A0A087XVX6_POEFO Loading...

LIM domain kinase 2

AlphaFold DB , UniProt , Accession A0A087XVX6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 685 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	30.7	Very low	37.3	Very low	43 Å²	43	90.9 Å²	90.9	21%	0.212	46%	0.46	C	S	.	.				0	157.7	0	-54.5	141.7	164.6	0	0	107.1	G109 Y133 V172 L255	M1-G109 PolarHBondContact SD-N 3.48Å; M1-Y133 WeakPolarHBondContact CB-OH 3.32Å; M1-Y133 WeakPolarHBondContact CG-OH 3.26Å; M1-Y133 PolarHBondContact N-OH 3.35Å; M1-Y133 VanDerWaalsContact N-OH 3.11Å; M1-Y133 WeakPolarHBondContact O-CE1 2.97Å; M1-Y133 PolarHBondContact SD-OH 2.84Å; M1-V172 HydrophobicContact CE-CG1 4.35Å; M1-L255 HydrophobicContact CB-CD1 4.37Å; M1-L255 HydrophobicContact CE-CD2 4.29Å; M1-L255 HydrophobicContact CG-CD1 3.72Å; M1-L255 HydrophobicContact CG-CD2 3.64Å; M1-L255 HydrophobicContact CG-CG 4.37Å
2	T	28.1	Very low	38.7	Very low	53 Å²	53	85.3 Å²	85.3	33%	0.325	43%	0.434	S	S	.	.			trans	-77.9	123	155.4	43.5	0	0	0	0	106	P4 L174	T2-P4 WeakPolarHBondContact O-CD 3.37Å; T2-P4 VanDerWaalsContact O-N 3.16Å; T2-L174 HydrophobicContact CG2-CD2 4.3Å
3	A	28.3	Very low	39.3	Very low	7 Å²	7	85.8 Å²	85.8	6%	0.058	44%	0.438	C	S	.	.			trans	-67.8	110.5	172.4	0	0	0	0	0	107.1	L5 M106	A3-L5 PolarHBondContact O-N 2.95Å; A3-M106 HydrophobicContact CB-CB 4.45Å; A3-M106 HydrophobicContact CB-CE 3.58Å; A3-M106 HydrophobicContact CB-SD 3.62Å
4	P	30.1	Very low	40.1	Very low	74 Å²	74	80.7 Å²	80.7	48%	0.481	42%	0.417	S	S	.	.			trans	-69.7	123.2	170.6	3.5	13.8	0	0	0	106	T2 L6	T2-P4 WeakPolarHBondContact O-CD 3.37Å; T2-P4 VanDerWaalsContact O-N 3.16Å; P4-L6 PolarHBondContact O-N 2.89Å
5	L	35.8	Very low	40.1	Very low	94 Å²	94	81.1 Å²	81.1	49%	0.492	44%	0.437	S	S	.	.			trans	-60.8	93.9	158.8	-79.8	163.4	0	0	0	107.1	A3 Q7 P104	A3-L5 PolarHBondContact O-N 2.95Å; L5-Q7 PolarHBondContact O-N 3.4Å; L5-P104 HydrophobicContact CD2-CB 3.22Å; L5-P104 HydrophobicContact CD2-CG 4.25Å
6	L	35.9	Very low	40.6	Very low	77 Å²	77	84 Å²	84	40%	0.403	45%	0.447	S	S	.	.			trans	-67	101.8	166.7	-82.7	159	0	0	0	107	P4 N8 V107	P4-L6 PolarHBondContact O-N 2.89Å; L6-N8 PolarHBondContact O-N 2.82Å; L6-V107 HydrophobicContact CD1-CG2 4.44Å
7	Q	38.3	Very low	41.4	Very low	193 Å²	193	81.4 Å²	81.4	90%	0.902	43%	0.433	S	S	*	.			trans	-68	87.5	159.7	-86.3	178.6	-19.4	0	0	107.2	L5 E9	L5-Q7 PolarHBondContact O-N 3.4Å; Q7-E9 PolarHBondContact O-N 3.07Å
8	N	38.8	Very low	41.9	Very low	90 Å²	90	80.1 Å²	80.1	48%	0.481	43%	0.431	S	S	.	.			trans	-74.2	108.1	171.3	-87.7	-0.8	0	0	0	109.7	L6	L6-N8 PolarHBondContact O-N 2.82Å
9	E	51	Low	42.6	Very low	107 Å²	107	80.6 Å²	80.6	50%	0.5	44%	0.437	S	S	.	.	S	Bend	trans	73.4	144.5	146.9	-56.4	178.7	147.5	0	0	117.8	Q7 L11 K76 Y86	Q7-E9 PolarHBondContact O-N 3.07Å; E9-L11 PolarHBondContact O-N 2.99Å; E9-K76 VanDerWaalsContact CD-NZ 3.33Å; E9-K76 IonicContact OE1-NZ 3.04Å; E9-K76 PolarHBondContact OE1-NZ 3.07Å; E9-K76 IonicContact OE2-NZ 2.88Å; E9-K76 PolarHBondContact OE2-NZ 2.85Å; E9-Y86 PolarHBondContact OE2-OH 2.91Å
10	K	45.7	Very low	42.9	Very low	184 Å²	184	79.6 Å²	79.6	80%	0.8	43%	0.434	S	S	*	.			trans	-61.1	98.2	-167	-77.5	-179.4	175.6	179.4	0	112.1
11	L	47.3	Very low	42.8	Very low	78 Å²	78	81.5 Å²	81.5	41%	0.408	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	118.3	158	-179.5	71.4	0	0	0	108.3	E9 W72 Y74	E9-L11 PolarHBondContact O-N 2.99Å; L11-W72 HydrophobicContact CD1-CE3 3.8Å; L11-W72 HydrophobicContact CD1-CZ3 4.3Å; L11-W72 HydrophobicContact CD2-CE3 3.81Å; L11-W72 HydrophobicContact CD2-CH2 4.06Å; L11-W72 HydrophobicContact CD2-CZ3 3.44Å; L11-W72 VanDerWaalsContact CD2-CZ3 3.44Å; L11-W72 HydrophobicContact CG-CE3 4.22Å; L11-W72 HydrophobicContact CG-CZ3 4.34Å; L11-Y74 HydrophobicContact CD1-CE1 4.12Å; L11-Y74 HydrophobicContact CD1-CE2 4.17Å
12	V	54.4	Low	43.3	Very low	24 Å²	24	82.8 Å²	82.8	15%	0.145	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.9	176	-175.4	0	0	0	0	108.7	L51 Y73	V12-L51 HydrophobicContact CG1-CD1 3.78Å; V12-L51 HydrophobicContact CG1-CD2 4.44Å; V12-L51 HydrophobicContact CG1-CG 4.27Å; V12-Y73 HydrophobicContact CB-CE1 4.08Å; V12-Y73 HydrophobicContact CB-CE2 4.38Å; V12-Y73 HydrophobicContact CG1-CE1 4.04Å
13	D	46.1	Very low	43.8	Very low	92 Å²	92	86.4 Å²	86.4	49%	0.492	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	126	177.2	-171.1	6.6	0	0	0	110.5	A15 W72	D13-A15 PolarHBondContact O-N 3.4Å; D13-A15 PolarHBondContact OD1-N 3.26Å; D13-W72 PolarHBondContact OD1-NE1 3.32Å
14	G	51.2	Low	44.1	Very low	14 Å²	14	95.1 Å²	95.1	14%	0.144	52%	0.518	C	S	.	.	G	3₁₀ helix	trans	-78.2	8.6	-178.8	0	0	0	0	0	115.4	Q16 I17 N71	G14-Q16 PolarHBondContact O-N 3.3Å; G14-I17 WeakPolarHBondContact O-CB 3.49Å; G14-I17 WeakPolarHBondContact O-CG1 3.31Å; G14-I17 PolarHBondContact O-N 3.17Å; G14-N71 WeakPolarHBondContact CA-O 3.24Å; G14-N71 PolarHBondContact N-O 3.17Å
15	A	40.3	Very low	44	Very low	86 Å²	86	97.1 Å²	97.1	71%	0.711	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-60.6	-4.9	176.1	0	0	0	0	0	114.5	D13	D13-A15 PolarHBondContact O-N 3.4Å; D13-A15 PolarHBondContact OD1-N 3.26Å
16	Q	48.1	Very low	44.2	Very low	128 Å²	128	101.6 Å²	101.6	60%	0.598	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-111.9	10.3	175.1	-62	-169.7	-6	0	0	114.1	G14 S18	G14-Q16 PolarHBondContact O-N 3.3Å; Q16-S18 PolarHBondContact O-N 2.81Å
17	I	54.6	Low	44.2	Very low	39 Å²	39	106.9 Å²	106.9	20%	0.2	58%	0.577	C	S	.	*			trans	-76.2	113.5	175.2	-59.6	171.9	0	0	0	108.3	G14 M48 V50 F60	G14-I17 WeakPolarHBondContact O-CB 3.49Å; G14-I17 WeakPolarHBondContact O-CG1 3.31Å; G14-I17 PolarHBondContact O-N 3.17Å; I17-M48 HydrophobicContact CG2-CE 3.27Å; I17-V50 HydrophobicContact CG1-CG1 4.32Å; I17-V50 HydrophobicContact CG1-CG2 4.23Å; I17-F60 HydrophobicContact CD1-CE1 4.35Å
18	S	50.6	Low	44.1	Very low	58 Å²	58	106.6 Å²	106.6	41%	0.406	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.3	129.8	177.6	59.4	0	0	0	0	111.3	Q16 K49	Q16-S18 PolarHBondContact O-N 2.81Å; S18-K49 PolarHBondContact N-O 3.21Å; S18-K49 PolarHBondContact O-N 2.97Å
19	T	54.4	Low	44.3	Very low	90 Å²	90	108 Å²	108	55%	0.552	59%	0.589	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.2	113.6	170.2	-45.3	0	0	0	0	107.5	M48	T19-M48 HydrophobicContact CG2-SD 4.09Å; T19-M48 PolarHBondContact OG1-SD 3.32Å
20	T	48.9	Very low	44.3	Very low	61 Å²	61	110.5 Å²	110.5	37%	0.374	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.1	123.6	178.1	24.2	0	0	0	0	110.1
21	L	40	Very low	44.6	Very low	119 Å²	119	106.5 Å²	106.5	62%	0.623	60%	0.597	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.2	115.9	167.7	-107.3	131.9	0	0	0	108	V23 F46	L21-V23 PolarHBondContact O-N 3.22Å; L21-F46 HydrophobicContact CD1-CE1 3.77Å; L21-F46 HydrophobicContact CD2-CE1 3.88Å; L21-F46 HydrophobicContact CD2-CZ 4.03Å; L21-F46 HydrophobicContact CG-CD1 4.16Å; L21-F46 HydrophobicContact CG-CE1 3.58Å; L21-F46 HydrophobicContact CG-CZ 4.25Å
22	S	42.1	Very low	45	Very low	71 Å²	71	106.6 Å²	106.6	50%	0.497	60%	0.598	S	S	.	*			trans	-81.4	107.7	170	38.8	0	0	0	0	108.6	S45	S22-S45 PolarHBondContact OG-O 2.92Å
23	V	37.1	Very low	45.8	Very low	129 Å²	129	106.9 Å²	106.9	78%	0.782	60%	0.6	S	S	*	*			trans	-95.4	105.1	167.4	-168.4	0	0	0	0	105.8	L21 S25	L21-V23 PolarHBondContact O-N 3.22Å; V23-S25 PolarHBondContact O-N 3.08Å
24	E	35.8	Very low	47.4	Very low	189 Å²	189	108.9 Å²	108.9	88%	0.883	60%	0.602	S	S	*	*			trans	-65.5	123.4	-176.7	-72.2	-178.2	157.6	0	0	111.5
25	S	28	Very low	48.7	Very low	117 Å²	117	108.3 Å²	108.3	82%	0.818	60%	0.595	S	S	*	*			trans	-128.6	133.1	146.5	53.7	0	0	0	0	107.3	V23	V23-S25 PolarHBondContact O-N 3.08Å
26	M	40.3	Very low	50.3	Low	187 Å²	187	106.7 Å²	106.7	92%	0.921	58%	0.583	S	S	*	*			trans	-61.2	132.4	-165.1	-65.7	166.6	158.6	0	0	113.5
27	E	34.6	Very low	51.6	Low	188 Å²	188	102.7 Å²	102.7	88%	0.879	58%	0.576	S	S	*	*			trans	165.7	107.8	133	-89.9	173.3	-175.2	0	0	111.6
28	E	36.4	Very low	52.7	Low	188 Å²	188	104.4 Å²	104.4	88%	0.879	59%	0.59	S	S	*	*	S	Bend	trans	60.6	161.4	162.5	-53.9	-157.1	161.2	0	0	122.3
29	P	43.1	Very low	54	Low	118 Å²	118	104.2 Å²	104.2	77%	0.766	60%	0.598	S	S	*	*				-100.8	156.4	-75.8	33.9	-20.6	0	0	0	112.6	S31	P29-S31 PolarHBondContact O-N 2.97Å
30	E	51	Low	55	Low	161 Å²	161	101.3 Å²	101.3	75%	0.752	59%	0.586	S	S	*	*			trans	-47.2	105.7	-178.3	-67.8	-177.2	-168.1	0	0	114.4	N32 K41	E30-N32 PolarHBondContact O-N 3.34Å; E30-K41 IonicContact OE2-NZ 3.95Å; E30-K41 PolarHBondContact OE2-NZ 2.76Å
