-CG 3.73Å; L135-L139 HydrophobicContact CD2-CD1 3.6Å; L135-L139 HydrophobicContact CD2-CG 4.4Å; L135-L139 HydrophobicContact CG-CD1 3.5Å; L135-L139 VanDerWaalsContact CG-CD1 3.5Å; L135-L139 HydrophobicContact CG-CG 3.79Å
140	C	37.4	Very low	34.8	Very low	123 Å²	123	143.8 Å²	143.8	83%	0.831	80%	0.795	S	S	*	*	S	Bend	trans	-117.3	19.1	179.3	-60.2	0	0	0	0	113.6
141	C	35.1	Very low	34.8	Very low	116 Å²	116	145.8 Å²	145.8	78%	0.784	80%	0.797	S	S	*	*			trans	-130.8	83.9	179	-61.7	0	0	0	0	112
142	P	32.5	Very low	35	Very low	119 Å²	119	148.1 Å²	148.1	77%	0.773	80%	0.802	S	S	*	*			trans	-76.6	118.8	159.3	31.7	-28.3	0	0	0	108.5
143	C	40.2	Very low	34.9	Very low	124 Å²	124	148.5 Å²	148.5	84%	0.838	81%	0.806	S	S	*	*			trans	174.1	78.6	153.5	-100.1	0	0	0	0	112.4
144	F	31.7	Very low	34.7	Very low	208 Å²	208	149.1 Å²	149.1	91%	0.912	80%	0.804	S	S	*	*			trans	-144	84.2	155.4	-100.7	-74.3	0	0	0	109.3
145	H	33.8	Very low	34.3	Very low	180 Å²	180	146.4 Å²	146.4	83%	0.833	79%	0.794	S	S	*	*			trans	176.1	113.4	145.5	-110.5	-81.5	0	0	0	111.2
146	K	34.9	Very low	34.1	Very low	204 Å²	204	150.7 Å²	150.7	89%	0.887	82%	0.817	S	S	*	*				-173	137.2	110	-119.2	176.9	176	176.3	0	112
147	E	32.5	Very low	34.3	Very low	175 Å²	175	149.8 Å²	149.8	82%	0.818	81%	0.809	S	S	*	*			trans	-65.7	149.4	170.7	-62.5	165.3	101.6	0	0	111.4
148	R	30.3	Very low	34.3	Very low	250 Å²	250	151 Å²	151	94%	0.943	80%	0.799	S	S	*	*			trans	-86.7	128.3	161.7	-81.4	179.1	168.2	160.2	-3.6	109.6
149	K	34.4	Very low	34.3	Very low	211 Å²	211	154.4 Å²	154.4	92%	0.917	80%	0.802	S	S	*	*			trans	-113.6	151.3	154.4	-92.5	-177.5	174.6	176.2	0	109.3
150	A	31.2	Very low	34.4	Very low	86 Å²	86	152.7 Å²	152.7	71%	0.711	80%	0.8	S	S	*	*			trans	-108.1	-179	-165.4	0	0	0	0	0	113.5
151	N	32.3	Very low	34.4	Very low	160 Å²	160	153.8 Å²	153.8	86%	0.856	80%	0.798	S	S	*	*			trans	82.3	146	173.4	-51	-10.7	0	0	0	114.2
152	S	35.2	Very low	34.6	Very low	117 Å²	117	153.5 Å²	153.5	82%	0.818	80%	0.797	S	S	*	*			cis	-148.5	171.4	14.5	49.5	0	0	0	0	115
153	H	31.7	Very low	35	Very low	165 Å²	165	152.9 Å²	152.9	76%	0.764	79%	0.791	S	S	*	*			trans	-57.1	155.8	178.1	-75.2	-118.5	0	0	0	117.9
154	E	34.4	Very low	35.1	Very low	186 Å²	186	154.4 Å²	154.4	87%	0.869	79%	0.785	S	S	*	*				168.4	123.2	122.7	-91.5	178.9	156.1	0	0	107.2
155	V	31.6	Very low	35.5	Very low	111 Å²	111	151.9 Å²	151.9	67%	0.673	78%	0.776	S	S	*	*			cis	76.1	96.4	36.1	-167	0	0	0	0	114.8
156	L	33.5	Very low	35.9	Very low	167 Å²	167	148.8 Å²	148.8	87%	0.874	77%	0.77	S	S	*	*				-176.4	143.9	119.1	-97.4	170.1	0	0	0	112.1
157	P	39	Very low	36.2	Very low	108 Å²	108	143.8 Å²	143.8	70%	0.701	76%	0.76	S	S	*	*			trans	-114	170.9	-178.6	41.7	-33	0	0	0	113.8
158	K	35.2	Very low	36.7	Very low	165 Å²	165	140 Å²	140	72%	0.717	75%	0.754	S	S	*	*			trans	-169.7	134.3	150.9	-118.7	173.6	174.3	-102	0	115.9
159	E	35.3	Very low	37.4	Very low	145 Å²	145	136.9 Å²	136.9	68%	0.678	75%	0.747	S	S	*	*			trans	62.5	145.2	135.6	-84.3	161.1	-163.7	0	0	120.7
160	S	40.6	Very low	37.8	Very low	86 Å²	86	135.4 Å²	135.4	60%	0.601	74%	0.744	S	S	*	*			cis	-157.8	153.2	13.7	-91.2	0	0	0	0	113.3
161	N	36.6	Very low	38.5	Very low	146 Å²	146	139.4 Å²	139.4	78%	0.781	75%	0.75	S	S	*	*			trans	46.7	125.3	142.5	-48.5	-22.6	0	0	0	119.7
162	S	38.7	Very low	39.1	Very low	111 Å²	111	136.6 Å²	136.6	78%	0.776	74%	0.743	S	S	*	*				171.9	169.5	73.4	-104.4	0	0	0	0	111
163	V	42.5	Very low	39.9	Very low	105 Å²	105	136.7 Å²	136.7	64%	0.636	74%	0.74	S	S	*	*			cis	-173	146.4	-23.3	126.6	0	0	0	0	109.3
164	H	41.4	Very low	40.5	Very low	157 Å²	157	134 Å²	134	73%	0.727	74%	0.74	S	S	*	*			trans	66	150.1	165.5	-66.8	-14.4	0	0	0	120
165	Q	39.9	Very low	41.3	Very low	154 Å²	154	130.1 Å²	130.1	72%	0.72	73%	0.734	S	S	*	*			cis	-165.1	154.6	-8.3	-115.5	177.5	-20.9	0	0	114.1
166	V	41.9	Very low	41.8	Very low	116 Å²	116	133.2 Å²	133.2	70%	0.703	74%	0.741	S	S	*	*			trans	77.8	109.7	141.9	174.9	0	0	0	0	122.7
167	S	42.1	Very low	42.3	Very low	98 Å²	98	134 Å²	134	69%	0.685	74%	0.737	S	S	*	*			trans	42.4	152.4	133.8	90.4	0	0	0	0	122.7
168	S	42.4	Very low	42.6	Very low	97 Å²	97	136.4 Å²	136.4	68%	0.678	74%	0.742	S	S	*	*			cis	-161.6	158.1	31.7	41.2	0	0	0	0	115
169	F	45.7	Very low	43.1	Very low	184 Å²	184	133.7 Å²	133.7	81%	0.807	74%	0.741	S	S	*	*			trans	4.8	151.9	149.8	-56.6	-90.9	0	0	0	120.3
170	E	42.3	Very low	43.5	Very low	180 Å²	180	135.9 Å²	135.9	84%	0.841	75%	0.752	S	S	*	*			cis	-144.5	148.4	36.6	-67.5	172.6	125.1	0	0	111.2
171	M	45.4	Very low	43.6	Very low	170 Å²	170	136.6 Å²	136.6	84%	0.837	76%	0.757	S	S	*	*				63.7	130.7	73.3	-138.4	130.6	156	0	0	113.6
172	S	46.3	Very low	44.3	Very low	101 Å²	101	135 Å²	135	71%	0.706	75%	0.754	S	S	*	*			cis	-157.7	166.6	13	-130.4	0	0	0	0	112.4
173	P	50.7	Low	44.6	Very low	118 Å²	118	139.5 Å²	139.5	77%	0.766	76%	0.76	S	S	*	*			trans	-113.4	168.2	-179.3	41.1	-32.6	0	0	0	115.1
174	S	45.4	Very low	44.7	Very low	108 Å²	108	145.7 Å²	145.7	76%	0.755	77%	0.772	S	S	*	*			trans	-167	130.8	157.1	51.5	0	0	0	0	114.9
175	S	49.7	Very low	44.8	Very low	106 Å²	106	142.5 Å²	142.5	74%	0.741	77%	0.773	S	S	*	*				54.8	147.9	130	-61.7	0	0	0	0	122.3
176	E	42.3	Very low	45	Very low	175 Å²	175	141 Å²	141	82%	0.818	78%	0.777	S	S	*	*			cis	-155.8	-177.5	-1.6	-128.1	173.1	131	0	0	114.4
177	K	44.9	Very low	45.4	Very low	183 Å²	183	141.8 Å²	141.8	80%	0.796	78%	0.784	S	S	*	*			trans	-65.6	168.1	178.4	-69.2	160.3	174.2	167.5	0	112.2
178	I	44.4	Very low	45.4	Very low	159 Å²	159	143 Å²	143	82%	0.815	79%	0.793	S	S	*	*				-166.3	145.6	67.5	-75.7	159	0	0	0	110.8
179	P	45.7	Very low	45.5	Very low	108 Å²	108	143.9 Å²	143.9	70%	0.701	80%	0.796	S	S	*	*			trans	-111.7	159.4	174.8	40.5	-32.6	0	0	0	115
180	Q	43.9	Very low	45.3	Very low	192 Å²	192	141.2 Å²	141.2	90%	0.897	80%	0.8	S	S	*	*			trans	173.2	156	157.8	-98.7	168.3	45.7	0	0	107.3
181	S	44.5	Very low	45.4	Very low	101 Å²	101	144.1 Å²	144.1	71%	0.706	80%	0.804	S	S	*	*			cis	-161.5	165.5	-24	59.9	0	0	0	0	106.8
182	P	49.2	Very low	45.3	Very low	111 Å²	111	142.7 Å²	142.7	72%	0.721	80%	0.804	S	S	*	*			trans	-99.9	153.1	-164.9	36.9	-33.7	0	0	0	114.7
183	F	46.2	Very low	45.3	Very low	206 Å²	206	143.4 Å²	143.4	90%	0.904	81%	0.806	S	S	*	*			trans	-176.6	141	138.8	-100.8	-62.3	0	0	0	115
184	R	43.7	Very low	44.9	Very low	235 Å²	235	146.6 Å²	146.6	89%	0.887	81%	0.811	S	S	*	*			trans	86.7	109.8	141.9	-164.9	172.2	-101.4	-160.3	-4.7	122.6
185	A	45	Very low	44.7	Very low	90 Å²	90	147 Å²	147	74%	0.744	81%	0.814	S	S	*	*			trans	76.1	135.9	139.6	0	0	0	0	0	122.5
186	P	44.2	Very low	44.8	Very low	124 Å²	124	148 Å²	148	81%	0.805	82%	0.818	S	S	*	*			trans	-107.5	166.8	173.6	41.1	-34	0	0	0	114.2
187	P	49	Very low	45	Very low	131 Å²	131	144.2 Å²	144.2	85%	0.851	81%	0.81	S	S	*	*			trans	-121.9	159.2	156.8	35.1	-22.5	0	0	0	114.8
188	S	41.9	Very low	45.3	Very low	124 Å²	124	146.9 Å²	146.9	87%	0.867	82%	0.816	S	S	*	*			trans	-78.9	170.9	-170.3	-64.4	0	0	0	0	115.4
189	P	44.4	Very low	45.4	Very low	116 Å²	116	149 Å²	149	75%	0.753	82%	0.815	S	S	*	*			trans	-104	156.4	-156.1	39.1	-35.1	0	0	0	115.8
190	S	42.2	Very low	45	Very low	128 Å²	128	148.3 Å²	148.3	90%	0.895	82%	0.818	S	S	*	*			trans	-171.6	111.4	150.1	-87.4	0	0	0	0	113.1
191	R	44.6	Very low	45	Very low	241 Å²	241	147.9 Å²	147.9	91%	0.909	82%	0.818	S	S	*	*			trans	-157.7	116.3	151.4	-168.1	168.4	-79.8	-155.1	-3.4	110.2	P193	R191-P193 WeakPolarHBondContact O-CD 3.43Å
192	V	43.9	Very low	45.2	Very low	139 Å²	139	148 Å²	148	84%	0.842	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-80.4	128.2	173.3	177.8	0	0	0	0	109.5
193	P	44.9	Very low	45.1	Very low	116 Å²	116	148.7 Å²	148.7	75%	0.753	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-95.5	144.9	165	-6.1	26.9	0	0	0	111.8	R191	R191-P193 WeakPolarHBondContact O-CD 3.43Å
194	Q	43.6	Very low	44.9	Very low	185 Å²	185	150.3 Å²	150.3	86%	0.864	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-68.3	153.9	-169.7	-64.1	154.3	-12.1	0	0	114.6	P196	Q194-P196 WeakPolarHBondContact O-CD 3.22Å
195	S	41.1	Very low	45.1	Very low	118 Å²	118	143.2 Å²	143.2	83%	0.825	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-61.5	122.4	178.1	-45	0	0	0	0	113.2
196	P	51.5	Low	45.2	Very low	126 Å²	126	144.6 Å²	144.6	82%	0.818	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-69.9	143.4	174.6	-20.9	34.3	0	0	0	113.4	Q194	Q194-P196 WeakPolarHBondContact O-CD 3.22Å
197	S	46.7	Very low	45.8	Very low	95 Å²	95	146.2 Å²	146.2	66%	0.664	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-50.3	146	-176	179.1	0	0	0	0	115.5	Y199	S197-Y199 PolarHBondContact O-N 2.74Å
198	R	50.8	Low	46.1	Very low	239 Å²	239	148.9 Å²	148.9	90%	0.902	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	7.8	-177.5	-121.7	178.5	-72.1	165.7	-2.3	115.5
199	Y	46.9	Very low	47.3	Very low	204 Å²	204	145.3 Å²	145.3	80%	0.8	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.1	40.7	-174.4	-62.4	-83.7	0	0	0	113.4	S197 M201	S197-Y199 PolarHBondContact O-N 2.74Å; Y199-M201 PolarHBondContact O-N 2.69Å
200	A	37.7	Very low	48.9	Very low	93 Å²	93	144 Å²	144	77%	0.769	78%	0.783	S	S	*	*			trans	-71.4	112	167.3	0	0	0	0	0	110.1
201	M	43.5	Very low	51	Low	184 Å²	184	139 Å²	139	91%	0.906	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-67.5	135.1	172.7	-62.2	-136.8	89.1	0	0	110.3	Y199	Y199-M201 PolarHBondContact O-N 2.69Å
202	S	47.4	Very low	53	Low	104 Å²	104	134.2 Å²	134.2	73%	0.727	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-57.6	144.1	173.6	-48	0	0	0	0	111.2	R204	S202-R204 PolarHBondContact O-N 2.91Å
203	P	47.6	Very low	55.2	Low	125 Å²	125	128.6 Å²	128.6	81%	0.812	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-54.1	132.2	172.7	-25.2	34.4	0	0	0	111.5	P205	P203-P205 WeakPolarHBondContact O-CD 3.48Å
204	R	42.1	Very low	57.4	Low	240 Å²	240	126.7 Å²	126.7	91%	0.906	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-64.8	124.8	176.3	-71.3	-178.9	176.7	175.5	-1.3	109.4	S202 S206	S202-R204 PolarHBondContact O-N 2.91Å; R204-S206 PolarHBondContact O-N 3.16Å
205	P	47.8	Very low	59.8	Low	86 Å²	86	120.4 Å²	120.4	56%	0.558	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-69.8	123.7	172.7	27.8	-31.6	0	0	0	109.7	P203 R207	P203-P205 WeakPolarHBondContact O-CD 3.48Å; P205-R207 VanDerWaalsContact C-N 3.27Å; P205-R207 PolarHBondContact O-N 2.95Å
206	S	47.7	Very low	62.3	Low	119 Å²	119	118.8 Å²	118.8	83%	0.832	65%	0.65	S	S	*	*	S	Bend	trans	-80.3	11.8	-166.9	41.7	0	0	0	0	115.9	R204	R204-S206 PolarHBondContact O-N 3.16Å
207	R	55.5	Low	64.4	Low	157 Å²	157	115.8 Å²	115.8	59%	0.592	63%	0.625	S	S	*	*			trans	-139.8	125.9	172.8	-53.8	-172.8	-160.5	-142.2	10.7	109.3	P205 D246	P205-R207 VanDerWaalsContact C-N 3.27Å; P205-R207 PolarHBondContact O-N 2.95Å; R207-D246 IonicContact CZ-OD2 2.67Å; R207-D246 IonicContact NH2-OD2 2.65Å; R207-D246 PolarHBondContact NH2-OD2 2.79Å
208	L	57.2	Low	66.7	Low	187 Å²	187	111.2 Å²	111.2	98%	0.979	59%	0.593	S	S	*	*	S	Bend	trans	-86.2	-11	-177.5	-94.4	86.1	0	0	0	114.5
209	G	66.5	Low	68.8	Low	49 Å²	49	102.2 Å²	102.2	51%	0.505	56%	0.563	S	S	.	*	S	Bend	trans	-105.1	167.5	178.8	0	0	0	0	0	113.3
210	P	78.5	Confident	71.1	Confident	89 Å²	89	97.1 Å²	97.1	58%	0.578	55%	0.553	S	S	*	*			trans	-56.3	143.5	168.2	-22.9	34	0	0	0	112.2	N212 L286	P210-N212 PolarHBondContact O-N 3.3Å; P210-N212 VanDerWaalsContact O-N 3.14Å; P210-L286 CarbonylContact C-O 3.54Å; P210-L286 WeakPolarHBondContact CA-O 3.39Å
211	L	84.7	Confident	73.9	Confident	22 Å²	22	92.9 Å²	92.9	12%	0.115	52%	0.518	C	S	.	.			trans	-75.6	96.2	176.4	-174.3	77.5	0	0	0	109.7	L213 L244 L286 I298	L211-L213 HydrophobicContact CD1-CD2 4.08Å; L211-L213 HydrophobicContact CD2-CD1 3.83Å; L211-L213 HydrophobicContact CD2-CD2 3.86Å; L211-L213 HydrophobicContact CD2-CG 3.71Å; L211-L213 HydrophobicContact CG-CD1 4.48Å; L211-L213 HydrophobicContact CG-CD2 3.76Å; L211-L213 HydrophobicContact CG-CG 3.81Å; L211-L213 PolarHBondContact O-N 3.39Å; L211-L213 VanDerWaalsContact O-N 3.11Å; L211-L244 HydrophobicContact CD1-CD1 4.34Å; L211-L244 HydrophobicContact CD2-CD1 3.6Å; L211-L286 HydrophobicContact CB-CB 4.31Å; L211-L286 WeakPolarHBondContact CB-O 3.43Å; L211-L286 HydrophobicContact CD2-CB 4.43Å; L211-L286 PolarHBondContact N-O 2.89Å; L211-I298 HydrophobicContact CD2-CG2 4.14Å
212	N	88	Confident	76.5	Confident	141 Å²	141	84.1 Å²	84.1	75%	0.754	48%	0.475	S	S	*	.			trans	-80.3	85.1	175.7	-65.5	-29.3	0	0	0	110.3	P210	P210-N212 PolarHBondContact O-N 3.3Å; P210-N212 VanDerWaalsContact O-N 3.14Å
213	L	89.7	Confident	78.8	Confident	21 Å²	21	81 Å²	81	11%	0.11	46%	0.459	C	S	.	.			trans	-84.6	139.4	173.2	-61.2	-175.4	0	0	0	111.7	L211 I218 L244 I298	L211-L213 HydrophobicContact CD1-CD2 4.08Å; L211-L213 HydrophobicContact CD2-CD1 3.83Å; L211-L213 HydrophobicContact CD2-CD2 3.86Å; L211-L213 HydrophobicContact CD2-CG 3.71Å; L211-L213 HydrophobicContact CG-CD1 4.48Å; L211-L213 HydrophobicContact CG-CD2 3.76Å; L211-L213 HydrophobicContact CG-CG 3.81Å; L211-L213 PolarHBondContact O-N 3.39Å; L211-L213 VanDerWaalsContact O-N 3.11Å; L213-I218 HydrophobicContact CB-CD1 3.96Å; L213-I218 HydrophobicContact CB-CG1 3.74Å; L213-I218 HydrophobicContact CD1-CD1 4.41Å; L213-I218 HydrophobicContact CD1-CG1 3.75Å; L213-I218 HydrophobicContact CG-CG1 4.41Å; L213-L244 HydrophobicContact CD1-CD2 3.6Å; L213-L244 HydrophobicContact CD2-CD1 4.49Å; L213-L244 HydrophobicContact CD2-CD2 4.25Å; L213-I298 HydrophobicContact CB-CD1 4.26Å; L213-I298 HydrophobicContact CD1-CD1 3.81Å; L213-I298 HydrophobicContact CG-CD1 4.08Å
214	T	91.8	Very high	81	Confident	76 Å²	76	80.9 Å²	80.9	47%	0.466	45%	0.451	S	S	.	.			trans	-75.4	155.8	164.5	64.3	0	0	0	0	110.9	S216 Q217 I218	T214-S216 PolarHBondContact O-N 3.2Å; T214-Q217 PolarHBondContact O-N 2.71Å; T214-Q217 VanDerWaalsContact O-N 3.11Å; T214-Q217 WeakPolarHBondContact OG1-CG 3.19Å; T214-Q217 PolarHBondContact OG1-N 2.7Å; T214-Q217 PolarHBondContact OG1-OE1 3.16Å; T214-I218 PolarHBondContact O-N 3.36Å
215	M	93.2	Very high	83.6	Confident	53 Å²	53	70.3 Å²	70.3	26%	0.261	41%	0.412	S	S	.	.	H	α-helix	trans	-58.2	-31.2	172.6	-76.6	-56.1	-53.8	0	0	112.6	I218 N219 F225 V289 E294 L296	M215-I218 PolarHBondContact O-N 2.81Å; M215-I218 HydrophobicContact SD-CD1 4.35Å; M215-N219 VanDerWaalsContact O-CB 3.27Å; M215-N219 WeakPolarHBondContact O-CB 3.42Å; M215-N219 PolarHBondContact O-N 3.36Å; M215-N219 PolarHBondContact O-OD1 2.77Å; M215-F225 HydrophobicContact CE-CE2 4.15Å; M215-F225 HydrophobicContact CE-CZ 4.21Å; M215-V289 HydrophobicContact SD-CG1 4.18Å; M215-E294 HydrophobicContact CE-CB 4.48Å; M215-E294 HydrophobicContact CE-CG 3.92Å; M215-E294 HydrophobicContact SD-CB 4.07Å; M215-E294 HydrophobicContact SD-CG 4.09Å; M215-L296 HydrophobicContact CE-CD1 4.03Å; M215-L296 HydrophobicContact SD-CD1 3.57Å; M215-L296 VanDerWaalsContact SD-CD1 3.57Å
216	S	93.5	Very high	85.8	Confident	84 Å²	84	67.8 Å²	67.8	59%	0.587	40%	0.398	S	S	*	.	H	α-helix	trans	-63.6	-45	175	-175.4	0	0	0	0	111.7	T214 N219 T220	T214-S216 PolarHBondContact O-N 3.2Å; S216-N219 PolarHBondContact O-N 3.43Å; S216-T220 PolarHBondContact O-N 2.04Å; S216-T220 PolarHBondContact O-OG1 3.22Å; S216-T220 VanDerWaalsContact O-OG1 3.09Å
217	Q	94.7	Very high	88.1	Confident	63 Å²	63	68.6 Å²	68.6	29%	0.294	39%	0.394	S	S	.	.	H	α-helix	trans	-65.6	-38.8	176.5	-71.1	164.8	-61.4	0	0	112.3	T214 T220 A221	T214-Q217 PolarHBondContact O-N 2.71Å; T214-Q217 VanDerWaalsContact O-N 3.11Å; T214-Q217 WeakPolarHBondContact OG1-CG 3.19Å; T214-Q217 PolarHBondContact OG1-N 2.7Å; T214-Q217 PolarHBondContact OG1-OE1 3.16Å; Q217-T220 PolarHBondContact O-N 2.85Å; Q217-A221 WeakPolarHBondContact O-CB 3.33Å; Q217-A221 PolarHBondContact O-N 2.98Å
218	I	95.1	Very high	90	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-65.4	-43.2	176.1	-66.2	175.1	0	0	0	111.1	L213 T214 M215 A221 T222 F225 I252 V289 L296 I298	L213-I218 HydrophobicContact CB-CD1 3.96Å; L213-I218 HydrophobicContact CB-CG1 3.74Å; L213-I218 HydrophobicContact CD1-CD1 4.41Å; L213-I218 HydrophobicContact CD1-CG1 3.75Å; L213-I218 HydrophobicContact CG-CG1 4.41Å; T214-I218 PolarHBondContact O-N 3.36Å; M215-I218 PolarHBondContact O-N 2.81Å; M215-I218 HydrophobicContact SD-CD1 4.35Å; I218-A221 PolarHBondContact O-N 3.43Å; I218-T222 HydrophobicContact CG2-CG2 4.43Å; I218-T222 WeakPolarHBondContact O-CB 3.07Å; I218-T222 WeakPolarHBondContact O-CG2 3.02Å; I218-T222 PolarHBondContact O-N 3.47Å; I218-T222 PolarHBondContact O-OG1 3.23Å; I218-F225 HydrophobicContact CG2-CE1 3.89Å; I218-F225 HydrophobicContact CG2-CE2 4.42Å; I218-F225 HydrophobicContact CG2-CZ 3.53Å; I218-I252 HydrophobicContact CG1-CD1 4.43Å; I218-I252 HydrophobicContact CG2-CD1 3.93Å; I218-I252 HydrophobicContact CG2-CG2 4.36Å; I218-V289 HydrophobicContact CD1-CG2 3.6Å; I218-L296 HydrophobicContact CD1-CD1 3.46Å; I218-L296 VanDerWaalsContact CD1-CD1 3.46Å; I218-L296 HydrophobicContact CG2-CD1 3.95Å; I218-I298 HydrophobicContact CD1-CD1 4.21Å
219	N	95.6	Very high	91.9	Very high	50 Å²	50	60.2 Å²	60.2	27%	0.267	37%	0.368	S	S	.	.	H	α-helix	trans	-60	-48.9	175.9	-76.8	-0.3	0	0	0	110.8	M215 S216 A221 T222 G223 N224 F225	M215-N219 VanDerWaalsContact O-CB 3.27Å; M215-N219 WeakPolarHBondContact O-CB 3.42Å; M215-N219 PolarHBondContact O-N 3.36Å; M215-N219 PolarHBondContact O-OD1 2.77Å; S216-N219 PolarHBondContact O-N 3.43Å; N219-A221 PolarHBondContact O-N 3.01Å; N219-T222 PolarHBondContact O-N 3.15Å; N219-T222 PolarHBondContact O-OG1 2.82Å; N219-G223 PolarHBondContact O-N 3.41Å; N219-N224 WeakPolarHBondContact CB-OD1 3.2Å; N219-N224 PolarHBondContact O-N 3.46Å; N219-F225 VanDerWaalsContact OD1-CE2 3.31Å; N219-F225 WeakPolarHBondContact OD1-CE2 3.31Å
220	T	96.4	Very high	93.3	Very high	96 Å²	96	61.3 Å²	61.3	59%	0.589	36%	0.36	S	S	*	.	H	α-helix	trans	-56.9	-51	173.8	-58.4	0	0	0	0	111.4	S216 Q217 T222 G223	S216-T220 PolarHBondContact O-N 2.04Å; S216-T220 PolarHBondContact O-OG1 3.22Å; S216-T220 VanDerWaalsContact O-OG1 3.09Å; Q217-T220 PolarHBondContact O-N 2.85Å; T220-T222 PolarHBondContact O-N 3.01Å; T220-G223 PolarHBondContact O-N 3.43Å
221	A	96.4	Very high	94	Very high	5 Å²	5	61 Å²	61	4%	0.041	35%	0.352	C	S	.	.	H	α-helix	trans	-62.5	-27	-176.4	0	0	0	0	0	114.2	Q217 I218 N219 G242 V243 L244	Q217-A221 WeakPolarHBondContact O-CB 3.33Å; Q217-A221 PolarHBondContact O-N 2.98Å; I218-A221 PolarHBondContact O-N 3.43Å; N219-A221 PolarHBondContact O-N 3.01Å; A221-G242 VanDerWaalsContact O-CA 3.29Å; A221-G242 WeakPolarHBondContact O-CA 3.48Å; A221-V243 VanDerWaalsContact CA-O 3.22Å; A221-V243 WeakPolarHBondContact CA-O 3.34Å; A221-V243 WeakPolarHBondContact CB-O 3.38Å; A221-V243 PolarHBondContact O-N 3.41Å; A221-L244 HydrophobicContact CB-CD2 4.06Å
222	T	96.4	Very high	94.2	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-107.2	3.9	-177.1	59.5	0	0	0	0	114.1	I218 N219 T220 N224 F225 A226 F240 I252	I218-T222 HydrophobicContact CG2-CG2 4.43Å; I218-T222 WeakPolarHBondContact O-CB 3.07Å; I218-T222 WeakPolarHBondContact O-CG2 3.02Å; I218-T222 PolarHBondContact O-N 3.47Å; I218-T222 PolarHBondContact O-OG1 3.23Å; N219-T222 PolarHBondContact O-N 3.15Å; N219-T222 PolarHBondContact O-OG1 2.82Å; T220-T222 PolarHBondContact O-N 3.01Å; T222-N224 VanDerWaalsContact C-N 3.34Å; T222-N224 PolarHBondContact O-N 3.38Å; T222-F225 HydrophobicContact CG2-CD1 4.23Å; T222-F225 HydrophobicContact CG2-CE1 4.3Å; T222-F225 PolarHBondContact O-N 2.98Å; T222-F225 VanDerWaalsContact O-N 3.16Å; T222-F225 PolarHBondContact OG1-N 2.92Å; T222-F225 VanDerWaalsContact OG1-N 3.07Å; T222-A226 PolarHBondContact O-N 3.36Å; T222-A226 VanDerWaalsContact O-N 3.15Å; T222-F240 HydrophobicContact CG2-CB 4.08Å; T222-I252 HydrophobicContact CG2-CD1 3.9Å
223	G	95.7	Very high	94.3	Very high	38 Å²	38	60.1 Å²	60.1	39%	0.392	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	40.1	-174.1	0	0	0	0	0	113.2	N219 T220 A226	N219-G223 PolarHBondContact O-N 3.41Å; T220-G223 PolarHBondContact O-N 3.43Å; G223-A226 WeakPolarHBondContact O-CB 3.4Å; G223-A226 PolarHBondContact O-N 2.82Å
224	N	95.4	Very high	93.8	Very high	122 Å²	122	61 Å²	61	65%	0.652	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	41.6	-168.6	-60.6	-53.8	0	0	0	113.7	N219 T222	N219-N224 WeakPolarHBondContact CB-OD1 3.2Å; N219-N224 PolarHBondContact O-N 3.46Å; T222-N224 VanDerWaalsContact C-N 3.34Å; T222-N224 PolarHBondContact O-N 3.38Å
225	F	95	Very high	93	Very high	19 Å²	19	60.3 Å²	60.3	8%	0.083	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	43.4	-174.2	-54.4	-81.9	0	0	0	113.3	M215 I218 N219 T222 F240 I252 R254 L296	M215-F225 HydrophobicContact CE-CE2 4.15Å; M215-F225 HydrophobicContact CE-CZ 4.21Å; I218-F225 HydrophobicContact CG2-CE1 3.89Å; I218-F225 HydrophobicContact CG2-CE2 4.42Å; I218-F225 HydrophobicContact CG2-CZ 3.53Å; N219-F225 VanDerWaalsContact OD1-CE2 3.31Å; N219-F225 WeakPolarHBondContact OD1-CE2 3.31Å; T222-F225 HydrophobicContact CG2-CD1 4.23Å; T222-F225 HydrophobicContact CG2-CE1 4.3Å; T222-F225 PolarHBondContact O-N 2.98Å; T222-F225 VanDerWaalsContact O-N 3.16Å; T222-F225 PolarHBondContact OG1-N 2.92Å; T222-F225 VanDerWaalsContact OG1-N 3.07Å; F225-F240 HydrophobicContact CB-CD1 4.24Å; F225-F240 HydrophobicContact CB-CE1 3.86Å; F225-F240 HydrophobicContact CB-CE2 4.18Å; F225-F240 HydrophobicContact CB-CZ 3.82Å; F225-F240 HydrophobicContact CD1-CD1 4.46Å; F225-F240 AromaticContact CD1-CD2 3.62Å; F225-F240 HydrophobicContact CD1-CD2 3.62Å; F225-F240 AromaticContact CD1-CE2 3.78Å; F225-F240 HydrophobicContact CD1-CE2 3.78Å; F225-F240 AromaticContact CD1-CG 3.98Å; F225-F240 HydrophobicContact CD1-CG 3.98Å; F225-F240 HydrophobicContact CD1-CZ 4.3Å; F225-F240 HydrophobicContact CE1-CD2 4.36Å; F225-F240 HydrophobicContact CG-CE2 4.39Å; F225-F240 VanDerWaalsContact O-CE1 3.27Å; F225-F240 WeakPolarHBondContact O-CE1 3.49Å; F225-I252 HydrophobicContact CE1-CG2 4.47Å; F225-R254 VanDerWaalsContact CD2-NH1 3.29Å; F225-R254 HydrophobicContact CE1-CB 4.44Å; F225-L296 HydrophobicContact CE1-CD2 4.44Å; F225-L296 HydrophobicContact CZ-CD1 4.23Å; F225-L296 HydrophobicContact CZ-CD2 4.29Å
226	A	95.9	Very high	92.1	Very high	32 Å²	32	58.6 Å²	58.6	26%	0.264	36%	0.364	S	S	.	.			trans	-63.8	144.5	178.4	0	0	0	0	0	112.3	T222 G223 S228 H229 Q230	T222-A226 PolarHBondContact O-N 3.36Å; T222-A226 VanDerWaalsContact O-N 3.15Å; G223-A226 WeakPolarHBondContact O-CB 3.4Å; G223-A226 PolarHBondContact O-N 2.82Å; A226-S228 PolarHBondContact O-N 3.48Å; A226-S228 VanDerWaalsContact O-N 3.11Å; A226-H229 WeakPolarHBondContact O-CA 3.37Å; A226-H229 WeakPolarHBondContact O-CB 3.16Å; A226-H229 PolarHBondContact O-N 3.23Å; A226-Q230 PolarHBondContact O-N 3.4Å
227	D	95	Very high	91.8	Very high	137 Å²	137	54.7 Å²	54.7	73%	0.733	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-55.6	-31.2	178.5	-56.3	-13.7	0	0	0	112.7	H229 Q230	D227-H229 PolarHBondContact O-N 3.01Å; D227-Q230 VanDerWaalsContact O-CB 3.31Å; D227-Q230 WeakPolarHBondContact O-CB 3.31Å; D227-Q230 PolarHBondContact O-N 2.87Å
228	S	96.3	Very high	91.7	Very high	108 Å²	108	52.9 Å²	52.9	76%	0.755	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-65.2	-17.2	175.1	55.9	0	0	0	0	114.1	A226	A226-S228 PolarHBondContact O-N 3.48Å; A226-S228 VanDerWaalsContact O-N 3.11Å
229	H	95.5	Very high	91.7	Very high	59 Å²	59	54.8 Å²	54.8	27%	0.273	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-98.6	-7.2	173.2	-76.4	-133.3	0	0	0	112.5	A226 D227 I231 F240 K241	A226-H229 WeakPolarHBondContact O-CA 3.37Å; A226-H229 WeakPolarHBondContact O-CB 3.16Å; A226-H229 PolarHBondContact O-N 3.23Å; D227-H229 PolarHBondContact O-N 3.01Å; H229-I231 PolarHBondContact O-N 3.1Å; H229-F240 HydrophobicContact CB-CD1 4.38Å; H229-F240 CarbonylContact O-C 3.5Å; H229-F240 VanDerWaalsContact O-CA 3.29Å; H229-F240 WeakPolarHBondContact O-CA 3.05Å; H229-K241 PolarHBondContact ND1-O 3.11Å; H229-K241 PolarHBondContact O-N 2.88Å
230	Q	96	Very high	91.8	Very high	73 Å²	73	53 Å²	53	34%	0.341	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	125.8	176.3	-178.6	169.4	-19.9	0	0	110.3	A226 D227 E233 V238 F240	A226-Q230 PolarHBondContact O-N 3.4Å; D227-Q230 VanDerWaalsContact O-CB 3.31Å; D227-Q230 WeakPolarHBondContact O-CB 3.31Å; D227-Q230 PolarHBondContact O-N 2.87Å; Q230-E233 PolarHBondContact NE2-OE2 2.94Å; Q230-V238 HydrophobicContact CB-CG1 4.47Å; Q230-V238 HydrophobicContact CG-CG1 3.61Å; Q230-F240 HydrophobicContact CB-CD1 4.26Å; Q230-F240 HydrophobicContact CB-CE1 4.14Å
231	I	93.9	Very high	91.9	Very high	81 Å²	81	52.1 Å²	52.1	42%	0.415	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	-7.3	179.7	58.2	172.3	0	0	0	113.3	H229 V239 K241 A251 Y301	H229-I231 PolarHBondContact O-N 3.1Å; I231-V239 HydrophobicContact CD1-CG1 3.89Å; I231-V239 HydrophobicContact CG1-CB 4.1Å; I231-V239 HydrophobicContact CG1-CG1 3.84Å; I231-V239 VanDerWaalsContact CG1-O 3.29Å; I231-V239 WeakPolarHBondContact CG1-O 3.46Å; I231-V239 PolarHBondContact N-O 3.13Å; I231-K241 HydrophobicContact CG2-CB 3.85Å; I231-A251 HydrophobicContact CD1-CB 4.22Å; I231-Y301 HydrophobicContact CD1-CD2 3.97Å; I231-Y301 HydrophobicContact CD1-CE2 3.68Å; I231-Y301 HydrophobicContact CG2-CE2 4.46Å
232	G	90	Very high	91.9	Very high	29 Å²	29	51.9 Å²	51.9	30%	0.299	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	179.9	163.2	175.1	0	0	0	0	0	112.3	V239	G232-V239 PolarHBondContact N-O 3.09Å; G232-V239 PolarHBondContact O-N 3.19Å
233	E	89.4	Confident	92	Very high	117 Å²	117	55 Å²	55	55%	0.547	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	143.7	174.6	178.6	175	172.3	0	0	109.5	Q230 V238 K256	Q230-E233 PolarHBondContact NE2-OE2 2.94Å; E233-V238 HydrophobicContact CG-CG2 4.04Å; E233-K256 VanDerWaalsContact OE1-CE 3.32Å; E233-K256 WeakPolarHBondContact OE1-CE 3.39Å; E233-K256 IonicContact OE1-NZ 2.85Å; E233-K256 PolarHBondContact OE1-NZ 3.01Å
234	G	78.5	Confident	92	Very high	38 Å²	38	53.9 Å²	53.9	39%	0.392	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	-175.6	175.7	0	0	0	0	0	112	F236 G237	G234-F236 PolarHBondContact O-N 3.41Å; G234-F236 VanDerWaalsContact O-N 3.13Å; G234-G237 PolarHBondContact N-O 3.44Å; G234-G237 PolarHBondContact O-N 3.02Å; G234-G237 VanDerWaalsContact O-N 3.15Å
235	G	74.5	Confident	91.8	Very high	62 Å²	62	53.8 Å²	53.8	64%	0.639	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.7	-177.9	0	0	0	0	0	114.2
236	F	75.1	Confident	91.7	Very high	18 Å²	18	57 Å²	57	8%	0.079	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-20.2	-180	-57.6	-75.9	0	0	0	114.7	G234 A255 L263 E266 G370 F371	G234-F236 PolarHBondContact O-N 3.41Å; G234-F236 VanDerWaalsContact O-N 3.13Å; F236-A255 VanDerWaalsContact O-CA 3.25Å; F236-A255 WeakPolarHBondContact O-CA 3.27Å; F236-L263 HydrophobicContact CD1-CD2 4.06Å; F236-L263 WeakPolarHBondContact O-CD1 3.43Å; F236-E266 HydrophobicContact CD1-CB 4.44Å; F236-E266 HydrophobicContact CE1-CB 4.18Å; F236-E266 HydrophobicContact CE1-CG 4.5Å; F236-E266 WeakPolarHBondContact CE1-OE2 3.37Å; F236-G370 WeakPolarHBondContact CE1-O 3.44Å; F236-F371 HydrophobicContact CE1-CD1 4.1Å; F236-F371 AromaticContact CE1-CE1 3.9Å; F236-F371 HydrophobicContact CE1-CE1 3.9Å; F236-F371 HydrophobicContact CE1-CZ 4.23Å; F236-F371 HydrophobicContact CE2-CD1 4.45Å; F236-F371 AromaticContact CE2-CD2 3.8Å; F236-F371 HydrophobicContact CE2-CD2 3.8Å; F236-F371 HydrophobicContact CE2-CE1 4.2Å; F236-F371 AromaticContact CE2-CE2 3.57Å; F236-F371 HydrophobicContact CE2-CE2 3.57Å; F236-F371 HydrophobicContact CE2-CG 4.26Å; F236-F371 AromaticContact CE2-CZ 3.78Å; F236-F371 HydrophobicContact CE2-CZ 3.78Å; F236-F371 HydrophobicContact CZ-CB 4.43Å; F236-F371 AromaticContact CZ-CD1 3.46Å; F236-F371 HydrophobicContact CZ-CD1 3.46Å; F236-F371 VanDerWaalsContact CZ-CD1 3.46Å; F236-F371 AromaticContact CZ-CD2 3.57Å; F236-F371 HydrophobicContact CZ-CD2 3.57Å; F236-F371 AromaticContact CZ-CE1 3.34Å; F236-F371 HydrophobicContact CZ-CE1 3.34Å; F236-F371 AromaticContact CZ-CE2 3.52Å; F236-F371 HydrophobicContact CZ-CE2 3.52Å; F236-F371 AromaticContact CZ-CG 3.56Å; F236-F371 HydrophobicContact CZ-CG 3.56Å; F236-F371 AromaticContact CZ-CZ 3.4Å; F236-F371 HydrophobicContact CZ-CZ 3.4Å
