A0A060YBS0_ONCMY Loading...

EF-hand domain-containing protein

Involved in regulation of vitamin K-dependent carboxylation of multiple N-terminal glutamate residues. Seems to inhibit gamma-carboxylase GGCX. Binds 7 calcium ions with a low affinity.

AlphaFold DB , UniProt , Accession A0A060YBS0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110496239, Length 316 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	39.1	Very low	42	Very low	251 Å²	251	147.5 Å²	147.5	100%	1.236	80%	0.8	S	S	*	*				0	120.4	0	-68	178.9	-140.4	0	0	106.5
2	A	42	Very low	41.6	Very low	92 Å²	92	147 Å²	147	76%	0.76	80%	0.795	S	S	*	*			cis	-147.5	134.9	6.9	0	0	0	0	0	107.4
3	L	41.3	Very low	41	Very low	162 Å²	162	143.9 Å²	143.9	85%	0.848	79%	0.789	S	S	*	*			trans	-58.2	131.1	162.3	-108.2	78.6	0	0	0	108.9
4	R	47.8	Very low	40.9	Very low	239 Å²	239	140.5 Å²	140.5	90%	0.902	78%	0.775	S	S	*	*			trans	-140	104.9	150.6	-74.8	-167.4	175.9	174.6	-1.3	108.6
5	P	48.8	Very low	40.6	Very low	102 Å²	102	139.1 Å²	139.1	66%	0.662	77%	0.771	S	S	*	*			trans	-77.4	141.4	175.2	31.3	-29.7	0	0	0	109.6	V7	P5-V7 VanDerWaalsContact C-N 3.33Å; P5-V7 HydrophobicContact CG-CG2 4.45Å; P5-V7 PolarHBondContact O-N 2.77Å
6	L	44.8	Very low	40.3	Very low	155 Å²	155	139.9 Å²	139.9	81%	0.812	77%	0.767	S	S	*	*			trans	-71.5	89.9	173.1	-159	148.1	0	0	0	107.2	M8	L6-M8 HydrophobicContact CD2-CG 4.12Å; L6-M8 PolarHBondContact O-N 2.65Å; L6-M8 VanDerWaalsContact O-N 3.1Å
7	V	43.2	Very low	40	Very low	109 Å²	109	136.2 Å²	136.2	66%	0.661	76%	0.759	S	S	*	*			trans	-75.9	93.6	174	179.8	0	0	0	0	106.9	P5 C9	P5-V7 VanDerWaalsContact C-N 3.33Å; P5-V7 HydrophobicContact CG-CG2 4.45Å; P5-V7 PolarHBondContact O-N 2.77Å; V7-C9 VanDerWaalsContact C-N 3.35Å; V7-C9 PolarHBondContact O-N 3.41Å; V7-C9 VanDerWaalsContact O-N 3.08Å
8	M	40.4	Very low	39.8	Very low	147 Å²	147	134.5 Å²	134.5	72%	0.724	76%	0.758	S	S	*	*			trans	-64.3	100.5	157.6	-87.4	-162.9	-129.7	0	0	107.3	L6 F10	L6-M8 HydrophobicContact CD2-CG 4.12Å; L6-M8 PolarHBondContact O-N 2.65Å; L6-M8 VanDerWaalsContact O-N 3.1Å; M8-F10 PolarHBondContact O-N 3.17Å
9	C	37.2	Very low	39.4	Very low	113 Å²	113	132.7 Å²	132.7	76%	0.764	76%	0.755	S	S	*	*			trans	-68.9	83.5	163.4	-69.9	0	0	0	0	108.4	V7 A11	V7-C9 VanDerWaalsContact C-N 3.35Å; V7-C9 PolarHBondContact O-N 3.41Å; V7-C9 VanDerWaalsContact O-N 3.08Å; C9-A11 PolarHBondContact O-N 2.85Å
10	F	38.8	Very low	39.1	Very low	169 Å²	169	135.3 Å²	135.3	74%	0.741	76%	0.757	S	S	*	*			trans	-68.1	89	152.7	-108.8	-91	0	0	0	106.1	M8 L12	M8-F10 PolarHBondContact O-N 3.17Å; F10-L12 PolarHBondContact O-N 2.85Å
11	A	38.5	Very low	38.7	Very low	83 Å²	83	134.2 Å²	134.2	69%	0.686	76%	0.756	S	S	*	*			trans	-67.7	86.1	160.2	0	0	0	0	0	106.5	C9 C13	C9-A11 PolarHBondContact O-N 2.85Å; A11-C13 PolarHBondContact O-N 2.93Å
12	L	37.7	Very low	38.4	Very low	142 Å²	142	128.7 Å²	128.7	74%	0.743	74%	0.737	S	S	*	*			trans	-62.1	86.9	154.6	-88.4	157.7	0	0	0	105.8	F10 V14	F10-L12 PolarHBondContact O-N 2.85Å; L12-V14 HydrophobicContact CB-CG2 4.36Å; L12-V14 PolarHBondContact O-N 3.11Å
13	C	33.1	Very low	38	Very low	107 Å²	107	131.9 Å²	131.9	72%	0.723	74%	0.74	S	S	*	*			trans	-63.6	84.9	154.4	-71.5	0	0	0	0	105.8	A11 V15	A11-C13 PolarHBondContact O-N 2.93Å; C13-V15 HydrophobicContact CB-CG2 4.36Å; C13-V15 PolarHBondContact O-N 2.78Å
14	V	40.1	Very low	37.5	Very low	96 Å²	96	130.7 Å²	130.7	58%	0.582	73%	0.734	S	S	*	*			trans	-68.3	85.2	156.6	-168.4	0	0	0	0	104.5	L12 H16	L12-V14 HydrophobicContact CB-CG2 4.36Å; L12-V14 PolarHBondContact O-N 3.11Å; V14-H16 WeakPolarHBondContact CG1-CE1 3.49Å; V14-H16 WeakPolarHBondContact CG1-ND1 3.47Å; V14-H16 PolarHBondContact O-N 2.77Å
15	V	36.3	Very low	36.7	Very low	120 Å²	120	128.3 Å²	128.3	73%	0.727	73%	0.73	S	S	*	*			trans	-62.3	94.6	159	-178.4	0	0	0	0	103.6	C13 A17	C13-V15 HydrophobicContact CB-CG2 4.36Å; C13-V15 PolarHBondContact O-N 2.78Å; V15-A17 HydrophobicContact CG1-CB 4.36Å; V15-A17 PolarHBondContact O-N 3.47Å
16	H	35.8	Very low	35.9	Very low	152 Å²	152	132.6 Å²	132.6	70%	0.704	74%	0.738	S	S	*	*			trans	-64.3	84.4	154.1	-78.7	62.4	0	0	0	104.4	V14 S18	V14-H16 WeakPolarHBondContact CG1-CE1 3.49Å; V14-H16 WeakPolarHBondContact CG1-ND1 3.47Å; V14-H16 PolarHBondContact O-N 2.77Å; H16-S18 PolarHBondContact O-N 2.85Å
17	A	34.6	Very low	35.1	Very low	76 Å²	76	129.8 Å²	129.8	63%	0.628	72%	0.724	S	S	*	*			trans	-64.4	87.7	151	0	0	0	0	0	103.7	V15 S19	V15-A17 HydrophobicContact CG1-CB 4.36Å; V15-A17 PolarHBondContact O-N 3.47Å; A17-S19 PolarHBondContact O-N 3.15Å
18	S	37.5	Very low	34.7	Very low	106 Å²	106	133.4 Å²	133.4	74%	0.741	73%	0.726	S	S	*	*			trans	-64.2	81.1	151.3	-58.1	0	0	0	0	104.3	H16 K20	H16-S18 PolarHBondContact O-N 2.85Å; S18-K20 PolarHBondContact O-N 3.44Å
19	S	32.4	Very low	34.4	Very low	100 Å²	100	130.1 Å²	130.1	70%	0.699	71%	0.714	S	S	*	*			trans	-49.3	115.5	153.2	31.8	0	0	0	0	103.8	A17 P21	A17-S19 PolarHBondContact O-N 3.15Å; S19-P21 VanDerWaalsContact O-N 3.15Å
20	K	32.1	Very low	34.1	Very low	184 Å²	184	130.6 Å²	130.6	80%	0.8	71%	0.707	S	S	*	*			trans	-46.5	128	156.2	-73.3	-176.7	175.9	-178.1	0	104.3	S18 T22	S18-K20 PolarHBondContact O-N 3.44Å; K20-T22 PolarHBondContact O-N 2.81Å
21	P	31.3	Very low	33.7	Very low	113 Å²	113	129.2 Å²	129.2	73%	0.734	70%	0.703	S	S	*	*			trans	-51.5	118.9	170.5	23.2	-29.6	0	0	0	104.4	S19 I23	S19-P21 VanDerWaalsContact O-N 3.15Å; P21-I23 VanDerWaalsContact C-N 3.33Å; P21-I23 PolarHBondContact O-N 3.28Å
22	T	32.3	Very low	33.8	Very low	136 Å²	136	132.6 Å²	132.6	83%	0.834	71%	0.71	S	S	*	*			trans	-50.3	113	169	33.5	0	0	0	0	104.2	K20 D24	K20-T22 PolarHBondContact O-N 2.81Å; T22-D24 PolarHBondContact O-N 3.16Å; T22-D24 VanDerWaalsContact O-N 3.16Å
23	I	34.3	Very low	33.7	Very low	159 Å²	159	130.1 Å²	130.1	82%	0.815	70%	0.697	S	S	*	*	S	Bend	trans	-35.8	121.8	170.9	-73.3	160.9	0	0	0	106.5	P21	P21-I23 VanDerWaalsContact C-N 3.33Å; P21-I23 PolarHBondContact O-N 3.28Å
24	D	31	Very low	33.7	Very low	136 Å²	136	129.7 Å²	129.7	73%	0.727	69%	0.687	S	S	*	*			trans	7	118.2	174.4	-57.6	-45.4	0	0	0	114.6	T22 K26	T22-D24 PolarHBondContact O-N 3.16Å; T22-D24 VanDerWaalsContact O-N 3.16Å; D24-K26 PolarHBondContact O-N 3.27Å
25	K	31.1	Very low	33.6	Very low	189 Å²	189	130 Å²	130	82%	0.822	69%	0.685	S	S	*	*			trans	-46.5	102.9	143	-73.6	178.4	173.5	-172.1	0	105.1	D27	K25-D27 PolarHBondContact O-N 3.3Å
26	K	31.7	Very low	33.6	Very low	193 Å²	193	124.2 Å²	124.2	84%	0.839	65%	0.65	S	S	*	*			trans	-63.5	97.5	152.2	-79.1	-172.9	172.5	-171.4	0	102.9	D24 R28	D24-K26 PolarHBondContact O-N 3.27Å; K26-R28 PolarHBondContact O-N 3.21Å; K26-R28 VanDerWaalsContact O-N 3.14Å
27	D	27.2	Very low	33.9	Very low	95 Å²	95	122.5 Å²	122.5	51%	0.508	65%	0.646	S	S	.	*			trans	-43.4	122.9	158	-80.6	-39.7	0	0	0	105.8	K25 V29 H31	K25-D27 PolarHBondContact O-N 3.3Å; D27-V29 HydrophobicContact CB-CB 4.33Å; D27-V29 VanDerWaalsContact CB-O 3.24Å; D27-V29 WeakPolarHBondContact CB-O 3.1Å; D27-V29 PolarHBondContact O-N 3.28Å; D27-H31 IonicContact OD2-CD2 3.34Å
28	R	36.1	Very low	34.3	Very low	185 Å²	185	124.8 Å²	124.8	70%	0.698	64%	0.639	S	S	*	*	S	Bend	trans	-68.4	-13.8	168.7	-67.5	177.3	-178.9	-133.3	-3.9	110.8	K26 I30 D146	K26-R28 PolarHBondContact O-N 3.21Å; K26-R28 VanDerWaalsContact O-N 3.14Å; R28-I30 PolarHBondContact O-N 2.97Å; R28-D146 IonicContact CZ-OD2 2.64Å; R28-D146 VanDerWaalsContact NH1-CG 3.25Å; R28-D146 IonicContact NH1-OD2 3.87Å; R28-D146 PolarHBondContact NH1-OD2 3.38Å; R28-D146 VanDerWaalsContact NH2-CG 3.32Å; R28-D146 IonicContact NH2-OD2 2.68Å; R28-D146 PolarHBondContact NH2-OD2 2.88Å
29	V	34.4	Very low	34.4	Very low	79 Å²	79	126.9 Å²	126.9	48%	0.479	64%	0.641	S	S	.	*	S	Bend	trans	-75.5	102.9	160.1	-171.8	0	0	0	0	106.3	D27 H31	D27-V29 HydrophobicContact CB-CB 4.33Å; D27-V29 VanDerWaalsContact CB-O 3.24Å; D27-V29 WeakPolarHBondContact CB-O 3.1Å; D27-V29 PolarHBondContact O-N 3.28Å; V29-H31 PolarHBondContact O-N 2.94Å
30	I	29.2	Very low	34.9	Very low	122 Å²	122	125.7 Å²	125.7	63%	0.626	63%	0.625	S	S	*	*			trans	-59.2	97.5	154	-59.7	177.9	0	0	0	104.6	R28 D32 D33	R28-I30 PolarHBondContact O-N 2.97Å; I30-D32 PolarHBondContact O-N 2.74Å; I30-D33 HydrophobicContact CG2-CB 3.99Å
31	H	32.2	Very low	35.4	Very low	141 Å²	141	122.3 Å²	122.3	65%	0.653	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	114.3	169.1	-89.3	-57.1	0	0	0	107	D27 V29	D27-H31 IonicContact OD2-CD2 3.34Å; V29-H31 PolarHBondContact O-N 2.94Å
32	D	39.4	Very low	36.1	Very low	153 Å²	153	122.1 Å²	122.1	82%	0.818	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	59	64.5	174.5	-67.9	-19.3	0	0	0	116	I30	I30-D32 PolarHBondContact O-N 2.74Å
33	D	34.8	Very low	36.6	Very low	91 Å²	91	119.2 Å²	119.2	49%	0.487	60%	0.598	S	S	.	*			trans	-125.2	115	136.4	-83.5	-42.2	0	0	0	106.6	I30	I30-D33 HydrophobicContact CG2-CB 3.99Å
34	L	33.9	Very low	36.9	Very low	98 Å²	98	117.7 Å²	117.7	51%	0.513	59%	0.591	S	S	.	*			trans	-51.4	143.4	172.2	-65.8	151.8	0	0	0	108.8	S36 Q56	L34-S36 VanDerWaalsContact CB-C 3.46Å; L34-S36 WeakPolarHBondContact CB-O 3.24Å; L34-S36 CarbonylContact O-C 3.47Å; L34-S36 WeakPolarHBondContact O-CA 3.42Å; L34-S36 PolarHBondContact O-N 2.82Å; L34-Q56 PolarHBondContact O-NE2 2.89Å
35	L	37.4	Very low	37.5	Very low	101 Å²	101	112.8 Å²	112.8	53%	0.529	57%	0.565	S	S	.	*	S	Bend	trans	-44	-37.5	173.3	-69.6	169.9	0	0	0	111.2
36	S	37.1	Very low	38.3	Very low	0 Å²	0	107.8 Å²	107.8	0%	0	54%	0.543	C	S	.	.	S	Bend	trans	-129.2	141.4	158.1	177.1	0	0	0	0	112.6	L34 R38 E51	L34-S36 VanDerWaalsContact CB-C 3.46Å; L34-S36 WeakPolarHBondContact CB-O 3.24Å; L34-S36 CarbonylContact O-C 3.47Å; L34-S36 WeakPolarHBondContact O-CA 3.42Å; L34-S36 PolarHBondContact O-N 2.82Å; S36-R38 PolarHBondContact O-N 2.88Å; S36-R38 WeakPolarHBondContact OG-CB 3.34Å; S36-R38 PolarHBondContact OG-N 2.79Å; S36-R38 VanDerWaalsContact OG-N 3.09Å; S36-E51 WeakPolarHBondContact CA-OE2 3.34Å; S36-E51 WeakPolarHBondContact CB-OE2 3.37Å; S36-E51 VanDerWaalsContact OG-CD 3.27Å; S36-E51 PolarHBondContact OG-OE2 3.31Å
37	N	42.2	Very low	38.7	Very low	116 Å²	116	101.1 Å²	101.1	62%	0.62	52%	0.517	S	S	*	.	S	Bend	trans	-63.8	3	170.1	-83.2	-33.1	0	0	0	114.3
38	R	42.7	Very low	39.4	Very low	124 Å²	124	98.9 Å²	98.9	47%	0.468	50%	0.502	S	S	.	.	S	Bend	trans	-102	150.3	179.4	-55.7	-174.8	-173.8	-178.6	8.1	111.4	S36 H40 D47	S36-R38 PolarHBondContact O-N 2.88Å; S36-R38 WeakPolarHBondContact OG-CB 3.34Å; S36-R38 PolarHBondContact OG-N 2.79Å; S36-R38 VanDerWaalsContact OG-N 3.09Å; R38-H40 PolarHBondContact O-N 2.95Å; R38-D47 IonicContact CZ-OD2 3.39Å; R38-D47 IonicContact NH1-OD1 3.63Å; R38-D47 IonicContact NH1-OD2 2.69Å; R38-D47 PolarHBondContact NH1-OD2 3.15Å
39	N	40.8	Very low	39.7	Very low	149 Å²	149	94.2 Å²	94.2	80%	0.797	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-70	121.6	177.3	-96.1	-11.6	0	0	0	110.7	D41 N45	N39-D41 PolarHBondContact O-N 2.94Å; N39-N45 PolarHBondContact O-ND2 2.73Å
40	H	41.3	Very low	40.3	Very low	76 Å²	76	92.2 Å²	92.2	35%	0.352	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-60.8	125.6	168.8	-168	-117.6	0	0	0	110.6	R38 D42 Y48 D49	R38-H40 PolarHBondContact O-N 2.95Å; H40-D42 IonicContact CE1-OD1 3.03Å; H40-D42 PolarHBondContact CE1-OD1 2.87Å; H40-D42 IonicContact ND1-OD1 2.65Å; H40-D42 PolarHBondContact ND1-OD1 3.3Å; H40-D42 IonicContact NE2-OD1 2.65Å; H40-Y48 HydrophobicContact CB-CD1 4.22Å; H40-Y48 HydrophobicContact CB-CD2 3.84Å; H40-Y48 HydrophobicContact CB-CE1 4.15Å; H40-Y48 HydrophobicContact CB-CE2 3.82Å; H40-Y48 HydrophobicContact CB-CG 4.04Å; H40-Y48 AromaticContact CD2-CD1 3.04Å; H40-Y48 WeakPolarHBondContact CD2-CD1 3.13Å; H40-Y48 AromaticContact CD2-CE1 3.39Å; H40-Y48 WeakPolarHBondContact CD2-CE1 3.37Å; H40-Y48 AromaticContact CD2-CG 3.45Å; H40-Y48 VanDerWaalsContact CD2-CG 3.45Å; H40-Y48 AromaticContact CG-CD1 3.89Å; H40-Y48 AromaticContact CG-CE1 3.89Å; H40-Y48 AromaticContact NE2-CD1 3.8Å; H40-D49 IonicContact NE2-OD1 3.96Å
41	D	43.6	Very low	40.8	Very low	113 Å²	113	88.2 Å²	88.2	60%	0.604	46%	0.455	S	S	*	.			trans	-136.9	110.6	172.5	-150.1	-10	0	0	0	107.5	N39 A43 D44 N45	N39-D41 PolarHBondContact O-N 2.94Å; D41-A43 PolarHBondContact O-N 2.63Å; D41-D44 PolarHBondContact O-N 2.73Å; D41-N45 HydrophobicContact CB-CB 4.39Å; D41-N45 PolarHBondContact O-N 3.19Å
42	D	45.6	Very low	41	Very low	109 Å²	109	83.8 Å²	83.8	58%	0.583	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-7.7	-166.6	-58	-28.1	0	0	0	114.4	H40	H40-D42 IonicContact CE1-OD1 3.03Å; H40-D42 PolarHBondContact CE1-OD1 2.87Å; H40-D42 IonicContact ND1-OD1 2.65Å; H40-D42 PolarHBondContact ND1-OD1 3.3Å; H40-D42 IonicContact NE2-OD1 2.65Å
43	A	41.9	Very low	40.8	Very low	74 Å²	74	85.2 Å²	85.2	61%	0.612	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-25.7	-175.8	0	0	0	0	0	114.1	D41	D41-A43 PolarHBondContact O-N 2.63Å
44	D	40.8	Very low	41	Very low	128 Å²	128	83.3 Å²	83.3	68%	0.684	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-154.6	7.3	-164.9	-77.7	-44.9	0	0	0	114.9	D41	D41-D44 PolarHBondContact O-N 2.73Å
45	N	44.5	Very low	41	Very low	32 Å²	32	80.3 Å²	80.3	17%	0.171	42%	0.424	C	S	.	.			trans	-111.4	68.8	-175.3	-156.6	2.5	0	0	0	115	N39 D41 D47 Y48	N39-N45 PolarHBondContact O-ND2 2.73Å; D41-N45 HydrophobicContact CB-CB 4.39Å; D41-N45 PolarHBondContact O-N 3.19Å; N45-D47 PolarHBondContact O-N 2.78Å; N45-D47 WeakPolarHBondContact OD1-CB 3.29Å; N45-D47 PolarHBondContact OD1-N 2.94Å; N45-Y48 PolarHBondContact O-N 2.71Å
46	F	47.6	Very low	40.9	Very low	84 Å²	84	77.8 Å²	77.8	37%	0.368	41%	0.409	S	S	.	.	H	α-helix	trans	-56.2	-31.2	172.1	-71	-84.3	0	0	0	112.4	Y48 D49 H50 H273	F46-Y48 PolarHBondContact O-N 3.48Å; F46-Y48 VanDerWaalsContact O-N 3.16Å; F46-D49 PolarHBondContact O-N 2.87Å; F46-D49 VanDerWaalsContact O-N 3.09Å; F46-H50 VanDerWaalsContact C-ND1 3.28Å; F46-H50 PolarHBondContact O-N 3.49Å; F46-H50 PolarHBondContact O-ND1 3.47Å; F46-H273 AromaticContact CD2-CD2 3.78Å; F46-H273 AromaticContact CD2-NE2 3.69Å
47	D	41.1	Very low	40.8	Very low	54 Å²	54	83.9 Å²	83.9	29%	0.289	44%	0.442	S	S	.	.	H	α-helix	trans	-59.8	-29.1	-179.9	-60.8	-37.8	0	0	0	113	R38 N45 E51	R38-D47 IonicContact CZ-OD2 3.39Å; R38-D47 IonicContact NH1-OD1 3.63Å; R38-D47 IonicContact NH1-OD2 2.69Å; R38-D47 PolarHBondContact NH1-OD2 3.15Å; N45-D47 PolarHBondContact O-N 2.78Å; N45-D47 WeakPolarHBondContact OD1-CB 3.29Å; N45-D47 PolarHBondContact OD1-N 2.94Å; D47-E51 PolarHBondContact O-N 3.12Å; D47-E51 VanDerWaalsContact O-N 3.1Å
48	Y	40.7	Very low	40.8	Very low	47 Å²	47	83 Å²	83	18%	0.184	43%	0.434	C	S	.	.	H	α-helix	trans	-71.7	-44.8	175.4	-172.5	-83.1	0	0	0	111.4	H40 N45 F46 H50 E51 A52	H40-Y48 HydrophobicContact CB-CD1 4.22Å; H40-Y48 HydrophobicContact CB-CD2 3.84Å; H40-Y48 HydrophobicContact CB-CE1 4.15Å; H40-Y48 HydrophobicContact CB-CE2 3.82Å; H40-Y48 HydrophobicContact CB-CG 4.04Å; H40-Y48 AromaticContact CD2-CD1 3.04Å; H40-Y48 WeakPolarHBondContact CD2-CD1 3.13Å; H40-Y48 AromaticContact CD2-CE1 3.39Å; H40-Y48 WeakPolarHBondContact CD2-CE1 3.37Å; H40-Y48 AromaticContact CD2-CG 3.45Å; H40-Y48 VanDerWaalsContact CD2-CG 3.45Å; H40-Y48 AromaticContact CG-CD1 3.89Å; H40-Y48 AromaticContact CG-CE1 3.89Å; H40-Y48 AromaticContact NE2-CD1 3.8Å; N45-Y48 PolarHBondContact O-N 2.71Å; F46-Y48 PolarHBondContact O-N 3.48Å; F46-Y48 VanDerWaalsContact O-N 3.16Å; Y48-H50 PolarHBondContact O-N 3.46Å; Y48-E51 PolarHBondContact O-N 3.24Å; Y48-A52 VanDerWaalsContact O-CB 3.26Å; Y48-A52 WeakPolarHBondContact O-CB 3.41Å; Y48-A52 PolarHBondContact O-N 3.01Å
49	D	42.2	Very low	40.7	Very low	87 Å²	87	79.2 Å²	79.2	47%	0.465	43%	0.429	S	S	.	.	H	α-helix	trans	-63.1	-33.3	175.5	-65.5	-19.3	0	0	0	111.2	H40 F46 F53	H40-D49 IonicContact NE2-OD1 3.96Å; F46-D49 PolarHBondContact O-N 2.87Å; F46-D49 VanDerWaalsContact O-N 3.09Å; D49-F53 VanDerWaalsContact O-CB 3.31Å; D49-F53 WeakPolarHBondContact O-CB 3.37Å; D49-F53 PolarHBondContact O-N 3.44Å
50	H	47.3	Very low	40.6	Very low	37 Å²	37	77.9 Å²	77.9	17%	0.171	42%	0.417	C	S	.	.	H	α-helix	trans	-68	-47.7	175.7	-76.1	92.2	0	0	0	112.8	F46 Y48 A52 F53 L54 E270 F306	F46-H50 VanDerWaalsContact C-ND1 3.28Å; F46-H50 PolarHBondContact O-N 3.49Å; F46-H50 PolarHBondContact O-ND1 3.47Å; Y48-H50 PolarHBondContact O-N 3.46Å; H50-A52 VanDerWaalsContact C-N 3.33Å; H50-F53 PolarHBondContact O-N 2.87Å; H50-L54 WeakPolarHBondContact O-CB 3.33Å; H50-L54 PolarHBondContact O-N 3.18Å; H50-E270 IonicContact CE1-OE2 3.89Å; H50-E270 IonicContact NE2-OE2 2.89Å; H50-F306 AromaticContact CD2-CE1 3.99Å
51	E	39.2	Very low	40.8	Very low	39 Å²	39	76.3 Å²	76.3	18%	0.182	41%	0.412	C	S	.	.	H	α-helix	trans	-70.7	-29.2	177.8	-78	-179.3	-163.8	0	0	112.1	S36 D47 Y48 G55 A59	S36-E51 WeakPolarHBondContact CA-OE2 3.34Å; S36-E51 WeakPolarHBondContact CB-OE2 3.37Å; S36-E51 VanDerWaalsContact OG-CD 3.27Å; S36-E51 PolarHBondContact OG-OE2 3.31Å; D47-E51 PolarHBondContact O-N 3.12Å; D47-E51 VanDerWaalsContact O-N 3.1Å; Y48-E51 PolarHBondContact O-N 3.24Å; E51-G55 WeakPolarHBondContact O-CA 3.27Å; E51-G55 PolarHBondContact O-N 2.99Å; E51-G55 VanDerWaalsContact O-N 3.17Å; E51-A59 HydrophobicContact CG-CB 4.3Å
52	A	37.8	Very low	40.8	Very low	48 Å²	48	76.2 Å²	76.2	40%	0.397	41%	0.406	S	S	.	.	H	α-helix	trans	-72.4	-34	175.3	0	0	0	0	0	113.4	Y48 H50	Y48-A52 VanDerWaalsContact O-CB 3.26Å; Y48-A52 WeakPolarHBondContact O-CB 3.41Å; Y48-A52 PolarHBondContact O-N 3.01Å; H50-A52 VanDerWaalsContact C-N 3.33Å
53	F	34.8	Very low	41	Very low	183 Å²	183	78 Å²	78	80%	0.803	42%	0.416	S	S	*	.	H	α-helix	trans	-83.7	-35	-178	-169.2	-98.8	0	0	0	113.7	D49 H50	D49-F53 VanDerWaalsContact O-CB 3.31Å; D49-F53 WeakPolarHBondContact O-CB 3.37Å; D49-F53 PolarHBondContact O-N 3.44Å; H50-F53 PolarHBondContact O-N 2.87Å
54	L	37.9	Very low	41.6	Very low	51 Å²	51	80.8 Å²	80.8	27%	0.267	42%	0.417	S	S	.	.	H	α-helix	trans	-100.4	-18.8	-173	-62.9	165.8	0	0	0	113.2	H50 E58 F306	H50-L54 WeakPolarHBondContact O-CB 3.33Å; H50-L54 PolarHBondContact O-N 3.18Å; L54-E58 WeakPolarHBondContact CB-OE2 3.39Å; L54-F306 HydrophobicContact CD1-CD1 3.78Å; L54-F306 HydrophobicContact CD1-CD2 4.03Å; L54-F306 HydrophobicContact CD1-CE1 3.28Å; L54-F306 HydrophobicContact CD1-CE2 3.53Å; L54-F306 HydrophobicContact CD1-CG 4.14Å; L54-F306 HydrophobicContact CD1-CZ 3.14Å; L54-F306 HydrophobicContact CD2-CE2 4.27Å; L54-F306 HydrophobicContact CD2-CZ 4.46Å; L54-F306 HydrophobicContact CG-CZ 4.39Å
55	G	34.7	Very low	42.5	Very low	34 Å²	34	76.5 Å²	76.5	35%	0.351	39%	0.393	S	S	.	.			trans	78.9	148.7	-174.1	0	0	0	0	0	113	E51 D57 E58	E51-G55 WeakPolarHBondContact O-CA 3.27Å; E51-G55 PolarHBondContact O-N 2.99Å; E51-G55 VanDerWaalsContact O-N 3.17Å; G55-D57 PolarHBondContact O-N 2.86Å; G55-E58 PolarHBondContact O-N 3.4Å
56	Q	35	Very low	44.1	Very low	49 Å²	49	78.2 Å²	78.2	23%	0.229	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.5	-173	-70	-173.1	-17.4	0	0	115.8	L34 K60	L34-Q56 PolarHBondContact O-NE2 2.89Å; Q56-K60 WeakPolarHBondContact O-CE 3.42Å; Q56-K60 WeakPolarHBondContact O-CG 3.46Å
57	D	36.2	Very low	45.4	Very low	128 Å²	128	77 Å²	77	68%	0.684	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-22.2	-176.6	-75	-23.1	0	0	0	112.7	G55 K60	G55-D57 PolarHBondContact O-N 2.86Å; D57-K60 IonicContact OD1-NZ 3.08Å; D57-K60 PolarHBondContact OD1-NZ 3.27Å
58	E	40.4	Very low	47.2	Very low	97 Å²	97	80.9 Å²	80.9	45%	0.453	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-28.3	177.2	-66	179.1	175.5	0	0	112	L54 G55 K60 T61	L54-E58 WeakPolarHBondContact CB-OE2 3.39Å; G55-E58 PolarHBondContact O-N 3.4Å; E58-K60 PolarHBondContact O-N 3.12Å; E58-T61 PolarHBondContact O-OG1 3.12Å
59	A	40.4	Very low	48.9	Very low	45 Å²	45	82.4 Å²	82.4	37%	0.372	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-67.8	-15.7	169.8	0	0	0	0	0	113.5	E51 F62	E51-A59 HydrophobicContact CG-CB 4.3Å; A59-F62 WeakPolarHBondContact O-CB 3.42Å
60	K	39.1	Very low	50.5	Low	121 Å²	121	78.7 Å²	78.7	53%	0.526	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-84.1	-4	-176.2	-73.9	171.2	-163.8	159.5	0	114.9	Q56 D57 E58 F62	Q56-K60 WeakPolarHBondContact O-CE 3.42Å; Q56-K60 WeakPolarHBondContact O-CG 3.46Å; D57-K60 IonicContact OD1-NZ 3.08Å; D57-K60 PolarHBondContact OD1-NZ 3.27Å; E58-K60 PolarHBondContact O-N 3.12Å; K60-F62 PolarHBondContact O-N 3.16Å
61	T	45.5	Very low	52	Low	42 Å²	42	80.5 Å²	80.5	26%	0.258	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-65.3	-11.5	169	35.7	0	0	0	0	113	E58 D63 F306	E58-T61 PolarHBondContact O-OG1 3.12Å; T61-D63 PolarHBondContact O-N 3.1Å; T61-D63 VanDerWaalsContact O-N 3.13Å; T61-F306 PolarHBondContact OG1-O 3.14Å
62	F	44.6	Very low	53.9	Low	111 Å²	111	84.6 Å²	84.6	49%	0.487	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-51.8	-27.2	175.4	-174.8	-104.3	0	0	0	115.1	A59 K60 Q64 V299	A59-F62 WeakPolarHBondContact O-CB 3.42Å; K60-F62 PolarHBondContact O-N 3.16Å; F62-Q64 PolarHBondContact O-N 2.78Å; F62-V299 HydrophobicContact CD2-CG1 4.13Å
63	D	48.8	Very low	55.7	Low	146 Å²	146	84.3 Å²	84.3	78%	0.781	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-88.1	6.2	-170	-90.2	-12.5	0	0	0	115.9	T61	T61-D63 PolarHBondContact O-N 3.1Å; T61-D63 VanDerWaalsContact O-N 3.13Å
64	Q	54.7	Low	57.7	Low	134 Å²	134	75.7 Å²	75.7	63%	0.626	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-89.2	-21	-171.9	-63.3	-170.4	13.7	0	0	115.4	F62	F62-Q64 PolarHBondContact O-N 2.78Å
65	L	60.3	Low	59.8	Low	38 Å²	38	73.4 Å²	73.4	20%	0.199	38%	0.378	C	S	.	.	S	Bend	trans	-127.9	145.4	-174	-66.2	173.6	0	0	0	112.1	E69 S70 L310	L65-E69 HydrophobicContact CB-CB 4.32Å; L65-E69 HydrophobicContact CD2-CB 4.32Å; L65-S70 WeakPolarHBondContact CB-OG 2.91Å; L65-L310 HydrophobicContact CD1-CB 3.98Å; L65-L310 WeakPolarHBondContact CD1-O 3.49Å
66	T	77.2	Confident	62	Low	67 Å²	67	75.2 Å²	75.2	41%	0.411	38%	0.378	S	S	.	.			trans	-69.3	153.1	172.5	58.3	0	0	0	0	110.9	E68 E69 S70	T66-E68 PolarHBondContact O-N 3.35Å; T66-E68 VanDerWaalsContact O-N 3.11Å; T66-E69 PolarHBondContact N-OE2 3.03Å; T66-E69 PolarHBondContact O-N 2.72Å; T66-E69 VanDerWaalsContact OG1-CD 3.28Å; T66-E69 VanDerWaalsContact OG1-CG 3.24Å; T66-E69 WeakPolarHBondContact OG1-CG 3.48Å; T66-E69 PolarHBondContact OG1-N 2.8Å; T66-E69 PolarHBondContact OG1-OE2 3.48Å; T66-S70 PolarHBondContact O-N 2.92Å; T66-S70 PolarHBondContact O-OG 3.16Å
67	P	75.5	Confident	64.1	Low	58 Å²	58	73 Å²	73	38%	0.377	37%	0.368	S	S	.	.	H	α-helix	trans	-52.9	-35.1	176.8	-28	35.8	0	0	0	113.3	K71 Y295	P67-K71 WeakPolarHBondContact O-CB 3.4Å; P67-K71 WeakPolarHBondContact O-CG 3.34Å; P67-K71 PolarHBondContact O-N 2.87Å; P67-Y295 HydrophobicContact CB-CE2 4.2Å
68	E	79.6	Confident	66.4	Low	136 Å²	136	67.2 Å²	67.2	64%	0.636	34%	0.337	S	S	*	.	H	α-helix	trans	-67.2	-42.8	175.7	-69.3	72.5	-160.3	0	0	112.8	T66 K71 E72	T66-E68 PolarHBondContact O-N 3.35Å; T66-E68 VanDerWaalsContact O-N 3.11Å; E68-K71 PolarHBondContact O-N 3.15Å; E68-E72 PolarHBondContact O-N 3.27Å
69	E	76.8	Confident	68.4	Low	79 Å²	79	68.7 Å²	68.7	37%	0.369	34%	0.344	S	S	.	.	H	α-helix	trans	-68	-42	176.6	-73.1	167.8	137.3	0	0	111.6	L65 T66 K71 E72 R73	L65-E69 HydrophobicContact CB-CB 4.32Å; L65-E69 HydrophobicContact CD2-CB 4.32Å; T66-E69 PolarHBondContact N-OE2 3.03Å; T66-E69 PolarHBondContact O-N 2.72Å; T66-E69 VanDerWaalsContact OG1-CD 3.28Å; T66-E69 VanDerWaalsContact OG1-CG 3.24Å; T66-E69 WeakPolarHBondContact OG1-CG 3.48Å; T66-E69 PolarHBondContact OG1-N 2.8Å; T66-E69 PolarHBondContact OG1-OE2 3.48Å; E69-K71 VanDerWaalsContact C-N 3.3Å; E69-K71 PolarHBondContact O-N 3.37Å; E69-E72 PolarHBondContact O-N 3.21Å; E69-R73 WeakPolarHBondContact O-CB 3.43Å; E69-R73 WeakPolarHBondContact O-CG 3.22Å; E69-R73 PolarHBondContact O-N 2.91Å
70	S	73.8	Confident	70.4	Confident	10 Å²	10	71.3 Å²	71.3	7%	0.07	34%	0.344	C	S	.	.	H	α-helix	trans	-60.7	-41.5	175.6	-61.7	0	0	0	0	111.2	L65 T66 R73 L74	L65-S70 WeakPolarHBondContact CB-OG 2.91Å; T66-S70 PolarHBondContact O-N 2.92Å; T66-S70 PolarHBondContact O-OG 3.16Å; S70-R73 PolarHBondContact O-N 3.04Å; S70-L74 VanDerWaalsContact O-CB 3.25Å; S70-L74 WeakPolarHBondContact O-CB 3.18Å; S70-L74 VanDerWaalsContact O-CG 3.25Å; S70-L74 WeakPolarHBondContact O-CG 3.06Å; S70-L74 PolarHBondContact O-N 3.28Å