31	S	51.3	Low	56.4	Low	100 Å²	100	102.2 Å²	102.2	70%	0.699	58%	0.584	S	S	*	*			trans	-73.2	104.6	155.9	59.5	0	0	0	0	108.1	P29 C33	P29-S31 PolarHBondContact O-N 2.97Å; S31-C33 PolarHBondContact O-N 3.45Å
32	N	57.3	Low	58	Low	80 Å²	80	97.4 Å²	97.4	43%	0.428	56%	0.559	S	S	.	*			trans	-59.4	92.5	172.5	-79.1	-32.9	0	0	0	110.4	E30 Y34 K41	E30-N32 PolarHBondContact O-N 3.34Å; N32-Y34 HydrophobicContact CB-CD2 4.38Å; N32-Y34 HydrophobicContact CB-CE2 3.66Å; N32-Y34 WeakPolarHBondContact O-CD2 3.43Å; N32-K41 WeakPolarHBondContact OD1-CE 3.42Å; N32-K41 PolarHBondContact OD1-NZ 3.16Å
33	C	70.6	Confident	59.2	Low	30 Å²	30	101.7 Å²	101.7	20%	0.203	57%	0.571	C	S	.	*			trans	-77.4	125.2	170	-71.6	0	0	0	0	109.3	S31 I42	S31-C33 PolarHBondContact O-N 3.45Å; C33-I42 HydrophobicContact CB-CB 4.35Å; C33-I42 HydrophobicContact CB-CD1 4.36Å; C33-I42 PolarHBondContact O-N 3.42Å
34	Y	78.8	Confident	60.3	Low	133 Å²	133	100.4 Å²	100.4	52%	0.522	56%	0.56	S	S	.	*	B	Isolated β-bridge	trans	-106.6	143.8	174.1	-66.7	-88.6	0	0	0	110	N32 G40 K41 T54	N32-Y34 HydrophobicContact CB-CD2 4.38Å; N32-Y34 HydrophobicContact CB-CE2 3.66Å; N32-Y34 WeakPolarHBondContact O-CD2 3.43Å; Y34-G40 CarbonylContact C-O 3.54Å; Y34-G40 WeakPolarHBondContact CA-O 3.48Å; Y34-K41 HydrophobicContact CD1-CB 4.3Å; Y34-K41 HydrophobicContact CE1-CB 4.11Å; Y34-T54 PolarHBondContact O-OG1 3.38Å
35	C	78.4	Confident	61.4	Low	2 Å²	2	94.3 Å²	94.3	1%	0.014	54%	0.538	C	S	.	.			trans	-75.7	122.7	177.3	176.9	0	0	0	0	110.6	G37 C38 G39 G40 I42 T54 H56	C35-G37 PolarHBondContact O-N 3.4Å; C35-G37 PolarHBondContact SG-N 3.13Å; C35-G37 VanDerWaalsContact SG-N 3.44Å; C35-C38 VanDerWaalsContact CB-SG 3.58Å; C35-C38 VanDerWaalsContact SG-SG 3.66Å; C35-G39 WeakPolarHBondContact O-CA 3.39Å; C35-G39 PolarHBondContact O-N 3.47Å; C35-G40 PolarHBondContact N-O 3.31Å; C35-I42 HydrophobicContact CB-CD1 4.15Å; C35-I42 HydrophobicContact CB-CG1 3.96Å; C35-T54 CarbonylContact C-O 3.54Å; C35-T54 VanDerWaalsContact CA-O 3.28Å; C35-T54 WeakPolarHBondContact CA-O 3.38Å; C35-H56 WeakPolarHBondContact CB-ND1 3.48Å; C35-H56 PolarHBondContact SG-N 2.81Å; C35-H56 VanDerWaalsContact SG-N 3.35Å; C35-H56 PolarHBondContact SG-ND1 2.83Å
36	A	75.3	Confident	62.8	Low	53 Å²	53	93.5 Å²	93.5	44%	0.438	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.5	178.1	0	0	0	0	0	113.7	D53 T54 W55	A36-D53 HydrophobicContact CB-CB 3.94Å; A36-T54 PolarHBondContact N-O 2.82Å; A36-W55 HydrophobicContact CB-CD2 4.14Å; A36-W55 HydrophobicContact CB-CH2 4.29Å; A36-W55 HydrophobicContact CB-CZ2 3.65Å
37	G	75.1	Confident	64.2	Low	44 Å²	44	86.4 Å²	86.4	45%	0.454	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-42.3	178.4	0	0	0	0	0	114.8	C35 W55	C35-G37 PolarHBondContact O-N 3.4Å; C35-G37 PolarHBondContact SG-N 3.13Å; C35-G37 VanDerWaalsContact SG-N 3.44Å; G37-W55 VanDerWaalsContact N-CZ3 3.34Å
38	C	78.5	Confident	65.7	Low	74 Å²	74	78.3 Å²	78.3	50%	0.5	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-7.5	-174.9	69.8	0	0	0	0	114.6	C35 G40 H56	C35-C38 VanDerWaalsContact CB-SG 3.58Å; C35-C38 VanDerWaalsContact SG-SG 3.66Å; C38-G40 PolarHBondContact O-N 3.14Å; C38-H56 VanDerWaalsContact SG-CE1 3.52Å; C38-H56 PolarHBondContact SG-ND1 3.25Å
39	G	76.2	Confident	66.9	Low	55 Å²	55	73.6 Å²	73.6	57%	0.567	42%	0.423	S	S	*	.			trans	70.8	1.2	-176.8	0	0	0	0	0	115.1	C35	C35-G39 WeakPolarHBondContact O-CA 3.39Å; C35-G39 PolarHBondContact O-N 3.47Å
40	G	77.1	Confident	67.9	Low	29 Å²	29	68.2 Å²	68.2	30%	0.299	39%	0.388	S	S	.	.			trans	-78.7	154	-179.2	0	0	0	0	0	113.5	Y34 C35 C38 I42	Y34-G40 CarbonylContact C-O 3.54Å; Y34-G40 WeakPolarHBondContact CA-O 3.48Å; C35-G40 PolarHBondContact N-O 3.31Å; C38-G40 PolarHBondContact O-N 3.14Å; G40-I42 PolarHBondContact O-N 3.16Å
41	K	77.1	Confident	68.8	Low	80 Å²	80	65 Å²	65	35%	0.348	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-68.2	126.3	173.9	-175.9	173.4	170.5	170.3	0	109.4	E30 N32 Y34 Q43	E30-K41 IonicContact OE2-NZ 3.95Å; E30-K41 PolarHBondContact OE2-NZ 2.76Å; N32-K41 WeakPolarHBondContact OD1-CE 3.42Å; N32-K41 PolarHBondContact OD1-NZ 3.16Å; Y34-K41 HydrophobicContact CD1-CB 4.3Å; Y34-K41 HydrophobicContact CE1-CB 4.11Å; K41-Q43 HydrophobicContact CG-CG 4.34Å; K41-Q43 PolarHBondContact O-N 3.34Å
42	I	74.9	Confident	69.3	Low	17 Å²	17	69.5 Å²	69.5	9%	0.087	39%	0.386	C	S	.	.			trans	-81	110.8	176.9	-57.4	171.7	0	0	0	107.6	C33 C35 G40 Q47	C33-I42 HydrophobicContact CB-CB 4.35Å; C33-I42 HydrophobicContact CB-CD1 4.36Å; C33-I42 PolarHBondContact O-N 3.42Å; C35-I42 HydrophobicContact CB-CD1 4.15Å; C35-I42 HydrophobicContact CB-CG1 3.96Å; G40-I42 PolarHBondContact O-N 3.16Å; I42-Q47 HydrophobicContact CG2-CB 4.22Å
43	Q	65.4	Low	70.1	Confident	162 Å²	162	70 Å²	70	76%	0.757	39%	0.389	S	S	*	.			trans	-108.8	-5.9	174.4	-68.4	-177.3	-32.9	0	0	112.5	K41	K41-Q43 HydrophobicContact CG-CG 4.34Å; K41-Q43 PolarHBondContact O-N 3.34Å
44	D	60.7	Low	70.3	Confident	101 Å²	101	69.6 Å²	69.6	54%	0.54	39%	0.385	S	S	.	.	S	Bend	trans	-72.5	141.8	-177.4	-65	-34	0	0	0	111.5	F46 H56	D44-F46 PolarHBondContact O-N 3.31Å; D44-H56 IonicContact OD2-CD2 3.31Å
45	S	59.3	Low	70.3	Confident	61 Å²	61	64.9 Å²	64.9	43%	0.427	37%	0.367	S	S	.	.	S	Bend	trans	-62.7	-14.1	175.1	54.1	0	0	0	0	113.6	S22	S22-S45 PolarHBondContact OG-O 2.92Å
46	F	57.7	Low	70.3	Confident	100 Å²	100	66.1 Å²	66.1	44%	0.439	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	103.6	179.3	-62.2	-84.8	0	0	0	110.6	L21 D44	L21-F46 HydrophobicContact CD1-CE1 3.77Å; L21-F46 HydrophobicContact CD2-CE1 3.88Å; L21-F46 HydrophobicContact CD2-CZ 4.03Å; L21-F46 HydrophobicContact CG-CD1 4.16Å; L21-F46 HydrophobicContact CG-CE1 3.58Å; L21-F46 HydrophobicContact CG-CZ 4.25Å; D44-F46 PolarHBondContact O-N 3.31Å
47	Q	68.8	Low	70.1	Confident	39 Å²	39	67.9 Å²	67.9	18%	0.182	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142.8	174.9	62.8	-176	-10	0	0	111	I42	I42-Q47 HydrophobicContact CG2-CB 4.22Å
48	M	66	Low	70	Confident	17 Å²	17	69.2 Å²	69.2	8%	0.084	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.3	173.2	-70	-66	-74.1	0	0	109	I17 T19 T54 W55 N57	I17-M48 HydrophobicContact CG2-CE 3.27Å; T19-M48 HydrophobicContact CG2-SD 4.09Å; T19-M48 PolarHBondContact OG1-SD 3.32Å; M48-T54 WeakPolarHBondContact O-CA 3.46Å; M48-W55 HydrophobicContact CB-CB 4.44Å; M48-W55 PolarHBondContact N-O 3Å; M48-W55 VanDerWaalsContact N-O 3.08Å; M48-W55 PolarHBondContact O-N 2.93Å; M48-N57 HydrophobicContact CG-CB 4.2Å
49	K	63	Low	69.8	Low	89 Å²	89	67.5 Å²	67.5	39%	0.387	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.3	170.8	-79.8	-177.2	178.5	-177.8	0	109.5	S18 T54	S18-K49 PolarHBondContact N-O 3.21Å; S18-K49 PolarHBondContact O-N 2.97Å; K49-T54 HydrophobicContact CD-CG2 4.38Å; K49-T54 HydrophobicContact CG-CG2 3.71Å
50	V	63.8	Low	70	Confident	5 Å²	5	65 Å²	65	3%	0.03	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	113	177.4	-173.3	0	0	0	0	107.2	I17 Q52 D53 F60 Y73	I17-V50 HydrophobicContact CG1-CG1 4.32Å; I17-V50 HydrophobicContact CG1-CG2 4.23Å; V50-Q52 PolarHBondContact O-N 3.1Å; V50-Q52 VanDerWaalsContact O-N 3.14Å; V50-D53 PolarHBondContact N-O 2.84Å; V50-D53 PolarHBondContact O-N 2.96Å; V50-F60 HydrophobicContact CB-CE2 4.35Å; V50-F60 HydrophobicContact CB-CZ 4.41Å; V50-F60 HydrophobicContact CG1-CE2 4.21Å; V50-F60 HydrophobicContact CG1-CZ 3.96Å; V50-F60 HydrophobicContact CG2-CD1 4.5Å; V50-F60 HydrophobicContact CG2-CD2 4.26Å; V50-F60 HydrophobicContact CG2-CE1 4.14Å; V50-F60 HydrophobicContact CG2-CE2 3.88Å; V50-F60 HydrophobicContact CG2-CZ 3.82Å; V50-Y73 HydrophobicContact CG1-CE1 3.97Å
51	L	68.9	Low	70.2	Confident	95 Å²	95	67 Å²	67	50%	0.497	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	-113	-170.2	-58.8	173.9	0	0	0	111.8	V12	V12-L51 HydrophobicContact CG1-CD1 3.78Å; V12-L51 HydrophobicContact CG1-CD2 4.44Å; V12-L51 HydrophobicContact CG1-CG 4.27Å
52	Q	63.3	Low	70.5	Confident	194 Å²	194	63.2 Å²	63.2	91%	0.907	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-5.7	179.7	-67	-175.4	-11.1	0	0	113.2	V50	V50-Q52 PolarHBondContact O-N 3.1Å; V50-Q52 VanDerWaalsContact O-N 3.14Å
53	D	73.4	Confident	70.9	Confident	90 Å²	90	65.3 Å²	65.3	48%	0.481	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	146.6	-173.4	-65.2	-41.4	0	0	0	112.1	A36 V50	A36-D53 HydrophobicContact CB-CB 3.94Å; V50-D53 PolarHBondContact N-O 2.84Å; V50-D53 PolarHBondContact O-N 2.96Å