237	G	87.1	Confident	91.6	Very high	2 Å²	2	57.8 Å²	57.8	2%	0.021	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.5	177.5	-164	0	0	0	0	0	115.4	G234 R254	G234-G237 PolarHBondContact N-O 3.44Å; G234-G237 PolarHBondContact O-N 3.02Å; G234-G237 VanDerWaalsContact O-N 3.15Å; G237-R254 CarbonylContact C-O 3.47Å; G237-R254 WeakPolarHBondContact CA-O 3.36Å
238	V	93.1	Very high	91.7	Very high	25 Å²	25	55 Å²	55	15%	0.152	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137.9	173.4	-174	0	0	0	0	108.4	Q230 E233 F240 R254	Q230-V238 HydrophobicContact CB-CG1 4.47Å; Q230-V238 HydrophobicContact CG-CG1 3.61Å; E233-V238 HydrophobicContact CG-CG2 4.04Å; V238-F240 HydrophobicContact CB-CD2 4.48Å; V238-F240 HydrophobicContact CB-CE2 3.64Å; V238-F240 HydrophobicContact CB-CZ 3.96Å; V238-F240 HydrophobicContact CG1-CD2 4.19Å; V238-F240 HydrophobicContact CG1-CE1 4.12Å; V238-F240 HydrophobicContact CG1-CE2 3.49Å; V238-F240 VanDerWaalsContact CG1-CE2 3.49Å; V238-F240 HydrophobicContact CG1-CZ 3.43Å; V238-F240 VanDerWaalsContact CG1-CZ 3.43Å; V238-R254 PolarHBondContact N-O 3.08Å; V238-R254 PolarHBondContact O-N 3.42Å
239	V	95.4	Very high	91.7	Very high	39 Å²	39	51.8 Å²	51.8	24%	0.236	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.6	179.9	-168.2	0	0	0	0	109.3	I231 G232 A251 I252 K253	I231-V239 HydrophobicContact CD1-CG1 3.89Å; I231-V239 HydrophobicContact CG1-CB 4.1Å; I231-V239 HydrophobicContact CG1-CG1 3.84Å; I231-V239 VanDerWaalsContact CG1-O 3.29Å; I231-V239 WeakPolarHBondContact CG1-O 3.46Å; I231-V239 PolarHBondContact N-O 3.13Å; G232-V239 PolarHBondContact N-O 3.09Å; G232-V239 PolarHBondContact O-N 3.19Å; V239-A251 HydrophobicContact CG1-CB 4.22Å; V239-I252 WeakPolarHBondContact CA-O 3.2Å; V239-K253 HydrophobicContact CG2-CB 4.19Å; V239-K253 HydrophobicContact CG2-CG 4.17Å
240	F	97.6	Very high	91.8	Very high	13 Å²	13	49 Å²	49	6%	0.057	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	146.7	179.6	-60.7	-92.5	0	0	0	111.3	T222 F225 H229 Q230 V238 A251 I252 R254	T222-F240 HydrophobicContact CG2-CB 4.08Å; F225-F240 HydrophobicContact CB-CD1 4.24Å; F225-F240 HydrophobicContact CB-CE1 3.86Å; F225-F240 HydrophobicContact CB-CE2 4.18Å; F225-F240 HydrophobicContact CB-CZ 3.82Å; F225-F240 HydrophobicContact CD1-CD1 4.46Å; F225-F240 AromaticContact CD1-CD2 3.62Å; F225-F240 HydrophobicContact CD1-CD2 3.62Å; F225-F240 AromaticContact CD1-CE2 3.78Å; F225-F240 HydrophobicContact CD1-CE2 3.78Å; F225-F240 AromaticContact CD1-CG 3.98Å; F225-F240 HydrophobicContact CD1-CG 3.98Å; F225-F240 HydrophobicContact CD1-CZ 4.3Å; F225-F240 HydrophobicContact CE1-CD2 4.36Å; F225-F240 HydrophobicContact CG-CE2 4.39Å; F225-F240 VanDerWaalsContact O-CE1 3.27Å; F225-F240 WeakPolarHBondContact O-CE1 3.49Å; H229-F240 HydrophobicContact CB-CD1 4.38Å; H229-F240 CarbonylContact O-C 3.5Å; H229-F240 VanDerWaalsContact O-CA 3.29Å; H229-F240 WeakPolarHBondContact O-CA 3.05Å; Q230-F240 HydrophobicContact CB-CD1 4.26Å; Q230-F240 HydrophobicContact CB-CE1 4.14Å; V238-F240 HydrophobicContact CB-CD2 4.48Å; V238-F240 HydrophobicContact CB-CE2 3.64Å; V238-F240 HydrophobicContact CB-CZ 3.96Å; V238-F240 HydrophobicContact CG1-CD2 4.19Å; V238-F240 HydrophobicContact CG1-CE1 4.12Å; V238-F240 HydrophobicContact CG1-CE2 3.49Å; V238-F240 VanDerWaalsContact CG1-CE2 3.49Å; V238-F240 HydrophobicContact CG1-CZ 3.43Å; V238-F240 VanDerWaalsContact CG1-CZ 3.43Å; F240-A251 CarbonylContact O-C 3.59Å; F240-A251 WeakPolarHBondContact O-CA 3.5Å; F240-I252 PolarHBondContact N-O 3.12Å; F240-I252 PolarHBondContact O-N 2.94Å; F240-R254 HydrophobicContact CE2-CB 4.3Å
241	K	97.6	Very high	91.9	Very high	78 Å²	78	45.9 Å²	45.9	34%	0.339	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	119.3	166.1	-177.7	-175.9	175.6	-169.5	0	109	H229 I231 V249 Y301	H229-K241 PolarHBondContact ND1-O 3.11Å; H229-K241 PolarHBondContact O-N 2.88Å; I231-K241 HydrophobicContact CG2-CB 3.85Å; K241-V249 HydrophobicContact CD-CG1 4.37Å; K241-V249 HydrophobicContact CG-CG1 3.89Å; K241-Y301 HydrophobicContact CB-CE2 4.41Å; K241-Y301 HydrophobicContact CD-CE1 4.42Å; K241-Y301 HydrophobicContact CD-CE2 4.3Å; K241-Y301 HydrophobicContact CG-CD2 4.31Å; K241-Y301 HydrophobicContact CG-CE2 4.13Å
242	G	97.3	Very high	92	Very high	0 Å²	0	42 Å²	42	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	146.3	170.9	0	0	0	0	0	111.6	A221 V249 V250	A221-G242 VanDerWaalsContact O-CA 3.29Å; A221-G242 WeakPolarHBondContact O-CA 3.48Å; G242-V249 WeakPolarHBondContact O-CA 3.36Å; G242-V249 WeakPolarHBondContact O-CG1 3.45Å; G242-V250 PolarHBondContact N-O 3.03Å; G242-V250 PolarHBondContact O-N 2.82Å
243	V	97.2	Very high	92.2	Very high	66 Å²	66	42 Å²	42	40%	0.4	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	115.5	163.3	-175.4	0	0	0	0	107.9	A221 V249	A221-V243 VanDerWaalsContact CA-O 3.22Å; A221-V243 WeakPolarHBondContact CA-O 3.34Å; A221-V243 WeakPolarHBondContact CB-O 3.38Å; A221-V243 PolarHBondContact O-N 3.41Å; V243-V249 HydrophobicContact CG2-CG2 4.46Å
244	L	95.4	Very high	92.3	Very high	14 Å²	14	39.4 Å²	39.4	7%	0.073	24%	0.239	C	C	.	.			trans	-78.2	164.9	-179.1	-53.8	-175.6	0	0	0	111.5	L211 L213 A221 D246 G247 Q248 V250	L211-L244 HydrophobicContact CD1-CD1 4.34Å; L211-L244 HydrophobicContact CD2-CD1 3.6Å; L213-L244 HydrophobicContact CD1-CD2 3.6Å; L213-L244 HydrophobicContact CD2-CD1 4.49Å; L213-L244 HydrophobicContact CD2-CD2 4.25Å; A221-L244 HydrophobicContact CB-CD2 4.06Å; L244-D246 PolarHBondContact O-N 3.01Å; L244-D246 VanDerWaalsContact O-N 3.13Å; L244-G247 WeakPolarHBondContact O-CA 3.03Å; L244-G247 PolarHBondContact O-N 2.85Å; L244-Q248 HydrophobicContact CB-CB 4.42Å; L244-Q248 HydrophobicContact CD1-CB 4.17Å; L244-Q248 HydrophobicContact CG-CB 4.46Å; L244-Q248 WeakPolarHBondContact CG-O 3.01Å; L244-Q248 PolarHBondContact N-O 2.73Å; L244-V250 HydrophobicContact CD1-CG1 3.89Å; L244-V250 HydrophobicContact CD2-CG2 3.96Å; L244-V250 HydrophobicContact CG-CG1 4.13Å; L244-V250 HydrophobicContact CG-CG2 4.21Å
245	D	92.5	Very high	92.8	Very high	120 Å²	120	38 Å²	38	64%	0.642	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-27.2	-178.7	-49.9	-40.8	0	0	0	113.3	G247	D245-G247 VanDerWaalsContact C-N 3.29Å
246	D	92.3	Very high	93.1	Very high	86 Å²	86	38 Å²	38	46%	0.46	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	9.5	175.2	65.6	8.3	0	0	0	114	R207 L244 Q248	R207-D246 IonicContact CZ-OD2 2.67Å; R207-D246 IonicContact NH2-OD2 2.65Å; R207-D246 PolarHBondContact NH2-OD2 2.79Å; L244-D246 PolarHBondContact O-N 3.01Å; L244-D246 VanDerWaalsContact O-N 3.13Å; D246-Q248 VanDerWaalsContact C-N 3.26Å; D246-Q248 PolarHBondContact O-N 3.34Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.34Å; D246-Q248 PolarHBondContact OD1-N 2.94Å; D246-Q248 VanDerWaalsContact OD1-N 3.12Å
247	G	94.9	Very high	93.2	Very high	48 Å²	48	41.7 Å²	41.7	50%	0.495	22%	0.223	S	C	.	.	S	Bend	trans	78.7	-0.7	-178.4	0	0	0	0	0	114.6	L244 D245 V249	L244-G247 WeakPolarHBondContact O-CA 3.03Å; L244-G247 PolarHBondContact O-N 2.85Å; D245-G247 VanDerWaalsContact C-N 3.29Å; G247-V249 PolarHBondContact O-N 2.79Å
248	Q	95.4	Very high	92.3	Very high	80 Å²	80	49.7 Å²	49.7	37%	0.374	26%	0.259	S	S	.	.			trans	-65.2	126.7	176	-176.1	174.9	45.2	0	0	110.8	L244 D246 V250	L244-Q248 HydrophobicContact CB-CB 4.42Å; L244-Q248 HydrophobicContact CD1-CB 4.17Å; L244-Q248 HydrophobicContact CG-CB 4.46Å; L244-Q248 WeakPolarHBondContact CG-O 3.01Å; L244-Q248 PolarHBondContact N-O 2.73Å; D246-Q248 VanDerWaalsContact C-N 3.26Å; D246-Q248 PolarHBondContact O-N 3.34Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.34Å; D246-Q248 PolarHBondContact OD1-N 2.94Å; D246-Q248 VanDerWaalsContact OD1-N 3.12Å; Q248-V250 HydrophobicContact CG-CG1 4.08Å
249	V	97.1	Very high	91.2	Very high	39 Å²	39	52.3 Å²	52.3	24%	0.236	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	128.5	174.6	-167.6	0	0	0	0	109.6	K241 G242 V243 G247 Y301	K241-V249 HydrophobicContact CD-CG1 4.37Å; K241-V249 HydrophobicContact CG-CG1 3.89Å; G242-V249 WeakPolarHBondContact O-CA 3.36Å; G242-V249 WeakPolarHBondContact O-CG1 3.45Å; V243-V249 HydrophobicContact CG2-CG2 4.46Å; G247-V249 PolarHBondContact O-N 2.79Å; V249-Y301 HydrophobicContact CB-CD1 4.25Å; V249-Y301 HydrophobicContact CB-CG 4.5Å; V249-Y301 HydrophobicContact CG1-CD1 3.49Å; V249-Y301 VanDerWaalsContact CG1-CD1 3.49Å; V249-Y301 HydrophobicContact CG1-CE1 4.2Å; V249-Y301 HydrophobicContact CG1-CG 3.66Å; V249-Y301 WeakPolarHBondContact O-CB 3.44Å
250	V	97.4	Very high	90	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	158.6	-176.3	-61.4	0	0	0	0	111.6	G242 L244 Q248 I252 L286 I298 T299	G242-V250 PolarHBondContact N-O 3.03Å; G242-V250 PolarHBondContact O-N 2.82Å; L244-V250 HydrophobicContact CD1-CG1 3.89Å; L244-V250 HydrophobicContact CD2-CG2 3.96Å; L244-V250 HydrophobicContact CG-CG1 4.13Å; L244-V250 HydrophobicContact CG-CG2 4.21Å; Q248-V250 HydrophobicContact CG-CG1 4.08Å; V250-I252 HydrophobicContact CG2-CD1 3.97Å; V250-I252 HydrophobicContact CG2-CG1 3.88Å; V250-L286 HydrophobicContact CB-CD1 4.43Å; V250-L286 HydrophobicContact CG1-CD1 3.59Å; V250-I298 HydrophobicContact CB-CG2 4Å; V250-I298 HydrophobicContact CG1-CG2 4.28Å; V250-I298 HydrophobicContact CG2-CG2 4.17Å; V250-T299 WeakPolarHBondContact CA-O 3.48Å
251	A	97.4	Very high	88.7	Confident	9 Å²	9	57.1 Å²	57.1	7%	0.074	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.8	168.1	0	0	0	0	0	109.2	I231 V239 F240 I298 T299 Y301	I231-A251 HydrophobicContact CD1-CB 4.22Å; V239-A251 HydrophobicContact CG1-CB 4.22Å; F240-A251 CarbonylContact O-C 3.59Å; F240-A251 WeakPolarHBondContact O-CA 3.5Å; A251-I298 WeakPolarHBondContact O-CA 3.43Å; A251-T299 PolarHBondContact N-O 3.3Å; A251-T299 PolarHBondContact O-N 2.95Å; A251-T299 PolarHBondContact O-OG1 2.9Å; A251-Y301 HydrophobicContact CB-CD2 4.41Å
252	I	96.4	Very high	87.4	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	104.9	-175.8	-53.3	-172.9	0	0	0	108.7	I218 T222 F225 V239 F240 V250 L296 I297 I298	I218-I252 HydrophobicContact CG1-CD1 4.43Å; I218-I252 HydrophobicContact CG2-CD1 3.93Å; I218-I252 HydrophobicContact CG2-CG2 4.36Å; T222-I252 HydrophobicContact CG2-CD1 3.9Å; F225-I252 HydrophobicContact CE1-CG2 4.47Å; V239-I252 WeakPolarHBondContact CA-O 3.2Å; F240-I252 PolarHBondContact N-O 3.12Å; F240-I252 PolarHBondContact O-N 2.94Å; V250-I252 HydrophobicContact CG2-CD1 3.97Å; V250-I252 HydrophobicContact CG2-CG1 3.88Å; I252-L296 HydrophobicContact CG2-CB 4.28Å; I252-I297 CarbonylContact C-O 3.4Å; I252-I297 WeakPolarHBondContact CA-O 3.48Å; I252-I298 HydrophobicContact CG1-CG1 4.37Å; I252-I298 HydrophobicContact CG1-CG2 4.32Å; I252-I298 HydrophobicContact CG2-CG1 4.47Å
253	K	94.2	Very high	86.3	Confident	28 Å²	28	60 Å²	60	12%	0.122	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	110.8	175.2	-178	-175.8	-172.8	-174.4	0	108.6	V239 E270 L296 I297 D368	V239-K253 HydrophobicContact CG2-CB 4.19Å; V239-K253 HydrophobicContact CG2-CG 4.17Å; K253-E270 IonicContact NZ-OE1 2.67Å; K253-E270 PolarHBondContact NZ-OE1 2.86Å; K253-E270 IonicContact NZ-OE2 2.82Å; K253-E270 PolarHBondContact NZ-OE2 3.43Å; K253-L296 CarbonylContact O-C 3.56Å; K253-L296 WeakPolarHBondContact O-CA 3.48Å; K253-I297 HydrophobicContact CB-CB 4.33Å; K253-I297 HydrophobicContact CD-CD1 4.49Å; K253-I297 PolarHBondContact N-O 3.45Å; K253-I297 PolarHBondContact O-N 2.9Å; K253-D368 IonicContact NZ-OD1 2.58Å; K253-D368 PolarHBondContact NZ-OD1 2.83Å
254	R	92.9	Very high	85.4	Confident	62 Å²	62	63 Å²	63	23%	0.234	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121	177.3	180	165.8	-168.3	-150.2	5.4	110.2	F225 G237 V238 F240 E294 L296	F225-R254 VanDerWaalsContact CD2-NH1 3.29Å; F225-R254 HydrophobicContact CE1-CB 4.44Å; G237-R254 CarbonylContact C-O 3.47Å; G237-R254 WeakPolarHBondContact CA-O 3.36Å; V238-R254 PolarHBondContact N-O 3.08Å; V238-R254 PolarHBondContact O-N 3.42Å; F240-R254 HydrophobicContact CE2-CB 4.3Å; R254-E294 IonicContact CZ-OE1 3.71Å; R254-E294 IonicContact CZ-OE2 3.42Å; R254-E294 IonicContact NE-OE1 3.79Å; R254-E294 IonicContact NE-OE2 3.97Å; R254-E294 PolarHBondContact NE-OE2 2.9Å; R254-E294 VanDerWaalsContact NH2-CD 3.33Å; R254-E294 IonicContact NH2-OE1 2.72Å; R254-E294 PolarHBondContact NH2-OE1 3.48Å; R254-E294 IonicContact NH2-OE2 3.18Å; R254-E294 PolarHBondContact NH2-OE2 2.93Å; R254-L296 HydrophobicContact CB-CD2 3.49Å; R254-L296 VanDerWaalsContact CB-CD2 3.49Å; R254-L296 HydrophobicContact CG-CD2 3.43Å; R254-L296 VanDerWaalsContact CG-CD2 3.43Å
255	A	88.1	Confident	84.6	Confident	10 Å²	10	66.6 Å²	66.6	8%	0.083	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	148.1	-179	0	0	0	0	0	112.4	F236 K257 F260 L263 R295	F236-A255 VanDerWaalsContact O-CA 3.25Å; F236-A255 WeakPolarHBondContact O-CA 3.27Å; A255-K257 PolarHBondContact O-N 3.48Å; A255-F260 HydrophobicContact CB-CD1 4.44Å; A255-F260 HydrophobicContact CB-CE1 4.1Å; A255-L263 HydrophobicContact CB-CD1 4.2Å; A255-R295 HydrophobicContact CB-CB 3.96Å; A255-R295 PolarHBondContact N-O 3.43Å
256	K	81.1	Confident	83.9	Confident	61 Å²	61	61.7 Å²	61.7	27%	0.265	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-70.7	124.9	179.5	-62.7	-164.2	174.5	-164.8	0	110.8	E233 E258 H259 L263	E233-K256 VanDerWaalsContact OE1-CE 3.32Å; E233-K256 WeakPolarHBondContact OE1-CE 3.39Å; E233-K256 IonicContact OE1-NZ 2.85Å; E233-K256 PolarHBondContact OE1-NZ 3.01Å; K256-E258 VanDerWaalsContact C-N 3.31Å; K256-E258 PolarHBondContact O-N 3.05Å; K256-H259 PolarHBondContact O-N 3.29Å; K256-H259 VanDerWaalsContact O-N 3.16Å; K256-L263 HydrophobicContact CB-CD1 4.4Å
257	K	75.7	Confident	83.6	Confident	95 Å²	95	58.2 Å²	58.2	41%	0.413	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-59.5	-40.9	-175.8	-55.9	-145	174.1	-150.9	0	113	A255 H259 F260 D293 E294	A255-K257 PolarHBondContact O-N 3.48Å; K257-H259 PolarHBondContact O-N 2.87Å; K257-F260 HydrophobicContact CB-CD2 4.21Å; K257-F260 HydrophobicContact CB-CE2 3.74Å; K257-F260 HydrophobicContact CB-CZ 3.95Å; K257-F260 HydrophobicContact CD-CE2 3.92Å; K257-F260 HydrophobicContact CD-CZ 4.08Å; K257-F260 HydrophobicContact CG-CE1 4.41Å; K257-F260 HydrophobicContact CG-CE2 3.73Å; K257-F260 HydrophobicContact CG-CZ 3.59Å; K257-F260 WeakPolarHBondContact O-CD2 3Å; K257-F260 WeakPolarHBondContact O-CG 3.5Å; K257-F260 PolarHBondContact O-N 2.77Å; K257-F260 VanDerWaalsContact O-N 3.15Å; K257-D293 WeakPolarHBondContact CE-O 3.21Å; K257-D293 PolarHBondContact NZ-O 3.33Å; K257-E294 VanDerWaalsContact CE-OE1 3.28Å; K257-E294 WeakPolarHBondContact CE-OE1 3.3Å; K257-E294 IonicContact NZ-OE1 2.67Å; K257-E294 PolarHBondContact NZ-OE1 3.44Å
258	E	70	Confident	83.2	Confident	170 Å²	170	61.9 Å²	61.9	79%	0.794	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-58.1	-13.9	178.8	-65.1	162.4	-136.7	0	0	114.6	K256	K256-E258 VanDerWaalsContact C-N 3.31Å; K256-E258 PolarHBondContact O-N 3.05Å
259	H	68.9	Low	82.6	Confident	80 Å²	80	59 Å²	59	37%	0.37	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-124.5	15.4	-177.1	-58.8	-20.8	0	0	0	112.6	K256 K257 E261 N262 L263	K256-H259 PolarHBondContact O-N 3.29Å; K256-H259 VanDerWaalsContact O-N 3.16Å; K257-H259 PolarHBondContact O-N 2.87Å; H259-E261 PolarHBondContact O-N 2.92Å; H259-N262 PolarHBondContact O-N 3.04Å; H259-L263 HydrophobicContact CB-CD1 3.7Å; H259-L263 HydrophobicContact CB-CG 3.72Å; H259-L263 WeakPolarHBondContact O-CB 3.44Å; H259-L263 WeakPolarHBondContact O-CG 3.25Å; H259-L263 PolarHBondContact O-N 2.83Å
260	F	70	Confident	82.2	Confident	22 Å²	22	57.6 Å²	57.6	10%	0.096	27%	0.272	C	S	.	.	H	α-helix	trans	-54.7	-40.6	-169.9	-82.2	-26.5	0	0	0	115.4	A255 K257 L263 R264 D293 R295	A255-F260 HydrophobicContact CB-CD1 4.44Å; A255-F260 HydrophobicContact CB-CE1 4.1Å; K257-F260 HydrophobicContact CB-CD2 4.21Å; K257-F260 HydrophobicContact CB-CE2 3.74Å; K257-F260 HydrophobicContact CB-CZ 3.95Å; K257-F260 HydrophobicContact CD-CE2 3.92Å; K257-F260 HydrophobicContact CD-CZ 4.08Å; K257-F260 HydrophobicContact CG-CE1 4.41Å; K257-F260 HydrophobicContact CG-CE2 3.73Å; K257-F260 HydrophobicContact CG-CZ 3.59Å; K257-F260 WeakPolarHBondContact O-CD2 3Å; K257-F260 WeakPolarHBondContact O-CG 3.5Å; K257-F260 PolarHBondContact O-N 2.77Å; K257-F260 VanDerWaalsContact O-N 3.15Å; F260-L263 PolarHBondContact O-N 2.82Å; F260-R264 WeakPolarHBondContact O-CA 3.26Å; F260-R264 WeakPolarHBondContact O-CB 3.5Å; F260-R264 PolarHBondContact O-N 3.08Å; F260-D293 HydrophobicContact CE2-CB 3.97Å; F260-D293 VanDerWaalsContact CE2-O 3.23Å; F260-D293 WeakPolarHBondContact CE2-O 3.4Å; F260-D293 WeakPolarHBondContact CZ-O 3.08Å; F260-R295 HydrophobicContact CD1-CG 4.29Å; F260-R295 HydrophobicContact CE1-CB 4.25Å; F260-R295 HydrophobicContact CE1-CG 4.09Å
261	E	70.3	Confident	81.9	Confident	132 Å²	132	58 Å²	58	62%	0.617	27%	0.274	S	S	*	.	H	α-helix	trans	-66.2	-40.9	177.6	-68.6	-51.7	120.8	0	0	112.4	H259	H259-E261 PolarHBondContact O-N 2.92Å
262	N	70.9	Confident	81.5	Confident	127 Å²	127	61 Å²	61	68%	0.679	29%	0.289	S	S	*	.	H	α-helix	trans	-67.7	-42.8	176.5	-65	-26	0	0	0	111.6	H259	H259-N262 PolarHBondContact O-N 3.04Å
263	L	73.8	Confident	81.2	Confident	11 Å²	11	61.9 Å²	61.9	6%	0.058	29%	0.294	C	S	.	.	H	α-helix	trans	-80	-18.8	-177.5	-63.9	-178.5	0	0	0	113.3	F236 A255 K256 H259 F260 T265 E266 F267	F236-L263 HydrophobicContact CD1-CD2 4.06Å; F236-L263 WeakPolarHBondContact O-CD1 3.43Å; A255-L263 HydrophobicContact CB-CD1 4.2Å; K256-L263 HydrophobicContact CB-CD1 4.4Å; H259-L263 HydrophobicContact CB-CD1 3.7Å; H259-L263 HydrophobicContact CB-CG 3.72Å; H259-L263 WeakPolarHBondContact O-CB 3.44Å; H259-L263 WeakPolarHBondContact O-CG 3.25Å; H259-L263 PolarHBondContact O-N 2.83Å; F260-L263 PolarHBondContact O-N 2.82Å; L263-T265 VanDerWaalsContact C-N 3.31Å; L263-T265 PolarHBondContact O-N 3.01Å; L263-E266 VanDerWaalsContact CD2-OE2 3.3Å; L263-E266 WeakPolarHBondContact CD2-OE2 3.24Å; L263-E266 PolarHBondContact O-N 3.06Å; L263-F267 WeakPolarHBondContact O-CB 3.2Å; L263-F267 PolarHBondContact O-N 3.27Å
264	R	77.7	Confident	81.1	Confident	128 Å²	128	60.9 Å²	60.9	48%	0.483	29%	0.29	S	S	.	.	H	α-helix	trans	-56.3	-44.4	-177.4	178.3	173.1	-167.8	-178.8	1	112.4	F260 E266 K268	F260-R264 WeakPolarHBondContact O-CA 3.26Å; F260-R264 WeakPolarHBondContact O-CB 3.5Å; F260-R264 PolarHBondContact O-N 3.08Å; R264-E266 VanDerWaalsContact C-N 3.33Å; R264-K268 WeakPolarHBondContact O-CB 3.15Å; R264-K268 PolarHBondContact O-N 3.36Å
265	T	78.6	Confident	81	Confident	91 Å²	91	61.5 Å²	61.5	56%	0.558	30%	0.304	S	S	*	.	H	α-helix	trans	-68.9	-33.6	178.2	-57.1	0	0	0	0	111.8	L263 S269	L263-T265 VanDerWaalsContact C-N 3.31Å; L263-T265 PolarHBondContact O-N 3.01Å; T265-S269 WeakPolarHBondContact O-CB 3.47Å; T265-S269 PolarHBondContact O-N 3.24Å
266	E	79.5	Confident	81	Confident	17 Å²	17	66.7 Å²	66.7	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-75.5	-46.1	179.2	-61.9	-175.9	145.6	0	0	110.9	F236 L263 R264 K268 S269 E270 K389	F236-E266 HydrophobicContact CD1-CB 4.44Å; F236-E266 HydrophobicContact CE1-CB 4.18Å; F236-E266 HydrophobicContact CE1-CG 4.5Å; F236-E266 WeakPolarHBondContact CE1-OE2 3.37Å; L263-E266 VanDerWaalsContact CD2-OE2 3.3Å; L263-E266 WeakPolarHBondContact CD2-OE2 3.24Å; L263-E266 PolarHBondContact O-N 3.06Å; R264-E266 VanDerWaalsContact C-N 3.33Å; E266-K268 PolarHBondContact O-N 3.37Å; E266-S269 CarbonylContact O-C 3.59Å; E266-S269 PolarHBondContact O-N 3.17Å; E266-E270 WeakPolarHBondContact O-CB 3.49Å; E266-E270 PolarHBondContact O-N 2.89Å; E266-K389 IonicContact OE1-NZ 3.88Å; E266-K389 PolarHBondContact OE1-NZ 3.09Å
267	F	86.1	Confident	81.5	Confident	13 Å²	13	64.7 Å²	64.7	6%	0.057	32%	0.316	C	S	.	.	H	α-helix	trans	-56.1	-50.7	172.9	176.6	-89.6	0	0	0	111.9	L263 S269 E270 V271 V289 D290 R295 I297	L263-F267 WeakPolarHBondContact O-CB 3.2Å; L263-F267 PolarHBondContact O-N 3.27Å; F267-S269 PolarHBondContact O-N 3.46Å; F267-E270 PolarHBondContact O-N 3.44Å; F267-V271 HydrophobicContact CD1-CG2 4.46Å; F267-V271 HydrophobicContact CE1-CG2 4.02Å; F267-V271 HydrophobicContact CE2-CG2 4.39Å; F267-V271 HydrophobicContact CZ-CG2 3.99Å; F267-V271 WeakPolarHBondContact O-CG2 3.27Å; F267-V271 PolarHBondContact O-N 2.95Å; F267-V289 WeakPolarHBondContact CZ-O 3.2Å; F267-D290 HydrophobicContact CE1-CB 3.94Å; F267-R295 HydrophobicContact CD1-CB 4.41Å; F267-R295 HydrophobicContact CD2-CB 3.82Å; F267-R295 HydrophobicContact CE1-CB 4.42Å; F267-R295 VanDerWaalsContact CE2-C 3.45Å; F267-R295 HydrophobicContact CE2-CB 3.79Å; F267-R295 HydrophobicContact CG-CB 4.13Å; F267-R295 HydrophobicContact CZ-CB 4.12Å; F267-I297 HydrophobicContact CD2-CD1 4.01Å; F267-I297 HydrophobicContact CD2-CG1 3.79Å; F267-I297 HydrophobicContact CE2-CD1 4.1Å; F267-I297 HydrophobicContact CE2-CG1 3.38Å; F267-I297 HydrophobicContact CZ-CG1 4.22Å
268	K	85.3	Confident	82.3	Confident	124 Å²	124	63.2 Å²	63.2	54%	0.539	33%	0.328	S	S	.	.	H	α-helix	trans	-62.8	-44.5	178	-177	175	178.3	-179.4	0	111.1	R264 E266 E270 V271 D272	R264-K268 WeakPolarHBondContact O-CB 3.15Å; R264-K268 PolarHBondContact O-N 3.36Å; E266-K268 PolarHBondContact O-N 3.37Å; K268-E270 VanDerWaalsContact C-N 3.3Å; K268-E270 PolarHBondContact O-N 3Å; K268-V271 PolarHBondContact O-N 3.42Å; K268-D272 VanDerWaalsContact CE-OD2 3.31Å; K268-D272 WeakPolarHBondContact CE-OD2 3.2Å; K268-D272 WeakPolarHBondContact CG-OD2 3.35Å; K268-D272 VanDerWaalsContact O-CB 3.25Å; K268-D272 WeakPolarHBondContact O-CB 3.23Å; K268-D272 PolarHBondContact O-N 2.89Å
269	S	83	Confident	83.6	Confident	21 Å²	21	57.3 Å²	57.3	15%	0.147	30%	0.3	C	S	.	.	H	α-helix	trans	-60.6	-38.2	175.3	-173.2	0	0	0	0	112.3	T265 E266 F267 L273 R373	T265-S269 WeakPolarHBondContact O-CB 3.47Å; T265-S269 PolarHBondContact O-N 3.24Å; E266-S269 CarbonylContact O-C 3.59Å; E266-S269 PolarHBondContact O-N 3.17Å; F267-S269 PolarHBondContact O-N 3.46Å; S269-L273 WeakPolarHBondContact O-CB 3.43Å; S269-L273 WeakPolarHBondContact O-CD1 3.29Å; S269-L273 WeakPolarHBondContact O-CG 3.27Å; S269-L273 PolarHBondContact O-N 3.05Å; S269-L273 VanDerWaalsContact O-N 3.07Å; S269-R373 PolarHBondContact OG-NH1 3.33Å
270	E	88.7	Confident	85	Confident	9 Å²	9	62.7 Å²	62.7	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-67	-47.3	178.1	-171.5	168.5	-167.9	0	0	110.4	K253 E266 F267 K268 L273 L274 I297 F369 G370	K253-E270 IonicContact NZ-OE1 2.67Å; K253-E270 PolarHBondContact NZ-OE1 2.86Å; K253-E270 IonicContact NZ-OE2 2.82Å; K253-E270 PolarHBondContact NZ-OE2 3.43Å; E266-E270 WeakPolarHBondContact O-CB 3.49Å; E266-E270 PolarHBondContact O-N 2.89Å; F267-E270 PolarHBondContact O-N 3.44Å; K268-E270 VanDerWaalsContact C-N 3.3Å; K268-E270 PolarHBondContact O-N 3Å; E270-L273 PolarHBondContact O-N 3.21Å; E270-L274 HydrophobicContact CG-CD1 3.74Å; E270-L274 HydrophobicContact CG-CG 4.17Å; E270-L274 WeakPolarHBondContact O-CB 3.48Å; E270-L274 WeakPolarHBondContact O-CG 3.47Å; E270-L274 PolarHBondContact O-N 3.43Å; E270-I297 HydrophobicContact CB-CD1 3.93Å; E270-I297 VanDerWaalsContact CD-CD1 3.42Å; E270-I297 HydrophobicContact CG-CD1 3.61Å; E270-I297 WeakPolarHBondContact OE2-CD1 3.21Å; E270-F369 HydrophobicContact CG-CB 3.91Å; E270-F369 PolarHBondContact OE1-N 3.12Å; E270-G370 PolarHBondContact OE1-N 3.49Å; E270-G370 WeakPolarHBondContact OE2-CA 3.31Å
271	V	91	Very high	86.3	Confident	7 Å²	7	61.8 Å²	61.8	4%	0.042	31%	0.314	C	S	.	.	H	α-helix	trans	-64.3	-44.6	175.8	173.9	0	0	0	0	112.2	F267 K268 L273 L274 S275 Y288 I297	F267-V271 HydrophobicContact CD1-CG2 4.46Å; F267-V271 HydrophobicContact CE1-CG2 4.02Å; F267-V271 HydrophobicContact CE2-CG2 4.39Å; F267-V271 HydrophobicContact CZ-CG2 3.99Å; F267-V271 WeakPolarHBondContact O-CG2 3.27Å; F267-V271 PolarHBondContact O-N 2.95Å; K268-V271 PolarHBondContact O-N 3.42Å; V271-L273 VanDerWaalsContact C-N 3.27Å; V271-L273 PolarHBondContact O-N 3.38Å; V271-L274 PolarHBondContact O-N 3.49Å; V271-S275 VanDerWaalsContact O-CB 3.27Å; V271-S275 WeakPolarHBondContact O-CB 3.49Å; V271-S275 PolarHBondContact O-N 3.34Å; V271-S275 PolarHBondContact O-OG 3.05Å; V271-Y288 HydrophobicContact CG1-CD1 3.52Å; V271-Y288 HydrophobicContact CG1-CD2 4.14Å; V271-Y288 HydrophobicContact CG1-CE1 3.73Å; V271-Y288 HydrophobicContact CG1-CE2 4.32Å; V271-Y288 HydrophobicContact CG1-CG 3.75Å; V271-Y288 HydrophobicContact CG2-CD2 4.48Å; V271-Y288 HydrophobicContact CG2-CG 4.12Å; V271-I297 HydrophobicContact CG2-CD1 4.12Å; V271-I297 HydrophobicContact CG2-CG1 4.12Å
272	D	89.8	Confident	87.6	Confident	73 Å²	73	55.7 Å²	55.7	39%	0.39	29%	0.285	S	S	.	.	H	α-helix	trans	-65.3	-27.5	179.5	-74.3	-13	0	0	0	112.6	K268 S275 K276	K268-D272 VanDerWaalsContact CE-OD2 3.31Å; K268-D272 WeakPolarHBondContact CE-OD2 3.2Å; K268-D272 WeakPolarHBondContact CG-OD2 3.35Å; K268-D272 VanDerWaalsContact O-CB 3.25Å; K268-D272 WeakPolarHBondContact O-CB 3.23Å; K268-D272 PolarHBondContact O-N 2.89Å; D272-S275 PolarHBondContact O-OG 2.95Å; D272-K276 WeakPolarHBondContact O-CD 3.47Å; D272-K276 VanDerWaalsContact O-CE 3.26Å; D272-K276 WeakPolarHBondContact O-CE 3.43Å; D272-K276 WeakPolarHBondContact O-CG 3.44Å
273	L	90.3	Very high	88.8	Confident	19 Å²	19	50 Å²	50	10%	0.099	26%	0.255	C	S	.	.	H	α-helix	trans	-85.9	-47.6	174	-70.1	171.2	0	0	0	111.7	S269 E270 V271 S275 K276 I346 A372	S269-L273 WeakPolarHBondContact O-CB 3.43Å; S269-L273 WeakPolarHBondContact O-CD1 3.29Å; S269-L273 WeakPolarHBondContact O-CG 3.27Å; S269-L273 PolarHBondContact O-N 3.05Å; S269-L273 VanDerWaalsContact O-N 3.07Å; E270-L273 PolarHBondContact O-N 3.21Å; V271-L273 VanDerWaalsContact C-N 3.27Å; V271-L273 PolarHBondContact O-N 3.38Å; L273-S275 PolarHBondContact O-N 3.37Å; L273-K276 PolarHBondContact O-N 2.97Å; L273-I346 HydrophobicContact CD1-CG2 4.42Å; L273-I346 HydrophobicContact CD2-CD1 3.94Å; L273-I346 HydrophobicContact CD2-CG1 3.95Å; L273-I346 HydrophobicContact CD2-CG2 4.28Å; L273-A372 HydrophobicContact CD1-CB 3.71Å
274	L	91.7	Very high	89.9	Confident	7 Å²	7	54 Å²	54	4%	0.037	27%	0.272	C	S	.	.	H	α-helix	trans	-61.7	-30.7	-179.1	-80	-177.7	0	0	0	113	E270 V271 K276 I277 L285 I297 F369	E270-L274 HydrophobicContact CG-CD1 3.74Å; E270-L274 HydrophobicContact CG-CG 4.17Å; E270-L274 WeakPolarHBondContact O-CB 3.48Å; E270-L274 WeakPolarHBondContact O-CG 3.47Å; E270-L274 PolarHBondContact O-N 3.43Å; V271-L274 PolarHBondContact O-N 3.49Å; L274-K276 VanDerWaalsContact C-N 3.27Å; L274-K276 PolarHBondContact O-N 2.95Å; L274-I277 HydrophobicContact CD2-CD1 3.84Å; L274-L285 HydrophobicContact CB-CB 4.04Å; L274-L285 HydrophobicContact CB-CD1 4.36Å; L274-L285 HydrophobicContact CB-CD2 3.99Å; L274-L285 HydrophobicContact CB-CG 4.36Å; L274-L285 HydrophobicContact CD1-CD1 4.14Å; L274-I297 HydrophobicContact CD1-CG2 3.93Å; L274-F369 HydrophobicContact CD2-CB 4.16Å; L274-F369 HydrophobicContact CD2-CD2 3.42Å; L274-F369 VanDerWaalsContact CD2-CD2 3.42Å; L274-F369 HydrophobicContact CD2-CE2 3.83Å; L274-F369 HydrophobicContact CD2-CG 3.81Å; L274-F369 HydrophobicContact CG-CB 4.26Å; L274-F369 HydrophobicContact CG-CD2 4.38Å; L274-F369 HydrophobicContact CG-CG 4.41Å
275	S	91.1	Very high	90.7	Very high	75 Å²	75	49.1 Å²	49.1	52%	0.524	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-17.7	176.1	53.9	0	0	0	0	114.1	V271 D272 L273	V271-S275 VanDerWaalsContact O-CB 3.27Å; V271-S275 WeakPolarHBondContact O-CB 3.49Å; V271-S275 PolarHBondContact O-N 3.34Å; V271-S275 PolarHBondContact O-OG 3.05Å; D272-S275 PolarHBondContact O-OG 2.95Å; L273-S275 PolarHBondContact O-N 3.37Å
276	K	88.2	Confident	91.5	Very high	119 Å²	119	45.9 Å²	45.9	52%	0.517	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-7.1	-177.3	-62.4	179.1	-173.4	-175.7	0	114.1	D272 L273 L274	D272-K276 WeakPolarHBondContact O-CD 3.47Å; D272-K276 VanDerWaalsContact O-CE 3.26Å; D272-K276 WeakPolarHBondContact O-CE 3.43Å; D272-K276 WeakPolarHBondContact O-CG 3.44Å; L273-K276 PolarHBondContact O-N 2.97Å; L274-K276 VanDerWaalsContact C-N 3.27Å; L274-K276 PolarHBondContact O-N 2.95Å