71	K	78.8	Confident	72.6	Confident	75 Å²	75	65.8 Å²	65.8	33%	0.326	32%	0.321	S	S	.	.	H	α-helix	trans	-65.6	-40.9	175.3	-76.8	177	-178.4	178.2	0	113.1	P67 E68 E69 G75 V292 Y295	P67-K71 WeakPolarHBondContact O-CB 3.4Å; P67-K71 WeakPolarHBondContact O-CG 3.34Å; P67-K71 PolarHBondContact O-N 2.87Å; E68-K71 PolarHBondContact O-N 3.15Å; E69-K71 VanDerWaalsContact C-N 3.3Å; E69-K71 PolarHBondContact O-N 3.37Å; K71-G75 PolarHBondContact O-N 3.11Å; K71-V292 HydrophobicContact CB-CG1 3.71Å; K71-V292 HydrophobicContact CD-CG1 4.09Å; K71-V292 HydrophobicContact CG-CG1 3.71Å; K71-Y295 HydrophobicContact CD-CD1 4.45Å; K71-Y295 HydrophobicContact CG-CD1 4.38Å; K71-Y295 HydrophobicContact CG-CG 4.07Å
72	E	80	Confident	74.7	Confident	125 Å²	125	64.6 Å²	64.6	58%	0.584	31%	0.312	S	S	*	.	H	α-helix	trans	-63.6	-47.7	175.9	-179	173.1	-164.8	0	0	111.1	E68 E69 G75 M76	E68-E72 PolarHBondContact O-N 3.27Å; E69-E72 PolarHBondContact O-N 3.21Å; E72-G75 WeakPolarHBondContact O-CA 3.16Å; E72-G75 PolarHBondContact O-N 3.05Å; E72-M76 HydrophobicContact CG-CE 4Å; E72-M76 PolarHBondContact O-N 2.74Å; E72-M76 VanDerWaalsContact O-N 3.11Å
73	R	75.7	Confident	76.8	Confident	42 Å²	42	64.9 Å²	64.9	16%	0.158	32%	0.315	C	S	.	.	H	α-helix	trans	-65.3	-45.9	179.3	-73.3	-170.6	-165.3	-157.5	5.1	112.1	E69 S70 G75 M76 L77 L310 A311 F316	E69-R73 WeakPolarHBondContact O-CB 3.43Å; E69-R73 WeakPolarHBondContact O-CG 3.22Å; E69-R73 PolarHBondContact O-N 2.91Å; S70-R73 PolarHBondContact O-N 3.04Å; R73-G75 PolarHBondContact O-N 2.77Å; R73-M76 WeakPolarHBondContact O-CB 3.29Å; R73-M76 PolarHBondContact O-N 3.36Å; R73-L77 PolarHBondContact O-N 3.48Å; R73-L310 HydrophobicContact CB-CD2 3.89Å; R73-L310 WeakPolarHBondContact CD-O 3.28Å; R73-L310 PolarHBondContact NH1-O 2.85Å; R73-A311 PolarHBondContact NH1-O 2.84Å; R73-F316 HydrophobicContact CB-CD1 4.27Å; R73-F316 HydrophobicContact CB-CE1 3.51Å; R73-F316 HydrophobicContact CB-CE2 4.19Å; R73-F316 HydrophobicContact CB-CZ 3.47Å; R73-F316 VanDerWaalsContact CB-CZ 3.47Å; R73-F316 HydrophobicContact CG-CD1 4.34Å; R73-F316 HydrophobicContact CG-CD2 4.32Å; R73-F316 HydrophobicContact CG-CE1 3.95Å; R73-F316 HydrophobicContact CG-CE2 3.92Å; R73-F316 HydrophobicContact CG-CZ 3.73Å; R73-F316 WeakPolarHBondContact O-CE1 3.4Å
74	L	77.8	Confident	78.8	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-55.4	-42.9	170.4	-80.4	167.3	0	0	0	111.3	S70 M76 L77 V78 V292 Y295 F298 V299 T304 L310	S70-L74 VanDerWaalsContact O-CB 3.25Å; S70-L74 WeakPolarHBondContact O-CB 3.18Å; S70-L74 VanDerWaalsContact O-CG 3.25Å; S70-L74 WeakPolarHBondContact O-CG 3.06Å; S70-L74 PolarHBondContact O-N 3.28Å; L74-M76 VanDerWaalsContact C-N 3.26Å; L74-M76 PolarHBondContact O-N 2.96Å; L74-L77 HydrophobicContact CD2-CD2 4.27Å; L74-L77 WeakPolarHBondContact O-CA 3.24Å; L74-L77 VanDerWaalsContact O-CB 3.26Å; L74-L77 WeakPolarHBondContact O-CB 3.29Å; L74-L77 PolarHBondContact O-N 3.25Å; L74-V78 WeakPolarHBondContact O-CG2 3.48Å; L74-V78 PolarHBondContact O-N 3.46Å; L74-V292 HydrophobicContact CB-CG2 4.46Å; L74-Y295 VanDerWaalsContact CD1-CB 3.45Å; L74-F298 HydrophobicContact CD1-CB 4.36Å; L74-F298 HydrophobicContact CD2-CB 3.74Å; L74-V299 HydrophobicContact CD1-CG2 4.07Å; L74-T304 HydrophobicContact CD2-CG2 3.86Å; L74-L310 HydrophobicContact CD2-CD1 4.33Å; L74-L310 HydrophobicContact CD2-CD2 4.24Å; L74-L310 HydrophobicContact CG-CD1 4.16Å; L74-L310 HydrophobicContact CG-CD2 4.17Å
75	G	81.9	Confident	80.5	Confident	3 Å²	3	64.7 Å²	64.7	3%	0.031	31%	0.31	C	S	.	.	H	α-helix	trans	-59	-35.1	176.9	0	0	0	0	0	113.9	K71 E72 R73 K288	K71-G75 PolarHBondContact O-N 3.11Å; E72-G75 WeakPolarHBondContact O-CA 3.16Å; E72-G75 PolarHBondContact O-N 3.05Å; R73-G75 PolarHBondContact O-N 2.77Å; G75-K288 VanDerWaalsContact CA-CE 3.49Å; G75-K288 WeakPolarHBondContact O-CE 3.4Å; G75-K288 PolarHBondContact O-NZ 2.72Å
76	M	79.9	Confident	81.9	Confident	73 Å²	73	66.4 Å²	66.4	36%	0.36	32%	0.32	S	S	.	.	H	α-helix	trans	-74.8	-36.2	173.2	-65.9	178.5	-173.8	0	0	111.6	E72 R73 L74 V78 E79 F316	E72-M76 HydrophobicContact CG-CE 4Å; E72-M76 PolarHBondContact O-N 2.74Å; E72-M76 VanDerWaalsContact O-N 3.11Å; R73-M76 WeakPolarHBondContact O-CB 3.29Å; R73-M76 PolarHBondContact O-N 3.36Å; L74-M76 VanDerWaalsContact C-N 3.26Å; L74-M76 PolarHBondContact O-N 2.96Å; M76-V78 VanDerWaalsContact C-N 3.34Å; M76-V78 PolarHBondContact O-N 2.7Å; M76-E79 WeakPolarHBondContact O-CB 3.48Å; M76-E79 PolarHBondContact O-N 3.19Å; M76-F316 HydrophobicContact CB-CD1 3.7Å; M76-F316 HydrophobicContact CB-CE1 4.33Å; M76-F316 HydrophobicContact CG-CD1 4.4Å; M76-F316 HydrophobicContact SD-CB 3.91Å; M76-F316 HydrophobicContact SD-CD1 3.9Å; M76-F316 HydrophobicContact SD-CG 4.16Å
77	L	79.4	Confident	82.5	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-60.3	-43.1	176.2	-166.5	68.5	0	0	0	111.6	R73 L74 E79 R80 I81 W97 T304	R73-L77 PolarHBondContact O-N 3.48Å; L74-L77 HydrophobicContact CD2-CD2 4.27Å; L74-L77 WeakPolarHBondContact O-CA 3.24Å; L74-L77 VanDerWaalsContact O-CB 3.26Å; L74-L77 WeakPolarHBondContact O-CB 3.29Å; L74-L77 PolarHBondContact O-N 3.25Å; L77-E79 PolarHBondContact O-N 3.22Å; L77-E79 VanDerWaalsContact O-N 3.16Å; L77-R80 WeakPolarHBondContact O-CA 3.05Å; L77-R80 WeakPolarHBondContact O-CB 3.33Å; L77-R80 PolarHBondContact O-N 3.05Å; L77-I81 HydrophobicContact CD2-CD1 4.38Å; L77-I81 HydrophobicContact CG-CD1 4.09Å; L77-I81 HydrophobicContact CG-CG1 4.42Å; L77-I81 WeakPolarHBondContact O-CG1 3.37Å; L77-I81 PolarHBondContact O-N 2.92Å; L77-W97 HydrophobicContact CD1-CH2 3.92Å; L77-W97 HydrophobicContact CD1-CZ2 3.26Å; L77-W97 HydrophobicContact CG-CZ2 4.23Å; L77-T304 HydrophobicContact CD2-CG2 3.69Å
78	V	83.7	Confident	83.2	Confident	7 Å²	7	67.5 Å²	67.5	4%	0.042	32%	0.324	C	S	.	.	H	α-helix	trans	-52.8	-39	176.5	176.9	0	0	0	0	111.7	L74 M76 R80 I81 D82 V89 K288 I291	L74-V78 WeakPolarHBondContact O-CG2 3.48Å; L74-V78 PolarHBondContact O-N 3.46Å; M76-V78 VanDerWaalsContact C-N 3.34Å; M76-V78 PolarHBondContact O-N 2.7Å; V78-R80 PolarHBondContact O-N 3.5Å; V78-I81 PolarHBondContact O-N 2.86Å; V78-D82 WeakPolarHBondContact O-CB 3.44Å; V78-D82 PolarHBondContact O-N 3.29Å; V78-V89 HydrophobicContact CG1-CG2 3.83Å; V78-K288 HydrophobicContact CB-CG 4.43Å; V78-K288 HydrophobicContact CG1-CB 4.05Å; V78-K288 HydrophobicContact CG1-CG 4.43Å; V78-K288 HydrophobicContact CG2-CG 4.44Å; V78-I291 HydrophobicContact CB-CD1 4.49Å; V78-I291 HydrophobicContact CG1-CD1 4.15Å; V78-I291 HydrophobicContact CG2-CB 3.97Å; V78-I291 HydrophobicContact CG2-CD1 3.56Å; V78-I291 HydrophobicContact CG2-CG1 4.34Å; V78-I291 HydrophobicContact CG2-CG2 3.75Å
79	E	82.9	Confident	83.7	Confident	128 Å²	128	61 Å²	61	60%	0.598	29%	0.293	S	S	*	.	H	α-helix	trans	-69.7	-18.9	179.6	-62.3	176.2	-163.1	0	0	113.3	M76 L77 K288	M76-E79 WeakPolarHBondContact O-CB 3.48Å; M76-E79 PolarHBondContact O-N 3.19Å; L77-E79 PolarHBondContact O-N 3.22Å; L77-E79 VanDerWaalsContact O-N 3.16Å; E79-K288 IonicContact OE1-NZ 3.82Å; E79-K288 PolarHBondContact OE1-NZ 3Å
80	R	82.1	Confident	84.4	Confident	99 Å²	99	58.4 Å²	58.4	37%	0.374	28%	0.284	S	S	.	.	H	α-helix	trans	-89.5	-29.5	172	-65.8	-171.6	177	-168.6	1.7	112.5	L77 V78 W97 D314 E315 F316	L77-R80 WeakPolarHBondContact O-CA 3.05Å; L77-R80 WeakPolarHBondContact O-CB 3.33Å; L77-R80 PolarHBondContact O-N 3.05Å; V78-R80 PolarHBondContact O-N 3.5Å; R80-W97 HydrophobicContact CB-CE3 4.44Å; R80-W97 HydrophobicContact CB-CH2 4.11Å; R80-W97 HydrophobicContact CB-CZ3 3.76Å; R80-D314 PolarHBondContact NH1-O 2.95Å; R80-E315 PolarHBondContact NE-O 3.3Å; R80-E315 PolarHBondContact NH1-O 3.36Å; R80-E315 PolarHBondContact NH2-O 2.94Å; R80-F316 PolarHBondContact NH2-OXT 3Å
81	I	86.3	Confident	85.2	Confident	6 Å²	6	59.4 Å²	59.4	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-72.5	-43.9	176.5	-56.9	168.7	0	0	0	110.3	L77 V78 E83 V89 E93 M94 W97	L77-I81 HydrophobicContact CD2-CD1 4.38Å; L77-I81 HydrophobicContact CG-CD1 4.09Å; L77-I81 HydrophobicContact CG-CG1 4.42Å; L77-I81 WeakPolarHBondContact O-CG1 3.37Å; L77-I81 PolarHBondContact O-N 2.92Å; V78-I81 PolarHBondContact O-N 2.86Å; I81-E83 PolarHBondContact O-N 3.32Å; I81-V89 HydrophobicContact CB-CG1 4.43Å; I81-V89 HydrophobicContact CB-CG2 4.12Å; I81-V89 HydrophobicContact CG2-CB 4.37Å; I81-V89 HydrophobicContact CG2-CG1 3.44Å; I81-V89 VanDerWaalsContact CG2-CG1 3.44Å; I81-V89 HydrophobicContact CG2-CG2 3.99Å; I81-E93 HydrophobicContact CG2-CB 4.26Å; I81-M94 HydrophobicContact CD1-CE 4.42Å; I81-M94 HydrophobicContact CD1-SD 4.26Å; I81-M94 HydrophobicContact CG2-SD 4.49Å; I81-W97 HydrophobicContact CB-CB 4.46Å; I81-W97 HydrophobicContact CB-CG 4.45Å; I81-W97 HydrophobicContact CD1-CG 4.25Å; I81-W97 HydrophobicContact CG1-CB 4.04Å; I81-W97 HydrophobicContact CG1-CD2 3.71Å; I81-W97 HydrophobicContact CG1-CE3 4.24Å; I81-W97 HydrophobicContact CG1-CG 3.56Å; I81-W97 HydrophobicContact CG2-CB 3.99Å; I81-W97 HydrophobicContact CG2-CG 4.42Å
82	D	89.2	Confident	85.8	Confident	16 Å²	16	61.7 Å²	61.7	9%	0.086	30%	0.301	C	S	.	.			trans	-68.4	88.9	175.6	178.5	7.5	0	0	0	110.7	V78 D84 K85 N86 G87 V89	V78-D82 WeakPolarHBondContact O-CB 3.44Å; V78-D82 PolarHBondContact O-N 3.29Å; D82-D84 VanDerWaalsContact OD1-OD1 3.13Å; D82-K85 WeakPolarHBondContact OD1-CA 3.43Å; D82-K85 PolarHBondContact OD1-N 3.2Å; D82-K85 WeakPolarHBondContact OD2-CA 3.42Å; D82-N86 PolarHBondContact OD1-N 3.48Å; D82-N86 VanDerWaalsContact OD1-N 3.15Å; D82-N86 PolarHBondContact OD2-N 2.85Å; D82-G87 VanDerWaalsContact OD2-CA 3.29Å; D82-G87 WeakPolarHBondContact OD2-CA 3.39Å; D82-G87 PolarHBondContact OD2-N 3.27Å; D82-V89 HydrophobicContact CB-CG2 4.34Å
83	E	88.4	Confident	86.3	Confident	118 Å²	118	56.6 Å²	56.6	55%	0.551	28%	0.277	S	S	*	.	S	Bend	trans	-76.4	-36.4	-173.6	-173.9	177.3	-173.1	0	0	111.3	I81 K85 E93 K96	I81-E83 PolarHBondContact O-N 3.32Å; E83-K85 VanDerWaalsContact C-N 3.34Å; E83-E93 PolarHBondContact N-OE1 3.15Å; E83-K96 IonicContact OE1-NZ 2.77Å; E83-K96 PolarHBondContact OE1-NZ 3.3Å; E83-K96 WeakPolarHBondContact OE2-CD 3.4Å; E83-K96 WeakPolarHBondContact OE2-CE 3.35Å; E83-K96 IonicContact OE2-NZ 2.65Å; E83-K96 PolarHBondContact OE2-NZ 3.44Å
84	D	90.7	Very high	87	Confident	102 Å²	102	54.6 Å²	54.6	55%	0.545	27%	0.27	S	S	.	.	S	Bend	trans	-84.8	-9.3	-179.3	81.3	3	0	0	0	113.6	D82 N86 E93	D82-D84 VanDerWaalsContact OD1-OD1 3.13Å; D84-N86 VanDerWaalsContact C-N 3.28Å; D84-N86 PolarHBondContact O-N 2.92Å; D84-N86 WeakPolarHBondContact OD1-CB 3.36Å; D84-N86 PolarHBondContact OD1-N 3.14Å; D84-N86 PolarHBondContact OD1-ND2 3.35Å; D84-N86 PolarHBondContact OD2-ND2 3.1Å; D84-E93 PolarHBondContact N-OE1 3.15Å
85	K	91.1	Very high	87.4	Confident	173 Å²	173	56 Å²	56	75%	0.752	28%	0.276	S	S	*	.			trans	62.4	33.1	177.3	-55.9	-176.1	178.8	-174.4	0	112.8	D82 E83 G87	D82-K85 WeakPolarHBondContact OD1-CA 3.43Å; D82-K85 PolarHBondContact OD1-N 3.2Å; D82-K85 WeakPolarHBondContact OD2-CA 3.42Å; E83-K85 VanDerWaalsContact C-N 3.34Å; K85-G87 VanDerWaalsContact C-N 3.25Å
86	N	90.2	Very high	87.7	Confident	75 Å²	75	61 Å²	61	40%	0.401	30%	0.297	S	S	.	.	S	Bend	trans	-81	-7.5	178.2	72.1	27.6	0	0	0	112.6	D82 D84 Y88	D82-N86 PolarHBondContact OD1-N 3.48Å; D82-N86 VanDerWaalsContact OD1-N 3.15Å; D82-N86 PolarHBondContact OD2-N 2.85Å; D84-N86 VanDerWaalsContact C-N 3.28Å; D84-N86 PolarHBondContact O-N 2.92Å; D84-N86 WeakPolarHBondContact OD1-CB 3.36Å; D84-N86 PolarHBondContact OD1-N 3.14Å; D84-N86 PolarHBondContact OD1-ND2 3.35Å; D84-N86 PolarHBondContact OD2-ND2 3.1Å; N86-Y88 WeakPolarHBondContact O-CD2 3.44Å; N86-Y88 WeakPolarHBondContact OD1-CA 3.47Å; N86-Y88 VanDerWaalsContact OD1-CB 3.24Å; N86-Y88 WeakPolarHBondContact OD1-CB 3.47Å; N86-Y88 PolarHBondContact OD1-N 3.24Å; N86-Y88 PolarHBondContact OD1-O 2.86Å; N86-Y88 VanDerWaalsContact OD1-O 3.11Å
87	G	88.4	Confident	88.2	Confident	45 Å²	45	58.8 Å²	58.8	46%	0.464	29%	0.285	S	S	.	.	S	Bend	trans	90	4.6	-179.8	0	0	0	0	0	114.5	D82 K85	D82-G87 VanDerWaalsContact OD2-CA 3.29Å; D82-G87 WeakPolarHBondContact OD2-CA 3.39Å; D82-G87 PolarHBondContact OD2-N 3.27Å; K85-G87 VanDerWaalsContact C-N 3.25Å
88	Y	91.4	Very high	88.3	Confident	102 Å²	102	58.8 Å²	58.8	40%	0.4	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	154	179.7	-58.7	-94.9	0	0	0	109.8	N86 H285 L286 T287	N86-Y88 WeakPolarHBondContact O-CD2 3.44Å; N86-Y88 WeakPolarHBondContact OD1-CA 3.47Å; N86-Y88 VanDerWaalsContact OD1-CB 3.24Å; N86-Y88 WeakPolarHBondContact OD1-CB 3.47Å; N86-Y88 PolarHBondContact OD1-N 3.24Å; N86-Y88 PolarHBondContact OD1-O 2.86Å; N86-Y88 VanDerWaalsContact OD1-O 3.11Å; Y88-H285 HydrophobicContact CD1-CB 4.1Å; Y88-H285 HydrophobicContact CG-CB 4.44Å; Y88-L286 CarbonylContact C-O 3.59Å; Y88-L286 WeakPolarHBondContact CA-O 3.43Å; Y88-T287 HydrophobicContact CD1-CG2 3.83Å; Y88-T287 HydrophobicContact CE1-CG2 3.7Å
89	V	89.9	Confident	88.3	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	116.1	173.2	173.3	0	0	0	0	108.7	V78 I81 D82 E93 M94 L286 I291	V78-V89 HydrophobicContact CG1-CG2 3.83Å; I81-V89 HydrophobicContact CB-CG1 4.43Å; I81-V89 HydrophobicContact CB-CG2 4.12Å; I81-V89 HydrophobicContact CG2-CB 4.37Å; I81-V89 HydrophobicContact CG2-CG1 3.44Å; I81-V89 VanDerWaalsContact CG2-CG1 3.44Å; I81-V89 HydrophobicContact CG2-CG2 3.99Å; D82-V89 HydrophobicContact CB-CG2 4.34Å; V89-E93 HydrophobicContact CG1-CB 4.48Å; V89-M94 HydrophobicContact CG1-CB 4.17Å; V89-M94 HydrophobicContact CG1-CE 3.65Å; V89-L286 HydrophobicContact CB-CB 4.33Å; V89-L286 PolarHBondContact N-O 3.45Å; V89-L286 PolarHBondContact O-N 3.34Å; V89-I291 HydrophobicContact CB-CD1 4.15Å; V89-I291 HydrophobicContact CG2-CD1 3.96Å
90	S	91.9	Very high	88.4	Confident	24 Å²	24	61 Å²	61	17%	0.168	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	161.9	172.8	65.5	0	0	0	0	112.3	E92 E93 M94	S90-E92 PolarHBondContact O-N 2.84Å; S90-E93 WeakPolarHBondContact CB-OE2 3.35Å; S90-E93 PolarHBondContact N-OE2 3Å; S90-E93 PolarHBondContact O-N 3.21Å; S90-E93 WeakPolarHBondContact OG-CG 3.3Å; S90-E93 PolarHBondContact OG-N 3.28Å; S90-E93 PolarHBondContact OG-OE2 2.88Å; S90-M94 PolarHBondContact O-N 3.05Å
91	V	89.9	Confident	88.3	Confident	32 Å²	32	56.6 Å²	56.6	19%	0.194	28%	0.277	C	S	.	.	H	α-helix	trans	-53.9	-40.2	172.3	176.2	0	0	0	0	111.5	M94 K95 A271 K272 V275	V91-M94 PolarHBondContact O-N 3.05Å; V91-K95 VanDerWaalsContact O-CB 3.24Å; V91-K95 WeakPolarHBondContact O-CB 3.21Å; V91-K95 PolarHBondContact O-N 2.86Å; V91-A271 HydrophobicContact CG1-CB 4.16Å; V91-K272 HydrophobicContact CG1-CG 3.71Å; V91-V275 HydrophobicContact CG2-CB 3.96Å; V91-V275 HydrophobicContact CG2-CG1 3.99Å; V91-V275 HydrophobicContact CG2-CG2 3.75Å
92	E	90.8	Very high	87.9	Confident	123 Å²	123	59.5 Å²	59.5	58%	0.575	29%	0.291	S	S	*	.	H	α-helix	trans	-68.2	-39.8	-179.2	-66.2	-59.1	136.4	0	0	112.3	S90 K96	S90-E92 PolarHBondContact O-N 2.84Å; E92-K96 WeakPolarHBondContact O-CB 3.13Å; E92-K96 PolarHBondContact O-N 2.84Å
93	E	91.6	Very high	87.6	Confident	17 Å²	17	64.1 Å²	64.1	8%	0.079	31%	0.31	C	S	.	.	H	α-helix	trans	-66.6	-44.5	175	-75.9	165.7	138.1	0	0	111.4	I81 E83 D84 V89 S90 K95 K96 W97	I81-E93 HydrophobicContact CG2-CB 4.26Å; E83-E93 PolarHBondContact N-OE1 3.15Å; D84-E93 PolarHBondContact N-OE1 3.15Å; V89-E93 HydrophobicContact CG1-CB 4.48Å; S90-E93 WeakPolarHBondContact CB-OE2 3.35Å; S90-E93 PolarHBondContact N-OE2 3Å; S90-E93 PolarHBondContact O-N 3.21Å; S90-E93 WeakPolarHBondContact OG-CG 3.3Å; S90-E93 PolarHBondContact OG-N 3.28Å; S90-E93 PolarHBondContact OG-OE2 2.88Å; E93-K95 PolarHBondContact O-N 3.36Å; E93-K96 PolarHBondContact O-N 3.27Å; E93-W97 WeakPolarHBondContact O-CB 3.33Å; E93-W97 PolarHBondContact O-N 2.8Å
94	M	88.8	Confident	87.3	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.3	-48.3	175	-171.8	65.1	73.4	0	0	111.4	I81 V89 S90 V91 K96 W97 I98 A271 L274 L286 F298 A303	I81-M94 HydrophobicContact CD1-CE 4.42Å; I81-M94 HydrophobicContact CD1-SD 4.26Å; I81-M94 HydrophobicContact CG2-SD 4.49Å; V89-M94 HydrophobicContact CG1-CB 4.17Å; V89-M94 HydrophobicContact CG1-CE 3.65Å; S90-M94 PolarHBondContact O-N 3.05Å; V91-M94 PolarHBondContact O-N 3.05Å; M94-K96 VanDerWaalsContact C-N 3.33Å; M94-K96 PolarHBondContact O-N 3Å; M94-W97 WeakPolarHBondContact O-CB 3.38Å; M94-W97 PolarHBondContact O-N 3.17Å; M94-I98 HydrophobicContact CG-CD1 4.04Å; M94-I98 WeakPolarHBondContact O-CG1 3.46Å; M94-I98 PolarHBondContact O-N 3.5Å; M94-A271 HydrophobicContact CB-CB 3.94Å; M94-A271 HydrophobicContact CG-CB 3.87Å; M94-L274 HydrophobicContact CG-CD1 4.24Å; M94-L274 HydrophobicContact SD-CD1 4.2Å; M94-L286 HydrophobicContact CE-CD1 4.21Å; M94-F298 HydrophobicContact CE-CE1 3.44Å; M94-F298 VanDerWaalsContact CE-CE1 3.44Å; M94-F298 HydrophobicContact CE-CZ 3.95Å; M94-F298 HydrophobicContact SD-CE1 4.16Å; M94-A303 HydrophobicContact SD-CB 3.96Å
95	K	87.9	Confident	86.8	Confident	30 Å²	30	60.4 Å²	60.4	13%	0.13	28%	0.284	C	S	.	.	H	α-helix	trans	-56.9	-46.5	176.2	174.2	-176.5	178.7	169.3	0	111.6	V91 E93 W97 I98 K99 D265 A267 E268 A271	V91-K95 VanDerWaalsContact O-CB 3.24Å; V91-K95 WeakPolarHBondContact O-CB 3.21Å; V91-K95 PolarHBondContact O-N 2.86Å; E93-K95 PolarHBondContact O-N 3.36Å; K95-W97 VanDerWaalsContact C-N 3.31Å; K95-I98 PolarHBondContact O-N 2.88Å; K95-K99 WeakPolarHBondContact O-CG 3.2Å; K95-K99 PolarHBondContact O-N 2.93Å; K95-K99 VanDerWaalsContact O-N 3.12Å; K95-D265 WeakPolarHBondContact CE-OD2 3.26Å; K95-D265 IonicContact NZ-OD2 3.78Å; K95-D265 PolarHBondContact NZ-OD2 3.11Å; K95-A267 HydrophobicContact CG-CB 4.32Å; K95-E268 HydrophobicContact CD-CB 3.81Å; K95-E268 HydrophobicContact CD-CG 4.07Å; K95-E268 HydrophobicContact CG-CB 4.4Å; K95-E268 IonicContact NZ-OE2 3.59Å; K95-E268 PolarHBondContact NZ-OE2 3.17Å; K95-A271 HydrophobicContact CB-CB 3.84Å
96	K	88	Confident	86.3	Confident	110 Å²	110	52.5 Å²	52.5	48%	0.478	25%	0.249	S	C	.	.	H	α-helix	trans	-64.8	-39	179.1	-174	176.4	174.7	-176.3	0	111.3	E83 E92 E93 M94 H100	E83-K96 IonicContact OE1-NZ 2.77Å; E83-K96 PolarHBondContact OE1-NZ 3.3Å; E83-K96 WeakPolarHBondContact OE2-CD 3.4Å; E83-K96 WeakPolarHBondContact OE2-CE 3.35Å; E83-K96 IonicContact OE2-NZ 2.65Å; E83-K96 PolarHBondContact OE2-NZ 3.44Å; E92-K96 WeakPolarHBondContact O-CB 3.13Å; E92-K96 PolarHBondContact O-N 2.84Å; E93-K96 PolarHBondContact O-N 3.27Å; M94-K96 VanDerWaalsContact C-N 3.33Å; M94-K96 PolarHBondContact O-N 3Å; K96-H100 WeakPolarHBondContact O-CB 3.49Å; K96-H100 PolarHBondContact O-N 2.94Å
97	W	88.8	Confident	86	Confident	26 Å²	26	54.1 Å²	54.1	10%	0.098	25%	0.251	C	S	.	.	H	α-helix	trans	-63.5	-48.6	175.1	177.8	-99.6	0	0	0	112.1	L77 R80 I81 E93 M94 K95 K99 H100 S101 A303	L77-W97 HydrophobicContact CD1-CH2 3.92Å; L77-W97 HydrophobicContact CD1-CZ2 3.26Å; L77-W97 HydrophobicContact CG-CZ2 4.23Å; R80-W97 HydrophobicContact CB-CE3 4.44Å; R80-W97 HydrophobicContact CB-CH2 4.11Å; R80-W97 HydrophobicContact CB-CZ3 3.76Å; I81-W97 HydrophobicContact CB-CB 4.46Å; I81-W97 HydrophobicContact CB-CG 4.45Å; I81-W97 HydrophobicContact CD1-CG 4.25Å; I81-W97 HydrophobicContact CG1-CB 4.04Å; I81-W97 HydrophobicContact CG1-CD2 3.71Å; I81-W97 HydrophobicContact CG1-CE3 4.24Å; I81-W97 HydrophobicContact CG1-CG 3.56Å; I81-W97 HydrophobicContact CG2-CB 3.99Å; I81-W97 HydrophobicContact CG2-CG 4.42Å; E93-W97 WeakPolarHBondContact O-CB 3.33Å; E93-W97 PolarHBondContact O-N 2.8Å; M94-W97 WeakPolarHBondContact O-CB 3.38Å; M94-W97 PolarHBondContact O-N 3.17Å; K95-W97 VanDerWaalsContact C-N 3.31Å; W97-K99 VanDerWaalsContact C-N 3.33Å; W97-K99 PolarHBondContact O-N 3.3Å; W97-H100 CarbonylContact O-C 3.37Å; W97-H100 WeakPolarHBondContact O-CA 3.47Å; W97-H100 WeakPolarHBondContact O-CB 3.37Å; W97-H100 PolarHBondContact O-N 3.35Å; W97-S101 WeakPolarHBondContact O-CB 3.43Å; W97-S101 PolarHBondContact O-N 3.45Å; W97-A303 PolarHBondContact NE1-O 3.3Å
98	I	82.3	Confident	85.7	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-54.7	-49.8	177.1	-69.5	163.7	0	0	0	110.4	M94 K95 H100 S101 Q102 A267 E270 A271 L274 Q302 A303	M94-I98 HydrophobicContact CG-CD1 4.04Å; M94-I98 WeakPolarHBondContact O-CG1 3.46Å; M94-I98 PolarHBondContact O-N 3.5Å; K95-I98 PolarHBondContact O-N 2.88Å; I98-H100 VanDerWaalsContact C-N 3.28Å; I98-H100 PolarHBondContact O-N 3.01Å; I98-S101 PolarHBondContact O-N 2.92Å; I98-Q102 WeakPolarHBondContact O-CB 3.28Å; I98-Q102 PolarHBondContact O-N 2.98Å; I98-A267 HydrophobicContact CB-CB 4.24Å; I98-A267 HydrophobicContact CG2-CB 3.78Å; I98-E270 HydrophobicContact CD1-CB 4.17Å; I98-E270 HydrophobicContact CD1-CG 3.87Å; I98-A271 HydrophobicContact CD1-CB 4.08Å; I98-L274 HydrophobicContact CD1-CD1 4.19Å; I98-Q302 HydrophobicContact CG2-CB 3.83Å; I98-A303 HydrophobicContact CG1-CB 3.97Å
99	K	84.1	Confident	85.3	Confident	77 Å²	77	51 Å²	51	34%	0.335	23%	0.23	S	C	.	.	H	α-helix	trans	-61.9	-35	176.7	-68.9	-169.9	-177.8	-166.4	0	113.2	K95 W97 K103 D265 A267	K95-K99 WeakPolarHBondContact O-CG 3.2Å; K95-K99 PolarHBondContact O-N 2.93Å; K95-K99 VanDerWaalsContact O-N 3.12Å; W97-K99 VanDerWaalsContact C-N 3.33Å; W97-K99 PolarHBondContact O-N 3.3Å; K99-K103 WeakPolarHBondContact O-CB 3.29Å; K99-K103 WeakPolarHBondContact O-CG 3.49Å; K99-K103 PolarHBondContact O-N 3.01Å; K99-D265 WeakPolarHBondContact CE-OD1 3.46Å; K99-D265 IonicContact NZ-OD1 2.63Å; K99-D265 PolarHBondContact NZ-OD1 3.43Å; K99-D265 IonicContact NZ-OD2 2.65Å; K99-D265 PolarHBondContact NZ-OD2 3.47Å; K99-A267 HydrophobicContact CD-CB 4.27Å; K99-A267 HydrophobicContact CG-CB 3.57Å
100	H	84	Confident	85.2	Confident	104 Å²	104	51 Å²	51	48%	0.481	23%	0.23	S	C	.	.	H	α-helix	trans	-70.4	-44.8	177.5	179.4	64.3	0	0	0	111.6	K96 W97 I98 K103 R104	K96-H100 WeakPolarHBondContact O-CB 3.49Å; K96-H100 PolarHBondContact O-N 2.94Å; W97-H100 CarbonylContact O-C 3.37Å; W97-H100 WeakPolarHBondContact O-CA 3.47Å; W97-H100 WeakPolarHBondContact O-CB 3.37Å; W97-H100 PolarHBondContact O-N 3.35Å; I98-H100 VanDerWaalsContact C-N 3.28Å; I98-H100 PolarHBondContact O-N 3.01Å; H100-K103 PolarHBondContact O-N 3.44Å; H100-R104 PolarHBondContact O-N 2.94Å
101	S	80.8	Confident	84.9	Confident	7 Å²	7	52.5 Å²	52.5	5%	0.049	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-50.7	178.4	-164.4	0	0	0	0	110.8	W97 I98 K103 R104 W105	W97-S101 WeakPolarHBondContact O-CB 3.43Å; W97-S101 PolarHBondContact O-N 3.45Å; I98-S101 PolarHBondContact O-N 2.92Å; S101-K103 PolarHBondContact O-N 3.38Å; S101-R104 WeakPolarHBondContact O-CB 3.33Å; S101-R104 PolarHBondContact O-N 2.85Å; S101-R104 VanDerWaalsContact O-N 3.12Å; S101-W105 PolarHBondContact O-N 3.12Å
102	Q	78	Confident	84.8	Confident	67 Å²	67	56.4 Å²	56.4	31%	0.313	25%	0.248	S	C	.	.	H	α-helix	trans	-55.6	-49.5	177.2	-169.2	-165.6	0.4	0	0	111.4	I98 R104 W105 I106 E185	I98-Q102 WeakPolarHBondContact O-CB 3.28Å; I98-Q102 PolarHBondContact O-N 2.98Å; Q102-R104 VanDerWaalsContact C-N 3.32Å; Q102-R104 PolarHBondContact O-N 3.44Å; Q102-W105 PolarHBondContact O-N 3.37Å; Q102-I106 HydrophobicContact CG-CD1 4.35Å; Q102-I106 WeakPolarHBondContact O-CG1 3.16Å; Q102-I106 PolarHBondContact O-N 3.01Å; Q102-E185 PolarHBondContact NE2-OE1 3.04Å
103	K	83.1	Confident	84.5	Confident	114 Å²	114	54.1 Å²	54.1	50%	0.496	24%	0.237	S	C	.	.	H	α-helix	trans	-59.6	-42.5	177.6	-78	-177.7	179.6	-171.5	0	112.6	K99 H100 S101 I106 Y107	K99-K103 WeakPolarHBondContact O-CB 3.29Å; K99-K103 WeakPolarHBondContact O-CG 3.49Å; K99-K103 PolarHBondContact O-N 3.01Å; H100-K103 PolarHBondContact O-N 3.44Å; S101-K103 PolarHBondContact O-N 3.38Å; K103-I106 PolarHBondContact O-N 2.97Å; K103-Y107 WeakPolarHBondContact O-CD2 3.49Å; K103-Y107 PolarHBondContact O-N 3.24Å