54	T	74.6	Confident	71.7	Confident	22 Å²	22	61.2 Å²	61.2	14%	0.135	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135.7	174	43.7	0	0	0	0	110.6	Y34 C35 A36 M48 K49	Y34-T54 PolarHBondContact O-OG1 3.38Å; C35-T54 CarbonylContact C-O 3.54Å; C35-T54 VanDerWaalsContact CA-O 3.28Å; C35-T54 WeakPolarHBondContact CA-O 3.38Å; A36-T54 PolarHBondContact N-O 2.82Å; M48-T54 WeakPolarHBondContact O-CA 3.46Å; K49-T54 HydrophobicContact CD-CG2 4.38Å; K49-T54 HydrophobicContact CG-CG2 3.71Å
55	W	79.2	Confident	72.7	Confident	34 Å²	34	58.3 Å²	58.3	13%	0.129	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.6	-179	-63.6	74	0	0	0	110.2	A36 G37 M48 C59 F60 L80	A36-W55 HydrophobicContact CB-CD2 4.14Å; A36-W55 HydrophobicContact CB-CH2 4.29Å; A36-W55 HydrophobicContact CB-CZ2 3.65Å; G37-W55 VanDerWaalsContact N-CZ3 3.34Å; M48-W55 HydrophobicContact CB-CB 4.44Å; M48-W55 PolarHBondContact N-O 3Å; M48-W55 VanDerWaalsContact N-O 3.08Å; M48-W55 PolarHBondContact O-N 2.93Å; W55-C59 HydrophobicContact CE3-CB 4.4Å; W55-F60 HydrophobicContact CB-CB 4.3Å; W55-F60 HydrophobicContact CB-CD2 4.43Å; W55-F60 AromaticContact CD2-CD2 3.73Å; W55-F60 HydrophobicContact CD2-CD2 3.73Å; W55-F60 HydrophobicContact CD2-CE2 4.42Å; W55-F60 AromaticContact CE3-CD2 3.92Å; W55-F60 HydrophobicContact CE3-CD2 3.92Å; W55-F60 AromaticContact CG-CD2 3.95Å; W55-F60 HydrophobicContact CG-CD2 3.95Å; W55-F60 HydrophobicContact CZ3-CD2 4.48Å; W55-L80 HydrophobicContact CH2-CD1 3.91Å; W55-L80 HydrophobicContact CH2-CG 4.42Å; W55-L80 HydrophobicContact CZ2-CD1 4.48Å; W55-L80 HydrophobicContact CZ3-CD1 3.9Å
56	H	77.9	Confident	73.7	Confident	28 Å²	28	58.5 Å²	58.5	13%	0.13	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	144.7	160.4	-61.7	119.8	0	0	0	109	C35 C38 D44 A58 C59 F60	C35-H56 WeakPolarHBondContact CB-ND1 3.48Å; C35-H56 PolarHBondContact SG-N 2.81Å; C35-H56 VanDerWaalsContact SG-N 3.35Å; C35-H56 PolarHBondContact SG-ND1 2.83Å; C38-H56 VanDerWaalsContact SG-CE1 3.52Å; C38-H56 PolarHBondContact SG-ND1 3.25Å; D44-H56 IonicContact OD2-CD2 3.31Å; H56-A58 PolarHBondContact O-N 3.02Å; H56-C59 HydrophobicContact CB-CB 4Å; H56-C59 PolarHBondContact O-N 3.08Å; H56-F60 PolarHBondContact O-N 3.32Å
57	N	71.4	Confident	74.6	Confident	89 Å²	89	58.7 Å²	58.7	48%	0.476	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-55.6	-37.9	175	-166.8	21.7	0	0	0	111.8	M48 C59	M48-N57 HydrophobicContact CG-CB 4.2Å; N57-C59 PolarHBondContact O-N 3.48Å
58	A	72.3	Confident	75	Confident	72 Å²	72	61.2 Å²	61.2	60%	0.595	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-76	-16.1	176.9	0	0	0	0	0	114.6	H56 Q61	H56-A58 PolarHBondContact O-N 3.02Å; A58-Q61 PolarHBondContact O-OE1 3Å
59	C	74.9	Confident	75.4	Confident	38 Å²	38	61 Å²	61	26%	0.257	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-92.3	-14.8	-178.9	-67.8	0	0	0	0	113	W55 H56 N57 Q61	W55-C59 HydrophobicContact CE3-CB 4.4Å; H56-C59 HydrophobicContact CB-CB 4Å; H56-C59 PolarHBondContact O-N 3.08Å; N57-C59 PolarHBondContact O-N 3.48Å; C59-Q61 VanDerWaalsContact C-N 3.33Å; C59-Q61 PolarHBondContact O-N 2.87Å; C59-Q61 VanDerWaalsContact O-N 3.14Å
60	F	79.7	Confident	75.3	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.018	35%	0.348	C	S	.	.	S	Bend	trans	-90.8	68.2	-177.7	-161.2	-109.4	0	0	0	111.5	I17 V50 W55 H56 L69 Y73 L80	I17-F60 HydrophobicContact CD1-CE1 4.35Å; V50-F60 HydrophobicContact CB-CE2 4.35Å; V50-F60 HydrophobicContact CB-CZ 4.41Å; V50-F60 HydrophobicContact CG1-CE2 4.21Å; V50-F60 HydrophobicContact CG1-CZ 3.96Å; V50-F60 HydrophobicContact CG2-CD1 4.5Å; V50-F60 HydrophobicContact CG2-CD2 4.26Å; V50-F60 HydrophobicContact CG2-CE1 4.14Å; V50-F60 HydrophobicContact CG2-CE2 3.88Å; V50-F60 HydrophobicContact CG2-CZ 3.82Å; W55-F60 HydrophobicContact CB-CB 4.3Å; W55-F60 HydrophobicContact CB-CD2 4.43Å; W55-F60 AromaticContact CD2-CD2 3.73Å; W55-F60 HydrophobicContact CD2-CD2 3.73Å; W55-F60 HydrophobicContact CD2-CE2 4.42Å; W55-F60 AromaticContact CE3-CD2 3.92Å; W55-F60 HydrophobicContact CE3-CD2 3.92Å; W55-F60 AromaticContact CG-CD2 3.95Å; W55-F60 HydrophobicContact CG-CD2 3.95Å; W55-F60 HydrophobicContact CZ3-CD2 4.48Å; H56-F60 PolarHBondContact O-N 3.32Å; F60-L69 HydrophobicContact CD1-CB 3.9Å; F60-L69 WeakPolarHBondContact CD1-O 3.5Å; F60-L69 HydrophobicContact CE1-CB 3.7Å; F60-L69 WeakPolarHBondContact CE1-O 3.19Å; F60-L69 HydrophobicContact CZ-CB 4.44Å; F60-L69 PolarHBondContact O-N 3.39Å; F60-Y73 HydrophobicContact CE1-CD1 4.42Å; F60-Y73 HydrophobicContact CE2-CE1 4.48Å; F60-Y73 AromaticContact CZ-CD1 3.76Å; F60-Y73 HydrophobicContact CZ-CD1 3.76Å; F60-Y73 AromaticContact CZ-CE1 3.69Å; F60-Y73 HydrophobicContact CZ-CE1 3.69Å; F60-Y73 HydrophobicContact CZ-CG 4.27Å; F60-L80 HydrophobicContact CD2-CD1 3.55Å; F60-L80 HydrophobicContact CE2-CD1 3.51Å; F60-L80 HydrophobicContact CG-CD1 4.44Å; F60-L80 HydrophobicContact CZ-CD1 4.37Å
61	Q	82.9	Confident	75.1	Confident	70 Å²	70	66.6 Å²	66.6	33%	0.327	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-130.4	158.2	-173.2	64.4	-180	25.4	0	0	112.4	A58 C59 S63 S66 D67	A58-Q61 PolarHBondContact O-OE1 3Å; C59-Q61 VanDerWaalsContact C-N 3.33Å; C59-Q61 PolarHBondContact O-N 2.87Å; C59-Q61 VanDerWaalsContact O-N 3.14Å; Q61-S63 PolarHBondContact O-N 2.8Å; Q61-S66 PolarHBondContact OE1-O 3.14Å; Q61-D67 CarbonylContact C-O 3.53Å; Q61-D67 VanDerWaalsContact CA-O 3.27Å; Q61-D67 WeakPolarHBondContact CA-O 3.29Å
62	C	82.1	Confident	74.7	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	38%	0.376	C	S	.	.			trans	-64	129.6	174.1	178.9	0	0	0	0	110.6	V64 C65 S66 D67 L69 C82	C62-V64 PolarHBondContact O-N 3.13Å; C62-C65 WeakPolarHBondContact CB-SG 3.37Å; C62-C65 PolarHBondContact SG-SG 2.96Å; C62-S66 WeakPolarHBondContact O-CA 3.4Å; C62-S66 PolarHBondContact O-N 3.41Å; C62-D67 PolarHBondContact N-O 2.9Å; C62-L69 HydrophobicContact CB-CD2 4.09Å; C62-L69 HydrophobicContact CB-CG 4.47Å; C62-C82 HydrophobicContact CB-CB 4.22Å; C62-C82 PolarHBondContact SG-N 2.7Å
63	S	83.5	Confident	75.2	Confident	62 Å²	62	59.7 Å²	59.7	43%	0.434	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-5.8	-179.1	-53.6	0	0	0	0	114.2	Q61 L80	Q61-S63 PolarHBondContact O-N 2.8Å; S63-L80 VanDerWaalsContact CB-O 3.31Å; S63-L80 WeakPolarHBondContact CB-O 3.31Å; S63-L80 PolarHBondContact N-O 3.42Å; S63-L80 PolarHBondContact OG-N 3.31Å; S63-L80 PolarHBondContact OG-O 2.67Å
64	V	82.1	Confident	75.2	Confident	75 Å²	75	56.5 Å²	56.5	46%	0.455	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-54.6	-179.3	-178.2	0	0	0	0	111.3	C62 Y81 H85	C62-V64 PolarHBondContact O-N 3.13Å; V64-Y81 HydrophobicContact CG2-CD1 3.8Å; V64-Y81 HydrophobicContact CG2-CE1 3.77Å; V64-H85 HydrophobicContact CB-CB 3.92Å; V64-H85 HydrophobicContact CG1-CB 4.16Å; V64-H85 HydrophobicContact CG2-CB 4.01Å
65	C	81.9	Confident	75.2	Confident	40 Å²	40	60.5 Å²	60.5	27%	0.27	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-9.4	179.7	52.9	0	0	0	0	114.9	C62 D67 H85	C62-C65 WeakPolarHBondContact CB-SG 3.37Å; C62-C65 PolarHBondContact SG-SG 2.96Å; C65-D67 PolarHBondContact O-N 3Å; C65-D67 VanDerWaalsContact O-N 3.14Å; C65-D67 PolarHBondContact SG-OD2 3.11Å; C65-H85 VanDerWaalsContact CB-CE1 3.43Å; C65-H85 WeakPolarHBondContact CB-CE1 3.48Å; C65-H85 VanDerWaalsContact SG-CE1 3.51Å
66	S	79.6	Confident	74.7	Confident	66 Å²	66	61.1 Å²	61.1	46%	0.462	34%	0.337	S	S	.	.			trans	58.6	15.9	-172.7	-48	0	0	0	0	114.5	Q61 C62	Q61-S66 PolarHBondContact OE1-O 3.14Å; C62-S66 WeakPolarHBondContact O-CA 3.4Å; C62-S66 PolarHBondContact O-N 3.41Å
67	D	77.8	Confident	74.5	Confident	104 Å²	104	66.7 Å²	66.7	56%	0.556	37%	0.368	S	S	*	.			trans	-72.9	139.4	171.8	-66.3	-37.3	0	0	0	110.5	Q61 C62 C65 L69	Q61-D67 CarbonylContact C-O 3.53Å; Q61-D67 VanDerWaalsContact CA-O 3.27Å; Q61-D67 WeakPolarHBondContact CA-O 3.29Å; C62-D67 PolarHBondContact N-O 2.9Å; C65-D67 PolarHBondContact O-N 3Å; C65-D67 VanDerWaalsContact O-N 3.14Å; C65-D67 PolarHBondContact SG-OD2 3.11Å; D67-L69 PolarHBondContact O-N 2.91Å
68	N	77.4	Confident	74.4	Confident	92 Å²	92	65.3 Å²	65.3	49%	0.492	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-61.3	131.4	175.7	-68.7	-22.3	0	0	0	111.2