277	I	91.6	Very high	92.2	Very high	18 Å²	18	45.1 Å²	45.1	9%	0.092	23%	0.231	C	C	.	.			trans	-109	136.5	-176	64.4	-178.5	0	0	0	111.7	L274 L282 Y337 L338 I346 F369	L274-I277 HydrophobicContact CD2-CD1 3.84Å; I277-L282 HydrophobicContact CB-CD1 4.33Å; I277-L282 HydrophobicContact CD1-CD1 4.07Å; I277-Y337 HydrophobicContact CB-CE1 3.95Å; I277-Y337 HydrophobicContact CG2-CE1 4.03Å; I277-L338 HydrophobicContact CD1-CD2 4.37Å; I277-L338 HydrophobicContact CG2-CD2 3.96Å; I277-I346 HydrophobicContact CG2-CD1 3.49Å; I277-I346 VanDerWaalsContact CG2-CD1 3.49Å; I277-F369 HydrophobicContact CD1-CD1 4.25Å; I277-F369 HydrophobicContact CD1-CE1 3.63Å; I277-F369 HydrophobicContact CD1-CE2 4.11Å; I277-F369 HydrophobicContact CD1-CZ 3.53Å
278	G	92.5	Very high	92.6	Very high	64 Å²	64	49.9 Å²	49.9	66%	0.66	25%	0.249	S	C	*	.			trans	-145.4	83.1	-179.6	0	0	0	0	0	111.1	Y337	G278-Y337 PolarHBondContact N-OH 2.85Å
279	H	96.7	Very high	93	Very high	46 Å²	46	44.7 Å²	44.7	21%	0.213	23%	0.228	C	C	.	.			trans	-137.4	145.3	-176.3	-173.7	-109.8	0	0	0	112.7	N281 L282 Y337	H279-N281 PolarHBondContact CE1-OD1 3.47Å; H279-N281 VanDerWaalsContact CE1-OD1 3.27Å; H279-N281 PolarHBondContact ND1-N 3.4Å; H279-N281 PolarHBondContact O-N 2.69Å; H279-L282 HydrophobicContact CB-CB 4.44Å; H279-L282 HydrophobicContact CB-CD1 3.87Å; H279-L282 HydrophobicContact CB-CG 3.96Å; H279-L282 PolarHBondContact O-N 3.32Å; H279-L282 VanDerWaalsContact O-N 3.09Å; H279-Y337 HydrophobicContact CB-CD1 3.88Å; H279-Y337 HydrophobicContact CB-CD2 4.23Å; H279-Y337 HydrophobicContact CB-CE1 4.08Å; H279-Y337 HydrophobicContact CB-CE2 4.43Å; H279-Y337 HydrophobicContact CB-CG 3.94Å; H279-Y337 AromaticContact CG-CG 3.98Å
280	R	97.3	Very high	93.2	Very high	193 Å²	193	47.5 Å²	47.5	73%	0.728	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-33.3	-173.9	81.7	-177.2	87.7	-162.6	5.8	113.2	K365	R280-K365 WeakPolarHBondContact O-CE 3.49Å; R280-K365 PolarHBondContact O-NZ 3Å
281	N	98.4	Very high	93	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.021	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	16.3	-178.1	-57.6	110.1	0	0	0	113.6	H279 D330 A364 K365 V366	H279-N281 PolarHBondContact CE1-OD1 3.47Å; H279-N281 VanDerWaalsContact CE1-OD1 3.27Å; H279-N281 PolarHBondContact ND1-N 3.4Å; H279-N281 PolarHBondContact O-N 2.69Å; N281-D330 WeakPolarHBondContact CB-O 3.49Å; N281-D330 WeakPolarHBondContact ND2-CB 3.4Å; N281-D330 PolarHBondContact ND2-OD1 3.29Å; N281-A364 WeakPolarHBondContact CA-O 3.39Å; N281-A364 PolarHBondContact ND2-O 2.75Å; N281-K365 CarbonylContact O-C 3.59Å; N281-K365 VanDerWaalsContact O-CA 3.31Å; N281-K365 WeakPolarHBondContact O-CA 3.32Å; N281-V366 PolarHBondContact O-N 3.35Å
282	L	97.9	Very high	92.6	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.016	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-119	155.2	169.7	-54.4	179.3	0	0	0	108.5	I277 H279 Y337 L338 K365 V366 F369	I277-L282 HydrophobicContact CB-CD1 4.33Å; I277-L282 HydrophobicContact CD1-CD1 4.07Å; H279-L282 HydrophobicContact CB-CB 4.44Å; H279-L282 HydrophobicContact CB-CD1 3.87Å; H279-L282 HydrophobicContact CB-CG 3.96Å; H279-L282 PolarHBondContact O-N 3.32Å; H279-L282 VanDerWaalsContact O-N 3.09Å; L282-Y337 HydrophobicContact CD1-CD1 3.66Å; L282-Y337 HydrophobicContact CD1-CE1 4Å; L282-L338 HydrophobicContact CD1-CD1 4.45Å; L282-L338 HydrophobicContact CD1-CD2 3.79Å; L282-L338 HydrophobicContact CD1-CG 3.99Å; L282-L338 HydrophobicContact CD2-CD1 4.09Å; L282-L338 HydrophobicContact CD2-CG 4.38Å; L282-K365 PolarHBondContact O-NZ 3.44Å; L282-V366 HydrophobicContact CD2-CB 3.74Å; L282-V366 HydrophobicContact CD2-CG2 3.99Å; L282-F369 HydrophobicContact CD1-CZ 4.46Å; L282-F369 HydrophobicContact CD2-CZ 4.2Å
283	V	96.7	Very high	92.3	Very high	9 Å²	9	59.8 Å²	59.8	6%	0.055	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-73.7	126.4	171.6	170.1	0	0	0	0	109.6	T299 E300 V302 L357 K365 V366 A367	V283-T299 HydrophobicContact CG1-CG2 3.92Å; V283-E300 HydrophobicContact CG1-CG 4.19Å; V283-V302 HydrophobicContact CG2-CG2 4.24Å; V283-L357 HydrophobicContact CG2-CD1 3.98Å; V283-K365 HydrophobicContact CG2-CB 4Å; V283-V366 PolarHBondContact N-O 3.03Å; V283-A367 HydrophobicContact CB-CB 4.3Å; V283-A367 HydrophobicContact CG2-CB 3.56Å
284	K	95.9	Very high	92.1	Very high	93 Å²	93	60.1 Å²	60.1	40%	0.404	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-78.8	129.8	178.7	-176	-179.8	176.8	-173.6	0	111.3	L286 T299 E300	K284-L286 HydrophobicContact CD-CD2 4.3Å; K284-L286 HydrophobicContact CG-CD2 4.46Å; K284-T299 WeakPolarHBondContact O-CA 3.32Å; K284-T299 WeakPolarHBondContact O-CB 3.26Å; K284-E300 HydrophobicContact CB-CG 4.39Å; K284-E300 WeakPolarHBondContact CB-OE1 3.42Å; K284-E300 PolarHBondContact N-OE1 3.06Å; K284-E300 PolarHBondContact O-N 2.93Å; K284-E300 VanDerWaalsContact O-N 3.12Å
285	L	95.3	Very high	92.1	Very high	26 Å²	26	60.5 Å²	60.5	14%	0.136	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	128.8	162.4	-172.8	68.1	0	0	0	110.4	L274 G287 I297	L274-L285 HydrophobicContact CB-CB 4.04Å; L274-L285 HydrophobicContact CB-CD1 4.36Å; L274-L285 HydrophobicContact CB-CD2 3.99Å; L274-L285 HydrophobicContact CB-CG 4.36Å; L274-L285 HydrophobicContact CD1-CD1 4.14Å; L285-G287 WeakPolarHBondContact CD1-O 3.34Å; L285-I297 HydrophobicContact CD1-CG2 3.49Å; L285-I297 VanDerWaalsContact CD1-CG2 3.49Å
286	L	95.2	Very high	92.2	Very high	24 Å²	24	57 Å²	57	13%	0.126	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-44.3	170.2	-59	-178.8	0	0	0	110.2	P210 L211 V250 K284 I298	P210-L286 CarbonylContact C-O 3.54Å; P210-L286 WeakPolarHBondContact CA-O 3.39Å; L211-L286 HydrophobicContact CB-CB 4.31Å; L211-L286 WeakPolarHBondContact CB-O 3.43Å; L211-L286 HydrophobicContact CD2-CB 4.43Å; L211-L286 PolarHBondContact N-O 2.89Å; V250-L286 HydrophobicContact CB-CD1 4.43Å; V250-L286 HydrophobicContact CG1-CD1 3.59Å; K284-L286 HydrophobicContact CD-CD2 4.3Å; K284-L286 HydrophobicContact CG-CD2 4.46Å; L286-I298 WeakPolarHBondContact CA-O 3.35Å; L286-I298 HydrophobicContact CB-CG2 4.27Å; L286-I298 PolarHBondContact N-O 3.49Å
287	G	94.5	Very high	92.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	-175.2	179.1	0	0	0	0	0	112.3	L285 I298	L285-G287 WeakPolarHBondContact CD1-O 3.34Å; G287-I298 PolarHBondContact N-O 3.43Å; G287-I298 WeakPolarHBondContact O-CA 3.41Å; G287-I298 WeakPolarHBondContact O-CB 3.3Å; G287-I298 PolarHBondContact O-N 3.44Å
288	Y	94	Very high	92.7	Very high	113 Å²	113	50.6 Å²	50.6	44%	0.443	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	165	176.3	67.7	-84.4	0	0	0	111	V271 D290 L296	V271-Y288 HydrophobicContact CG1-CD1 3.52Å; V271-Y288 HydrophobicContact CG1-CD2 4.14Å; V271-Y288 HydrophobicContact CG1-CE1 3.73Å; V271-Y288 HydrophobicContact CG1-CE2 4.32Å; V271-Y288 HydrophobicContact CG1-CG 3.75Å; V271-Y288 HydrophobicContact CG2-CD2 4.48Å; V271-Y288 HydrophobicContact CG2-CG 4.12Å; Y288-D290 HydrophobicContact CD2-CB 4.45Å; Y288-D290 HydrophobicContact CE2-CB 4.49Å; Y288-L296 CarbonylContact C-O 3.53Å; Y288-L296 WeakPolarHBondContact CA-O 3.38Å; Y288-L296 VanDerWaalsContact CB-O 3.31Å; Y288-L296 WeakPolarHBondContact CB-O 3.48Å
289	V	92.7	Very high	92.8	Very high	16 Å²	16	48.6 Å²	48.6	10%	0.097	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.4	169	-179	0	0	0	0	108.2	M215 I218 F267 K291 R295 L296	M215-V289 HydrophobicContact SD-CG1 4.18Å; I218-V289 HydrophobicContact CD1-CG2 3.6Å; F267-V289 WeakPolarHBondContact CZ-O 3.2Å; V289-K291 HydrophobicContact CG1-CB 4.14Å; V289-R295 CarbonylContact O-C 3.57Å; V289-R295 VanDerWaalsContact O-CA 3.31Å; V289-R295 WeakPolarHBondContact O-CA 3.4Å; V289-L296 HydrophobicContact CB-CB 4.02Å; V289-L296 HydrophobicContact CB-CD1 4.16Å; V289-L296 HydrophobicContact CB-CG 4.17Å; V289-L296 HydrophobicContact CG2-CB 4.39Å; V289-L296 HydrophobicContact CG2-CD1 4.18Å; V289-L296 PolarHBondContact N-O 3.27Å; V289-L296 PolarHBondContact O-N 2.91Å
290	D	88.1	Confident	92.8	Very high	80 Å²	80	48.8 Å²	48.8	43%	0.428	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	84	169	-169	15.2	0	0	0	107.3	F267 Y288 R295	F267-D290 HydrophobicContact CE1-CB 3.94Å; Y288-D290 HydrophobicContact CD2-CB 4.45Å; Y288-D290 HydrophobicContact CE2-CB 4.49Å; D290-R295 IonicContact OD1-CZ 3.69Å; D290-R295 IonicContact OD1-NH1 2.7Å; D290-R295 PolarHBondContact OD1-NH1 3.27Å; D290-R295 IonicContact OD2-NH1 3.77Å
291	K	84.7	Confident	92.8	Very high	168 Å²	168	42.2 Å²	42.2	73%	0.73	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-144.9	117.5	-174.6	-173.2	177.8	-179.2	179.1	0	111	V289 D293 E294	V289-K291 HydrophobicContact CG1-CB 4.14Å; K291-D293 PolarHBondContact O-N 3.39Å; K291-E294 PolarHBondContact N-O 2.98Å; K291-E294 VanDerWaalsContact N-O 3.09Å; K291-E294 PolarHBondContact O-N 3.16Å
292	G	82.5	Confident	92.7	Very high	63 Å²	63	42.5 Å²	42.5	65%	0.649	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	-127.9	-175.7	0	0	0	0	0	110.7	E294	G292-E294 VanDerWaalsContact C-N 3.29Å; G292-E294 PolarHBondContact O-N 3.03Å
293	D	82.2	Confident	92.5	Very high	115 Å²	115	48.8 Å²	48.8	62%	0.615	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	29.3	-179	-59.1	-29	0	0	0	113.3	K257 F260 K291	K257-D293 WeakPolarHBondContact CE-O 3.21Å; K257-D293 PolarHBondContact NZ-O 3.33Å; F260-D293 HydrophobicContact CE2-CB 3.97Å; F260-D293 VanDerWaalsContact CE2-O 3.23Å; F260-D293 WeakPolarHBondContact CE2-O 3.4Å; F260-D293 WeakPolarHBondContact CZ-O 3.08Å; K291-D293 PolarHBondContact O-N 3.39Å
294	E	87.9	Confident	92.4	Very high	26 Å²	26	50.5 Å²	50.5	12%	0.121	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	123.9	175.4	-63.5	-60.8	158.1	0	0	111.4	M215 R254 K257 K291 G292	M215-E294 HydrophobicContact CE-CB 4.48Å; M215-E294 HydrophobicContact CE-CG 3.92Å; M215-E294 HydrophobicContact SD-CB 4.07Å; M215-E294 HydrophobicContact SD-CG 4.09Å; R254-E294 IonicContact CZ-OE1 3.71Å; R254-E294 IonicContact CZ-OE2 3.42Å; R254-E294 IonicContact NE-OE1 3.79Å; R254-E294 IonicContact NE-OE2 3.97Å; R254-E294 PolarHBondContact NE-OE2 2.9Å; R254-E294 VanDerWaalsContact NH2-CD 3.33Å; R254-E294 IonicContact NH2-OE1 2.72Å; R254-E294 PolarHBondContact NH2-OE1 3.48Å; R254-E294 IonicContact NH2-OE2 3.18Å; R254-E294 PolarHBondContact NH2-OE2 2.93Å; K257-E294 VanDerWaalsContact CE-OE1 3.28Å; K257-E294 WeakPolarHBondContact CE-OE1 3.3Å; K257-E294 IonicContact NZ-OE1 2.67Å; K257-E294 PolarHBondContact NZ-OE1 3.44Å; K291-E294 PolarHBondContact N-O 2.98Å; K291-E294 VanDerWaalsContact N-O 3.09Å; K291-E294 PolarHBondContact O-N 3.16Å; G292-E294 VanDerWaalsContact C-N 3.29Å; G292-E294 PolarHBondContact O-N 3.03Å
295	R	90.5	Very high	92.3	Very high	16 Å²	16	46.6 Å²	46.6	6%	0.06	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	102.3	178.1	-61.3	-178.7	-172	-64.6	-12.5	108.2	A255 F260 F267 V289 D290	A255-R295 HydrophobicContact CB-CB 3.96Å; A255-R295 PolarHBondContact N-O 3.43Å; F260-R295 HydrophobicContact CD1-CG 4.29Å; F260-R295 HydrophobicContact CE1-CB 4.25Å; F260-R295 HydrophobicContact CE1-CG 4.09Å; F267-R295 HydrophobicContact CD1-CB 4.41Å; F267-R295 HydrophobicContact CD2-CB 3.82Å; F267-R295 HydrophobicContact CE1-CB 4.42Å; F267-R295 VanDerWaalsContact CE2-C 3.45Å; F267-R295 HydrophobicContact CE2-CB 3.79Å; F267-R295 HydrophobicContact CG-CB 4.13Å; F267-R295 HydrophobicContact CZ-CB 4.12Å; V289-R295 CarbonylContact O-C 3.57Å; V289-R295 VanDerWaalsContact O-CA 3.31Å; V289-R295 WeakPolarHBondContact O-CA 3.4Å; D290-R295 IonicContact OD1-CZ 3.69Å; D290-R295 IonicContact OD1-NH1 2.7Å; D290-R295 PolarHBondContact OD1-NH1 3.27Å; D290-R295 IonicContact OD2-NH1 3.77Å
296	L	93.6	Very high	92.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.1	-172.7	-50	179.1	0	0	0	110.8	M215 I218 F225 I252 K253 R254 Y288 V289	M215-L296 HydrophobicContact CE-CD1 4.03Å; M215-L296 HydrophobicContact SD-CD1 3.57Å; M215-L296 VanDerWaalsContact SD-CD1 3.57Å; I218-L296 HydrophobicContact CD1-CD1 3.46Å; I218-L296 VanDerWaalsContact CD1-CD1 3.46Å; I218-L296 HydrophobicContact CG2-CD1 3.95Å; F225-L296 HydrophobicContact CE1-CD2 4.44Å; F225-L296 HydrophobicContact CZ-CD1 4.23Å; F225-L296 HydrophobicContact CZ-CD2 4.29Å; I252-L296 HydrophobicContact CG2-CB 4.28Å; K253-L296 CarbonylContact O-C 3.56Å; K253-L296 WeakPolarHBondContact O-CA 3.48Å; R254-L296 HydrophobicContact CB-CD2 3.49Å; R254-L296 VanDerWaalsContact CB-CD2 3.49Å; R254-L296 HydrophobicContact CG-CD2 3.43Å; R254-L296 VanDerWaalsContact CG-CD2 3.43Å; Y288-L296 CarbonylContact C-O 3.53Å; Y288-L296 WeakPolarHBondContact CA-O 3.38Å; Y288-L296 VanDerWaalsContact CB-O 3.31Å; Y288-L296 WeakPolarHBondContact CB-O 3.48Å; V289-L296 HydrophobicContact CB-CB 4.02Å; V289-L296 HydrophobicContact CB-CD1 4.16Å; V289-L296 HydrophobicContact CB-CG 4.17Å; V289-L296 HydrophobicContact CG2-CB 4.39Å; V289-L296 HydrophobicContact CG2-CD1 4.18Å; V289-L296 PolarHBondContact N-O 3.27Å; V289-L296 PolarHBondContact O-N 2.91Å
297	I	94	Very high	92.5	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.015	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.1	169.7	-49.6	-173.6	0	0	0	107.9	I252 K253 F267 E270 V271 L274 L285 T299	I252-I297 CarbonylContact C-O 3.4Å; I252-I297 WeakPolarHBondContact CA-O 3.48Å; K253-I297 HydrophobicContact CB-CB 4.33Å; K253-I297 HydrophobicContact CD-CD1 4.49Å; K253-I297 PolarHBondContact N-O 3.45Å; K253-I297 PolarHBondContact O-N 2.9Å; F267-I297 HydrophobicContact CD2-CD1 4.01Å; F267-I297 HydrophobicContact CD2-CG1 3.79Å; F267-I297 HydrophobicContact CE2-CD1 4.1Å; F267-I297 HydrophobicContact CE2-CG1 3.38Å; F267-I297 HydrophobicContact CZ-CG1 4.22Å; E270-I297 HydrophobicContact CB-CD1 3.93Å; E270-I297 VanDerWaalsContact CD-CD1 3.42Å; E270-I297 HydrophobicContact CG-CD1 3.61Å; E270-I297 WeakPolarHBondContact OE2-CD1 3.21Å; V271-I297 HydrophobicContact CG2-CD1 4.12Å; V271-I297 HydrophobicContact CG2-CG1 4.12Å; L274-I297 HydrophobicContact CD1-CG2 3.93Å; L285-I297 HydrophobicContact CD1-CG2 3.49Å; L285-I297 VanDerWaalsContact CD1-CG2 3.49Å; I297-T299 HydrophobicContact CG2-CG2 4.1Å
298	I	95.7	Very high	92.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.7	-177.6	-52.2	154.2	0	0	0	108.1	L211 L213 I218 V250 A251 I252 L286 G287	L211-I298 HydrophobicContact CD2-CG2 4.14Å; L213-I298 HydrophobicContact CB-CD1 4.26Å; L213-I298 HydrophobicContact CD1-CD1 3.81Å; L213-I298 HydrophobicContact CG-CD1 4.08Å; I218-I298 HydrophobicContact CD1-CD1 4.21Å; V250-I298 HydrophobicContact CB-CG2 4Å; V250-I298 HydrophobicContact CG1-CG2 4.28Å; V250-I298 HydrophobicContact CG2-CG2 4.17Å; A251-I298 WeakPolarHBondContact O-CA 3.43Å; I252-I298 HydrophobicContact CG1-CG1 4.37Å; I252-I298 HydrophobicContact CG1-CG2 4.32Å; I252-I298 HydrophobicContact CG2-CG1 4.47Å; L286-I298 WeakPolarHBondContact CA-O 3.35Å; L286-I298 HydrophobicContact CB-CG2 4.27Å; L286-I298 PolarHBondContact N-O 3.49Å; G287-I298 PolarHBondContact N-O 3.43Å; G287-I298 WeakPolarHBondContact O-CA 3.41Å; G287-I298 WeakPolarHBondContact O-CB 3.3Å; G287-I298 PolarHBondContact O-N 3.44Å
299	T	95.9	Very high	92.5	Very high	23 Å²	23	42.8 Å²	42.8	14%	0.141	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	168.9	-177.7	58.1	0	0	0	0	111.9	V250 A251 V283 K284 I297	V250-T299 WeakPolarHBondContact CA-O 3.48Å; A251-T299 PolarHBondContact N-O 3.3Å; A251-T299 PolarHBondContact O-N 2.95Å; A251-T299 PolarHBondContact O-OG1 2.9Å; V283-T299 HydrophobicContact CG1-CG2 3.92Å; K284-T299 WeakPolarHBondContact O-CA 3.32Å; K284-T299 WeakPolarHBondContact O-CB 3.26Å; I297-T299 HydrophobicContact CG2-CG2 4.1Å
300	E	96.4	Very high	92.6	Very high	50 Å²	50	42.2 Å²	42.2	23%	0.234	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	137.3	170	67.8	-177.7	117.6	0	0	111.3	V283 K284 V302 K365	V283-E300 HydrophobicContact CG1-CG 4.19Å; K284-E300 HydrophobicContact CB-CG 4.39Å; K284-E300 WeakPolarHBondContact CB-OE1 3.42Å; K284-E300 PolarHBondContact N-OE1 3.06Å; K284-E300 PolarHBondContact O-N 2.93Å; K284-E300 VanDerWaalsContact O-N 3.12Å; E300-V302 HydrophobicContact CG-CG2 4.04Å; E300-V302 PolarHBondContact O-N 3.39Å; E300-K365 VanDerWaalsContact CD-NZ 3.28Å; E300-K365 IonicContact OE1-NZ 3.82Å; E300-K365 PolarHBondContact OE1-NZ 3.09Å; E300-K365 WeakPolarHBondContact OE2-CE 3.3Å; E300-K365 IonicContact OE2-NZ 3.59Å; E300-K365 PolarHBondContact OE2-NZ 3.19Å; E300-K365 VanDerWaalsContact OE2-NZ 3.14Å
301	Y	97.3	Very high	92.9	Very high	55 Å²	55	39 Å²	39	22%	0.216	20%	0.201	C	C	.	.			trans	-80.3	113.6	173.2	-179.8	-109.7	0	0	0	111.1	I231 K241 V249 A251 R303	I231-Y301 HydrophobicContact CD1-CD2 3.97Å; I231-Y301 HydrophobicContact CD1-CE2 3.68Å; I231-Y301 HydrophobicContact CG2-CE2 4.46Å; K241-Y301 HydrophobicContact CB-CE2 4.41Å; K241-Y301 HydrophobicContact CD-CE1 4.42Å; K241-Y301 HydrophobicContact CD-CE2 4.3Å; K241-Y301 HydrophobicContact CG-CD2 4.31Å; K241-Y301 HydrophobicContact CG-CE2 4.13Å; V249-Y301 HydrophobicContact CB-CD1 4.25Å; V249-Y301 HydrophobicContact CB-CG 4.5Å; V249-Y301 HydrophobicContact CG1-CD1 3.49Å; V249-Y301 VanDerWaalsContact CG1-CD1 3.49Å; V249-Y301 HydrophobicContact CG1-CE1 4.2Å; V249-Y301 HydrophobicContact CG1-CG 3.66Å; V249-Y301 WeakPolarHBondContact O-CB 3.44Å; A251-Y301 HydrophobicContact CB-CD2 4.41Å; Y301-R303 HydrophobicContact CD1-CG 3.69Å; Y301-R303 HydrophobicContact CE1-CB 4.2Å; Y301-R303 HydrophobicContact CE1-CG 3.68Å
302	V	96.6	Very high	93.3	Very high	10 Å²	10	34.9 Å²	34.9	6%	0.061	19%	0.188	C	C	.	.			trans	-93.8	104.3	179.1	-176.6	0	0	0	0	109.7	V283 E300 N304 G305 L357 L358 K365	V283-V302 HydrophobicContact CG2-CG2 4.24Å; E300-V302 HydrophobicContact CG-CG2 4.04Å; E300-V302 PolarHBondContact O-N 3.39Å; V302-N304 PolarHBondContact O-N 2.84Å; V302-G305 PolarHBondContact O-N 3.2Å; V302-L357 HydrophobicContact CB-CB 3.77Å; V302-L357 HydrophobicContact CB-CD1 3.92Å; V302-L357 HydrophobicContact CB-CG 4.5Å; V302-L357 HydrophobicContact CG1-CB 3.5Å; V302-L357 HydrophobicContact CG2-CB 4.29Å; V302-L357 HydrophobicContact CG2-CD1 4.13Å; V302-L358 WeakPolarHBondContact CG1-O 3.29Å; V302-K365 HydrophobicContact CG2-CD 3.84Å
303	R	93.6	Very high	93.6	Very high	135 Å²	135	32.8 Å²	32.8	51%	0.509	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-38.7	-158.4	-72.8	166.2	165.5	-163.8	-6.8	116.5	Y301 G305 D360	Y301-R303 HydrophobicContact CD1-CG 3.69Å; Y301-R303 HydrophobicContact CE1-CB 4.2Å; Y301-R303 HydrophobicContact CE1-CG 3.68Å; R303-G305 PolarHBondContact O-N 3.12Å; R303-D360 VanDerWaalsContact CB-OD1 3.25Å; R303-D360 WeakPolarHBondContact CB-OD1 3.37Å; R303-D360 VanDerWaalsContact CD-CG 3.48Å; R303-D360 WeakPolarHBondContact CD-OD1 3.5Å; R303-D360 WeakPolarHBondContact CD-OD2 3.3Å; R303-D360 IonicContact CZ-OD2 3.08Å; R303-D360 IonicContact NE-OD2 3.87Å; R303-D360 IonicContact NH1-OD1 3.01Å; R303-D360 IonicContact NH1-OD2 3.86Å; R303-D360 PolarHBondContact NH1-OD2 3.48Å
304	N	94.6	Very high	93.8	Very high	44 Å²	44	31.4 Å²	31.4	24%	0.235	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	6.2	-177.6	-72.1	-37.9	0	0	0	113.3	V302 H310 R315 L358 T359 D360 M362	V302-N304 PolarHBondContact O-N 2.84Å; N304-H310 PolarHBondContact O-NE2 3.48Å; N304-R315 VanDerWaalsContact O-CZ 3.24Å; N304-R315 PolarHBondContact O-NE 3.46Å; N304-R315 PolarHBondContact O-NH1 3.38Å; N304-L358 WeakPolarHBondContact CA-O 3.44Å; N304-L358 HydrophobicContact CB-CB 4.03Å; N304-L358 VanDerWaalsContact CB-O 3.29Å; N304-L358 WeakPolarHBondContact CB-O 3.49Å; N304-L358 PolarHBondContact N-O 2.72Å; N304-L358 VanDerWaalsContact N-O 3.09Å; N304-T359 PolarHBondContact ND2-O 2.85Å; N304-D360 WeakPolarHBondContact ND2-CA 3.44Å; N304-M362 HydrophobicContact CB-SD 4.29Å; N304-M362 PolarHBondContact ND2-SD 2.89Å
305	G	94	Very high	93.5	Very high	11 Å²	11	35.1 Å²	35.1	11%	0.113	18%	0.184	C	C	.	.			trans	68.3	-153.8	171.9	0	0	0	0	0	113.9	V302 R303 L357 L358	V302-G305 PolarHBondContact O-N 3.2Å; R303-G305 PolarHBondContact O-N 3.12Å; G305-L357 CarbonylContact O-C 3.57Å; G305-L357 VanDerWaalsContact O-CA 3.26Å; G305-L357 WeakPolarHBondContact O-CA 3.29Å; G305-L358 PolarHBondContact O-N 2.94Å
306	T	96	Very high	92.7	Very high	29 Å²	29	37.6 Å²	37.6	18%	0.178	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-83.9	146.4	-170.6	92.1	0	0	0	0	112.1	R308 D309 H310 S354 I356 L357	T306-R308 PolarHBondContact O-N 2.81Å; T306-R308 WeakPolarHBondContact OG1-CB 3.36Å; T306-R308 PolarHBondContact OG1-N 3.27Å; T306-D309 PolarHBondContact N-OD2 3.32Å; T306-D309 VanDerWaalsContact O-CB 3.29Å; T306-D309 WeakPolarHBondContact O-CB 3.34Å; T306-D309 PolarHBondContact O-N 3.33Å; T306-D309 PolarHBondContact OG1-N 3.31Å; T306-D309 PolarHBondContact OG1-OD1 3.2Å; T306-H310 PolarHBondContact O-CD2 3.26Å; T306-S354 WeakPolarHBondContact CG2-O 3.32Å; T306-I356 CarbonylContact C-O 3.56Å; T306-I356 WeakPolarHBondContact CA-O 3.37Å; T306-L357 HydrophobicContact CG2-CD2 3.94Å
307	L	97.2	Very high	91.8	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-55.7	-31.9	172.3	172.7	60.3	0	0	0	111.9	D309 H310 L311 L319 I327 S353 I356 L358 L417 I421	L307-D309 VanDerWaalsContact C-N 3.33Å; L307-D309 PolarHBondContact O-N 3Å; L307-H310 PolarHBondContact O-N 2.72Å; L307-L311 HydrophobicContact CD1-CD1 4.36Å; L307-L311 HydrophobicContact CD1-CG 4.17Å; L307-L311 HydrophobicContact CG-CD1 4.13Å; L307-L311 HydrophobicContact CG-CG 4.39Å; L307-L311 WeakPolarHBondContact O-CG 3.49Å; L307-L311 PolarHBondContact O-N 3.12Å; L307-L319 HydrophobicContact CD1-CD1 3.48Å; L307-L319 VanDerWaalsContact CD1-CD1 3.48Å; L307-I327 HydrophobicContact CD1-CD1 4.26Å; L307-I327 HydrophobicContact CD1-CG2 4.18Å; L307-I327 HydrophobicContact CD2-CG2 3.87Å; L307-S353 WeakPolarHBondContact CB-O 3.2Å; L307-S353 PolarHBondContact N-O 3.49Å; L307-I356 HydrophobicContact CB-CB 3.93Å; L307-I356 HydrophobicContact CB-CG2 4.17Å; L307-I356 HydrophobicContact CD2-CB 4.02Å; L307-I356 HydrophobicContact CD2-CG1 4.29Å; L307-I356 HydrophobicContact CD2-CG2 4.04Å; L307-I356 PolarHBondContact N-O 2.7Å; L307-L358 HydrophobicContact CD1-CD1 4.47Å; L307-L417 HydrophobicContact CD2-CD1 4.24Å; L307-I421 HydrophobicContact CD2-CD1 3.77Å; L307-I421 HydrophobicContact CD2-CG1 3.89Å
308	R	95.5	Very high	91.4	Very high	14 Å²	14	46.4 Å²	46.4	5%	0.053	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-39.2	175	-168.2	61	-108	168	1.5	112.1	T306 H310 L311 D312 S353 E420 G424	T306-R308 PolarHBondContact O-N 2.81Å; T306-R308 WeakPolarHBondContact OG1-CB 3.36Å; T306-R308 PolarHBondContact OG1-N 3.27Å; R308-H310 PolarHBondContact O-N 3.31Å; R308-L311 PolarHBondContact O-N 3.02Å; R308-D312 IonicContact CZ-OD1 3.19Å; R308-D312 VanDerWaalsContact CZ-OD1 3.25Å; R308-D312 VanDerWaalsContact NE-CG 3.33Å; R308-D312 IonicContact NE-OD1 3.77Å; R308-D312 PolarHBondContact NE-OD1 2.91Å; R308-D312 VanDerWaalsContact NE-OD1 3.08Å; R308-D312 IonicContact NE-OD2 2.75Å; R308-D312 PolarHBondContact NE-OD2 3.23Å; R308-D312 IonicContact NH2-OD1 2.72Å; R308-D312 PolarHBondContact NH2-OD1 3.36Å; R308-D312 WeakPolarHBondContact O-CB 3.41Å; R308-D312 PolarHBondContact O-N 3.17Å; R308-S353 WeakPolarHBondContact CD-OG 2.98Å; R308-S353 PolarHBondContact N-O 3.26Å; R308-E420 IonicContact CZ-OE1 2.7Å; R308-E420 IonicContact NH1-OE1 2.66Å; R308-E420 PolarHBondContact NH1-OE1 2.9Å; R308-G424 PolarHBondContact NH1-O 3.09Å; R308-G424 PolarHBondContact NH2-O 3.03Å
309	D	94.2	Very high	91.2	Very high	41 Å²	41	46.5 Å²	46.5	22%	0.219	26%	0.26	C	S	.	.	H	α-helix	trans	-58.8	-38.1	176.4	-48.3	-3.7	0	0	0	111.5	T306 L307 G313 A314 R315	T306-D309 PolarHBondContact N-OD2 3.32Å; T306-D309 VanDerWaalsContact O-CB 3.29Å; T306-D309 WeakPolarHBondContact O-CB 3.34Å; T306-D309 PolarHBondContact O-N 3.33Å; T306-D309 PolarHBondContact OG1-N 3.31Å; T306-D309 PolarHBondContact OG1-OD1 3.2Å; L307-D309 VanDerWaalsContact C-N 3.33Å; L307-D309 PolarHBondContact O-N 3Å; D309-G313 PolarHBondContact O-N 3.45Å; D309-A314 PolarHBondContact O-N 2.95Å; D309-R315 HydrophobicContact CB-CG 3.72Å; D309-R315 IonicContact OD2-CZ 3.92Å; D309-R315 IonicContact OD2-NE 3.59Å; D309-R315 PolarHBondContact OD2-NE 3.08Å; D309-R315 VanDerWaalsContact OD2-NE 3.12Å; D309-R315 IonicContact OD2-NH2 3.46Å; D309-R315 PolarHBondContact OD2-NH2 3.05Å
310	H	95.1	Very high	91.1	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.019	27%	0.265	C	S	.	.	H	α-helix	trans	-76.9	-37.7	180	-70.7	-93	0	0	0	112.3	N304 T306 L307 R308 G313 L319	N304-H310 PolarHBondContact O-NE2 3.48Å; T306-H310 PolarHBondContact O-CD2 3.26Å; L307-H310 PolarHBondContact O-N 2.72Å; R308-H310 PolarHBondContact O-N 3.31Å; H310-G313 PolarHBondContact O-N 3.14Å; H310-G313 VanDerWaalsContact O-N 3.14Å; H310-L319 HydrophobicContact CB-CD1 3.82Å; H310-L319 HydrophobicContact CB-CD2 4.37Å; H310-L319 HydrophobicContact CB-CG 3.91Å
311	L	94.5	Very high	90.9	Very high	11 Å²	11	45.2 Å²	45.2	6%	0.058	25%	0.254	C	S	.	.	H	α-helix	trans	-70.1	-32.7	174.6	-66.1	176.2	0	0	0	112.3	L307 R308 G313 L319 E420 I421	L307-L311 HydrophobicContact CD1-CD1 4.36Å; L307-L311 HydrophobicContact CD1-CG 4.17Å; L307-L311 HydrophobicContact CG-CD1 4.13Å; L307-L311 HydrophobicContact CG-CG 4.39Å; L307-L311 WeakPolarHBondContact O-CG 3.49Å; L307-L311 PolarHBondContact O-N 3.12Å; R308-L311 PolarHBondContact O-N 3.02Å; L311-G313 PolarHBondContact O-N 2.87Å; L311-L319 HydrophobicContact CD2-CD1 4.43Å; L311-E420 HydrophobicContact CD1-CG 3.88Å; L311-I421 HydrophobicContact CD1-CG1 4.41Å
312	D	91.7	Very high	90.8	Very high	83 Å²	83	45.1 Å²	45.1	44%	0.444	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-10.2	169.9	-69.6	-31.2	0	0	0	112.8	R308 A314 R426	R308-D312 IonicContact CZ-OD1 3.19Å; R308-D312 VanDerWaalsContact CZ-OD1 3.25Å; R308-D312 VanDerWaalsContact NE-CG 3.33Å; R308-D312 IonicContact NE-OD1 3.77Å; R308-D312 PolarHBondContact NE-OD1 2.91Å; R308-D312 VanDerWaalsContact NE-OD1 3.08Å; R308-D312 IonicContact NE-OD2 2.75Å; R308-D312 PolarHBondContact NE-OD2 3.23Å; R308-D312 IonicContact NH2-OD1 2.72Å; R308-D312 PolarHBondContact NH2-OD1 3.36Å; R308-D312 WeakPolarHBondContact O-CB 3.41Å; R308-D312 PolarHBondContact O-N 3.17Å; D312-A314 PolarHBondContact O-N 3.32Å; D312-R426 IonicContact OD1-NE 2.86Å; D312-R426 IonicContact OD1-NH2 3.94Å; D312-R426 IonicContact OD2-CZ 3.51Å; D312-R426 IonicContact OD2-NH2 3.77Å; D312-R426 PolarHBondContact OD2-NH2 3.46Å
313	G	88.6	Confident	90.7	Very high	19 Å²	19	47.5 Å²	47.5	20%	0.196	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	10	-176.9	0	0	0	0	0	114.7	D309 H310 L311 R315 G316	D309-G313 PolarHBondContact O-N 3.45Å; H310-G313 PolarHBondContact O-N 3.14Å; H310-G313 VanDerWaalsContact O-N 3.14Å; L311-G313 PolarHBondContact O-N 2.87Å; G313-R315 PolarHBondContact O-N 2.69Å; G313-R315 VanDerWaalsContact O-N 3.17Å; G313-G316 PolarHBondContact O-N 3.14Å
314	A	86.5	Confident	90.8	Very high	86 Å²	86	41.3 Å²	41.3	71%	0.711	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.1	-179.3	0	0	0	0	0	113.3	D309 D312 G316	D309-A314 PolarHBondContact O-N 2.95Å; D312-A314 PolarHBondContact O-N 3.32Å; A314-G316 VanDerWaalsContact C-N 3.32Å
315	R	81.2	Confident	90.9	Very high	104 Å²	104	39.2 Å²	39.2	39%	0.392	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	2.3	176.5	-63.5	-87.5	171.8	177.8	-9.5	113.4	N304 D309 G313 T317	N304-R315 VanDerWaalsContact O-CZ 3.24Å; N304-R315 PolarHBondContact O-NE 3.46Å; N304-R315 PolarHBondContact O-NH1 3.38Å; D309-R315 HydrophobicContact CB-CG 3.72Å; D309-R315 IonicContact OD2-CZ 3.92Å; D309-R315 IonicContact OD2-NE 3.59Å; D309-R315 PolarHBondContact OD2-NE 3.08Å; D309-R315 VanDerWaalsContact OD2-NE 3.12Å; D309-R315 IonicContact OD2-NH2 3.46Å; D309-R315 PolarHBondContact OD2-NH2 3.05Å; G313-R315 PolarHBondContact O-N 2.69Å; G313-R315 VanDerWaalsContact O-N 3.17Å; R315-T317 PolarHBondContact O-N 2.65Å
316	G	74.7	Confident	91.1	Very high	67 Å²	67	39.8 Å²	39.8	69%	0.691	23%	0.233	S	C	*	.	S	Bend	trans	75.9	-41.3	-179.6	0	0	0	0	0	114.4	G313 A314	G313-G316 PolarHBondContact O-N 3.14Å; A314-G316 VanDerWaalsContact C-N 3.32Å
317	T	74.4	Confident	91.2	Very high	93 Å²	93	38.4 Å²	38.4	57%	0.571	22%	0.224	S	C	*	.	S	Bend	trans	-84.7	133.3	170.4	52.5	0	0	0	0	110.8	R315	R315-T317 PolarHBondContact O-N 2.65Å