104	R	80.9	Confident	84.4	Confident	77 Å²	77	54.8 Å²	54.8	29%	0.291	24%	0.239	S	C	.	.	H	α-helix	trans	-62.6	-45.4	178.6	-177.1	179.2	178.4	178.2	-0.9	110.9	H100 S101 Q102 I106 Y107 D108	H100-R104 PolarHBondContact O-N 2.94Å; S101-R104 WeakPolarHBondContact O-CB 3.33Å; S101-R104 PolarHBondContact O-N 2.85Å; S101-R104 VanDerWaalsContact O-N 3.12Å; Q102-R104 VanDerWaalsContact C-N 3.32Å; Q102-R104 PolarHBondContact O-N 3.44Å; R104-I106 VanDerWaalsContact C-N 3.33Å; R104-I106 PolarHBondContact O-N 3.34Å; R104-Y107 PolarHBondContact O-N 3.06Å; R104-D108 PolarHBondContact O-N 2.86Å
105	W	81.1	Confident	84.2	Confident	65 Å²	65	62.8 Å²	62.8	25%	0.246	27%	0.273	C	S	.	.	H	α-helix	trans	-57.2	-46.6	175.4	174	90.1	0	0	0	111.8	S101 Q102 Y107 D108 D109 H182	S101-W105 PolarHBondContact O-N 3.12Å; Q102-W105 PolarHBondContact O-N 3.37Å; W105-Y107 VanDerWaalsContact C-N 3.34Å; W105-Y107 PolarHBondContact O-N 3.39Å; W105-D108 PolarHBondContact O-N 3.22Å; W105-D108 VanDerWaalsContact O-N 3.13Å; W105-D109 PolarHBondContact O-N 3.31Å; W105-H182 AromaticContact CH2-CE1 3.72Å; W105-H182 AromaticContact CZ3-CE1 3.38Å; W105-H182 WeakPolarHBondContact CZ3-CE1 3.49Å; W105-H182 AromaticContact CZ3-ND1 3.91Å
106	I	80.9	Confident	84.1	Confident	6 Å²	6	63.2 Å²	63.2	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-56.1	-47.8	175.9	-72.1	-179.4	0	0	0	111.3	Q102 K103 R104 D108 D109 V110 T178 H182 E185	Q102-I106 HydrophobicContact CG-CD1 4.35Å; Q102-I106 WeakPolarHBondContact O-CG1 3.16Å; Q102-I106 PolarHBondContact O-N 3.01Å; K103-I106 PolarHBondContact O-N 2.97Å; R104-I106 VanDerWaalsContact C-N 3.33Å; R104-I106 PolarHBondContact O-N 3.34Å; I106-D108 VanDerWaalsContact C-N 3.35Å; I106-D108 PolarHBondContact O-N 2.89Å; I106-D109 PolarHBondContact O-N 3.17Å; I106-V110 WeakPolarHBondContact O-CB 3.49Å; I106-V110 WeakPolarHBondContact O-CG2 3.47Å; I106-V110 PolarHBondContact O-N 3.26Å; I106-T178 HydrophobicContact CG2-CG2 3.53Å; I106-H182 HydrophobicContact CD1-CB 4.26Å; I106-H182 HydrophobicContact CG2-CB 4.25Å; I106-E185 HydrophobicContact CD1-CG 3.3Å
107	Y	84.3	Confident	84.1	Confident	109 Å²	109	58.7 Å²	58.7	43%	0.427	27%	0.267	S	S	.	.	H	α-helix	trans	-65	-38.5	177.5	-78.7	-67.4	0	0	0	112.7	K103 R104 W105 D111	K103-Y107 WeakPolarHBondContact O-CD2 3.49Å; K103-Y107 PolarHBondContact O-N 3.24Å; R104-Y107 PolarHBondContact O-N 3.06Å; W105-Y107 VanDerWaalsContact C-N 3.34Å; W105-Y107 PolarHBondContact O-N 3.39Å; Y107-D111 WeakPolarHBondContact O-CB 3.46Å; Y107-D111 PolarHBondContact O-N 3.39Å
108	D	82.3	Confident	84.2	Confident	53 Å²	53	58.9 Å²	58.9	28%	0.283	27%	0.27	S	S	.	.	H	α-helix	trans	-67.5	-39.4	177.9	-74.3	-19.4	0	0	0	111.3	R104 W105 I106 D111 R112 R312	R104-D108 PolarHBondContact O-N 2.86Å; W105-D108 PolarHBondContact O-N 3.22Å; W105-D108 VanDerWaalsContact O-N 3.13Å; I106-D108 VanDerWaalsContact C-N 3.35Å; I106-D108 PolarHBondContact O-N 2.89Å; D108-D111 PolarHBondContact O-N 3.48Å; D108-R112 WeakPolarHBondContact O-CG 3.42Å; D108-R112 PolarHBondContact O-N 3.24Å; D108-R312 IonicContact OD2-NH1 2.76Å
109	D	81.6	Confident	84.4	Confident	29 Å²	29	64.3 Å²	64.3	16%	0.155	30%	0.299	C	S	.	.	H	α-helix	trans	-64.2	-49.1	173.7	-169.7	60.4	0	0	0	111.8	W105 I106 D111 R112 Q113 H182	W105-D109 PolarHBondContact O-N 3.31Å; I106-D109 PolarHBondContact O-N 3.17Å; D109-D111 VanDerWaalsContact C-N 3.25Å; D109-D111 PolarHBondContact O-N 2.96Å; D109-R112 WeakPolarHBondContact O-CB 3.36Å; D109-R112 PolarHBondContact O-N 2.83Å; D109-R112 IonicContact OD1-CZ 3.85Å; D109-R112 IonicContact OD1-NE 3.51Å; D109-R112 IonicContact OD1-NH2 3.94Å; D109-R112 PolarHBondContact OD1-NH2 2.9Å; D109-Q113 WeakPolarHBondContact O-CG 3.22Å; D109-Q113 PolarHBondContact O-N 3.49Å; D109-H182 IonicContact OD2-NE2 2.94Å
110	V	87.6	Confident	84.7	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-54	-44.6	173.1	168.5	0	0	0	0	110.6	I106 R112 Q113 W114 K174 F177 T178 L181	I106-V110 WeakPolarHBondContact O-CB 3.49Å; I106-V110 WeakPolarHBondContact O-CG2 3.47Å; I106-V110 PolarHBondContact O-N 3.26Å; V110-R112 VanDerWaalsContact C-N 3.33Å; V110-R112 PolarHBondContact O-N 3Å; V110-Q113 PolarHBondContact O-N 2.94Å; V110-W114 WeakPolarHBondContact O-CA 3.27Å; V110-W114 WeakPolarHBondContact O-CB 3.37Å; V110-W114 PolarHBondContact O-N 2.59Å; V110-K174 HydrophobicContact CG1-CG 4.17Å; V110-F177 HydrophobicContact CG1-CD1 4.2Å; V110-T178 HydrophobicContact CG2-CG2 3.92Å; V110-L181 HydrophobicContact CG2-CD1 4.08Å
111	D	87.2	Confident	85	Confident	55 Å²	55	63 Å²	63	29%	0.294	31%	0.313	S	S	.	.	H	α-helix	trans	-66.3	-31.8	179.1	-94.9	-38.8	0	0	0	114	Y107 D108 D109 K115 K174	Y107-D111 WeakPolarHBondContact O-CB 3.46Å; Y107-D111 PolarHBondContact O-N 3.39Å; D108-D111 PolarHBondContact O-N 3.48Å; D109-D111 VanDerWaalsContact C-N 3.25Å; D109-D111 PolarHBondContact O-N 2.96Å; D111-K115 WeakPolarHBondContact O-CG 3.48Å; D111-K174 VanDerWaalsContact OD1-CE 3.23Å; D111-K174 WeakPolarHBondContact OD1-CE 3.4Å; D111-K174 IonicContact OD1-NZ 2.78Å; D111-K174 PolarHBondContact OD1-NZ 3.34Å; D111-K174 IonicContact OD2-NZ 2.73Å; D111-K174 PolarHBondContact OD2-NZ 2.62Å
112	R	86.3	Confident	85.5	Confident	115 Å²	115	66.2 Å²	66.2	43%	0.434	33%	0.329	S	S	.	.	H	α-helix	trans	-69.3	-49.5	172.4	-71.1	-176.4	-57	-109.4	9.8	110.6	D108 D109 V110	D108-R112 WeakPolarHBondContact O-CG 3.42Å; D108-R112 PolarHBondContact O-N 3.24Å; D109-R112 WeakPolarHBondContact O-CB 3.36Å; D109-R112 PolarHBondContact O-N 2.83Å; D109-R112 IonicContact OD1-CZ 3.85Å; D109-R112 IonicContact OD1-NE 3.51Å; D109-R112 IonicContact OD1-NH2 3.94Å; D109-R112 PolarHBondContact OD1-NH2 2.9Å; V110-R112 VanDerWaalsContact C-N 3.33Å; V110-R112 PolarHBondContact O-N 3Å
113	Q	85.4	Confident	86.2	Confident	74 Å²	74	65 Å²	65	35%	0.346	34%	0.335	S	S	.	.	H	α-helix	trans	-64.6	-42.1	-179.7	-66.4	-63.4	-21.3	0	0	111.3	D109 V110 K115 G116 H117 F177 L181	D109-Q113 WeakPolarHBondContact O-CG 3.22Å; D109-Q113 PolarHBondContact O-N 3.49Å; V110-Q113 PolarHBondContact O-N 2.94Å; Q113-K115 VanDerWaalsContact C-N 3.3Å; Q113-K115 PolarHBondContact O-N 3.4Å; Q113-G116 WeakPolarHBondContact O-CA 3.33Å; Q113-G116 PolarHBondContact O-N 3.31Å; Q113-H117 PolarHBondContact O-N 2.59Å; Q113-H117 PolarHBondContact O-ND1 2.84Å; Q113-H117 PolarHBondContact OE1-CE1 3.06Å; Q113-H117 VanDerWaalsContact OE1-CE1 3.28Å; Q113-F177 HydrophobicContact CB-CE1 3.94Å; Q113-F177 HydrophobicContact CB-CZ 4.35Å; Q113-L181 HydrophobicContact CB-CD1 3.84Å; Q113-L181 HydrophobicContact CG-CD1 3.94Å
114	W	88.3	Confident	86.7	Confident	31 Å²	31	61.8 Å²	61.8	12%	0.117	32%	0.323	C	S	.	.	H	α-helix	trans	-53.3	-46.3	-178.3	-170.6	-80.6	0	0	0	112.2	V110 G116 H117 D118 G123 V125 A172 N173 K174 F177	V110-W114 WeakPolarHBondContact O-CA 3.27Å; V110-W114 WeakPolarHBondContact O-CB 3.37Å; V110-W114 PolarHBondContact O-N 2.59Å; W114-G116 PolarHBondContact O-N 2.98Å; W114-H117 PolarHBondContact O-N 3.42Å; W114-H117 VanDerWaalsContact O-N 3.1Å; W114-D118 PolarHBondContact O-N 3.06Å; W114-G123 WeakPolarHBondContact CZ2-O 3.33Å; W114-V125 HydrophobicContact CD2-CG2 4.06Å; W114-V125 HydrophobicContact CE3-CG2 3.93Å; W114-V125 HydrophobicContact CH2-CG2 4.02Å; W114-V125 HydrophobicContact CZ2-CG2 4.16Å; W114-V125 HydrophobicContact CZ3-CG2 3.88Å; W114-A172 WeakPolarHBondContact CH2-O 3.35Å; W114-N173 VanDerWaalsContact CH2-C 3.5Å; W114-K174 HydrophobicContact CE3-CB 4.46Å; W114-K174 HydrophobicContact CE3-CG 4.2Å; W114-K174 HydrophobicContact CH2-CB 4.22Å; W114-K174 HydrophobicContact CZ3-CB 4.06Å; W114-K174 HydrophobicContact CZ3-CG 4.28Å; W114-F177 HydrophobicContact CE3-CB 3.99Å; W114-F177 AromaticContact CE3-CD1 3.58Å; W114-F177 HydrophobicContact CE3-CD1 3.58Å; W114-F177 HydrophobicContact CE3-CE1 4.3Å; W114-F177 AromaticContact CE3-CG 3.97Å; W114-F177 HydrophobicContact CE3-CG 3.97Å; W114-F177 HydrophobicContact CZ3-CB 3.51Å; W114-F177 HydrophobicContact CZ3-CD1 4.01Å; W114-F177 AromaticContact CZ3-CG 3.9Å; W114-F177 HydrophobicContact CZ3-CG 3.9Å
115	K	86.3	Confident	87.4	Confident	168 Å²	168	58.1 Å²	58.1	73%	0.73	31%	0.309	S	S	*	.	H	α-helix	trans	-64.6	-26	179.8	-68.4	171.1	-171.9	162.8	0	113.5	D111 Q113	D111-K115 WeakPolarHBondContact O-CG 3.48Å; Q113-K115 VanDerWaalsContact C-N 3.3Å; Q113-K115 PolarHBondContact O-N 3.4Å
116	G	85.4	Confident	88.1	Confident	40 Å²	40	56 Å²	56	41%	0.412	30%	0.304	S	S	.	.	H	α-helix	trans	-81.9	-19.8	176.6	0	0	0	0	0	113.6	Q113 W114 L119	Q113-G116 WeakPolarHBondContact O-CA 3.33Å; Q113-G116 PolarHBondContact O-N 3.31Å; W114-G116 PolarHBondContact O-N 2.98Å; G116-L119 WeakPolarHBondContact O-CD2 3.05Å
117	H	88.2	Confident	88.8	Confident	14 Å²	14	56.3 Å²	56.3	7%	0.065	31%	0.305	C	S	.	.	H	α-helix	trans	-113.3	-27.9	-170	-66.5	94	0	0	0	113.9	Q113 W114 L119 V125 E129 Y130 T134 F177	Q113-H117 PolarHBondContact O-N 2.59Å; Q113-H117 PolarHBondContact O-ND1 2.84Å; Q113-H117 PolarHBondContact OE1-CE1 3.06Å; Q113-H117 VanDerWaalsContact OE1-CE1 3.28Å; W114-H117 PolarHBondContact O-N 3.42Å; W114-H117 VanDerWaalsContact O-N 3.1Å; H117-L119 PolarHBondContact O-N 3.44Å; H117-V125 HydrophobicContact CB-CG1 3.81Å; H117-V125 HydrophobicContact CB-CG2 4.07Å; H117-E129 WeakPolarHBondContact O-CB 2.98Å; H117-Y130 AromaticContact CD2-CD2 3.6Å; H117-Y130 AromaticContact NE2-CD2 3.79Å; H117-Y130 AromaticContact NE2-CE2 3.9Å; H117-T134 PolarHBondContact NE2-OG1 3.44Å; H117-F177 HydrophobicContact CB-CZ 4.43Å
118	D	90.6	Very high	89.1	Confident	31 Å²	31	56 Å²	56	17%	0.166	31%	0.307	C	S	.	.			trans	-77.3	75.4	169.6	-178.6	6.7	0	0	0	110.2	W114 N120 G121 D122 G123 V125	W114-D118 PolarHBondContact O-N 3.06Å; D118-N120 VanDerWaalsContact C-N 3.35Å; D118-G121 WeakPolarHBondContact OD1-CA 3.33Å; D118-G121 PolarHBondContact OD1-N 3.32Å; D118-D122 PolarHBondContact OD1-N 3.39Å; D118-G123 WeakPolarHBondContact OD2-CA 3.25Å; D118-G123 PolarHBondContact OD2-N 2.81Å; D118-G123 VanDerWaalsContact OD2-N 3.14Å; D118-V125 HydrophobicContact CB-CG2 4.38Å
119	L	86.9	Confident	89.6	Confident	114 Å²	114	54.2 Å²	54.2	60%	0.597	30%	0.298	S	S	*	.			trans	-73.5	-29.1	-174.6	-62.4	-179.9	0	0	0	112.4	G116 H117 E129	G116-L119 WeakPolarHBondContact O-CD2 3.05Å; H117-L119 PolarHBondContact O-N 3.44Å; L119-E129 HydrophobicContact CB-CG 4.41Å
120	N	90.3	Very high	90.1	Very high	94 Å²	94	54.1 Å²	54.1	50%	0.503	30%	0.295	S	S	.	.	S	Bend	trans	-92.6	-16.6	-176.3	84	49.9	0	0	0	113	D118 D122 E129	D118-N120 VanDerWaalsContact C-N 3.35Å; N120-D122 PolarHBondContact ND2-OD2 3.2Å; N120-D122 WeakPolarHBondContact OD1-CA 3.49Å; N120-D122 WeakPolarHBondContact OD1-CB 3.25Å; N120-D122 PolarHBondContact OD1-N 2.91Å; N120-D122 PolarHBondContact OD1-OD1 3.23Å; N120-D122 PolarHBondContact OD1-OD2 3.31Å; N120-E129 WeakPolarHBondContact CB-OE1 3.46Å; N120-E129 PolarHBondContact N-OE1 3.28Å; N120-E129 PolarHBondContact ND2-OE1 3.17Å
121	G	89.8	Confident	90.2	Very high	59 Å²	59	56.4 Å²	56.4	61%	0.608	31%	0.305	S	S	*	.			trans	75.6	25	177.2	0	0	0	0	0	114.3	D118 G123	D118-G121 WeakPolarHBondContact OD1-CA 3.33Å; D118-G121 PolarHBondContact OD1-N 3.32Å; G121-G123 VanDerWaalsContact C-N 3.27Å
122	D	91.6	Very high	90.2	Very high	75 Å²	75	57.9 Å²	57.9	40%	0.401	31%	0.313	S	S	.	.	S	Bend	trans	-83.9	-3.1	177.6	70	2.2	0	0	0	113	D118 N120 L124	D118-D122 PolarHBondContact OD1-N 3.39Å; N120-D122 PolarHBondContact ND2-OD2 3.2Å; N120-D122 WeakPolarHBondContact OD1-CA 3.49Å; N120-D122 WeakPolarHBondContact OD1-CB 3.25Å; N120-D122 PolarHBondContact OD1-N 2.91Å; N120-D122 PolarHBondContact OD1-OD1 3.23Å; N120-D122 PolarHBondContact OD1-OD2 3.31Å; D122-L124 VanDerWaalsContact C-N 3.31Å; D122-L124 PolarHBondContact OD1-N 2.9Å
123	G	91.4	Very high	90.3	Very high	41 Å²	41	54.1 Å²	54.1	42%	0.423	31%	0.306	S	S	.	.	S	Bend	trans	75.6	22.3	-179.8	0	0	0	0	0	112.8	W114 D118 G121	W114-G123 WeakPolarHBondContact CZ2-O 3.33Å; D118-G123 WeakPolarHBondContact OD2-CA 3.25Å; D118-G123 PolarHBondContact OD2-N 2.81Å; D118-G123 VanDerWaalsContact OD2-N 3.14Å; G121-G123 VanDerWaalsContact C-N 3.27Å
124	L	94.3	Very high	90.2	Very high	47 Å²	47	52.8 Å²	52.8	25%	0.246	30%	0.304	C	S	.	.	S	Bend	trans	-132.4	159	168.7	-60	171.5	0	0	0	109	D122 K171 N173	D122-L124 VanDerWaalsContact C-N 3.31Å; D122-L124 PolarHBondContact OD1-N 2.9Å; L124-K171 HydrophobicContact CB-CB 4.2Å; L124-K171 HydrophobicContact CD1-CB 4.16Å; L124-K171 HydrophobicContact CD1-CD 3.99Å; L124-N173 HydrophobicContact CD2-CB 3.93Å
125	V	95.3	Very high	90	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	109.5	170.4	176.9	0	0	0	0	108.1	W114 H117 D118 F161 K171 A172 F177	W114-V125 HydrophobicContact CD2-CG2 4.06Å; W114-V125 HydrophobicContact CE3-CG2 3.93Å; W114-V125 HydrophobicContact CH2-CG2 4.02Å; W114-V125 HydrophobicContact CZ2-CG2 4.16Å; W114-V125 HydrophobicContact CZ3-CG2 3.88Å; H117-V125 HydrophobicContact CB-CG1 3.81Å; H117-V125 HydrophobicContact CB-CG2 4.07Å; D118-V125 HydrophobicContact CB-CG2 4.38Å; V125-F161 WeakPolarHBondContact O-CZ 3.41Å; V125-K171 CarbonylContact O-C 3.59Å; V125-K171 WeakPolarHBondContact O-CA 3.41Å; V125-A172 PolarHBondContact N-O 3.03Å; V125-A172 PolarHBondContact O-N 3.25Å; V125-F177 HydrophobicContact CB-CD2 4.16Å; V125-F177 HydrophobicContact CB-CE2 4.3Å; V125-F177 HydrophobicContact CG1-CD2 4.15Å; V125-F177 HydrophobicContact CG1-CE2 3.86Å; V125-F177 HydrophobicContact CG2-CD2 4.45Å; V125-F177 HydrophobicContact CG2-CE2 4.48Å
126	S	95.9	Very high	89.6	Confident	22 Å²	22	45.1 Å²	45.1	15%	0.154	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	152.8	173.9	66.5	0	0	0	0	112.1	E128 E129 Y130 L170	S126-E128 PolarHBondContact O-N 2.99Å; S126-E129 WeakPolarHBondContact CB-OE2 3.26Å; S126-E129 PolarHBondContact N-OE2 3.21Å; S126-E129 WeakPolarHBondContact O-CB 3.33Å; S126-E129 PolarHBondContact O-N 3.34Å; S126-E129 VanDerWaalsContact OG-CG 3.28Å; S126-E129 WeakPolarHBondContact OG-CG 3.26Å; S126-E129 PolarHBondContact OG-N 3.07Å; S126-E129 PolarHBondContact OG-OE2 3.21Å; S126-Y130 PolarHBondContact O-N 3.08Å; S126-L170 WeakPolarHBondContact CA-O 3.36Å
127	W	94.9	Very high	88.8	Confident	12 Å²	12	52.8 Å²	52.8	5%	0.045	30%	0.297	C	S	.	.	H	α-helix	trans	-53.8	-38.5	173.2	172	-114.9	0	0	0	112.3	Y130 K131 M154 D157 E158 F161 L170	W127-Y130 HydrophobicContact CE3-CD1 4.08Å; W127-Y130 HydrophobicContact CH2-CD1 4.29Å; W127-Y130 AromaticContact CZ3-CD1 3.59Å; W127-Y130 HydrophobicContact CZ3-CD1 3.59Å; W127-Y130 HydrophobicContact CZ3-CE1 4.11Å; W127-Y130 PolarHBondContact O-N 3.22Å; W127-K131 HydrophobicContact CZ2-CB 4.35Å; W127-K131 WeakPolarHBondContact O-CB 3.36Å; W127-K131 PolarHBondContact O-N 3.32Å; W127-M154 HydrophobicContact CH2-CG 4.36Å; W127-M154 HydrophobicContact CZ2-CG 3.96Å; W127-D157 HydrophobicContact CH2-CB 3.78Å; W127-D157 HydrophobicContact CZ3-CB 3.99Å; W127-E158 HydrophobicContact CD2-CB 4.47Å; W127-E158 HydrophobicContact CD2-CG 4.16Å; W127-E158 VanDerWaalsContact CH2-CA 3.4Å; W127-E158 HydrophobicContact CH2-CB 3.63Å; W127-E158 HydrophobicContact CH2-CG 4.34Å; W127-E158 HydrophobicContact CZ2-CB 3.38Å; W127-E158 HydrophobicContact CZ2-CG 3.75Å; W127-E158 HydrophobicContact CZ3-CB 4.26Å; W127-F161 HydrophobicContact CB-CD1 4.19Å; W127-F161 HydrophobicContact CB-CE1 4.05Å; W127-F161 HydrophobicContact CB-CZ 4.37Å; W127-F161 HydrophobicContact CE3-CB 3.83Å; W127-F161 HydrophobicContact CE3-CD1 4.35Å; W127-F161 AromaticContact CE3-CD2 3.94Å; W127-F161 HydrophobicContact CE3-CD2 3.94Å; W127-F161 AromaticContact CE3-CG 3.77Å; W127-F161 HydrophobicContact CE3-CG 3.77Å; W127-F161 HydrophobicContact CZ3-CB 4.09Å; W127-F161 HydrophobicContact CZ3-CG 4.44Å; W127-L170 PolarHBondContact N-O 3.4Å
128	E	92.3	Very high	87.7	Confident	101 Å²	101	54.4 Å²	54.4	47%	0.472	31%	0.306	S	S	.	.	H	α-helix	trans	-67.6	-35.6	177.9	-72.2	-63.8	149.3	0	0	112.5	S126 N132	S126-E128 PolarHBondContact O-N 2.99Å; E128-N132 VanDerWaalsContact O-CB 3.28Å; E128-N132 WeakPolarHBondContact O-CB 2.94Å; E128-N132 PolarHBondContact O-N 3.39Å; E128-N132 PolarHBondContact O-ND2 3.25Å
129	E	92.7	Very high	86.4	Confident	17 Å²	17	56.6 Å²	56.6	8%	0.079	32%	0.317	C	S	.	.	H	α-helix	trans	-67.4	-46.4	173.6	-76.2	164.7	137.5	0	0	111.5	H117 L119 N120 S126 K131 N132 A133	H117-E129 WeakPolarHBondContact O-CB 2.98Å; L119-E129 HydrophobicContact CB-CG 4.41Å; N120-E129 WeakPolarHBondContact CB-OE1 3.46Å; N120-E129 PolarHBondContact N-OE1 3.28Å; N120-E129 PolarHBondContact ND2-OE1 3.17Å; S126-E129 WeakPolarHBondContact CB-OE2 3.26Å; S126-E129 PolarHBondContact N-OE2 3.21Å; S126-E129 WeakPolarHBondContact O-CB 3.33Å; S126-E129 PolarHBondContact O-N 3.34Å; S126-E129 VanDerWaalsContact OG-CG 3.28Å; S126-E129 WeakPolarHBondContact OG-CG 3.26Å; S126-E129 PolarHBondContact OG-N 3.07Å; S126-E129 PolarHBondContact OG-OE2 3.21Å; E129-K131 PolarHBondContact O-N 3.45Å; E129-N132 PolarHBondContact O-N 2.65Å; E129-A133 WeakPolarHBondContact O-CB 3.19Å; E129-A133 PolarHBondContact O-N 3.2Å
130	Y	91.9	Very high	85.4	Confident	26 Å²	26	58.3 Å²	58.3	10%	0.102	33%	0.327	C	S	.	.	H	α-helix	trans	-56.4	-53.2	175	-176.7	-96.5	0	0	0	111.3	H117 S126 W127 N132 A133 T134 Y135 D157 F177 F180	H117-Y130 AromaticContact CD2-CD2 3.6Å; H117-Y130 AromaticContact NE2-CD2 3.79Å; H117-Y130 AromaticContact NE2-CE2 3.9Å; S126-Y130 PolarHBondContact O-N 3.08Å; W127-Y130 HydrophobicContact CE3-CD1 4.08Å; W127-Y130 HydrophobicContact CH2-CD1 4.29Å; W127-Y130 AromaticContact CZ3-CD1 3.59Å; W127-Y130 HydrophobicContact CZ3-CD1 3.59Å; W127-Y130 HydrophobicContact CZ3-CE1 4.11Å; W127-Y130 PolarHBondContact O-N 3.22Å; Y130-N132 VanDerWaalsContact C-N 3.32Å; Y130-N132 PolarHBondContact O-N 3.27Å; Y130-A133 PolarHBondContact O-N 3.28Å; Y130-T134 HydrophobicContact CE1-CG2 4.45Å; Y130-T134 WeakPolarHBondContact O-CB 3.37Å; Y130-T134 PolarHBondContact O-N 3.05Å; Y130-T134 PolarHBondContact O-OG1 3.06Å; Y130-T134 VanDerWaalsContact O-OG1 3.08Å; Y130-Y135 HydrophobicContact CE1-CE2 4.25Å; Y130-D157 HydrophobicContact CE1-CB 4.29Å; Y130-F177 HydrophobicContact CD2-CE2 4.07Å; Y130-F177 HydrophobicContact CD2-CZ 4.47Å; Y130-F177 HydrophobicContact CE2-CE2 4.49Å; Y130-F180 HydrophobicContact CD1-CE1 4.47Å; Y130-F180 HydrophobicContact CD1-CZ 4.28Å; Y130-F180 HydrophobicContact CD2-CE1 4.02Å; Y130-F180 HydrophobicContact CE1-CE1 4.02Å; Y130-F180 AromaticContact CE1-CZ 3.68Å; Y130-F180 HydrophobicContact CE1-CZ 3.68Å; Y130-F180 AromaticContact CE2-CE1 3.52Å; Y130-F180 HydrophobicContact CE2-CE1 3.52Å; Y130-F180 HydrophobicContact CE2-CZ 4.06Å; Y130-F180 HydrophobicContact CG-CE1 4.46Å; Y130-F180 AromaticContact CZ-CE1 3.5Å; Y130-F180 AromaticContact CZ-CZ 3.54Å
131	K	89.9	Confident	84.2	Confident	49 Å²	49	59.1 Å²	59.1	21%	0.213	33%	0.331	C	S	.	.	H	α-helix	trans	-57.5	-43.3	179.5	177.9	-177.3	165.5	-165.6	0	112.6	W127 E129 Y135 G136 M154	W127-K131 HydrophobicContact CZ2-CB 4.35Å; W127-K131 WeakPolarHBondContact O-CB 3.36Å; W127-K131 PolarHBondContact O-N 3.32Å; E129-K131 PolarHBondContact O-N 3.45Å; K131-Y135 WeakPolarHBondContact O-CA 3.41Å; K131-Y135 VanDerWaalsContact O-CB 3.3Å; K131-Y135 WeakPolarHBondContact O-CB 3.23Å; K131-Y135 PolarHBondContact O-N 3.13Å; K131-G136 PolarHBondContact O-N 3.1Å; K131-M154 HydrophobicContact CD-SD 4.04Å; K131-M154 HydrophobicContact CG-CE 4.19Å; K131-M154 HydrophobicContact CG-SD 4.1Å
132	N	87.3	Confident	82.9	Confident	85 Å²	85	61.7 Å²	61.7	46%	0.455	34%	0.337	S	S	.	.	H	α-helix	trans	-71.7	-38.1	-179.4	-73.6	-40.6	0	0	0	112.4	E128 E129 Y130 G136	E128-N132 VanDerWaalsContact O-CB 3.28Å; E128-N132 WeakPolarHBondContact O-CB 2.94Å; E128-N132 PolarHBondContact O-N 3.39Å; E128-N132 PolarHBondContact O-ND2 3.25Å; E129-N132 PolarHBondContact O-N 2.65Å; Y130-N132 VanDerWaalsContact C-N 3.32Å; Y130-N132 PolarHBondContact O-N 3.27Å; N132-G136 WeakPolarHBondContact O-CA 3.25Å; N132-G136 PolarHBondContact O-N 3.33Å
133	A	86.9	Confident	81.6	Confident	36 Å²	36	61.1 Å²	61.1	30%	0.298	33%	0.334	S	S	.	.	H	α-helix	trans	-68.4	-43.8	177	0	0	0	0	0	112	E129 Y130	E129-A133 WeakPolarHBondContact O-CB 3.19Å; E129-A133 PolarHBondContact O-N 3.2Å; Y130-A133 PolarHBondContact O-N 3.28Å
134	T	85.1	Confident	80.4	Confident	47 Å²	47	61.1 Å²	61.1	29%	0.288	33%	0.327	S	S	.	.	H	α-helix	trans	-82.3	-42.9	-175.3	-54.5	0	0	0	0	112.6	H117 Y130	H117-T134 PolarHBondContact NE2-OG1 3.44Å; Y130-T134 HydrophobicContact CE1-CG2 4.45Å; Y130-T134 WeakPolarHBondContact O-CB 3.37Å; Y130-T134 PolarHBondContact O-N 3.05Å; Y130-T134 PolarHBondContact O-OG1 3.06Å; Y130-T134 VanDerWaalsContact O-OG1 3.08Å
135	Y	83.9	Confident	78.6	Confident	8 Å²	8	68.9 Å²	68.9	3%	0.031	36%	0.362	C	S	.	.	H	α-helix	trans	-115.7	-7.6	-170.4	-58.6	-78.5	0	0	0	114.4	Y130 K131 Y137 I138 L139 M153 M154 D157	Y130-Y135 HydrophobicContact CE1-CE2 4.25Å; K131-Y135 WeakPolarHBondContact O-CA 3.41Å; K131-Y135 VanDerWaalsContact O-CB 3.3Å; K131-Y135 WeakPolarHBondContact O-CB 3.23Å; K131-Y135 PolarHBondContact O-N 3.13Å; Y135-Y137 PolarHBondContact O-N 3.36Å; Y135-Y137 VanDerWaalsContact O-N 3.09Å; Y135-I138 PolarHBondContact O-N 3.3Å; Y135-L139 WeakPolarHBondContact O-CG 3.39Å; Y135-L139 PolarHBondContact O-N 3.17Å; Y135-L139 VanDerWaalsContact O-N 3.09Å; Y135-M153 HydrophobicContact CE1-CB 4.37Å; Y135-M154 VanDerWaalsContact CB-CE 3.42Å; Y135-M154 HydrophobicContact CD1-CE 3.99Å; Y135-M154 HydrophobicContact CD2-CB 4.48Å; Y135-M154 HydrophobicContact CD2-CE 3.81Å; Y135-M154 HydrophobicContact CD2-CG 4.35Å; Y135-M154 HydrophobicContact CE1-CB 4.39Å; Y135-M154 HydrophobicContact CE2-CB 4.24Å; Y135-M154 HydrophobicContact CE2-CG 4.37Å; Y135-M154 HydrophobicContact CG-CE 3.48Å; Y135-M154 VanDerWaalsContact CG-CE 3.48Å; Y135-D157 PolarHBondContact OH-OD2 2.9Å
136	G	77.1	Confident	76.8	Confident	30 Å²	30	71.7 Å²	71.7	31%	0.309	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-28	-171.7	0	0	0	0	0	114.5	K131 N132	K131-G136 PolarHBondContact O-N 3.1Å; N132-G136 WeakPolarHBondContact O-CA 3.25Å; N132-G136 PolarHBondContact O-N 3.33Å
137	Y	68.4	Low	74.9	Confident	200 Å²	200	73.7 Å²	73.7	78%	0.784	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-15.8	176.8	-61.1	-73.2	0	0	0	114.1	Y135	Y135-Y137 PolarHBondContact O-N 3.36Å; Y135-Y137 VanDerWaalsContact O-N 3.09Å
138	I	65.5	Low	73.3	Confident	48 Å²	48	78.9 Å²	78.9	25%	0.246	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-26.8	-167.9	-56.5	175	0	0	0	111	Y135 D140 D141 Y150	Y135-I138 PolarHBondContact O-N 3.3Å; I138-D140 PolarHBondContact O-N 3.37Å; I138-D141 PolarHBondContact O-N 2.79Å; I138-Y150 HydrophobicContact CD1-CE1 4.37Å; I138-Y150 HydrophobicContact CG2-CD1 3.46Å; I138-Y150 VanDerWaalsContact CG2-CD1 3.46Å; I138-Y150 HydrophobicContact CG2-CD2 3.36Å; I138-Y150 HydrophobicContact CG2-CE1 3.49Å; I138-Y150 VanDerWaalsContact CG2-CE1 3.49Å; I138-Y150 HydrophobicContact CG2-CE2 3.36Å; I138-Y150 HydrophobicContact CG2-CG 3.38Å; I138-Y150 VanDerWaalsContact CG2-CZ 3.43Å
139	L	63	Low	72.2	Confident	77 Å²	77	75.3 Å²	75.3	40%	0.403	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.1	-179.5	-78.5	176.3	0	0	0	114.9	Y135 M154	Y135-L139 WeakPolarHBondContact O-CG 3.39Å; Y135-L139 PolarHBondContact O-N 3.17Å; Y135-L139 VanDerWaalsContact O-N 3.09Å; L139-M154 HydrophobicContact CD1-CE 3.97Å; L139-M154 HydrophobicContact CD2-CE 3.49Å; L139-M154 VanDerWaalsContact CD2-CE 3.49Å; L139-M154 HydrophobicContact CD2-SD 4.46Å; L139-M154 HydrophobicContact CG-CE 3.9Å
140	D	65	Low	71.3	Confident	151 Å²	151	78 Å²	78	81%	0.807	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-14.1	177	-76.8	-22.4	0	0	0	112.9	I138	I138-D140 PolarHBondContact O-N 3.37Å
141	D	65.1	Low	70.7	Confident	111 Å²	111	84.6 Å²	84.6	59%	0.594	44%	0.444	S	S	*	.	S	Bend	trans	-90.2	142.4	178.4	-79.8	-21.6	0	0	0	111.1	I138	I138-D141 PolarHBondContact O-N 2.79Å
142	P	62.7	Low	70.3	Confident	113 Å²	113	88 Å²	88	73%	0.734	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-63.6	143.2	174.3	25.8	-31.5	0	0	0	110.8
143	D	65.9	Low	70	Confident	63 Å²	63	87.6 Å²	87.6	34%	0.337	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-52.3	132.4	175.8	-68.1	-51.7	0	0	0	109.7	R151	D143-R151 IonicContact OD2-NH1 2.71Å; D143-R151 PolarHBondContact OD2-NH1 3.44Å; D143-R151 VanDerWaalsContact OD2-NH1 3.07Å