69	L	74.6	Confident	74.5	Confident	12 Å²	12	67.4 Å²	67.4	6%	0.063	37%	0.37	C	S	.	.			trans	-90.9	111.2	-179.4	-63.3	167.7	0	0	0	108.9	F60 C62 D67 L80 C82	F60-L69 HydrophobicContact CD1-CB 3.9Å; F60-L69 WeakPolarHBondContact CD1-O 3.5Å; F60-L69 HydrophobicContact CE1-CB 3.7Å; F60-L69 WeakPolarHBondContact CE1-O 3.19Å; F60-L69 HydrophobicContact CZ-CB 4.44Å; F60-L69 PolarHBondContact O-N 3.39Å; C62-L69 HydrophobicContact CB-CD2 4.09Å; C62-L69 HydrophobicContact CB-CG 4.47Å; D67-L69 PolarHBondContact O-N 2.91Å; L69-L80 HydrophobicContact CD1-CB 3.51Å; L69-L80 HydrophobicContact CD1-CD1 4.07Å; L69-L80 HydrophobicContact CD1-CG 4.39Å; L69-C82 HydrophobicContact CD2-CB 3.94Å
70	T	60.3	Low	74.7	Confident	96 Å²	96	66 Å²	66	59%	0.589	36%	0.36	S	S	*	.			trans	-110.6	-22.3	-172.3	51.2	0	0	0	0	114.6
71	N	58.7	Low	74.6	Confident	115 Å²	115	66.2 Å²	66.2	62%	0.615	36%	0.361	S	S	*	.	S	Bend	trans	-125	-77.3	-175	-69.9	-29.6	0	0	0	111.3	G14	G14-N71 WeakPolarHBondContact CA-O 3.24Å; G14-N71 PolarHBondContact N-O 3.17Å
72	W	60.9	Low	74.3	Confident	135 Å²	135	64.2 Å²	64.2	51%	0.511	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.3	-171.4	-72.4	25.2	0	0	0	109.2	L11 D13	L11-W72 HydrophobicContact CD1-CE3 3.8Å; L11-W72 HydrophobicContact CD1-CZ3 4.3Å; L11-W72 HydrophobicContact CD2-CE3 3.81Å; L11-W72 HydrophobicContact CD2-CH2 4.06Å; L11-W72 HydrophobicContact CD2-CZ3 3.44Å; L11-W72 VanDerWaalsContact CD2-CZ3 3.44Å; L11-W72 HydrophobicContact CG-CE3 4.22Å; L11-W72 HydrophobicContact CG-CZ3 4.34Å; D13-W72 PolarHBondContact OD1-NE1 3.32Å
73	Y	74.1	Confident	73.8	Confident	10 Å²	10	69.3 Å²	69.3	4%	0.039	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	157.9	-179.7	70.1	-86.3	0	0	0	111.2	V12 V50 F60 E75 L80	V12-Y73 HydrophobicContact CB-CE1 4.08Å; V12-Y73 HydrophobicContact CB-CE2 4.38Å; V12-Y73 HydrophobicContact CG1-CE1 4.04Å; V50-Y73 HydrophobicContact CG1-CE1 3.97Å; F60-Y73 HydrophobicContact CE1-CD1 4.42Å; F60-Y73 HydrophobicContact CE2-CE1 4.48Å; F60-Y73 AromaticContact CZ-CD1 3.76Å; F60-Y73 HydrophobicContact CZ-CD1 3.76Å; F60-Y73 AromaticContact CZ-CE1 3.69Å; F60-Y73 HydrophobicContact CZ-CE1 3.69Å; F60-Y73 HydrophobicContact CZ-CG 4.27Å; Y73-E75 HydrophobicContact CE2-CB 4.29Å; Y73-L80 HydrophobicContact CD2-CD2 3.58Å; Y73-L80 HydrophobicContact CE2-CD2 3.58Å
74	Y	72.8	Confident	73.4	Confident	22 Å²	22	72.7 Å²	72.7	9%	0.086	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.4	174	-68.4	-98.5	0	0	0	108.6	L11 L80 Y81 Q83 Y86 W87	L11-Y74 HydrophobicContact CD1-CE1 4.12Å; L11-Y74 HydrophobicContact CD1-CE2 4.17Å; Y74-L80 CarbonylContact O-C 3.47Å; Y74-L80 WeakPolarHBondContact O-CA 3.42Å; Y74-Y81 PolarHBondContact N-O 3.32Å; Y74-Y81 PolarHBondContact O-N 3.37Å; Y74-Q83 HydrophobicContact CD2-CB 4.47Å; Y74-Q83 HydrophobicContact CE2-CB 3.86Å; Y74-Q83 HydrophobicContact CE2-CG 3.95Å; Y74-Y86 AromaticContact CD1-CD1 3.58Å; Y74-Y86 HydrophobicContact CD1-CD1 3.58Å; Y74-Y86 HydrophobicContact CD1-CD2 4.26Å; Y74-Y86 AromaticContact CD1-CE1 3.69Å; Y74-Y86 HydrophobicContact CD1-CE1 3.69Å; Y74-Y86 HydrophobicContact CD1-CE2 4.35Å; Y74-Y86 AromaticContact CD1-CG 3.87Å; Y74-Y86 HydrophobicContact CD1-CG 3.87Å; Y74-Y86 HydrophobicContact CD2-CD1 4.44Å; Y74-Y86 HydrophobicContact CD2-CG 4.2Å; Y74-Y86 HydrophobicContact CE1-CD1 4.01Å; Y74-Y86 HydrophobicContact CE1-CE1 4.17Å; Y74-Y86 AromaticContact CG-CD1 3.81Å; Y74-Y86 HydrophobicContact CG-CD1 3.81Å; Y74-Y86 AromaticContact CG-CD2 3.96Å; Y74-Y86 HydrophobicContact CG-CD2 3.96Å; Y74-Y86 HydrophobicContact CG-CE1 4.3Å; Y74-Y86 HydrophobicContact CG-CE2 4.42Å; Y74-Y86 AromaticContact CG-CG 3.61Å; Y74-Y86 HydrophobicContact CG-CG 3.61Å; Y74-W87 HydrophobicContact CE1-CZ2 4.16Å; Y74-W87 AromaticContact CZ-NE1 3.83Å; Y74-W87 PolarHBondContact OH-NE1 2.87Å
75	E	74.4	Confident	73.1	Confident	106 Å²	106	70.8 Å²	70.8	50%	0.495	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.8	172.8	-170.2	-167.6	153.7	0	0	109.3	Y73 K79 L80	Y73-E75 HydrophobicContact CE2-CB 4.29Å; E75-K79 WeakPolarHBondContact CA-O 3.45Å; E75-L80 HydrophobicContact CB-CD2 4.3Å; E75-L80 HydrophobicContact CG-CD2 4.22Å
76	K	69.8	Low	72.7	Confident	47 Å²	47	69.2 Å²	69.2	20%	0.204	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	127	171.7	-167	162.1	-165.4	151.1	0	109.3	E9 G78 K79 Y81 Y86 F90	E9-K76 VanDerWaalsContact CD-NZ 3.33Å; E9-K76 IonicContact OE1-NZ 3.04Å; E9-K76 PolarHBondContact OE1-NZ 3.07Å; E9-K76 IonicContact OE2-NZ 2.88Å; E9-K76 PolarHBondContact OE2-NZ 2.85Å; K76-G78 VanDerWaalsContact C-N 3.29Å; K76-G78 PolarHBondContact O-N 2.84Å; K76-K79 PolarHBondContact N-O 3.09Å; K76-K79 PolarHBondContact O-N 2.84Å; K76-K79 VanDerWaalsContact O-N 3.1Å; K76-Y81 HydrophobicContact CB-CE2 4.27Å; K76-Y86 HydrophobicContact CB-CE2 3.96Å; K76-Y86 HydrophobicContact CD-CE2 3.83Å; K76-Y86 PolarHBondContact NZ-OH 3.25Å; K76-F90 HydrophobicContact CD-CD1 4.31Å; K76-F90 HydrophobicContact CD-CD2 4.2Å; K76-F90 HydrophobicContact CD-CE1 4.32Å; K76-F90 HydrophobicContact CD-CE2 4.22Å; K76-F90 HydrophobicContact CD-CG 4.24Å; K76-F90 HydrophobicContact CD-CZ 4.27Å
77	D	73.7	Confident	72.2	Confident	146 Å²	146	67.8 Å²	67.8	78%	0.781	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	40.6	-177.6	-51.9	-44.4	0	0	0	113.8	K79	D77-K79 PolarHBondContact O-N 3.44Å
78	G	68.3	Low	71.9	Confident	59 Å²	59	68.7 Å²	68.7	61%	0.608	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	12.3	179.9	0	0	0	0	0	114.8	K76	K76-G78 VanDerWaalsContact C-N 3.29Å; K76-G78 PolarHBondContact O-N 2.84Å
79	K	74.4	Confident	71.5	Confident	116 Å²	116	70.5 Å²	70.5	50%	0.504	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.7	176.3	-68.3	-179.6	-176.7	176.7	0	111	E75 K76 D77 Y81	E75-K79 WeakPolarHBondContact CA-O 3.45Å; K76-K79 PolarHBondContact N-O 3.09Å; K76-K79 PolarHBondContact O-N 2.84Å; K76-K79 VanDerWaalsContact O-N 3.1Å; D77-K79 PolarHBondContact O-N 3.44Å; K79-Y81 HydrophobicContact CB-CE2 3.73Å; K79-Y81 WeakPolarHBondContact O-CD2 3.18Å
80	L	80.4	Confident	71.4	Confident	8 Å²	8	73.2 Å²	73.2	4%	0.042	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	134.2	179.1	-52.4	176.7	0	0	0	110.4	W55 F60 S63 L69 Y73 Y74 E75	W55-L80 HydrophobicContact CH2-CD1 3.91Å; W55-L80 HydrophobicContact CH2-CG 4.42Å; W55-L80 HydrophobicContact CZ2-CD1 4.48Å; W55-L80 HydrophobicContact CZ3-CD1 3.9Å; F60-L80 HydrophobicContact CD2-CD1 3.55Å; F60-L80 HydrophobicContact CE2-CD1 3.51Å; F60-L80 HydrophobicContact CG-CD1 4.44Å; F60-L80 HydrophobicContact CZ-CD1 4.37Å; S63-L80 VanDerWaalsContact CB-O 3.31Å; S63-L80 WeakPolarHBondContact CB-O 3.31Å; S63-L80 PolarHBondContact N-O 3.42Å; S63-L80 PolarHBondContact OG-N 3.31Å; S63-L80 PolarHBondContact OG-O 2.67Å; L69-L80 HydrophobicContact CD1-CB 3.51Å; L69-L80 HydrophobicContact CD1-CD1 4.07Å; L69-L80 HydrophobicContact CD1-CG 4.39Å; Y73-L80 HydrophobicContact CD2-CD2 3.58Å; Y73-L80 HydrophobicContact CE2-CD2 3.58Å; Y74-L80 CarbonylContact O-C 3.47Å; Y74-L80 WeakPolarHBondContact O-CA 3.42Å; E75-L80 HydrophobicContact CB-CD2 4.3Å; E75-L80 HydrophobicContact CG-CD2 4.22Å
81	Y	76.5	Confident	71.7	Confident	10 Å²	10	69.7 Å²	69.7	4%	0.039	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.5	178.5	-62.1	-83.2	0	0	0	110.1	V64 Y74 K76 K79 Y86 F90	V64-Y81 HydrophobicContact CG2-CD1 3.8Å; V64-Y81 HydrophobicContact CG2-CE1 3.77Å; Y74-Y81 PolarHBondContact N-O 3.32Å; Y74-Y81 PolarHBondContact O-N 3.37Å; K76-Y81 HydrophobicContact CB-CE2 4.27Å; K79-Y81 HydrophobicContact CB-CE2 3.73Å; K79-Y81 WeakPolarHBondContact O-CD2 3.18Å; Y81-Y86 HydrophobicContact CD2-CD2 4.1Å; Y81-Y86 HydrophobicContact CG-CD2 4.25Å; Y81-F90 HydrophobicContact CD2-CE2 4.47Å; Y81-F90 HydrophobicContact CE1-CE2 4.45Å; Y81-F90 HydrophobicContact CE2-CE2 4.07Å
82	C	77.8	Confident	72.3	Confident	27 Å²	27	68.5 Å²	68.5	18%	0.182	33%	0.333	C	S	.	.			trans	-73.6	158.1	163.6	76.6	0	0	0	0	109.8	C62 L69 K84 H85 Y86	C62-C82 HydrophobicContact CB-CB 4.22Å; C62-C82 PolarHBondContact SG-N 2.7Å; L69-C82 HydrophobicContact CD2-CB 3.94Å; C82-K84 VanDerWaalsContact C-N 3.28Å; C82-K84 PolarHBondContact O-N 3.08Å; C82-H85 PolarHBondContact O-N 2.85Å; C82-H85 PolarHBondContact SG-ND1 3.45Å; C82-Y86 WeakPolarHBondContact O-CB 3.44Å; C82-Y86 PolarHBondContact O-N 2.88Å
83	Q	70.8	Confident	72.9	Confident	108 Å²	108	67.6 Å²	67.6	51%	0.505	34%	0.337	S	S	.	.	H	α-helix	trans	-49.7	-47	-177.2	-176.3	177.6	19.2	0	0	112.8	Y74 W87	Y74-Q83 HydrophobicContact CD2-CB 4.47Å; Y74-Q83 HydrophobicContact CE2-CB 3.86Å; Y74-Q83 HydrophobicContact CE2-CG 3.95Å; Q83-W87 PolarHBondContact O-N 2.9Å