318	K	85.1	Confident	91.3	Very high	96 Å²	96	38.5 Å²	38.5	42%	0.417	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-101.5	134.7	177.2	-78.5	159.1	166.8	-172.9	0	109.2	N320 N459	K318-N320 PolarHBondContact O-N 2.99Å; K318-N459 HydrophobicContact CB-CB 4.24Å; K318-N459 HydrophobicContact CD-CB 3.8Å; K318-N459 WeakPolarHBondContact CD-OD1 3.29Å; K318-N459 WeakPolarHBondContact CE-OD1 3.43Å; K318-N459 HydrophobicContact CG-CB 4.12Å; K318-N459 PolarHBondContact NZ-OD1 2.65Å
319	L	92.9	Very high	91.4	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-66.9	127.4	-179.1	-60.9	172.1	0	0	0	110.7	L307 H310 L311 Q323 R324 I327 L358 M362	L307-L319 HydrophobicContact CD1-CD1 3.48Å; L307-L319 VanDerWaalsContact CD1-CD1 3.48Å; H310-L319 HydrophobicContact CB-CD1 3.82Å; H310-L319 HydrophobicContact CB-CD2 4.37Å; H310-L319 HydrophobicContact CB-CG 3.91Å; L311-L319 HydrophobicContact CD2-CD1 4.43Å; L319-Q323 HydrophobicContact CB-CB 4.49Å; L319-Q323 HydrophobicContact CD2-CB 4.21Å; L319-R324 HydrophobicContact CB-CG 3.9Å; L319-R324 PolarHBondContact O-NE 3.22Å; L319-R324 PolarHBondContact O-NH2 3.44Å; L319-I327 HydrophobicContact CD1-CD1 3.84Å; L319-I327 HydrophobicContact CD2-CD1 4.09Å; L319-L358 HydrophobicContact CD2-CD1 4.38Å; L319-M362 HydrophobicContact CD2-CE 3.36Å
320	N	92.3	Very high	91.7	Very high	44 Å²	44	36.4 Å²	36.4	24%	0.235	22%	0.215	C	C	.	.			trans	-76.2	175.2	170.1	74.8	-0.4	0	0	0	111.3	K318 Q323 R324 E462	K318-N320 PolarHBondContact O-N 2.99Å; N320-Q323 VanDerWaalsContact N-OE1 3.07Å; N320-Q323 WeakPolarHBondContact OD1-CB 3.34Å; N320-Q323 WeakPolarHBondContact OD1-CG 3.45Å; N320-Q323 PolarHBondContact OD1-N 3Å; N320-Q323 PolarHBondContact OD1-OE1 3.37Å; N320-R324 VanDerWaalsContact O-CG 3.25Å; N320-R324 WeakPolarHBondContact O-CG 3.31Å; N320-R324 PolarHBondContact O-N 3.38Å; N320-R324 VanDerWaalsContact O-N 3.11Å; N320-E462 VanDerWaalsContact CB-CD 3.47Å; N320-E462 HydrophobicContact CB-CG 4.07Å; N320-E462 WeakPolarHBondContact CB-OE1 3.42Å; N320-E462 PolarHBondContact ND2-OE1 2.82Å
321	F	93.8	Very high	91.8	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.009	21%	0.214	C	C	.	.	H	α-helix	trans	-69.3	-40.1	-176.1	-179.8	-92.2	0	0	0	111.7	Q323 R324 L325 L422 E462 V464 I468 L469 M472 Y504	F321-Q323 PolarHBondContact O-N 3.05Å; F321-R324 WeakPolarHBondContact O-CB 3.46Å; F321-R324 PolarHBondContact O-N 2.78Å; F321-L325 HydrophobicContact CE1-CD2 4.29Å; F321-L325 PolarHBondContact O-N 3.04Å; F321-L422 HydrophobicContact CE2-CD2 3.89Å; F321-E462 WeakPolarHBondContact CA-OE2 3.45Å; F321-E462 HydrophobicContact CB-CB 4.31Å; F321-E462 WeakPolarHBondContact CB-OE2 3.27Å; F321-E462 PolarHBondContact N-OE2 2.78Å; F321-V464 HydrophobicContact CB-CG2 3.56Å; F321-V464 HydrophobicContact CD1-CG1 3.99Å; F321-V464 HydrophobicContact CD1-CG2 3.79Å; F321-V464 HydrophobicContact CD2-CG1 4.26Å; F321-V464 HydrophobicContact CD2-CG2 3.73Å; F321-V464 HydrophobicContact CE1-CG1 3.79Å; F321-V464 HydrophobicContact CE1-CG2 4.42Å; F321-V464 HydrophobicContact CE2-CG1 4.07Å; F321-V464 HydrophobicContact CE2-CG2 4.36Å; F321-V464 HydrophobicContact CG-CB 4.47Å; F321-V464 HydrophobicContact CG-CG1 4.22Å; F321-V464 HydrophobicContact CG-CG2 3.39Å; F321-V464 HydrophobicContact CZ-CG1 3.83Å; F321-I468 HydrophobicContact CE1-CG2 3.83Å; F321-I468 HydrophobicContact CZ-CG2 3.75Å; F321-L469 HydrophobicContact CD2-CD2 4.38Å; F321-L469 HydrophobicContact CE2-CD2 3.87Å; F321-M472 HydrophobicContact CZ-CG 4.09Å; F321-Y504 AromaticContact CD1-CD2 3.97Å; F321-Y504 HydrophobicContact CD1-CD2 3.97Å; F321-Y504 HydrophobicContact CD1-CE1 4.44Å; F321-Y504 AromaticContact CD1-CE2 3.53Å; F321-Y504 HydrophobicContact CD1-CE2 3.53Å; F321-Y504 AromaticContact CD1-CZ 3.8Å; F321-Y504 AromaticContact CE1-CD2 3.79Å; F321-Y504 HydrophobicContact CE1-CD2 3.79Å; F321-Y504 AromaticContact CE1-CE2 3.87Å; F321-Y504 HydrophobicContact CE1-CE2 3.87Å; F321-Y504 HydrophobicContact CE1-CG 4.24Å
322	N	93.5	Very high	92	Very high	53 Å²	53	35.7 Å²	35.7	28%	0.283	21%	0.211	S	C	.	.	H	α-helix	trans	-57.6	-47	175.9	-173.8	52.1	0	0	0	112.5	R324 L325 E326 E462 Y504	N322-R324 PolarHBondContact O-N 2.7Å; N322-L325 PolarHBondContact O-N 3.43Å; N322-E326 WeakPolarHBondContact O-CG 3.32Å; N322-E326 PolarHBondContact O-N 3.43Å; N322-E462 PolarHBondContact N-OE2 3.19Å; N322-Y504 HydrophobicContact CB-CE1 3.96Å
323	Q	94.8	Very high	92.4	Very high	60 Å²	60	35.6 Å²	35.6	28%	0.28	21%	0.208	S	C	.	.	H	α-helix	trans	-61	-44.2	176.1	-75.3	167	-29	0	0	111.6	L319 N320 F321 L325 E326 I327	L319-Q323 HydrophobicContact CB-CB 4.49Å; L319-Q323 HydrophobicContact CD2-CB 4.21Å; N320-Q323 VanDerWaalsContact N-OE1 3.07Å; N320-Q323 WeakPolarHBondContact OD1-CB 3.34Å; N320-Q323 WeakPolarHBondContact OD1-CG 3.45Å; N320-Q323 PolarHBondContact OD1-N 3Å; N320-Q323 PolarHBondContact OD1-OE1 3.37Å; F321-Q323 PolarHBondContact O-N 3.05Å; Q323-L325 VanDerWaalsContact C-N 3.31Å; Q323-L325 PolarHBondContact O-N 2.61Å; Q323-E326 PolarHBondContact O-N 3.19Å; Q323-I327 WeakPolarHBondContact O-CB 3.22Å; Q323-I327 WeakPolarHBondContact O-CD1 3.31Å; Q323-I327 WeakPolarHBondContact O-CG1 3.15Å; Q323-I327 PolarHBondContact O-N 3.09Å
324	R	96.6	Very high	92.8	Very high	5 Å²	5	34.7 Å²	34.7	2%	0.019	20%	0.198	C	C	.	.	H	α-helix	trans	-58	-43.3	175.3	-71.5	170.6	-162.3	-124.3	5.1	111.4	L319 N320 F321 N322 I327 V328 I421 D457	L319-R324 HydrophobicContact CB-CG 3.9Å; L319-R324 PolarHBondContact O-NE 3.22Å; L319-R324 PolarHBondContact O-NH2 3.44Å; N320-R324 VanDerWaalsContact O-CG 3.25Å; N320-R324 WeakPolarHBondContact O-CG 3.31Å; N320-R324 PolarHBondContact O-N 3.38Å; N320-R324 VanDerWaalsContact O-N 3.11Å; F321-R324 WeakPolarHBondContact O-CB 3.46Å; F321-R324 PolarHBondContact O-N 2.78Å; N322-R324 PolarHBondContact O-N 2.7Å; R324-I327 PolarHBondContact O-N 3.45Å; R324-V328 WeakPolarHBondContact O-CG2 3.36Å; R324-V328 PolarHBondContact O-N 3.3Å; R324-I421 HydrophobicContact CB-CG2 3.62Å; R324-I421 WeakPolarHBondContact CD-O 3.07Å; R324-I421 HydrophobicContact CG-CG2 3.83Å; R324-I421 PolarHBondContact NH1-O 3.05Å; R324-D457 IonicContact CZ-OD2 3.75Å; R324-D457 VanDerWaalsContact NH1-CB 3.35Å; R324-D457 IonicContact NH1-OD2 3.38Å; R324-D457 PolarHBondContact NH1-OD2 3.13Å; R324-D457 IonicContact NH2-OD2 3.63Å; R324-D457 PolarHBondContact NH2-OD2 2.86Å
325	L	96.8	Very high	93.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.5	-45.2	178	178.9	57.8	0	0	0	112.7	F321 N322 Q323 I327 V328 I329 M472 L497 R501 Y504	F321-L325 HydrophobicContact CE1-CD2 4.29Å; F321-L325 PolarHBondContact O-N 3.04Å; N322-L325 PolarHBondContact O-N 3.43Å; Q323-L325 VanDerWaalsContact C-N 3.31Å; Q323-L325 PolarHBondContact O-N 2.61Å; L325-I327 VanDerWaalsContact C-N 3.34Å; L325-I327 PolarHBondContact O-N 3.01Å; L325-V328 PolarHBondContact O-N 2.83Å; L325-I329 HydrophobicContact CD1-CD1 3.99Å; L325-I329 HydrophobicContact CD1-CG1 4.5Å; L325-I329 HydrophobicContact CG-CD1 4.06Å; L325-I329 WeakPolarHBondContact O-CD1 3.32Å; L325-I329 WeakPolarHBondContact O-CG1 3.37Å; L325-I329 PolarHBondContact O-N 3.26Å; L325-M472 HydrophobicContact CD1-CE 3.74Å; L325-M472 HydrophobicContact CD1-SD 3.83Å; L325-L497 HydrophobicContact CD1-CD2 4.49Å; L325-R501 HydrophobicContact CD2-CB 4.09Å; L325-R501 HydrophobicContact CD2-CG 4.18Å; L325-Y504 HydrophobicContact CD2-CD1 4.05Å; L325-Y504 HydrophobicContact CD2-CG 4.33Å
326	E	97.6	Very high	94.2	Very high	22 Å²	22	26.2 Å²	26.2	10%	0.103	15%	0.149	C	C	.	.	H	α-helix	trans	-62.5	-40.1	175.2	-65.8	-68.4	139.3	0	0	111.9	N322 Q323 I329 D330 R363 R501	N322-E326 WeakPolarHBondContact O-CG 3.32Å; N322-E326 PolarHBondContact O-N 3.43Å; Q323-E326 PolarHBondContact O-N 3.19Å; E326-I329 PolarHBondContact O-N 2.92Å; E326-D330 WeakPolarHBondContact O-CB 3.4Å; E326-D330 PolarHBondContact O-N 3.27Å; E326-R363 IonicContact OE2-CZ 2.77Å; E326-R363 IonicContact OE2-NH1 3.21Å; E326-R363 IonicContact OE2-NH2 2.71Å; E326-R501 VanDerWaalsContact CD-NH2 3.35Å; E326-R501 IonicContact OE1-CZ 4Å; E326-R501 IonicContact OE1-NE 3.12Å; E326-R501 PolarHBondContact OE1-NE 3.48Å; E326-R501 IonicContact OE1-NH2 2.69Å; E326-R501 PolarHBondContact OE1-NH2 3.21Å; E326-R501 IonicContact OE2-CZ 3.54Å; E326-R501 IonicContact OE2-NH2 3.09Å; E326-R501 PolarHBondContact OE2-NH2 3.1Å
327	I	98.4	Very high	95.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.7	-44.7	175.3	-74.8	164.6	0	0	0	111.1	L307 L319 Q323 R324 L325 I329 D330 V331 L358 A364 I421	L307-I327 HydrophobicContact CD1-CD1 4.26Å; L307-I327 HydrophobicContact CD1-CG2 4.18Å; L307-I327 HydrophobicContact CD2-CG2 3.87Å; L319-I327 HydrophobicContact CD1-CD1 3.84Å; L319-I327 HydrophobicContact CD2-CD1 4.09Å; Q323-I327 WeakPolarHBondContact O-CB 3.22Å; Q323-I327 WeakPolarHBondContact O-CD1 3.31Å; Q323-I327 WeakPolarHBondContact O-CG1 3.15Å; Q323-I327 PolarHBondContact O-N 3.09Å; R324-I327 PolarHBondContact O-N 3.45Å; L325-I327 VanDerWaalsContact C-N 3.34Å; L325-I327 PolarHBondContact O-N 3.01Å; I327-I329 VanDerWaalsContact C-N 3.34Å; I327-I329 PolarHBondContact O-N 3.04Å; I327-D330 PolarHBondContact O-N 3.01Å; I327-V331 WeakPolarHBondContact O-CG2 3.31Å; I327-V331 PolarHBondContact O-N 2.88Å; I327-L358 HydrophobicContact CD1-CD1 3.93Å; I327-L358 HydrophobicContact CD1-CD2 3.84Å; I327-L358 HydrophobicContact CG1-CD2 3.93Å; I327-A364 HydrophobicContact CB-CB 4.36Å; I327-A364 HydrophobicContact CG1-CB 4.35Å; I327-A364 HydrophobicContact CG2-CB 4.02Å; I327-I421 HydrophobicContact CG2-CD1 4.4Å
328	V	98.6	Very high	96.4	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.012	10%	0.098	C	C	.	.	H	α-helix	trans	-61.9	-41.8	176.8	168.8	0	0	0	0	111.2	R324 L325 C332 F414 L418 I421 L497	R324-V328 WeakPolarHBondContact O-CG2 3.36Å; R324-V328 PolarHBondContact O-N 3.3Å; L325-V328 PolarHBondContact O-N 2.83Å; V328-C332 VanDerWaalsContact O-CB 3.32Å; V328-C332 WeakPolarHBondContact O-CB 3.43Å; V328-C332 PolarHBondContact O-N 2.9Å; V328-F414 HydrophobicContact CG1-CE2 4.36Å; V328-F414 HydrophobicContact CG1-CZ 3.71Å; V328-L418 HydrophobicContact CB-CD1 4.27Å; V328-L418 HydrophobicContact CG1-CD1 3.7Å; V328-L418 HydrophobicContact CG1-CD2 4.49Å; V328-L418 HydrophobicContact CG2-CD1 3.53Å; V328-I421 HydrophobicContact CG2-CB 4.42Å; V328-I421 HydrophobicContact CG2-CD1 3.61Å; V328-I421 HydrophobicContact CG2-CG2 3.93Å; V328-L497 HydrophobicContact CG1-CD1 3.86Å; V328-L497 HydrophobicContact CG1-CD2 3.62Å; V328-L497 HydrophobicContact CG1-CG 4.42Å
329	I	98.7	Very high	97	Very high	11 Å²	11	16.7 Å²	16.7	6%	0.056	8%	0.081	C	C	.	.	H	α-helix	trans	-65.6	-41.3	176.1	-73.8	161.7	0	0	0	111.7	L325 E326 I327 C332 H333 L497 R501	L325-I329 HydrophobicContact CD1-CD1 3.99Å; L325-I329 HydrophobicContact CD1-CG1 4.5Å; L325-I329 HydrophobicContact CG-CD1 4.06Å; L325-I329 WeakPolarHBondContact O-CD1 3.32Å; L325-I329 WeakPolarHBondContact O-CG1 3.37Å; L325-I329 PolarHBondContact O-N 3.26Å; E326-I329 PolarHBondContact O-N 2.92Å; I327-I329 VanDerWaalsContact C-N 3.34Å; I327-I329 PolarHBondContact O-N 3.04Å; I329-C332 WeakPolarHBondContact O-CB 3.19Å; I329-C332 PolarHBondContact O-N 3.4Å; I329-H333 WeakPolarHBondContact CG2-CE1 3.46Å; I329-H333 PolarHBondContact O-N 2.8Å; I329-H333 PolarHBondContact O-ND1 3.3Å; I329-L497 HydrophobicContact CD1-CB 4.45Å; I329-L497 HydrophobicContact CG1-CB 3.8Å; I329-L497 HydrophobicContact CG1-CD1 4.16Å; I329-L497 HydrophobicContact CG1-CG 4.44Å; I329-R501 HydrophobicContact CD1-CB 4.09Å; I329-R501 HydrophobicContact CD1-CG 4.22Å
330	D	98.8	Very high	97.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62	-46.8	176.3	-84.1	-23	0	0	0	112.3	N281 E326 I327 C332 H333 G334 R363 A364	N281-D330 WeakPolarHBondContact CB-O 3.49Å; N281-D330 WeakPolarHBondContact ND2-CB 3.4Å; N281-D330 PolarHBondContact ND2-OD1 3.29Å; E326-D330 WeakPolarHBondContact O-CB 3.4Å; E326-D330 PolarHBondContact O-N 3.27Å; I327-D330 PolarHBondContact O-N 3.01Å; D330-C332 VanDerWaalsContact C-N 3.31Å; D330-C332 PolarHBondContact O-N 2.99Å; D330-H333 PolarHBondContact O-N 3.36Å; D330-G334 PolarHBondContact O-N 3.49Å; D330-R363 IonicContact OD1-CZ 3.9Å; D330-R363 IonicContact OD1-NE 2.79Å; D330-R363 PolarHBondContact OD1-NE 3.35Å; D330-R363 IonicContact OD1-NH2 2.7Å; D330-R363 PolarHBondContact OD1-NH2 3.03Å; D330-R363 WeakPolarHBondContact OD2-CA 3.5Å; D330-R363 WeakPolarHBondContact OD2-CB 3.43Å; D330-R363 IonicContact OD2-CZ 3.2Å; D330-R363 IonicContact OD2-NE 4Å; D330-R363 PolarHBondContact OD2-NE 3.31Å; D330-R363 IonicContact OD2-NH2 2.73Å; D330-A364 HydrophobicContact CB-CB 3.65Å; D330-A364 PolarHBondContact OD2-N 2.9Å
331	V	98.8	Very high	97.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63	-40.6	175.1	177	0	0	0	0	110.6	I327 G334 L335 I356 A364 V366 F414 L417	I327-V331 WeakPolarHBondContact O-CG2 3.31Å; I327-V331 PolarHBondContact O-N 2.88Å; V331-G334 PolarHBondContact O-N 2.92Å; V331-L335 HydrophobicContact CG1-CD1 4.22Å; V331-L335 PolarHBondContact O-N 2.88Å; V331-I356 HydrophobicContact CG1-CD1 4.02Å; V331-I356 HydrophobicContact CG2-CD1 3.7Å; V331-I356 HydrophobicContact CG2-CG1 3.95Å; V331-I356 HydrophobicContact CG2-CG2 3.72Å; V331-A364 HydrophobicContact CG2-CB 4.02Å; V331-V366 HydrophobicContact CG1-CG2 4.21Å; V331-F414 HydrophobicContact CB-CE2 4.21Å; V331-F414 HydrophobicContact CG1-CD2 3.86Å; V331-F414 HydrophobicContact CG1-CE2 3.99Å; V331-L417 HydrophobicContact CG1-CD2 4.16Å
332	C	98.8	Very high	97	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.007	13%	0.126	C	C	.	.	H	α-helix	trans	-56.5	-53.6	174.2	-175.6	0	0	0	0	111.2	V328 I329 D330 G334 L335 T336 F414 M490 G494 L497	V328-C332 VanDerWaalsContact O-CB 3.32Å; V328-C332 WeakPolarHBondContact O-CB 3.43Å; V328-C332 PolarHBondContact O-N 2.9Å; I329-C332 WeakPolarHBondContact O-CB 3.19Å; I329-C332 PolarHBondContact O-N 3.4Å; D330-C332 VanDerWaalsContact C-N 3.31Å; D330-C332 PolarHBondContact O-N 2.99Å; C332-G334 VanDerWaalsContact C-N 3.31Å; C332-G334 PolarHBondContact O-N 3.31Å; C332-L335 PolarHBondContact O-N 2.89Å; C332-L335 VanDerWaalsContact O-N 3.13Å; C332-T336 PolarHBondContact O-N 2.84Å; C332-T336 PolarHBondContact O-OG1 3.39Å; C332-F414 HydrophobicContact CB-CE2 4.13Å; C332-F414 HydrophobicContact CB-CZ 4.06Å; C332-M490 HydrophobicContact CB-CE 4.03Å; C332-M490 VanDerWaalsContact SG-CE 3.57Å; C332-M490 PolarHBondContact SG-O 2.85Å; C332-M490 VanDerWaalsContact SG-O 3.4Å; C332-G494 VanDerWaalsContact SG-CA 3.54Å; C332-G494 PolarHBondContact SG-N 3.11Å; C332-G494 VanDerWaalsContact SG-N 3.45Å; C332-L497 HydrophobicContact CB-CD1 3.66Å
333	H	98.5	Very high	96.7	Very high	80 Å²	80	30.1 Å²	30.1	37%	0.37	15%	0.145	S	C	.	.	H	α-helix	trans	-60.2	-38.2	178.4	-66	152.7	0	0	0	113	I329 D330 Y337	I329-H333 WeakPolarHBondContact CG2-CE1 3.46Å; I329-H333 PolarHBondContact O-N 2.8Å; I329-H333 PolarHBondContact O-ND1 3.3Å; D330-H333 PolarHBondContact O-N 3.36Å; H333-Y337 WeakPolarHBondContact O-CB 3.37Å; H333-Y337 PolarHBondContact O-N 3.34Å
334	G	98.4	Very high	96.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.3	-46.5	173.4	0	0	0	0	0	112.3	D330 V331 C332 L338	D330-G334 PolarHBondContact O-N 3.49Å; V331-G334 PolarHBondContact O-N 2.92Å; C332-G334 VanDerWaalsContact C-N 3.31Å; C332-G334 PolarHBondContact O-N 3.31Å; G334-L338 WeakPolarHBondContact O-CG 3.4Å; G334-L338 PolarHBondContact O-N 3.34Å
335	L	98.6	Very high	96.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-69.9	-42.8	177.2	-73.2	175	0	0	0	113.1	V331 C332 Y337 L338 H339 I351 D410 F414 M490	V331-L335 HydrophobicContact CG1-CD1 4.22Å; V331-L335 PolarHBondContact O-N 2.88Å; C332-L335 PolarHBondContact O-N 2.89Å; C332-L335 VanDerWaalsContact O-N 3.13Å; L335-Y337 PolarHBondContact O-N 3.35Å; L335-L338 HydrophobicContact CD2-CD1 4.42Å; L335-L338 PolarHBondContact O-N 2.98Å; L335-L338 VanDerWaalsContact O-N 3.12Å; L335-H339 WeakPolarHBondContact O-CB 3.35Å; L335-H339 PolarHBondContact O-CD2 2.93Å; L335-H339 VanDerWaalsContact O-CG 3.24Å; L335-H339 PolarHBondContact O-N 2.99Å; L335-I351 HydrophobicContact CD1-CD1 4.48Å; L335-I351 HydrophobicContact CD1-CG1 4.31Å; L335-I351 HydrophobicContact CD2-CD1 3.73Å; L335-I351 HydrophobicContact CD2-CG1 3.94Å; L335-I351 HydrophobicContact CG-CD1 4.4Å; L335-D410 HydrophobicContact CD2-CB 4.23Å; L335-F414 HydrophobicContact CD1-CB 4.02Å; L335-F414 HydrophobicContact CD1-CD2 3.84Å; L335-F414 HydrophobicContact CD1-CG 4.24Å; L335-M490 HydrophobicContact CB-CE 4.02Å; L335-M490 HydrophobicContact CB-CG 3.96Å; L335-M490 HydrophobicContact CB-SD 4.46Å; L335-M490 HydrophobicContact CD1-CE 3.94Å; L335-M490 HydrophobicContact CD1-SD 4.26Å
336	T	98.4	Very high	96.1	Very high	12 Å²	12	38.1 Å²	38.1	7%	0.074	18%	0.176	C	C	.	.	H	α-helix	trans	-57.6	-39.8	175.2	-44.7	0	0	0	0	111.1	C332 H339 S340 Y341 M490 E491	C332-T336 PolarHBondContact O-N 2.84Å; C332-T336 PolarHBondContact O-OG1 3.39Å; T336-H339 PolarHBondContact O-N 3.31Å; T336-S340 WeakPolarHBondContact O-CB 3.36Å; T336-S340 PolarHBondContact O-N 3.32Å; T336-Y341 HydrophobicContact CG2-CD2 4.4Å; T336-Y341 HydrophobicContact CG2-CE2 3.97Å; T336-M490 PolarHBondContact OG1-O 2.87Å; T336-E491 HydrophobicContact CG2-CB 4.08Å; T336-E491 HydrophobicContact CG2-CG 4.46Å
337	Y	98.2	Very high	96.1	Very high	44 Å²	44	37.1 Å²	37.1	17%	0.173	17%	0.171	C	C	.	.	I	π-helix	trans	-60.8	-50	173.5	173.3	-91.4	0	0	0	112.1	I277 G278 H279 L282 H333 L335 H339 Y341 A342	I277-Y337 HydrophobicContact CB-CE1 3.95Å; I277-Y337 HydrophobicContact CG2-CE1 4.03Å; G278-Y337 PolarHBondContact N-OH 2.85Å; H279-Y337 HydrophobicContact CB-CD1 3.88Å; H279-Y337 HydrophobicContact CB-CD2 4.23Å; H279-Y337 HydrophobicContact CB-CE1 4.08Å; H279-Y337 HydrophobicContact CB-CE2 4.43Å; H279-Y337 HydrophobicContact CB-CG 3.94Å; H279-Y337 AromaticContact CG-CG 3.98Å; L282-Y337 HydrophobicContact CD1-CD1 3.66Å; L282-Y337 HydrophobicContact CD1-CE1 4Å; H333-Y337 WeakPolarHBondContact O-CB 3.37Å; H333-Y337 PolarHBondContact O-N 3.34Å; L335-Y337 PolarHBondContact O-N 3.35Å; Y337-H339 VanDerWaalsContact C-N 3.31Å; Y337-H339 PolarHBondContact O-N 2.68Å; Y337-Y341 CarbonylContact O-C 3.59Å; Y337-Y341 PolarHBondContact O-N 3.37Å; Y337-A342 HydrophobicContact CE1-CB 4.37Å; Y337-A342 PolarHBondContact O-N 3.32Å
338	L	97.2	Very high	96	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.171	C	C	.	.	I	π-helix	trans	-61.8	-37.5	178.5	-67.2	172.6	0	0	0	112.5	I277 L282 G334 L335 I346 H348 F369	I277-L338 HydrophobicContact CD1-CD2 4.37Å; I277-L338 HydrophobicContact CG2-CD2 3.96Å; L282-L338 HydrophobicContact CD1-CD1 4.45Å; L282-L338 HydrophobicContact CD1-CD2 3.79Å; L282-L338 HydrophobicContact CD1-CG 3.99Å; L282-L338 HydrophobicContact CD2-CD1 4.09Å; L282-L338 HydrophobicContact CD2-CG 4.38Å; G334-L338 WeakPolarHBondContact O-CG 3.4Å; G334-L338 PolarHBondContact O-N 3.34Å; L335-L338 HydrophobicContact CD2-CD1 4.42Å; L335-L338 PolarHBondContact O-N 2.98Å; L335-L338 VanDerWaalsContact O-N 3.12Å; L338-I346 HydrophobicContact CB-CB 4.25Å; L338-I346 HydrophobicContact CD2-CB 4.01Å; L338-I346 HydrophobicContact CD2-CD1 4.04Å; L338-I346 HydrophobicContact CD2-CG2 4.12Å; L338-I346 PolarHBondContact O-N 3.09Å; L338-H348 HydrophobicContact CD1-CB 4.5Å; L338-F369 HydrophobicContact CD1-CE1 3.79Å; L338-F369 HydrophobicContact CD1-CZ 4.2Å; L338-F369 HydrophobicContact CD2-CE1 3.9Å; L338-F369 HydrophobicContact CD2-CZ 4.49Å
339	H	96.8	Very high	95.9	Very high	13 Å²	13	37.6 Å²	37.6	6%	0.06	17%	0.173	C	C	.	.	I	π-helix	trans	-79.9	-34.9	-174.9	-66.4	178.4	0	0	0	113.9	L335 T336 Y337 Q345 I346 A407 D410 M490	L335-H339 WeakPolarHBondContact O-CB 3.35Å; L335-H339 PolarHBondContact O-CD2 2.93Å; L335-H339 VanDerWaalsContact O-CG 3.24Å; L335-H339 PolarHBondContact O-N 2.99Å; T336-H339 PolarHBondContact O-N 3.31Å; Y337-H339 VanDerWaalsContact C-N 3.31Å; Y337-H339 PolarHBondContact O-N 2.68Å; H339-Q345 PolarHBondContact O-NE2 3.02Å; H339-I346 PolarHBondContact CD2-O 2.96Å; H339-A407 HydrophobicContact CB-CB 4.42Å; H339-A407 PolarHBondContact CE1-O 2.9Å; H339-D410 IonicContact CD2-OD2 2.7Å; H339-D410 IonicContact CE1-OD2 3.75Å; H339-D410 IonicContact NE2-OD2 2.78Å; H339-D410 PolarHBondContact NE2-OD2 2.81Å; H339-M490 VanDerWaalsContact ND1-CG 3.32Å; H339-M490 WeakPolarHBondContact ND1-CG 3.25Å
340	S	94.4	Very high	95.7	Very high	67 Å²	67	37.1 Å²	37.1	47%	0.469	17%	0.171	S	C	.	.	I	π-helix	trans	-128.7	-18.6	-165.6	-54	0	0	0	0	116	T336	T336-S340 WeakPolarHBondContact O-CB 3.36Å; T336-S340 PolarHBondContact O-N 3.32Å
341	Y	93.8	Very high	95.7	Very high	153 Å²	153	37.1 Å²	37.1	60%	0.6	17%	0.171	S	C	*	.	I	π-helix	trans	-126.9	-7.4	-171	-60.6	-67.1	0	0	0	115.4	T336 Y337	T336-Y341 HydrophobicContact CG2-CD2 4.4Å; T336-Y341 HydrophobicContact CG2-CE2 3.97Å; Y337-Y341 CarbonylContact O-C 3.59Å; Y337-Y341 PolarHBondContact O-N 3.37Å
342	A	90.4	Very high	95.7	Very high	16 Å²	16	38.4 Å²	38.4	13%	0.132	18%	0.176	C	C	.	.	S	Bend	trans	-70	154.3	166.5	0	0	0	0	0	110.7	Y337 R344 I346	Y337-A342 HydrophobicContact CE1-CB 4.37Å; Y337-A342 PolarHBondContact O-N 3.32Å; A342-R344 VanDerWaalsContact CB-O 3.28Å; A342-R344 WeakPolarHBondContact CB-O 3.49Å; A342-R344 PolarHBondContact O-N 2.91Å; A342-I346 HydrophobicContact CB-CD1 4.13Å; A342-I346 HydrophobicContact CB-CG1 4.41Å
343	E	86.9	Confident	95.6	Very high	147 Å²	147	38.5 Å²	38.5	69%	0.687	18%	0.177	S	C	*	.	S	Bend	trans	-48.7	-36.2	-179.4	-171.9	-150.7	146.6	0	0	112.9
344	R	88.7	Confident	95.5	Very high	153 Å²	153	37 Å²	37	58%	0.577	18%	0.176	S	C	*	.	S	Bend	trans	-132.6	151.2	164.9	-62.7	-178.4	178.4	-122.8	-3.4	107.3	A342 I346	A342-R344 VanDerWaalsContact CB-O 3.28Å; A342-R344 WeakPolarHBondContact CB-O 3.49Å; A342-R344 PolarHBondContact O-N 2.91Å; R344-I346 PolarHBondContact O-N 2.94Å
345	Q	93.8	Very high	95.5	Very high	73 Å²	73	37.6 Å²	37.6	34%	0.341	18%	0.178	S	C	.	.			trans	-52	138.3	171.2	175.5	166.2	106.3	0	0	110.3	H339 I347 G374 G375	H339-Q345 PolarHBondContact O-NE2 3.02Å; Q345-I347 HydrophobicContact CG-CG1 4.48Å; Q345-G374 CarbonylContact O-C 3.53Å; Q345-G374 WeakPolarHBondContact O-CA 3.33Å; Q345-G375 PolarHBondContact O-N 3.43Å
346	I	95.1	Very high	95.5	Very high	7 Å²	7	37.6 Å²	37.6	4%	0.036	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.7	174.9	-59.3	173	0	0	0	107.9	L273 I277 L338 H339 A342 R344 A372 R373	L273-I346 HydrophobicContact CD1-CG2 4.42Å; L273-I346 HydrophobicContact CD2-CD1 3.94Å; L273-I346 HydrophobicContact CD2-CG1 3.95Å; L273-I346 HydrophobicContact CD2-CG2 4.28Å; I277-I346 HydrophobicContact CG2-CD1 3.49Å; I277-I346 VanDerWaalsContact CG2-CD1 3.49Å; L338-I346 HydrophobicContact CB-CB 4.25Å; L338-I346 HydrophobicContact CD2-CB 4.01Å; L338-I346 HydrophobicContact CD2-CD1 4.04Å; L338-I346 HydrophobicContact CD2-CG2 4.12Å; L338-I346 PolarHBondContact O-N 3.09Å; H339-I346 PolarHBondContact CD2-O 2.96Å; A342-I346 HydrophobicContact CB-CD1 4.13Å; A342-I346 HydrophobicContact CB-CG1 4.41Å; R344-I346 PolarHBondContact O-N 2.94Å; I346-A372 HydrophobicContact CG2-CB 4.35Å; I346-R373 WeakPolarHBondContact CA-O 3.26Å
347	I	96.3	Very high	95.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.4	175.4	-53.9	166.5	0	0	0	107	Q345 A372 R373 I384 L405 T406 D410	Q345-I347 HydrophobicContact CG-CG1 4.48Å; I347-A372 CarbonylContact O-C 3.52Å; I347-A372 VanDerWaalsContact O-CA 3.23Å; I347-A372 WeakPolarHBondContact O-CA 3.34Å; I347-R373 PolarHBondContact N-O 3.01Å; I347-R373 PolarHBondContact O-N 3.14Å; I347-I384 HydrophobicContact CD1-CD1 3.84Å; I347-L405 HydrophobicContact CB-CD2 4.49Å; I347-L405 HydrophobicContact CD1-CG 4.11Å; I347-L405 HydrophobicContact CG2-CD1 3.81Å; I347-L405 HydrophobicContact CG2-CD2 4.23Å; I347-L405 HydrophobicContact CG2-CG 3.96Å; I347-T406 VanDerWaalsContact CD1-C 3.5Å; I347-D410 WeakPolarHBondContact CA-OD2 3.26Å
348	H	96.4	Very high	95.4	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	18%	0.175	C	C	.	.			trans	-77.2	-36.4	-172.6	-170.7	-51.4	0	0	0	112.7	L338 D350 I351 V366 A367 D368 F369 D410	L338-H348 HydrophobicContact CD1-CB 4.5Å; H348-D350 PolarHBondContact O-N 3.01Å; H348-I351 HydrophobicContact CB-CD1 3.87Å; H348-I351 HydrophobicContact CB-CG1 4.15Å; H348-V366 VanDerWaalsContact CD2-CG1 3.44Å; H348-V366 WeakPolarHBondContact CD2-CG1 3.26Å; H348-V366 VanDerWaalsContact NE2-CG1 3.29Å; H348-V366 WeakPolarHBondContact NE2-CG1 3.18Å; H348-A367 PolarHBondContact CE1-O 3.23Å; H348-A367 PolarHBondContact NE2-O 3.21Å; H348-D368 PolarHBondContact CE1-O 3.35Å; H348-F369 AromaticContact CD2-CE1 3.91Å; H348-D410 PolarHBondContact N-OD1 3.48Å; H348-D410 PolarHBondContact N-OD2 3.23Å
349	R	96.3	Very high	95.4	Very high	11 Å²	11	37.9 Å²	37.9	4%	0.042	18%	0.184	C	C	.	.			trans	67.7	-2.3	170.9	-167.5	-175.5	178.9	-167.4	5.2	116.8	F371 Q387 K389 Y399 L405 D410	R349-F371 HydrophobicContact CB-CB 4.37Å; R349-F371 WeakPolarHBondContact CD-O 3.29Å; R349-F371 PolarHBondContact NH1-O 2.99Å; R349-Q387 PolarHBondContact NH2-O 3.47Å; R349-K389 WeakPolarHBondContact CG-O 3.26Å; R349-Y399 HydrophobicContact CG-CE1 4.21Å; R349-Y399 PolarHBondContact NE-OH 3.33Å; R349-Y399 PolarHBondContact NH2-OH 2.83Å; R349-Y399 VanDerWaalsContact NH2-OH 3.14Å; R349-L405 HydrophobicContact CB-CD1 4.38Å; R349-L405 HydrophobicContact CG-CD1 3.92Å; R349-L405 HydrophobicContact CG-CD2 4.2Å; R349-D410 WeakPolarHBondContact CA-OD1 3.23Å; R349-D410 PolarHBondContact N-OD1 3.16Å
350	D	96.1	Very high	95.2	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.011	21%	0.205	C	C	.	.			trans	-147.4	45.6	-178.4	-158.9	33.2	0	0	0	112.9	H348 K352 N355 F371 T391	H348-D350 PolarHBondContact O-N 3.01Å; D350-K352 PolarHBondContact O-N 3.27Å; D350-K352 IonicContact OD1-NZ 3.68Å; D350-K352 WeakPolarHBondContact OD2-CE 3.36Å; D350-K352 IonicContact OD2-NZ 2.61Å; D350-K352 PolarHBondContact OD2-NZ 3.2Å; D350-N355 PolarHBondContact O-ND2 3.2Å; D350-F371 HydrophobicContact CB-CB 4.4Å; D350-F371 HydrophobicContact CB-CD2 3.69Å; D350-F371 WeakPolarHBondContact OD2-CD2 3.31Å; D350-T391 VanDerWaalsContact OD1-CB 3.28Å; D350-T391 WeakPolarHBondContact OD1-CB 3.49Å; D350-T391 PolarHBondContact OD1-N 3.36Å; D350-T391 PolarHBondContact OD1-OG1 3.19Å
351	I	98.5	Very high	95.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.			trans	-71.1	117	173.7	-61.6	-61	0	0	0	109.7	L335 H348 V366 Y394 L417	L335-I351 HydrophobicContact CD1-CD1 4.48Å; L335-I351 HydrophobicContact CD1-CG1 4.31Å; L335-I351 HydrophobicContact CD2-CD1 3.73Å; L335-I351 HydrophobicContact CD2-CG1 3.94Å; L335-I351 HydrophobicContact CG-CD1 4.4Å; H348-I351 HydrophobicContact CB-CD1 3.87Å; H348-I351 HydrophobicContact CB-CG1 4.15Å; I351-V366 HydrophobicContact CD1-CG1 3.6Å; I351-Y394 VanDerWaalsContact O-CD1 3.3Å; I351-Y394 WeakPolarHBondContact O-CD1 3.47Å; I351-L417 HydrophobicContact CG2-CD2 3.73Å
352	K	97.9	Very high	95.2	Very high	27 Å²	27	37.2 Å²	37.2	12%	0.117	19%	0.191	C	C	.	.			trans	-160.4	159.1	-177.2	64.4	-163.7	-170.2	-157.6	0	110.6	D350 S354 N355 I356 T391 Y394	D350-K352 PolarHBondContact O-N 3.27Å; D350-K352 IonicContact OD1-NZ 3.68Å; D350-K352 WeakPolarHBondContact OD2-CE 3.36Å; D350-K352 IonicContact OD2-NZ 2.61Å; D350-K352 PolarHBondContact OD2-NZ 3.2Å; K352-S354 VanDerWaalsContact C-N 3.27Å; K352-S354 WeakPolarHBondContact CE-OG 3.11Å; K352-S354 WeakPolarHBondContact CG-OG 3.25Å; K352-S354 PolarHBondContact O-N 3.24Å; K352-N355 VanDerWaalsContact CE-CG 3.43Å; K352-N355 WeakPolarHBondContact CE-ND2 3.5Å; K352-N355 WeakPolarHBondContact CE-OD1 3.37Å; K352-N355 HydrophobicContact CG-CB 3.95Å; K352-N355 PolarHBondContact O-N 3.41Å; K352-I356 PolarHBondContact O-N 2.85Å; K352-T391 HydrophobicContact CD-CG2 4.04Å; K352-T391 WeakPolarHBondContact CD-OG1 3.45Å; K352-T391 WeakPolarHBondContact CE-OG1 3.44Å; K352-T391 PolarHBondContact NZ-OG1 3.34Å; K352-Y394 HydrophobicContact CB-CD1 3.99Å; K352-Y394 HydrophobicContact CB-CD2 3.86Å; K352-Y394 HydrophobicContact CB-CE1 3.69Å; K352-Y394 HydrophobicContact CB-CE2 3.55Å; K352-Y394 HydrophobicContact CB-CG 4.06Å; K352-Y394 VanDerWaalsContact CB-CZ 3.43Å