144	P	65	Low	70	Confident	40 Å²	40	86.9 Å²	86.9	26%	0.26	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-62	146.9	179.4	23.2	-32.2	0	0	0	111.6	D146 F148 Y150	P144-D146 VanDerWaalsContact CB-OD1 3.28Å; P144-D146 WeakPolarHBondContact CB-OD1 3.46Å; P144-D146 VanDerWaalsContact CG-OD1 3.28Å; P144-D146 WeakPolarHBondContact CG-OD1 3.42Å; P144-D146 PolarHBondContact O-N 3.28Å; P144-F148 VanDerWaalsContact CD-O 3.28Å; P144-F148 WeakPolarHBondContact CD-O 3.36Å; P144-F148 HydrophobicContact CG-CB 4.03Å; P144-F148 VanDerWaalsContact CG-O 3.3Å; P144-F148 WeakPolarHBondContact CG-O 3.47Å; P144-Y150 VanDerWaalsContact CD-CE2 3.49Å; P144-Y150 HydrophobicContact CG-CE2 4.11Å
145	E	55.9	Low	70.2	Confident	210 Å²	210	87.6 Å²	87.6	98%	0.981	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	1	-178.4	-72.8	-160.4	166.5	0	0	114
146	D	58	Low	70.4	Confident	60 Å²	60	90.2 Å²	90.2	32%	0.321	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	3.5	-175.1	64.8	-3.1	0	0	0	114.7	R28 P144 F148	R28-D146 IonicContact CZ-OD2 2.64Å; R28-D146 VanDerWaalsContact NH1-CG 3.25Å; R28-D146 IonicContact NH1-OD2 3.87Å; R28-D146 PolarHBondContact NH1-OD2 3.38Å; R28-D146 VanDerWaalsContact NH2-CG 3.32Å; R28-D146 IonicContact NH2-OD2 2.68Å; R28-D146 PolarHBondContact NH2-OD2 2.88Å; P144-D146 VanDerWaalsContact CB-OD1 3.28Å; P144-D146 WeakPolarHBondContact CB-OD1 3.46Å; P144-D146 VanDerWaalsContact CG-OD1 3.28Å; P144-D146 WeakPolarHBondContact CG-OD1 3.42Å; P144-D146 PolarHBondContact O-N 3.28Å; D146-F148 WeakPolarHBondContact OD1-CB 3.27Å; D146-F148 PolarHBondContact OD1-N 3.28Å
147	G	56.7	Low	71.1	Confident	63 Å²	63	89.8 Å²	89.8	65%	0.649	46%	0.456	S	S	*	.	S	Bend	trans	87.7	-2.2	-179.3	0	0	0	0	0	114.9	S149	G147-S149 PolarHBondContact O-N 3.38Å
148	F	60.3	Low	72.3	Confident	121 Å²	121	83.2 Å²	83.2	53%	0.531	43%	0.432	S	S	.	.			trans	-76.5	102.7	171.1	-90	-93.5	0	0	0	110.3	P144 D146 M153	P144-F148 VanDerWaalsContact CD-O 3.28Å; P144-F148 WeakPolarHBondContact CD-O 3.36Å; P144-F148 HydrophobicContact CG-CB 4.03Å; P144-F148 VanDerWaalsContact CG-O 3.3Å; P144-F148 WeakPolarHBondContact CG-O 3.47Å; D146-F148 WeakPolarHBondContact OD1-CB 3.27Å; D146-F148 PolarHBondContact OD1-N 3.28Å; F148-M153 HydrophobicContact CD1-SD 4.22Å
149	S	70.8	Confident	73.7	Confident	26 Å²	26	84.5 Å²	84.5	18%	0.182	43%	0.434	C	S	.	.			trans	-90.9	111.2	172.4	-173.7	0	0	0	0	110.7	G147 R151 Q152 M153	G147-S149 PolarHBondContact O-N 3.38Å; S149-R151 PolarHBondContact O-N 2.85Å; S149-R151 VanDerWaalsContact O-N 3.11Å; S149-Q152 WeakPolarHBondContact O-CB 3.3Å; S149-Q152 PolarHBondContact O-N 3.19Å; S149-M153 PolarHBondContact O-N 2.82Å; S149-M153 VanDerWaalsContact O-N 3.16Å
150	Y	73.6	Confident	75.2	Confident	73 Å²	73	83.6 Å²	83.6	29%	0.286	43%	0.425	S	S	.	.	H	α-helix	trans	-57.4	-27.9	173.5	-64.9	-64.6	0	0	0	112.4	I138 P144 M154	I138-Y150 HydrophobicContact CD1-CE1 4.37Å; I138-Y150 HydrophobicContact CG2-CD1 3.46Å; I138-Y150 VanDerWaalsContact CG2-CD1 3.46Å; I138-Y150 HydrophobicContact CG2-CD2 3.36Å; I138-Y150 HydrophobicContact CG2-CE1 3.49Å; I138-Y150 VanDerWaalsContact CG2-CE1 3.49Å; I138-Y150 HydrophobicContact CG2-CE2 3.36Å; I138-Y150 HydrophobicContact CG2-CG 3.38Å; I138-Y150 VanDerWaalsContact CG2-CZ 3.43Å; P144-Y150 VanDerWaalsContact CD-CE2 3.49Å; P144-Y150 HydrophobicContact CG-CE2 4.11Å; Y150-M154 VanDerWaalsContact O-CB 3.31Å; Y150-M154 WeakPolarHBondContact O-CB 3.42Å; Y150-M154 PolarHBondContact O-N 3.32Å
151	R	79.2	Confident	76.6	Confident	165 Å²	165	76.5 Å²	76.5	62%	0.623	39%	0.387	S	S	*	.	H	α-helix	trans	-67.8	-37.5	173.6	-62.9	-171.7	178.9	110.5	1.6	112.5	D143 S149 S155	D143-R151 IonicContact OD2-NH1 2.71Å; D143-R151 PolarHBondContact OD2-NH1 3.44Å; D143-R151 VanDerWaalsContact OD2-NH1 3.07Å; S149-R151 PolarHBondContact O-N 2.85Å; S149-R151 VanDerWaalsContact O-N 3.11Å; R151-S155 WeakPolarHBondContact O-CB 3.11Å; R151-S155 PolarHBondContact O-N 2.97Å; R151-S155 PolarHBondContact O-OG 3.37Å
152	Q	80.3	Confident	78.1	Confident	120 Å²	120	76.1 Å²	76.1	56%	0.561	38%	0.38	S	S	*	.	H	α-helix	trans	-67.7	-46.8	176.4	-72.2	174.9	-30.4	0	0	110.4	S149 M154 S155 R156	S149-Q152 WeakPolarHBondContact O-CB 3.3Å; S149-Q152 PolarHBondContact O-N 3.19Å; Q152-M154 PolarHBondContact O-N 2.92Å; Q152-S155 WeakPolarHBondContact CA-OG 3.4Å; Q152-S155 PolarHBondContact O-N 3.45Å; Q152-S155 VanDerWaalsContact O-N 3.08Å; Q152-S155 PolarHBondContact O-OG 2.91Å; Q152-R156 PolarHBondContact O-N 2.77Å
153	M	81.8	Confident	79.6	Confident	77 Å²	77	74.5 Å²	74.5	38%	0.379	36%	0.364	S	S	.	.	H	α-helix	trans	-56.4	-49.5	175.1	-66.1	-179	69.4	0	0	111.8	Y135 F148 S149 S155 R156 D157	Y135-M153 HydrophobicContact CE1-CB 4.37Å; F148-M153 HydrophobicContact CD1-SD 4.22Å; S149-M153 PolarHBondContact O-N 2.82Å; S149-M153 VanDerWaalsContact O-N 3.16Å; M153-S155 VanDerWaalsContact C-N 3.27Å; M153-S155 PolarHBondContact O-N 3.2Å; M153-R156 WeakPolarHBondContact O-CB 2.89Å; M153-R156 PolarHBondContact O-N 2.84Å; M153-R156 VanDerWaalsContact O-N 3.13Å; M153-D157 PolarHBondContact O-N 3.15Å
154	M	86.8	Confident	81	Confident	21 Å²	21	71.6 Å²	71.6	10%	0.103	35%	0.348	C	S	.	.	H	α-helix	trans	-58.3	-39.5	175.8	-177.5	179.7	-56.2	0	0	112.5	W127 K131 Y135 L139 Y150 Q152 E158	W127-M154 HydrophobicContact CH2-CG 4.36Å; W127-M154 HydrophobicContact CZ2-CG 3.96Å; K131-M154 HydrophobicContact CD-SD 4.04Å; K131-M154 HydrophobicContact CG-CE 4.19Å; K131-M154 HydrophobicContact CG-SD 4.1Å; Y135-M154 VanDerWaalsContact CB-CE 3.42Å; Y135-M154 HydrophobicContact CD1-CE 3.99Å; Y135-M154 HydrophobicContact CD2-CB 4.48Å; Y135-M154 HydrophobicContact CD2-CE 3.81Å; Y135-M154 HydrophobicContact CD2-CG 4.35Å; Y135-M154 HydrophobicContact CE1-CB 4.39Å; Y135-M154 HydrophobicContact CE2-CB 4.24Å; Y135-M154 HydrophobicContact CE2-CG 4.37Å; Y135-M154 HydrophobicContact CG-CE 3.48Å; Y135-M154 VanDerWaalsContact CG-CE 3.48Å; L139-M154 HydrophobicContact CD1-CE 3.97Å; L139-M154 HydrophobicContact CD2-CE 3.49Å; L139-M154 VanDerWaalsContact CD2-CE 3.49Å; L139-M154 HydrophobicContact CD2-SD 4.46Å; L139-M154 HydrophobicContact CG-CE 3.9Å; Y150-M154 VanDerWaalsContact O-CB 3.31Å; Y150-M154 WeakPolarHBondContact O-CB 3.42Å; Y150-M154 PolarHBondContact O-N 3.32Å; Q152-M154 PolarHBondContact O-N 2.92Å; M154-E158 WeakPolarHBondContact O-CB 3.39Å; M154-E158 PolarHBondContact O-N 2.73Å
155	S	88.3	Confident	82.5	Confident	63 Å²	63	70.1 Å²	70.1	44%	0.441	34%	0.338	S	S	.	.	H	α-helix	trans	-69.3	-33.4	178.6	70	0	0	0	0	113.2	R151 Q152 M153 R159	R151-S155 WeakPolarHBondContact O-CB 3.11Å; R151-S155 PolarHBondContact O-N 2.97Å; R151-S155 PolarHBondContact O-OG 3.37Å; Q152-S155 WeakPolarHBondContact CA-OG 3.4Å; Q152-S155 PolarHBondContact O-N 3.45Å; Q152-S155 VanDerWaalsContact O-N 3.08Å; Q152-S155 PolarHBondContact O-OG 2.91Å; M153-S155 VanDerWaalsContact C-N 3.27Å; M153-S155 PolarHBondContact O-N 3.2Å; S155-R159 WeakPolarHBondContact O-CB 3.32Å; S155-R159 PolarHBondContact O-N 2.86Å; S155-R159 VanDerWaalsContact O-N 3.15Å
156	R	89.4	Confident	84.4	Confident	62 Å²	62	66.1 Å²	66.1	23%	0.234	32%	0.323	C	S	.	.	H	α-helix	trans	-67.4	-49	172.8	-72.5	-177.9	167.7	175.6	-0.3	111	Q152 M153 E158 R159 R160 E199 D200	Q152-R156 PolarHBondContact O-N 2.77Å; M153-R156 WeakPolarHBondContact O-CB 2.89Å; M153-R156 PolarHBondContact O-N 2.84Å; M153-R156 VanDerWaalsContact O-N 3.13Å; R156-E158 VanDerWaalsContact C-N 3.32Å; R156-E158 PolarHBondContact O-N 2.97Å; R156-R159 WeakPolarHBondContact O-CB 3.29Å; R156-R159 PolarHBondContact O-N 2.74Å; R156-R159 VanDerWaalsContact O-N 3.12Å; R156-R160 PolarHBondContact O-N 2.94Å; R156-E199 IonicContact CZ-OE2 2.99Å; R156-E199 IonicContact NE-OE2 2.72Å; R156-E199 PolarHBondContact NE-OE2 3.27Å; R156-E199 PolarHBondContact NH2-O 2.76Å; R156-E199 IonicContact NH2-OE2 2.7Å; R156-D200 IonicContact CZ-OD1 3.73Å; R156-D200 VanDerWaalsContact CZ-OD1 3.22Å; R156-D200 IonicContact NH1-OD1 3.07Å; R156-D200 PolarHBondContact NH1-OD1 3.31Å; R156-D200 IonicContact NH1-OD2 3.86Å; R156-D200 IonicContact NH2-OD1 3.76Å; R156-D200 PolarHBondContact NH2-OD1 3.4Å
157	D	91.3	Very high	86.2	Confident	21 Å²	21	68.1 Å²	68.1	11%	0.112	33%	0.334	C	S	.	.	H	α-helix	trans	-59	-42	175.3	-74.5	3.7	0	0	0	111.9	W127 Y130 Y135 M153 R159 R160 F161 F180	W127-D157 HydrophobicContact CH2-CB 3.78Å; W127-D157 HydrophobicContact CZ3-CB 3.99Å; Y130-D157 HydrophobicContact CE1-CB 4.29Å; Y135-D157 PolarHBondContact OH-OD2 2.9Å; M153-D157 PolarHBondContact O-N 3.15Å; D157-R159 VanDerWaalsContact C-N 3.29Å; D157-R159 PolarHBondContact O-N 3.33Å; D157-R160 PolarHBondContact O-N 3.4Å; D157-F161 VanDerWaalsContact O-CB 3.25Å; D157-F161 WeakPolarHBondContact O-CB 3.21Å; D157-F161 PolarHBondContact O-N 2.81Å; D157-F180 HydrophobicContact CB-CE2 4.39Å; D157-F180 HydrophobicContact CB-CZ 4.33Å; D157-F180 WeakPolarHBondContact O-CE2 3.36Å
158	E	94.1	Very high	88	Confident	63 Å²	63	69 Å²	69	29%	0.294	33%	0.334	S	S	.	.	H	α-helix	trans	-62.5	-39.9	178.2	-168.7	177.9	162.9	0	0	111.4	W127 M154 R156 K162	W127-E158 HydrophobicContact CD2-CB 4.47Å; W127-E158 HydrophobicContact CD2-CG 4.16Å; W127-E158 VanDerWaalsContact CH2-CA 3.4Å; W127-E158 HydrophobicContact CH2-CB 3.63Å; W127-E158 HydrophobicContact CH2-CG 4.34Å; W127-E158 HydrophobicContact CZ2-CB 3.38Å; W127-E158 HydrophobicContact CZ2-CG 3.75Å; W127-E158 HydrophobicContact CZ3-CB 4.26Å; M154-E158 WeakPolarHBondContact O-CB 3.39Å; M154-E158 PolarHBondContact O-N 2.73Å; R156-E158 VanDerWaalsContact C-N 3.32Å; R156-E158 PolarHBondContact O-N 2.97Å; E158-K162 HydrophobicContact CG-CD 4.41Å; E158-K162 WeakPolarHBondContact O-CB 3.19Å; E158-K162 VanDerWaalsContact O-CG 3.28Å; E158-K162 WeakPolarHBondContact O-CG 3.33Å; E158-K162 PolarHBondContact O-N 3.47Å; E158-K162 VanDerWaalsContact OE1-CE 3.32Å; E158-K162 WeakPolarHBondContact OE1-CE 3.47Å; E158-K162 IonicContact OE1-NZ 3.28Å; E158-K162 PolarHBondContact OE1-NZ 3.06Å
159	R	94.8	Very high	89.7	Confident	74 Å²	74	66.7 Å²	66.7	28%	0.279	33%	0.328	S	S	.	.	H	α-helix	trans	-65.9	-45.2	176.7	178.5	-179.2	62.6	-156.2	4.6	110.8	S155 R156 D157 K162 M163 I192 E196 E199	S155-R159 WeakPolarHBondContact O-CB 3.32Å; S155-R159 PolarHBondContact O-N 2.86Å; S155-R159 VanDerWaalsContact O-N 3.15Å; R156-R159 WeakPolarHBondContact O-CB 3.29Å; R156-R159 PolarHBondContact O-N 2.74Å; R156-R159 VanDerWaalsContact O-N 3.12Å; D157-R159 VanDerWaalsContact C-N 3.29Å; D157-R159 PolarHBondContact O-N 3.33Å; R159-K162 PolarHBondContact O-N 3.13Å; R159-M163 PolarHBondContact O-N 2.71Å; R159-M163 VanDerWaalsContact O-N 3.08Å; R159-I192 HydrophobicContact CG-CD1 3.87Å; R159-E196 IonicContact NH2-OE1 3.22Å; R159-E199 IonicContact CZ-OE1 3.75Å; R159-E199 IonicContact CZ-OE2 3.71Å; R159-E199 IonicContact NH1-OE1 2.91Å; R159-E199 PolarHBondContact NH1-OE1 2.9Å; R159-E199 IonicContact NH1-OE2 3.79Å; R159-E199 IonicContact NH2-OE1 3.65Å; R159-E199 PolarHBondContact NH2-OE1 3.04Å; R159-E199 IonicContact NH2-OE2 3.98Å; R159-E199 PolarHBondContact NH2-OE2 3.42Å
160	R	94.1	Very high	90.8	Very high	59 Å²	59	69 Å²	69	22%	0.223	34%	0.338	C	S	.	.	H	α-helix	trans	-62.7	-44.3	176.4	-168.7	-169	-64	179.5	-2.9	111.3	R156 D157 K162 M163 A164 F180 M189 I192 E196	R156-R160 PolarHBondContact O-N 2.94Å; D157-R160 PolarHBondContact O-N 3.4Å; R160-K162 VanDerWaalsContact C-N 3.35Å; R160-K162 PolarHBondContact O-N 2.86Å; R160-M163 WeakPolarHBondContact O-CB 3.38Å; R160-M163 PolarHBondContact O-N 3.34Å; R160-A164 PolarHBondContact O-N 3.15Å; R160-F180 HydrophobicContact CB-CD2 4.05Å; R160-F180 HydrophobicContact CB-CE2 4.02Å; R160-F180 WeakPolarHBondContact CD-O 3.42Å; R160-F180 HydrophobicContact CG-CD2 3.85Å; R160-F180 HydrophobicContact CG-CE2 4.19Å; R160-M189 HydrophobicContact CG-CE 3.74Å; R160-I192 HydrophobicContact CB-CG1 4.18Å; R160-I192 HydrophobicContact CG-CG1 4.18Å; R160-I192 HydrophobicContact CG-CG2 4.24Å; R160-E196 IonicContact CZ-OE2 2.65Å; R160-E196 VanDerWaalsContact CZ-OE2 3.23Å; R160-E196 IonicContact NE-OE1 3.95Å; R160-E196 PolarHBondContact NE-OE1 3.35Å; R160-E196 IonicContact NE-OE2 3.29Å; R160-E196 PolarHBondContact NE-OE2 3.06Å; R160-E196 IonicContact NH2-OE1 2.94Å; R160-E196 IonicContact NH2-OE2 2.78Å; R160-E196 PolarHBondContact NH2-OE2 2.9Å
161	F	95.4	Very high	91.9	Very high	2 Å²	2	69.1 Å²	69.1	1%	0.009	34%	0.34	C	S	.	.	H	α-helix	trans	-59.3	-45.9	177.4	-168.9	-79.4	0	0	0	111.2	V125 W127 D157 M163 A164 D165 A172 F180	V125-F161 WeakPolarHBondContact O-CZ 3.41Å; W127-F161 HydrophobicContact CB-CD1 4.19Å; W127-F161 HydrophobicContact CB-CE1 4.05Å; W127-F161 HydrophobicContact CB-CZ 4.37Å; W127-F161 HydrophobicContact CE3-CB 3.83Å; W127-F161 HydrophobicContact CE3-CD1 4.35Å; W127-F161 AromaticContact CE3-CD2 3.94Å; W127-F161 HydrophobicContact CE3-CD2 3.94Å; W127-F161 AromaticContact CE3-CG 3.77Å; W127-F161 HydrophobicContact CE3-CG 3.77Å; W127-F161 HydrophobicContact CZ3-CB 4.09Å; W127-F161 HydrophobicContact CZ3-CG 4.44Å; D157-F161 VanDerWaalsContact O-CB 3.25Å; D157-F161 WeakPolarHBondContact O-CB 3.21Å; D157-F161 PolarHBondContact O-N 2.81Å; F161-M163 VanDerWaalsContact C-N 3.26Å; F161-M163 PolarHBondContact O-N 3.29Å; F161-A164 PolarHBondContact O-N 3.32Å; F161-D165 VanDerWaalsContact O-CB 3.29Å; F161-D165 WeakPolarHBondContact O-CB 3.5Å; F161-D165 PolarHBondContact O-N 3.35Å; F161-A172 HydrophobicContact CE1-CB 4.44Å; F161-A172 HydrophobicContact CE2-CB 3.88Å; F161-A172 HydrophobicContact CZ-CB 3.64Å; F161-F180 HydrophobicContact CB-CD2 3.92Å; F161-F180 HydrophobicContact CB-CE2 3.94Å; F161-F180 HydrophobicContact CD2-CD1 4.34Å; F161-F180 HydrophobicContact CD2-CD2 4.2Å; F161-F180 HydrophobicContact CD2-CE1 4.49Å; F161-F180 HydrophobicContact CD2-CE2 4.35Å; F161-F180 HydrophobicContact CD2-CG 4.2Å; F161-F180 HydrophobicContact CD2-CZ 4.5Å
162	K	95.9	Very high	92.7	Very high	103 Å²	103	61.3 Å²	61.3	45%	0.448	31%	0.311	S	S	.	.	H	α-helix	trans	-64.6	-27.4	175.4	-75	171.4	-175.3	165.1	0	114	E158 R159 R160 L170	E158-K162 HydrophobicContact CG-CD 4.41Å; E158-K162 WeakPolarHBondContact O-CB 3.19Å; E158-K162 VanDerWaalsContact O-CG 3.28Å; E158-K162 WeakPolarHBondContact O-CG 3.33Å; E158-K162 PolarHBondContact O-N 3.47Å; E158-K162 VanDerWaalsContact OE1-CE 3.32Å; E158-K162 WeakPolarHBondContact OE1-CE 3.47Å; E158-K162 IonicContact OE1-NZ 3.28Å; E158-K162 PolarHBondContact OE1-NZ 3.06Å; R159-K162 PolarHBondContact O-N 3.13Å; R160-K162 VanDerWaalsContact C-N 3.35Å; R160-K162 PolarHBondContact O-N 2.86Å; K162-L170 HydrophobicContact CG-CD2 3.87Å
163	M	95.1	Very high	93.4	Very high	79 Å²	79	58 Å²	58	39%	0.389	30%	0.296	S	S	.	.	H	α-helix	trans	-75.9	-35.9	176.1	-168.3	73.8	177	0	0	111.1	R159 R160 F161 H188 M189 I192	R159-M163 PolarHBondContact O-N 2.71Å; R159-M163 VanDerWaalsContact O-N 3.08Å; R160-M163 WeakPolarHBondContact O-CB 3.38Å; R160-M163 PolarHBondContact O-N 3.34Å; F161-M163 VanDerWaalsContact C-N 3.26Å; F161-M163 PolarHBondContact O-N 3.29Å; M163-H188 WeakPolarHBondContact CE-O 3.42Å; M163-M189 VanDerWaalsContact C-SD 3.57Å; M163-M189 HydrophobicContact CB-CE 4.12Å; M163-M189 HydrophobicContact CB-SD 3.82Å; M163-M189 HydrophobicContact CG-CE 4.34Å; M163-M189 HydrophobicContact CG-SD 3.54Å; M163-M189 VanDerWaalsContact CG-SD 3.54Å; M163-I192 HydrophobicContact CG-CB 4.47Å; M163-I192 HydrophobicContact CG-CG2 4.49Å
164	A	95.3	Very high	93.9	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-74.6	-33	176.9	0	0	0	0	0	112.7	R160 F161 L166 E176 A179 F180 M189	R160-A164 PolarHBondContact O-N 3.15Å; F161-A164 PolarHBondContact O-N 3.32Å; A164-L166 PolarHBondContact O-N 3.41Å; A164-L166 VanDerWaalsContact O-N 3.15Å; A164-E176 WeakPolarHBondContact CB-O 3.47Å; A164-E176 WeakPolarHBondContact O-CG 3.22Å; A164-A179 HydrophobicContact CB-CB 4.23Å; A164-F180 HydrophobicContact CB-CB 3.84Å; A164-M189 HydrophobicContact CB-CE 3.82Å; A164-M189 HydrophobicContact CB-SD 4.04Å
165	D	95.7	Very high	94.2	Very high	9 Å²	9	62.1 Å²	62.1	5%	0.048	31%	0.314	C	S	.	.			trans	-70.8	97.6	176.8	176.5	8.8	0	0	0	111.2	F161 D167 A168 D169 L170	F161-D165 VanDerWaalsContact O-CB 3.29Å; F161-D165 WeakPolarHBondContact O-CB 3.5Å; F161-D165 PolarHBondContact O-N 3.35Å; D165-D167 PolarHBondContact OD1-N 3.04Å; D165-A168 VanDerWaalsContact CG-CA 3.49Å; D165-A168 VanDerWaalsContact OD1-CA 3.29Å; D165-A168 WeakPolarHBondContact OD1-CA 3.29Å; D165-A168 PolarHBondContact OD1-N 3.04Å; D165-A168 VanDerWaalsContact OD2-CA 3.26Å; D165-A168 WeakPolarHBondContact OD2-CA 3.49Å; D165-D169 PolarHBondContact OD1-N 2.91Å; D165-D169 PolarHBondContact OD2-N 3.11Å; D165-L170 VanDerWaalsContact OD2-CA 3.22Å; D165-L170 WeakPolarHBondContact OD2-CA 3.38Å; D165-L170 PolarHBondContact OD2-N 3.35Å
166	L	95.3	Very high	94.5	Very high	127 Å²	127	59.7 Å²	59.7	67%	0.665	30%	0.295	S	S	*	.	S	Bend	trans	-80.2	-27.3	-172.8	-66.4	178.3	0	0	0	112.6	A164 E176	A164-L166 PolarHBondContact O-N 3.41Å; A164-L166 VanDerWaalsContact O-N 3.15Å; L166-E176 PolarHBondContact N-OE1 3.31Å
167	D	95.3	Very high	94.8	Very high	102 Å²	102	56.7 Å²	56.7	55%	0.545	28%	0.284	S	S	.	.	S	Bend	trans	-94.9	-6.4	178.9	77.6	11.5	0	0	0	113.9	D165 D169	D165-D167 PolarHBondContact OD1-N 3.04Å; D167-D169 VanDerWaalsContact C-N 3.3Å; D167-D169 PolarHBondContact O-N 3.43Å; D167-D169 WeakPolarHBondContact OD1-CB 3.26Å; D167-D169 VanDerWaalsContact OD1-CG 3.23Å; D167-D169 PolarHBondContact OD1-N 3.46Å; D167-D169 VanDerWaalsContact OD1-N 3.17Å
168	A	95.3	Very high	94.8	Very high	80 Å²	80	55.8 Å²	55.8	66%	0.661	28%	0.279	S	S	*	.			trans	62	31.8	173.8	0	0	0	0	0	113.5	D165	D165-A168 VanDerWaalsContact CG-CA 3.49Å; D165-A168 VanDerWaalsContact OD1-CA 3.29Å; D165-A168 WeakPolarHBondContact OD1-CA 3.29Å; D165-A168 PolarHBondContact OD1-N 3.04Å; D165-A168 VanDerWaalsContact OD2-CA 3.26Å; D165-A168 WeakPolarHBondContact OD2-CA 3.49Å
169	D	95.3	Very high	94.7	Very high	73 Å²	73	52.8 Å²	52.8	39%	0.39	27%	0.265	S	S	.	.	S	Bend	trans	-90.7	-1.3	177.9	88.4	-14	0	0	0	113.9	D165 D167 K171	D165-D169 PolarHBondContact OD1-N 2.91Å; D165-D169 PolarHBondContact OD2-N 3.11Å; D167-D169 VanDerWaalsContact C-N 3.3Å; D167-D169 PolarHBondContact O-N 3.43Å; D167-D169 WeakPolarHBondContact OD1-CB 3.26Å; D167-D169 VanDerWaalsContact OD1-CG 3.23Å; D167-D169 PolarHBondContact OD1-N 3.46Å; D167-D169 VanDerWaalsContact OD1-N 3.17Å; D169-K171 VanDerWaalsContact C-N 3.26Å; D169-K171 VanDerWaalsContact OD1-CA 3.27Å; D169-K171 WeakPolarHBondContact OD1-CA 3.46Å; D169-K171 WeakPolarHBondContact OD1-CB 2.96Å; D169-K171 PolarHBondContact OD1-N 3.01Å; D169-K171 VanDerWaalsContact OD1-O 3.08Å
170	L	95.1	Very high	94.7	Very high	75 Å²	75	49.3 Å²	49.3	39%	0.393	25%	0.252	S	S	.	.	S	Bend	trans	61	28.9	-174	-62.2	174.6	0	0	0	113.9	S126 W127 K162 D165	S126-L170 WeakPolarHBondContact CA-O 3.36Å; W127-L170 PolarHBondContact N-O 3.4Å; K162-L170 HydrophobicContact CG-CD2 3.87Å; D165-L170 VanDerWaalsContact OD2-CA 3.22Å; D165-L170 WeakPolarHBondContact OD2-CA 3.38Å; D165-L170 PolarHBondContact OD2-N 3.35Å
171	K	95.8	Very high	94.4	Very high	76 Å²	76	48.3 Å²	48.3	33%	0.33	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	106.4	175.5	-50.8	-179.5	175.3	-164.2	0	110.4	L124 V125 D169 N173	L124-K171 HydrophobicContact CB-CB 4.2Å; L124-K171 HydrophobicContact CD1-CB 4.16Å; L124-K171 HydrophobicContact CD1-CD 3.99Å; V125-K171 CarbonylContact O-C 3.59Å; V125-K171 WeakPolarHBondContact O-CA 3.41Å; D169-K171 VanDerWaalsContact C-N 3.26Å; D169-K171 VanDerWaalsContact OD1-CA 3.27Å; D169-K171 WeakPolarHBondContact OD1-CA 3.46Å; D169-K171 WeakPolarHBondContact OD1-CB 2.96Å; D169-K171 PolarHBondContact OD1-N 3.01Å; D169-K171 VanDerWaalsContact OD1-O 3.08Å; K171-N173 PolarHBondContact O-N 3.36Å
172	A	96	Very high	94	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	125.9	178.7	0	0	0	0	0	110.4	W114 V125 F161 E176 F177	W114-A172 WeakPolarHBondContact CH2-O 3.35Å; V125-A172 PolarHBondContact N-O 3.03Å; V125-A172 PolarHBondContact O-N 3.25Å; F161-A172 HydrophobicContact CE1-CB 4.44Å; F161-A172 HydrophobicContact CE2-CB 3.88Å; F161-A172 HydrophobicContact CZ-CB 3.64Å; A172-E176 HydrophobicContact CB-CB 3.94Å; A172-F177 HydrophobicContact CB-CB 3.96Å; A172-F177 HydrophobicContact CB-CD2 4.36Å
173	N	95.1	Very high	93.5	Very high	49 Å²	49	44.2 Å²	44.2	26%	0.262	23%	0.234	S	C	.	.			trans	-71.5	179.2	158.7	68	52.7	0	0	0	110.6	W114 L124 K171 E175 E176 F177	W114-N173 VanDerWaalsContact CH2-C 3.5Å; L124-N173 HydrophobicContact CD2-CB 3.93Å; K171-N173 PolarHBondContact O-N 3.36Å; N173-E175 VanDerWaalsContact C-N 3.35Å; N173-E175 PolarHBondContact O-N 3.4Å; N173-E175 WeakPolarHBondContact OD1-CB 3.48Å; N173-E175 PolarHBondContact OD1-N 3.14Å; N173-E175 PolarHBondContact OD1-OE2 2.77Å; N173-E176 PolarHBondContact N-OE2 3.23Å; N173-E176 PolarHBondContact ND2-OE2 2.96Å; N173-E176 PolarHBondContact O-N 2.7Å; N173-E176 WeakPolarHBondContact OD1-CG 3.27Å; N173-E176 PolarHBondContact OD1-N 2.86Å; N173-F177 WeakPolarHBondContact O-CB 3.03Å; N173-F177 PolarHBondContact O-N 3.33Å
174	K	92.2	Very high	92.9	Very high	68 Å²	68	44 Å²	44	30%	0.296	23%	0.232	S	C	.	.	H	α-helix	trans	-62.4	-42.7	-173.6	-163.2	169	-176.1	-175	0	112.3	V110 D111 W114 F177 T178	V110-K174 HydrophobicContact CG1-CG 4.17Å; D111-K174 VanDerWaalsContact OD1-CE 3.23Å; D111-K174 WeakPolarHBondContact OD1-CE 3.4Å; D111-K174 IonicContact OD1-NZ 2.78Å; D111-K174 PolarHBondContact OD1-NZ 3.34Å; D111-K174 IonicContact OD2-NZ 2.73Å; D111-K174 PolarHBondContact OD2-NZ 2.62Å; W114-K174 HydrophobicContact CE3-CB 4.46Å; W114-K174 HydrophobicContact CE3-CG 4.2Å; W114-K174 HydrophobicContact CH2-CB 4.22Å; W114-K174 HydrophobicContact CZ3-CB 4.06Å; W114-K174 HydrophobicContact CZ3-CG 4.28Å; K174-F177 PolarHBondContact O-N 2.97Å; K174-T178 PolarHBondContact O-N 2.81Å; K174-T178 PolarHBondContact O-OG1 2.83Å
175	E	93.3	Very high	92.3	Very high	118 Å²	118	47.4 Å²	47.4	55%	0.551	25%	0.248	S	C	*	.	H	α-helix	trans	-65.7	-41.3	177.5	-69.3	76.7	-173.9	0	0	112.5	N173 T178 A179	N173-E175 VanDerWaalsContact C-N 3.35Å; N173-E175 PolarHBondContact O-N 3.4Å; N173-E175 WeakPolarHBondContact OD1-CB 3.48Å; N173-E175 PolarHBondContact OD1-N 3.14Å; N173-E175 PolarHBondContact OD1-OE2 2.77Å; E175-T178 PolarHBondContact O-N 2.84Å; E175-A179 PolarHBondContact O-N 3.27Å
176	E	95.7	Very high	91.8	Very high	11 Å²	11	49.4 Å²	49.4	5%	0.051	26%	0.255	C	S	.	.	H	α-helix	trans	-68.3	-38.2	176.7	-65.9	170.4	151.6	0	0	111.3	A164 L166 A172 N173 A179 F180	A164-E176 WeakPolarHBondContact CB-O 3.47Å; A164-E176 WeakPolarHBondContact O-CG 3.22Å; L166-E176 PolarHBondContact N-OE1 3.31Å; A172-E176 HydrophobicContact CB-CB 3.94Å; N173-E176 PolarHBondContact N-OE2 3.23Å; N173-E176 PolarHBondContact ND2-OE2 2.96Å; N173-E176 PolarHBondContact O-N 2.7Å; N173-E176 WeakPolarHBondContact OD1-CG 3.27Å; N173-E176 PolarHBondContact OD1-N 2.86Å; E176-A179 WeakPolarHBondContact O-CB 3.48Å; E176-A179 PolarHBondContact O-N 3.06Å; E176-F180 WeakPolarHBondContact O-CB 3.2Å; E176-F180 PolarHBondContact O-N 3.09Å
177	F	94.6	Very high	91.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-69.9	-35.4	176.3	-167.3	-111.4	0	0	0	111.8	V110 Q113 W114 H117 V125 Y130 A172 N173 K174 A179 F180 L181	V110-F177 HydrophobicContact CG1-CD1 4.2Å; Q113-F177 HydrophobicContact CB-CE1 3.94Å; Q113-F177 HydrophobicContact CB-CZ 4.35Å; W114-F177 HydrophobicContact CE3-CB 3.99Å; W114-F177 AromaticContact CE3-CD1 3.58Å; W114-F177 HydrophobicContact CE3-CD1 3.58Å; W114-F177 HydrophobicContact CE3-CE1 4.3Å; W114-F177 AromaticContact CE3-CG 3.97Å; W114-F177 HydrophobicContact CE3-CG 3.97Å; W114-F177 HydrophobicContact CZ3-CB 3.51Å; W114-F177 HydrophobicContact CZ3-CD1 4.01Å; W114-F177 AromaticContact CZ3-CG 3.9Å; W114-F177 HydrophobicContact CZ3-CG 3.9Å; H117-F177 HydrophobicContact CB-CZ 4.43Å; V125-F177 HydrophobicContact CB-CD2 4.16Å; V125-F177 HydrophobicContact CB-CE2 4.3Å; V125-F177 HydrophobicContact CG1-CD2 4.15Å; V125-F177 HydrophobicContact CG1-CE2 3.86Å; V125-F177 HydrophobicContact CG2-CD2 4.45Å; V125-F177 HydrophobicContact CG2-CE2 4.48Å; Y130-F177 HydrophobicContact CD2-CE2 4.07Å; Y130-F177 HydrophobicContact CD2-CZ 4.47Å; Y130-F177 HydrophobicContact CE2-CE2 4.49Å; A172-F177 HydrophobicContact CB-CB 3.96Å; A172-F177 HydrophobicContact CB-CD2 4.36Å; N173-F177 WeakPolarHBondContact O-CB 3.03Å; N173-F177 PolarHBondContact O-N 3.33Å; K174-F177 PolarHBondContact O-N 2.97Å; F177-A179 VanDerWaalsContact C-N 3.34Å; F177-F180 HydrophobicContact CD2-CD1 4.02Å; F177-F180 AromaticContact CE2-CD1 3.96Å; F177-F180 HydrophobicContact CE2-CD1 3.96Å; F177-F180 HydrophobicContact CE2-CE1 4.3Å; F177-F180 PolarHBondContact O-N 3.34Å; F177-L181 HydrophobicContact CD1-CD1 3.86Å; F177-L181 HydrophobicContact CD1-CG 4.35Å; F177-L181 HydrophobicContact CE1-CD1 3.43Å; F177-L181 VanDerWaalsContact CE1-CD1 3.43Å; F177-L181 HydrophobicContact CE1-CG 4.1Å; F177-L181 HydrophobicContact CZ-CD1 3.92Å; F177-L181 HydrophobicContact CZ-CD2 4.36Å; F177-L181 HydrophobicContact CZ-CG 4.23Å; F177-L181 WeakPolarHBondContact O-CG 3.44Å; F177-L181 PolarHBondContact O-N 3.38Å