84	K	74.5	Confident	73	Confident	133 Å²	133	67.1 Å²	67.1	58%	0.578	34%	0.335	S	S	*	.	H	α-helix	trans	-58.6	-55.1	-179.4	-177.4	-176.8	171.9	-173.3	0	112	C82 Y86 W87 E88	C82-K84 VanDerWaalsContact C-N 3.28Å; C82-K84 PolarHBondContact O-N 3.08Å; K84-Y86 VanDerWaalsContact C-N 3.34Å; K84-Y86 PolarHBondContact O-N 3.47Å; K84-W87 PolarHBondContact O-N 3Å; K84-E88 WeakPolarHBondContact CE-OE1 3.42Å; K84-E88 WeakPolarHBondContact O-CG 3.2Å; K84-E88 PolarHBondContact O-N 3.03Å
85	H	76.1	Confident	73.2	Confident	35 Å²	35	70.3 Å²	70.3	16%	0.162	35%	0.351	C	S	.	.	H	α-helix	trans	-72.7	-26.4	-174.6	-65.5	123.2	0	0	0	113.4	V64 C65 C82 E88 K89	V64-H85 HydrophobicContact CB-CB 3.92Å; V64-H85 HydrophobicContact CG1-CB 4.16Å; V64-H85 HydrophobicContact CG2-CB 4.01Å; C65-H85 VanDerWaalsContact CB-CE1 3.43Å; C65-H85 WeakPolarHBondContact CB-CE1 3.48Å; C65-H85 VanDerWaalsContact SG-CE1 3.51Å; C82-H85 PolarHBondContact O-N 2.85Å; C82-H85 PolarHBondContact SG-ND1 3.45Å; H85-E88 IonicContact CD2-OE2 2.93Å; H85-E88 PolarHBondContact CD2-OE2 2.74Å; H85-K89 WeakPolarHBondContact O-CB 3.43Å; H85-K89 PolarHBondContact O-N 3.21Å
86	Y	75.1	Confident	73.1	Confident	6 Å²	6	67.6 Å²	67.6	2%	0.024	35%	0.351	C	S	.	.	H	α-helix	trans	-61.6	-51.1	172.1	-174.5	-100	0	0	0	110.9	E9 Y74 K76 Y81 C82 K84 K89 F90	E9-Y86 PolarHBondContact OE2-OH 2.91Å; Y74-Y86 AromaticContact CD1-CD1 3.58Å; Y74-Y86 HydrophobicContact CD1-CD1 3.58Å; Y74-Y86 HydrophobicContact CD1-CD2 4.26Å; Y74-Y86 AromaticContact CD1-CE1 3.69Å; Y74-Y86 HydrophobicContact CD1-CE1 3.69Å; Y74-Y86 HydrophobicContact CD1-CE2 4.35Å; Y74-Y86 AromaticContact CD1-CG 3.87Å; Y74-Y86 HydrophobicContact CD1-CG 3.87Å; Y74-Y86 HydrophobicContact CD2-CD1 4.44Å; Y74-Y86 HydrophobicContact CD2-CG 4.2Å; Y74-Y86 HydrophobicContact CE1-CD1 4.01Å; Y74-Y86 HydrophobicContact CE1-CE1 4.17Å; Y74-Y86 AromaticContact CG-CD1 3.81Å; Y74-Y86 HydrophobicContact CG-CD1 3.81Å; Y74-Y86 AromaticContact CG-CD2 3.96Å; Y74-Y86 HydrophobicContact CG-CD2 3.96Å; Y74-Y86 HydrophobicContact CG-CE1 4.3Å; Y74-Y86 HydrophobicContact CG-CE2 4.42Å; Y74-Y86 AromaticContact CG-CG 3.61Å; Y74-Y86 HydrophobicContact CG-CG 3.61Å; K76-Y86 HydrophobicContact CB-CE2 3.96Å; K76-Y86 HydrophobicContact CD-CE2 3.83Å; K76-Y86 PolarHBondContact NZ-OH 3.25Å; Y81-Y86 HydrophobicContact CD2-CD2 4.1Å; Y81-Y86 HydrophobicContact CG-CD2 4.25Å; C82-Y86 WeakPolarHBondContact O-CB 3.44Å; C82-Y86 PolarHBondContact O-N 2.88Å; K84-Y86 VanDerWaalsContact C-N 3.34Å; K84-Y86 PolarHBondContact O-N 3.47Å; Y86-K89 PolarHBondContact O-N 2.82Å; Y86-F90 AromaticContact CD2-CD2 3.77Å; Y86-F90 HydrophobicContact CD2-CD2 3.77Å; Y86-F90 HydrophobicContact CD2-CE2 4.26Å; Y86-F90 AromaticContact CE2-CD2 3.78Å; Y86-F90 HydrophobicContact CE2-CD2 3.78Å; Y86-F90 HydrophobicContact CE2-CE2 4.32Å; Y86-F90 HydrophobicContact CG-CD2 4.36Å; Y86-F90 WeakPolarHBondContact O-CD2 2.97Å; Y86-F90 PolarHBondContact O-N 3.27Å
87	W	68.8	Low	73.6	Confident	36 Å²	36	67.6 Å²	67.6	14%	0.136	36%	0.357	C	S	.	.	H	α-helix	trans	-69.7	-38.3	-176.9	-75.4	128.5	0	0	0	112.7	Y74 Q83 K84 K89 G91 L100 M101 T102	Y74-W87 HydrophobicContact CE1-CZ2 4.16Å; Y74-W87 AromaticContact CZ-NE1 3.83Å; Y74-W87 PolarHBondContact OH-NE1 2.87Å; Q83-W87 PolarHBondContact O-N 2.9Å; K84-W87 PolarHBondContact O-N 3Å; W87-K89 PolarHBondContact O-N 3.35Å; W87-G91 WeakPolarHBondContact O-CA 3.28Å; W87-G91 PolarHBondContact O-N 3.36Å; W87-L100 HydrophobicContact CB-CD2 3.47Å; W87-L100 VanDerWaalsContact CB-CD2 3.47Å; W87-L100 HydrophobicContact CE3-CD2 4.45Å; W87-L100 HydrophobicContact CG-CD2 4.26Å; W87-L100 VanDerWaalsContact O-CD2 3.24Å; W87-L100 WeakPolarHBondContact O-CD2 3.34Å; W87-M101 VanDerWaalsContact CZ3-O 3.28Å; W87-M101 WeakPolarHBondContact CZ3-O 3.32Å; W87-T102 HydrophobicContact CB-CG2 4.18Å; W87-T102 HydrophobicContact CD2-CG2 3.73Å; W87-T102 HydrophobicContact CE3-CG2 4.29Å; W87-T102 HydrophobicContact CG-CG2 3.63Å
88	E	71.4	Confident	73.9	Confident	123 Å²	123	65 Å²	65	58%	0.575	35%	0.35	S	S	*	.	H	α-helix	trans	-59.6	-31.5	172.8	-77.5	175	177.8	0	0	113.2	K84 H85	K84-E88 WeakPolarHBondContact CE-OE1 3.42Å; K84-E88 WeakPolarHBondContact O-CG 3.2Å; K84-E88 PolarHBondContact O-N 3.03Å; H85-E88 IonicContact CD2-OE2 2.93Å; H85-E88 PolarHBondContact CD2-OE2 2.74Å
89	K	68.1	Low	74.2	Confident	131 Å²	131	67.6 Å²	67.6	57%	0.57	35%	0.349	S	S	*	.	H	α-helix	trans	-95.6	-29.7	-174.7	-161.8	171.9	-175.6	-178.4	0	113.9	H85 Y86 W87	H85-K89 WeakPolarHBondContact O-CB 3.43Å; H85-K89 PolarHBondContact O-N 3.21Å; Y86-K89 PolarHBondContact O-N 2.82Å; W87-K89 PolarHBondContact O-N 3.35Å
90	F	72.4	Confident	73.8	Confident	69 Å²	69	65 Å²	65	30%	0.303	34%	0.34	S	S	.	.	H	α-helix	trans	-129.8	-0.9	-170.2	-54.5	-68.9	0	0	0	114.6	K76 Y81 Y86	K76-F90 HydrophobicContact CD-CD1 4.31Å; K76-F90 HydrophobicContact CD-CD2 4.2Å; K76-F90 HydrophobicContact CD-CE1 4.32Å; K76-F90 HydrophobicContact CD-CE2 4.22Å; K76-F90 HydrophobicContact CD-CG 4.24Å; K76-F90 HydrophobicContact CD-CZ 4.27Å; Y81-F90 HydrophobicContact CD2-CE2 4.47Å; Y81-F90 HydrophobicContact CE1-CE2 4.45Å; Y81-F90 HydrophobicContact CE2-CE2 4.07Å; Y86-F90 AromaticContact CD2-CD2 3.77Å; Y86-F90 HydrophobicContact CD2-CD2 3.77Å; Y86-F90 HydrophobicContact CD2-CE2 4.26Å; Y86-F90 AromaticContact CE2-CD2 3.78Å; Y86-F90 HydrophobicContact CE2-CD2 3.78Å; Y86-F90 HydrophobicContact CE2-CE2 4.32Å; Y86-F90 HydrophobicContact CG-CD2 4.36Å; Y86-F90 WeakPolarHBondContact O-CD2 2.97Å; Y86-F90 PolarHBondContact O-N 3.27Å
91	G	66.8	Low	73.3	Confident	21 Å²	21	65 Å²	65	22%	0.216	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-74.1	143.5	-179.2	0	0	0	0	0	113.3	W87	W87-G91 WeakPolarHBondContact O-CA 3.28Å; W87-G91 PolarHBondContact O-N 3.36Å
92	E	70.5	Confident	72.4	Confident	91 Å²	91	68.2 Å²	68.2	43%	0.425	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-94.1	152.5	172.8	-65.4	178.4	157.9	0	0	110.6	M101 K112	E92-M101 WeakPolarHBondContact O-CB 3.39Å; E92-M101 PolarHBondContact O-N 3.41Å; E92-K112 IonicContact OE1-NZ 2.63Å; E92-K112 PolarHBondContact OE1-NZ 3.35Å; E92-K112 WeakPolarHBondContact OE2-CD 3.09Å; E92-K112 WeakPolarHBondContact OE2-CE 3.45Å; E92-K112 IonicContact OE2-NZ 3Å; E92-K112 PolarHBondContact OE2-NZ 3.06Å
93	L	74	Confident	71.6	Confident	115 Å²	115	69 Å²	69	60%	0.602	37%	0.374	S	S	*	.	B	Isolated β-bridge	trans	-92.6	138.2	180	-60.6	172.8	0	0	0	111.6	L100	L93-L100 HydrophobicContact CD2-CB 4.31Å; L93-L100 HydrophobicContact CD2-CD1 4.07Å
94	C	77.3	Confident	70.8	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.007	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-71.3	129.3	174	171.5	0	0	0	0	111	G96 C97 S98 L99 M101 H114	C94-G96 VanDerWaalsContact C-N 3.27Å; C94-G96 PolarHBondContact O-N 3.44Å; C94-G96 PolarHBondContact SG-N 3.36Å; C94-C97 VanDerWaalsContact SG-SG 3.62Å; C94-S98 WeakPolarHBondContact O-CA 3.2Å; C94-S98 PolarHBondContact O-N 3.04Å; C94-L99 WeakPolarHBondContact CB-O 3.38Å; C94-L99 PolarHBondContact N-O 3.46Å; C94-M101 HydrophobicContact CB-CG 3.72Å; C94-M101 HydrophobicContact CB-SD 3.95Å; C94-H114 WeakPolarHBondContact CB-CE1 3.28Å; C94-H114 WeakPolarHBondContact CB-ND1 3.37Å; C94-H114 PolarHBondContact SG-N 2.98Å; C94-H114 PolarHBondContact SG-ND1 3.35Å; C94-H114 VanDerWaalsContact SG-ND1 3.39Å
95	H	77.1	Confident	70.4	Confident	89 Å²	89	61.6 Å²	61.6	41%	0.412	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-29.9	177.3	-171.4	86.3	0	0	0	113.1	H111 K112 Y113	H95-H111 HydrophobicContact CB-CB 4.02Å; H95-H111 AromaticContact CE1-CD2 3.93Å; H95-H111 AromaticContact CE1-CE1 3.52Å; H95-H111 AromaticContact CE1-CG 3.95Å; H95-H111 AromaticContact CE1-ND1 3.7Å; H95-H111 AromaticContact CE1-NE2 3.65Å; H95-H111 AromaticContact CG-CG 3.8Å; H95-H111 AromaticContact CG-ND1 3.93Å; H95-H111 AromaticContact ND1-CE1 3.68Å; H95-H111 AromaticContact ND1-CG 3.73Å; H95-H111 AromaticContact ND1-ND1 3.41Å; H95-H111 PolarHBondContact ND1-ND1 2.63Å; H95-H111 AromaticContact NE2-CD2 3.93Å; H95-H111 AromaticContact NE2-NE2 3.96Å; H95-K112 PolarHBondContact N-O 2.95Å; H95-Y113 HydrophobicContact CB-CD1 4.2Å; H95-Y113 HydrophobicContact CB-CE1 3.82Å; H95-Y113 AromaticContact CD2-CE1 3.68Å; H95-Y113 AromaticContact CD2-CZ 3.76Å; H95-Y113 PolarHBondContact CD2-OH 3.14Å
96	G	72.3	Confident	70	Confident	49 Å²	49	60.4 Å²	60.4	51%	0.505	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-33.3	-177.4	0	0	0	0	0	115	C94	C94-G96 VanDerWaalsContact C-N 3.27Å; C94-G96 PolarHBondContact O-N 3.44Å; C94-G96 PolarHBondContact SG-N 3.36Å