353	S	97.8	Very high	95.6	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.014	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-60.7	-26.2	-176	46	0	0	0	0	115.5	L307 R308 N355 Y394 E420	L307-S353 WeakPolarHBondContact CB-O 3.2Å; L307-S353 PolarHBondContact N-O 3.49Å; R308-S353 WeakPolarHBondContact CD-OG 2.98Å; R308-S353 PolarHBondContact N-O 3.26Å; S353-N355 VanDerWaalsContact C-N 3.28Å; S353-N355 PolarHBondContact O-N 3.27Å; S353-Y394 PolarHBondContact OG-OH 3.01Å; S353-E420 WeakPolarHBondContact CB-OE2 3.46Å; S353-E420 PolarHBondContact OG-OE1 3.44Å; S353-E420 PolarHBondContact OG-OE2 3.48Å
354	S	96	Very high	96.1	Very high	50 Å²	50	33.8 Å²	33.8	35%	0.35	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-73.1	-20.3	173.1	66.6	0	0	0	0	113.6	T306 K352	T306-S354 WeakPolarHBondContact CG2-O 3.32Å; K352-S354 VanDerWaalsContact C-N 3.27Å; K352-S354 WeakPolarHBondContact CE-OG 3.11Å; K352-S354 WeakPolarHBondContact CG-OG 3.25Å; K352-S354 PolarHBondContact O-N 3.24Å
355	N	97.3	Very high	96.6	Very high	11 Å²	11	27.6 Å²	27.6	6%	0.059	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-100.4	5.5	-178.8	-70.4	20.4	0	0	0	112	D350 K352 S353 A367 D368	D350-N355 PolarHBondContact O-ND2 3.2Å; K352-N355 VanDerWaalsContact CE-CG 3.43Å; K352-N355 WeakPolarHBondContact CE-ND2 3.5Å; K352-N355 WeakPolarHBondContact CE-OD1 3.37Å; K352-N355 HydrophobicContact CG-CB 3.95Å; K352-N355 PolarHBondContact O-N 3.41Å; S353-N355 VanDerWaalsContact C-N 3.28Å; S353-N355 PolarHBondContact O-N 3.27Å; N355-A367 WeakPolarHBondContact O-CB 3.29Å; N355-A367 PolarHBondContact O-N 2.64Å; N355-D368 PolarHBondContact ND2-OD2 2.86Å
356	I	98.3	Very high	96.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	116.8	168.3	-52.9	-47.6	0	0	0	107.9	T306 L307 V331 K352 L358 A364 V366 L417	T306-I356 CarbonylContact C-O 3.56Å; T306-I356 WeakPolarHBondContact CA-O 3.37Å; L307-I356 HydrophobicContact CB-CB 3.93Å; L307-I356 HydrophobicContact CB-CG2 4.17Å; L307-I356 HydrophobicContact CD2-CB 4.02Å; L307-I356 HydrophobicContact CD2-CG1 4.29Å; L307-I356 HydrophobicContact CD2-CG2 4.04Å; L307-I356 PolarHBondContact N-O 2.7Å; V331-I356 HydrophobicContact CG1-CD1 4.02Å; V331-I356 HydrophobicContact CG2-CD1 3.7Å; V331-I356 HydrophobicContact CG2-CG1 3.95Å; V331-I356 HydrophobicContact CG2-CG2 3.72Å; K352-I356 PolarHBondContact O-N 2.85Å; I356-L358 HydrophobicContact CG2-CD2 4.49Å; I356-A364 HydrophobicContact CG2-CB 3.69Å; I356-V366 HydrophobicContact CD1-CB 4.33Å; I356-V366 HydrophobicContact CD1-CG1 4.08Å; I356-V366 HydrophobicContact CD1-CG2 4.04Å; I356-L417 HydrophobicContact CD1-CD2 4.28Å; I356-L417 HydrophobicContact CG1-CD2 3.89Å
357	L	97.8	Very high	96.9	Very high	35 Å²	35	24.2 Å²	24.2	18%	0.183	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	146.1	177.9	-54.8	-177.9	0	0	0	111.3	V283 V302 G305 T306 A364 K365 A367	V283-L357 HydrophobicContact CG2-CD1 3.98Å; V302-L357 HydrophobicContact CB-CB 3.77Å; V302-L357 HydrophobicContact CB-CD1 3.92Å; V302-L357 HydrophobicContact CB-CG 4.5Å; V302-L357 HydrophobicContact CG1-CB 3.5Å; V302-L357 HydrophobicContact CG2-CB 4.29Å; V302-L357 HydrophobicContact CG2-CD1 4.13Å; G305-L357 CarbonylContact O-C 3.57Å; G305-L357 VanDerWaalsContact O-CA 3.26Å; G305-L357 WeakPolarHBondContact O-CA 3.29Å; T306-L357 HydrophobicContact CG2-CD2 3.94Å; L357-A364 WeakPolarHBondContact O-CA 3.41Å; L357-K365 PolarHBondContact N-O 3.27Å; L357-K365 PolarHBondContact O-N 2.99Å; L357-A367 HydrophobicContact CD1-CB 3.82Å; L357-A367 HydrophobicContact CG-CB 3.87Å
358	L	97.6	Very high	96.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.1	-178.4	-56.9	-171.2	0	0	0	112.6	V302 N304 G305 L307 L319 I327 I356 M362 R363 A364	V302-L358 WeakPolarHBondContact CG1-O 3.29Å; N304-L358 WeakPolarHBondContact CA-O 3.44Å; N304-L358 HydrophobicContact CB-CB 4.03Å; N304-L358 VanDerWaalsContact CB-O 3.29Å; N304-L358 WeakPolarHBondContact CB-O 3.49Å; N304-L358 PolarHBondContact N-O 2.72Å; N304-L358 VanDerWaalsContact N-O 3.09Å; G305-L358 PolarHBondContact O-N 2.94Å; L307-L358 HydrophobicContact CD1-CD1 4.47Å; L319-L358 HydrophobicContact CD2-CD1 4.38Å; I327-L358 HydrophobicContact CD1-CD1 3.93Å; I327-L358 HydrophobicContact CD1-CD2 3.84Å; I327-L358 HydrophobicContact CG1-CD2 3.93Å; I356-L358 HydrophobicContact CG2-CD2 4.49Å; L358-M362 HydrophobicContact CD1-CE 3.66Å; L358-R363 WeakPolarHBondContact CA-O 3.36Å; L358-A364 HydrophobicContact CD2-CB 4.01Å
359	T	96.3	Very high	96.3	Very high	28 Å²	28	26.1 Å²	26.1	17%	0.172	14%	0.142	C	C	.	.			trans	-72	170.6	175.3	64.6	0	0	0	0	112.1	N304 S361 M362 R363 K365	N304-T359 PolarHBondContact ND2-O 2.85Å; T359-S361 PolarHBondContact O-N 2.95Å; T359-S361 VanDerWaalsContact O-N 3.16Å; T359-S361 PolarHBondContact OG1-N 3.47Å; T359-S361 PolarHBondContact OG1-OG 3.12Å; T359-M362 WeakPolarHBondContact O-CA 3.44Å; T359-M362 PolarHBondContact O-N 2.67Å; T359-R363 HydrophobicContact CG2-CB 4.49Å; T359-R363 PolarHBondContact N-O 3.45Å; T359-R363 WeakPolarHBondContact OG1-CB 3.02Å; T359-R363 PolarHBondContact OG1-N 3.19Å; T359-R363 PolarHBondContact OG1-O 3.21Å; T359-K365 HydrophobicContact CG2-CD 4.05Å; T359-K365 HydrophobicContact CG2-CG 4.46Å
360	D	93.7	Very high	95.9	Very high	97 Å²	97	25.7 Å²	25.7	52%	0.519	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-33.9	170.6	-70.7	-20.1	0	0	0	112.6	R303 N304 M362	R303-D360 VanDerWaalsContact CB-OD1 3.25Å; R303-D360 WeakPolarHBondContact CB-OD1 3.37Å; R303-D360 VanDerWaalsContact CD-CG 3.48Å; R303-D360 WeakPolarHBondContact CD-OD1 3.5Å; R303-D360 WeakPolarHBondContact CD-OD2 3.3Å; R303-D360 IonicContact CZ-OD2 3.08Å; R303-D360 IonicContact NE-OD2 3.87Å; R303-D360 IonicContact NH1-OD1 3.01Å; R303-D360 IonicContact NH1-OD2 3.86Å; R303-D360 PolarHBondContact NH1-OD2 3.48Å; N304-D360 WeakPolarHBondContact ND2-CA 3.44Å; D360-M362 VanDerWaalsContact C-N 3.28Å; D360-M362 PolarHBondContact O-N 3.19Å
361	S	94.7	Very high	95.5	Very high	87 Å²	87	27.6 Å²	27.6	61%	0.608	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	14	176.5	55.7	0	0	0	0	114.6	T359 R363	T359-S361 PolarHBondContact O-N 2.95Å; T359-S361 VanDerWaalsContact O-N 3.16Å; T359-S361 PolarHBondContact OG1-N 3.47Å; T359-S361 PolarHBondContact OG1-OG 3.12Å; S361-R363 PolarHBondContact O-N 2.72Å
362	M	94.4	Very high	95.2	Very high	34 Å²	34	27.6 Å²	27.6	17%	0.167	15%	0.149	C	C	.	.	S	Bend	trans	55.7	33.9	-178.2	-59.7	-59.5	-69.3	0	0	114	N304 L319 L358 T359 D360	N304-M362 HydrophobicContact CB-SD 4.29Å; N304-M362 PolarHBondContact ND2-SD 2.89Å; L319-M362 HydrophobicContact CD2-CE 3.36Å; L358-M362 HydrophobicContact CD1-CE 3.66Å; T359-M362 WeakPolarHBondContact O-CA 3.44Å; T359-M362 PolarHBondContact O-N 2.67Å; D360-M362 VanDerWaalsContact C-N 3.28Å; D360-M362 PolarHBondContact O-N 3.19Å
363	R	97.4	Very high	94.9	Very high	91 Å²	91	29.3 Å²	29.3	34%	0.343	16%	0.155	S	C	.	.			trans	-98.8	148.8	173.8	-58.1	-59.2	-63.6	-109.8	0.8	110.3	E326 D330 L358 T359 S361	E326-R363 IonicContact OE2-CZ 2.77Å; E326-R363 IonicContact OE2-NH1 3.21Å; E326-R363 IonicContact OE2-NH2 2.71Å; D330-R363 IonicContact OD1-CZ 3.9Å; D330-R363 IonicContact OD1-NE 2.79Å; D330-R363 PolarHBondContact OD1-NE 3.35Å; D330-R363 IonicContact OD1-NH2 2.7Å; D330-R363 PolarHBondContact OD1-NH2 3.03Å; D330-R363 WeakPolarHBondContact OD2-CA 3.5Å; D330-R363 WeakPolarHBondContact OD2-CB 3.43Å; D330-R363 IonicContact OD2-CZ 3.2Å; D330-R363 IonicContact OD2-NE 4Å; D330-R363 PolarHBondContact OD2-NE 3.31Å; D330-R363 IonicContact OD2-NH2 2.73Å; L358-R363 WeakPolarHBondContact CA-O 3.36Å; T359-R363 HydrophobicContact CG2-CB 4.49Å; T359-R363 PolarHBondContact N-O 3.45Å; T359-R363 WeakPolarHBondContact OG1-CB 3.02Å; T359-R363 PolarHBondContact OG1-N 3.19Å; T359-R363 PolarHBondContact OG1-O 3.21Å; S361-R363 PolarHBondContact O-N 2.72Å
364	A	98.5	Very high	94.6	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.008	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	141.5	-173	0	0	0	0	0	113.6	N281 I327 D330 V331 I356 L357 L358	N281-A364 WeakPolarHBondContact CA-O 3.39Å; N281-A364 PolarHBondContact ND2-O 2.75Å; I327-A364 HydrophobicContact CB-CB 4.36Å; I327-A364 HydrophobicContact CG1-CB 4.35Å; I327-A364 HydrophobicContact CG2-CB 4.02Å; D330-A364 HydrophobicContact CB-CB 3.65Å; D330-A364 PolarHBondContact OD2-N 2.9Å; V331-A364 HydrophobicContact CG2-CB 4.02Å; I356-A364 HydrophobicContact CG2-CB 3.69Å; L357-A364 WeakPolarHBondContact O-CA 3.41Å; L358-A364 HydrophobicContact CD2-CB 4.01Å
365	K	98.7	Very high	94.1	Very high	22 Å²	22	29.1 Å²	29.1	10%	0.096	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.4	170.1	-78.8	173.1	167.1	-85.3	0	110	R280 N281 L282 V283 E300 V302 L357 T359	R280-K365 WeakPolarHBondContact O-CE 3.49Å; R280-K365 PolarHBondContact O-NZ 3Å; N281-K365 CarbonylContact O-C 3.59Å; N281-K365 VanDerWaalsContact O-CA 3.31Å; N281-K365 WeakPolarHBondContact O-CA 3.32Å; L282-K365 PolarHBondContact O-NZ 3.44Å; V283-K365 HydrophobicContact CG2-CB 4Å; E300-K365 VanDerWaalsContact CD-NZ 3.28Å; E300-K365 IonicContact OE1-NZ 3.82Å; E300-K365 PolarHBondContact OE1-NZ 3.09Å; E300-K365 WeakPolarHBondContact OE2-CE 3.3Å; E300-K365 IonicContact OE2-NZ 3.59Å; E300-K365 PolarHBondContact OE2-NZ 3.19Å; E300-K365 VanDerWaalsContact OE2-NZ 3.14Å; V302-K365 HydrophobicContact CG2-CD 3.84Å; L357-K365 PolarHBondContact N-O 3.27Å; L357-K365 PolarHBondContact O-N 2.99Å; T359-K365 HydrophobicContact CG2-CD 4.05Å; T359-K365 HydrophobicContact CG2-CG 4.46Å
366	V	98.4	Very high	93.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	135.9	171.9	-166.3	0	0	0	0	109.6	N281 L282 V283 V331 H348 I351 I356	N281-V366 PolarHBondContact O-N 3.35Å; L282-V366 HydrophobicContact CD2-CB 3.74Å; L282-V366 HydrophobicContact CD2-CG2 3.99Å; V283-V366 PolarHBondContact N-O 3.03Å; V331-V366 HydrophobicContact CG1-CG2 4.21Å; H348-V366 VanDerWaalsContact CD2-CG1 3.44Å; H348-V366 WeakPolarHBondContact CD2-CG1 3.26Å; H348-V366 VanDerWaalsContact NE2-CG1 3.29Å; H348-V366 WeakPolarHBondContact NE2-CG1 3.18Å; I351-V366 HydrophobicContact CD1-CG1 3.6Å; I356-V366 HydrophobicContact CD1-CB 4.33Å; I356-V366 HydrophobicContact CD1-CG1 4.08Å; I356-V366 HydrophobicContact CD1-CG2 4.04Å
367	A	95.4	Very high	92.4	Very high	9 Å²	9	35 Å²	35	7%	0.074	20%	0.198	C	C	.	.			trans	-135.7	170.4	-171.5	0	0	0	0	0	112.4	V283 H348 N355 L357	V283-A367 HydrophobicContact CB-CB 4.3Å; V283-A367 HydrophobicContact CG2-CB 3.56Å; H348-A367 PolarHBondContact CE1-O 3.23Å; H348-A367 PolarHBondContact NE2-O 3.21Å; N355-A367 WeakPolarHBondContact O-CB 3.29Å; N355-A367 PolarHBondContact O-N 2.64Å; L357-A367 HydrophobicContact CD1-CB 3.82Å; L357-A367 HydrophobicContact CG-CB 3.87Å
368	D	90.5	Very high	91.5	Very high	40 Å²	40	37.2 Å²	37.2	21%	0.214	21%	0.21	C	C	.	.			trans	60.8	83.9	176.7	-174.9	30	0	0	0	114.3	K253 H348 N355 G370	K253-D368 IonicContact NZ-OD1 2.58Å; K253-D368 PolarHBondContact NZ-OD1 2.83Å; H348-D368 PolarHBondContact CE1-O 3.35Å; N355-D368 PolarHBondContact ND2-OD2 2.86Å; D368-G370 VanDerWaalsContact C-N 3.33Å; D368-G370 PolarHBondContact O-N 3.3Å
369	F	91.7	Very high	90.3	Very high	2 Å²	2	43 Å²	43	1%	0.009	25%	0.251	C	S	.	.			trans	-93.3	14.6	-175.5	-74.3	-105.9	0	0	0	112.5	E270 L274 I277 L282 L338 H348 F371 A372	E270-F369 HydrophobicContact CG-CB 3.91Å; E270-F369 PolarHBondContact OE1-N 3.12Å; L274-F369 HydrophobicContact CD2-CB 4.16Å; L274-F369 HydrophobicContact CD2-CD2 3.42Å; L274-F369 VanDerWaalsContact CD2-CD2 3.42Å; L274-F369 HydrophobicContact CD2-CE2 3.83Å; L274-F369 HydrophobicContact CD2-CG 3.81Å; L274-F369 HydrophobicContact CG-CB 4.26Å; L274-F369 HydrophobicContact CG-CD2 4.38Å; L274-F369 HydrophobicContact CG-CG 4.41Å; I277-F369 HydrophobicContact CD1-CD1 4.25Å; I277-F369 HydrophobicContact CD1-CE1 3.63Å; I277-F369 HydrophobicContact CD1-CE2 4.11Å; I277-F369 HydrophobicContact CD1-CZ 3.53Å; L282-F369 HydrophobicContact CD1-CZ 4.46Å; L282-F369 HydrophobicContact CD2-CZ 4.2Å; L338-F369 HydrophobicContact CD1-CE1 3.79Å; L338-F369 HydrophobicContact CD1-CZ 4.2Å; L338-F369 HydrophobicContact CD2-CE1 3.9Å; L338-F369 HydrophobicContact CD2-CZ 4.49Å; H348-F369 AromaticContact CD2-CE1 3.91Å; F369-F371 PolarHBondContact O-N 3.13Å; F369-F371 VanDerWaalsContact O-N 3.14Å; F369-A372 HydrophobicContact CB-CB 4.07Å; F369-A372 HydrophobicContact CD1-CB 3.99Å; F369-A372 HydrophobicContact CG-CB 4.5Å; F369-A372 WeakPolarHBondContact O-CB 3.26Å; F369-A372 PolarHBondContact O-N 2.71Å
370	G	87	Confident	89.5	Confident	2 Å²	2	48.8 Å²	48.8	2%	0.021	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.9	-174.4	0	0	0	0	0	115.1	F236 E270 D368	F236-G370 WeakPolarHBondContact CE1-O 3.44Å; E270-G370 PolarHBondContact OE1-N 3.49Å; E270-G370 WeakPolarHBondContact OE2-CA 3.31Å; D368-G370 VanDerWaalsContact C-N 3.33Å; D368-G370 PolarHBondContact O-N 3.3Å
371	F	88.4	Confident	88.9	Confident	42 Å²	42	48.5 Å²	48.5	18%	0.184	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-8.5	173.7	-68.6	-52.6	0	0	0	114.4	F236 R349 D350 F369 K389	F236-F371 HydrophobicContact CE1-CD1 4.1Å; F236-F371 AromaticContact CE1-CE1 3.9Å; F236-F371 HydrophobicContact CE1-CE1 3.9Å; F236-F371 HydrophobicContact CE1-CZ 4.23Å; F236-F371 HydrophobicContact CE2-CD1 4.45Å; F236-F371 AromaticContact CE2-CD2 3.8Å; F236-F371 HydrophobicContact CE2-CD2 3.8Å; F236-F371 HydrophobicContact CE2-CE1 4.2Å; F236-F371 AromaticContact CE2-CE2 3.57Å; F236-F371 HydrophobicContact CE2-CE2 3.57Å; F236-F371 HydrophobicContact CE2-CG 4.26Å; F236-F371 AromaticContact CE2-CZ 3.78Å; F236-F371 HydrophobicContact CE2-CZ 3.78Å; F236-F371 HydrophobicContact CZ-CB 4.43Å; F236-F371 AromaticContact CZ-CD1 3.46Å; F236-F371 HydrophobicContact CZ-CD1 3.46Å; F236-F371 VanDerWaalsContact CZ-CD1 3.46Å; F236-F371 AromaticContact CZ-CD2 3.57Å; F236-F371 HydrophobicContact CZ-CD2 3.57Å; F236-F371 AromaticContact CZ-CE1 3.34Å; F236-F371 HydrophobicContact CZ-CE1 3.34Å; F236-F371 AromaticContact CZ-CE2 3.52Å; F236-F371 HydrophobicContact CZ-CE2 3.52Å; F236-F371 AromaticContact CZ-CG 3.56Å; F236-F371 HydrophobicContact CZ-CG 3.56Å; F236-F371 AromaticContact CZ-CZ 3.4Å; F236-F371 HydrophobicContact CZ-CZ 3.4Å; R349-F371 HydrophobicContact CB-CB 4.37Å; R349-F371 WeakPolarHBondContact CD-O 3.29Å; R349-F371 PolarHBondContact NH1-O 2.99Å; D350-F371 HydrophobicContact CB-CB 4.4Å; D350-F371 HydrophobicContact CB-CD2 3.69Å; D350-F371 WeakPolarHBondContact OD2-CD2 3.31Å; F369-F371 PolarHBondContact O-N 3.13Å; F369-F371 VanDerWaalsContact O-N 3.14Å; F371-K389 HydrophobicContact CD1-CB 3.62Å; F371-K389 HydrophobicContact CD1-CD 3.71Å; F371-K389 HydrophobicContact CD1-CG 4.24Å; F371-K389 HydrophobicContact CE1-CB 3.86Å; F371-K389 HydrophobicContact CE1-CD 3.8Å; F371-K389 HydrophobicContact CE1-CG 4.26Å; F371-K389 HydrophobicContact CG-CB 4.26Å
372	A	92.5	Very high	88.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.279	C	S	.	.			trans	-65.7	150.5	-169.9	0	0	0	0	0	112.4	L273 I346 I347 F369	L273-A372 HydrophobicContact CD1-CB 3.71Å; I346-A372 HydrophobicContact CG2-CB 4.35Å; I347-A372 CarbonylContact O-C 3.52Å; I347-A372 VanDerWaalsContact O-CA 3.23Å; I347-A372 WeakPolarHBondContact O-CA 3.34Å; F369-A372 HydrophobicContact CB-CB 4.07Å; F369-A372 HydrophobicContact CD1-CB 3.99Å; F369-A372 HydrophobicContact CG-CB 4.5Å; F369-A372 WeakPolarHBondContact O-CB 3.26Å; F369-A372 PolarHBondContact O-N 2.71Å
373	R	91.5	Very high	88.2	Confident	63 Å²	63	50 Å²	50	24%	0.238	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	143.3	179.3	-71.2	-60.2	-169.1	-140.2	6.9	110.8	S269 I346 I347 I384 L405	S269-R373 PolarHBondContact OG-NH1 3.33Å; I346-R373 WeakPolarHBondContact CA-O 3.26Å; I347-R373 PolarHBondContact N-O 3.01Å; I347-R373 PolarHBondContact O-N 3.14Å; R373-I384 HydrophobicContact CB-CD1 4.1Å; R373-L405 HydrophobicContact CB-CD2 4.41Å
374	G	89.9	Confident	87.9	Confident	35 Å²	35	47.3 Å²	47.3	36%	0.361	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	142.5	161.9	0	0	0	0	0	109.8	Q345 I384	Q345-G374 CarbonylContact O-C 3.53Å; Q345-G374 WeakPolarHBondContact O-CA 3.33Å; G374-I384 WeakPolarHBondContact O-CD1 3.48Å
375	G	85.8	Confident	87.5	Confident	13 Å²	13	53.2 Å²	53.2	13%	0.134	30%	0.304	C	S	.	.			trans	-60.9	177.4	176.5	0	0	0	0	0	113.1	Q345 T377	Q345-G375 PolarHBondContact O-N 3.43Å; G375-T377 PolarHBondContact O-N 3.16Å
376	P	83.8	Confident	87.1	Confident	35 Å²	35	53.7 Å²	53.7	23%	0.227	31%	0.308	C	S	.	.			trans	-54.9	135.8	175.2	-19.5	31.2	0	0	0	111.3	Q381 I384	P376-Q381 HydrophobicContact CB-CB 3.61Å; P376-Q381 WeakPolarHBondContact CB-O 3.3Å; P376-Q381 HydrophobicContact CG-CB 4.48Å; P376-Q381 WeakPolarHBondContact CG-O 3.21Å; P376-I384 HydrophobicContact CG-CG1 4.19Å
377	T	77	Confident	86.8	Confident	98 Å²	98	59.9 Å²	59.9	60%	0.601	34%	0.337	S	S	*	.	S	Bend	trans	-79.3	-27.7	-179	50.1	0	0	0	0	113	G375	G375-T377 PolarHBondContact O-N 3.16Å
378	D	77.8	Confident	86.6	Confident	82 Å²	82	61.4 Å²	61.4	44%	0.439	35%	0.346	S	S	.	.	S	Bend	trans	-104.2	133.3	-172.9	-45	-15.5	0	0	0	108.3	N380 Q381	D378-N380 PolarHBondContact O-N 2.85Å; D378-Q381 HydrophobicContact CB-CG 4.13Å; D378-Q381 PolarHBondContact O-N 3.14Å; D378-Q381 PolarHBondContact OD2-NE2 2.69Å
379	S	74.1	Confident	86.6	Confident	121 Å²	121	62.2 Å²	62.2	85%	0.846	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-21	179.7	51	0	0	0	0	114.1
380	N	78.2	Confident	86.5	Confident	150 Å²	150	63.1 Å²	63.1	80%	0.802	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-16.9	177.8	-62.9	-14.1	0	0	0	113.1	D378	D378-N380 PolarHBondContact O-N 2.85Å
381	Q	81.1	Confident	86.8	Confident	92 Å²	92	65.1 Å²	65.1	43%	0.43	37%	0.368	S	S	.	.			trans	-90.2	117.1	178.7	-68.8	-174.1	29.3	0	0	110.2	P376 D378	P376-Q381 HydrophobicContact CB-CB 3.61Å; P376-Q381 WeakPolarHBondContact CB-O 3.3Å; P376-Q381 HydrophobicContact CG-CB 4.48Å; P376-Q381 WeakPolarHBondContact CG-O 3.21Å; D378-Q381 HydrophobicContact CB-CG 4.13Å; D378-Q381 PolarHBondContact O-N 3.14Å; D378-Q381 PolarHBondContact OD2-NE2 2.69Å
382	T	85.7	Confident	86.8	Confident	107 Å²	107	68.9 Å²	68.9	66%	0.656	40%	0.395	S	S	*	.			trans	-89.6	-2.3	-179.1	53.8	0	0	0	0	114	T406	T382-T406 WeakPolarHBondContact O-CG2 3.46Å
383	H	89.5	Confident	86.9	Confident	45 Å²	45	70.1 Å²	70.1	21%	0.208	41%	0.408	C	S	.	.	S	Bend	trans	-163	162.9	-170.6	59	-84.7	0	0	0	111	H404 L405 T406	H383-H404 HydrophobicContact CB-CB 3.9Å; H383-H404 AromaticContact CD2-CD2 3.2Å; H383-H404 PolarHBondContact CD2-CD2 2.83Å; H383-H404 AromaticContact CD2-CG 3.54Å; H383-H404 AromaticContact CD2-NE2 3.84Å; H383-H404 AromaticContact CG-CG 3.93Å; H383-H404 AromaticContact NE2-CD2 3.44Å; H383-H404 PolarHBondContact NE2-CD2 2.85Å; H383-H404 AromaticContact NE2-CG 3.98Å; H383-H404 AromaticContact NE2-NE2 3.54Å; H383-L405 WeakPolarHBondContact CA-O 3.46Å; H383-T406 HydrophobicContact CB-CG2 3.63Å
384	I	90.5	Very high	87.2	Confident	35 Å²	35	68 Å²	68	18%	0.179	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	126.4	171.8	-48.1	165	0	0	0	108.3	I347 R373 G374 P376 T386 Y403 L405	I347-I384 HydrophobicContact CD1-CD1 3.84Å; R373-I384 HydrophobicContact CB-CD1 4.1Å; G374-I384 WeakPolarHBondContact O-CD1 3.48Å; P376-I384 HydrophobicContact CG-CG1 4.19Å; I384-T386 PolarHBondContact O-N 3.29Å; I384-Y403 VanDerWaalsContact O-O 3.13Å; I384-L405 HydrophobicContact CB-CB 4.36Å; I384-L405 HydrophobicContact CD1-CD2 4.36Å; I384-L405 PolarHBondContact N-O 2.82Å; I384-L405 PolarHBondContact O-N 3.4Å
385	L	90.8	Very high	87.5	Confident	125 Å²	125	67.4 Å²	67.4	65%	0.654	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	113.3	166.6	-82.1	161	0	0	0	109.5	H404	L385-H404 VanDerWaalsContact CD2-CD2 3.46Å; L385-H404 WeakPolarHBondContact CD2-CD2 3.34Å
386	T	90.6	Very high	88.1	Confident	32 Å²	32	66.9 Å²	66.9	20%	0.196	38%	0.382	C	S	.	.			trans	-155.2	149.2	179.1	-166.1	0	0	0	0	112.6	I384 Y399 Y403 L405	I384-T386 PolarHBondContact O-N 3.29Å; T386-Y399 HydrophobicContact CG2-CE2 4.11Å; T386-Y403 PolarHBondContact N-O 3.26Å; T386-L405 HydrophobicContact CG2-CB 3.82Å; T386-L405 HydrophobicContact CG2-CD2 3.89Å
387	Q	90.9	Very high	88.6	Confident	130 Å²	130	67.3 Å²	67.3	61%	0.607	39%	0.385	S	S	*	.			trans	-46.6	141.5	173.2	-174.4	-171.1	28	0	0	110.9	R349 K389 Y399	R349-Q387 PolarHBondContact NH2-O 3.47Å; Q387-K389 PolarHBondContact O-N 3.39Å; Q387-Y399 PolarHBondContact O-OH 2.91Å
388	V	91.2	Very high	89.4	Confident	41 Å²	41	64.7 Å²	64.7	25%	0.248	37%	0.366	C	S	.	.			trans	-63.3	124.3	174.4	-178	0	0	0	0	110.3	L395 Y399 M400 Y403	V388-L395 HydrophobicContact CG1-CD1 4.27Å; V388-L395 HydrophobicContact CG1-CD2 4.08Å; V388-Y399 WeakPolarHBondContact CA-OH 3.4Å; V388-Y399 HydrophobicContact CG1-CE1 4.44Å; V388-M400 HydrophobicContact CG1-CG 4.03Å; V388-Y403 HydrophobicContact CG2-CD1 3.83Å; V388-Y403 HydrophobicContact CG2-CE1 3.83Å
389	K	90.9	Very high	90.3	Very high	57 Å²	57	60.9 Å²	60.9	25%	0.248	35%	0.346	C	S	.	.			trans	-141.9	155.3	168.5	-60.3	-174.1	170.3	-172.7	0	109.4	E266 R349 F371 Q387 L395 Y399	E266-K389 IonicContact OE1-NZ 3.88Å; E266-K389 PolarHBondContact OE1-NZ 3.09Å; R349-K389 WeakPolarHBondContact CG-O 3.26Å; F371-K389 HydrophobicContact CD1-CB 3.62Å; F371-K389 HydrophobicContact CD1-CD 3.71Å; F371-K389 HydrophobicContact CD1-CG 4.24Å; F371-K389 HydrophobicContact CE1-CB 3.86Å; F371-K389 HydrophobicContact CE1-CD 3.8Å; F371-K389 HydrophobicContact CE1-CG 4.26Å; F371-K389 HydrophobicContact CG-CB 4.26Å; Q387-K389 PolarHBondContact O-N 3.39Å; K389-L395 WeakPolarHBondContact O-CD2 3.38Å; K389-Y399 PolarHBondContact N-OH 3.18Å
390	G	90.1	Very high	91.2	Very high	20 Å²	20	58.8 Å²	58.8	21%	0.206	32%	0.323	C	S	.	.	S	Bend	trans	126.9	174.5	-173.3	0	0	0	0	0	111.7
391	T	91.7	Very high	92	Very high	44 Å²	44	60.1 Å²	60.1	27%	0.27	32%	0.322	S	S	.	.			trans	-89.3	130.6	-171.3	-58.3	0	0	0	0	113.6	D350 K352 G393 Y394 L395	D350-T391 VanDerWaalsContact OD1-CB 3.28Å; D350-T391 WeakPolarHBondContact OD1-CB 3.49Å; D350-T391 PolarHBondContact OD1-N 3.36Å; D350-T391 PolarHBondContact OD1-OG1 3.19Å; K352-T391 HydrophobicContact CD-CG2 4.04Å; K352-T391 WeakPolarHBondContact CD-OG1 3.45Å; K352-T391 WeakPolarHBondContact CE-OG1 3.44Å; K352-T391 PolarHBondContact NZ-OG1 3.34Å; T391-G393 PolarHBondContact O-N 3.18Å; T391-Y394 HydrophobicContact CG2-CD2 3.9Å; T391-Y394 HydrophobicContact CG2-CE2 4.12Å; T391-Y394 PolarHBondContact O-N 3.19Å; T391-L395 PolarHBondContact O-N 2.74Å
392	V	89.9	Confident	92.6	Very high	122 Å²	122	57.8 Å²	57.8	74%	0.739	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	134.2	175.3	179.5	0	0	0	0	110.9
393	G	93.8	Very high	93	Very high	26 Å²	26	58.6 Å²	58.6	27%	0.268	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	-31.9	-173.1	0	0	0	0	0	113.8	T391 I416	T391-G393 PolarHBondContact O-N 3.18Å; G393-I416 WeakPolarHBondContact O-CG2 3.42Å
394	Y	97.8	Very high	93.3	Very high	18 Å²	18	59 Å²	59	7%	0.071	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-20.1	175.9	-55.7	-94.9	0	0	0	112.9	I351 K352 S353 T391 D396 Y412 S413 I416 E420 P427	I351-Y394 VanDerWaalsContact O-CD1 3.3Å; I351-Y394 WeakPolarHBondContact O-CD1 3.47Å; K352-Y394 HydrophobicContact CB-CD1 3.99Å; K352-Y394 HydrophobicContact CB-CD2 3.86Å; K352-Y394 HydrophobicContact CB-CE1 3.69Å; K352-Y394 HydrophobicContact CB-CE2 3.55Å; K352-Y394 HydrophobicContact CB-CG 4.06Å; K352-Y394 VanDerWaalsContact CB-CZ 3.43Å; S353-Y394 PolarHBondContact OG-OH 3.01Å; T391-Y394 HydrophobicContact CG2-CD2 3.9Å; T391-Y394 HydrophobicContact CG2-CE2 4.12Å; T391-Y394 PolarHBondContact O-N 3.19Å; Y394-D396 PolarHBondContact O-N 2.82Å; Y394-Y412 VanDerWaalsContact O-CD1 3.26Å; Y394-Y412 WeakPolarHBondContact O-CD1 3.29Å; Y394-Y412 WeakPolarHBondContact O-CE1 3.46Å; Y394-S413 PolarHBondContact O-OG 2.77Å; Y394-I416 HydrophobicContact CD1-CB 4.15Å; Y394-I416 HydrophobicContact CD1-CG2 3.7Å; Y394-I416 HydrophobicContact CE1-CG2 4.09Å; Y394-I416 HydrophobicContact CG-CG2 4.29Å; Y394-E420 PolarHBondContact OH-OE1 2.94Å; Y394-E420 PolarHBondContact OH-OE2 3.09Å; Y394-P427 HydrophobicContact CD1-CG 4.32Å; Y394-P427 HydrophobicContact CD2-CG 4.4Å; Y394-P427 HydrophobicContact CE1-CG 3.74Å; Y394-P427 HydrophobicContact CE2-CG 3.84Å; Y394-P427 VanDerWaalsContact CZ-CG 3.5Å
395	L	96.2	Very high	93.5	Very high	22 Å²	22	57.3 Å²	57.3	12%	0.115	30%	0.299	C	S	.	.	S	Bend	trans	-57.3	129.1	-178.3	-77.2	167.8	0	0	0	113.4	V388 K389 T391 M400 Y412	V388-L395 HydrophobicContact CG1-CD1 4.27Å; V388-L395 HydrophobicContact CG1-CD2 4.08Å; K389-L395 WeakPolarHBondContact O-CD2 3.38Å; T391-L395 PolarHBondContact O-N 2.74Å; L395-M400 HydrophobicContact CB-CE 4.04Å; L395-M400 HydrophobicContact CB-CG 3.93Å; L395-M400 HydrophobicContact CB-SD 3.59Å; L395-M400 VanDerWaalsContact CB-SD 3.59Å; L395-M400 HydrophobicContact CD1-CG 4.38Å; L395-M400 HydrophobicContact CD1-SD 3.88Å; L395-M400 HydrophobicContact CG-SD 4.34Å; L395-Y412 WeakPolarHBondContact O-CE1 3.44Å
396	D	97.2	Very high	93.8	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.016	27%	0.271	C	S	.	.			trans	-61.8	121.2	173.1	170.3	6.6	0	0	0	111.6	Y394 E398 Y399 M400 S409 Y412 R487	Y394-D396 PolarHBondContact O-N 2.82Å; D396-E398 VanDerWaalsContact C-N 3.32Å; D396-E398 PolarHBondContact O-N 2.79Å; D396-E398 WeakPolarHBondContact OD1-CB 3.11Å; D396-E398 PolarHBondContact OD1-N 3.19Å; D396-Y399 PolarHBondContact O-N 3.2Å; D396-Y399 PolarHBondContact OD1-N 3.4Å; D396-M400 WeakPolarHBondContact O-CG 3.09Å; D396-M400 PolarHBondContact O-N 3.35Å; D396-S409 VanDerWaalsContact OD2-CA 3.29Å; D396-S409 WeakPolarHBondContact OD2-CA 3.35Å; D396-S409 VanDerWaalsContact OD2-CB 3.26Å; D396-S409 WeakPolarHBondContact OD2-CB 3.47Å; D396-S409 PolarHBondContact OD2-OG 3.37Å; D396-Y412 VanDerWaalsContact CA-CD1 3.5Å; D396-Y412 HydrophobicContact CB-CD1 4.11Å; D396-Y412 HydrophobicContact CB-CG 4.15Å; D396-R487 IonicContact OD1-CZ 2.75Å; D396-R487 IonicContact OD1-NH1 3.69Å; D396-R487 PolarHBondContact OD1-NH1 3.04Å; D396-R487 IonicContact OD1-NH2 2.69Å; D396-R487 PolarHBondContact OD1-NH2 3.5Å; D396-R487 IonicContact OD2-CZ 3.4Å; D396-R487 IonicContact OD2-NH1 3.66Å; D396-R487 PolarHBondContact OD2-NH1 2.78Å; D396-R487 IonicContact OD2-NH2 3.25Å
397	P	95	Very high	94.1	Very high	44 Å²	44	51 Å²	51	29%	0.286	27%	0.267	S	S	.	.	H	α-helix	trans	-66.6	-28.6	-178.3	27.4	-35.5	0	0	0	113.7	M400 K401 Y412	P397-M400 HydrophobicContact CB-CE 4.25Å; P397-K401 VanDerWaalsContact O-CB 3.32Å; P397-K401 WeakPolarHBondContact O-CB 3.47Å; P397-K401 PolarHBondContact O-N 3.21Å; P397-K401 VanDerWaalsContact O-N 3.09Å; P397-Y412 VanDerWaalsContact CD-CE2 3.45Å; P397-Y412 VanDerWaalsContact CD-CZ 3.41Å; P397-Y412 HydrophobicContact CG-CE2 4.02Å
398	E	95	Very high	94.4	Very high	42 Å²	42	47.4 Å²	47.4	20%	0.196	25%	0.25	C	C	.	.	H	α-helix	trans	-69.9	-44.8	174.6	-167.4	-176.4	142.2	0	0	110	D396 K401 T402 K484	D396-E398 VanDerWaalsContact C-N 3.32Å; D396-E398 PolarHBondContact O-N 2.79Å; D396-E398 WeakPolarHBondContact OD1-CB 3.11Å; D396-E398 PolarHBondContact OD1-N 3.19Å; E398-K401 PolarHBondContact O-N 2.74Å; E398-T402 HydrophobicContact CG-CG2 4.32Å; E398-T402 WeakPolarHBondContact O-CB 3.42Å; E398-T402 WeakPolarHBondContact O-CG2 3.46Å; E398-T402 PolarHBondContact O-N 2.8Å; E398-T402 PolarHBondContact O-OG1 3Å; E398-K484 WeakPolarHBondContact OE1-CD 3.05Å; E398-K484 WeakPolarHBondContact OE1-CE 3.45Å; E398-K484 IonicContact OE1-NZ 3.92Å; E398-K484 PolarHBondContact OE1-NZ 3.37Å; E398-K484 WeakPolarHBondContact OE2-CB 3.31Å; E398-K484 WeakPolarHBondContact OE2-CG 3.25Å; E398-K484 PolarHBondContact OE2-N 2.8Å
399	Y	96	Very high	94.8	Very high	3 Å²	3	45.7 Å²	45.7	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-45	174.4	171.3	-139.1	0	0	0	111.8	R349 T386 Q387 V388 K389 D396 K401 T402 Y403 L405	R349-Y399 HydrophobicContact CG-CE1 4.21Å; R349-Y399 PolarHBondContact NE-OH 3.33Å; R349-Y399 PolarHBondContact NH2-OH 2.83Å; R349-Y399 VanDerWaalsContact NH2-OH 3.14Å; T386-Y399 HydrophobicContact CG2-CE2 4.11Å; Q387-Y399 PolarHBondContact O-OH 2.91Å; V388-Y399 WeakPolarHBondContact CA-OH 3.4Å; V388-Y399 HydrophobicContact CG1-CE1 4.44Å; K389-Y399 PolarHBondContact N-OH 3.18Å; D396-Y399 PolarHBondContact O-N 3.2Å; D396-Y399 PolarHBondContact OD1-N 3.4Å; Y399-K401 VanDerWaalsContact C-N 3.27Å; Y399-K401 PolarHBondContact O-N 2.82Å; Y399-T402 PolarHBondContact O-N 3.42Å; Y399-Y403 WeakPolarHBondContact O-CA 3.1Å; Y399-Y403 PolarHBondContact O-N 3.4Å; Y399-L405 HydrophobicContact CD1-CD1 4.05Å; Y399-L405 HydrophobicContact CD2-CB 4.03Å; Y399-L405 HydrophobicContact CD2-CD1 4.44Å; Y399-L405 HydrophobicContact CE1-CD1 3.87Å; Y399-L405 HydrophobicContact CE2-CB 3.77Å; Y399-L405 HydrophobicContact CE2-CD1 4.31Å; Y399-L405 HydrophobicContact CG-CD1 4.34Å