178	T	92.4	Very high	91.3	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-59.6	-45	168.1	-56.4	0	0	0	0	110.8	I106 V110 K174 E175 F180 L181 H182 Y186	I106-T178 HydrophobicContact CG2-CG2 3.53Å; V110-T178 HydrophobicContact CG2-CG2 3.92Å; K174-T178 PolarHBondContact O-N 2.81Å; K174-T178 PolarHBondContact O-OG1 2.83Å; E175-T178 PolarHBondContact O-N 2.84Å; T178-F180 VanDerWaalsContact C-N 3.27Å; T178-F180 PolarHBondContact O-N 2.85Å; T178-L181 PolarHBondContact O-N 3.16Å; T178-H182 PolarHBondContact O-N 2.86Å; T178-Y186 WeakPolarHBondContact CB-OH 3.36Å; T178-Y186 HydrophobicContact CG2-CE2 3.82Å; T178-Y186 VanDerWaalsContact CG2-OH 3.22Å; T178-Y186 WeakPolarHBondContact CG2-OH 2.98Å
179	A	92.3	Very high	91	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-65.5	-29.8	177.5	0	0	0	0	0	113.2	A164 E175 E176 F177 P183 Y186 M189	A164-A179 HydrophobicContact CB-CB 4.23Å; E175-A179 PolarHBondContact O-N 3.27Å; E176-A179 WeakPolarHBondContact O-CB 3.48Å; E176-A179 PolarHBondContact O-N 3.06Å; F177-A179 VanDerWaalsContact C-N 3.34Å; A179-P183 WeakPolarHBondContact O-CA 3.37Å; A179-Y186 VanDerWaalsContact CA-CD2 3.49Å; A179-Y186 HydrophobicContact CB-CD1 3.85Å; A179-Y186 HydrophobicContact CB-CD2 3.67Å; A179-Y186 HydrophobicContact CB-CE1 4Å; A179-Y186 HydrophobicContact CB-CE2 3.87Å; A179-Y186 HydrophobicContact CB-CG 3.66Å; A179-M189 HydrophobicContact CB-CG 4.09Å; A179-M189 WeakPolarHBondContact O-CE 3.24Å
180	F	93.6	Very high	90.6	Very high	1 Å²	1	42.7 Å²	42.7	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-71.8	-42.2	174	168.3	-107.7	0	0	0	112.9	Y130 D157 R160 F161 A164 E176 F177 T178	Y130-F180 HydrophobicContact CD1-CE1 4.47Å; Y130-F180 HydrophobicContact CD1-CZ 4.28Å; Y130-F180 HydrophobicContact CD2-CE1 4.02Å; Y130-F180 HydrophobicContact CE1-CE1 4.02Å; Y130-F180 AromaticContact CE1-CZ 3.68Å; Y130-F180 HydrophobicContact CE1-CZ 3.68Å; Y130-F180 AromaticContact CE2-CE1 3.52Å; Y130-F180 HydrophobicContact CE2-CE1 3.52Å; Y130-F180 HydrophobicContact CE2-CZ 4.06Å; Y130-F180 HydrophobicContact CG-CE1 4.46Å; Y130-F180 AromaticContact CZ-CE1 3.5Å; Y130-F180 AromaticContact CZ-CZ 3.54Å; D157-F180 HydrophobicContact CB-CE2 4.39Å; D157-F180 HydrophobicContact CB-CZ 4.33Å; D157-F180 WeakPolarHBondContact O-CE2 3.36Å; R160-F180 HydrophobicContact CB-CD2 4.05Å; R160-F180 HydrophobicContact CB-CE2 4.02Å; R160-F180 WeakPolarHBondContact CD-O 3.42Å; R160-F180 HydrophobicContact CG-CD2 3.85Å; R160-F180 HydrophobicContact CG-CE2 4.19Å; F161-F180 HydrophobicContact CB-CD2 3.92Å; F161-F180 HydrophobicContact CB-CE2 3.94Å; F161-F180 HydrophobicContact CD2-CD1 4.34Å; F161-F180 HydrophobicContact CD2-CD2 4.2Å; F161-F180 HydrophobicContact CD2-CE1 4.49Å; F161-F180 HydrophobicContact CD2-CE2 4.35Å; F161-F180 HydrophobicContact CD2-CG 4.2Å; F161-F180 HydrophobicContact CD2-CZ 4.5Å; A164-F180 HydrophobicContact CB-CB 3.84Å; E176-F180 WeakPolarHBondContact O-CB 3.2Å; E176-F180 PolarHBondContact O-N 3.09Å; F177-F180 HydrophobicContact CD2-CD1 4.02Å; F177-F180 AromaticContact CE2-CD1 3.96Å; F177-F180 HydrophobicContact CE2-CD1 3.96Å; F177-F180 HydrophobicContact CE2-CE1 4.3Å; F177-F180 PolarHBondContact O-N 3.34Å; T178-F180 VanDerWaalsContact C-N 3.27Å; T178-F180 PolarHBondContact O-N 2.85Å
181	L	88.5	Confident	90.3	Very high	38 Å²	38	42.4 Å²	42.4	20%	0.199	20%	0.203	C	C	.	.	H	α-helix	trans	-78.1	-37.1	179.7	-68.1	-177.9	0	0	0	113	V110 Q113 F177 T178 P183	V110-L181 HydrophobicContact CG2-CD1 4.08Å; Q113-L181 HydrophobicContact CB-CD1 3.84Å; Q113-L181 HydrophobicContact CG-CD1 3.94Å; F177-L181 HydrophobicContact CD1-CD1 3.86Å; F177-L181 HydrophobicContact CD1-CG 4.35Å; F177-L181 HydrophobicContact CE1-CD1 3.43Å; F177-L181 VanDerWaalsContact CE1-CD1 3.43Å; F177-L181 HydrophobicContact CE1-CG 4.1Å; F177-L181 HydrophobicContact CZ-CD1 3.92Å; F177-L181 HydrophobicContact CZ-CD2 4.36Å; F177-L181 HydrophobicContact CZ-CG 4.23Å; F177-L181 WeakPolarHBondContact O-CG 3.44Å; F177-L181 PolarHBondContact O-N 3.38Å; T178-L181 PolarHBondContact O-N 3.16Å; L181-P183 WeakPolarHBondContact O-CD 3.35Å
182	H	86.1	Confident	90	Very high	11 Å²	11	39.2 Å²	39.2	5%	0.051	19%	0.19	C	C	.	.			trans	-123.7	63.5	-177.8	-61.1	-76.6	0	0	0	111.1	W105 I106 D109 T178 E184 E185 Y186	W105-H182 AromaticContact CH2-CE1 3.72Å; W105-H182 AromaticContact CZ3-CE1 3.38Å; W105-H182 WeakPolarHBondContact CZ3-CE1 3.49Å; W105-H182 AromaticContact CZ3-ND1 3.91Å; I106-H182 HydrophobicContact CD1-CB 4.26Å; I106-H182 HydrophobicContact CG2-CB 4.25Å; D109-H182 IonicContact OD2-NE2 2.94Å; T178-H182 PolarHBondContact O-N 2.86Å; H182-E184 WeakPolarHBondContact CA-OE1 3.16Å; H182-E184 WeakPolarHBondContact CA-OE2 3.1Å; H182-E184 WeakPolarHBondContact CB-OE1 3.43Å; H182-E184 IonicContact CG-OE1 3.06Å; H182-E184 IonicContact ND1-OE1 2.82Å; H182-E184 PolarHBondContact ND1-OE1 3.24Å; H182-E184 PolarHBondContact O-N 2.84Å; H182-E185 HydrophobicContact CB-CG 4.35Å; H182-E185 PolarHBondContact O-N 2.99Å; H182-Y186 WeakPolarHBondContact O-CD2 3.49Å
183	P	86.1	Confident	89.4	Confident	7 Å²	7	40.5 Å²	40.5	5%	0.045	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-61.8	-23.8	-176.4	28	-37.3	0	0	0	113.8	A179 L181 E185 Y186 M189 I192 V193	A179-P183 WeakPolarHBondContact O-CA 3.37Å; L181-P183 WeakPolarHBondContact O-CD 3.35Å; P183-E185 PolarHBondContact O-N 3.19Å; P183-Y186 PolarHBondContact O-N 3.02Å; P183-M189 HydrophobicContact CB-CB 3.69Å; P183-M189 HydrophobicContact CB-CE 4.04Å; P183-M189 HydrophobicContact CB-CG 4.37Å; P183-M189 WeakPolarHBondContact O-CB 3.39Å; P183-I192 HydrophobicContact CB-CG2 4.23Å; P183-V193 HydrophobicContact CB-CG2 3.67Å; P183-V193 HydrophobicContact CG-CG2 3.77Å
184	E	82.5	Confident	88.9	Confident	76 Å²	76	38.2 Å²	38.2	36%	0.355	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-60.2	-30.3	176	66.6	-75.7	177.5	0	0	113.5	H182 Y186	H182-E184 WeakPolarHBondContact CA-OE1 3.16Å; H182-E184 WeakPolarHBondContact CA-OE2 3.1Å; H182-E184 WeakPolarHBondContact CB-OE1 3.43Å; H182-E184 IonicContact CG-OE1 3.06Å; H182-E184 IonicContact ND1-OE1 2.82Å; H182-E184 PolarHBondContact ND1-OE1 3.24Å; H182-E184 PolarHBondContact O-N 2.84Å; E184-Y186 VanDerWaalsContact C-N 3.31Å; E184-Y186 PolarHBondContact O-N 3.34Å
185	E	82.6	Confident	88.7	Confident	72 Å²	72	37.6 Å²	37.6	34%	0.336	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-80.4	-11.9	-178	-68.9	-57.7	118.8	0	0	113.8	Q102 I106 H182 P183	Q102-E185 PolarHBondContact NE2-OE1 3.04Å; I106-E185 HydrophobicContact CD1-CG 3.3Å; H182-E185 HydrophobicContact CB-CG 4.35Å; H182-E185 PolarHBondContact O-N 2.99Å; P183-E185 PolarHBondContact O-N 3.19Å
186	Y	85.8	Confident	88.3	Confident	51 Å²	51	32.6 Å²	32.6	20%	0.2	16%	0.161	C	C	.	.			trans	-116.5	119.2	-172.1	-69.8	-98.5	0	0	0	111	T178 A179 H182 P183 E184 H188 M189 K190	T178-Y186 WeakPolarHBondContact CB-OH 3.36Å; T178-Y186 HydrophobicContact CG2-CE2 3.82Å; T178-Y186 VanDerWaalsContact CG2-OH 3.22Å; T178-Y186 WeakPolarHBondContact CG2-OH 2.98Å; A179-Y186 VanDerWaalsContact CA-CD2 3.49Å; A179-Y186 HydrophobicContact CB-CD1 3.85Å; A179-Y186 HydrophobicContact CB-CD2 3.67Å; A179-Y186 HydrophobicContact CB-CE1 4Å; A179-Y186 HydrophobicContact CB-CE2 3.87Å; A179-Y186 HydrophobicContact CB-CG 3.66Å; H182-Y186 WeakPolarHBondContact O-CD2 3.49Å; P183-Y186 PolarHBondContact O-N 3.02Å; E184-Y186 VanDerWaalsContact C-N 3.31Å; E184-Y186 PolarHBondContact O-N 3.34Å; Y186-H188 AromaticContact CD1-CE1 3.64Å; Y186-H188 AromaticContact CG-CE1 3.96Å; Y186-H188 PolarHBondContact O-N 3.23Å; Y186-H188 VanDerWaalsContact O-N 3.1Å; Y186-M189 WeakPolarHBondContact O-CA 3.14Å; Y186-M189 WeakPolarHBondContact O-CB 3.33Å; Y186-M189 PolarHBondContact O-N 3.49Å; Y186-K190 PolarHBondContact O-N 2.98Å
187	D	87.8	Confident	87.6	Confident	123 Å²	123	34 Å²	34	66%	0.658	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-35.3	-177.7	-75.7	-33.3	0	0	0	113.7	M189 K190	D187-M189 VanDerWaalsContact C-N 3.27Å; D187-M189 PolarHBondContact O-N 2.92Å; D187-K190 WeakPolarHBondContact OD1-CE 3.47Å; D187-K190 IonicContact OD1-NZ 3.55Å; D187-K190 PolarHBondContact OD1-NZ 3.15Å
188	H	90.8	Very high	87	Confident	68 Å²	68	34.5 Å²	34.5	32%	0.315	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-18.7	178.4	69.4	-81.9	0	0	0	113.3	M163 Y186	M163-H188 WeakPolarHBondContact CE-O 3.42Å; Y186-H188 AromaticContact CD1-CE1 3.64Å; Y186-H188 AromaticContact CG-CE1 3.96Å; Y186-H188 PolarHBondContact O-N 3.23Å; Y186-H188 VanDerWaalsContact O-N 3.1Å
189	M	90.5	Very high	86.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-12.5	179.4	-65	-60.2	-76	0	0	112.7	R160 M163 A164 A179 P183 Y186 D187 D191 I192 V193	R160-M189 HydrophobicContact CG-CE 3.74Å; M163-M189 VanDerWaalsContact C-SD 3.57Å; M163-M189 HydrophobicContact CB-CE 4.12Å; M163-M189 HydrophobicContact CB-SD 3.82Å; M163-M189 HydrophobicContact CG-CE 4.34Å; M163-M189 HydrophobicContact CG-SD 3.54Å; M163-M189 VanDerWaalsContact CG-SD 3.54Å; A164-M189 HydrophobicContact CB-CE 3.82Å; A164-M189 HydrophobicContact CB-SD 4.04Å; A179-M189 HydrophobicContact CB-CG 4.09Å; A179-M189 WeakPolarHBondContact O-CE 3.24Å; P183-M189 HydrophobicContact CB-CB 3.69Å; P183-M189 HydrophobicContact CB-CE 4.04Å; P183-M189 HydrophobicContact CB-CG 4.37Å; P183-M189 WeakPolarHBondContact O-CB 3.39Å; Y186-M189 WeakPolarHBondContact O-CA 3.14Å; Y186-M189 WeakPolarHBondContact O-CB 3.33Å; Y186-M189 PolarHBondContact O-N 3.49Å; D187-M189 VanDerWaalsContact C-N 3.27Å; D187-M189 PolarHBondContact O-N 2.92Å; M189-D191 PolarHBondContact O-N 3.02Å; M189-I192 HydrophobicContact CB-CG2 4.1Å; M189-I192 HydrophobicContact CE-CG2 3.6Å; M189-I192 WeakPolarHBondContact O-CG2 3.35Å; M189-I192 PolarHBondContact O-N 2.87Å; M189-I192 HydrophobicContact SD-CG2 4.23Å; M189-V193 PolarHBondContact O-N 3.24Å
190	K	86.1	Confident	86.1	Confident	49 Å²	49	41.4 Å²	41.4	21%	0.213	21%	0.208	C	C	.	.	H	α-helix	trans	-52.3	-36.6	177.7	-71.5	-177.4	171.5	167.4	0	113.3	Y186 D187 I192 V193 V194 L260	Y186-K190 PolarHBondContact O-N 2.98Å; D187-K190 WeakPolarHBondContact OD1-CE 3.47Å; D187-K190 IonicContact OD1-NZ 3.55Å; D187-K190 PolarHBondContact OD1-NZ 3.15Å; K190-I192 VanDerWaalsContact C-N 3.3Å; K190-I192 PolarHBondContact O-N 3.23Å; K190-V193 PolarHBondContact O-N 3.38Å; K190-V194 VanDerWaalsContact O-CG2 3.3Å; K190-V194 WeakPolarHBondContact O-CG2 3.01Å; K190-V194 PolarHBondContact O-N 3.47Å; K190-L260 HydrophobicContact CB-CD1 3.65Å; K190-L260 HydrophobicContact CD-CD1 3.99Å; K190-L260 HydrophobicContact CG-CD1 3.64Å
191	D	89.1	Confident	85.5	Confident	70 Å²	70	41.7 Å²	41.7	37%	0.374	21%	0.209	S	C	.	.	H	α-helix	trans	-66.4	-29.6	178.8	-78.7	1.5	0	0	0	113.6	M189 L195 R256	M189-D191 PolarHBondContact O-N 3.02Å; D191-L195 WeakPolarHBondContact O-CB 3.38Å; D191-L195 PolarHBondContact O-N 3.16Å; D191-R256 IonicContact OD1-NE 2.71Å
192	I	88.2	Confident	85.4	Confident	9 Å²	9	40.9 Å²	40.9	5%	0.046	21%	0.205	C	C	.	.	H	α-helix	trans	-77.1	-38.2	175.8	-169.7	65.7	0	0	0	110.8	R159 R160 M163 P183 M189 K190 V194 L195 E196	R159-I192 HydrophobicContact CG-CD1 3.87Å; R160-I192 HydrophobicContact CB-CG1 4.18Å; R160-I192 HydrophobicContact CG-CG1 4.18Å; R160-I192 HydrophobicContact CG-CG2 4.24Å; M163-I192 HydrophobicContact CG-CB 4.47Å; M163-I192 HydrophobicContact CG-CG2 4.49Å; P183-I192 HydrophobicContact CB-CG2 4.23Å; M189-I192 HydrophobicContact CB-CG2 4.1Å; M189-I192 HydrophobicContact CE-CG2 3.6Å; M189-I192 WeakPolarHBondContact O-CG2 3.35Å; M189-I192 PolarHBondContact O-N 2.87Å; M189-I192 HydrophobicContact SD-CG2 4.23Å; K190-I192 VanDerWaalsContact C-N 3.3Å; K190-I192 PolarHBondContact O-N 3.23Å; I192-V194 PolarHBondContact O-N 2.92Å; I192-L195 HydrophobicContact CD1-CD2 4.23Å; I192-L195 PolarHBondContact O-N 2.67Å; I192-E196 HydrophobicContact CD1-CG 4.32Å; I192-E196 HydrophobicContact CG1-CG 4.32Å; I192-E196 WeakPolarHBondContact CG1-OE1 3.36Å; I192-E196 WeakPolarHBondContact O-CB 3.12Å; I192-E196 WeakPolarHBondContact O-CG 3.11Å; I192-E196 PolarHBondContact O-N 3.43Å
193	V	84.6	Confident	85.4	Confident	28 Å²	28	47.8 Å²	47.8	17%	0.17	24%	0.235	C	C	.	.	H	α-helix	trans	-57.8	-49.9	174.2	-177.7	0	0	0	0	110.1	P183 M189 K190 L195 E196 T197 I259	P183-V193 HydrophobicContact CB-CG2 3.67Å; P183-V193 HydrophobicContact CG-CG2 3.77Å; M189-V193 PolarHBondContact O-N 3.24Å; K190-V193 PolarHBondContact O-N 3.38Å; V193-L195 VanDerWaalsContact C-N 3.34Å; V193-L195 PolarHBondContact O-N 2.65Å; V193-E196 PolarHBondContact O-N 2.96Å; V193-T197 PolarHBondContact O-N 3.29Å; V193-T197 PolarHBondContact O-OG1 3.09Å; V193-I259 HydrophobicContact CG1-CD1 3.98Å
194	V	84.6	Confident	85.5	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.6	-47.4	177.3	178	0	0	0	0	111.5	K190 I192 E196 T197 M198 K252 T255 R256 I259 L260	K190-V194 VanDerWaalsContact O-CG2 3.3Å; K190-V194 WeakPolarHBondContact O-CG2 3.01Å; K190-V194 PolarHBondContact O-N 3.47Å; I192-V194 PolarHBondContact O-N 2.92Å; V194-E196 VanDerWaalsContact C-N 3.34Å; V194-E196 PolarHBondContact O-N 2.78Å; V194-T197 PolarHBondContact O-N 3Å; V194-M198 HydrophobicContact CG1-CG 4.48Å; V194-M198 HydrophobicContact CG1-SD 4.22Å; V194-M198 VanDerWaalsContact O-CG 3.29Å; V194-M198 WeakPolarHBondContact O-CG 3.47Å; V194-M198 PolarHBondContact O-N 2.97Å; V194-K252 HydrophobicContact CG1-CG 3.74Å; V194-T255 HydrophobicContact CG1-CG2 4.11Å; V194-R256 HydrophobicContact CG1-CB 4.26Å; V194-R256 HydrophobicContact CG2-CB 3.71Å; V194-R256 HydrophobicContact CG2-CG 3.85Å; V194-I259 HydrophobicContact CB-CD1 4.13Å; V194-I259 HydrophobicContact CG2-CD1 3.6Å; V194-I259 HydrophobicContact CG2-CG1 4.05Å; V194-L260 HydrophobicContact CG2-CD1 4.44Å
195	L	87.8	Confident	85.8	Confident	56 Å²	56	50.8 Å²	50.8	29%	0.293	27%	0.267	S	S	.	.	H	α-helix	trans	-62	-43.9	-178.3	179.2	64.3	0	0	0	111.7	D191 I192 V193 M198 E199	D191-L195 WeakPolarHBondContact O-CB 3.38Å; D191-L195 PolarHBondContact O-N 3.16Å; I192-L195 HydrophobicContact CD1-CD2 4.23Å; I192-L195 PolarHBondContact O-N 2.67Å; V193-L195 VanDerWaalsContact C-N 3.34Å; V193-L195 PolarHBondContact O-N 2.65Å; L195-M198 PolarHBondContact O-N 3.41Å; L195-E199 WeakPolarHBondContact O-CG 3.47Å; L195-E199 PolarHBondContact O-N 3.02Å
196	E	84.1	Confident	86.1	Confident	13 Å²	13	51 Å²	51	6%	0.061	27%	0.27	C	S	.	.	H	α-helix	trans	-69.2	-40.6	-178.6	-72.4	173.1	171.8	0	0	111.7	R159 R160 I192 V193 V194 M198 E199 D200	R159-E196 IonicContact NH2-OE1 3.22Å; R160-E196 IonicContact CZ-OE2 2.65Å; R160-E196 VanDerWaalsContact CZ-OE2 3.23Å; R160-E196 IonicContact NE-OE1 3.95Å; R160-E196 PolarHBondContact NE-OE1 3.35Å; R160-E196 IonicContact NE-OE2 3.29Å; R160-E196 PolarHBondContact NE-OE2 3.06Å; R160-E196 IonicContact NH2-OE1 2.94Å; R160-E196 IonicContact NH2-OE2 2.78Å; R160-E196 PolarHBondContact NH2-OE2 2.9Å; I192-E196 HydrophobicContact CD1-CG 4.32Å; I192-E196 HydrophobicContact CG1-CG 4.32Å; I192-E196 WeakPolarHBondContact CG1-OE1 3.36Å; I192-E196 WeakPolarHBondContact O-CB 3.12Å; I192-E196 WeakPolarHBondContact O-CG 3.11Å; I192-E196 PolarHBondContact O-N 3.43Å; V193-E196 PolarHBondContact O-N 2.96Å; V194-E196 VanDerWaalsContact C-N 3.34Å; V194-E196 PolarHBondContact O-N 2.78Å; E196-M198 VanDerWaalsContact C-N 3.32Å; E196-M198 PolarHBondContact O-N 3.2Å; E196-E199 PolarHBondContact O-N 3.26Å; E196-D200 PolarHBondContact O-N 2.9Å
197	T	82.1	Confident	86.3	Confident	39 Å²	39	50.5 Å²	50.5	24%	0.239	28%	0.281	C	S	.	.	H	α-helix	trans	-59.2	-43.3	171.3	-56.4	0	0	0	0	111.7	V193 V194 D200 I201 I259	V193-T197 PolarHBondContact O-N 3.29Å; V193-T197 PolarHBondContact O-OG1 3.09Å; V194-T197 PolarHBondContact O-N 3Å; T197-D200 PolarHBondContact O-N 3.07Å; T197-I201 HydrophobicContact CG2-CD1 3.78Å; T197-I201 WeakPolarHBondContact O-CG1 3.46Å; T197-I201 PolarHBondContact O-N 3.04Å; T197-I201 VanDerWaalsContact O-N 3.14Å; T197-I259 HydrophobicContact CG2-CG2 4.23Å
198	M	81.9	Confident	86.6	Confident	12 Å²	12	47.3 Å²	47.3	6%	0.059	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-47.1	174.9	-70	-178.8	80.4	0	0	111.6	V194 L195 E196 D200 I201 D202 G207 I209 K252 T255	V194-M198 HydrophobicContact CG1-CG 4.48Å; V194-M198 HydrophobicContact CG1-SD 4.22Å; V194-M198 VanDerWaalsContact O-CG 3.29Å; V194-M198 WeakPolarHBondContact O-CG 3.47Å; V194-M198 PolarHBondContact O-N 2.97Å; L195-M198 PolarHBondContact O-N 3.41Å; E196-M198 VanDerWaalsContact C-N 3.32Å; E196-M198 PolarHBondContact O-N 3.2Å; M198-D200 PolarHBondContact O-N 3.02Å; M198-I201 PolarHBondContact O-N 2.91Å; M198-D202 WeakPolarHBondContact O-CB 3.43Å; M198-D202 PolarHBondContact O-N 2.98Å; M198-G207 WeakPolarHBondContact CE-O 3.48Å; M198-I209 HydrophobicContact CG-CD1 4.09Å; M198-K252 HydrophobicContact CE-CB 4.48Å; M198-K252 HydrophobicContact SD-CB 3.89Å; M198-K252 HydrophobicContact SD-CG 4.05Å; M198-T255 HydrophobicContact CG-CG2 3.8Å
199	E	84.6	Confident	86.4	Confident	67 Å²	67	44.1 Å²	44.1	31%	0.313	25%	0.247	S	C	.	.	H	α-helix	trans	-64.6	-21.5	179.4	-68.9	176.9	171.3	0	0	113.5	R156 R159 L195 E196	R156-E199 IonicContact CZ-OE2 2.99Å; R156-E199 IonicContact NE-OE2 2.72Å; R156-E199 PolarHBondContact NE-OE2 3.27Å; R156-E199 PolarHBondContact NH2-O 2.76Å; R156-E199 IonicContact NH2-OE2 2.7Å; R159-E199 IonicContact CZ-OE1 3.75Å; R159-E199 IonicContact CZ-OE2 3.71Å; R159-E199 IonicContact NH1-OE1 2.91Å; R159-E199 PolarHBondContact NH1-OE1 2.9Å; R159-E199 IonicContact NH1-OE2 3.79Å; R159-E199 IonicContact NH2-OE1 3.65Å; R159-E199 PolarHBondContact NH2-OE1 3.04Å; R159-E199 IonicContact NH2-OE2 3.98Å; R159-E199 PolarHBondContact NH2-OE2 3.42Å; L195-E199 WeakPolarHBondContact O-CG 3.47Å; L195-E199 PolarHBondContact O-N 3.02Å; E196-E199 PolarHBondContact O-N 3.26Å
200	D	80.3	Confident	86.5	Confident	80 Å²	80	46.1 Å²	46.1	43%	0.428	26%	0.257	S	S	.	.	H	α-helix	trans	-81.1	-35.4	175.4	-74	-22.7	0	0	0	112.3	R156 E196 T197 M198 K203	R156-D200 IonicContact CZ-OD1 3.73Å; R156-D200 VanDerWaalsContact CZ-OD1 3.22Å; R156-D200 IonicContact NH1-OD1 3.07Å; R156-D200 PolarHBondContact NH1-OD1 3.31Å; R156-D200 IonicContact NH1-OD2 3.86Å; R156-D200 IonicContact NH2-OD1 3.76Å; R156-D200 PolarHBondContact NH2-OD1 3.4Å; E196-D200 PolarHBondContact O-N 2.9Å; T197-D200 PolarHBondContact O-N 3.07Å; M198-D200 PolarHBondContact O-N 3.02Å; D200-K203 PolarHBondContact O-NZ 3.39Å
201	I	81.1	Confident	86.5	Confident	6 Å²	6	45.9 Å²	45.9	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-88.3	-42.2	-178.2	-60	170	0	0	0	111.5	T197 M198 K203 I209 E213 D217 W258	T197-I201 HydrophobicContact CG2-CD1 3.78Å; T197-I201 WeakPolarHBondContact O-CG1 3.46Å; T197-I201 PolarHBondContact O-N 3.04Å; T197-I201 VanDerWaalsContact O-N 3.14Å; M198-I201 PolarHBondContact O-N 2.91Å; I201-K203 WeakPolarHBondContact O-CG 3.37Å; I201-K203 PolarHBondContact O-N 3.2Å; I201-I209 HydrophobicContact CB-CD1 4.06Å; I201-I209 HydrophobicContact CB-CG1 4.17Å; I201-I209 HydrophobicContact CD1-CD1 4.01Å; I201-I209 HydrophobicContact CG2-CB 4.37Å; I201-I209 HydrophobicContact CG2-CD1 4.13Å; I201-I209 HydrophobicContact CG2-CG1 4.02Å; I201-I209 HydrophobicContact CG2-CG2 3.53Å; I201-E213 HydrophobicContact CG2-CB 4.08Å; I201-D217 HydrophobicContact CG1-CB 4.46Å; I201-D217 HydrophobicContact CG2-CB 4.45Å; I201-W258 HydrophobicContact CD1-CH2 3.84Å; I201-W258 HydrophobicContact CD1-CZ3 3.77Å
202	D	87.8	Confident	86.4	Confident	22 Å²	22	50 Å²	50	12%	0.118	28%	0.276	C	S	.	.			trans	-66.2	93.1	178.6	177.7	10.3	0	0	0	110.6	M198 N204 G205 D206 G207	M198-D202 WeakPolarHBondContact O-CB 3.43Å; M198-D202 PolarHBondContact O-N 2.98Å; D202-N204 PolarHBondContact OD1-N 2.7Å; D202-N204 PolarHBondContact OD1-OD1 3.1Å; D202-G205 WeakPolarHBondContact OD1-CA 3.5Å; D202-G205 PolarHBondContact OD1-N 2.72Å; D202-G205 VanDerWaalsContact OD2-CA 3.3Å; D202-G205 WeakPolarHBondContact OD2-CA 3.44Å; D202-D206 PolarHBondContact OD1-N 2.76Å; D202-D206 PolarHBondContact OD2-N 3.26Å; D202-G207 WeakPolarHBondContact OD2-CA 3.39Å; D202-G207 PolarHBondContact OD2-N 3.25Å
203	K	86.2	Confident	86.4	Confident	156 Å²	156	50.4 Å²	50.4	68%	0.678	28%	0.277	S	S	*	.	S	Bend	trans	-80.8	-26.4	-179.1	-58.3	-49.6	-177.4	-169.4	0	111.3	D200 I201 E213	D200-K203 PolarHBondContact O-NZ 3.39Å; I201-K203 WeakPolarHBondContact O-CG 3.37Å; I201-K203 PolarHBondContact O-N 3.2Å; K203-E213 PolarHBondContact N-OE1 3.43Å
204	N	87.6	Confident	86.2	Confident	84 Å²	84	49.3 Å²	49.3	45%	0.449	27%	0.27	S	S	.	.	S	Bend	trans	-88.8	-16.7	-174.9	79.2	45.2	0	0	0	112.9	D202 D206 D210 E213	D202-N204 PolarHBondContact OD1-N 2.7Å; D202-N204 PolarHBondContact OD1-OD1 3.1Å; N204-D206 WeakPolarHBondContact OD1-CB 3.48Å; N204-D206 PolarHBondContact OD1-N 3.24Å; N204-D206 PolarHBondContact OD1-OD1 2.96Å; N204-D210 PolarHBondContact ND2-OD2 2.91Å; N204-E213 VanDerWaalsContact CG-OE1 3.26Å; N204-E213 PolarHBondContact N-OE1 3.23Å; N204-E213 PolarHBondContact ND2-OE1 2.93Å
205	G	88.1	Confident	86	Confident	61 Å²	61	49.5 Å²	49.5	63%	0.629	27%	0.271	S	S	*	.			trans	74.7	25.2	175.8	0	0	0	0	0	114.4	D202 G207	D202-G205 WeakPolarHBondContact OD1-CA 3.5Å; D202-G205 PolarHBondContact OD1-N 2.72Å; D202-G205 VanDerWaalsContact OD2-CA 3.3Å; D202-G205 WeakPolarHBondContact OD2-CA 3.44Å; G205-G207 VanDerWaalsContact C-N 3.33Å
206	D	90.2	Very high	85.3	Confident	76 Å²	76	48.1 Å²	48.1	41%	0.406	27%	0.27	S	S	.	.	S	Bend	trans	-86.2	-5.6	179.7	83.1	-6.8	0	0	0	113.8	D202 N204 F208	D202-D206 PolarHBondContact OD1-N 2.76Å; D202-D206 PolarHBondContact OD2-N 3.26Å; N204-D206 WeakPolarHBondContact OD1-CB 3.48Å; N204-D206 PolarHBondContact OD1-N 3.24Å; N204-D206 PolarHBondContact OD1-OD1 2.96Å; D206-F208 WeakPolarHBondContact O-CD2 3.48Å; D206-F208 WeakPolarHBondContact OD1-CB 3.32Å; D206-F208 PolarHBondContact OD1-N 3.01Å
207	G	89.2	Confident	84.7	Confident	41 Å²	41	51.8 Å²	51.8	42%	0.423	29%	0.29	S	S	.	.	S	Bend	trans	81.6	14.6	178.5	0	0	0	0	0	114	M198 D202 G205	M198-G207 WeakPolarHBondContact CE-O 3.48Å; D202-G207 WeakPolarHBondContact OD2-CA 3.39Å; D202-G207 PolarHBondContact OD2-N 3.25Å; G205-G207 VanDerWaalsContact C-N 3.33Å
208	F	92.9	Very high	84.1	Confident	57 Å²	57	54.1 Å²	54.1	25%	0.25	30%	0.299	C	S	.	.	S	Bend	trans	-127.1	161.8	172.5	-59.6	-91.1	0	0	0	109.2	D206 R249 M250 D251	D206-F208 WeakPolarHBondContact O-CD2 3.48Å; D206-F208 WeakPolarHBondContact OD1-CB 3.32Å; D206-F208 PolarHBondContact OD1-N 3.01Å; F208-R249 HydrophobicContact CB-CB 4.11Å; F208-R249 HydrophobicContact CB-CG 4.17Å; F208-R249 HydrophobicContact CD1-CG 4.17Å; F208-R249 HydrophobicContact CG-CG 4.32Å; F208-M250 WeakPolarHBondContact CA-O 3.44Å; F208-D251 HydrophobicContact CD1-CB 4.06Å; F208-D251 HydrophobicContact CE1-CB 3.96Å