97	C	78.3	Confident	69.7	Low	46 Å²	46	61.5 Å²	61.5	31%	0.311	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-1.4	-176.2	66.8	0	0	0	0	114.6	C94 L99 H114 C117	C94-C97 VanDerWaalsContact SG-SG 3.62Å; C97-L99 HydrophobicContact CB-CG 4.46Å; C97-L99 PolarHBondContact O-N 2.79Å; C97-H114 PolarHBondContact SG-CE1 3.49Å; C97-H114 PolarHBondContact SG-ND1 2.94Å; C97-C117 VanDerWaalsContact SG-SG 3.63Å
98	S	80.3	Confident	69.8	Low	92 Å²	92	59.8 Å²	59.8	64%	0.643	35%	0.345	S	S	*	.			trans	55.9	16.4	-176.5	-55	0	0	0	0	114.7	C94	C94-S98 WeakPolarHBondContact O-CA 3.2Å; C94-S98 PolarHBondContact O-N 3.04Å
99	L	74.5	Confident	69.8	Low	114 Å²	114	55.6 Å²	55.6	60%	0.597	34%	0.335	S	S	*	.			trans	-92.5	153.6	174	-61.9	175.2	0	0	0	110.5	C94 C97	C94-L99 WeakPolarHBondContact CB-O 3.38Å; C94-L99 PolarHBondContact N-O 3.46Å; C97-L99 HydrophobicContact CB-CG 4.46Å; C97-L99 PolarHBondContact O-N 2.79Å
100	L	67.8	Low	69.7	Low	60 Å²	60	58.5 Å²	58.5	31%	0.314	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-65.8	131.1	178.8	-159.8	99.9	0	0	0	111.3	W87 L93 T102	W87-L100 HydrophobicContact CB-CD2 3.47Å; W87-L100 VanDerWaalsContact CB-CD2 3.47Å; W87-L100 HydrophobicContact CE3-CD2 4.45Å; W87-L100 HydrophobicContact CG-CD2 4.26Å; W87-L100 VanDerWaalsContact O-CD2 3.24Å; W87-L100 WeakPolarHBondContact O-CD2 3.34Å; L93-L100 HydrophobicContact CD2-CB 4.31Å; L93-L100 HydrophobicContact CD2-CD1 4.07Å; L100-T102 HydrophobicContact CD2-CG2 4.04Å
101	M	68.3	Low	69.9	Low	9 Å²	9	57.5 Å²	57.5	4%	0.044	35%	0.347	C	S	.	.			trans	-86.4	113.1	-178.9	-60.6	-169.2	59.8	0	0	110.6	W87 E92 C94 A105 K112 Y113 H114	W87-M101 VanDerWaalsContact CZ3-O 3.28Å; W87-M101 WeakPolarHBondContact CZ3-O 3.32Å; E92-M101 WeakPolarHBondContact O-CB 3.39Å; E92-M101 PolarHBondContact O-N 3.41Å; C94-M101 HydrophobicContact CB-CG 3.72Å; C94-M101 HydrophobicContact CB-SD 3.95Å; M101-A105 HydrophobicContact CE-CB 3.24Å; M101-A105 HydrophobicContact SD-CB 4.38Å; M101-K112 HydrophobicContact SD-CB 4.02Å; M101-Y113 VanDerWaalsContact CE-C 3.42Å; M101-Y113 VanDerWaalsContact CE-O 3.23Å; M101-Y113 WeakPolarHBondContact CE-O 3.48Å; M101-H114 WeakPolarHBondContact CA-NE2 3.37Å; M101-H114 WeakPolarHBondContact CG-NE2 3.34Å
102	T	58.8	Low	70.4	Confident	78 Å²	78	59.3 Å²	59.3	48%	0.479	35%	0.349	S	S	.	.			trans	-109.6	30.8	-178.5	62.7	0	0	0	0	112.7	W87 L100	W87-T102 HydrophobicContact CB-CG2 4.18Å; W87-T102 HydrophobicContact CD2-CG2 3.73Å; W87-T102 HydrophobicContact CE3-CG2 4.29Å; W87-T102 HydrophobicContact CG-CG2 3.63Å; L100-T102 HydrophobicContact CD2-CG2 4.04Å
103	G	60.8	Low	70.7	Confident	44 Å²	44	55.6 Å²	55.6	45%	0.454	33%	0.331	S	S	.	.	S	Bend	trans	-173.7	-167.8	-171.4	0	0	0	0	0	113.9
104	P	53.4	Low	70.6	Confident	74 Å²	74	51.1 Å²	51.1	48%	0.481	31%	0.307	S	S	.	.			trans	-55.7	140.1	179.9	15.9	-26.3	0	0	0	112.5	L5 P115	L5-P104 HydrophobicContact CD2-CB 3.22Å; L5-P104 HydrophobicContact CD2-CG 4.25Å; P104-P115 WeakPolarHBondContact O-CD 3.5Å; P104-P115 WeakPolarHBondContact O-CG 3.49Å
105	A	65.9	Low	70.5	Confident	11 Å²	11	53.1 Å²	53.1	9%	0.091	32%	0.32	C	S	.	.			trans	-115.3	138.2	-175.1	0	0	0	0	0	112.1	M101	M101-A105 HydrophobicContact CE-CB 3.24Å; M101-A105 HydrophobicContact SD-CB 4.38Å
106	M	67.6	Low	70.4	Confident	10 Å²	10	54.4 Å²	54.4	5%	0.049	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	132.6	165.5	-65.6	-65.8	-79.5	0	0	109.5	A3 K112 Y113 P115 F118	A3-M106 HydrophobicContact CB-CB 4.45Å; A3-M106 HydrophobicContact CB-CE 3.58Å; A3-M106 HydrophobicContact CB-SD 3.62Å; M106-K112 CarbonylContact O-C 3.58Å; M106-K112 WeakPolarHBondContact O-CA 3.39Å; M106-Y113 PolarHBondContact N-O 3.46Å; M106-Y113 PolarHBondContact O-N 3.41Å; M106-P115 HydrophobicContact CG-CB 4.16Å; M106-P115 HydrophobicContact CG-CG 4.31Å; M106-F118 HydrophobicContact CB-CB 3.88Å; M106-F118 HydrophobicContact CB-CD1 4.29Å; M106-F118 HydrophobicContact CB-CD2 3.71Å; M106-F118 HydrophobicContact CB-CE2 4.31Å; M106-F118 HydrophobicContact CB-CG 3.71Å; M106-F118 HydrophobicContact CE-CD1 3.52Å; M106-F118 HydrophobicContact CE-CE1 3.85Å; M106-F118 HydrophobicContact CE-CG 4.12Å; M106-F118 HydrophobicContact CG-CB 3.9Å; M106-F118 HydrophobicContact CG-CD1 4.4Å; M106-F118 HydrophobicContact CG-CG 4.06Å
107	V	70.1	Confident	70.6	Confident	29 Å²	29	53.5 Å²	53.5	18%	0.176	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.3	-177.7	-171.7	0	0	0	0	110	L6 H111 K112	L6-V107 HydrophobicContact CD1-CG2 4.44Å; V107-H111 WeakPolarHBondContact CA-O 3.4Å; V107-K112 HydrophobicContact CG2-CG 4.31Å
108	A	70.2	Confident	70.9	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	120.6	168.1	0	0	0	0	0	111	E110 H111 Y113 F118 Y133 L135 L141	A108-E110 PolarHBondContact O-N 2.63Å; A108-H111 PolarHBondContact N-O 2.93Å; A108-H111 PolarHBondContact O-N 2.86Å; A108-Y113 HydrophobicContact CB-CE2 4.28Å; A108-F118 HydrophobicContact CB-CE2 3.53Å; A108-F118 HydrophobicContact CB-CZ 3.84Å; A108-Y133 HydrophobicContact CB-CE2 3.81Å; A108-L135 HydrophobicContact CB-CD2 4.48Å; A108-L141 HydrophobicContact CB-CD1 4.2Å
109	G	70.6	Confident	70.9	Confident	35 Å²	35	49.3 Å²	49.3	36%	0.361	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	-126.6	-172.7	0	0	0	0	0	110.2	M1	M1-G109 PolarHBondContact SD-N 3.48Å
110	E	67.6	Low	71.3	Confident	192 Å²	192	43.9 Å²	43.9	90%	0.897	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	2.8	175.9	-61.7	177.3	173.5	0	0	112.6	A108	A108-E110 PolarHBondContact O-N 2.63Å
111	H	75.8	Confident	71.9	Confident	47 Å²	47	44.8 Å²	44.8	22%	0.218	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.7	-172.3	-61.3	-39	0	0	0	112.1	H95 V107 A108 Y113	H95-H111 HydrophobicContact CB-CB 4.02Å; H95-H111 AromaticContact CE1-CD2 3.93Å; H95-H111 AromaticContact CE1-CE1 3.52Å; H95-H111 AromaticContact CE1-CG 3.95Å; H95-H111 AromaticContact CE1-ND1 3.7Å; H95-H111 AromaticContact CE1-NE2 3.65Å; H95-H111 AromaticContact CG-CG 3.8Å; H95-H111 AromaticContact CG-ND1 3.93Å; H95-H111 AromaticContact ND1-CE1 3.68Å; H95-H111 AromaticContact ND1-CG 3.73Å; H95-H111 AromaticContact ND1-ND1 3.41Å; H95-H111 PolarHBondContact ND1-ND1 2.63Å; H95-H111 AromaticContact NE2-CD2 3.93Å; H95-H111 AromaticContact NE2-NE2 3.96Å; V107-H111 WeakPolarHBondContact CA-O 3.4Å; A108-H111 PolarHBondContact N-O 2.93Å; A108-H111 PolarHBondContact O-N 2.86Å; H111-Y113 HydrophobicContact CB-CD2 4.31Å; H111-Y113 HydrophobicContact CB-CE2 3.4Å; H111-Y113 VanDerWaalsContact CB-CE2 3.4Å; H111-Y113 WeakPolarHBondContact CB-OH 3.45Å
112	K	77.2	Confident	72.4	Confident	60 Å²	60	47 Å²	47	26%	0.261	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.1	172.9	-60.4	-177	-175.8	178	0	109.6	E92 H95 M101 M106 V107	E92-K112 IonicContact OE1-NZ 2.63Å; E92-K112 PolarHBondContact OE1-NZ 3.35Å; E92-K112 WeakPolarHBondContact OE2-CD 3.09Å; E92-K112 WeakPolarHBondContact OE2-CE 3.45Å; E92-K112 IonicContact OE2-NZ 3Å; E92-K112 PolarHBondContact OE2-NZ 3.06Å; H95-K112 PolarHBondContact N-O 2.95Å; M101-K112 HydrophobicContact SD-CB 4.02Å; M106-K112 CarbonylContact O-C 3.58Å; M106-K112 WeakPolarHBondContact O-CA 3.39Å; V107-K112 HydrophobicContact CG2-CG 4.31Å
113	Y	76.8	Confident	73.3	Confident	12 Å²	12	45.8 Å²	45.8	5%	0.047	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148.2	-177.7	-58.4	-96.3	0	0	0	109.1	H95 M101 M106 A108 H111 F118	H95-Y113 HydrophobicContact CB-CD1 4.2Å; H95-Y113 HydrophobicContact CB-CE1 3.82Å; H95-Y113 AromaticContact CD2-CE1 3.68Å; H95-Y113 AromaticContact CD2-CZ 3.76Å; H95-Y113 PolarHBondContact CD2-OH 3.14Å; M101-Y113 VanDerWaalsContact CE-C 3.42Å; M101-Y113 VanDerWaalsContact CE-O 3.23Å; M101-Y113 WeakPolarHBondContact CE-O 3.48Å; M106-Y113 PolarHBondContact N-O 3.46Å; M106-Y113 PolarHBondContact O-N 3.41Å; A108-Y113 HydrophobicContact CB-CE2 4.28Å; H111-Y113 HydrophobicContact CB-CD2 4.31Å; H111-Y113 HydrophobicContact CB-CE2 3.4Å; H111-Y113 VanDerWaalsContact CB-CE2 3.4Å; H111-Y113 WeakPolarHBondContact CB-OH 3.45Å; Y113-F118 AromaticContact CD2-CD2 3.76Å; Y113-F118 HydrophobicContact CD2-CD2 3.76Å; Y113-F118 HydrophobicContact CD2-CE2 4Å; Y113-F118 HydrophobicContact CE2-CD2 4.43Å; Y113-F118 HydrophobicContact CE2-CE2 4.35Å; Y113-F118 AromaticContact CG-CD2 3.97Å; Y113-F118 HydrophobicContact CG-CD2 3.97Å