400	M	93.7	Very high	95.1	Very high	77 Å²	77	43 Å²	43	38%	0.379	23%	0.227	S	C	.	.	H	α-helix	trans	-58.5	-38.1	175.9	-72.8	-167.2	-70.1	0	0	112.9	V388 L395 D396 P397	V388-M400 HydrophobicContact CG1-CG 4.03Å; L395-M400 HydrophobicContact CB-CE 4.04Å; L395-M400 HydrophobicContact CB-CG 3.93Å; L395-M400 HydrophobicContact CB-SD 3.59Å; L395-M400 VanDerWaalsContact CB-SD 3.59Å; L395-M400 HydrophobicContact CD1-CG 4.38Å; L395-M400 HydrophobicContact CD1-SD 3.88Å; L395-M400 HydrophobicContact CG-SD 4.34Å; D396-M400 WeakPolarHBondContact O-CG 3.09Å; D396-M400 PolarHBondContact O-N 3.35Å; P397-M400 HydrophobicContact CB-CE 4.25Å
401	K	93.8	Very high	95.5	Very high	177 Å²	177	42 Å²	42	77%	0.77	22%	0.218	S	C	*	.	H	α-helix	trans	-79.7	-35.1	-178.8	-176.5	179.3	178.2	-176.1	0	113.5	P397 E398 Y399	P397-K401 VanDerWaalsContact O-CB 3.32Å; P397-K401 WeakPolarHBondContact O-CB 3.47Å; P397-K401 PolarHBondContact O-N 3.21Å; P397-K401 VanDerWaalsContact O-N 3.09Å; E398-K401 PolarHBondContact O-N 2.74Å; Y399-K401 VanDerWaalsContact C-N 3.27Å; Y399-K401 PolarHBondContact O-N 2.82Å
402	T	94.3	Very high	95.9	Very high	43 Å²	43	41.1 Å²	41.1	26%	0.264	21%	0.209	S	C	.	.	H	α-helix	trans	-112.1	-10.9	-167.1	64.2	0	0	0	0	114.6	E398 Y399 H404	E398-T402 HydrophobicContact CG-CG2 4.32Å; E398-T402 WeakPolarHBondContact O-CB 3.42Å; E398-T402 WeakPolarHBondContact O-CG2 3.46Å; E398-T402 PolarHBondContact O-N 2.8Å; E398-T402 PolarHBondContact O-OG1 3Å; Y399-T402 PolarHBondContact O-N 3.42Å; T402-H404 PolarHBondContact O-CD2 3.43Å; T402-H404 PolarHBondContact O-N 3.24Å; T402-H404 VanDerWaalsContact O-N 3.08Å; T402-H404 WeakPolarHBondContact OG1-CB 3.19Å; T402-H404 PolarHBondContact OG1-N 3.03Å
403	Y	94.6	Very high	96.3	Very high	125 Å²	125	35.6 Å²	35.6	49%	0.49	18%	0.176	S	C	.	.			trans	60.2	7.9	-170.6	-54.5	-90.7	0	0	0	114.5	I384 T386 V388 Y399 L405	I384-Y403 VanDerWaalsContact O-O 3.13Å; T386-Y403 PolarHBondContact N-O 3.26Å; V388-Y403 HydrophobicContact CG2-CD1 3.83Å; V388-Y403 HydrophobicContact CG2-CE1 3.83Å; Y399-Y403 WeakPolarHBondContact O-CA 3.1Å; Y399-Y403 PolarHBondContact O-N 3.4Å; Y403-L405 PolarHBondContact O-N 2.72Å
404	H	94.9	Very high	96.5	Very high	53 Å²	53	34.5 Å²	34.5	25%	0.245	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	95.9	176.9	-60.4	156.1	0	0	0	110.9	H383 L385 T402	H383-H404 HydrophobicContact CB-CB 3.9Å; H383-H404 AromaticContact CD2-CD2 3.2Å; H383-H404 PolarHBondContact CD2-CD2 2.83Å; H383-H404 AromaticContact CD2-CG 3.54Å; H383-H404 AromaticContact CD2-NE2 3.84Å; H383-H404 AromaticContact CG-CG 3.93Å; H383-H404 AromaticContact NE2-CD2 3.44Å; H383-H404 PolarHBondContact NE2-CD2 2.85Å; H383-H404 AromaticContact NE2-CG 3.98Å; H383-H404 AromaticContact NE2-NE2 3.54Å; L385-H404 VanDerWaalsContact CD2-CD2 3.46Å; L385-H404 WeakPolarHBondContact CD2-CD2 3.34Å; T402-H404 PolarHBondContact O-CD2 3.43Å; T402-H404 PolarHBondContact O-N 3.24Å; T402-H404 VanDerWaalsContact O-N 3.08Å; T402-H404 WeakPolarHBondContact OG1-CB 3.19Å; T402-H404 PolarHBondContact OG1-N 3.03Å
405	L	95.9	Very high	96.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	134.1	173.5	-178.6	64.5	0	0	0	110.3	I347 R349 R373 H383 I384 T386 Y399 Y403	I347-L405 HydrophobicContact CB-CD2 4.49Å; I347-L405 HydrophobicContact CD1-CG 4.11Å; I347-L405 HydrophobicContact CG2-CD1 3.81Å; I347-L405 HydrophobicContact CG2-CD2 4.23Å; I347-L405 HydrophobicContact CG2-CG 3.96Å; R349-L405 HydrophobicContact CB-CD1 4.38Å; R349-L405 HydrophobicContact CG-CD1 3.92Å; R349-L405 HydrophobicContact CG-CD2 4.2Å; R373-L405 HydrophobicContact CB-CD2 4.41Å; H383-L405 WeakPolarHBondContact CA-O 3.46Å; I384-L405 HydrophobicContact CB-CB 4.36Å; I384-L405 HydrophobicContact CD1-CD2 4.36Å; I384-L405 PolarHBondContact N-O 2.82Å; I384-L405 PolarHBondContact O-N 3.4Å; T386-L405 HydrophobicContact CG2-CB 3.82Å; T386-L405 HydrophobicContact CG2-CD2 3.89Å; Y399-L405 HydrophobicContact CD1-CD1 4.05Å; Y399-L405 HydrophobicContact CD2-CB 4.03Å; Y399-L405 HydrophobicContact CD2-CD1 4.44Å; Y399-L405 HydrophobicContact CE1-CD1 3.87Å; Y399-L405 HydrophobicContact CE2-CB 3.77Å; Y399-L405 HydrophobicContact CE2-CD1 4.31Å; Y399-L405 HydrophobicContact CG-CD1 4.34Å; Y403-L405 PolarHBondContact O-N 2.72Å
406	T	96	Very high	96.7	Very high	10 Å²	10	32.8 Å²	32.8	6%	0.061	16%	0.156	C	C	.	.			trans	-142.8	164.9	177.4	65	0	0	0	0	110.8	I347 T382 H383 K408 S409 K484	I347-T406 VanDerWaalsContact CD1-C 3.5Å; T382-T406 WeakPolarHBondContact O-CG2 3.46Å; H383-T406 HydrophobicContact CB-CG2 3.63Å; T406-K408 PolarHBondContact O-N 2.9Å; T406-K408 VanDerWaalsContact O-N 3.16Å; T406-K408 PolarHBondContact OG1-N 2.96Å; T406-S409 PolarHBondContact N-OG 2.81Å; T406-S409 VanDerWaalsContact O-CB 3.23Å; T406-S409 WeakPolarHBondContact O-CB 3.41Å; T406-S409 PolarHBondContact O-N 2.98Å; T406-S409 PolarHBondContact O-OG 2.86Å; T406-K484 HydrophobicContact CG2-CD 4.17Å
407	A	97.1	Very high	96.8	Very high	15 Å²	15	32.7 Å²	32.7	12%	0.124	16%	0.156	C	C	.	.	H	α-helix	trans	-55.2	-29.6	169.4	0	0	0	0	0	112.8	H339 S409 D410 V411	H339-A407 HydrophobicContact CB-CB 4.42Å; H339-A407 PolarHBondContact CE1-O 2.9Å; A407-S409 PolarHBondContact O-N 2.96Å; A407-D410 WeakPolarHBondContact O-CB 3.15Å; A407-D410 PolarHBondContact O-N 3.32Å; A407-D410 VanDerWaalsContact O-N 3.14Å; A407-V411 PolarHBondContact O-N 3.19Å
408	K	98	Very high	97	Very high	54 Å²	54	30.7 Å²	30.7	24%	0.235	14%	0.143	C	C	.	.	H	α-helix	trans	-67.3	-14.3	174.1	-61	-59.3	-167.9	77	0	113.9	T406 V411 Y412 K484 R487 P488	T406-K408 PolarHBondContact O-N 2.9Å; T406-K408 VanDerWaalsContact O-N 3.16Å; T406-K408 PolarHBondContact OG1-N 2.96Å; K408-V411 HydrophobicContact CD-CG2 4.07Å; K408-Y412 PolarHBondContact O-N 3.14Å; K408-K484 HydrophobicContact CB-CB 3.72Å; K408-K484 HydrophobicContact CG-CB 4.16Å; K408-K484 PolarHBondContact NZ-O 3.45Å; K408-R487 HydrophobicContact CD-CB 4.29Å; K408-R487 PolarHBondContact NZ-O 3.37Å; K408-R487 WeakPolarHBondContact O-CD 3.41Å; K408-R487 PolarHBondContact O-NH1 3.39Å; K408-P488 VanDerWaalsContact CD-O 3.26Å; K408-P488 WeakPolarHBondContact CD-O 3.49Å; K408-P488 VanDerWaalsContact CE-O 3.3Å; K408-P488 WeakPolarHBondContact CE-O 3.47Å
409	S	98.1	Very high	97.1	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.028	13%	0.134	C	C	.	.	H	α-helix	trans	-74.8	-36.5	171.8	-53.5	0	0	0	0	111.2	D396 T406 A407 Y412 S413	D396-S409 VanDerWaalsContact OD2-CA 3.29Å; D396-S409 WeakPolarHBondContact OD2-CA 3.35Å; D396-S409 VanDerWaalsContact OD2-CB 3.26Å; D396-S409 WeakPolarHBondContact OD2-CB 3.47Å; D396-S409 PolarHBondContact OD2-OG 3.37Å; T406-S409 PolarHBondContact N-OG 2.81Å; T406-S409 VanDerWaalsContact O-CB 3.23Å; T406-S409 WeakPolarHBondContact O-CB 3.41Å; T406-S409 PolarHBondContact O-N 2.98Å; T406-S409 PolarHBondContact O-OG 2.86Å; A407-S409 PolarHBondContact O-N 2.96Å; S409-Y412 PolarHBondContact O-N 3.24Å; S409-S413 PolarHBondContact O-N 3.36Å; S409-S413 PolarHBondContact O-OG 3.18Å
410	D	98.6	Very high	97.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.3	-37.4	168.7	-72.1	-17.3	0	0	0	111.6	L335 H339 I347 H348 R349 A407 Y412 S413 F414	L335-D410 HydrophobicContact CD2-CB 4.23Å; H339-D410 IonicContact CD2-OD2 2.7Å; H339-D410 IonicContact CE1-OD2 3.75Å; H339-D410 IonicContact NE2-OD2 2.78Å; H339-D410 PolarHBondContact NE2-OD2 2.81Å; I347-D410 WeakPolarHBondContact CA-OD2 3.26Å; H348-D410 PolarHBondContact N-OD1 3.48Å; H348-D410 PolarHBondContact N-OD2 3.23Å; R349-D410 WeakPolarHBondContact CA-OD1 3.23Å; R349-D410 PolarHBondContact N-OD1 3.16Å; A407-D410 WeakPolarHBondContact O-CB 3.15Å; A407-D410 PolarHBondContact O-N 3.32Å; A407-D410 VanDerWaalsContact O-N 3.14Å; D410-Y412 VanDerWaalsContact C-N 3.28Å; D410-Y412 PolarHBondContact O-N 3.33Å; D410-S413 PolarHBondContact O-N 3.32Å; D410-F414 WeakPolarHBondContact O-CB 3.37Å; D410-F414 PolarHBondContact O-N 3.12Å
411	V	98.8	Very high	97.4	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	12%	0.116	C	C	.	.	H	α-helix	trans	-58.8	-40.8	175	-179.1	0	0	0	0	111	A407 K408 F414 G415 C479 R487 M490	A407-V411 PolarHBondContact O-N 3.19Å; K408-V411 HydrophobicContact CD-CG2 4.07Å; V411-F414 WeakPolarHBondContact O-CB 3.5Å; V411-F414 PolarHBondContact O-N 3.23Å; V411-G415 PolarHBondContact O-N 2.72Å; V411-C479 HydrophobicContact CG1-CB 3.93Å; V411-C479 WeakPolarHBondContact O-CB 3.48Å; V411-R487 HydrophobicContact CG1-CB 4.09Å; V411-M490 HydrophobicContact CB-SD 4.28Å; V411-M490 HydrophobicContact CG1-SD 4.37Å; V411-M490 HydrophobicContact CG2-CG 3.92Å; V411-M490 HydrophobicContact CG2-SD 3.72Å
412	Y	98.8	Very high	97.6	Very high	24 Å²	24	17 Å²	17	9%	0.094	8%	0.081	C	C	.	.	H	α-helix	trans	-62.5	-51.2	174.9	-179.7	-85.3	0	0	0	111.7	Y394 L395 D396 P397 K408 S409 D410 F414 G415 I416 C479 A480	Y394-Y412 VanDerWaalsContact O-CD1 3.26Å; Y394-Y412 WeakPolarHBondContact O-CD1 3.29Å; Y394-Y412 WeakPolarHBondContact O-CE1 3.46Å; L395-Y412 WeakPolarHBondContact O-CE1 3.44Å; D396-Y412 VanDerWaalsContact CA-CD1 3.5Å; D396-Y412 HydrophobicContact CB-CD1 4.11Å; D396-Y412 HydrophobicContact CB-CG 4.15Å; P397-Y412 VanDerWaalsContact CD-CE2 3.45Å; P397-Y412 VanDerWaalsContact CD-CZ 3.41Å; P397-Y412 HydrophobicContact CG-CE2 4.02Å; K408-Y412 PolarHBondContact O-N 3.14Å; S409-Y412 PolarHBondContact O-N 3.24Å; D410-Y412 VanDerWaalsContact C-N 3.28Å; D410-Y412 PolarHBondContact O-N 3.33Å; Y412-F414 PolarHBondContact O-N 2.9Å; Y412-G415 WeakPolarHBondContact O-CA 3.18Å; Y412-G415 PolarHBondContact O-N 3.33Å; Y412-I416 HydrophobicContact CD1-CG1 4.1Å; Y412-I416 HydrophobicContact CE1-CD1 4.08Å; Y412-I416 HydrophobicContact CE1-CG1 3.65Å; Y412-I416 PolarHBondContact O-N 3.43Å; Y412-C479 WeakPolarHBondContact CA-O 3.38Å; Y412-A480 HydrophobicContact CD2-CB 4.34Å; Y412-A480 HydrophobicContact CE2-CB 4.26Å; Y412-A480 VanDerWaalsContact CE2-O 3.29Å; Y412-A480 WeakPolarHBondContact CE2-O 3.34Å
413	S	98.8	Very high	97.6	Very high	6 Å²	6	15.3 Å²	15.3	4%	0.042	7%	0.071	C	C	.	.	H	α-helix	trans	-58.1	-36.9	177	-55.3	0	0	0	0	112.2	Y394 S409 D410 I416 L417	Y394-S413 PolarHBondContact O-OG 2.77Å; S409-S413 PolarHBondContact O-N 3.36Å; S409-S413 PolarHBondContact O-OG 3.18Å; D410-S413 PolarHBondContact O-N 3.32Å; S413-I416 PolarHBondContact O-N 2.7Å; S413-L417 WeakPolarHBondContact O-CB 3.48Å; S413-L417 PolarHBondContact O-N 2.9Å
414	F	98.9	Very high	97.7	Very high	3 Å²	3	10 Å²	10	1%	0.013	5%	0.053	C	C	.	.	H	α-helix	trans	-64.8	-40.7	172.4	177.2	-90.5	0	0	0	112.5	V328 V331 C332 L335 D410 V411 Y412 L417 L418 C479 M490 V493 L497	V328-F414 HydrophobicContact CG1-CE2 4.36Å; V328-F414 HydrophobicContact CG1-CZ 3.71Å; V331-F414 HydrophobicContact CB-CE2 4.21Å; V331-F414 HydrophobicContact CG1-CD2 3.86Å; V331-F414 HydrophobicContact CG1-CE2 3.99Å; C332-F414 HydrophobicContact CB-CE2 4.13Å; C332-F414 HydrophobicContact CB-CZ 4.06Å; L335-F414 HydrophobicContact CD1-CB 4.02Å; L335-F414 HydrophobicContact CD1-CD2 3.84Å; L335-F414 HydrophobicContact CD1-CG 4.24Å; D410-F414 WeakPolarHBondContact O-CB 3.37Å; D410-F414 PolarHBondContact O-N 3.12Å; V411-F414 WeakPolarHBondContact O-CB 3.5Å; V411-F414 PolarHBondContact O-N 3.23Å; Y412-F414 PolarHBondContact O-N 2.9Å; F414-L417 PolarHBondContact O-N 2.81Å; F414-L418 HydrophobicContact CE1-CD2 4.4Å; F414-L418 WeakPolarHBondContact O-CB 3.4Å; F414-L418 PolarHBondContact O-N 3.4Å; F414-C479 HydrophobicContact CD1-CB 4.5Å; F414-M490 HydrophobicContact CB-SD 4.49Å; F414-M490 HydrophobicContact CD1-CE 4.02Å; F414-M490 HydrophobicContact CD1-SD 4.41Å; F414-M490 HydrophobicContact CD2-CE 3.96Å; F414-M490 HydrophobicContact CE1-CE 4.16Å; F414-M490 HydrophobicContact CE2-CE 4.08Å; F414-M490 HydrophobicContact CG-CE 3.91Å; F414-M490 HydrophobicContact CG-SD 4.35Å; F414-M490 HydrophobicContact CZ-CE 4.18Å; F414-V493 HydrophobicContact CD1-CG1 4.3Å; F414-V493 HydrophobicContact CE1-CG1 3.55Å; F414-V493 HydrophobicContact CZ-CG1 4.07Å; F414-L497 HydrophobicContact CZ-CD1 4.14Å
415	G	98.8	Very high	97.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-60.4	-43.6	173.5	0	0	0	0	0	112.6	V411 Y412 L418 V419	V411-G415 PolarHBondContact O-N 2.72Å; Y412-G415 WeakPolarHBondContact O-CA 3.18Å; Y412-G415 PolarHBondContact O-N 3.33Å; G415-L418 PolarHBondContact O-N 3.4Å; G415-V419 PolarHBondContact O-N 2.88Å; G415-V419 VanDerWaalsContact O-N 3.12Å
416	I	98.7	Very high	97.7	Very high	4 Å²	4	13.5 Å²	13.5	2%	0.021	7%	0.065	C	C	.	.	H	α-helix	trans	-62.8	-46.5	173.5	-60.2	-56.3	0	0	0	111.5	G393 Y394 Y412 S413 L418 V419 E420 P427 V440 A480	G393-I416 WeakPolarHBondContact O-CG2 3.42Å; Y394-I416 HydrophobicContact CD1-CB 4.15Å; Y394-I416 HydrophobicContact CD1-CG2 3.7Å; Y394-I416 HydrophobicContact CE1-CG2 4.09Å; Y394-I416 HydrophobicContact CG-CG2 4.29Å; Y412-I416 HydrophobicContact CD1-CG1 4.1Å; Y412-I416 HydrophobicContact CE1-CD1 4.08Å; Y412-I416 HydrophobicContact CE1-CG1 3.65Å; Y412-I416 PolarHBondContact O-N 3.43Å; S413-I416 PolarHBondContact O-N 2.7Å; I416-L418 VanDerWaalsContact C-N 3.27Å; I416-L418 PolarHBondContact O-N 3.34Å; I416-V419 PolarHBondContact O-N 3.12Å; I416-E420 PolarHBondContact O-N 2.68Å; I416-P427 HydrophobicContact CG2-CB 3.69Å; I416-P427 HydrophobicContact CG2-CG 3.61Å; I416-V440 HydrophobicContact CD1-CB 3.75Å; I416-V440 HydrophobicContact CD1-CG1 3.7Å; I416-V440 HydrophobicContact CD1-CG2 3.91Å; I416-A480 HydrophobicContact CD1-CB 4.1Å
417	L	98.8	Very high	97.7	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-59.5	-37.5	176.2	176.5	61.5	0	0	0	111.7	L307 V331 I351 I356 S413 F414 E420 I421	L307-L417 HydrophobicContact CD2-CD1 4.24Å; V331-L417 HydrophobicContact CG1-CD2 4.16Å; I351-L417 HydrophobicContact CG2-CD2 3.73Å; I356-L417 HydrophobicContact CD1-CD2 4.28Å; I356-L417 HydrophobicContact CG1-CD2 3.89Å; S413-L417 WeakPolarHBondContact O-CB 3.48Å; S413-L417 PolarHBondContact O-N 2.9Å; F414-L417 PolarHBondContact O-N 2.81Å; L417-E420 PolarHBondContact O-N 2.85Å; L417-I421 HydrophobicContact CD1-CD1 3.99Å; L417-I421 HydrophobicContact CD1-CG1 4.18Å; L417-I421 HydrophobicContact CG-CD1 3.82Å; L417-I421 HydrophobicContact CG-CG1 4.44Å; L417-I421 WeakPolarHBondContact O-CB 3.46Å; L417-I421 WeakPolarHBondContact O-CG1 3.47Å; L417-I421 PolarHBondContact O-N 3.18Å
418	L	98.7	Very high	97.6	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-65.7	-41.4	176.3	-177.7	52.3	0	0	0	111.8	V328 F414 G415 I416 I421 L422 M472 L475 A476	V328-L418 HydrophobicContact CB-CD1 4.27Å; V328-L418 HydrophobicContact CG1-CD1 3.7Å; V328-L418 HydrophobicContact CG1-CD2 4.49Å; V328-L418 HydrophobicContact CG2-CD1 3.53Å; F414-L418 HydrophobicContact CE1-CD2 4.4Å; F414-L418 WeakPolarHBondContact O-CB 3.4Å; F414-L418 PolarHBondContact O-N 3.4Å; G415-L418 PolarHBondContact O-N 3.4Å; I416-L418 VanDerWaalsContact C-N 3.27Å; I416-L418 PolarHBondContact O-N 3.34Å; L418-I421 PolarHBondContact O-N 3.39Å; L418-L422 HydrophobicContact CD1-CD1 4.06Å; L418-L422 HydrophobicContact CD1-CG 4.2Å; L418-L422 HydrophobicContact CG-CD1 4.11Å; L418-L422 VanDerWaalsContact O-CG 3.26Å; L418-L422 WeakPolarHBondContact O-CG 3.49Å; L418-L422 PolarHBondContact O-N 2.88Å; L418-M472 HydrophobicContact CD1-CE 3.8Å; L418-L475 HydrophobicContact CD2-CG 4.4Å; L418-A476 HydrophobicContact CB-CB 3.98Å; L418-A476 HydrophobicContact CD2-CB 3.73Å; L418-A476 HydrophobicContact CG-CB 3.69Å
419	V	98.5	Very high	97.4	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.012	8%	0.077	C	C	.	.	H	α-helix	trans	-63	-43.9	172	178.5	0	0	0	0	111.2	G415 I416 I421 L422 T423 T439 V440 A443 A476 F477	G415-V419 PolarHBondContact O-N 2.88Å; G415-V419 VanDerWaalsContact O-N 3.12Å; I416-V419 PolarHBondContact O-N 3.12Å; V419-I421 PolarHBondContact O-N 3.31Å; V419-L422 PolarHBondContact O-N 3.48Å; V419-T423 HydrophobicContact CG1-CG2 3.92Å; V419-T423 WeakPolarHBondContact O-CB 3.48Å; V419-T423 VanDerWaalsContact O-CG2 3.23Å; V419-T423 WeakPolarHBondContact O-CG2 3.43Å; V419-T423 PolarHBondContact O-N 3.26Å; V419-T423 PolarHBondContact O-OG1 3.28Å; V419-T439 HydrophobicContact CG1-CG2 4Å; V419-V440 HydrophobicContact CG2-CG2 4.36Å; V419-A443 HydrophobicContact CG1-CB 3.79Å; V419-A476 HydrophobicContact CG2-CB 3.75Å; V419-F477 HydrophobicContact CG2-CD1 4.49Å; V419-F477 HydrophobicContact CG2-CE1 4.11Å
420	E	98.1	Very high	96.9	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.009	11%	0.107	C	C	.	.	H	α-helix	trans	-59.5	-43.8	175.7	170.9	177.1	-131.7	0	0	111.8	R308 L311 S353 Y394 I416 L417 G424 R425	R308-E420 IonicContact CZ-OE1 2.7Å; R308-E420 IonicContact NH1-OE1 2.66Å; R308-E420 PolarHBondContact NH1-OE1 2.9Å; L311-E420 HydrophobicContact CD1-CG 3.88Å; S353-E420 WeakPolarHBondContact CB-OE2 3.46Å; S353-E420 PolarHBondContact OG-OE1 3.44Å; S353-E420 PolarHBondContact OG-OE2 3.48Å; Y394-E420 PolarHBondContact OH-OE1 2.94Å; Y394-E420 PolarHBondContact OH-OE2 3.09Å; I416-E420 PolarHBondContact O-N 2.68Å; L417-E420 PolarHBondContact O-N 2.85Å; E420-G424 VanDerWaalsContact O-CA 3.27Å; E420-G424 WeakPolarHBondContact O-CA 3.28Å; E420-G424 PolarHBondContact O-N 3.38Å; E420-R425 WeakPolarHBondContact CG-O 3.32Å
421	I	97.7	Very high	96.6	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-63.9	-42	178.4	-72.9	166.4	0	0	0	111.5	L307 L311 R324 I327 V328 L417 L418 V419	L307-I421 HydrophobicContact CD2-CD1 3.77Å; L307-I421 HydrophobicContact CD2-CG1 3.89Å; L311-I421 HydrophobicContact CD1-CG1 4.41Å; R324-I421 HydrophobicContact CB-CG2 3.62Å; R324-I421 WeakPolarHBondContact CD-O 3.07Å; R324-I421 HydrophobicContact CG-CG2 3.83Å; R324-I421 PolarHBondContact NH1-O 3.05Å; I327-I421 HydrophobicContact CG2-CD1 4.4Å; V328-I421 HydrophobicContact CG2-CB 4.42Å; V328-I421 HydrophobicContact CG2-CD1 3.61Å; V328-I421 HydrophobicContact CG2-CG2 3.93Å; L417-I421 HydrophobicContact CD1-CD1 3.99Å; L417-I421 HydrophobicContact CD1-CG1 4.18Å; L417-I421 HydrophobicContact CG-CD1 3.82Å; L417-I421 HydrophobicContact CG-CG1 4.44Å; L417-I421 WeakPolarHBondContact O-CB 3.46Å; L417-I421 WeakPolarHBondContact O-CG1 3.47Å; L417-I421 PolarHBondContact O-N 3.18Å; L418-I421 PolarHBondContact O-N 3.39Å; V419-I421 PolarHBondContact O-N 3.31Å
422	L	96.9	Very high	96.3	Very high	6 Å²	6	34.2 Å²	34.2	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-72.6	-38.3	-179	-69.2	166.5	0	0	0	112.7	F321 L418 V419 D457 M472 F473	F321-L422 HydrophobicContact CE2-CD2 3.89Å; L418-L422 HydrophobicContact CD1-CD1 4.06Å; L418-L422 HydrophobicContact CD1-CG 4.2Å; L418-L422 HydrophobicContact CG-CD1 4.11Å; L418-L422 VanDerWaalsContact O-CG 3.26Å; L418-L422 WeakPolarHBondContact O-CG 3.49Å; L418-L422 PolarHBondContact O-N 2.88Å; V419-L422 PolarHBondContact O-N 3.48Å; L422-D457 PolarHBondContact O-N 3.49Å; L422-M472 HydrophobicContact CD1-CB 3.9Å; L422-M472 HydrophobicContact CD2-CB 4.11Å; L422-M472 HydrophobicContact CD2-CE 4.08Å; L422-F473 HydrophobicContact CB-CE1 3.83Å; L422-F473 HydrophobicContact CB-CE2 4.27Å; L422-F473 HydrophobicContact CB-CZ 3.55Å; L422-F473 HydrophobicContact CD1-CD1 3.87Å; L422-F473 HydrophobicContact CD1-CD2 4.28Å; L422-F473 HydrophobicContact CD1-CE1 3.79Å; L422-F473 HydrophobicContact CD1-CE2 4.22Å; L422-F473 HydrophobicContact CD1-CG 4.11Å; L422-F473 HydrophobicContact CD1-CZ 3.97Å; L422-F473 HydrophobicContact CG-CE1 4.47Å; L422-F473 HydrophobicContact CG-CZ 4.33Å
423	T	95.9	Very high	95.9	Very high	7 Å²	7	39 Å²	39	4%	0.043	20%	0.197	C	C	.	.	H	α-helix	trans	-94.2	-18.6	-173.8	64.6	0	0	0	0	114	V419 R425 W442 L455 F473	V419-T423 HydrophobicContact CG1-CG2 3.92Å; V419-T423 WeakPolarHBondContact O-CB 3.48Å; V419-T423 VanDerWaalsContact O-CG2 3.23Å; V419-T423 WeakPolarHBondContact O-CG2 3.43Å; V419-T423 PolarHBondContact O-N 3.26Å; V419-T423 PolarHBondContact O-OG1 3.28Å; T423-R425 PolarHBondContact O-N 2.9Å; T423-R425 PolarHBondContact OG1-N 2.88Å; T423-W442 HydrophobicContact CG2-CZ3 3.95Å; T423-L455 VanDerWaalsContact CA-O 3.27Å; T423-L455 WeakPolarHBondContact CA-O 3.22Å; T423-L455 WeakPolarHBondContact CB-O 3.4Å; T423-L455 VanDerWaalsContact CG2-O 3.29Å; T423-L455 WeakPolarHBondContact CG2-O 3.36Å; T423-F473 HydrophobicContact CG2-CE1 3.98Å; T423-F473 HydrophobicContact CG2-CZ 4.12Å
424	G	95.1	Very high	95.4	Very high	12 Å²	12	42.9 Å²	42.9	12%	0.124	22%	0.221	C	C	.	.			trans	71.9	-18.5	-169.9	0	0	0	0	0	114	R308 E420	R308-G424 PolarHBondContact NH1-O 3.09Å; R308-G424 PolarHBondContact NH2-O 3.03Å; E420-G424 VanDerWaalsContact O-CA 3.27Å; E420-G424 WeakPolarHBondContact O-CA 3.28Å; E420-G424 PolarHBondContact O-N 3.38Å
425	R	95.5	Very high	94.8	Very high	15 Å²	15	47.9 Å²	47.9	6%	0.057	25%	0.248	C	C	.	.			trans	-73.4	143.8	-176.7	-64.5	-175.3	65.3	-161.8	-12.2	111.5	E420 T423 E429 E436 T439	E420-R425 WeakPolarHBondContact CG-O 3.32Å; T423-R425 PolarHBondContact O-N 2.9Å; T423-R425 PolarHBondContact OG1-N 2.88Å; R425-E429 WeakPolarHBondContact CA-OE1 3.29Å; R425-E429 WeakPolarHBondContact CB-OE1 3.29Å; R425-E429 IonicContact CZ-OE2 2.68Å; R425-E429 VanDerWaalsContact CZ-OE2 3.23Å; R425-E429 IonicContact NE-OE1 3.52Å; R425-E429 IonicContact NE-OE2 3.13Å; R425-E429 PolarHBondContact NE-OE2 2.84Å; R425-E429 IonicContact NH2-OE2 3.23Å; R425-E429 PolarHBondContact NH2-OE2 3.28Å; R425-E436 PolarHBondContact NH2-O 3.22Å; R425-T439 HydrophobicContact CB-CG2 3.7Å
426	R	96.2	Very high	94.4	Very high	113 Å²	113	50 Å²	50	43%	0.426	26%	0.258	S	S	.	.			trans	-70.6	151.8	175.8	-71.4	171.2	172.3	-101.1	2	109.6	D312 V428 E429 T439	D312-R426 IonicContact OD1-NE 2.86Å; D312-R426 IonicContact OD1-NH2 3.94Å; D312-R426 IonicContact OD2-CZ 3.51Å; D312-R426 IonicContact OD2-NH2 3.77Å; D312-R426 PolarHBondContact OD2-NH2 3.46Å; R426-V428 PolarHBondContact O-N 2.66Å; R426-V428 VanDerWaalsContact O-N 3.14Å; R426-E429 HydrophobicContact CB-CG 4.11Å; R426-E429 PolarHBondContact N-OE1 2.9Å; R426-T439 WeakPolarHBondContact O-CB 3.43Å; R426-T439 PolarHBondContact O-OG1 2.81Å
427	P	96.1	Very high	94.2	Very high	14 Å²	14	55.1 Å²	55.1	9%	0.091	28%	0.277	C	S	.	.	S	Bend	trans	-57.8	-31.2	-177.6	-29.1	36.8	0	0	0	114.5	Y394 I416 T439	Y394-P427 HydrophobicContact CD1-CG 4.32Å; Y394-P427 HydrophobicContact CD2-CG 4.4Å; Y394-P427 HydrophobicContact CE1-CG 3.74Å; Y394-P427 HydrophobicContact CE2-CG 3.84Å; Y394-P427 VanDerWaalsContact CZ-CG 3.5Å; I416-P427 HydrophobicContact CG2-CB 3.69Å; I416-P427 HydrophobicContact CG2-CG 3.61Å; P427-T439 PolarHBondContact O-N 3.07Å
428	V	94.8	Very high	94	Very high	67 Å²	67	58.6 Å²	58.6	41%	0.406	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-129.2	124.9	174.3	-174.7	0	0	0	0	109.6	R426 R437 I438	R426-V428 PolarHBondContact O-N 2.66Å; R426-V428 VanDerWaalsContact O-N 3.14Å; V428-R437 CarbonylContact C-O 3.58Å; V428-R437 VanDerWaalsContact CA-O 3.3Å; V428-R437 WeakPolarHBondContact CA-O 3.47Å; V428-I438 HydrophobicContact CG1-CD1 4.22Å; V428-I438 HydrophobicContact CG2-CD1 3.97Å
429	E	93.2	Very high	93.9	Very high	40 Å²	40	58.6 Å²	58.6	19%	0.187	30%	0.295	C	S	.	.			trans	-127.3	87.2	-178.6	-70.8	-174.4	164.4	0	0	111.1	R425 R426 K431 R432 R437	R425-E429 WeakPolarHBondContact CA-OE1 3.29Å; R425-E429 WeakPolarHBondContact CB-OE1 3.29Å; R425-E429 IonicContact CZ-OE2 2.68Å; R425-E429 VanDerWaalsContact CZ-OE2 3.23Å; R425-E429 IonicContact NE-OE1 3.52Å; R425-E429 IonicContact NE-OE2 3.13Å; R425-E429 PolarHBondContact NE-OE2 2.84Å; R425-E429 IonicContact NH2-OE2 3.23Å; R425-E429 PolarHBondContact NH2-OE2 3.28Å; R426-E429 HydrophobicContact CB-CG 4.11Å; R426-E429 PolarHBondContact N-OE1 2.9Å; E429-K431 PolarHBondContact O-N 2.62Å; E429-R432 HydrophobicContact CB-CB 4.39Å; E429-R432 HydrophobicContact CB-CG 3.66Å; E429-R432 WeakPolarHBondContact O-CB 3.31Å; E429-R432 PolarHBondContact O-N 2.85Å; E429-R432 WeakPolarHBondContact OE2-CG 3.47Å; E429-R432 IonicContact OE2-CZ 2.74Å; E429-R432 IonicContact OE2-NE 2.69Å; E429-R432 PolarHBondContact OE2-NE 2.84Å; E429-R432 IonicContact OE2-NH2 3.98Å; E429-R437 PolarHBondContact N-O 3.42Å
430	A	88.9	Confident	93.8	Very high	79 Å²	79	59 Å²	59	65%	0.653	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-25	-174.2	0	0	0	0	0	115.2	R432 R437	A430-R432 VanDerWaalsContact C-N 3.27Å; A430-R432 PolarHBondContact O-N 2.79Å; A430-R437 PolarHBondContact O-NE 3.03Å
431	K	91.8	Very high	93.7	Very high	219 Å²	219	63 Å²	63	95%	0.952	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-8.7	178	-64	-173.8	179.2	-177.4	0	114.1	E429	E429-K431 PolarHBondContact O-N 2.62Å
432	R	91.3	Very high	93.6	Very high	100 Å²	100	64 Å²	64	38%	0.377	32%	0.316	S	S	.	.	S	Bend	trans	-82.9	162.4	178.3	-69	-86.6	-171.7	171.9	-7.9	111.7	E429 A430 E436 R437	E429-R432 HydrophobicContact CB-CB 4.39Å; E429-R432 HydrophobicContact CB-CG 3.66Å; E429-R432 WeakPolarHBondContact O-CB 3.31Å; E429-R432 PolarHBondContact O-N 2.85Å; E429-R432 WeakPolarHBondContact OE2-CG 3.47Å; E429-R432 IonicContact OE2-CZ 2.74Å; E429-R432 IonicContact OE2-NE 2.69Å; E429-R432 PolarHBondContact OE2-NE 2.84Å; E429-R432 IonicContact OE2-NH2 3.98Å; A430-R432 VanDerWaalsContact C-N 3.27Å; A430-R432 PolarHBondContact O-N 2.79Å; R432-E436 HydrophobicContact CB-CB 4.02Å; R432-E436 IonicContact CZ-OE2 2.74Å; R432-E436 IonicContact NH1-OE2 2.79Å; R432-E436 PolarHBondContact NH1-OE2 3.03Å; R432-E436 VanDerWaalsContact NH1-OE2 3.08Å; R432-R437 HydrophobicContact CB-CG 4.35Å; R432-R437 WeakPolarHBondContact O-CG 3.39Å; R432-R437 PolarHBondContact O-NE 3.45Å
433	L	91.6	Very high	93.6	Very high	125 Å²	125	63.8 Å²	63.8	65%	0.654	32%	0.315	S	S	*	.			trans	-51.1	144.1	168.2	-65.7	176.5	0	0	0	109.9	D435 E436 R437	L433-D435 PolarHBondContact O-N 3.38Å; L433-E436 HydrophobicContact CB-CG 4.4Å; L433-E436 WeakPolarHBondContact O-CA 3.28Å; L433-E436 PolarHBondContact O-N 2.81Å; L433-R437 WeakPolarHBondContact O-CG 3.47Å; L433-R437 PolarHBondContact O-N 3.5Å
434	P	87.6	Confident	93.6	Very high	86 Å²	86	63.8 Å²	63.8	56%	0.558	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-45.9	-44.3	-173.2	-31.4	36.5	0	0	0	114.1	E436 R437	P434-E436 VanDerWaalsContact C-N 3.34Å; P434-E436 PolarHBondContact O-N 2.85Å; P434-R437 PolarHBondContact O-N 3.37Å
435	D	86.8	Confident	93.6	Very high	108 Å²	108	66 Å²	66	58%	0.578	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-75.2	-19.3	-177.8	-65.4	-57.7	0	0	0	115.1	L433 R441	L433-D435 PolarHBondContact O-N 3.38Å; D435-R441 PolarHBondContact O-NH2 3.38Å; D435-R441 IonicContact OD1-CZ 3.85Å; D435-R441 IonicContact OD1-NH1 3.94Å; D435-R441 IonicContact OD1-NH2 2.82Å; D435-R441 PolarHBondContact OD1-NH2 2.75Å
436	E	90.6	Very high	93.6	Very high	44 Å²	44	66.7 Å²	66.7	21%	0.206	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-94.8	-3.8	175.8	-59.5	-152.5	143.3	0	0	113.7	R425 R432 L433 P434 I438 W442	R425-E436 PolarHBondContact NH2-O 3.22Å; R432-E436 HydrophobicContact CB-CB 4.02Å; R432-E436 IonicContact CZ-OE2 2.74Å; R432-E436 IonicContact NH1-OE2 2.79Å; R432-E436 PolarHBondContact NH1-OE2 3.03Å; R432-E436 VanDerWaalsContact NH1-OE2 3.08Å; L433-E436 HydrophobicContact CB-CG 4.4Å; L433-E436 WeakPolarHBondContact O-CA 3.28Å; L433-E436 PolarHBondContact O-N 2.81Å; P434-E436 VanDerWaalsContact C-N 3.34Å; P434-E436 PolarHBondContact O-N 2.85Å; E436-I438 VanDerWaalsContact C-N 3.31Å; E436-I438 PolarHBondContact O-N 3.11Å; E436-W442 HydrophobicContact CG-CG 4.5Å; E436-W442 PolarHBondContact OE1-NE1 2.93Å