209	I	88.3	Confident	83.6	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	108.5	171.4	-62.2	168.5	0	0	0	107.5	M198 I201 E213 R249 M250 T255	M198-I209 HydrophobicContact CG-CD1 4.09Å; I201-I209 HydrophobicContact CB-CD1 4.06Å; I201-I209 HydrophobicContact CB-CG1 4.17Å; I201-I209 HydrophobicContact CD1-CD1 4.01Å; I201-I209 HydrophobicContact CG2-CB 4.37Å; I201-I209 HydrophobicContact CG2-CD1 4.13Å; I201-I209 HydrophobicContact CG2-CG1 4.02Å; I201-I209 HydrophobicContact CG2-CG2 3.53Å; I209-E213 HydrophobicContact CG2-CB 4.29Å; I209-R249 CarbonylContact O-C 3.49Å; I209-R249 VanDerWaalsContact O-CA 3.32Å; I209-R249 WeakPolarHBondContact O-CA 3.44Å; I209-M250 HydrophobicContact CB-CB 4.25Å; I209-M250 PolarHBondContact N-O 2.83Å; I209-M250 PolarHBondContact O-N 3.32Å; I209-T255 HydrophobicContact CD1-CG2 4.11Å
210	D	91.1	Very high	82.7	Confident	42 Å²	42	58.3 Å²	58.3	23%	0.225	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	171	174.3	74	43.5	0	0	0	112.3	N204 E212 E213 Y214 R249	N204-D210 PolarHBondContact ND2-OD2 2.91Å; D210-E212 PolarHBondContact O-N 2.75Å; D210-E212 WeakPolarHBondContact OD1-CA 3.28Å; D210-E212 WeakPolarHBondContact OD1-CB 3.46Å; D210-E212 PolarHBondContact OD1-N 3.13Å; D210-E213 PolarHBondContact N-OE2 3.38Å; D210-E213 PolarHBondContact O-N 2.79Å; D210-E213 PolarHBondContact OD1-N 3.33Å; D210-Y214 WeakPolarHBondContact O-CB 3.17Å; D210-Y214 PolarHBondContact O-N 2.88Å; D210-R249 HydrophobicContact CB-CB 4.45Å
211	L	87.6	Confident	81.8	Confident	44 Å²	44	60.2 Å²	60.2	23%	0.23	33%	0.327	C	S	.	.	H	α-helix	trans	-62.5	-32.1	-178.7	-176.3	67.9	0	0	0	112.9	I215 R235 F238	L211-I215 HydrophobicContact CD1-CG1 4.2Å; L211-I215 HydrophobicContact CG-CG1 4.48Å; L211-I215 WeakPolarHBondContact O-CB 3.14Å; L211-I215 VanDerWaalsContact O-CG1 3.27Å; L211-I215 WeakPolarHBondContact O-CG1 3.26Å; L211-I215 PolarHBondContact O-N 3.19Å; L211-I215 VanDerWaalsContact O-N 3.11Å; L211-R235 HydrophobicContact CD1-CB 4.27Å; L211-R235 HydrophobicContact CD1-CG 4.06Å; L211-R235 HydrophobicContact CD2-CB 4.47Å; L211-R235 HydrophobicContact CD2-CG 4.2Å; L211-R235 HydrophobicContact CG-CG 4.38Å; L211-F238 HydrophobicContact CB-CD1 4.4Å; L211-F238 HydrophobicContact CB-CE1 4.2Å; L211-F238 HydrophobicContact CD1-CB 3.67Å; L211-F238 HydrophobicContact CD1-CD1 3.56Å; L211-F238 HydrophobicContact CD1-CD2 4.11Å; L211-F238 HydrophobicContact CD1-CE1 4.18Å; L211-F238 HydrophobicContact CD1-CG 3.51Å
212	E	87.3	Confident	80.4	Confident	158 Å²	158	68.5 Å²	68.5	74%	0.738	37%	0.366	S	S	*	.	H	α-helix	trans	-72.7	-37.8	179.5	-62.6	179.8	179.2	0	0	110.4	D210 G216	D210-E212 PolarHBondContact O-N 2.75Å; D210-E212 WeakPolarHBondContact OD1-CA 3.28Å; D210-E212 WeakPolarHBondContact OD1-CB 3.46Å; D210-E212 PolarHBondContact OD1-N 3.13Å; E212-G216 WeakPolarHBondContact O-CA 3.34Å; E212-G216 PolarHBondContact O-N 3.32Å
213	E	86.4	Confident	78.9	Confident	16 Å²	16	71.1 Å²	71.1	8%	0.075	40%	0.398	C	S	.	.	H	α-helix	trans	-69.3	-45.9	174.3	-68.7	172.1	148.1	0	0	112.1	I201 K203 N204 I209 D210 I215 G216 D217	I201-E213 HydrophobicContact CG2-CB 4.08Å; K203-E213 PolarHBondContact N-OE1 3.43Å; N204-E213 VanDerWaalsContact CG-OE1 3.26Å; N204-E213 PolarHBondContact N-OE1 3.23Å; N204-E213 PolarHBondContact ND2-OE1 2.93Å; I209-E213 HydrophobicContact CG2-CB 4.29Å; D210-E213 PolarHBondContact N-OE2 3.38Å; D210-E213 PolarHBondContact O-N 2.79Å; D210-E213 PolarHBondContact OD1-N 3.33Å; E213-I215 PolarHBondContact O-N 3.22Å; E213-G216 PolarHBondContact O-N 2.89Å; E213-D217 PolarHBondContact O-N 3.33Å
214	Y	80.7	Confident	77.5	Confident	5 Å²	5	67.5 Å²	67.5	2%	0.02	39%	0.386	C	S	.	.	H	α-helix	trans	-57.6	-48.7	176.3	179.4	-106.3	0	0	0	112.1	D210 M218 E234 F238 M250 W258	D210-Y214 WeakPolarHBondContact O-CB 3.17Å; D210-Y214 PolarHBondContact O-N 2.88Å; Y214-M218 HydrophobicContact CE1-SD 4.48Å; Y214-E234 HydrophobicContact CE1-CG 3.85Å; Y214-E234 PolarHBondContact OH-OE1 3.46Å; Y214-F238 HydrophobicContact CD1-CB 4.22Å; Y214-F238 AromaticContact CD1-CD2 3.46Å; Y214-F238 HydrophobicContact CD1-CD2 3.46Å; Y214-F238 VanDerWaalsContact CD1-CD2 3.46Å; Y214-F238 HydrophobicContact CD1-CE2 4.2Å; Y214-F238 HydrophobicContact CD1-CG 4.22Å; Y214-F238 HydrophobicContact CD2-CD2 4.09Å; Y214-F238 HydrophobicContact CD2-CE2 4.3Å; Y214-F238 HydrophobicContact CE1-CB 4.14Å; Y214-F238 AromaticContact CE1-CD2 3.9Å; Y214-F238 HydrophobicContact CE1-CD2 3.9Å; Y214-F238 HydrophobicContact CE2-CD2 4.48Å; Y214-F238 AromaticContact CG-CD2 3.56Å; Y214-F238 HydrophobicContact CG-CD2 3.56Å; Y214-F238 AromaticContact CG-CE2 3.86Å; Y214-F238 HydrophobicContact CG-CE2 3.86Å; Y214-M250 HydrophobicContact CD2-SD 4.27Å; Y214-W258 HydrophobicContact CD2-CH2 4.27Å; Y214-W258 HydrophobicContact CD2-CZ2 4.44Å; Y214-W258 HydrophobicContact CE2-CD2 4.49Å; Y214-W258 AromaticContact CE2-CE2 3.96Å; Y214-W258 AromaticContact CE2-CH2 3.96Å; Y214-W258 HydrophobicContact CE2-CH2 3.96Å; Y214-W258 AromaticContact CE2-CZ2 3.68Å; Y214-W258 HydrophobicContact CE2-CZ2 3.68Å; Y214-W258 HydrophobicContact CE2-CZ3 4.46Å
215	I	79.9	Confident	76.2	Confident	5 Å²	5	69.6 Å²	69.6	3%	0.026	40%	0.404	C	S	.	.	H	α-helix	trans	-73.3	-35.8	177.7	-63.3	-60.9	0	0	0	111.1	L211 E213 D217 M218 Y219 V231 E234 R235	L211-I215 HydrophobicContact CD1-CG1 4.2Å; L211-I215 HydrophobicContact CG-CG1 4.48Å; L211-I215 WeakPolarHBondContact O-CB 3.14Å; L211-I215 VanDerWaalsContact O-CG1 3.27Å; L211-I215 WeakPolarHBondContact O-CG1 3.26Å; L211-I215 PolarHBondContact O-N 3.19Å; L211-I215 VanDerWaalsContact O-N 3.11Å; E213-I215 PolarHBondContact O-N 3.22Å; I215-D217 PolarHBondContact O-N 2.85Å; I215-M218 CarbonylContact O-C 3.59Å; I215-M218 PolarHBondContact O-N 2.83Å; I215-M218 VanDerWaalsContact O-N 3.11Å; I215-Y219 WeakPolarHBondContact O-CA 3.36Å; I215-Y219 PolarHBondContact O-N 3.36Å; I215-V231 HydrophobicContact CD1-CG1 4.29Å; I215-V231 HydrophobicContact CG2-CG1 3.59Å; I215-E234 HydrophobicContact CD1-CB 3.97Å; I215-E234 HydrophobicContact CD1-CG 4.07Å; I215-R235 HydrophobicContact CD1-CG 3.97Å; I215-R235 HydrophobicContact CG1-CG 3.93Å
216	G	74.5	Confident	75.2	Confident	26 Å²	26	70 Å²	70	27%	0.268	40%	0.398	S	S	.	.	H	α-helix	trans	-64	-29.1	-179.8	0	0	0	0	0	113.4	E212 E213 N220	E212-G216 WeakPolarHBondContact O-CA 3.34Å; E212-G216 PolarHBondContact O-N 3.32Å; E213-G216 PolarHBondContact O-N 2.89Å; G216-N220 PolarHBondContact O-OD1 3.39Å
217	D	71.8	Confident	74.4	Confident	90 Å²	90	69.3 Å²	69.3	48%	0.481	39%	0.392	S	S	.	.	H	α-helix	trans	-66.8	-38.6	172.4	-164.5	63.9	0	0	0	112	I201 E213 I215	I201-D217 HydrophobicContact CG1-CB 4.46Å; I201-D217 HydrophobicContact CG2-CB 4.45Å; E213-D217 PolarHBondContact O-N 3.33Å; I215-D217 PolarHBondContact O-N 2.85Å
218	M	68.2	Low	73.9	Confident	88 Å²	88	69.1 Å²	69.1	43%	0.433	38%	0.383	S	S	.	.	H	α-helix	trans	-89	-30.4	-179	-57.4	178.2	76.7	0	0	113.7	Y214 I215 W230 E234	Y214-M218 HydrophobicContact CE1-SD 4.48Å; I215-M218 CarbonylContact O-C 3.59Å; I215-M218 PolarHBondContact O-N 2.83Å; I215-M218 VanDerWaalsContact O-N 3.11Å; M218-W230 HydrophobicContact CB-CH2 4.1Å; M218-W230 HydrophobicContact CB-CZ3 4.21Å; M218-W230 HydrophobicContact CE-CZ3 4.25Å; M218-E234 HydrophobicContact CE-CG 4.23Å; M218-E234 HydrophobicContact SD-CG 3.91Å
219	Y	71.8	Confident	73.1	Confident	45 Å²	45	72.5 Å²	72.5	18%	0.176	40%	0.4	C	S	.	.			trans	-147.4	114.7	-170.8	-179.8	-108.7	0	0	0	112.4	I215 Q221 P228 W230 V231	I215-Y219 WeakPolarHBondContact O-CA 3.36Å; I215-Y219 PolarHBondContact O-N 3.36Å; Y219-Q221 HydrophobicContact CE1-CB 3.88Å; Y219-Q221 HydrophobicContact CE1-CG 4.03Å; Y219-P228 HydrophobicContact CE2-CG 3.95Å; Y219-W230 AromaticContact CD2-CZ2 3.98Å; Y219-W230 HydrophobicContact CD2-CZ2 3.98Å; Y219-W230 HydrophobicContact CG-CH2 4.4Å; Y219-W230 HydrophobicContact CG-CZ2 4.22Å; Y219-V231 HydrophobicContact CD1-CG2 3.98Å; Y219-V231 HydrophobicContact CD2-CG2 4.39Å; Y219-V231 HydrophobicContact CG-CG2 3.9Å
220	N	65.4	Low	72.4	Confident	123 Å²	123	76.4 Å²	76.4	66%	0.658	42%	0.415	S	S	*	.			trans	-93.4	116.9	170.1	-75.1	-55.5	0	0	0	110.5	G216 E222	G216-N220 PolarHBondContact O-OD1 3.39Å; N220-E222 PolarHBondContact O-N 3.13Å
221	Q	61.1	Low	71.8	Confident	119 Å²	119	74.4 Å²	74.4	56%	0.556	40%	0.404	S	S	*	.			trans	-75.6	41.2	178.8	-159.2	-177.2	-0.2	0	0	112.7	Y219 G223	Y219-Q221 HydrophobicContact CE1-CB 3.88Å; Y219-Q221 HydrophobicContact CE1-CG 4.03Å; Q221-G223 PolarHBondContact O-N 3.46Å; Q221-G223 VanDerWaalsContact O-N 3.1Å
222	E	52.9	Low	71.4	Confident	181 Å²	181	76.1 Å²	76.1	85%	0.846	41%	0.409	S	S	*	.	S	Bend	trans	-83.3	86.5	177.1	-72.2	-155.9	154.5	0	0	110.9	N220	N220-E222 PolarHBondContact O-N 3.13Å
223	G	55.3	Low	70.9	Confident	77 Å²	77	71 Å²	71	79%	0.794	39%	0.389	S	S	*	.	S	Bend	trans	110.5	-6.7	160.9	0	0	0	0	0	117.1	Q221	Q221-G223 PolarHBondContact O-N 3.46Å; Q221-G223 VanDerWaalsContact O-N 3.1Å
224	D	57.3	Low	70.5	Confident	80 Å²	80	71.5 Å²	71.5	43%	0.428	39%	0.391	S	S	.	.			trans	-102.2	119.1	169.8	-158.8	-33.6	0	0	0	110.8	S226	D224-S226 PolarHBondContact O-N 3.03Å; D224-S226 PolarHBondContact OD1-N 2.76Å; D224-S226 PolarHBondContact OD1-OG 2.65Å
225	P	61	Low	70.6	Confident	127 Å²	127	74.4 Å²	74.4	83%	0.825	40%	0.402	S	S	*	.	S	Bend	trans	-72.1	-8.3	175	28.4	-33.3	0	0	0	113.6
226	S	67.1	Low	70.9	Confident	71 Å²	71	80 Å²	80	50%	0.497	43%	0.429	S	S	.	.	S	Bend	trans	-106.9	120.5	178.5	65.9	0	0	0	0	112	D224	D224-S226 PolarHBondContact O-N 3.03Å; D224-S226 PolarHBondContact OD1-N 2.76Å; D224-S226 PolarHBondContact OD1-OG 2.65Å
227	E	72	Confident	71.1	Confident	60 Å²	60	81.9 Å²	81.9	28%	0.28	43%	0.43	S	S	.	.			trans	-72.3	125.1	172.8	-176.4	169.8	-138	0	0	109.8	V231 K232 R235	E227-V231 HydrophobicContact CG-CB 3.75Å; E227-V231 HydrophobicContact CG-CG1 3.72Å; E227-V231 WeakPolarHBondContact OE1-CG1 3.39Å; E227-K232 HydrophobicContact CG-CG 4.26Å; E227-R235 IonicContact OE1-CZ 3.9Å; E227-R235 VanDerWaalsContact OE1-CZ 3.29Å; E227-R235 IonicContact OE1-NE 3.94Å; E227-R235 PolarHBondContact OE1-NE 3.46Å; E227-R235 IonicContact OE1-NH2 3.73Å; E227-R235 PolarHBondContact OE1-NH2 2.68Å
228	P	80	Confident	71.6	Confident	37 Å²	37	77.7 Å²	77.7	24%	0.24	41%	0.408	C	S	.	.			trans	-58.2	152.1	176.1	-22.8	31.9	0	0	0	112.4	Y219 W230 V231 K232	Y219-P228 HydrophobicContact CE2-CG 3.95Å; P228-W230 VanDerWaalsContact C-N 3.3Å; P228-W230 HydrophobicContact CB-CG 4.18Å; P228-W230 VanDerWaalsContact CB-NE1 3.28Å; P228-W230 PolarHBondContact O-N 3.06Å; P228-V231 HydrophobicContact CB-CG2 4.07Å; P228-V231 HydrophobicContact CG-CG2 4.02Å; P228-V231 WeakPolarHBondContact O-CB 3.5Å; P228-V231 PolarHBondContact O-N 3.19Å; P228-K232 PolarHBondContact O-N 3.35Å
229	E	75.4	Confident	72.5	Confident	129 Å²	129	76.8 Å²	76.8	60%	0.603	41%	0.407	S	S	*	.	H	α-helix	trans	-65.7	-34.5	-178	-152.3	66.6	-168.7	0	0	112.2	V231 K232 T233	E229-V231 VanDerWaalsContact C-N 3.29Å; E229-V231 PolarHBondContact O-N 2.82Å; E229-K232 WeakPolarHBondContact O-CB 3.43Å; E229-K232 PolarHBondContact O-N 3.29Å; E229-K232 VanDerWaalsContact O-N 3.13Å; E229-K232 IonicContact OE1-NZ 3.06Å; E229-K232 IonicContact OE2-NZ 3.41Å; E229-K232 PolarHBondContact OE2-NZ 3.46Å; E229-T233 PolarHBondContact O-N 2.94Å; E229-T233 PolarHBondContact O-OG1 3.14Å
230	W	74	Confident	73.1	Confident	82 Å²	82	80.8 Å²	80.8	31%	0.311	43%	0.428	S	S	.	.	H	α-helix	trans	-60.8	-37.6	174.9	71.6	-101	0	0	0	111.9	M218 Y219 P228 K232 T233 E234	M218-W230 HydrophobicContact CB-CH2 4.1Å; M218-W230 HydrophobicContact CB-CZ3 4.21Å; M218-W230 HydrophobicContact CE-CZ3 4.25Å; Y219-W230 AromaticContact CD2-CZ2 3.98Å; Y219-W230 HydrophobicContact CD2-CZ2 3.98Å; Y219-W230 HydrophobicContact CG-CH2 4.4Å; Y219-W230 HydrophobicContact CG-CZ2 4.22Å; P228-W230 VanDerWaalsContact C-N 3.3Å; P228-W230 HydrophobicContact CB-CG 4.18Å; P228-W230 VanDerWaalsContact CB-NE1 3.28Å; P228-W230 PolarHBondContact O-N 3.06Å; W230-K232 VanDerWaalsContact C-N 3.3Å; W230-K232 PolarHBondContact O-N 2.69Å; W230-T233 WeakPolarHBondContact O-CB 3.38Å; W230-T233 PolarHBondContact O-N 3.34Å; W230-E234 WeakPolarHBondContact O-CB 3.41Å; W230-E234 PolarHBondContact O-N 3.27Å
231	V	78.6	Confident	73.8	Confident	0 Å²	0	81 Å²	81	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-63.9	-38.6	176.8	179.9	0	0	0	0	110.5	I215 Y219 E227 P228 E229 E234 R235	I215-V231 HydrophobicContact CD1-CG1 4.29Å; I215-V231 HydrophobicContact CG2-CG1 3.59Å; Y219-V231 HydrophobicContact CD1-CG2 3.98Å; Y219-V231 HydrophobicContact CD2-CG2 4.39Å; Y219-V231 HydrophobicContact CG-CG2 3.9Å; E227-V231 HydrophobicContact CG-CB 3.75Å; E227-V231 HydrophobicContact CG-CG1 3.72Å; E227-V231 WeakPolarHBondContact OE1-CG1 3.39Å; P228-V231 HydrophobicContact CB-CG2 4.07Å; P228-V231 HydrophobicContact CG-CG2 4.02Å; P228-V231 WeakPolarHBondContact O-CB 3.5Å; P228-V231 PolarHBondContact O-N 3.19Å; E229-V231 VanDerWaalsContact C-N 3.29Å; E229-V231 PolarHBondContact O-N 2.82Å; V231-E234 PolarHBondContact O-N 3.46Å; V231-R235 WeakPolarHBondContact O-CG 3.44Å; V231-R235 PolarHBondContact O-N 3.01Å
232	K	79	Confident	74.8	Confident	79 Å²	79	78.4 Å²	78.4	34%	0.343	41%	0.408	S	S	.	.	H	α-helix	trans	-65.8	-44.8	176.1	-60.9	177.2	-165.2	155.1	0	111.4	E227 P228 E229 W230 E234 R235 E236	E227-K232 HydrophobicContact CG-CG 4.26Å; P228-K232 PolarHBondContact O-N 3.35Å; E229-K232 WeakPolarHBondContact O-CB 3.43Å; E229-K232 PolarHBondContact O-N 3.29Å; E229-K232 VanDerWaalsContact O-N 3.13Å; E229-K232 IonicContact OE1-NZ 3.06Å; E229-K232 IonicContact OE2-NZ 3.41Å; E229-K232 PolarHBondContact OE2-NZ 3.46Å; W230-K232 VanDerWaalsContact C-N 3.3Å; W230-K232 PolarHBondContact O-N 2.69Å; K232-E234 PolarHBondContact O-N 2.93Å; K232-R235 PolarHBondContact O-N 3.21Å; K232-E236 PolarHBondContact O-N 3.23Å; K232-E236 VanDerWaalsContact O-N 3.07Å
233	T	76.6	Confident	76.6	Confident	50 Å²	50	70 Å²	70	31%	0.307	37%	0.369	S	S	.	.	H	α-helix	trans	-57	-42.6	173.6	-54.2	0	0	0	0	110.6	E229 W230 R235 E236 Q237	E229-T233 PolarHBondContact O-N 2.94Å; E229-T233 PolarHBondContact O-OG1 3.14Å; W230-T233 WeakPolarHBondContact O-CB 3.38Å; W230-T233 PolarHBondContact O-N 3.34Å; T233-R235 PolarHBondContact O-N 3.43Å; T233-E236 WeakPolarHBondContact O-CB 3.49Å; T233-E236 PolarHBondContact O-N 2.96Å; T233-E236 VanDerWaalsContact O-N 3.13Å; T233-Q237 WeakPolarHBondContact O-CG 3.34Å; T233-Q237 PolarHBondContact O-N 3.18Å
234	E	77.6	Confident	78.2	Confident	27 Å²	27	72.2 Å²	72.2	13%	0.126	36%	0.356	C	S	.	.	H	α-helix	trans	-68.1	-34.9	-178.2	-154.1	51.5	-148.1	0	0	112.2	Y214 I215 M218 W230 V231 K232 Q237 F238	Y214-E234 HydrophobicContact CE1-CG 3.85Å; Y214-E234 PolarHBondContact OH-OE1 3.46Å; I215-E234 HydrophobicContact CD1-CB 3.97Å; I215-E234 HydrophobicContact CD1-CG 4.07Å; M218-E234 HydrophobicContact CE-CG 4.23Å; M218-E234 HydrophobicContact SD-CG 3.91Å; W230-E234 WeakPolarHBondContact O-CB 3.41Å; W230-E234 PolarHBondContact O-N 3.27Å; V231-E234 PolarHBondContact O-N 3.46Å; K232-E234 PolarHBondContact O-N 2.93Å; E234-Q237 PolarHBondContact O-N 3.47Å; E234-F238 WeakPolarHBondContact O-CB 3.28Å; E234-F238 PolarHBondContact O-N 2.82Å
235	R	83.6	Confident	79.8	Confident	66 Å²	66	72.1 Å²	72.1	25%	0.249	36%	0.356	C	S	.	.	H	α-helix	trans	-64.9	-38.3	170.1	-68.7	-177.9	-174.4	-71.8	-2.7	113	L211 I215 E227 V231 K232 T233 T239	L211-R235 HydrophobicContact CD1-CB 4.27Å; L211-R235 HydrophobicContact CD1-CG 4.06Å; L211-R235 HydrophobicContact CD2-CB 4.47Å; L211-R235 HydrophobicContact CD2-CG 4.2Å; L211-R235 HydrophobicContact CG-CG 4.38Å; I215-R235 HydrophobicContact CD1-CG 3.97Å; I215-R235 HydrophobicContact CG1-CG 3.93Å; E227-R235 IonicContact OE1-CZ 3.9Å; E227-R235 VanDerWaalsContact OE1-CZ 3.29Å; E227-R235 IonicContact OE1-NE 3.94Å; E227-R235 PolarHBondContact OE1-NE 3.46Å; E227-R235 IonicContact OE1-NH2 3.73Å; E227-R235 PolarHBondContact OE1-NH2 2.68Å; V231-R235 WeakPolarHBondContact O-CG 3.44Å; V231-R235 PolarHBondContact O-N 3.01Å; K232-R235 PolarHBondContact O-N 3.21Å; T233-R235 PolarHBondContact O-N 3.43Å; R235-T239 PolarHBondContact O-N 3.03Å; R235-T239 PolarHBondContact O-OG1 3.06Å
236	E	84.9	Confident	81.2	Confident	124 Å²	124	73.3 Å²	73.3	58%	0.579	35%	0.348	S	S	*	.	H	α-helix	trans	-65.8	-45.9	173.9	-69.2	179.3	174.9	0	0	110.2	K232 T233 F238 T239 E240	K232-E236 PolarHBondContact O-N 3.23Å; K232-E236 VanDerWaalsContact O-N 3.07Å; T233-E236 WeakPolarHBondContact O-CB 3.49Å; T233-E236 PolarHBondContact O-N 2.96Å; T233-E236 VanDerWaalsContact O-N 3.13Å; E236-F238 VanDerWaalsContact C-N 3.33Å; E236-F238 PolarHBondContact O-N 2.65Å; E236-T239 PolarHBondContact O-N 3.22Å; E236-E240 WeakPolarHBondContact O-CB 3.5Å; E236-E240 WeakPolarHBondContact O-CG 3.1Å; E236-E240 PolarHBondContact O-N 2.96Å
237	Q	79.9	Confident	82.3	Confident	65 Å²	65	73.2 Å²	73.2	30%	0.304	34%	0.342	S	S	.	.	H	α-helix	trans	-59.9	-41.3	176.4	-72.9	-164.1	39.9	0	0	112.6	T233 E234 T239 E240 F241 R242	T233-Q237 WeakPolarHBondContact O-CG 3.34Å; T233-Q237 PolarHBondContact O-N 3.18Å; E234-Q237 PolarHBondContact O-N 3.47Å; Q237-T239 VanDerWaalsContact C-N 3.35Å; Q237-T239 PolarHBondContact O-N 3.47Å; Q237-E240 PolarHBondContact O-N 3.17Å; Q237-F241 WeakPolarHBondContact O-CB 3.27Å; Q237-F241 PolarHBondContact O-N 3.1Å; Q237-R242 PolarHBondContact O-N 3.38Å
238	F	83.1	Confident	83.2	Confident	2 Å²	2	72.4 Å²	72.4	1%	0.009	35%	0.35	C	S	.	.	I	π-helix	trans	-55.2	-52.8	174.7	-177.7	-85.6	0	0	0	110.7	L211 Y214 E234 E236 E240 R242 D243 M250	L211-F238 HydrophobicContact CB-CD1 4.4Å; L211-F238 HydrophobicContact CB-CE1 4.2Å; L211-F238 HydrophobicContact CD1-CB 3.67Å; L211-F238 HydrophobicContact CD1-CD1 3.56Å; L211-F238 HydrophobicContact CD1-CD2 4.11Å; L211-F238 HydrophobicContact CD1-CE1 4.18Å; L211-F238 HydrophobicContact CD1-CG 3.51Å; Y214-F238 HydrophobicContact CD1-CB 4.22Å; Y214-F238 AromaticContact CD1-CD2 3.46Å; Y214-F238 HydrophobicContact CD1-CD2 3.46Å; Y214-F238 VanDerWaalsContact CD1-CD2 3.46Å; Y214-F238 HydrophobicContact CD1-CE2 4.2Å; Y214-F238 HydrophobicContact CD1-CG 4.22Å; Y214-F238 HydrophobicContact CD2-CD2 4.09Å; Y214-F238 HydrophobicContact CD2-CE2 4.3Å; Y214-F238 HydrophobicContact CE1-CB 4.14Å; Y214-F238 AromaticContact CE1-CD2 3.9Å; Y214-F238 HydrophobicContact CE1-CD2 3.9Å; Y214-F238 HydrophobicContact CE2-CD2 4.48Å; Y214-F238 AromaticContact CG-CD2 3.56Å; Y214-F238 HydrophobicContact CG-CD2 3.56Å; Y214-F238 AromaticContact CG-CE2 3.86Å; Y214-F238 HydrophobicContact CG-CE2 3.86Å; E234-F238 WeakPolarHBondContact O-CB 3.28Å; E234-F238 PolarHBondContact O-N 2.82Å; E236-F238 VanDerWaalsContact C-N 3.33Å; E236-F238 PolarHBondContact O-N 2.65Å; F238-E240 VanDerWaalsContact C-N 3.34Å; F238-E240 PolarHBondContact O-N 3.38Å; F238-R242 HydrophobicContact CD2-CB 4.18Å; F238-R242 HydrophobicContact CG-CB 4.45Å; F238-R242 WeakPolarHBondContact O-CB 3.33Å; F238-R242 PolarHBondContact O-N 2.65Å; F238-R242 VanDerWaalsContact O-N 3.09Å; F238-D243 HydrophobicContact CD1-CB 4.27Å; F238-D243 HydrophobicContact CE1-CB 4.03Å; F238-D243 PolarHBondContact O-N 3.38Å; F238-M250 HydrophobicContact CD2-CG 4.36Å; F238-M250 HydrophobicContact CD2-SD 3.93Å; F238-M250 HydrophobicContact CE2-CG 3.53Å; F238-M250 HydrophobicContact CE2-SD 3.45Å; F238-M250 WeakPolarHBondContact CE2-SD 3.42Å; F238-M250 HydrophobicContact CZ-CG 3.76Å; F238-M250 HydrophobicContact CZ-SD 4.3Å
239	T	86.6	Confident	83.8	Confident	69 Å²	69	74.6 Å²	74.6	42%	0.423	35%	0.353	S	S	.	.	I	π-helix	trans	-70.4	-29.9	-176.1	-51.1	0	0	0	0	113	R235 E236 Q237	R235-T239 PolarHBondContact O-N 3.03Å; R235-T239 PolarHBondContact O-OG1 3.06Å; E236-T239 PolarHBondContact O-N 3.22Å; Q237-T239 VanDerWaalsContact C-N 3.35Å; Q237-T239 PolarHBondContact O-N 3.47Å
240	E	84.1	Confident	84.5	Confident	129 Å²	129	68.4 Å²	68.4	60%	0.603	32%	0.324	S	S	*	.	I	π-helix	trans	-89.5	-37.1	-176.1	-71.2	-165.6	166.8	0	0	113.6	E236 Q237 F238	E236-E240 WeakPolarHBondContact O-CB 3.5Å; E236-E240 WeakPolarHBondContact O-CG 3.1Å; E236-E240 PolarHBondContact O-N 2.96Å; Q237-E240 PolarHBondContact O-N 3.17Å; F238-E240 VanDerWaalsContact C-N 3.34Å; F238-E240 PolarHBondContact O-N 3.38Å
241	F	79.9	Confident	85.4	Confident	127 Å²	127	66.4 Å²	66.4	56%	0.557	32%	0.32	S	S	*	.	I	π-helix	trans	-124	-31.3	-168.4	-62.8	-78.7	0	0	0	114.7	Q237	Q237-F241 WeakPolarHBondContact O-CB 3.27Å; Q237-F241 PolarHBondContact O-N 3.1Å
242	R	82.9	Confident	85.9	Confident	65 Å²	65	70.7 Å²	70.7	25%	0.245	34%	0.338	C	S	.	.	I	π-helix	trans	-86.9	-51.1	-177.1	-52.3	-63.8	-177.9	-118.2	-6.4	111.5	Q237 F238 K244 M250	Q237-R242 PolarHBondContact O-N 3.38Å; F238-R242 HydrophobicContact CD2-CB 4.18Å; F238-R242 HydrophobicContact CG-CB 4.45Å; F238-R242 WeakPolarHBondContact O-CB 3.33Å; F238-R242 PolarHBondContact O-N 2.65Å; F238-R242 VanDerWaalsContact O-N 3.09Å; R242-K244 PolarHBondContact O-N 3.15Å; R242-K244 VanDerWaalsContact O-N 3.16Å; R242-M250 HydrophobicContact CB-CE 4.05Å; R242-M250 HydrophobicContact CB-CG 4.23Å; R242-M250 HydrophobicContact CB-SD 3.71Å; R242-M250 HydrophobicContact CG-SD 4.45Å
243	D	89.5	Confident	86.4	Confident	5 Å²	5	74.2 Å²	74.2	3%	0.027	36%	0.356	C	S	.	.			trans	-81.5	85	173.3	178.2	8.4	0	0	0	110	F238 N245 K246 D247 G248	F238-D243 HydrophobicContact CD1-CB 4.27Å; F238-D243 HydrophobicContact CE1-CB 4.03Å; F238-D243 PolarHBondContact O-N 3.38Å; D243-N245 PolarHBondContact OD1-OD1 2.9Å; D243-K246 VanDerWaalsContact CG-CA 3.46Å; D243-K246 WeakPolarHBondContact OD1-CA 3.32Å; D243-K246 PolarHBondContact OD1-N 3.02Å; D243-K246 VanDerWaalsContact OD2-CA 3.27Å; D243-K246 WeakPolarHBondContact OD2-CA 3.07Å; D243-D247 PolarHBondContact OD1-N 3.27Å; D243-D247 VanDerWaalsContact OD1-N 3.13Å; D243-D247 PolarHBondContact OD2-N 2.51Å; D243-G248 VanDerWaalsContact OD2-CA 3.25Å; D243-G248 WeakPolarHBondContact OD2-CA 3.25Å; D243-G248 PolarHBondContact OD2-N 3.26Å
244	K	88.4	Confident	87	Confident	122 Å²	122	72.2 Å²	72.2	53%	0.53	34%	0.343	S	S	.	.	S	Bend	trans	-71.9	-36.2	-176.7	-65.7	-179.7	-177.6	-178.9	0	111	R242 K246 E254 D257	R242-K244 PolarHBondContact O-N 3.15Å; R242-K244 VanDerWaalsContact O-N 3.16Å; K244-K246 VanDerWaalsContact C-N 3.34Å; K244-E254 WeakPolarHBondContact CA-OE1 3.39Å; K244-E254 HydrophobicContact CB-CG 4.35Å; K244-E254 WeakPolarHBondContact CB-OE1 3.04Å; K244-E254 HydrophobicContact CG-CG 4.41Å; K244-E254 PolarHBondContact N-OE1 2.93Å; K244-D257 IonicContact NZ-OD2 3.57Å; K244-D257 PolarHBondContact NZ-OD2 3.4Å
245	N	90.8	Very high	87.4	Confident	78 Å²	78	70.9 Å²	70.9	42%	0.417	34%	0.337	S	S	.	.	S	Bend	trans	-84	-12.9	-176.4	77.1	37.2	0	0	0	112.8	D243 D247 D251 E254	D243-N245 PolarHBondContact OD1-OD1 2.9Å; N245-D247 WeakPolarHBondContact OD1-CB 3.36Å; N245-D247 PolarHBondContact OD1-N 3.36Å; N245-D247 PolarHBondContact OD1-OD1 2.93Å; N245-D247 VanDerWaalsContact OD1-OD1 3.06Å; N245-D251 PolarHBondContact ND2-OD2 3.42Å; N245-E254 PolarHBondContact N-OE1 3.12Å; N245-E254 PolarHBondContact ND2-OE1 2.97Å
246	K	91.4	Very high	87.4	Confident	152 Å²	152	72.1 Å²	72.1	66%	0.661	34%	0.342	S	S	*	.			trans	63.7	34.9	179.1	-56.3	-166.6	175.7	-159.5	0	114.1	D243 K244	D243-K246 VanDerWaalsContact CG-CA 3.46Å; D243-K246 WeakPolarHBondContact OD1-CA 3.32Å; D243-K246 PolarHBondContact OD1-N 3.02Å; D243-K246 VanDerWaalsContact OD2-CA 3.27Å; D243-K246 WeakPolarHBondContact OD2-CA 3.07Å; K244-K246 VanDerWaalsContact C-N 3.34Å
247	D	90.8	Very high	87.3	Confident	70 Å²	70	68.9 Å²	68.9	37%	0.374	33%	0.328	S	S	.	.	S	Bend	trans	-91.9	0.4	177	85.3	-16.8	0	0	0	113.7	D243 N245 R249	D243-D247 PolarHBondContact OD1-N 3.27Å; D243-D247 VanDerWaalsContact OD1-N 3.13Å; D243-D247 PolarHBondContact OD2-N 2.51Å; N245-D247 WeakPolarHBondContact OD1-CB 3.36Å; N245-D247 PolarHBondContact OD1-N 3.36Å; N245-D247 PolarHBondContact OD1-OD1 2.93Å; N245-D247 VanDerWaalsContact OD1-OD1 3.06Å; D247-R249 WeakPolarHBondContact OD1-CG 3.44Å; D247-R249 PolarHBondContact OD1-N 3.33Å; D247-R249 IonicContact OD1-NE 3.23Å; D247-R249 IonicContact OD2-CZ 3.47Å; D247-R249 IonicContact OD2-NE 2.82Å; D247-R249 PolarHBondContact OD2-NE 2.89Å; D247-R249 IonicContact OD2-NH2 2.59Å; D247-R249 PolarHBondContact OD2-NH2 2.99Å
248	G	89.3	Confident	87.3	Confident	42 Å²	42	69.2 Å²	69.2	43%	0.433	33%	0.327	S	S	.	.	S	Bend	trans	89	8.8	173.4	0	0	0	0	0	114.5	D243	D243-G248 VanDerWaalsContact OD2-CA 3.25Å; D243-G248 WeakPolarHBondContact OD2-CA 3.25Å; D243-G248 PolarHBondContact OD2-N 3.26Å