114	H	73.1	Confident	74.2	Confident	21 Å²	21	49.7 Å²	49.7	10%	0.097	27%	0.272	C	S	.	.			trans	-58.1	148.7	159.3	-58.6	117.5	0	0	0	109.8	C94 C97 M101 E116 C117 F118	C94-H114 WeakPolarHBondContact CB-CE1 3.28Å; C94-H114 WeakPolarHBondContact CB-ND1 3.37Å; C94-H114 PolarHBondContact SG-N 2.98Å; C94-H114 PolarHBondContact SG-ND1 3.35Å; C94-H114 VanDerWaalsContact SG-ND1 3.39Å; C97-H114 PolarHBondContact SG-CE1 3.49Å; C97-H114 PolarHBondContact SG-ND1 2.94Å; M101-H114 WeakPolarHBondContact CA-NE2 3.37Å; M101-H114 WeakPolarHBondContact CG-NE2 3.34Å; H114-E116 HydrophobicContact CB-CG 3.95Å; H114-E116 WeakPolarHBondContact CB-OE1 3.43Å; H114-E116 IonicContact CG-OE1 2.63Å; H114-E116 PolarHBondContact O-N 3.14Å; H114-C117 HydrophobicContact CB-CB 4Å; H114-C117 CarbonylContact O-C 3.58Å; H114-C117 WeakPolarHBondContact O-CA 3.24Å; H114-C117 WeakPolarHBondContact O-CB 3.37Å; H114-C117 PolarHBondContact O-N 3.39Å; H114-F118 PolarHBondContact O-N 2.78Å; H114-F118 VanDerWaalsContact O-N 3.13Å
115	P	73.6	Confident	75.4	Confident	43 Å²	43	50.3 Å²	50.3	28%	0.279	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-50.7	-40.8	173.8	-27.4	36.1	0	0	0	112.4	P104 M106 C117 F118 I126	P104-P115 WeakPolarHBondContact O-CD 3.5Å; P104-P115 WeakPolarHBondContact O-CG 3.49Å; M106-P115 HydrophobicContact CG-CB 4.16Å; M106-P115 HydrophobicContact CG-CG 4.31Å; P115-C117 VanDerWaalsContact C-N 3.33Å; P115-C117 PolarHBondContact O-N 3.42Å; P115-F118 PolarHBondContact O-N 3.28Å; P115-I126 WeakPolarHBondContact O-CG2 3.27Å
116	E	76.2	Confident	76	Confident	117 Å²	117	53.5 Å²	53.5	55%	0.547	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-72.8	-20.4	175.8	63.8	-88	-163.7	0	0	114.6	H114 V119	H114-E116 HydrophobicContact CB-CG 3.95Å; H114-E116 WeakPolarHBondContact CB-OE1 3.43Å; H114-E116 IonicContact CG-OE1 2.63Å; H114-E116 PolarHBondContact O-N 3.14Å; E116-V119 WeakPolarHBondContact O-CG1 3.28Å
117	C	75.8	Confident	76.4	Confident	29 Å²	29	53.2 Å²	53.2	20%	0.196	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-88.3	-8.5	175.8	-67.3	0	0	0	0	112.4	C97 H114 P115 V119	C97-C117 VanDerWaalsContact SG-SG 3.63Å; H114-C117 HydrophobicContact CB-CB 4Å; H114-C117 CarbonylContact O-C 3.58Å; H114-C117 WeakPolarHBondContact O-CA 3.24Å; H114-C117 WeakPolarHBondContact O-CB 3.37Å; H114-C117 PolarHBondContact O-N 3.39Å; P115-C117 VanDerWaalsContact C-N 3.33Å; P115-C117 PolarHBondContact O-N 3.42Å; C117-V119 PolarHBondContact O-N 2.97Å
118	F	83.8	Confident	76.4	Confident	1 Å²	1	58.3 Å²	58.3	0%	0.004	31%	0.309	C	S	.	.			trans	-82.6	66.8	-179.6	-156	-110.3	0	0	0	111.3	M106 A108 Y113 H114 P115 I127 Y133 L141	M106-F118 HydrophobicContact CB-CB 3.88Å; M106-F118 HydrophobicContact CB-CD1 4.29Å; M106-F118 HydrophobicContact CB-CD2 3.71Å; M106-F118 HydrophobicContact CB-CE2 4.31Å; M106-F118 HydrophobicContact CB-CG 3.71Å; M106-F118 HydrophobicContact CE-CD1 3.52Å; M106-F118 HydrophobicContact CE-CE1 3.85Å; M106-F118 HydrophobicContact CE-CG 4.12Å; M106-F118 HydrophobicContact CG-CB 3.9Å; M106-F118 HydrophobicContact CG-CD1 4.4Å; M106-F118 HydrophobicContact CG-CG 4.06Å; A108-F118 HydrophobicContact CB-CE2 3.53Å; A108-F118 HydrophobicContact CB-CZ 3.84Å; Y113-F118 AromaticContact CD2-CD2 3.76Å; Y113-F118 HydrophobicContact CD2-CD2 3.76Å; Y113-F118 HydrophobicContact CD2-CE2 4Å; Y113-F118 HydrophobicContact CE2-CD2 4.43Å; Y113-F118 HydrophobicContact CE2-CE2 4.35Å; Y113-F118 AromaticContact CG-CD2 3.97Å; Y113-F118 HydrophobicContact CG-CD2 3.97Å; H114-F118 PolarHBondContact O-N 2.78Å; H114-F118 VanDerWaalsContact O-N 3.13Å; P115-F118 PolarHBondContact O-N 3.28Å; F118-I127 HydrophobicContact CD1-CB 3.73Å; F118-I127 HydrophobicContact CD1-CG2 3.96Å; F118-I127 HydrophobicContact CE1-CB 4.01Å; F118-I127 HydrophobicContact CE1-CG2 3.77Å; F118-I127 PolarHBondContact O-N 2.82Å; F118-Y133 HydrophobicContact CE1-CD1 4.01Å; F118-Y133 HydrophobicContact CE1-CE1 4.24Å; F118-Y133 HydrophobicContact CE1-CG 4.26Å; F118-Y133 HydrophobicContact CZ-CD1 4.07Å; F118-Y133 HydrophobicContact CZ-CD2 4.2Å; F118-Y133 AromaticContact CZ-CE1 3.96Å; F118-Y133 HydrophobicContact CZ-CE1 3.96Å; F118-Y133 HydrophobicContact CZ-CE2 4.12Å; F118-Y133 HydrophobicContact CZ-CG 4.19Å; F118-L141 HydrophobicContact CB-CD2 4.49Å; F118-L141 HydrophobicContact CD1-CD2 3.89Å; F118-L141 HydrophobicContact CD2-CD1 4.45Å; F118-L141 HydrophobicContact CD2-CD2 3.62Å; F118-L141 HydrophobicContact CE1-CD1 4.3Å; F118-L141 HydrophobicContact CE1-CD2 3.93Å; F118-L141 HydrophobicContact CE2-CD1 3.67Å; F118-L141 HydrophobicContact CE2-CD2 3.67Å; F118-L141 HydrophobicContact CE2-CG 4.35Å; F118-L141 HydrophobicContact CG-CD2 3.74Å; F118-L141 HydrophobicContact CZ-CD1 3.58Å; F118-L141 HydrophobicContact CZ-CD2 3.83Å; F118-L141 HydrophobicContact CZ-CG 4.32Å
119	V	81.2	Confident	75.5	Confident	50 Å²	50	62 Å²	62	30%	0.303	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-109.4	142.7	-170.7	-66.4	0	0	0	0	113.2	E116 C117 L121 V125 I126	E116-V119 WeakPolarHBondContact O-CG1 3.28Å; C117-V119 PolarHBondContact O-N 2.97Å; V119-L121 PolarHBondContact O-N 3.26Å; V119-V125 WeakPolarHBondContact CA-O 3.49Å; V119-I126 HydrophobicContact CG1-CB 4.45Å; V119-I126 HydrophobicContact CG1-CG1 3.72Å
120	C	82.1	Confident	74.9	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	35%	0.35	C	S	.	.			trans	-64.9	128.4	170.7	176.3	0	0	0	0	110.9	S122 C123 K124 V125 I127 C143	C120-S122 PolarHBondContact O-N 2.9Å; C120-S122 PolarHBondContact SG-N 3.35Å; C120-S122 VanDerWaalsContact SG-N 3.43Å; C120-C123 VanDerWaalsContact CB-SG 3.54Å; C120-C123 VanDerWaalsContact SG-SG 3.63Å; C120-K124 WeakPolarHBondContact O-CA 3.15Å; C120-K124 PolarHBondContact O-N 3.26Å; C120-V125 PolarHBondContact N-O 3.44Å; C120-I127 HydrophobicContact CB-CD1 4.21Å; C120-C143 HydrophobicContact CB-CB 3.97Å; C120-C143 PolarHBondContact SG-N 3.42Å
121	L	81.6	Confident	74.9	Confident	79 Å²	79	65.2 Å²	65.2	41%	0.414	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-30	-179.9	-166.7	67.8	0	0	0	113	V119 K124 K140 L141 Y142	V119-L121 PolarHBondContact O-N 3.26Å; L121-K124 VanDerWaalsContact O-CE 3.31Å; L121-K124 WeakPolarHBondContact O-CE 3.47Å; L121-K124 PolarHBondContact O-NZ 3.24Å; L121-K140 HydrophobicContact CD2-CB 4.21Å; L121-K140 HydrophobicContact CD2-CD 4.44Å; L121-K140 HydrophobicContact CD2-CG 4.21Å; L121-L141 WeakPolarHBondContact CB-O 3.43Å; L121-L141 PolarHBondContact N-O 2.83Å; L121-Y142 HydrophobicContact CB-CE1 4.26Å
122	S	78.6	Confident	74.5	Confident	55 Å²	55	65.6 Å²	65.6	39%	0.385	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-61.3	-178.1	176.1	0	0	0	0	113.3	C120	C120-S122 PolarHBondContact O-N 2.9Å; C120-S122 PolarHBondContact SG-N 3.35Å; C120-S122 VanDerWaalsContact SG-N 3.43Å
123	C	77.8	Confident	74.5	Confident	53 Å²	53	63.3 Å²	63.3	36%	0.358	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-6.5	-176.1	63.7	0	0	0	0	114.5	C120 V125 C146	C120-C123 VanDerWaalsContact CB-SG 3.54Å; C120-C123 VanDerWaalsContact SG-SG 3.63Å; C123-V125 HydrophobicContact CB-CG2 4.16Å; C123-V125 PolarHBondContact O-N 2.8Å; C123-V125 VanDerWaalsContact O-N 3.1Å; C123-C146 VanDerWaalsContact CB-SG 3.55Å
124	K	80.1	Confident	74.4	Confident	125 Å²	125	62.8 Å²	62.8	54%	0.543	33%	0.327	S	S	.	.			trans	59.5	16.2	-178.1	-51.5	-55.6	-170	-169.7	0	114.8	C120 L121	C120-K124 WeakPolarHBondContact O-CA 3.15Å; C120-K124 PolarHBondContact O-N 3.26Å; L121-K124 VanDerWaalsContact O-CE 3.31Å; L121-K124 WeakPolarHBondContact O-CE 3.47Å; L121-K124 PolarHBondContact O-NZ 3.24Å
125	V	78.6	Confident	74.6	Confident	87 Å²	87	62.4 Å²	62.4	53%	0.527	33%	0.326	S	S	.	.			trans	-79.7	137.9	173.7	178.8	0	0	0	0	109.1	V119 C120 C123	V119-V125 WeakPolarHBondContact CA-O 3.49Å; C120-V125 PolarHBondContact N-O 3.44Å; C123-V125 HydrophobicContact CB-CG2 4.16Å; C123-V125 PolarHBondContact O-N 2.8Å; C123-V125 VanDerWaalsContact O-N 3.1Å
126	I	77.6	Confident	74.6	Confident	79 Å²	79	60.6 Å²	60.6	41%	0.405	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-67.4	131	172.2	-61.7	167.4	0	0	0	107.9	P115 V119	P115-I126 WeakPolarHBondContact O-CG2 3.27Å; V119-I126 HydrophobicContact CG1-CB 4.45Å; V119-I126 HydrophobicContact CG1-CG1 3.72Å
127	I	76.5	Confident	74.3	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.021	31%	0.312	C	S	.	.			trans	-89.2	113.2	176.1	-65	162.1	0	0	0	106	F118 C120 D131 Y133 L141 C143	F118-I127 HydrophobicContact CD1-CB 3.73Å; F118-I127 HydrophobicContact CD1-CG2 3.96Å; F118-I127 HydrophobicContact CE1-CB 4.01Å; F118-I127 HydrophobicContact CE1-CG2 3.77Å; F118-I127 PolarHBondContact O-N 2.82Å; C120-I127 HydrophobicContact CB-CD1 4.21Å; I127-D131 HydrophobicContact CG2-CB 3.59Å; I127-Y133 HydrophobicContact CG2-CD1 4.48Å; I127-L141 HydrophobicContact CD1-CD2 3.69Å; I127-L141 HydrophobicContact CD1-CG 3.88Å; I127-C143 HydrophobicContact CD1-CB 4.07Å; I127-C143 HydrophobicContact CG1-CB 3.93Å