437	R	93.1	Very high	93.7	Very high	112 Å²	112	62.7 Å²	62.7	42%	0.423	31%	0.312	S	S	.	.	S	Bend	trans	-65.2	-31.3	-174	-71.5	-178.6	179.5	169.8	-0.6	113.7	V428 E429 A430 R432 L433 P434	V428-R437 CarbonylContact C-O 3.58Å; V428-R437 VanDerWaalsContact CA-O 3.3Å; V428-R437 WeakPolarHBondContact CA-O 3.47Å; E429-R437 PolarHBondContact N-O 3.42Å; A430-R437 PolarHBondContact O-NE 3.03Å; R432-R437 HydrophobicContact CB-CG 4.35Å; R432-R437 WeakPolarHBondContact O-CG 3.39Å; R432-R437 PolarHBondContact O-NE 3.45Å; L433-R437 WeakPolarHBondContact O-CG 3.47Å; L433-R437 PolarHBondContact O-N 3.5Å; P434-R437 PolarHBondContact O-N 3.37Å
438	I	95.1	Very high	93.6	Very high	76 Å²	76	64.9 Å²	64.9	39%	0.39	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-101.5	101.8	178.5	-55.6	-57.5	0	0	0	108.1	V428 E436 V440 R441 W442	V428-I438 HydrophobicContact CG1-CD1 4.22Å; V428-I438 HydrophobicContact CG2-CD1 3.97Å; E436-I438 VanDerWaalsContact C-N 3.31Å; E436-I438 PolarHBondContact O-N 3.11Å; I438-V440 VanDerWaalsContact C-N 3.31Å; I438-V440 HydrophobicContact CG2-CG1 3.83Å; I438-V440 PolarHBondContact O-N 2.74Å; I438-R441 HydrophobicContact CB-CB 4.26Å; I438-R441 HydrophobicContact CG2-CB 4.19Å; I438-R441 PolarHBondContact O-N 2.82Å; I438-W442 PolarHBondContact O-N 2.81Å; I438-W442 VanDerWaalsContact O-N 3.12Å
439	T	96.8	Very high	93.7	Very high	1 Å²	1	67 Å²	67	1%	0.006	33%	0.329	C	S	.	.	H	α-helix	trans	-62.1	-35.2	-167.4	-64.9	0	0	0	0	112.8	V419 R425 R426 P427 R441 W442 A443	V419-T439 HydrophobicContact CG1-CG2 4Å; R425-T439 HydrophobicContact CB-CG2 3.7Å; R426-T439 WeakPolarHBondContact O-CB 3.43Å; R426-T439 PolarHBondContact O-OG1 2.81Å; P427-T439 PolarHBondContact O-N 3.07Å; T439-R441 PolarHBondContact O-N 3.29Å; T439-W442 HydrophobicContact CG2-CE3 4.37Å; T439-A443 WeakPolarHBondContact O-CB 3.42Å; T439-A443 PolarHBondContact O-N 2.86Å
440	V	96.4	Very high	93.7	Very high	12 Å²	12	66.5 Å²	66.5	7%	0.073	33%	0.334	C	S	.	.	H	α-helix	trans	-65.1	-36	175.3	62.6	0	0	0	0	112.8	I416 V419 I438 F444 F477 A480	I416-V440 HydrophobicContact CD1-CB 3.75Å; I416-V440 HydrophobicContact CD1-CG1 3.7Å; I416-V440 HydrophobicContact CD1-CG2 3.91Å; V419-V440 HydrophobicContact CG2-CG2 4.36Å; I438-V440 VanDerWaalsContact C-N 3.31Å; I438-V440 HydrophobicContact CG2-CG1 3.83Å; I438-V440 PolarHBondContact O-N 2.74Å; V440-F444 VanDerWaalsContact O-CB 3.3Å; V440-F444 WeakPolarHBondContact O-CB 3.47Å; V440-F444 PolarHBondContact O-N 3.08Å; V440-F477 HydrophobicContact CG2-CD1 4.29Å; V440-F477 HydrophobicContact CG2-CE1 4.41Å; V440-A480 HydrophobicContact CG2-CB 4.25Å
441	R	95.2	Very high	94	Very high	84 Å²	84	67.2 Å²	67.2	32%	0.317	32%	0.32	S	S	.	.	H	α-helix	trans	-70.3	-51.7	178.6	-161.3	-172.3	78.7	164.9	10.4	110.1	D435 I438 T439 A443 F444 D445	D435-R441 PolarHBondContact O-NH2 3.38Å; D435-R441 IonicContact OD1-CZ 3.85Å; D435-R441 IonicContact OD1-NH1 3.94Å; D435-R441 IonicContact OD1-NH2 2.82Å; D435-R441 PolarHBondContact OD1-NH2 2.75Å; I438-R441 HydrophobicContact CB-CB 4.26Å; I438-R441 HydrophobicContact CG2-CB 4.19Å; I438-R441 PolarHBondContact O-N 2.82Å; T439-R441 PolarHBondContact O-N 3.29Å; R441-A443 VanDerWaalsContact C-N 3.28Å; R441-A443 PolarHBondContact O-N 3.35Å; R441-F444 WeakPolarHBondContact O-CB 3.18Å; R441-F444 PolarHBondContact O-N 3.34Å; R441-D445 IonicContact NE-OD2 3.83Å; R441-D445 PolarHBondContact O-N 2.86Å
442	W	96.2	Very high	94.1	Very high	25 Å²	25	56.9 Å²	56.9	10%	0.095	27%	0.274	C	S	.	.	H	α-helix	trans	-52.4	-45.1	172.8	170.1	83.2	0	0	0	113	T423 E436 I438 T439 F444 D445 K446 L455	T423-W442 HydrophobicContact CG2-CZ3 3.95Å; E436-W442 HydrophobicContact CG-CG 4.5Å; E436-W442 PolarHBondContact OE1-NE1 2.93Å; I438-W442 PolarHBondContact O-N 2.81Å; I438-W442 VanDerWaalsContact O-N 3.12Å; T439-W442 HydrophobicContact CG2-CE3 4.37Å; W442-F444 VanDerWaalsContact C-N 3.33Å; W442-F444 PolarHBondContact O-N 2.65Å; W442-D445 PolarHBondContact O-N 2.86Å; W442-K446 HydrophobicContact CD2-CG 4.46Å; W442-K446 WeakPolarHBondContact O-CB 3.11Å; W442-K446 VanDerWaalsContact O-CG 3.22Å; W442-K446 WeakPolarHBondContact O-CG 3.21Å; W442-K446 PolarHBondContact O-N 3.4Å; W442-K446 VanDerWaalsContact O-N 3.12Å; W442-L455 HydrophobicContact CD2-CD2 4.3Å; W442-L455 HydrophobicContact CE3-CD2 3.81Å; W442-L455 HydrophobicContact CH2-CD2 3.57Å; W442-L455 HydrophobicContact CZ2-CD2 4.08Å; W442-L455 HydrophobicContact CZ3-CD2 3.43Å; W442-L455 VanDerWaalsContact CZ3-CD2 3.43Å
443	A	97.3	Very high	94.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.1	-40.2	178.7	0	0	0	0	0	111.8	V419 T439 R441 Y447 L455 F477	V419-A443 HydrophobicContact CG1-CB 3.79Å; T439-A443 WeakPolarHBondContact O-CB 3.42Å; T439-A443 PolarHBondContact O-N 2.86Å; R441-A443 VanDerWaalsContact C-N 3.28Å; R441-A443 PolarHBondContact O-N 3.35Å; A443-Y447 VanDerWaalsContact O-CB 3.24Å; A443-Y447 WeakPolarHBondContact O-CB 3.23Å; A443-Y447 PolarHBondContact O-N 3.06Å; A443-L455 HydrophobicContact CB-CD1 4.4Å; A443-L455 HydrophobicContact CB-CD2 4.13Å; A443-L455 WeakPolarHBondContact O-CD1 3.16Å; A443-F477 VanDerWaalsContact C-CZ 3.48Å; A443-F477 HydrophobicContact CB-CE1 3.98Å; A443-F477 HydrophobicContact CB-CZ 3.93Å; A443-F477 WeakPolarHBondContact O-CZ 3.44Å
444	F	96.4	Very high	94.2	Very high	8 Å²	8	56.2 Å²	56.2	4%	0.035	27%	0.271	C	S	.	.	H	α-helix	trans	-67	-41.5	177.7	-176.4	-101.7	0	0	0	112.5	I94 L97 V440 R441 W442 Y447 N448 F477	I94-F444 HydrophobicContact CB-CE2 4.02Å; I94-F444 HydrophobicContact CB-CZ 4.33Å; I94-F444 HydrophobicContact CG2-CE2 3.63Å; I94-F444 HydrophobicContact CG2-CZ 3.89Å; I94-F444 WeakPolarHBondContact O-CZ 3.38Å; L97-F444 HydrophobicContact CD1-CB 3.97Å; L97-F444 HydrophobicContact CD1-CD1 4.03Å; L97-F444 HydrophobicContact CD1-CD2 3.62Å; L97-F444 HydrophobicContact CD1-CE1 4.45Å; L97-F444 HydrophobicContact CD1-CE2 4.09Å; L97-F444 HydrophobicContact CD1-CG 3.58Å; L97-F444 HydrophobicContact CD1-CZ 4.49Å; V440-F444 VanDerWaalsContact O-CB 3.3Å; V440-F444 WeakPolarHBondContact O-CB 3.47Å; V440-F444 PolarHBondContact O-N 3.08Å; R441-F444 WeakPolarHBondContact O-CB 3.18Å; R441-F444 PolarHBondContact O-N 3.34Å; W442-F444 VanDerWaalsContact C-N 3.33Å; W442-F444 PolarHBondContact O-N 2.65Å; F444-Y447 PolarHBondContact O-N 2.85Å; F444-N448 WeakPolarHBondContact CD1-ND2 3.4Å; F444-N448 WeakPolarHBondContact CE1-ND2 3.42Å; F444-N448 WeakPolarHBondContact CZ-ND2 3.36Å; F444-N448 PolarHBondContact O-N 3.14Å; F444-N448 PolarHBondContact O-ND2 3.13Å; F444-F477 HydrophobicContact CB-CD1 4.22Å; F444-F477 HydrophobicContact CB-CE1 3.9Å; F444-F477 HydrophobicContact CB-CZ 4.14Å; F444-F477 HydrophobicContact CD2-CB 4.24Å; F444-F477 HydrophobicContact CD2-CD1 4.05Å; F444-F477 AromaticContact CD2-CD2 3.87Å; F444-F477 HydrophobicContact CD2-CD2 3.87Å; F444-F477 HydrophobicContact CD2-CE1 4.39Å; F444-F477 HydrophobicContact CD2-CE2 4.23Å; F444-F477 AromaticContact CD2-CG 3.8Å; F444-F477 HydrophobicContact CD2-CG 3.8Å; F444-F477 HydrophobicContact CD2-CZ 4.49Å
445	D	95.5	Very high	94.5	Very high	59 Å²	59	52.2 Å²	52.2	32%	0.316	25%	0.245	S	C	.	.	H	α-helix	trans	-63	-53.3	179.1	-60.4	-30.1	0	0	0	110.3	R441 W442 Y447 N448 E449	R441-D445 IonicContact NE-OD2 3.83Å; R441-D445 PolarHBondContact O-N 2.86Å; W442-D445 PolarHBondContact O-N 2.86Å; D445-Y447 VanDerWaalsContact C-N 3.3Å; D445-Y447 PolarHBondContact O-N 2.91Å; D445-N448 PolarHBondContact O-N 2.94Å; D445-N448 VanDerWaalsContact O-N 3.1Å; D445-E449 WeakPolarHBondContact O-CG 3.43Å; D445-E449 PolarHBondContact O-N 2.92Å
446	K	95.4	Very high	94.8	Very high	28 Å²	28	48.5 Å²	48.5	12%	0.122	23%	0.226	C	C	.	.	H	α-helix	trans	-56.9	-38.1	174.5	-68.1	-76.4	-174.6	174.1	0	113.5	W442 E449 G450 R451 E454 L455	W442-K446 HydrophobicContact CD2-CG 4.46Å; W442-K446 WeakPolarHBondContact O-CB 3.11Å; W442-K446 VanDerWaalsContact O-CG 3.22Å; W442-K446 WeakPolarHBondContact O-CG 3.21Å; W442-K446 PolarHBondContact O-N 3.4Å; W442-K446 VanDerWaalsContact O-N 3.12Å; K446-E449 PolarHBondContact O-N 2.73Å; K446-G450 PolarHBondContact O-N 3.14Å; K446-R451 VanDerWaalsContact NZ-CZ 3.3Å; K446-R451 VanDerWaalsContact NZ-NH2 3.11Å; K446-R451 PolarHBondContact O-N 2.87Å; K446-E454 IonicContact NZ-OE2 3.67Å; K446-E454 PolarHBondContact NZ-OE2 3.16Å; K446-L455 HydrophobicContact CB-CD1 4.22Å; K446-L455 HydrophobicContact CB-CD2 3.59Å; K446-L455 HydrophobicContact CB-CG 4.02Å; K446-L455 HydrophobicContact CG-CD2 3.85Å
447	Y	96.9	Very high	95	Very high	30 Å²	30	46.7 Å²	46.7	12%	0.118	22%	0.218	C	C	.	.	H	α-helix	trans	-63.9	-42.9	176.6	172.1	-89.8	0	0	0	111.5	A443 F444 D445 G450 V452 R470 F473 F477	A443-Y447 VanDerWaalsContact O-CB 3.24Å; A443-Y447 WeakPolarHBondContact O-CB 3.23Å; A443-Y447 PolarHBondContact O-N 3.06Å; F444-Y447 PolarHBondContact O-N 2.85Å; D445-Y447 VanDerWaalsContact C-N 3.3Å; D445-Y447 PolarHBondContact O-N 2.91Å; Y447-G450 WeakPolarHBondContact O-CA 3.47Å; Y447-G450 PolarHBondContact O-N 2.86Å; Y447-V452 HydrophobicContact CD2-CG2 3.82Å; Y447-V452 HydrophobicContact CE2-CG2 4.45Å; Y447-R470 HydrophobicContact CE2-CB 4.34Å; Y447-R470 HydrophobicContact CE2-CG 4.26Å; Y447-F473 HydrophobicContact CD2-CB 3.92Å; Y447-F473 HydrophobicContact CE2-CB 4.24Å; Y447-F477 HydrophobicContact CD1-CD2 4.31Å; Y447-F477 AromaticContact CD1-CE2 4Å; Y447-F477 HydrophobicContact CD1-CE2 4Å; Y447-F477 AromaticContact CD2-CE2 3.97Å; Y447-F477 HydrophobicContact CD2-CE2 3.97Å; Y447-F477 HydrophobicContact CG-CD2 4.33Å; Y447-F477 AromaticContact CG-CE2 3.61Å; Y447-F477 HydrophobicContact CG-CE2 3.61Å
448	N	95.4	Very high	94.8	Very high	60 Å²	60	47 Å²	47	32%	0.321	23%	0.234	S	C	.	.	H	α-helix	trans	-67.6	-34.4	176.3	-80.4	-72.5	0	0	0	112.8	K66 F444 D445 G450	K66-N448 PolarHBondContact NZ-OD1 2.88Å; F444-N448 WeakPolarHBondContact CD1-ND2 3.4Å; F444-N448 WeakPolarHBondContact CE1-ND2 3.42Å; F444-N448 WeakPolarHBondContact CZ-ND2 3.36Å; F444-N448 PolarHBondContact O-N 3.14Å; F444-N448 PolarHBondContact O-ND2 3.13Å; D445-N448 PolarHBondContact O-N 2.94Å; D445-N448 VanDerWaalsContact O-N 3.1Å; N448-G450 PolarHBondContact O-N 3.39Å
449	E	95.6	Very high	94.3	Very high	112 Å²	112	45.8 Å²	45.8	52%	0.523	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-6.5	169.5	-64.1	170.2	161.3	0	0	113.1	D445 K446 R451	D445-E449 WeakPolarHBondContact O-CG 3.43Å; D445-E449 PolarHBondContact O-N 2.92Å; K446-E449 PolarHBondContact O-N 2.73Å; E449-R451 VanDerWaalsContact C-N 3.31Å; E449-R451 HydrophobicContact CB-CG 3.99Å; E449-R451 PolarHBondContact O-N 2.81Å; E449-R451 IonicContact OE1-NH2 3.45Å; E449-R451 IonicContact OE2-CZ 3.19Å; E449-R451 IonicContact OE2-NE 3.86Å; E449-R451 PolarHBondContact OE2-NE 2.67Å; E449-R451 IonicContact OE2-NH2 2.67Å; E449-R451 PolarHBondContact OE2-NH2 3.31Å
450	G	93.9	Very high	93.6	Very high	28 Å²	28	46.2 Å²	46.2	29%	0.289	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	0.6	-178.3	0	0	0	0	0	114.8	K446 Y447 N448 V452 R470	K446-G450 PolarHBondContact O-N 3.14Å; Y447-G450 WeakPolarHBondContact O-CA 3.47Å; Y447-G450 PolarHBondContact O-N 2.86Å; N448-G450 PolarHBondContact O-N 3.39Å; G450-V452 PolarHBondContact O-N 3.32Å; G450-R470 PolarHBondContact O-NH2 3.23Å
451	R	94.4	Very high	92.3	Very high	95 Å²	95	55.9 Å²	55.9	36%	0.358	27%	0.267	S	S	.	.			trans	-86.3	47.6	-169.8	-53.6	-165.6	-62.7	161.1	-25.1	113.3	K446 E449 F453 E454	K446-R451 VanDerWaalsContact NZ-CZ 3.3Å; K446-R451 VanDerWaalsContact NZ-NH2 3.11Å; K446-R451 PolarHBondContact O-N 2.87Å; E449-R451 VanDerWaalsContact C-N 3.31Å; E449-R451 HydrophobicContact CB-CG 3.99Å; E449-R451 PolarHBondContact O-N 2.81Å; E449-R451 IonicContact OE1-NH2 3.45Å; E449-R451 IonicContact OE2-CZ 3.19Å; E449-R451 IonicContact OE2-NE 3.86Å; E449-R451 PolarHBondContact OE2-NE 2.67Å; E449-R451 IonicContact OE2-NH2 2.67Å; E449-R451 PolarHBondContact OE2-NH2 3.31Å; R451-F453 VanDerWaalsContact C-N 3.31Å; R451-F453 PolarHBondContact O-N 3.36Å; R451-E454 HydrophobicContact CB-CG 4.24Å; R451-E454 VanDerWaalsContact CD-OE1 3.28Å; R451-E454 WeakPolarHBondContact CD-OE1 3.39Å; R451-E454 IonicContact CZ-OE1 3.12Å; R451-E454 IonicContact CZ-OE2 3.13Å; R451-E454 IonicContact NE-OE1 2.74Å; R451-E454 IonicContact NE-OE2 2.67Å; R451-E454 VanDerWaalsContact NH1-CD 3.35Å; R451-E454 IonicContact NH1-OE1 3.7Å; R451-E454 PolarHBondContact NH1-OE1 3.35Å; R451-E454 IonicContact NH1-OE2 2.72Å; R451-E454 PolarHBondContact NH1-OE2 3.28Å; R451-E454 VanDerWaalsContact NH1-OE2 3.09Å; R451-E454 WeakPolarHBondContact O-CB 3.43Å; R451-E454 PolarHBondContact O-N 3.48Å; R451-E454 VanDerWaalsContact O-N 3.11Å
452	V	93.8	Very high	91.5	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-65.8	-30.4	-168.7	-178.4	0	0	0	0	113.1	Y447 G450 E454 L455 L469 R470 F473	Y447-V452 HydrophobicContact CD2-CG2 3.82Å; Y447-V452 HydrophobicContact CE2-CG2 4.45Å; G450-V452 PolarHBondContact O-N 3.32Å; V452-E454 VanDerWaalsContact C-N 3.31Å; V452-E454 PolarHBondContact O-N 3.05Å; V452-L455 WeakPolarHBondContact O-CB 3.44Å; V452-L455 PolarHBondContact O-N 3.19Å; V452-L455 VanDerWaalsContact O-N 3.17Å; V452-L469 HydrophobicContact CG1-CB 3.7Å; V452-R470 HydrophobicContact CB-CG 4.47Å; V452-R470 HydrophobicContact CG1-CG 4.35Å; V452-R470 HydrophobicContact CG2-CG 3.92Å; V452-F473 HydrophobicContact CG1-CD2 3.76Å; V452-F473 HydrophobicContact CG1-CE2 4.15Å
453	F	92.2	Very high	90.8	Very high	117 Å²	117	65.7 Å²	65.7	51%	0.513	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-66	-29.1	174.9	-73.6	-66.7	0	0	0	113.6	R451 L455 V456 V464 E466 L469	R451-F453 VanDerWaalsContact C-N 3.31Å; R451-F453 PolarHBondContact O-N 3.36Å; F453-L455 PolarHBondContact O-N 3.01Å; F453-V456 PolarHBondContact O-N 3.15Å; F453-V464 WeakPolarHBondContact CE1-O 3.32Å; F453-E466 HydrophobicContact CD2-CG 4.2Å; F453-E466 HydrophobicContact CE2-CB 3.75Å; F453-E466 HydrophobicContact CE2-CG 3.58Å; F453-E466 WeakPolarHBondContact CE2-OE2 3.43Å; F453-E466 HydrophobicContact CZ-CB 3.61Å; F453-E466 HydrophobicContact CZ-CG 3.9Å; F453-L469 HydrophobicContact CD1-CD1 3.69Å; F453-L469 HydrophobicContact CE1-CD1 3.64Å
454	E	93.3	Very high	90.4	Very high	95 Å²	95	66.3 Å²	66.3	44%	0.444	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-67.3	-15.2	174.9	-63	-175.7	-155.9	0	0	112.9	K446 R451 V452	K446-E454 IonicContact NZ-OE2 3.67Å; K446-E454 PolarHBondContact NZ-OE2 3.16Å; R451-E454 HydrophobicContact CB-CG 4.24Å; R451-E454 VanDerWaalsContact CD-OE1 3.28Å; R451-E454 WeakPolarHBondContact CD-OE1 3.39Å; R451-E454 IonicContact CZ-OE1 3.12Å; R451-E454 IonicContact CZ-OE2 3.13Å; R451-E454 IonicContact NE-OE1 2.74Å; R451-E454 IonicContact NE-OE2 2.67Å; R451-E454 VanDerWaalsContact NH1-CD 3.35Å; R451-E454 IonicContact NH1-OE1 3.7Å; R451-E454 PolarHBondContact NH1-OE1 3.35Å; R451-E454 IonicContact NH1-OE2 2.72Å; R451-E454 PolarHBondContact NH1-OE2 3.28Å; R451-E454 VanDerWaalsContact NH1-OE2 3.09Å; R451-E454 WeakPolarHBondContact O-CB 3.43Å; R451-E454 PolarHBondContact O-N 3.48Å; R451-E454 VanDerWaalsContact O-N 3.11Å; V452-E454 VanDerWaalsContact C-N 3.31Å; V452-E454 PolarHBondContact O-N 3.05Å
455	L	94.6	Very high	90.1	Very high	2 Å²	2	68.4 Å²	68.4	1%	0.01	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-86	-23.2	-179.9	-60.9	179.9	0	0	0	113.8	T423 W442 A443 K446 V452 F453 D457 F473	T423-L455 VanDerWaalsContact CA-O 3.27Å; T423-L455 WeakPolarHBondContact CA-O 3.22Å; T423-L455 WeakPolarHBondContact CB-O 3.4Å; T423-L455 VanDerWaalsContact CG2-O 3.29Å; T423-L455 WeakPolarHBondContact CG2-O 3.36Å; W442-L455 HydrophobicContact CD2-CD2 4.3Å; W442-L455 HydrophobicContact CE3-CD2 3.81Å; W442-L455 HydrophobicContact CH2-CD2 3.57Å; W442-L455 HydrophobicContact CZ2-CD2 4.08Å; W442-L455 HydrophobicContact CZ3-CD2 3.43Å; W442-L455 VanDerWaalsContact CZ3-CD2 3.43Å; A443-L455 HydrophobicContact CB-CD1 4.4Å; A443-L455 HydrophobicContact CB-CD2 4.13Å; A443-L455 WeakPolarHBondContact O-CD1 3.16Å; K446-L455 HydrophobicContact CB-CD1 4.22Å; K446-L455 HydrophobicContact CB-CD2 3.59Å; K446-L455 HydrophobicContact CB-CG 4.02Å; K446-L455 HydrophobicContact CG-CD2 3.85Å; V452-L455 WeakPolarHBondContact O-CB 3.44Å; V452-L455 PolarHBondContact O-N 3.19Å; V452-L455 VanDerWaalsContact O-N 3.17Å; F453-L455 PolarHBondContact O-N 3.01Å; L455-D457 PolarHBondContact O-N 2.96Å; L455-F473 HydrophobicContact CB-CE1 4.06Å; L455-F473 HydrophobicContact CB-CE2 3.73Å; L455-F473 HydrophobicContact CB-CZ 3.38Å; L455-F473 HydrophobicContact CD1-CD1 4.16Å; L455-F473 HydrophobicContact CD1-CD2 4.24Å; L455-F473 HydrophobicContact CD1-CE1 4.01Å; L455-F473 HydrophobicContact CD1-CE2 4.1Å; L455-F473 HydrophobicContact CD1-CG 4.29Å; L455-F473 HydrophobicContact CD1-CZ 3.99Å; L455-F473 HydrophobicContact CG-CZ 4.32Å
456	V	93.5	Very high	90	Very high	30 Å²	30	69 Å²	69	18%	0.182	32%	0.323	C	S	.	.	S	Bend	trans	-73.2	132.4	-173.9	-174.4	0	0	0	0	109.2	F453 P458 A460 L469	F453-V456 PolarHBondContact O-N 3.15Å; V456-P458 VanDerWaalsContact O-CD 3.28Å; V456-P458 WeakPolarHBondContact O-CD 3.22Å; V456-P458 VanDerWaalsContact O-N 3.15Å; V456-A460 HydrophobicContact CG1-CB 4.25Å; V456-L469 HydrophobicContact CG2-CD1 3.56Å; V456-L469 HydrophobicContact CG2-CD2 3.65Å; V456-L469 HydrophobicContact CG2-CG 4.2Å
457	D	93.3	Very high	90	Very high	6 Å²	6	73.9 Å²	73.9	3%	0.032	34%	0.344	C	S	.	.			trans	-51.3	118.5	171.3	-177.2	-5.1	0	0	0	110.3	R324 L422 L455 N459 A460	R324-D457 IonicContact CZ-OD2 3.75Å; R324-D457 VanDerWaalsContact NH1-CB 3.35Å; R324-D457 IonicContact NH1-OD2 3.38Å; R324-D457 PolarHBondContact NH1-OD2 3.13Å; R324-D457 IonicContact NH2-OD2 3.63Å; R324-D457 PolarHBondContact NH2-OD2 2.86Å; L422-D457 PolarHBondContact O-N 3.49Å; L455-D457 PolarHBondContact O-N 2.96Å; D457-N459 PolarHBondContact O-N 2.93Å; D457-N459 WeakPolarHBondContact OD1-CB 3.21Å; D457-N459 PolarHBondContact OD1-N 3.15Å; D457-N459 PolarHBondContact OD1-ND2 3.46Å; D457-A460 WeakPolarHBondContact O-CB 3.39Å; D457-A460 PolarHBondContact O-N 3.01Å
458	P	88.9	Confident	89.9	Confident	119 Å²	119	72.6 Å²	72.6	77%	0.773	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-15.3	177.8	-25.7	35.6	0	0	0	114	V456	V456-P458 VanDerWaalsContact O-CD 3.28Å; V456-P458 WeakPolarHBondContact O-CD 3.22Å; V456-P458 VanDerWaalsContact O-N 3.15Å
459	N	85.3	Confident	89.9	Confident	50 Å²	50	69.8 Å²	69.8	27%	0.267	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-15.2	175.2	-58.7	-64.6	0	0	0	114	K318 D457 R461	K318-N459 HydrophobicContact CB-CB 4.24Å; K318-N459 HydrophobicContact CD-CB 3.8Å; K318-N459 WeakPolarHBondContact CD-OD1 3.29Å; K318-N459 WeakPolarHBondContact CE-OD1 3.43Å; K318-N459 HydrophobicContact CG-CB 4.12Å; K318-N459 PolarHBondContact NZ-OD1 2.65Å; D457-N459 PolarHBondContact O-N 2.93Å; D457-N459 WeakPolarHBondContact OD1-CB 3.21Å; D457-N459 PolarHBondContact OD1-N 3.15Å; D457-N459 PolarHBondContact OD1-ND2 3.46Å; N459-R461 VanDerWaalsContact C-N 3.28Å; N459-R461 PolarHBondContact O-N 2.92Å
460	A	81.8	Confident	90	Very high	10 Å²	10	67.9 Å²	67.9	8%	0.083	31%	0.312	C	S	.	.			trans	-76.2	81.6	169	0	0	0	0	0	108.8	V456 D457 E462	V456-A460 HydrophobicContact CG1-CB 4.25Å; D457-A460 WeakPolarHBondContact O-CB 3.39Å; D457-A460 PolarHBondContact O-N 3.01Å; A460-E462 PolarHBondContact O-N 3.41Å
461	R	68.9	Low	90.1	Very high	214 Å²	214	71.5 Å²	71.5	81%	0.808	32%	0.32	S	S	*	.			trans	-68.8	30.6	-170.8	-67.3	179.8	172.3	-179.2	-3.5	115.8	N459	N459-R461 VanDerWaalsContact C-N 3.28Å; N459-R461 PolarHBondContact O-N 2.92Å
462	E	78.8	Confident	90.3	Very high	62 Å²	62	67 Å²	67	29%	0.29	30%	0.303	S	S	.	.	S	Bend	trans	-117.1	138.8	-179.8	-73.6	176.4	165.3	0	0	110.6	N320 F321 N322 A460 V464 Y504	N320-E462 VanDerWaalsContact CB-CD 3.47Å; N320-E462 HydrophobicContact CB-CG 4.07Å; N320-E462 WeakPolarHBondContact CB-OE1 3.42Å; N320-E462 PolarHBondContact ND2-OE1 2.82Å; F321-E462 WeakPolarHBondContact CA-OE2 3.45Å; F321-E462 HydrophobicContact CB-CB 4.31Å; F321-E462 WeakPolarHBondContact CB-OE2 3.27Å; F321-E462 PolarHBondContact N-OE2 2.78Å; N322-E462 PolarHBondContact N-OE2 3.19Å; A460-E462 PolarHBondContact O-N 3.41Å; E462-V464 HydrophobicContact CB-CG2 4.43Å; E462-V464 PolarHBondContact O-N 3.31Å; E462-Y504 PolarHBondContact OE2-OH 3.02Å
463	R	82.4	Confident	90.5	Very high	254 Å²	254	67 Å²	67	96%	0.958	30%	0.303	S	S	*	.			trans	-72.3	112	167.2	-70.7	-176.8	177.4	178.2	-0.8	107.7
464	V	87.6	Confident	90.8	Very high	12 Å²	12	62 Å²	62	7%	0.073	28%	0.283	C	S	.	.			trans	-108	132.4	177.4	-170.9	0	0	0	0	108.6	F321 F453 E462 E466 I468 L469	F321-V464 HydrophobicContact CB-CG2 3.56Å; F321-V464 HydrophobicContact CD1-CG1 3.99Å; F321-V464 HydrophobicContact CD1-CG2 3.79Å; F321-V464 HydrophobicContact CD2-CG1 4.26Å; F321-V464 HydrophobicContact CD2-CG2 3.73Å; F321-V464 HydrophobicContact CE1-CG1 3.79Å; F321-V464 HydrophobicContact CE1-CG2 4.42Å; F321-V464 HydrophobicContact CE2-CG1 4.07Å; F321-V464 HydrophobicContact CE2-CG2 4.36Å; F321-V464 HydrophobicContact CG-CB 4.47Å; F321-V464 HydrophobicContact CG-CG1 4.22Å; F321-V464 HydrophobicContact CG-CG2 3.39Å; F321-V464 HydrophobicContact CZ-CG1 3.83Å; F453-V464 WeakPolarHBondContact CE1-O 3.32Å; E462-V464 HydrophobicContact CB-CG2 4.43Å; E462-V464 PolarHBondContact O-N 3.31Å; V464-E466 PolarHBondContact O-N 3.2Å; V464-I468 HydrophobicContact CG1-CB 4.01Å; V464-I468 HydrophobicContact CG1-CG2 3.89Å; V464-L469 HydrophobicContact CB-CD1 4.32Å; V464-L469 HydrophobicContact CB-CD2 3.92Å; V464-L469 HydrophobicContact CB-CG 4.04Å; V464-L469 HydrophobicContact CG1-CD2 3.69Å; V464-L469 HydrophobicContact CG1-CG 3.79Å; V464-L469 HydrophobicContact CG2-CD2 4.48Å
465	D	91.5	Very high	91	Very high	52 Å²	52	57.4 Å²	57.4	28%	0.278	26%	0.261	S	S	.	.			trans	-59.5	134.8	175.2	179.4	-77	0	0	0	111.5	K467 I468 L469 R507	D465-K467 PolarHBondContact O-N 3.46Å; D465-K467 VanDerWaalsContact O-N 3.16Å; D465-K467 WeakPolarHBondContact OD1-CA 3.35Å; D465-K467 WeakPolarHBondContact OD1-CB 3.27Å; D465-K467 WeakPolarHBondContact OD1-CG 3.26Å; D465-K467 PolarHBondContact OD1-N 3.44Å; D465-I468 HydrophobicContact CB-CG1 4.03Å; D465-I468 WeakPolarHBondContact O-CA 3.17Å; D465-I468 WeakPolarHBondContact O-CB 3.37Å; D465-I468 PolarHBondContact O-N 2.96Å; D465-L469 PolarHBondContact O-N 2.9Å; D465-L469 VanDerWaalsContact O-N 3.13Å; D465-R507 IonicContact OD1-NH1 3.8Å; D465-R507 IonicContact OD2-CZ 3.77Å; D465-R507 IonicContact OD2-NE 2.72Å; D465-R507 IonicContact OD2-NH1 2.68Å; D465-R507 PolarHBondContact OD2-NH1 3.37Å
466	E	92.9	Very high	91.2	Very high	72 Å²	72	57.3 Å²	57.3	34%	0.336	26%	0.261	S	S	.	.	H	α-helix	trans	-57.8	-32.9	-175.9	-159.9	-169.7	127.9	0	0	112.9	F453 V464 I468 L469 R470	F453-E466 HydrophobicContact CD2-CG 4.2Å; F453-E466 HydrophobicContact CE2-CB 3.75Å; F453-E466 HydrophobicContact CE2-CG 3.58Å; F453-E466 WeakPolarHBondContact CE2-OE2 3.43Å; F453-E466 HydrophobicContact CZ-CB 3.61Å; F453-E466 HydrophobicContact CZ-CG 3.9Å; V464-E466 PolarHBondContact O-N 3.2Å; E466-I468 VanDerWaalsContact C-N 3.32Å; E466-I468 PolarHBondContact O-N 2.74Å; E466-L469 PolarHBondContact O-N 3.14Å; E466-R470 WeakPolarHBondContact O-CB 3.32Å; E466-R470 WeakPolarHBondContact O-CG 3.41Å; E466-R470 PolarHBondContact O-N 3.11Å; E466-R470 IonicContact OE1-CZ 2.72Å; E466-R470 IonicContact OE1-NE 3.61Å; E466-R470 PolarHBondContact OE1-NE 3.4Å; E466-R470 IonicContact OE1-NH2 3.34Å; E466-R470 PolarHBondContact OE1-NH2 3.04Å
467	K	94.4	Very high	91.5	Very high	131 Å²	131	56 Å²	56	57%	0.57	25%	0.252	S	S	*	.	H	α-helix	trans	-69.8	-31.6	178.1	-52.2	177.5	179.5	-179.1	0	111.2	D465 K471	D465-K467 PolarHBondContact O-N 3.46Å; D465-K467 VanDerWaalsContact O-N 3.16Å; D465-K467 WeakPolarHBondContact OD1-CA 3.35Å; D465-K467 WeakPolarHBondContact OD1-CB 3.27Å; D465-K467 WeakPolarHBondContact OD1-CG 3.26Å; D465-K467 PolarHBondContact OD1-N 3.44Å; K467-K471 VanDerWaalsContact O-CG 3.28Å; K467-K471 WeakPolarHBondContact O-CG 3.03Å; K467-K471 PolarHBondContact O-N 3.34Å; K467-K471 VanDerWaalsContact O-N 3.14Å
468	I	95.4	Very high	91.7	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-69.3	-46.4	173.2	-59.8	-61.4	0	0	0	109.9	F321 V464 D465 E466 R470 K471 M472 I500 S503 Y504	F321-I468 HydrophobicContact CE1-CG2 3.83Å; F321-I468 HydrophobicContact CZ-CG2 3.75Å; V464-I468 HydrophobicContact CG1-CB 4.01Å; V464-I468 HydrophobicContact CG1-CG2 3.89Å; D465-I468 HydrophobicContact CB-CG1 4.03Å; D465-I468 WeakPolarHBondContact O-CA 3.17Å; D465-I468 WeakPolarHBondContact O-CB 3.37Å; D465-I468 PolarHBondContact O-N 2.96Å; E466-I468 VanDerWaalsContact C-N 3.32Å; E466-I468 PolarHBondContact O-N 2.74Å; I468-R470 PolarHBondContact O-N 2.82Å; I468-K471 PolarHBondContact O-N 3.41Å; I468-M472 WeakPolarHBondContact O-CG 3.41Å; I468-M472 PolarHBondContact O-N 3.07Å; I468-I500 HydrophobicContact CG2-CG2 4.06Å; I468-S503 VanDerWaalsContact CD1-CB 3.48Å; I468-Y504 HydrophobicContact CG2-CD2 4.27Å
469	L	95.4	Very high	92.2	Very high	2 Å²	2	52 Å²	52	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-60.1	-46.4	175.9	-63.4	174.1	0	0	0	111.8	F321 V452 F453 V456 V464 D465 E466 K471 M472 F473	F321-L469 HydrophobicContact CD2-CD2 4.38Å; F321-L469 HydrophobicContact CE2-CD2 3.87Å; V452-L469 HydrophobicContact CG1-CB 3.7Å; F453-L469 HydrophobicContact CD1-CD1 3.69Å; F453-L469 HydrophobicContact CE1-CD1 3.64Å; V456-L469 HydrophobicContact CG2-CD1 3.56Å; V456-L469 HydrophobicContact CG2-CD2 3.65Å; V456-L469 HydrophobicContact CG2-CG 4.2Å; V464-L469 HydrophobicContact CB-CD1 4.32Å; V464-L469 HydrophobicContact CB-CD2 3.92Å; V464-L469 HydrophobicContact CB-CG 4.04Å; V464-L469 HydrophobicContact CG1-CD2 3.69Å; V464-L469 HydrophobicContact CG1-CG 3.79Å; V464-L469 HydrophobicContact CG2-CD2 4.48Å; D465-L469 PolarHBondContact O-N 2.9Å; D465-L469 VanDerWaalsContact O-N 3.13Å; E466-L469 PolarHBondContact O-N 3.14Å; L469-K471 PolarHBondContact O-N 2.83Å; L469-M472 PolarHBondContact O-N 3.36Å; L469-F473 WeakPolarHBondContact O-CD2 3.35Å; L469-F473 PolarHBondContact O-N 2.95Å
470	R	96.8	Very high	92.8	Very high	72 Å²	72	49.6 Å²	49.6	27%	0.272	21%	0.21	S	C	.	.	H	α-helix	trans	-57.3	-44.8	176.8	-79.6	178.8	-175.3	-70.1	-5.1	112.4	Y447 G450 V452 E466 I468 S474	Y447-R470 HydrophobicContact CE2-CB 4.34Å; Y447-R470 HydrophobicContact CE2-CG 4.26Å; G450-R470 PolarHBondContact O-NH2 3.23Å; V452-R470 HydrophobicContact CB-CG 4.47Å; V452-R470 HydrophobicContact CG1-CG 4.35Å; V452-R470 HydrophobicContact CG2-CG 3.92Å; E466-R470 WeakPolarHBondContact O-CB 3.32Å; E466-R470 WeakPolarHBondContact O-CG 3.41Å; E466-R470 PolarHBondContact O-N 3.11Å; E466-R470 IonicContact OE1-CZ 2.72Å; E466-R470 IonicContact OE1-NE 3.61Å; E466-R470 PolarHBondContact OE1-NE 3.4Å; E466-R470 IonicContact OE1-NH2 3.34Å; E466-R470 PolarHBondContact OE1-NH2 3.04Å; I468-R470 PolarHBondContact O-N 2.82Å; R470-S474 WeakPolarHBondContact O-CB 3.31Å; R470-S474 PolarHBondContact O-N 3.42Å
471	K	97.6	Very high	93.6	Very high	103 Å²	103	49.2 Å²	49.2	45%	0.448	21%	0.207	S	C	.	.	H	α-helix	trans	-63.6	-42.3	175.9	-72.2	176.3	179.6	-169.2	0	112.4	K467 I468 L469 L475 I500	K467-K471 VanDerWaalsContact O-CG 3.28Å; K467-K471 WeakPolarHBondContact O-CG 3.03Å; K467-K471 PolarHBondContact O-N 3.34Å; K467-K471 VanDerWaalsContact O-N 3.14Å; I468-K471 PolarHBondContact O-N 3.41Å; L469-K471 PolarHBondContact O-N 2.83Å; K471-L475 WeakPolarHBondContact O-CB 3.32Å; K471-L475 PolarHBondContact O-N 2.77Å; K471-I500 HydrophobicContact CB-CD1 3.81Å; K471-I500 HydrophobicContact CB-CG1 3.77Å; K471-I500 HydrophobicContact CD-CG1 4.17Å
472	M	97.9	Very high	94.7	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-46.4	178	-73.4	-68.6	-80.6	0	0	112.2	F321 L325 L418 L422 I468 L469 A476 L497 I500	F321-M472 HydrophobicContact CZ-CG 4.09Å; L325-M472 HydrophobicContact CD1-CE 3.74Å; L325-M472 HydrophobicContact CD1-SD 3.83Å; L418-M472 HydrophobicContact CD1-CE 3.8Å; L422-M472 HydrophobicContact CD1-CB 3.9Å; L422-M472 HydrophobicContact CD2-CB 4.11Å; L422-M472 HydrophobicContact CD2-CE 4.08Å; I468-M472 WeakPolarHBondContact O-CG 3.41Å; I468-M472 PolarHBondContact O-N 3.07Å; L469-M472 PolarHBondContact O-N 3.36Å; M472-A476 WeakPolarHBondContact O-CB 3.42Å; M472-A476 PolarHBondContact O-N 2.98Å; M472-L497 HydrophobicContact SD-CD2 4.11Å; M472-I500 HydrophobicContact CG-CD1 4.45Å; M472-I500 HydrophobicContact CG-CG2 3.95Å; M472-I500 HydrophobicContact SD-CD1 3.97Å; M472-I500 HydrophobicContact SD-CG2 3.8Å