249	R	92.7	Very high	86.9	Confident	83 Å²	83	71 Å²	71	31%	0.313	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	159.9	-176.8	55.7	-172.6	-179.9	163.1	12	109.2	F208 I209 D210 D247	F208-R249 HydrophobicContact CB-CB 4.11Å; F208-R249 HydrophobicContact CB-CG 4.17Å; F208-R249 HydrophobicContact CD1-CG 4.17Å; F208-R249 HydrophobicContact CG-CG 4.32Å; I209-R249 CarbonylContact O-C 3.49Å; I209-R249 VanDerWaalsContact O-CA 3.32Å; I209-R249 WeakPolarHBondContact O-CA 3.44Å; D210-R249 HydrophobicContact CB-CB 4.45Å; D247-R249 WeakPolarHBondContact OD1-CG 3.44Å; D247-R249 PolarHBondContact OD1-N 3.33Å; D247-R249 IonicContact OD1-NE 3.23Å; D247-R249 IonicContact OD2-CZ 3.47Å; D247-R249 IonicContact OD2-NE 2.82Å; D247-R249 PolarHBondContact OD2-NE 2.89Å; D247-R249 IonicContact OD2-NH2 2.59Å; D247-R249 PolarHBondContact OD2-NH2 2.99Å
250	M	90.3	Very high	86.2	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.8	175.5	-64.3	171.5	64.7	0	0	110.1	F208 I209 Y214 F238 R242 E254 W258	F208-M250 WeakPolarHBondContact CA-O 3.44Å; I209-M250 HydrophobicContact CB-CB 4.25Å; I209-M250 PolarHBondContact N-O 2.83Å; I209-M250 PolarHBondContact O-N 3.32Å; Y214-M250 HydrophobicContact CD2-SD 4.27Å; F238-M250 HydrophobicContact CD2-CG 4.36Å; F238-M250 HydrophobicContact CD2-SD 3.93Å; F238-M250 HydrophobicContact CE2-CG 3.53Å; F238-M250 HydrophobicContact CE2-SD 3.45Å; F238-M250 WeakPolarHBondContact CE2-SD 3.42Å; F238-M250 HydrophobicContact CZ-CG 3.76Å; F238-M250 HydrophobicContact CZ-SD 4.3Å; R242-M250 HydrophobicContact CB-CE 4.05Å; R242-M250 HydrophobicContact CB-CG 4.23Å; R242-M250 HydrophobicContact CB-SD 3.71Å; R242-M250 HydrophobicContact CG-SD 4.45Å; M250-E254 WeakPolarHBondContact CA-OE2 3.35Å; M250-E254 HydrophobicContact CB-CB 4.22Å; M250-W258 HydrophobicContact CE-CB 3.8Å; M250-W258 HydrophobicContact CE-CD2 4.08Å; M250-W258 HydrophobicContact CE-CE3 3.79Å; M250-W258 HydrophobicContact CE-CG 4.12Å
251	D	92.6	Very high	85.6	Confident	40 Å²	40	65.4 Å²	65.4	21%	0.214	31%	0.31	C	S	.	.			trans	-85.2	175.5	167.9	71.4	42.5	0	0	0	112.4	F208 N245 E253 E254 T255	F208-D251 HydrophobicContact CD1-CB 4.06Å; F208-D251 HydrophobicContact CE1-CB 3.96Å; N245-D251 PolarHBondContact ND2-OD2 3.42Å; D251-E253 VanDerWaalsContact C-N 3.27Å; D251-E253 PolarHBondContact O-N 3.08Å; D251-E253 WeakPolarHBondContact OD1-CA 3.15Å; D251-E253 WeakPolarHBondContact OD1-CB 3.47Å; D251-E253 PolarHBondContact OD1-N 3.47Å; D251-E254 PolarHBondContact N-OE2 3.07Å; D251-E254 PolarHBondContact O-N 3.28Å; D251-E254 PolarHBondContact OD1-N 3.19Å; D251-T255 PolarHBondContact O-N 3.27Å; D251-T255 PolarHBondContact O-OG1 3.49Å; D251-T255 VanDerWaalsContact O-OG1 3.04Å
252	K	90.1	Very high	84.9	Confident	89 Å²	89	64.1 Å²	64.1	39%	0.387	32%	0.317	S	S	.	.	H	α-helix	trans	-56.8	-36.8	-178.8	-172.9	-178.7	-179.7	-175.4	0	113.5	V194 M198 R256	V194-K252 HydrophobicContact CG1-CG 3.74Å; M198-K252 HydrophobicContact CE-CB 4.48Å; M198-K252 HydrophobicContact SD-CB 3.89Å; M198-K252 HydrophobicContact SD-CG 4.05Å; K252-R256 VanDerWaalsContact O-CB 3.27Å; K252-R256 WeakPolarHBondContact O-CB 3.45Å; K252-R256 PolarHBondContact O-N 2.97Å
253	E	90	Very high	84	Confident	153 Å²	153	68.5 Å²	68.5	72%	0.715	35%	0.345	S	S	*	.	H	α-helix	trans	-72.6	-40.9	-179.6	-64	-173.6	177.7	0	0	110.5	D251 R256 D257	D251-E253 VanDerWaalsContact C-N 3.27Å; D251-E253 PolarHBondContact O-N 3.08Å; D251-E253 WeakPolarHBondContact OD1-CA 3.15Å; D251-E253 WeakPolarHBondContact OD1-CB 3.47Å; D251-E253 PolarHBondContact OD1-N 3.47Å; E253-R256 WeakPolarHBondContact O-CB 3.45Å; E253-R256 PolarHBondContact O-N 2.88Å; E253-D257 PolarHBondContact O-N 3.25Å
254	E	89.3	Confident	82.9	Confident	8 Å²	8	73.6 Å²	73.6	4%	0.037	37%	0.365	C	S	.	.	H	α-helix	trans	-65.3	-43.4	175.4	-70	169	151	0	0	112	K244 N245 M250 D251 R256 D257 W258	K244-E254 WeakPolarHBondContact CA-OE1 3.39Å; K244-E254 HydrophobicContact CB-CG 4.35Å; K244-E254 WeakPolarHBondContact CB-OE1 3.04Å; K244-E254 HydrophobicContact CG-CG 4.41Å; K244-E254 PolarHBondContact N-OE1 2.93Å; N245-E254 PolarHBondContact N-OE1 3.12Å; N245-E254 PolarHBondContact ND2-OE1 2.97Å; M250-E254 WeakPolarHBondContact CA-OE2 3.35Å; M250-E254 HydrophobicContact CB-CB 4.22Å; D251-E254 PolarHBondContact N-OE2 3.07Å; D251-E254 PolarHBondContact O-N 3.28Å; D251-E254 PolarHBondContact OD1-N 3.19Å; E254-R256 VanDerWaalsContact C-N 3.34Å; E254-R256 PolarHBondContact O-N 3.42Å; E254-D257 PolarHBondContact O-N 3.13Å; E254-W258 WeakPolarHBondContact O-CB 3.29Å; E254-W258 PolarHBondContact O-N 2.82Å
255	T	84.7	Confident	82.3	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-60.7	-43.7	172.3	-53.5	0	0	0	0	111	V194 M198 I209 D251 D257 W258 I259	V194-T255 HydrophobicContact CG1-CG2 4.11Å; M198-T255 HydrophobicContact CG-CG2 3.8Å; I209-T255 HydrophobicContact CD1-CG2 4.11Å; D251-T255 PolarHBondContact O-N 3.27Å; D251-T255 PolarHBondContact O-OG1 3.49Å; D251-T255 VanDerWaalsContact O-OG1 3.04Å; T255-D257 VanDerWaalsContact C-N 3.34Å; T255-D257 PolarHBondContact O-N 3.39Å; T255-W258 HydrophobicContact CG2-CE3 4.14Å; T255-W258 WeakPolarHBondContact O-CB 3.31Å; T255-W258 PolarHBondContact O-N 3.4Å; T255-W258 VanDerWaalsContact O-N 3.15Å; T255-I259 HydrophobicContact CG2-CG2 4.33Å; T255-I259 WeakPolarHBondContact O-CG1 3.4Å; T255-I259 PolarHBondContact O-N 3.13Å
256	R	84.3	Confident	81.4	Confident	92 Å²	92	71 Å²	71	35%	0.347	35%	0.354	S	S	.	.	H	α-helix	trans	-58.9	-44.8	177.1	-177.3	177	-172.1	-85.5	-0.6	112.3	D191 V194 K252 E253 E254 W258 L260	D191-R256 IonicContact OD1-NE 2.71Å; V194-R256 HydrophobicContact CG1-CB 4.26Å; V194-R256 HydrophobicContact CG2-CB 3.71Å; V194-R256 HydrophobicContact CG2-CG 3.85Å; K252-R256 VanDerWaalsContact O-CB 3.27Å; K252-R256 WeakPolarHBondContact O-CB 3.45Å; K252-R256 PolarHBondContact O-N 2.97Å; E253-R256 WeakPolarHBondContact O-CB 3.45Å; E253-R256 PolarHBondContact O-N 2.88Å; E254-R256 VanDerWaalsContact C-N 3.34Å; E254-R256 PolarHBondContact O-N 3.42Å; R256-W258 VanDerWaalsContact C-N 3.26Å; R256-W258 PolarHBondContact O-N 3.25Å; R256-L260 CarbonylContact O-C 3.34Å; R256-L260 WeakPolarHBondContact O-CA 3.47Å; R256-L260 WeakPolarHBondContact O-CB 3.4Å; R256-L260 PolarHBondContact O-N 3.04Å
257	D	83.3	Confident	80.8	Confident	56 Å²	56	64 Å²	64	30%	0.299	32%	0.324	S	S	.	.	H	α-helix	trans	-70.1	-26	179.1	-73.7	-13.1	0	0	0	112.7	K244 E253 E254 T255	K244-D257 IonicContact NZ-OD2 3.57Å; K244-D257 PolarHBondContact NZ-OD2 3.4Å; E253-D257 PolarHBondContact O-N 3.25Å; E254-D257 PolarHBondContact O-N 3.13Å; T255-D257 VanDerWaalsContact C-N 3.34Å; T255-D257 PolarHBondContact O-N 3.39Å
258	W	79.3	Confident	80.4	Confident	71 Å²	71	63.3 Å²	63.3	27%	0.269	32%	0.318	S	S	.	.	H	α-helix	trans	-72.8	-50.8	173.2	169.7	45.1	0	0	0	112	I201 Y214 M250 E254 T255 R256	I201-W258 HydrophobicContact CD1-CH2 3.84Å; I201-W258 HydrophobicContact CD1-CZ3 3.77Å; Y214-W258 HydrophobicContact CD2-CH2 4.27Å; Y214-W258 HydrophobicContact CD2-CZ2 4.44Å; Y214-W258 HydrophobicContact CE2-CD2 4.49Å; Y214-W258 AromaticContact CE2-CE2 3.96Å; Y214-W258 AromaticContact CE2-CH2 3.96Å; Y214-W258 HydrophobicContact CE2-CH2 3.96Å; Y214-W258 AromaticContact CE2-CZ2 3.68Å; Y214-W258 HydrophobicContact CE2-CZ2 3.68Å; Y214-W258 HydrophobicContact CE2-CZ3 4.46Å; M250-W258 HydrophobicContact CE-CB 3.8Å; M250-W258 HydrophobicContact CE-CD2 4.08Å; M250-W258 HydrophobicContact CE-CE3 3.79Å; M250-W258 HydrophobicContact CE-CG 4.12Å; E254-W258 WeakPolarHBondContact O-CB 3.29Å; E254-W258 PolarHBondContact O-N 2.82Å; T255-W258 HydrophobicContact CG2-CE3 4.14Å; T255-W258 WeakPolarHBondContact O-CB 3.31Å; T255-W258 PolarHBondContact O-N 3.4Å; T255-W258 VanDerWaalsContact O-N 3.15Å; R256-W258 VanDerWaalsContact C-N 3.26Å; R256-W258 PolarHBondContact O-N 3.25Å
259	I	74.6	Confident	79.8	Confident	39 Å²	39	62.7 Å²	62.7	20%	0.2	31%	0.309	C	S	.	.	H	α-helix	trans	-83.8	-26.8	-174.5	69.5	164.8	0	0	0	113.6	V193 V194 T197 T255	V193-I259 HydrophobicContact CG1-CD1 3.98Å; V194-I259 HydrophobicContact CB-CD1 4.13Å; V194-I259 HydrophobicContact CG2-CD1 3.6Å; V194-I259 HydrophobicContact CG2-CG1 4.05Å; T197-I259 HydrophobicContact CG2-CG2 4.23Å; T255-I259 HydrophobicContact CG2-CG2 4.33Å; T255-I259 WeakPolarHBondContact O-CG1 3.4Å; T255-I259 PolarHBondContact O-N 3.13Å
260	L	72.5	Confident	79	Confident	33 Å²	33	59.3 Å²	59.3	17%	0.173	30%	0.297	C	S	.	.	S	Bend	trans	-135.7	69	-177.1	-70.3	166.3	0	0	0	109.8	K190 V194 R256 S262	K190-L260 HydrophobicContact CB-CD1 3.65Å; K190-L260 HydrophobicContact CD-CD1 3.99Å; K190-L260 HydrophobicContact CG-CD1 3.64Å; V194-L260 HydrophobicContact CG2-CD1 4.44Å; R256-L260 CarbonylContact O-C 3.34Å; R256-L260 WeakPolarHBondContact O-CA 3.47Å; R256-L260 WeakPolarHBondContact O-CB 3.4Å; R256-L260 PolarHBondContact O-N 3.04Å; L260-S262 PolarHBondContact O-N 2.9Å
261	P	70.6	Confident	78.7	Confident	49 Å²	49	59.3 Å²	59.3	32%	0.318	30%	0.297	S	S	.	.			trans	-61.5	127.5	-179.4	-12.7	25.2	0	0	0	109.9	D263 Y264	P261-D263 PolarHBondContact O-N 3.21Å; P261-Y264 PolarHBondContact O-N 3.38Å
262	S	65.3	Low	78.3	Confident	99 Å²	99	62.5 Å²	62.5	69%	0.692	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.3	-174.2	59.5	0	0	0	0	114.4	L260	L260-S262 PolarHBondContact O-N 2.9Å
263	D	63.7	Low	77.9	Confident	157 Å²	157	59.7 Å²	59.7	84%	0.84	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	2.5	-173.1	-58.6	-18	0	0	0	112.8	P261	P261-D263 PolarHBondContact O-N 3.21Å
264	Y	67.3	Low	77.6	Confident	112 Å²	112	52.4 Å²	52.4	44%	0.439	26%	0.263	S	S	.	.			trans	-100.2	107.3	-176.7	-166.3	-106.3	0	0	0	111.6	P261 H266 A269	P261-Y264 PolarHBondContact O-N 3.38Å; Y264-H266 AromaticContact CD1-CD2 3.78Å; Y264-H266 AromaticContact CD1-CE1 3.55Å; Y264-H266 AromaticContact CD1-CG 3.79Å; Y264-H266 AromaticContact CD1-ND1 3.66Å; Y264-H266 AromaticContact CD1-NE2 3.59Å; Y264-H266 HydrophobicContact CE1-CB 4.39Å; Y264-H266 AromaticContact CE1-CD2 3.42Å; Y264-H266 VanDerWaalsContact CE1-CD2 3.42Å; Y264-H266 WeakPolarHBondContact CE1-CD2 3.49Å; Y264-H266 AromaticContact CE1-CE1 4Å; Y264-H266 AromaticContact CE1-CG 3.72Å; Y264-H266 AromaticContact CE1-NE2 3.58Å; Y264-H266 PolarHBondContact O-N 3.33Å; Y264-A269 HydrophobicContact CE1-CB 4.47Å; Y264-A269 HydrophobicContact CE2-CB 3.93Å; Y264-A269 VanDerWaalsContact OH-CB 3.29Å; Y264-A269 WeakPolarHBondContact OH-CB 3.49Å
265	D	75.1	Confident	77.4	Confident	47 Å²	47	52.4 Å²	52.4	25%	0.251	26%	0.263	S	S	.	.			trans	-93.4	94.9	173.3	-168.5	-20.8	0	0	0	108.5	K95 K99 A267 E268 A269	K95-D265 WeakPolarHBondContact CE-OD2 3.26Å; K95-D265 IonicContact NZ-OD2 3.78Å; K95-D265 PolarHBondContact NZ-OD2 3.11Å; K99-D265 WeakPolarHBondContact CE-OD1 3.46Å; K99-D265 IonicContact NZ-OD1 2.63Å; K99-D265 PolarHBondContact NZ-OD1 3.43Å; K99-D265 IonicContact NZ-OD2 2.65Å; K99-D265 PolarHBondContact NZ-OD2 3.47Å; D265-A267 PolarHBondContact O-N 3.05Å; D265-A267 PolarHBondContact OD1-N 3.33Å; D265-E268 HydrophobicContact CB-CB 3.79Å; D265-E268 WeakPolarHBondContact O-CA 3.37Å; D265-E268 WeakPolarHBondContact O-CB 3.25Å; D265-E268 PolarHBondContact O-N 2.89Å; D265-A269 PolarHBondContact O-N 3.28Å
266	H	73	Confident	77.3	Confident	100 Å²	100	60.5 Å²	60.5	46%	0.463	30%	0.295	S	S	.	.	H	α-helix	trans	-49.4	-43.9	-178.6	-69.7	83.7	0	0	0	112.1	Y264 E268 A269 E270	Y264-H266 AromaticContact CD1-CD2 3.78Å; Y264-H266 AromaticContact CD1-CE1 3.55Å; Y264-H266 AromaticContact CD1-CG 3.79Å; Y264-H266 AromaticContact CD1-ND1 3.66Å; Y264-H266 AromaticContact CD1-NE2 3.59Å; Y264-H266 HydrophobicContact CE1-CB 4.39Å; Y264-H266 AromaticContact CE1-CD2 3.42Å; Y264-H266 VanDerWaalsContact CE1-CD2 3.42Å; Y264-H266 WeakPolarHBondContact CE1-CD2 3.49Å; Y264-H266 AromaticContact CE1-CE1 4Å; Y264-H266 AromaticContact CE1-CG 3.72Å; Y264-H266 AromaticContact CE1-NE2 3.58Å; Y264-H266 PolarHBondContact O-N 3.33Å; H266-E268 VanDerWaalsContact C-N 3.28Å; H266-E268 PolarHBondContact O-N 3.29Å; H266-A269 PolarHBondContact O-N 3.38Å; H266-E270 WeakPolarHBondContact O-CB 3.45Å; H266-E270 PolarHBondContact O-N 3.25Å
267	A	77.9	Confident	77.1	Confident	4 Å²	4	59.7 Å²	59.7	3%	0.033	30%	0.295	C	S	.	.	H	α-helix	trans	-66.8	-28.1	178.6	0	0	0	0	0	113.2	K95 I98 K99 D265 A271	K95-A267 HydrophobicContact CG-CB 4.32Å; I98-A267 HydrophobicContact CB-CB 4.24Å; I98-A267 HydrophobicContact CG2-CB 3.78Å; K99-A267 HydrophobicContact CD-CB 4.27Å; K99-A267 HydrophobicContact CG-CB 3.57Å; D265-A267 PolarHBondContact O-N 3.05Å; D265-A267 PolarHBondContact OD1-N 3.33Å; A267-A271 WeakPolarHBondContact O-CB 3.35Å; A267-A271 PolarHBondContact O-N 2.7Å
268	E	81.9	Confident	77.2	Confident	55 Å²	55	57 Å²	57	26%	0.257	28%	0.281	S	S	.	.	H	α-helix	trans	-76.2	-41.6	174.2	-171.4	176.4	148.6	0	0	112.1	K95 D265 H266 E270 A271 K272	K95-E268 HydrophobicContact CD-CB 3.81Å; K95-E268 HydrophobicContact CD-CG 4.07Å; K95-E268 HydrophobicContact CG-CB 4.4Å; K95-E268 IonicContact NZ-OE2 3.59Å; K95-E268 PolarHBondContact NZ-OE2 3.17Å; D265-E268 HydrophobicContact CB-CB 3.79Å; D265-E268 WeakPolarHBondContact O-CA 3.37Å; D265-E268 WeakPolarHBondContact O-CB 3.25Å; D265-E268 PolarHBondContact O-N 2.89Å; H266-E268 VanDerWaalsContact C-N 3.28Å; H266-E268 PolarHBondContact O-N 3.29Å; E268-E270 VanDerWaalsContact C-N 3.34Å; E268-A271 PolarHBondContact O-N 2.86Å; E268-K272 HydrophobicContact CG-CD 4.19Å; E268-K272 WeakPolarHBondContact O-CB 3.34Å; E268-K272 VanDerWaalsContact O-CG 3.29Å; E268-K272 WeakPolarHBondContact O-CG 3.46Å; E268-K272 PolarHBondContact O-N 3.31Å; E268-K272 WeakPolarHBondContact OE1-CE 3.42Å; E268-K272 IonicContact OE1-NZ 2.87Å; E268-K272 PolarHBondContact OE1-NZ 2.68Å
269	A	77.1	Confident	77.6	Confident	29 Å²	29	54.6 Å²	54.6	24%	0.24	27%	0.273	C	S	.	.	H	α-helix	trans	-60.7	-47.4	175.8	0	0	0	0	0	110.4	Y264 D265 H266 K272 H273	Y264-A269 HydrophobicContact CE1-CB 4.47Å; Y264-A269 HydrophobicContact CE2-CB 3.93Å; Y264-A269 VanDerWaalsContact OH-CB 3.29Å; Y264-A269 WeakPolarHBondContact OH-CB 3.49Å; D265-A269 PolarHBondContact O-N 3.28Å; H266-A269 PolarHBondContact O-N 3.38Å; A269-K272 PolarHBondContact O-N 2.78Å; A269-H273 WeakPolarHBondContact O-CB 3.46Å; A269-H273 PolarHBondContact O-N 2.83Å
270	E	77	Confident	78.2	Confident	13 Å²	13	57.1 Å²	57.1	6%	0.061	29%	0.287	C	S	.	.	H	α-helix	trans	-64.5	-44.8	177.8	-178.1	63.9	-179.5	0	0	112	H50 I98 H266 E268 K272 H273 L274 S301 Q302	H50-E270 IonicContact CE1-OE2 3.89Å; H50-E270 IonicContact NE2-OE2 2.89Å; I98-E270 HydrophobicContact CD1-CB 4.17Å; I98-E270 HydrophobicContact CD1-CG 3.87Å; H266-E270 WeakPolarHBondContact O-CB 3.45Å; H266-E270 PolarHBondContact O-N 3.25Å; E268-E270 VanDerWaalsContact C-N 3.34Å; E270-K272 VanDerWaalsContact C-N 3.32Å; E270-K272 PolarHBondContact O-N 3.19Å; E270-H273 PolarHBondContact O-N 3.2Å; E270-H273 IonicContact OE2-ND1 3.85Å; E270-L274 HydrophobicContact CG-CD1 4.2Å; E270-L274 WeakPolarHBondContact O-CG 3.44Å; E270-L274 PolarHBondContact O-N 3.35Å; E270-S301 WeakPolarHBondContact OE1-CB 3.15Å; E270-Q302 HydrophobicContact CG-CB 4.13Å; E270-Q302 HydrophobicContact CG-CG 4.26Å
271	A	83.9	Confident	78.9	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59	-42.8	175.1	0	0	0	0	0	112.5	V91 M94 K95 I98 A267 E268 V275	V91-A271 HydrophobicContact CG1-CB 4.16Å; M94-A271 HydrophobicContact CB-CB 3.94Å; M94-A271 HydrophobicContact CG-CB 3.87Å; K95-A271 HydrophobicContact CB-CB 3.84Å; I98-A271 HydrophobicContact CD1-CB 4.08Å; A267-A271 WeakPolarHBondContact O-CB 3.35Å; A267-A271 PolarHBondContact O-N 2.7Å; E268-A271 PolarHBondContact O-N 2.86Å; A271-V275 VanDerWaalsContact O-CG2 3.29Å; A271-V275 WeakPolarHBondContact O-CG2 3.44Å; A271-V275 PolarHBondContact O-N 2.65Å
272	K	83.8	Confident	79.7	Confident	107 Å²	107	66 Å²	66	47%	0.465	32%	0.324	S	S	.	.	H	α-helix	trans	-64.6	-41.3	177	-78.2	171.3	172.8	166.6	0	111.6	V91 E268 A269 E270 Y276	V91-K272 HydrophobicContact CG1-CG 3.71Å; E268-K272 HydrophobicContact CG-CD 4.19Å; E268-K272 WeakPolarHBondContact O-CB 3.34Å; E268-K272 VanDerWaalsContact O-CG 3.29Å; E268-K272 WeakPolarHBondContact O-CG 3.46Å; E268-K272 PolarHBondContact O-N 3.31Å; E268-K272 WeakPolarHBondContact OE1-CE 3.42Å; E268-K272 IonicContact OE1-NZ 2.87Å; E268-K272 PolarHBondContact OE1-NZ 2.68Å; A269-K272 PolarHBondContact O-N 2.78Å; E270-K272 VanDerWaalsContact C-N 3.32Å; E270-K272 PolarHBondContact O-N 3.19Å; K272-Y276 WeakPolarHBondContact O-CB 3.28Å; K272-Y276 PolarHBondContact O-N 3.21Å
273	H	81.8	Confident	80.7	Confident	30 Å²	30	64.7 Å²	64.7	14%	0.139	31%	0.309	C	S	.	.	H	α-helix	trans	-62.2	-50.6	176.8	175.9	-115	0	0	0	111.2	F46 A269 E270 V275 Y276 E277	F46-H273 AromaticContact CD2-CD2 3.78Å; F46-H273 AromaticContact CD2-NE2 3.69Å; A269-H273 WeakPolarHBondContact O-CB 3.46Å; A269-H273 PolarHBondContact O-N 2.83Å; E270-H273 PolarHBondContact O-N 3.2Å; E270-H273 IonicContact OE2-ND1 3.85Å; H273-V275 VanDerWaalsContact C-N 3.31Å; H273-V275 PolarHBondContact O-N 3.4Å; H273-Y276 PolarHBondContact O-N 2.91Å; H273-Y276 VanDerWaalsContact O-N 3.14Å; H273-E277 WeakPolarHBondContact O-CB 3.35Å; H273-E277 PolarHBondContact O-N 2.94Å
274	L	82.9	Confident	81.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57.8	-42.3	178	-71.1	173.6	0	0	0	112.7	M94 I98 E270 S278 L297 F298 A303	M94-L274 HydrophobicContact CG-CD1 4.24Å; M94-L274 HydrophobicContact SD-CD1 4.2Å; I98-L274 HydrophobicContact CD1-CD1 4.19Å; E270-L274 HydrophobicContact CG-CD1 4.2Å; E270-L274 WeakPolarHBondContact O-CG 3.44Å; E270-L274 PolarHBondContact O-N 3.35Å; L274-S278 WeakPolarHBondContact O-CB 3.37Å; L274-S278 PolarHBondContact O-N 3.09Å; L274-S278 PolarHBondContact O-OG 3.13Å; L274-L297 HydrophobicContact CD2-CD2 4.09Å; L274-L297 HydrophobicContact CD2-CG 3.88Å; L274-F298 HydrophobicContact CB-CE1 4.12Å; L274-F298 HydrophobicContact CB-CZ 4.06Å; L274-F298 HydrophobicContact CD1-CD1 4.45Å; L274-F298 HydrophobicContact CD1-CE1 4.05Å; L274-F298 HydrophobicContact CD2-CD1 4.29Å; L274-F298 HydrophobicContact CD2-CE1 4.12Å; L274-F298 HydrophobicContact CD2-CZ 4.34Å; L274-F298 HydrophobicContact CG-CE1 4.34Å; L274-A303 HydrophobicContact CD1-CB 3.85Å
275	V	85.1	Confident	82.7	Confident	7 Å²	7	57.1 Å²	57.1	4%	0.042	28%	0.282	C	S	.	.	H	α-helix	trans	-66.6	-49.2	175.1	174.3	0	0	0	0	110.7	V91 A271 H273 E277 S278 D279 L286	V91-V275 HydrophobicContact CG2-CB 3.96Å; V91-V275 HydrophobicContact CG2-CG1 3.99Å; V91-V275 HydrophobicContact CG2-CG2 3.75Å; A271-V275 VanDerWaalsContact O-CG2 3.29Å; A271-V275 WeakPolarHBondContact O-CG2 3.44Å; A271-V275 PolarHBondContact O-N 2.65Å; H273-V275 VanDerWaalsContact C-N 3.31Å; H273-V275 PolarHBondContact O-N 3.4Å; V275-E277 VanDerWaalsContact C-N 3.34Å; V275-E277 PolarHBondContact O-N 2.56Å; V275-S278 PolarHBondContact O-N 2.87Å; V275-D279 HydrophobicContact CG1-CB 4.35Å; V275-D279 WeakPolarHBondContact O-CB 3.42Å; V275-D279 PolarHBondContact O-N 2.96Å; V275-L286 HydrophobicContact CB-CD1 4.47Å; V275-L286 HydrophobicContact CB-CG 4.43Å; V275-L286 HydrophobicContact CG1-CG 4.36Å; V275-L286 HydrophobicContact CG2-CD1 3.95Å; V275-L286 HydrophobicContact CG2-CG 4.06Å
276	Y	82.9	Confident	83.3	Confident	171 Å²	171	54.9 Å²	54.9	67%	0.671	27%	0.27	S	S	*	.	H	α-helix	trans	-59.7	-41.7	-177.7	179.2	-98.8	0	0	0	113.4	K272 H273 S278	K272-Y276 WeakPolarHBondContact O-CB 3.28Å; K272-Y276 PolarHBondContact O-N 3.21Å; H273-Y276 PolarHBondContact O-N 2.91Å; H273-Y276 VanDerWaalsContact O-N 3.14Å; Y276-S278 VanDerWaalsContact C-N 3.33Å
277	E	80.9	Confident	84.2	Confident	75 Å²	75	52 Å²	52	35%	0.35	26%	0.259	S	S	.	.	H	α-helix	trans	-77.3	-18.7	-179.1	-77	-58.5	133.3	0	0	114	H273 V275 K294 L297	H273-E277 WeakPolarHBondContact O-CB 3.35Å; H273-E277 PolarHBondContact O-N 2.94Å; V275-E277 VanDerWaalsContact C-N 3.34Å; V275-E277 PolarHBondContact O-N 2.56Å; E277-K294 WeakPolarHBondContact O-CE 3.44Å; E277-K294 PolarHBondContact O-NZ 2.93Å; E277-L297 HydrophobicContact CB-CD2 3.53Å; E277-L297 HydrophobicContact CG-CD2 4.4Å
278	S	84.4	Confident	84.7	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-111.7	-19.3	-173.2	-50.4	0	0	0	0	114.6	L274 V275 Y276 N280 L286 E290 F298	L274-S278 WeakPolarHBondContact O-CB 3.37Å; L274-S278 PolarHBondContact O-N 3.09Å; L274-S278 PolarHBondContact O-OG 3.13Å; V275-S278 PolarHBondContact O-N 2.87Å; Y276-S278 VanDerWaalsContact C-N 3.33Å; S278-N280 PolarHBondContact O-N 3.36Å; S278-N280 VanDerWaalsContact O-N 3.12Å; S278-L286 VanDerWaalsContact C-CD2 3.47Å; S278-E290 WeakPolarHBondContact O-CB 3.45Å; S278-F298 VanDerWaalsContact OG-CE2 3.28Å; S278-F298 WeakPolarHBondContact OG-CE2 3.08Å
279	D	87.2	Confident	85	Confident	20 Å²	20	56.5 Å²	56.5	11%	0.107	29%	0.29	C	S	.	.			trans	-75	96.7	179.1	179.9	2.1	0	0	0	110.2	V275 D281 K282 D283 G284 L286	V275-D279 HydrophobicContact CG1-CB 4.35Å; V275-D279 WeakPolarHBondContact O-CB 3.42Å; V275-D279 PolarHBondContact O-N 2.96Å; D279-D281 PolarHBondContact OD1-N 3Å; D279-K282 VanDerWaalsContact CG-CA 3.45Å; D279-K282 WeakPolarHBondContact OD1-CA 3.35Å; D279-K282 PolarHBondContact OD1-N 3.28Å; D279-K282 VanDerWaalsContact OD2-CA 3.22Å; D279-K282 WeakPolarHBondContact OD2-CA 3.27Å; D279-D283 PolarHBondContact OD1-N 3.08Å; D279-D283 PolarHBondContact OD2-N 3.44Å; D279-G284 WeakPolarHBondContact OD2-CA 3.3Å; D279-G284 PolarHBondContact OD2-N 3.16Å; D279-L286 HydrophobicContact CB-CD2 3.82Å; D279-L286 VanDerWaalsContact N-CD2 3.33Å
280	N	87.2	Confident	85.5	Confident	91 Å²	91	55.7 Å²	55.7	49%	0.487	28%	0.282	S	S	.	.	S	Bend	trans	-77.4	-34	-174	-80.8	-39.3	0	0	0	111.8	S278 E290 E293	S278-N280 PolarHBondContact O-N 3.36Å; S278-N280 VanDerWaalsContact O-N 3.12Å; N280-E290 HydrophobicContact CB-CG 4.43Å; N280-E290 PolarHBondContact N-OE1 2.87Å; N280-E290 VanDerWaalsContact N-OE1 3.15Å; N280-E293 PolarHBondContact ND2-OE2 2.73Å; N280-E293 VanDerWaalsContact ND2-OE2 3.15Å
281	D	87.3	Confident	85.8	Confident	101 Å²	101	55.1 Å²	55.1	54%	0.54	28%	0.279	S	S	.	.	S	Bend	trans	-96	-5	-177.2	75.5	9.5	0	0	0	114.1	D279 D283	D279-D281 PolarHBondContact OD1-N 3Å; D281-D283 VanDerWaalsContact C-N 3.29Å; D281-D283 VanDerWaalsContact OD1-CB 3.27Å; D281-D283 WeakPolarHBondContact OD1-CB 3.36Å; D281-D283 PolarHBondContact OD1-N 2.97Å; D281-D283 VanDerWaalsContact OD1-N 3.16Å
282	K	88.1	Confident	85.8	Confident	169 Å²	169	56.7 Å²	56.7	74%	0.735	29%	0.289	S	S	*	.			trans	63.4	32.8	175.5	-55.6	-170.3	177.6	-162.7	0	112.8	D279 G284	D279-K282 VanDerWaalsContact CG-CA 3.45Å; D279-K282 WeakPolarHBondContact OD1-CA 3.35Å; D279-K282 PolarHBondContact OD1-N 3.28Å; D279-K282 VanDerWaalsContact OD2-CA 3.22Å; D279-K282 WeakPolarHBondContact OD2-CA 3.27Å; K282-G284 VanDerWaalsContact C-N 3.29Å
283	D	86.3	Confident	85.9	Confident	71 Å²	71	57.7 Å²	57.7	38%	0.38	30%	0.295	S	S	.	.	S	Bend	trans	-83	-7.2	177.9	83	0.8	0	0	0	113.4	D279 D281 H285	D279-D283 PolarHBondContact OD1-N 3.08Å; D279-D283 PolarHBondContact OD2-N 3.44Å; D281-D283 VanDerWaalsContact C-N 3.29Å; D281-D283 VanDerWaalsContact OD1-CB 3.27Å; D281-D283 WeakPolarHBondContact OD1-CB 3.36Å; D281-D283 PolarHBondContact OD1-N 2.97Å; D281-D283 VanDerWaalsContact OD1-N 3.16Å; D283-H285 WeakPolarHBondContact OD1-CA 3.32Å; D283-H285 WeakPolarHBondContact OD1-CB 3.11Å; D283-H285 PolarHBondContact OD1-N 2.78Å
284	G	83.1	Confident	85.9	Confident	34 Å²	34	59.5 Å²	59.5	35%	0.351	30%	0.302	S	S	.	.	S	Bend	trans	85.4	7.7	179.4	0	0	0	0	0	114.1	D279 K282	D279-G284 WeakPolarHBondContact OD2-CA 3.3Å; D279-G284 PolarHBondContact OD2-N 3.16Å; K282-G284 VanDerWaalsContact C-N 3.29Å
285	H	88.9	Confident	85.7	Confident	76 Å²	76	61.5 Å²	61.5	35%	0.352	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	154.7	-179.8	-60	-76.6	0	0	0	110.4	Y88 D283	Y88-H285 HydrophobicContact CD1-CB 4.1Å; Y88-H285 HydrophobicContact CG-CB 4.44Å; D283-H285 WeakPolarHBondContact OD1-CA 3.32Å; D283-H285 WeakPolarHBondContact OD1-CB 3.11Å; D283-H285 PolarHBondContact OD1-N 2.78Å