473	F	98.2	Very high	95.4	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-68.3	-42.4	176.6	-80.6	-68.9	0	0	0	112.3	L422 T423 Y447 V452 L455 L469 L475 A476 F477	L422-F473 HydrophobicContact CB-CE1 3.83Å; L422-F473 HydrophobicContact CB-CE2 4.27Å; L422-F473 HydrophobicContact CB-CZ 3.55Å; L422-F473 HydrophobicContact CD1-CD1 3.87Å; L422-F473 HydrophobicContact CD1-CD2 4.28Å; L422-F473 HydrophobicContact CD1-CE1 3.79Å; L422-F473 HydrophobicContact CD1-CE2 4.22Å; L422-F473 HydrophobicContact CD1-CG 4.11Å; L422-F473 HydrophobicContact CD1-CZ 3.97Å; L422-F473 HydrophobicContact CG-CE1 4.47Å; L422-F473 HydrophobicContact CG-CZ 4.33Å; T423-F473 HydrophobicContact CG2-CE1 3.98Å; T423-F473 HydrophobicContact CG2-CZ 4.12Å; Y447-F473 HydrophobicContact CD2-CB 3.92Å; Y447-F473 HydrophobicContact CE2-CB 4.24Å; V452-F473 HydrophobicContact CG1-CD2 3.76Å; V452-F473 HydrophobicContact CG1-CE2 4.15Å; L455-F473 HydrophobicContact CB-CE1 4.06Å; L455-F473 HydrophobicContact CB-CE2 3.73Å; L455-F473 HydrophobicContact CB-CZ 3.38Å; L455-F473 HydrophobicContact CD1-CD1 4.16Å; L455-F473 HydrophobicContact CD1-CD2 4.24Å; L455-F473 HydrophobicContact CD1-CE1 4.01Å; L455-F473 HydrophobicContact CD1-CE2 4.1Å; L455-F473 HydrophobicContact CD1-CG 4.29Å; L455-F473 HydrophobicContact CD1-CZ 3.99Å; L455-F473 HydrophobicContact CG-CZ 4.32Å; L469-F473 WeakPolarHBondContact O-CD2 3.35Å; L469-F473 PolarHBondContact O-N 2.95Å; F473-L475 VanDerWaalsContact C-N 3.34Å; F473-L475 PolarHBondContact O-N 2.67Å; F473-A476 WeakPolarHBondContact O-CB 3.15Å; F473-A476 PolarHBondContact O-N 3.4Å; F473-A476 VanDerWaalsContact O-N 3.1Å; F473-F477 HydrophobicContact CB-CD2 4.45Å; F473-F477 HydrophobicContact CB-CE2 3.79Å; F473-F477 HydrophobicContact CB-CZ 4.23Å; F473-F477 HydrophobicContact CD1-CE2 4.41Å; F473-F477 AromaticContact CD1-CZ 3.99Å; F473-F477 HydrophobicContact CD1-CZ 3.99Å; F473-F477 WeakPolarHBondContact O-CD2 3.46Å; F473-F477 WeakPolarHBondContact O-CE2 3.43Å; F473-F477 VanDerWaalsContact O-CG 3.27Å; F473-F477 WeakPolarHBondContact O-CG 3.16Å; F473-F477 PolarHBondContact O-N 3.06Å
474	S	98.2	Very high	96	Very high	12 Å²	12	30 Å²	30	8%	0.084	14%	0.143	C	C	.	.	H	α-helix	trans	-55.1	-48.2	174.1	178.3	0	0	0	0	111.5	R470 A476 F477 Q478	R470-S474 WeakPolarHBondContact O-CB 3.31Å; R470-S474 PolarHBondContact O-N 3.42Å; S474-A476 PolarHBondContact O-N 3.29Å; S474-F477 PolarHBondContact O-N 3.46Å; S474-Q478 WeakPolarHBondContact O-CG 3.32Å; S474-Q478 PolarHBondContact O-N 2.83Å; S474-Q478 PolarHBondContact OG-NE2 2.85Å; S474-Q478 VanDerWaalsContact OG-NE2 3.16Å
475	L	98.7	Very high	96.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.2	-41.6	175.3	179	58.6	0	0	0	112.2	L418 K471 F473 F477 Q478 C479 V493 Q496 L497 I500	L418-L475 HydrophobicContact CD2-CG 4.4Å; K471-L475 WeakPolarHBondContact O-CB 3.32Å; K471-L475 PolarHBondContact O-N 2.77Å; F473-L475 VanDerWaalsContact C-N 3.34Å; F473-L475 PolarHBondContact O-N 2.67Å; L475-F477 VanDerWaalsContact C-N 3.33Å; L475-F477 PolarHBondContact O-N 2.87Å; L475-Q478 PolarHBondContact O-N 3.49Å; L475-C479 WeakPolarHBondContact O-CB 3.16Å; L475-C479 PolarHBondContact O-N 2.69Å; L475-C479 PolarHBondContact O-SG 3.17Å; L475-V493 HydrophobicContact CD1-CG1 4.35Å; L475-V493 HydrophobicContact CD1-CG2 4.28Å; L475-V493 HydrophobicContact CD2-CG1 4.33Å; L475-Q496 HydrophobicContact CD1-CB 4.2Å; L475-Q496 HydrophobicContact CD2-CB 4.05Å; L475-L497 HydrophobicContact CD2-CD2 3.58Å; L475-L497 HydrophobicContact CD2-CG 3.72Å; L475-I500 HydrophobicContact CD2-CD1 4.17Å
476	A	98.7	Very high	96.7	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59	-43.7	176.3	0	0	0	0	0	112.2	L418 V419 M472 F473 S474 C479 A480	L418-A476 HydrophobicContact CB-CB 3.98Å; L418-A476 HydrophobicContact CD2-CB 3.73Å; L418-A476 HydrophobicContact CG-CB 3.69Å; V419-A476 HydrophobicContact CG2-CB 3.75Å; M472-A476 WeakPolarHBondContact O-CB 3.42Å; M472-A476 PolarHBondContact O-N 2.98Å; F473-A476 WeakPolarHBondContact O-CB 3.15Å; F473-A476 PolarHBondContact O-N 3.4Å; F473-A476 VanDerWaalsContact O-N 3.1Å; S474-A476 PolarHBondContact O-N 3.29Å; A476-C479 PolarHBondContact O-N 3.06Å; A476-A480 VanDerWaalsContact O-CB 3.3Å; A476-A480 WeakPolarHBondContact O-CB 3.34Å; A476-A480 PolarHBondContact O-N 3.42Å
477	F	98.4	Very high	96.9	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-72.8	-33.3	178.1	-54.5	-46.6	0	0	0	113	I94 V419 V440 A443 F444 Y447 F473 S474 L475 A480 A481	I94-F477 VanDerWaalsContact CD1-C 3.45Å; I94-F477 HydrophobicContact CD1-CB 3.46Å; I94-F477 VanDerWaalsContact CD1-CB 3.46Å; V419-F477 HydrophobicContact CG2-CD1 4.49Å; V419-F477 HydrophobicContact CG2-CE1 4.11Å; V440-F477 HydrophobicContact CG2-CD1 4.29Å; V440-F477 HydrophobicContact CG2-CE1 4.41Å; A443-F477 VanDerWaalsContact C-CZ 3.48Å; A443-F477 HydrophobicContact CB-CE1 3.98Å; A443-F477 HydrophobicContact CB-CZ 3.93Å; A443-F477 WeakPolarHBondContact O-CZ 3.44Å; F444-F477 HydrophobicContact CB-CD1 4.22Å; F444-F477 HydrophobicContact CB-CE1 3.9Å; F444-F477 HydrophobicContact CB-CZ 4.14Å; F444-F477 HydrophobicContact CD2-CB 4.24Å; F444-F477 HydrophobicContact CD2-CD1 4.05Å; F444-F477 AromaticContact CD2-CD2 3.87Å; F444-F477 HydrophobicContact CD2-CD2 3.87Å; F444-F477 HydrophobicContact CD2-CE1 4.39Å; F444-F477 HydrophobicContact CD2-CE2 4.23Å; F444-F477 AromaticContact CD2-CG 3.8Å; F444-F477 HydrophobicContact CD2-CG 3.8Å; F444-F477 HydrophobicContact CD2-CZ 4.49Å; Y447-F477 HydrophobicContact CD1-CD2 4.31Å; Y447-F477 AromaticContact CD1-CE2 4Å; Y447-F477 HydrophobicContact CD1-CE2 4Å; Y447-F477 AromaticContact CD2-CE2 3.97Å; Y447-F477 HydrophobicContact CD2-CE2 3.97Å; Y447-F477 HydrophobicContact CG-CD2 4.33Å; Y447-F477 AromaticContact CG-CE2 3.61Å; Y447-F477 HydrophobicContact CG-CE2 3.61Å; F473-F477 HydrophobicContact CB-CD2 4.45Å; F473-F477 HydrophobicContact CB-CE2 3.79Å; F473-F477 HydrophobicContact CB-CZ 4.23Å; F473-F477 HydrophobicContact CD1-CE2 4.41Å; F473-F477 AromaticContact CD1-CZ 3.99Å; F473-F477 HydrophobicContact CD1-CZ 3.99Å; F473-F477 WeakPolarHBondContact O-CD2 3.46Å; F473-F477 WeakPolarHBondContact O-CE2 3.43Å; F473-F477 VanDerWaalsContact O-CG 3.27Å; F473-F477 WeakPolarHBondContact O-CG 3.16Å; F473-F477 PolarHBondContact O-N 3.06Å; S474-F477 PolarHBondContact O-N 3.46Å; L475-F477 VanDerWaalsContact C-N 3.33Å; L475-F477 PolarHBondContact O-N 2.87Å; F477-A480 CarbonylContact O-C 3.59Å; F477-A480 PolarHBondContact O-N 2.92Å; F477-A481 PolarHBondContact O-N 2.82Å
478	Q	98.3	Very high	97.1	Very high	41 Å²	41	31.6 Å²	31.6	19%	0.192	15%	0.149	C	C	.	.	H	α-helix	trans	-61.7	-46.1	171.1	-72.3	172.1	45.1	0	0	110.7	I94 S474 L475 A481	I94-Q478 HydrophobicContact CD1-CG 4.02Å; S474-Q478 WeakPolarHBondContact O-CG 3.32Å; S474-Q478 PolarHBondContact O-N 2.83Å; S474-Q478 PolarHBondContact OG-NE2 2.85Å; S474-Q478 VanDerWaalsContact OG-NE2 3.16Å; L475-Q478 PolarHBondContact O-N 3.49Å; Q478-A481 WeakPolarHBondContact O-CB 3.27Å; Q478-A481 PolarHBondContact O-N 3.09Å
479	C	98.8	Very high	97.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.9	-42.4	174.9	-69.7	0	0	0	0	112.1	V411 Y412 F414 L475 A476 A481 R487 V493	V411-C479 HydrophobicContact CG1-CB 3.93Å; V411-C479 WeakPolarHBondContact O-CB 3.48Å; Y412-C479 WeakPolarHBondContact CA-O 3.38Å; F414-C479 HydrophobicContact CD1-CB 4.5Å; L475-C479 WeakPolarHBondContact O-CB 3.16Å; L475-C479 PolarHBondContact O-N 2.69Å; L475-C479 PolarHBondContact O-SG 3.17Å; A476-C479 PolarHBondContact O-N 3.06Å; C479-A481 VanDerWaalsContact C-N 3.26Å; C479-A481 PolarHBondContact O-N 2.58Å; C479-R487 VanDerWaalsContact O-CD 3.26Å; C479-R487 WeakPolarHBondContact O-CD 3.3Å; C479-R487 VanDerWaalsContact O-CG 3.31Å; C479-R487 WeakPolarHBondContact O-CG 3.35Å; C479-V493 WeakPolarHBondContact SG-CG2 3.33Å
480	A	98.3	Very high	97.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	18.2	178.2	0	0	0	0	0	114.4	Y412 I416 V440 A476 F477	Y412-A480 HydrophobicContact CD2-CB 4.34Å; Y412-A480 HydrophobicContact CE2-CB 4.26Å; Y412-A480 VanDerWaalsContact CE2-O 3.29Å; Y412-A480 WeakPolarHBondContact CE2-O 3.34Å; I416-A480 HydrophobicContact CD1-CB 4.1Å; V440-A480 HydrophobicContact CG2-CB 4.25Å; A476-A480 VanDerWaalsContact O-CB 3.3Å; A476-A480 WeakPolarHBondContact O-CB 3.34Å; A476-A480 PolarHBondContact O-N 3.42Å; F477-A480 CarbonylContact O-C 3.59Å; F477-A480 PolarHBondContact O-N 2.92Å
481	A	97.4	Very high	97.4	Very high	2 Å²	2	35.3 Å²	35.3	2%	0.017	17%	0.172	C	C	.	.			trans	-61.1	139.2	178.2	0	0	0	0	0	111.1	F477 Q478 C479 T483 E486 R487	F477-A481 PolarHBondContact O-N 2.82Å; Q478-A481 WeakPolarHBondContact O-CB 3.27Å; Q478-A481 PolarHBondContact O-N 3.09Å; C479-A481 VanDerWaalsContact C-N 3.26Å; C479-A481 PolarHBondContact O-N 2.58Å; A481-T483 VanDerWaalsContact C-N 3.26Å; A481-T483 PolarHBondContact O-N 2.96Å; A481-E486 HydrophobicContact CB-CB 3.64Å; A481-R487 HydrophobicContact CB-CG 4Å; A481-R487 VanDerWaalsContact O-CZ 3.3Å; A481-R487 PolarHBondContact O-NE 3.36Å; A481-R487 PolarHBondContact O-NH2 3.27Å
482	P	93.2	Very high	97.5	Very high	28 Å²	28	31.8 Å²	31.8	18%	0.182	16%	0.162	C	C	.	.	S	Bend	trans	-62.6	-25.8	-176.2	-30.5	39.2	0	0	0	115.6	S96 L97 R487	S96-P482 WeakPolarHBondContact OG-CD 3.43Å; L97-P482 HydrophobicContact CD2-CG 4.04Å; L97-P482 HydrophobicContact CG-CG 4.23Å; P482-R487 PolarHBondContact O-NH2 3.06Å
483	T	94.3	Very high	97.5	Very high	54 Å²	54	31.8 Å²	31.8	33%	0.331	16%	0.162	S	C	.	.	S	Bend	trans	-107	139.2	175.4	78.5	0	0	0	0	111.6	A481 K485 E486	A481-T483 VanDerWaalsContact C-N 3.26Å; A481-T483 PolarHBondContact O-N 2.96Å; T483-K485 PolarHBondContact O-N 2.88Å; T483-K485 VanDerWaalsContact O-N 3.14Å; T483-E486 PolarHBondContact O-N 2.72Å; T483-E486 VanDerWaalsContact O-N 3.16Å; T483-E486 VanDerWaalsContact OG1-CD 3.28Å; T483-E486 VanDerWaalsContact OG1-CG 3.31Å; T483-E486 WeakPolarHBondContact OG1-CG 3.21Å; T483-E486 PolarHBondContact OG1-OE2 2.82Å
484	K	94.8	Very high	97.5	Very high	44 Å²	44	32.5 Å²	32.5	19%	0.191	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-15.3	-178.7	74.9	-173.6	173.6	-136.5	0	114.7	E398 T406 K408	E398-K484 WeakPolarHBondContact OE1-CD 3.05Å; E398-K484 WeakPolarHBondContact OE1-CE 3.45Å; E398-K484 IonicContact OE1-NZ 3.92Å; E398-K484 PolarHBondContact OE1-NZ 3.37Å; E398-K484 WeakPolarHBondContact OE2-CB 3.31Å; E398-K484 WeakPolarHBondContact OE2-CG 3.25Å; E398-K484 PolarHBondContact OE2-N 2.8Å; T406-K484 HydrophobicContact CG2-CD 4.17Å; K408-K484 HydrophobicContact CB-CB 3.72Å; K408-K484 HydrophobicContact CG-CB 4.16Å; K408-K484 PolarHBondContact NZ-O 3.45Å
485	K	95.9	Very high	97.5	Very high	193 Å²	193	38.1 Å²	38.1	84%	0.839	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-34.9	175.4	-69.4	-172	177.6	-175.1	0	112	T483	T483-K485 PolarHBondContact O-N 2.88Å; T483-K485 VanDerWaalsContact O-N 3.14Å
486	E	96.4	Very high	97.5	Very high	82 Å²	82	41.3 Å²	41.3	38%	0.383	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-20.2	179.6	-67.8	167.7	124.1	0	0	112.6	S96 A481 T483	S96-E486 PolarHBondContact OG-OE2 3.07Å; A481-E486 HydrophobicContact CB-CB 3.64Å; T483-E486 PolarHBondContact O-N 2.72Å; T483-E486 VanDerWaalsContact O-N 3.16Å; T483-E486 VanDerWaalsContact OG1-CD 3.28Å; T483-E486 VanDerWaalsContact OG1-CG 3.31Å; T483-E486 WeakPolarHBondContact OG1-CG 3.21Å; T483-E486 PolarHBondContact OG1-OE2 2.82Å
487	R	98.3	Very high	97.5	Very high	5 Å²	5	41.3 Å²	41.3	2%	0.019	21%	0.207	C	C	.	.	S	Bend	trans	-75.9	139.8	179.4	-57.5	177.1	-160.4	149.7	6.8	111.2	D396 K408 V411 C479 A481 P482	D396-R487 IonicContact OD1-CZ 2.75Å; D396-R487 IonicContact OD1-NH1 3.69Å; D396-R487 PolarHBondContact OD1-NH1 3.04Å; D396-R487 IonicContact OD1-NH2 2.69Å; D396-R487 PolarHBondContact OD1-NH2 3.5Å; D396-R487 IonicContact OD2-CZ 3.4Å; D396-R487 IonicContact OD2-NH1 3.66Å; D396-R487 PolarHBondContact OD2-NH1 2.78Å; D396-R487 IonicContact OD2-NH2 3.25Å; K408-R487 HydrophobicContact CD-CB 4.29Å; K408-R487 PolarHBondContact NZ-O 3.37Å; K408-R487 WeakPolarHBondContact O-CD 3.41Å; K408-R487 PolarHBondContact O-NH1 3.39Å; V411-R487 HydrophobicContact CG1-CB 4.09Å; C479-R487 VanDerWaalsContact O-CD 3.26Å; C479-R487 WeakPolarHBondContact O-CD 3.3Å; C479-R487 VanDerWaalsContact O-CG 3.31Å; C479-R487 WeakPolarHBondContact O-CG 3.35Å; A481-R487 HydrophobicContact CB-CG 4Å; A481-R487 VanDerWaalsContact O-CZ 3.3Å; A481-R487 PolarHBondContact O-NE 3.36Å; A481-R487 PolarHBondContact O-NH2 3.27Å; P482-R487 PolarHBondContact O-NH2 3.06Å
488	P	98.3	Very high	97.5	Very high	21 Å²	21	49.1 Å²	49.1	14%	0.136	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-64.5	171.5	165.5	29.5	-36	0	0	0	111.8	K408 A492 V493	K408-P488 VanDerWaalsContact CD-O 3.26Å; K408-P488 WeakPolarHBondContact CD-O 3.49Å; K408-P488 VanDerWaalsContact CE-O 3.3Å; K408-P488 WeakPolarHBondContact CE-O 3.47Å; P488-A492 HydrophobicContact CB-CB 4.08Å; P488-V493 HydrophobicContact CB-CG2 3.99Å; P488-V493 HydrophobicContact CG-CG2 3.47Å; P488-V493 VanDerWaalsContact CG-CG2 3.47Å
489	D	98.2	Very high	97.4	Very high	79 Å²	79	49.7 Å²	49.7	42%	0.422	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-86.7	166.6	157.7	61.1	67.8	0	0	0	111	E491 A492 V493	D489-E491 PolarHBondContact O-N 3.01Å; D489-E491 WeakPolarHBondContact OD1-CA 3.31Å; D489-E491 VanDerWaalsContact OD1-CB 3.31Å; D489-E491 WeakPolarHBondContact OD1-CB 3.33Å; D489-E491 PolarHBondContact OD1-N 2.77Å; D489-A492 PolarHBondContact O-N 3.05Å; D489-A492 PolarHBondContact OD1-N 3.31Å; D489-V493 WeakPolarHBondContact O-CG2 3.31Å; D489-V493 PolarHBondContact O-N 3.25Å
490	M	98.5	Very high	97.4	Very high	3 Å²	3	50 Å²	50	2%	0.015	25%	0.25	C	S	.	.	H	α-helix	trans	-69.7	-15.6	-176.7	-66.2	-57.1	-52.3	0	0	114.1	C332 L335 T336 H339 V411 F414 V493 G494	C332-M490 HydrophobicContact CB-CE 4.03Å; C332-M490 VanDerWaalsContact SG-CE 3.57Å; C332-M490 PolarHBondContact SG-O 2.85Å; C332-M490 VanDerWaalsContact SG-O 3.4Å; L335-M490 HydrophobicContact CB-CE 4.02Å; L335-M490 HydrophobicContact CB-CG 3.96Å; L335-M490 HydrophobicContact CB-SD 4.46Å; L335-M490 HydrophobicContact CD1-CE 3.94Å; L335-M490 HydrophobicContact CD1-SD 4.26Å; T336-M490 PolarHBondContact OG1-O 2.87Å; H339-M490 VanDerWaalsContact ND1-CG 3.32Å; H339-M490 WeakPolarHBondContact ND1-CG 3.25Å; V411-M490 HydrophobicContact CB-SD 4.28Å; V411-M490 HydrophobicContact CG1-SD 4.37Å; V411-M490 HydrophobicContact CG2-CG 3.92Å; V411-M490 HydrophobicContact CG2-SD 3.72Å; F414-M490 HydrophobicContact CB-SD 4.49Å; F414-M490 HydrophobicContact CD1-CE 4.02Å; F414-M490 HydrophobicContact CD1-SD 4.41Å; F414-M490 HydrophobicContact CD2-CE 3.96Å; F414-M490 HydrophobicContact CE1-CE 4.16Å; F414-M490 HydrophobicContact CE2-CE 4.08Å; F414-M490 HydrophobicContact CG-CE 3.91Å; F414-M490 HydrophobicContact CG-SD 4.35Å; F414-M490 HydrophobicContact CZ-CE 4.18Å; M490-V493 HydrophobicContact CE-CB 4.25Å; M490-V493 HydrophobicContact CE-CG1 4.02Å; M490-V493 HydrophobicContact SD-CG2 4.32Å; M490-G494 PolarHBondContact O-N 3.22Å; M490-G494 VanDerWaalsContact O-N 3.09Å
491	E	98.1	Very high	97.3	Very high	73 Å²	73	53.5 Å²	53.5	34%	0.341	26%	0.263	S	S	.	.	H	α-helix	trans	-76.7	-44.2	173.5	-164.6	-165.3	129.7	0	0	110.4	T336 D489 G494 K495	T336-E491 HydrophobicContact CG2-CB 4.08Å; T336-E491 HydrophobicContact CG2-CG 4.46Å; D489-E491 PolarHBondContact O-N 3.01Å; D489-E491 WeakPolarHBondContact OD1-CA 3.31Å; D489-E491 VanDerWaalsContact OD1-CB 3.31Å; D489-E491 WeakPolarHBondContact OD1-CB 3.33Å; D489-E491 PolarHBondContact OD1-N 2.77Å; E491-G494 PolarHBondContact O-N 3.09Å; E491-K495 WeakPolarHBondContact O-CG 3.46Å; E491-K495 PolarHBondContact O-N 2.83Å; E491-K495 WeakPolarHBondContact OE1-CE 3.43Å; E491-K495 IonicContact OE1-NZ 3.99Å; E491-K495 PolarHBondContact OE1-NZ 3.18Å
492	A	98.4	Very high	97.2	Very high	29 Å²	29	55.4 Å²	55.4	24%	0.24	28%	0.277	C	S	.	.	H	α-helix	trans	-62.2	-40.1	172.3	0	0	0	0	0	112	P488 D489 K495 Q496	P488-A492 HydrophobicContact CB-CB 4.08Å; D489-A492 PolarHBondContact O-N 3.05Å; D489-A492 PolarHBondContact OD1-N 3.31Å; A492-K495 PolarHBondContact O-N 3.46Å; A492-Q496 WeakPolarHBondContact O-CG 3.39Å; A492-Q496 PolarHBondContact O-N 2.72Å
493	V	98.8	Very high	97.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.6	-46.6	170.8	174.7	0	0	0	0	110.9	F414 L475 C479 P488 D489 M490 K495 Q496 L497	F414-V493 HydrophobicContact CD1-CG1 4.3Å; F414-V493 HydrophobicContact CE1-CG1 3.55Å; F414-V493 HydrophobicContact CZ-CG1 4.07Å; L475-V493 HydrophobicContact CD1-CG1 4.35Å; L475-V493 HydrophobicContact CD1-CG2 4.28Å; L475-V493 HydrophobicContact CD2-CG1 4.33Å; C479-V493 WeakPolarHBondContact SG-CG2 3.33Å; P488-V493 HydrophobicContact CB-CG2 3.99Å; P488-V493 HydrophobicContact CG-CG2 3.47Å; P488-V493 VanDerWaalsContact CG-CG2 3.47Å; D489-V493 WeakPolarHBondContact O-CG2 3.31Å; D489-V493 PolarHBondContact O-N 3.25Å; M490-V493 HydrophobicContact CE-CB 4.25Å; M490-V493 HydrophobicContact CE-CG1 4.02Å; M490-V493 HydrophobicContact SD-CG2 4.32Å; V493-K495 PolarHBondContact O-N 3.36Å; V493-Q496 PolarHBondContact O-N 2.67Å; V493-L497 HydrophobicContact CG1-CD1 3.89Å; V493-L497 HydrophobicContact CG1-CG 4.31Å; V493-L497 WeakPolarHBondContact O-CG 3.13Å; V493-L497 PolarHBondContact O-N 3.15Å
494	G	98.3	Very high	97.3	Very high	16 Å²	16	54 Å²	54	17%	0.165	27%	0.267	C	S	.	.	H	α-helix	trans	-58.7	-44.1	177.5	0	0	0	0	0	113	C332 M490 E491 Q496 L497 W498	C332-G494 VanDerWaalsContact SG-CA 3.54Å; C332-G494 PolarHBondContact SG-N 3.11Å; C332-G494 VanDerWaalsContact SG-N 3.45Å; M490-G494 PolarHBondContact O-N 3.22Å; M490-G494 VanDerWaalsContact O-N 3.09Å; E491-G494 PolarHBondContact O-N 3.09Å; G494-Q496 PolarHBondContact O-N 3Å; G494-L497 PolarHBondContact O-N 2.8Å; G494-W498 WeakPolarHBondContact O-CB 3.38Å; G494-W498 PolarHBondContact O-N 3.16Å
495	K	98.2	Very high	97.1	Very high	130 Å²	130	55 Å²	55	57%	0.565	27%	0.273	S	S	*	.	H	α-helix	trans	-59.8	-44.9	174.9	-69.5	167.9	-172.9	166.7	0	111.8	E491 A492 V493 W498 A499	E491-K495 WeakPolarHBondContact O-CG 3.46Å; E491-K495 PolarHBondContact O-N 2.83Å; E491-K495 WeakPolarHBondContact OE1-CE 3.43Å; E491-K495 IonicContact OE1-NZ 3.99Å; E491-K495 PolarHBondContact OE1-NZ 3.18Å; A492-K495 PolarHBondContact O-N 3.46Å; V493-K495 PolarHBondContact O-N 3.36Å; K495-W498 PolarHBondContact O-N 2.99Å; K495-A499 PolarHBondContact O-N 3.05Å; K495-A499 VanDerWaalsContact O-N 3.1Å
496	Q	98.5	Very high	96.9	Very high	66 Å²	66	53.3 Å²	53.3	31%	0.308	26%	0.262	S	S	.	.	H	α-helix	trans	-64	-46.5	176.6	-70.1	-167.1	60.3	0	0	112.1	L475 A492 V493 G494 W498 A499 I500	L475-Q496 HydrophobicContact CD1-CB 4.2Å; L475-Q496 HydrophobicContact CD2-CB 4.05Å; A492-Q496 WeakPolarHBondContact O-CG 3.39Å; A492-Q496 PolarHBondContact O-N 2.72Å; V493-Q496 PolarHBondContact O-N 2.67Å; G494-Q496 PolarHBondContact O-N 3Å; Q496-W498 VanDerWaalsContact C-N 3.3Å; Q496-W498 PolarHBondContact O-N 3.43Å; Q496-A499 PolarHBondContact O-N 3.19Å; Q496-I500 VanDerWaalsContact O-CG1 3.31Å; Q496-I500 WeakPolarHBondContact O-CG1 3.28Å; Q496-I500 PolarHBondContact O-N 3.5Å
497	L	98.5	Very high	96.3	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-59.7	-39.8	176.6	-71.2	169.5	0	0	0	112.3	L325 V328 I329 C332 F414 M472 L475 V493 G494 I500 R501	L325-L497 HydrophobicContact CD1-CD2 4.49Å; V328-L497 HydrophobicContact CG1-CD1 3.86Å; V328-L497 HydrophobicContact CG1-CD2 3.62Å; V328-L497 HydrophobicContact CG1-CG 4.42Å; I329-L497 HydrophobicContact CD1-CB 4.45Å; I329-L497 HydrophobicContact CG1-CB 3.8Å; I329-L497 HydrophobicContact CG1-CD1 4.16Å; I329-L497 HydrophobicContact CG1-CG 4.44Å; C332-L497 HydrophobicContact CB-CD1 3.66Å; F414-L497 HydrophobicContact CZ-CD1 4.14Å; M472-L497 HydrophobicContact SD-CD2 4.11Å; L475-L497 HydrophobicContact CD2-CD2 3.58Å; L475-L497 HydrophobicContact CD2-CG 3.72Å; V493-L497 HydrophobicContact CG1-CD1 3.89Å; V493-L497 HydrophobicContact CG1-CG 4.31Å; V493-L497 WeakPolarHBondContact O-CG 3.13Å; V493-L497 PolarHBondContact O-N 3.15Å; G494-L497 PolarHBondContact O-N 2.8Å; L497-I500 PolarHBondContact O-N 3.36Å; L497-R501 WeakPolarHBondContact O-CB 3.49Å; L497-R501 PolarHBondContact O-N 3.12Å
498	W	97	Very high	95.3	Very high	165 Å²	165	57.2 Å²	57.2	63%	0.625	28%	0.283	S	S	*	.	H	α-helix	trans	-67.2	-37.5	178.1	-158	80.7	0	0	0	112.1	G494 K495 Q496 R501 S502	G494-W498 WeakPolarHBondContact O-CB 3.38Å; G494-W498 PolarHBondContact O-N 3.16Å; K495-W498 PolarHBondContact O-N 2.99Å; Q496-W498 VanDerWaalsContact C-N 3.3Å; Q496-W498 PolarHBondContact O-N 3.43Å; W498-R501 PolarHBondContact O-N 3.34Å; W498-S502 WeakPolarHBondContact O-CB 3.18Å; W498-S502 PolarHBondContact O-N 3.01Å; W498-S502 PolarHBondContact O-OG 2.7Å
499	A	97.6	Very high	94.1	Very high	53 Å²	53	63.7 Å²	63.7	44%	0.438	31%	0.314	S	S	.	.	H	α-helix	trans	-66.8	-38.7	172.6	0	0	0	0	0	112.6	K495 Q496 S503	K495-A499 PolarHBondContact O-N 3.05Å; K495-A499 VanDerWaalsContact O-N 3.1Å; Q496-A499 PolarHBondContact O-N 3.19Å; A499-S503 WeakPolarHBondContact O-CB 3.23Å; A499-S503 PolarHBondContact O-N 3.23Å; A499-S503 PolarHBondContact O-OG 3.09Å
500	I	97.5	Very high	92.4	Very high	6 Å²	6	68.4 Å²	68.4	3%	0.031	33%	0.333	C	S	.	.	H	α-helix	trans	-63	-48.9	173.5	-66.8	166.9	0	0	0	110.3	I468 K471 M472 L475 Q496 L497 S502 S503 Y504	I468-I500 HydrophobicContact CG2-CG2 4.06Å; K471-I500 HydrophobicContact CB-CD1 3.81Å; K471-I500 HydrophobicContact CB-CG1 3.77Å; K471-I500 HydrophobicContact CD-CG1 4.17Å; M472-I500 HydrophobicContact CG-CD1 4.45Å; M472-I500 HydrophobicContact CG-CG2 3.95Å; M472-I500 HydrophobicContact SD-CD1 3.97Å; M472-I500 HydrophobicContact SD-CG2 3.8Å; L475-I500 HydrophobicContact CD2-CD1 4.17Å; Q496-I500 VanDerWaalsContact O-CG1 3.31Å; Q496-I500 WeakPolarHBondContact O-CG1 3.28Å; Q496-I500 PolarHBondContact O-N 3.5Å; L497-I500 PolarHBondContact O-N 3.36Å; I500-S502 PolarHBondContact O-N 3.26Å; I500-S503 CarbonylContact O-C 3.5Å; I500-S503 WeakPolarHBondContact O-CA 3.4Å; I500-S503 WeakPolarHBondContact O-CB 3.45Å; I500-S503 PolarHBondContact O-N 3.35Å; I500-S503 VanDerWaalsContact O-N 3.08Å; I500-Y504 PolarHBondContact O-N 2.86Å
501	R	96.6	Very high	92.1	Very high	73 Å²	73	71.7 Å²	71.7	28%	0.275	35%	0.349	S	S	.	.	H	α-helix	trans	-58.5	-47	177.8	-173.2	-163.5	-170.4	-136.8	11.1	112.5	L325 E326 I329 L497 W498 S503 Y504 L505	L325-R501 HydrophobicContact CD2-CB 4.09Å; L325-R501 HydrophobicContact CD2-CG 4.18Å; E326-R501 VanDerWaalsContact CD-NH2 3.35Å; E326-R501 IonicContact OE1-CZ 4Å; E326-R501 IonicContact OE1-NE 3.12Å; E326-R501 PolarHBondContact OE1-NE 3.48Å; E326-R501 IonicContact OE1-NH2 2.69Å; E326-R501 PolarHBondContact OE1-NH2 3.21Å; E326-R501 IonicContact OE2-CZ 3.54Å; E326-R501 IonicContact OE2-NH2 3.09Å; E326-R501 PolarHBondContact OE2-NH2 3.1Å; I329-R501 HydrophobicContact CD1-CB 4.09Å; I329-R501 HydrophobicContact CD1-CG 4.22Å; L497-R501 WeakPolarHBondContact O-CB 3.49Å; L497-R501 PolarHBondContact O-N 3.12Å; W498-R501 PolarHBondContact O-N 3.34Å; R501-S503 PolarHBondContact O-N 3.35Å; R501-Y504 PolarHBondContact O-N 3.16Å; R501-L505 HydrophobicContact CG-CD1 4.04Å; R501-L505 HydrophobicContact CG-CG 4.4Å; R501-L505 WeakPolarHBondContact O-CB 3.39Å; R501-L505 WeakPolarHBondContact O-CG 3.45Å; R501-L505 PolarHBondContact O-N 3.15Å
502	S	95.9	Very high	91.8	Very high	42 Å²	42	71.6 Å²	71.6	29%	0.294	35%	0.35	S	S	.	.	H	α-helix	trans	-61.9	-31.8	175.6	-64.9	0	0	0	0	112.6	W498 I500 R506	W498-S502 WeakPolarHBondContact O-CB 3.18Å; W498-S502 PolarHBondContact O-N 3.01Å; W498-S502 PolarHBondContact O-OG 2.7Å; I500-S502 PolarHBondContact O-N 3.26Å; S502-R506 PolarHBondContact O-N 3.07Å
503	S	94.9	Very high	91.5	Very high	31 Å²	31	74 Å²	74	22%	0.217	36%	0.356	C	S	.	.	H	α-helix	trans	-73.5	-40.5	173.7	-55.2	0	0	0	0	112.3	I468 A499 I500 R501 R507	I468-S503 VanDerWaalsContact CD1-CB 3.48Å; A499-S503 WeakPolarHBondContact O-CB 3.23Å; A499-S503 PolarHBondContact O-N 3.23Å; A499-S503 PolarHBondContact O-OG 3.09Å; I500-S503 CarbonylContact O-C 3.5Å; I500-S503 WeakPolarHBondContact O-CA 3.4Å; I500-S503 WeakPolarHBondContact O-CB 3.45Å; I500-S503 PolarHBondContact O-N 3.35Å; I500-S503 VanDerWaalsContact O-N 3.08Å; R501-S503 PolarHBondContact O-N 3.35Å; S503-R507 WeakPolarHBondContact O-CG 3.22Å; S503-R507 PolarHBondContact O-N 3.46Å
504	Y	94.1	Very high	91	Very high	23 Å²	23	78.4 Å²	78.4	9%	0.09	38%	0.377	C	S	.	.	H	α-helix	trans	-65.9	-50.5	178.7	170.3	-105	0	0	0	111.4	F321 N322 L325 E462 I468 I500 R501 R506 R507 S508	F321-Y504 AromaticContact CD1-CD2 3.97Å; F321-Y504 HydrophobicContact CD1-CD2 3.97Å; F321-Y504 HydrophobicContact CD1-CE1 4.44Å; F321-Y504 AromaticContact CD1-CE2 3.53Å; F321-Y504 HydrophobicContact CD1-CE2 3.53Å; F321-Y504 AromaticContact CD1-CZ 3.8Å; F321-Y504 AromaticContact CE1-CD2 3.79Å; F321-Y504 HydrophobicContact CE1-CD2 3.79Å; F321-Y504 AromaticContact CE1-CE2 3.87Å; F321-Y504 HydrophobicContact CE1-CE2 3.87Å; F321-Y504 HydrophobicContact CE1-CG 4.24Å; N322-Y504 HydrophobicContact CB-CE1 3.96Å; L325-Y504 HydrophobicContact CD2-CD1 4.05Å; L325-Y504 HydrophobicContact CD2-CG 4.33Å; E462-Y504 PolarHBondContact OE2-OH 3.02Å; I468-Y504 HydrophobicContact CG2-CD2 4.27Å; I500-Y504 PolarHBondContact O-N 2.86Å; R501-Y504 PolarHBondContact O-N 3.16Å; Y504-R506 PolarHBondContact O-N 3.24Å; Y504-R507 CarbonylContact O-C 3.54Å; Y504-R507 PolarHBondContact O-N 3.4Å; Y504-R507 VanDerWaalsContact O-N 3.14Å; Y504-S508 PolarHBondContact O-N 3.4Å; Y504-S508 PolarHBondContact O-OG 2.83Å
505	L	91.9	Very high	90.6	Very high	63 Å²	63	82.3 Å²	82.3	33%	0.33	39%	0.39	S	S	.	.	H	α-helix	trans	-61.3	-32.2	179.7	-69.8	174.6	0	0	0	112.8	R501 S508 M509	R501-L505 HydrophobicContact CG-CD1 4.04Å; R501-L505 HydrophobicContact CG-CG 4.4Å; R501-L505 WeakPolarHBondContact O-CB 3.39Å; R501-L505 WeakPolarHBondContact O-CG 3.45Å; R501-L505 PolarHBondContact O-N 3.15Å; L505-S508 WeakPolarHBondContact CA-OG 3.39Å; L505-S508 PolarHBondContact O-OG 3.11Å; L505-M509 WeakPolarHBondContact O-CE 3.4Å; L505-M509 WeakPolarHBondContact O-CG 3.44Å
506	R	90.4	Very high	90.1	Very high	159 Å²	159	79.1 Å²	79.1	60%	0.6	38%	0.378	S	S	*	.	H	α-helix	trans	-67.8	-48.6	174.8	-161.8	-177	-57.2	166.6	1.9	111.2	S502 Y504 S508 M509 E510	S502-R506 PolarHBondContact O-N 3.07Å; Y504-R506 PolarHBondContact O-N 3.24Å; R506-S508 PolarHBondContact O-N 3.24Å; R506-M509 PolarHBondContact O-N 3.39Å; R506-M509 VanDerWaalsContact O-N 3.14Å; R506-E510 PolarHBondContact O-N 3.36Å
507	R	83.9	Confident	89.5	Confident	100 Å²	100	80 Å²	80	38%	0.377	38%	0.383	S	S	.	.	H	α-helix	trans	-68.5	-14.8	177.7	-70.6	179.8	-177	-81.6	-35.4	114.8	D465 S503 Y504	D465-R507 IonicContact OD1-NH1 3.8Å; D465-R507 IonicContact OD2-CZ 3.77Å; D465-R507 IonicContact OD2-NE 2.72Å; D465-R507 IonicContact OD2-NH1 2.68Å; D465-R507 PolarHBondContact OD2-NH1 3.37Å; S503-R507 WeakPolarHBondContact O-CG 3.22Å; S503-R507 PolarHBondContact O-N 3.46Å; Y504-R507 CarbonylContact O-C 3.54Å; Y504-R507 PolarHBondContact O-N 3.4Å; Y504-R507 VanDerWaalsContact O-N 3.14Å
508	S	77.5	Confident	88.8	Confident	68 Å²	68	86.1 Å²	86.1	48%	0.476	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-3.8	173.7	62.9	0	0	0	0	113.6	Y504 L505 R506	Y504-S508 PolarHBondContact O-N 3.4Å; Y504-S508 PolarHBondContact O-OG 2.83Å; L505-S508 WeakPolarHBondContact CA-OG 3.39Å; L505-S508 PolarHBondContact O-OG 3.11Å; R506-S508 PolarHBondContact O-N 3.24Å
509	M	72.2	Confident	88.1	Confident	157 Å²	157	79.5 Å²	79.5	77%	0.773	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-11	171.2	-63.5	-176.8	-62.1	0	0	112.3	L505 R506	L505-M509 WeakPolarHBondContact O-CE 3.4Å; L505-M509 WeakPolarHBondContact O-CG 3.44Å; R506-M509 PolarHBondContact O-N 3.39Å; R506-M509 VanDerWaalsContact O-N 3.14Å
510	E	64.4	Low	87.2	Confident	179 Å²	179	81.9 Å²	81.9	84%	0.836	39%	0.391	S	S	*	.			trans	-87.1	0	169.7	-67.9	164.3	-164.9	0	0	109.9	R506	R506-E510 PolarHBondContact O-N 3.36Å

Retrieved 510 of 510 residues in 1758.7 ms (Link to these results)

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