286	L	89.4	Confident	85	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.2	177	-63.9	-178.1	0	0	0	111.3	Y88 V89 M94 V275 S278 D279 E290 I291 F298	Y88-L286 CarbonylContact C-O 3.59Å; Y88-L286 WeakPolarHBondContact CA-O 3.43Å; V89-L286 HydrophobicContact CB-CB 4.33Å; V89-L286 PolarHBondContact N-O 3.45Å; V89-L286 PolarHBondContact O-N 3.34Å; M94-L286 HydrophobicContact CE-CD1 4.21Å; V275-L286 HydrophobicContact CB-CD1 4.47Å; V275-L286 HydrophobicContact CB-CG 4.43Å; V275-L286 HydrophobicContact CG1-CG 4.36Å; V275-L286 HydrophobicContact CG2-CD1 3.95Å; V275-L286 HydrophobicContact CG2-CG 4.06Å; S278-L286 VanDerWaalsContact C-CD2 3.47Å; D279-L286 HydrophobicContact CB-CD2 3.82Å; D279-L286 VanDerWaalsContact N-CD2 3.33Å; L286-E290 HydrophobicContact CD2-CB 4.46Å; L286-I291 HydrophobicContact CB-CD1 3.87Å; L286-I291 HydrophobicContact CB-CG1 3.82Å; L286-I291 HydrophobicContact CD1-CD1 4.22Å; L286-I291 HydrophobicContact CD1-CG1 3.83Å; L286-I291 HydrophobicContact CG-CG1 4.46Å; L286-F298 HydrophobicContact CD1-CE2 4.35Å; L286-F298 HydrophobicContact CD1-CZ 3.64Å
287	T	91.1	Very high	84.7	Confident	38 Å²	38	58.9 Å²	58.9	23%	0.233	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	158.3	166.8	66.1	0	0	0	0	110.9	Y88 A289 E290 I291	Y88-T287 HydrophobicContact CD1-CG2 3.83Å; Y88-T287 HydrophobicContact CE1-CG2 3.7Å; T287-A289 PolarHBondContact O-N 2.85Å; T287-A289 VanDerWaalsContact O-N 3.12Å; T287-E290 WeakPolarHBondContact CB-OE2 3.48Å; T287-E290 WeakPolarHBondContact CG2-OE2 2.94Å; T287-E290 PolarHBondContact N-OE2 3.34Å; T287-E290 PolarHBondContact O-N 3.04Å; T287-E290 VanDerWaalsContact O-N 3.1Å; T287-E290 WeakPolarHBondContact OG1-CG 2.81Å; T287-E290 PolarHBondContact OG1-N 2.86Å; T287-E290 PolarHBondContact OG1-OE2 2.81Å; T287-I291 PolarHBondContact O-N 2.99Å; T287-I291 VanDerWaalsContact O-N 3.16Å
288	K	88	Confident	84.2	Confident	84 Å²	84	55.4 Å²	55.4	37%	0.365	29%	0.291	S	S	.	.	H	α-helix	trans	-52.7	-34.4	171.3	-178.7	168.9	174.9	150.7	0	112.7	G75 V78 E79 V292	G75-K288 VanDerWaalsContact CA-CE 3.49Å; G75-K288 WeakPolarHBondContact O-CE 3.4Å; G75-K288 PolarHBondContact O-NZ 2.72Å; V78-K288 HydrophobicContact CB-CG 4.43Å; V78-K288 HydrophobicContact CG1-CB 4.05Å; V78-K288 HydrophobicContact CG1-CG 4.43Å; V78-K288 HydrophobicContact CG2-CG 4.44Å; E79-K288 IonicContact OE1-NZ 3.82Å; E79-K288 PolarHBondContact OE1-NZ 3Å; K288-V292 HydrophobicContact CG-CG2 4.36Å; K288-V292 VanDerWaalsContact O-CB 3.3Å; K288-V292 WeakPolarHBondContact O-CB 2.93Å; K288-V292 WeakPolarHBondContact O-CG2 3.47Å; K288-V292 PolarHBondContact O-N 2.7Å; K288-V292 VanDerWaalsContact O-N 3.15Å
289	A	88.1	Confident	83.5	Confident	70 Å²	70	55.8 Å²	55.8	58%	0.579	29%	0.294	S	S	*	.	H	α-helix	trans	-68.3	-42.1	179.9	0	0	0	0	0	111.9	T287 V292 E293	T287-A289 PolarHBondContact O-N 2.85Å; T287-A289 VanDerWaalsContact O-N 3.12Å; A289-V292 PolarHBondContact O-N 2.79Å; A289-E293 VanDerWaalsContact O-CB 3.27Å; A289-E293 WeakPolarHBondContact O-CB 3.42Å; A289-E293 PolarHBondContact O-N 2.97Å
290	E	87.4	Confident	82.3	Confident	12 Å²	12	56.8 Å²	56.8	6%	0.056	31%	0.309	C	S	.	.	H	α-helix	trans	-66.5	-44.1	179.6	-74.6	162.5	138.8	0	0	112.1	S278 N280 L286 T287 V292 E293 K294	S278-E290 WeakPolarHBondContact O-CB 3.45Å; N280-E290 HydrophobicContact CB-CG 4.43Å; N280-E290 PolarHBondContact N-OE1 2.87Å; N280-E290 VanDerWaalsContact N-OE1 3.15Å; L286-E290 HydrophobicContact CD2-CB 4.46Å; T287-E290 WeakPolarHBondContact CB-OE2 3.48Å; T287-E290 WeakPolarHBondContact CG2-OE2 2.94Å; T287-E290 PolarHBondContact N-OE2 3.34Å; T287-E290 PolarHBondContact O-N 3.04Å; T287-E290 VanDerWaalsContact O-N 3.1Å; T287-E290 WeakPolarHBondContact OG1-CG 2.81Å; T287-E290 PolarHBondContact OG1-N 2.86Å; T287-E290 PolarHBondContact OG1-OE2 2.81Å; E290-V292 VanDerWaalsContact C-N 3.34Å; E290-V292 PolarHBondContact O-N 3.25Å; E290-E293 PolarHBondContact O-N 3.07Å; E290-K294 PolarHBondContact O-N 3.47Å
291	I	83.2	Confident	81.3	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-44.7	176.2	-64.6	171.2	0	0	0	110.9	V78 V89 L286 T287 K294 Y295 F298	V78-I291 HydrophobicContact CB-CD1 4.49Å; V78-I291 HydrophobicContact CG1-CD1 4.15Å; V78-I291 HydrophobicContact CG2-CB 3.97Å; V78-I291 HydrophobicContact CG2-CD1 3.56Å; V78-I291 HydrophobicContact CG2-CG1 4.34Å; V78-I291 HydrophobicContact CG2-CG2 3.75Å; V89-I291 HydrophobicContact CB-CD1 4.15Å; V89-I291 HydrophobicContact CG2-CD1 3.96Å; L286-I291 HydrophobicContact CB-CD1 3.87Å; L286-I291 HydrophobicContact CB-CG1 3.82Å; L286-I291 HydrophobicContact CD1-CD1 4.22Å; L286-I291 HydrophobicContact CD1-CG1 3.83Å; L286-I291 HydrophobicContact CG-CG1 4.46Å; T287-I291 PolarHBondContact O-N 2.99Å; T287-I291 VanDerWaalsContact O-N 3.16Å; I291-K294 CarbonylContact O-C 3.56Å; I291-K294 PolarHBondContact O-N 2.87Å; I291-Y295 PolarHBondContact O-N 2.99Å; I291-F298 HydrophobicContact CB-CD2 4.42Å; I291-F298 HydrophobicContact CB-CE2 4.13Å; I291-F298 HydrophobicContact CB-CZ 4.41Å; I291-F298 HydrophobicContact CG1-CE1 4.49Å; I291-F298 HydrophobicContact CG1-CE2 4.02Å; I291-F298 HydrophobicContact CG1-CZ 3.9Å; I291-F298 HydrophobicContact CG2-CD1 4.08Å; I291-F298 HydrophobicContact CG2-CD2 3.81Å; I291-F298 HydrophobicContact CG2-CE1 4.2Å; I291-F298 HydrophobicContact CG2-CE2 3.91Å; I291-F298 HydrophobicContact CG2-CG 3.9Å; I291-F298 HydrophobicContact CG2-CZ 4.12Å
292	V	85.3	Confident	80.1	Confident	33 Å²	33	50.5 Å²	50.5	20%	0.2	27%	0.273	C	S	.	.	H	α-helix	trans	-72.8	-29.7	-179.3	171.8	0	0	0	0	112.1	K71 L74 K288 A289 E290 Y295	K71-V292 HydrophobicContact CB-CG1 3.71Å; K71-V292 HydrophobicContact CD-CG1 4.09Å; K71-V292 HydrophobicContact CG-CG1 3.71Å; L74-V292 HydrophobicContact CB-CG2 4.46Å; K288-V292 HydrophobicContact CG-CG2 4.36Å; K288-V292 VanDerWaalsContact O-CB 3.3Å; K288-V292 WeakPolarHBondContact O-CB 2.93Å; K288-V292 WeakPolarHBondContact O-CG2 3.47Å; K288-V292 PolarHBondContact O-N 2.7Å; K288-V292 VanDerWaalsContact O-N 3.15Å; A289-V292 PolarHBondContact O-N 2.79Å; E290-V292 VanDerWaalsContact C-N 3.34Å; E290-V292 PolarHBondContact O-N 3.25Å; V292-Y295 WeakPolarHBondContact O-CB 3.31Å
293	E	85.4	Confident	78.8	Confident	127 Å²	127	42.4 Å²	42.4	59%	0.593	24%	0.238	S	C	*	.	H	α-helix	trans	-67.4	-41.5	173	-176	170.4	-155	0	0	110.7	N280 A289 E290 Y295	N280-E293 PolarHBondContact ND2-OE2 2.73Å; N280-E293 VanDerWaalsContact ND2-OE2 3.15Å; A289-E293 VanDerWaalsContact O-CB 3.27Å; A289-E293 WeakPolarHBondContact O-CB 3.42Å; A289-E293 PolarHBondContact O-N 2.97Å; E290-E293 PolarHBondContact O-N 3.07Å; E293-Y295 PolarHBondContact O-N 3.25Å
294	K	82.4	Confident	77.6	Confident	68 Å²	68	39 Å²	39	30%	0.296	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	34.2	176.8	-64	-73.2	-171.6	133.7	0	113.1	E277 E290 I291 D296 L297 F298	E277-K294 WeakPolarHBondContact O-CE 3.44Å; E277-K294 PolarHBondContact O-NZ 2.93Å; E290-K294 PolarHBondContact O-N 3.47Å; I291-K294 CarbonylContact O-C 3.56Å; I291-K294 PolarHBondContact O-N 2.87Å; K294-D296 PolarHBondContact O-N 2.95Å; K294-D296 VanDerWaalsContact O-N 3.17Å; K294-L297 WeakPolarHBondContact O-CB 3.34Å; K294-L297 PolarHBondContact O-N 2.72Å; K294-F298 HydrophobicContact CB-CD2 4.3Å; K294-F298 HydrophobicContact CB-CE2 4.41Å; K294-F298 WeakPolarHBondContact O-CD2 3.3Å; K294-F298 PolarHBondContact O-N 3.39Å
295	Y	77.8	Confident	76.5	Confident	42 Å²	42	38.2 Å²	38.2	17%	0.165	21%	0.208	C	C	.	.	H	α-helix	trans	-55.5	-38	-174.9	81	-78	0	0	0	113.3	P67 K71 L74 I291 V292 E293 L297 F298 V299	P67-Y295 HydrophobicContact CB-CE2 4.2Å; K71-Y295 HydrophobicContact CD-CD1 4.45Å; K71-Y295 HydrophobicContact CG-CD1 4.38Å; K71-Y295 HydrophobicContact CG-CG 4.07Å; L74-Y295 VanDerWaalsContact CD1-CB 3.45Å; I291-Y295 PolarHBondContact O-N 2.99Å; V292-Y295 WeakPolarHBondContact O-CB 3.31Å; E293-Y295 PolarHBondContact O-N 3.25Å; Y295-L297 VanDerWaalsContact C-N 3.29Å; Y295-L297 PolarHBondContact O-N 3.11Å; Y295-F298 PolarHBondContact O-N 2.74Å; Y295-V299 HydrophobicContact CD2-CG2 4.33Å; Y295-V299 WeakPolarHBondContact O-CB 3.35Å; Y295-V299 WeakPolarHBondContact O-CG2 3.37Å; Y295-V299 PolarHBondContact O-N 2.9Å
296	D	70.4	Confident	75	Confident	84 Å²	84	36.5 Å²	36.5	45%	0.449	20%	0.199	S	C	.	.	H	α-helix	trans	-60.3	-38.3	179.8	-65.7	-55.8	0	0	0	112.2	K294	K294-D296 PolarHBondContact O-N 2.95Å; K294-D296 VanDerWaalsContact O-N 3.17Å
297	L	76.3	Confident	73.3	Confident	39 Å²	39	36.9 Å²	36.9	20%	0.204	20%	0.203	C	C	.	.	H	α-helix	trans	-69.8	-46.5	177.2	178.9	68.6	0	0	0	110.7	L274 E277 K294 Y295 G300 S301	L274-L297 HydrophobicContact CD2-CD2 4.09Å; L274-L297 HydrophobicContact CD2-CG 3.88Å; E277-L297 HydrophobicContact CB-CD2 3.53Å; E277-L297 HydrophobicContact CG-CD2 4.4Å; K294-L297 WeakPolarHBondContact O-CB 3.34Å; K294-L297 PolarHBondContact O-N 2.72Å; Y295-L297 VanDerWaalsContact C-N 3.29Å; Y295-L297 PolarHBondContact O-N 3.11Å; L297-G300 PolarHBondContact O-N 3.35Å; L297-S301 PolarHBondContact O-N 3.09Å
298	F	71.6	Confident	71.8	Confident	2 Å²	2	38 Å²	38	1%	0.009	21%	0.205	C	C	.	.	H	α-helix	trans	-67.4	-40.6	-177.7	-84.1	-83.4	0	0	0	113	L74 M94 L274 S278 L286 I291 K294 Y295 G300 S301 A303 T304	L74-F298 HydrophobicContact CD1-CB 4.36Å; L74-F298 HydrophobicContact CD2-CB 3.74Å; M94-F298 HydrophobicContact CE-CE1 3.44Å; M94-F298 VanDerWaalsContact CE-CE1 3.44Å; M94-F298 HydrophobicContact CE-CZ 3.95Å; M94-F298 HydrophobicContact SD-CE1 4.16Å; L274-F298 HydrophobicContact CB-CE1 4.12Å; L274-F298 HydrophobicContact CB-CZ 4.06Å; L274-F298 HydrophobicContact CD1-CD1 4.45Å; L274-F298 HydrophobicContact CD1-CE1 4.05Å; L274-F298 HydrophobicContact CD2-CD1 4.29Å; L274-F298 HydrophobicContact CD2-CE1 4.12Å; L274-F298 HydrophobicContact CD2-CZ 4.34Å; L274-F298 HydrophobicContact CG-CE1 4.34Å; S278-F298 VanDerWaalsContact OG-CE2 3.28Å; S278-F298 WeakPolarHBondContact OG-CE2 3.08Å; L286-F298 HydrophobicContact CD1-CE2 4.35Å; L286-F298 HydrophobicContact CD1-CZ 3.64Å; I291-F298 HydrophobicContact CB-CD2 4.42Å; I291-F298 HydrophobicContact CB-CE2 4.13Å; I291-F298 HydrophobicContact CB-CZ 4.41Å; I291-F298 HydrophobicContact CG1-CE1 4.49Å; I291-F298 HydrophobicContact CG1-CE2 4.02Å; I291-F298 HydrophobicContact CG1-CZ 3.9Å; I291-F298 HydrophobicContact CG2-CD1 4.08Å; I291-F298 HydrophobicContact CG2-CD2 3.81Å; I291-F298 HydrophobicContact CG2-CE1 4.2Å; I291-F298 HydrophobicContact CG2-CE2 3.91Å; I291-F298 HydrophobicContact CG2-CG 3.9Å; I291-F298 HydrophobicContact CG2-CZ 4.12Å; K294-F298 HydrophobicContact CB-CD2 4.3Å; K294-F298 HydrophobicContact CB-CE2 4.41Å; K294-F298 WeakPolarHBondContact O-CD2 3.3Å; K294-F298 PolarHBondContact O-N 3.39Å; Y295-F298 PolarHBondContact O-N 2.74Å; F298-G300 VanDerWaalsContact C-N 3.26Å; F298-G300 PolarHBondContact O-N 3.11Å; F298-S301 WeakPolarHBondContact O-CB 3.21Å; F298-S301 PolarHBondContact O-N 2.92Å; F298-S301 VanDerWaalsContact O-N 3.1Å; F298-S301 PolarHBondContact O-OG 3.24Å; F298-A303 HydrophobicContact CD1-CB 4.49Å; F298-T304 WeakPolarHBondContact O-CG2 3.34Å; F298-T304 PolarHBondContact O-OG1 2.83Å
299	V	69.2	Low	70.1	Confident	9 Å²	9	34 Å²	34	6%	0.055	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-34.2	179.7	173.3	0	0	0	0	111.7	F62 L74 Y295 S301 T304 F306 G307 L310	F62-V299 HydrophobicContact CD2-CG1 4.13Å; L74-V299 HydrophobicContact CD1-CG2 4.07Å; Y295-V299 HydrophobicContact CD2-CG2 4.33Å; Y295-V299 WeakPolarHBondContact O-CB 3.35Å; Y295-V299 WeakPolarHBondContact O-CG2 3.37Å; Y295-V299 PolarHBondContact O-N 2.9Å; V299-S301 VanDerWaalsContact C-N 3.32Å; V299-T304 VanDerWaalsContact C-OG1 3.28Å; V299-T304 WeakPolarHBondContact CA-OG1 3.4Å; V299-T304 PolarHBondContact O-OG1 3.1Å; V299-F306 CarbonylContact O-C 3.16Å; V299-G307 VanDerWaalsContact O-CA 3.26Å; V299-G307 WeakPolarHBondContact O-CA 3.46Å; V299-G307 PolarHBondContact O-N 2.9Å; V299-L310 HydrophobicContact CB-CD1 4.17Å; V299-L310 HydrophobicContact CG1-CD1 4.19Å; V299-L310 HydrophobicContact CG2-CD1 3.48Å; V299-L310 VanDerWaalsContact CG2-CD1 3.48Å
300	G	62.4	Low	68.5	Low	41 Å²	41	30.8 Å²	30.8	42%	0.423	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	2.7	177.4	0	0	0	0	0	114.5	L297 F298 F306	L297-G300 PolarHBondContact O-N 3.35Å; F298-G300 VanDerWaalsContact C-N 3.26Å; F298-G300 PolarHBondContact O-N 3.11Å; G300-F306 WeakPolarHBondContact O-CD1 3.42Å
301	S	66.1	Low	66.9	Low	3 Å²	3	31.6 Å²	31.6	2%	0.021	17%	0.17	C	C	.	.	S	Bend	trans	-96.7	165.9	-172.1	74.9	0	0	0	0	113	E270 L297 F298 V299 A303 T304 D305 F306	E270-S301 WeakPolarHBondContact OE1-CB 3.15Å; L297-S301 PolarHBondContact O-N 3.09Å; F298-S301 WeakPolarHBondContact O-CB 3.21Å; F298-S301 PolarHBondContact O-N 2.92Å; F298-S301 VanDerWaalsContact O-N 3.1Å; F298-S301 PolarHBondContact O-OG 3.24Å; V299-S301 VanDerWaalsContact C-N 3.32Å; S301-A303 PolarHBondContact O-N 2.64Å; S301-A303 VanDerWaalsContact O-N 3.17Å; S301-A303 WeakPolarHBondContact OG-CB 3.16Å; S301-A303 PolarHBondContact OG-N 2.68Å; S301-T304 PolarHBondContact O-N 3.09Å; S301-T304 VanDerWaalsContact O-N 3.13Å; S301-T304 PolarHBondContact O-OG1 2.81Å; S301-D305 PolarHBondContact O-N 2.86Å; S301-F306 PolarHBondContact O-N 3.21Å
302	Q	62.2	Low	65.6	Low	56 Å²	56	33.7 Å²	33.7	26%	0.262	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-61.3	-21.9	170.6	-61.5	-174.7	-16.7	0	0	112.6	I98 E270 T304 D305 F306	I98-Q302 HydrophobicContact CG2-CB 3.83Å; E270-Q302 HydrophobicContact CG-CB 4.13Å; E270-Q302 HydrophobicContact CG-CG 4.26Å; Q302-T304 PolarHBondContact O-N 3.07Å; Q302-D305 PolarHBondContact O-N 2.96Å; Q302-F306 HydrophobicContact CB-CZ 4.5Å; Q302-F306 HydrophobicContact CG-CE1 4.25Å; Q302-F306 HydrophobicContact CG-CE2 4.26Å; Q302-F306 HydrophobicContact CG-CZ 3.57Å
303	A	60.9	Low	64	Low	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-66	-23.7	177.8	0	0	0	0	0	112.6	M94 W97 I98 L274 F298 S301	M94-A303 HydrophobicContact SD-CB 3.96Å; W97-A303 PolarHBondContact NE1-O 3.3Å; I98-A303 HydrophobicContact CG1-CB 3.97Å; L274-A303 HydrophobicContact CD1-CB 3.85Å; F298-A303 HydrophobicContact CD1-CB 4.49Å; S301-A303 PolarHBondContact O-N 2.64Å; S301-A303 VanDerWaalsContact O-N 3.17Å; S301-A303 WeakPolarHBondContact OG-CB 3.16Å; S301-A303 PolarHBondContact OG-N 2.68Å
304	T	60.8	Low	62.1	Low	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-117	19.6	174.1	62.4	0	0	0	0	112.7	L74 L77 F298 V299 S301 Q302 F306 G307 E308 A309 L310	L74-T304 HydrophobicContact CD2-CG2 3.86Å; L77-T304 HydrophobicContact CD2-CG2 3.69Å; F298-T304 WeakPolarHBondContact O-CG2 3.34Å; F298-T304 PolarHBondContact O-OG1 2.83Å; V299-T304 VanDerWaalsContact C-OG1 3.28Å; V299-T304 WeakPolarHBondContact CA-OG1 3.4Å; V299-T304 PolarHBondContact O-OG1 3.1Å; S301-T304 PolarHBondContact O-N 3.09Å; S301-T304 VanDerWaalsContact O-N 3.13Å; S301-T304 PolarHBondContact O-OG1 2.81Å; Q302-T304 PolarHBondContact O-N 3.07Å; T304-F306 PolarHBondContact O-N 3.03Å; T304-G307 CarbonylContact O-C 3.55Å; T304-G307 WeakPolarHBondContact O-CA 3.33Å; T304-G307 PolarHBondContact O-N 3.07Å; T304-G307 PolarHBondContact OG1-N 3.35Å; T304-E308 PolarHBondContact O-N 3.19Å; T304-A309 WeakPolarHBondContact O-CB 3.34Å; T304-A309 PolarHBondContact O-N 3.33Å; T304-A309 VanDerWaalsContact O-N 3.15Å; T304-L310 HydrophobicContact CG2-CD1 4.15Å; T304-L310 HydrophobicContact CG2-CD2 4.24Å; T304-L310 HydrophobicContact CG2-CG 4.07Å
305	D	60.1	Low	60.4	Low	17 Å²	17	36.3 Å²	36.3	9%	0.091	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	51.4	46.3	-179.3	-168.5	32.3	0	0	0	111	S301 Q302 G307 E308 A309 R312	S301-D305 PolarHBondContact O-N 2.86Å; Q302-D305 PolarHBondContact O-N 2.96Å; D305-G307 PolarHBondContact O-N 2.77Å; D305-E308 WeakPolarHBondContact O-CB 3.49Å; D305-E308 PolarHBondContact O-N 2.85Å; D305-A309 HydrophobicContact CB-CB 4.17Å; D305-R312 IonicContact OD2-NH1 3.29Å; D305-R312 IonicContact OD2-NH2 3.95Å
306	F	57.6	Low	58.8	Low	40 Å²	40	38.1 Å²	38.1	18%	0.175	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	55.3	31.1	-176.8	-50.9	-76.4	0	0	0	114	H50 L54 T61 V299 G300 S301 Q302 T304	H50-F306 AromaticContact CD2-CE1 3.99Å; L54-F306 HydrophobicContact CD1-CD1 3.78Å; L54-F306 HydrophobicContact CD1-CD2 4.03Å; L54-F306 HydrophobicContact CD1-CE1 3.28Å; L54-F306 HydrophobicContact CD1-CE2 3.53Å; L54-F306 HydrophobicContact CD1-CG 4.14Å; L54-F306 HydrophobicContact CD1-CZ 3.14Å; L54-F306 HydrophobicContact CD2-CE2 4.27Å; L54-F306 HydrophobicContact CD2-CZ 4.46Å; L54-F306 HydrophobicContact CG-CZ 4.39Å; T61-F306 PolarHBondContact OG1-O 3.14Å; V299-F306 CarbonylContact O-C 3.16Å; G300-F306 WeakPolarHBondContact O-CD1 3.42Å; S301-F306 PolarHBondContact O-N 3.21Å; Q302-F306 HydrophobicContact CB-CZ 4.5Å; Q302-F306 HydrophobicContact CG-CE1 4.25Å; Q302-F306 HydrophobicContact CG-CE2 4.26Å; Q302-F306 HydrophobicContact CG-CZ 3.57Å; T304-F306 PolarHBondContact O-N 3.03Å
307	G	52.8	Low	58.2	Low	7 Å²	7	35.8 Å²	35.8	7%	0.072	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	94.3	-9.1	174.2	0	0	0	0	0	113.2	V299 T304 D305 A309 L310 A311	V299-G307 VanDerWaalsContact O-CA 3.26Å; V299-G307 WeakPolarHBondContact O-CA 3.46Å; V299-G307 PolarHBondContact O-N 2.9Å; T304-G307 CarbonylContact O-C 3.55Å; T304-G307 WeakPolarHBondContact O-CA 3.33Å; T304-G307 PolarHBondContact O-N 3.07Å; T304-G307 PolarHBondContact OG1-N 3.35Å; D305-G307 PolarHBondContact O-N 2.77Å; G307-A309 VanDerWaalsContact C-N 3.26Å; G307-A309 PolarHBondContact O-N 3Å; G307-L310 PolarHBondContact O-N 2.81Å; G307-L310 VanDerWaalsContact O-N 3.15Å; G307-A311 PolarHBondContact O-N 3.16Å
308	E	58.8	Low	57.2	Low	61 Å²	61	35.6 Å²	35.6	29%	0.285	19%	0.188	S	C	.	.	H	α-helix	trans	-65.1	-35.6	177.1	-149.6	-168.3	154	0	0	111.4	T304 D305 L310 A311 R312	T304-E308 PolarHBondContact O-N 3.19Å; D305-E308 WeakPolarHBondContact O-CB 3.49Å; D305-E308 PolarHBondContact O-N 2.85Å; E308-L310 PolarHBondContact O-N 2.85Å; E308-A311 PolarHBondContact O-N 2.88Å; E308-R312 WeakPolarHBondContact O-CG 3.44Å; E308-R312 PolarHBondContact O-N 2.88Å; E308-R312 IonicContact OE1-CZ 3.82Å; E308-R312 IonicContact OE1-NE 2.59Å; E308-R312 PolarHBondContact OE1-NE 2.87Å; E308-R312 IonicContact OE1-NH2 2.94Å; E308-R312 PolarHBondContact OE1-NH2 2.89Å; E308-R312 IonicContact OE2-CZ 2.7Å; E308-R312 IonicContact OE2-NH2 3.84Å; E308-R312 PolarHBondContact OE2-NH2 2.99Å
309	A	54.3	Low	56.4	Low	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-52.2	-45.3	172.8	0	0	0	0	0	111.8	T304 D305 G307 A311 R312 E315	T304-A309 WeakPolarHBondContact O-CB 3.34Å; T304-A309 PolarHBondContact O-N 3.33Å; T304-A309 VanDerWaalsContact O-N 3.15Å; D305-A309 HydrophobicContact CB-CB 4.17Å; G307-A309 VanDerWaalsContact C-N 3.26Å; G307-A309 PolarHBondContact O-N 3Å; A309-A311 VanDerWaalsContact C-N 3.29Å; A309-A311 PolarHBondContact O-N 2.82Å; A309-R312 PolarHBondContact O-N 2.89Å; A309-E315 VanDerWaalsContact C-OE2 3.22Å; A309-E315 WeakPolarHBondContact CA-OE1 3.3Å; A309-E315 WeakPolarHBondContact CA-OE2 3.28Å; A309-E315 WeakPolarHBondContact CB-OE2 3.28Å
310	L	53.5	Low	55.7	Low	3 Å²	3	39.2 Å²	39.2	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-69.9	-26	-178.3	-60.9	176.2	0	0	0	112.3	L65 R73 L74 V299 T304 G307 E308 F316	L65-L310 HydrophobicContact CD1-CB 3.98Å; L65-L310 WeakPolarHBondContact CD1-O 3.49Å; R73-L310 HydrophobicContact CB-CD2 3.89Å; R73-L310 WeakPolarHBondContact CD-O 3.28Å; R73-L310 PolarHBondContact NH1-O 2.85Å; L74-L310 HydrophobicContact CD2-CD1 4.33Å; L74-L310 HydrophobicContact CD2-CD2 4.24Å; L74-L310 HydrophobicContact CG-CD1 4.16Å; L74-L310 HydrophobicContact CG-CD2 4.17Å; V299-L310 HydrophobicContact CB-CD1 4.17Å; V299-L310 HydrophobicContact CG1-CD1 4.19Å; V299-L310 HydrophobicContact CG2-CD1 3.48Å; V299-L310 VanDerWaalsContact CG2-CD1 3.48Å; T304-L310 HydrophobicContact CG2-CD1 4.15Å; T304-L310 HydrophobicContact CG2-CD2 4.24Å; T304-L310 HydrophobicContact CG2-CG 4.07Å; G307-L310 PolarHBondContact O-N 2.81Å; G307-L310 VanDerWaalsContact O-N 3.15Å; E308-L310 PolarHBondContact O-N 2.85Å; L310-F316 HydrophobicContact CD2-CE1 4.47Å; L310-F316 HydrophobicContact CD2-CZ 4.01Å
311	A	53.9	Low	55.3	Low	30 Å²	30	39.1 Å²	39.1	25%	0.248	19%	0.193	C	C	.	.	H	α-helix	trans	-78.3	-26.7	178.1	0	0	0	0	0	113.1	R73 G307 E308 A309	R73-A311 PolarHBondContact NH1-O 2.84Å; G307-A311 PolarHBondContact O-N 3.16Å; E308-A311 PolarHBondContact O-N 2.88Å; A309-A311 VanDerWaalsContact C-N 3.29Å; A309-A311 PolarHBondContact O-N 2.82Å
312	R	56.6	Low	54.5	Low	45 Å²	45	41.5 Å²	41.5	17%	0.17	21%	0.205	C	C	.	.			trans	-79.5	128.4	-174	-69.7	168.2	-179.8	177.9	3.4	112	D108 D305 E308 A309 D314 E315 F316	D108-R312 IonicContact OD2-NH1 2.76Å; D305-R312 IonicContact OD2-NH1 3.29Å; D305-R312 IonicContact OD2-NH2 3.95Å; E308-R312 WeakPolarHBondContact O-CG 3.44Å; E308-R312 PolarHBondContact O-N 2.88Å; E308-R312 IonicContact OE1-CZ 3.82Å; E308-R312 IonicContact OE1-NE 2.59Å; E308-R312 PolarHBondContact OE1-NE 2.87Å; E308-R312 IonicContact OE1-NH2 2.94Å; E308-R312 PolarHBondContact OE1-NH2 2.89Å; E308-R312 IonicContact OE2-CZ 2.7Å; E308-R312 IonicContact OE2-NH2 3.84Å; E308-R312 PolarHBondContact OE2-NH2 2.99Å; A309-R312 PolarHBondContact O-N 2.89Å; R312-D314 VanDerWaalsContact C-N 3.31Å; R312-D314 PolarHBondContact O-N 2.91Å; R312-E315 HydrophobicContact CB-CG 3.83Å; R312-E315 VanDerWaalsContact CD-OE1 3.26Å; R312-E315 WeakPolarHBondContact CD-OE1 3.43Å; R312-E315 IonicContact NH1-OE1 3.32Å; R312-E315 PolarHBondContact O-N 3.08Å; R312-F316 WeakPolarHBondContact O-CD2 3.24Å; R312-F316 VanDerWaalsContact O-CE2 3.25Å; R312-F316 WeakPolarHBondContact O-CE2 3.22Å
313	H	50.8	Low	54	Low	149 Å²	149	40.4 Å²	40.4	69%	0.69	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-69.8	-24.8	-179.5	-82.5	-73.4	0	0	0	114	E315	H313-E315 PolarHBondContact O-N 3.1Å
314	D	46.5	Very low	53.5	Low	128 Å²	128	43.5 Å²	43.5	68%	0.684	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-79.2	1.2	-177.2	-60.3	-21.8	0	0	0	112.9	R80 R312	R80-D314 PolarHBondContact NH1-O 2.95Å; R312-D314 VanDerWaalsContact C-N 3.31Å; R312-D314 PolarHBondContact O-N 2.91Å
315	E	45.7	Very low	52.8	Low	6 Å²	6	47.2 Å²	47.2	3%	0.028	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-95.1	-4.7	-179.8	-60.7	-155.6	-168	0	0	113.8	R80 A309 R312 H313	R80-E315 PolarHBondContact NE-O 3.3Å; R80-E315 PolarHBondContact NH1-O 3.36Å; R80-E315 PolarHBondContact NH2-O 2.94Å; A309-E315 VanDerWaalsContact C-OE2 3.22Å; A309-E315 WeakPolarHBondContact CA-OE1 3.3Å; A309-E315 WeakPolarHBondContact CA-OE2 3.28Å; A309-E315 WeakPolarHBondContact CB-OE2 3.28Å; R312-E315 HydrophobicContact CB-CG 3.83Å; R312-E315 VanDerWaalsContact CD-OE1 3.26Å; R312-E315 WeakPolarHBondContact CD-OE1 3.43Å; R312-E315 IonicContact NH1-OE1 3.32Å; R312-E315 PolarHBondContact O-N 3.08Å; H313-E315 PolarHBondContact O-N 3.1Å
316	F	43.7	Very low	52.2	Low	80 Å²	80	49.9 Å²	49.9	35%	0.351	25%	0.247	S	C	.	.			trans	-119.9	0	-178.5	-54.9	-65.5	0	0	0	111.2	R73 M76 R80 L310 R312	R73-F316 HydrophobicContact CB-CD1 4.27Å; R73-F316 HydrophobicContact CB-CE1 3.51Å; R73-F316 HydrophobicContact CB-CE2 4.19Å; R73-F316 HydrophobicContact CB-CZ 3.47Å; R73-F316 VanDerWaalsContact CB-CZ 3.47Å; R73-F316 HydrophobicContact CG-CD1 4.34Å; R73-F316 HydrophobicContact CG-CD2 4.32Å; R73-F316 HydrophobicContact CG-CE1 3.95Å; R73-F316 HydrophobicContact CG-CE2 3.92Å; R73-F316 HydrophobicContact CG-CZ 3.73Å; R73-F316 WeakPolarHBondContact O-CE1 3.4Å; M76-F316 HydrophobicContact CB-CD1 3.7Å; M76-F316 HydrophobicContact CB-CE1 4.33Å; M76-F316 HydrophobicContact CG-CD1 4.4Å; M76-F316 HydrophobicContact SD-CB 3.91Å; M76-F316 HydrophobicContact SD-CD1 3.9Å; M76-F316 HydrophobicContact SD-CG 4.16Å; R80-F316 PolarHBondContact NH2-OXT 3Å; L310-F316 HydrophobicContact CD2-CE1 4.47Å; L310-F316 HydrophobicContact CD2-CZ 4.01Å; R312-F316 WeakPolarHBondContact O-CD2 3.24Å; R312-F316 VanDerWaalsContact O-CE2 3.25Å; R312-F316 WeakPolarHBondContact O-CE2 3.22Å

Retrieved 316 of 316 residues in 1843.3 ms (Link to these results)

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