128	E	69.1	Low	73.7	Confident	136 Å²	136	67.1 Å²	67.1	64%	0.636	33%	0.334	S	S	*	.			trans	-80	172.1	-174.9	-65	-175.2	174.2	0	0	111.6	R130 D131	E128-R130 PolarHBondContact O-N 3.34Å; E128-D131 PolarHBondContact N-OD2 3.35Å; E128-D131 WeakPolarHBondContact O-CB 3.14Å; E128-D131 PolarHBondContact O-N 2.66Å; E128-D131 VanDerWaalsContact O-N 3.11Å
129	D	52.3	Low	72.8	Confident	77 Å²	77	69.8 Å²	69.8	41%	0.412	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	131.7	173.7	-176.1	18.5	0	0	0	109.8	D131	D129-D131 VanDerWaalsContact C-N 3.33Å; D129-D131 PolarHBondContact O-N 2.87Å
130	R	57.3	Low	72.7	Confident	214 Å²	214	71 Å²	71	81%	0.808	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	0.3	-174.4	-46.7	176.2	179.4	-144.6	-3.9	117.3	E128	E128-R130 PolarHBondContact O-N 3.34Å
131	D	67.7	Low	72.7	Confident	80 Å²	80	71.6 Å²	71.6	43%	0.428	36%	0.357	S	S	.	.			trans	-72.4	138.8	173.8	-82.1	-24.7	0	0	0	112.2	I127 E128 D129 Y133	I127-D131 HydrophobicContact CG2-CB 3.59Å; E128-D131 PolarHBondContact N-OD2 3.35Å; E128-D131 WeakPolarHBondContact O-CB 3.14Å; E128-D131 PolarHBondContact O-N 2.66Å; E128-D131 VanDerWaalsContact O-N 3.11Å; D129-D131 VanDerWaalsContact C-N 3.33Å; D129-D131 PolarHBondContact O-N 2.87Å; D131-Y133 PolarHBondContact O-N 2.81Å
132	A	66.9	Low	72.5	Confident	55 Å²	55	69.1 Å²	69.1	46%	0.455	34%	0.343	S	S	.	.			trans	-69.4	127.1	174.4	0	0	0	0	0	110.7	G144	A132-G144 PolarHBondContact O-N 3.14Å
133	Y	79.1	Confident	72.5	Confident	13 Å²	13	67.6 Å²	67.6	5%	0.051	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	161.1	175	74.4	-90.2	0	0	0	111.8	M1 A108 F118 I127 D131 L141 Y142	M1-Y133 WeakPolarHBondContact CB-OH 3.32Å; M1-Y133 WeakPolarHBondContact CG-OH 3.26Å; M1-Y133 PolarHBondContact N-OH 3.35Å; M1-Y133 VanDerWaalsContact N-OH 3.11Å; M1-Y133 WeakPolarHBondContact O-CE1 2.97Å; M1-Y133 PolarHBondContact SD-OH 2.84Å; A108-Y133 HydrophobicContact CB-CE2 3.81Å; F118-Y133 HydrophobicContact CE1-CD1 4.01Å; F118-Y133 HydrophobicContact CE1-CE1 4.24Å; F118-Y133 HydrophobicContact CE1-CG 4.26Å; F118-Y133 HydrophobicContact CZ-CD1 4.07Å; F118-Y133 HydrophobicContact CZ-CD2 4.2Å; F118-Y133 AromaticContact CZ-CE1 3.96Å; F118-Y133 HydrophobicContact CZ-CE1 3.96Å; F118-Y133 HydrophobicContact CZ-CE2 4.12Å; F118-Y133 HydrophobicContact CZ-CG 4.19Å; I127-Y133 HydrophobicContact CG2-CD1 4.48Å; D131-Y133 PolarHBondContact O-N 2.81Å; Y133-L141 HydrophobicContact CD2-CD1 3.56Å; Y133-L141 HydrophobicContact CE2-CD1 4Å; Y133-L141 HydrophobicContact CG-CD1 4.29Å; Y133-Y142 CarbonylContact C-O 3.29Å; Y133-Y142 VanDerWaalsContact CA-O 3.27Å; Y133-Y142 WeakPolarHBondContact CA-O 3.43Å; Y133-Y142 WeakPolarHBondContact CB-O 3.21Å
134	A	74.7	Confident	72.1	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.008	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.6	172.2	0	0	0	0	0	109.2	Y142 Y147 T173	A134-Y142 PolarHBondContact N-O 3.09Å; A134-Y142 PolarHBondContact O-N 3.45Å; A134-Y147 HydrophobicContact CB-CD1 3.93Å; A134-Y147 HydrophobicContact CB-CD2 3.46Å; A134-Y147 VanDerWaalsContact CB-CD2 3.46Å; A134-Y147 HydrophobicContact CB-CE1 4.32Å; A134-Y147 HydrophobicContact CB-CE2 3.92Å; A134-Y147 HydrophobicContact CB-CG 3.48Å; A134-Y147 VanDerWaalsContact CB-CG 3.48Å; A134-T173 HydrophobicContact CB-CG2 4.46Å
135	L	77	Confident	71.8	Confident	13 Å²	13	68.2 Å²	68.2	7%	0.068	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	112.1	169.8	-167.2	68.8	0	0	0	107.7	A108 R138 L141	A108-L135 HydrophobicContact CB-CD2 4.48Å; L135-R138 WeakPolarHBondContact CD2-O 3.37Å; L135-L141 HydrophobicContact CD1-CD1 4.03Å
136	V	73.3	Confident	71.6	Confident	4 Å²	4	64.6 Å²	64.6	2%	0.024	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	135.4	-179.6	-177.9	0	0	0	0	108.1	R138 S139 K140 Y142 Y147 P169 T171	V136-R138 PolarHBondContact O-N 3.21Å; V136-R138 VanDerWaalsContact O-N 3.14Å; V136-S139 PolarHBondContact O-N 3.03Å; V136-K140 HydrophobicContact CB-CB 4.37Å; V136-K140 PolarHBondContact N-O 3.04Å; V136-K140 WeakPolarHBondContact O-CB 3.37Å; V136-K140 PolarHBondContact O-N 3.13Å; V136-Y142 HydrophobicContact CB-CD2 4.12Å; V136-Y142 HydrophobicContact CB-CE2 3.99Å; V136-Y142 HydrophobicContact CG2-CD2 3.65Å; V136-Y142 HydrophobicContact CG2-CE2 3.92Å; V136-Y147 HydrophobicContact CG2-CD2 4.09Å; V136-Y147 HydrophobicContact CG2-CE2 4.04Å; V136-P169 HydrophobicContact CG1-CB 4.22Å; V136-P169 HydrophobicContact CG1-CG 4.06Å; V136-T171 HydrophobicContact CG2-CG2 4.26Å
137	E	69.3	Low	71.4	Confident	107 Å²	107	62.1 Å²	62.1	50%	0.5	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	34.4	179.5	-64.7	169.8	-167.9	0	0	113.5	S139 K140 H170	E137-S139 PolarHBondContact O-N 3.39Å; E137-K140 IonicContact OE1-NZ 2.86Å; E137-K140 VanDerWaalsContact OE2-CE 3.28Å; E137-K140 WeakPolarHBondContact OE2-CE 3.5Å; E137-K140 IonicContact OE2-NZ 3.77Å; E137-K140 PolarHBondContact OE2-NZ 2.76Å; E137-H170 PolarHBondContact N-O 3.11Å
138	R	62.8	Low	71	Confident	176 Å²	176	66.3 Å²	66.3	66%	0.664	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	-8	176	-54.8	179.1	175.9	169	-0.8	117.2	L135 V136	L135-R138 WeakPolarHBondContact CD2-O 3.37Å; V136-R138 PolarHBondContact O-N 3.21Å; V136-R138 VanDerWaalsContact O-N 3.14Å
139	S	66.3	Low	70.9	Confident	57 Å²	57	66.2 Å²	66.2	40%	0.399	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.3	-16	-178.1	62.4	0	0	0	0	115.1	V136 E137	V136-S139 PolarHBondContact O-N 3.03Å; E137-S139 PolarHBondContact O-N 3.39Å
140	K	78.1	Confident	71.3	Confident	77 Å²	77	65.7 Å²	65.7	34%	0.335	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	109.6	-176.4	-60.6	174.8	177.9	166.4	0	110.8	L121 V136 E137 Y142	L121-K140 HydrophobicContact CD2-CB 4.21Å; L121-K140 HydrophobicContact CD2-CD 4.44Å; L121-K140 HydrophobicContact CD2-CG 4.21Å; V136-K140 HydrophobicContact CB-CB 4.37Å; V136-K140 PolarHBondContact N-O 3.04Å; V136-K140 WeakPolarHBondContact O-CB 3.37Å; V136-K140 PolarHBondContact O-N 3.13Å; E137-K140 IonicContact OE1-NZ 2.86Å; E137-K140 VanDerWaalsContact OE2-CE 3.28Å; E137-K140 WeakPolarHBondContact OE2-CE 3.5Å; E137-K140 IonicContact OE2-NZ 3.77Å; E137-K140 PolarHBondContact OE2-NZ 2.76Å; K140-Y142 HydrophobicContact CB-CD2 4.41Å; K140-Y142 HydrophobicContact CB-CE2 3.72Å; K140-Y142 WeakPolarHBondContact O-CD2 3.38Å
141	L	81.6	Confident	71.6	Confident	11 Å²	11	57 Å²	57	6%	0.058	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	127.6	-177.4	-160.6	77.7	0	0	0	111.8	A108 F118 L121 I127 Y133 L135	A108-L141 HydrophobicContact CB-CD1 4.2Å; F118-L141 HydrophobicContact CB-CD2 4.49Å; F118-L141 HydrophobicContact CD1-CD2 3.89Å; F118-L141 HydrophobicContact CD2-CD1 4.45Å; F118-L141 HydrophobicContact CD2-CD2 3.62Å; F118-L141 HydrophobicContact CE1-CD1 4.3Å; F118-L141 HydrophobicContact CE1-CD2 3.93Å; F118-L141 HydrophobicContact CE2-CD1 3.67Å; F118-L141 HydrophobicContact CE2-CD2 3.67Å; F118-L141 HydrophobicContact CE2-CG 4.35Å; F118-L141 HydrophobicContact CG-CD2 3.74Å; F118-L141 HydrophobicContact CZ-CD1 3.58Å; F118-L141 HydrophobicContact CZ-CD2 3.83Å; F118-L141 HydrophobicContact CZ-CG 4.32Å; L121-L141 WeakPolarHBondContact CB-O 3.43Å; L121-L141 PolarHBondContact N-O 2.83Å; I127-L141 HydrophobicContact CD1-CD2 3.69Å; I127-L141 HydrophobicContact CD1-CG 3.88Å; Y133-L141 HydrophobicContact CD2-CD1 3.56Å; Y133-L141 HydrophobicContact CE2-CD1 4Å; Y133-L141 HydrophobicContact CG-CD1 4.29Å; L135-L141 HydrophobicContact CD1-CD1 4.03Å
142	Y	77.2	Confident	71.2	Confident	28 Å²	28	54.5 Å²	54.5	11%	0.11	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	138.6	174.5	-66.6	-93.4	0	0	0	111	L121 Y133 A134 V136 K140	L121-Y142 HydrophobicContact CB-CE1 4.26Å; Y133-Y142 CarbonylContact C-O 3.29Å; Y133-Y142 VanDerWaalsContact CA-O 3.27Å; Y133-Y142 WeakPolarHBondContact CA-O 3.43Å; Y133-Y142 WeakPolarHBondContact CB-O 3.21Å; A134-Y142 PolarHBondContact N-O 3.09Å; A134-Y142 PolarHBondContact O-N 3.45Å; V136-Y142 HydrophobicContact CB-CD2 4.12Å; V136-Y142 HydrophobicContact CB-CE2 3.99Å; V136-Y142 HydrophobicContact CG2-CD2 3.65Å; V136-Y142 HydrophobicContact CG2-CE2 3.92Å; K140-Y142 HydrophobicContact CB-CD2 4.41Å; K140-Y142 HydrophobicContact CB-CE2 3.72Å; K140-Y142 WeakPolarHBondContact O-CD2 3.38Å
143	C	79.3	Confident	70.5	Confident	23 Å²	23	54.7 Å²	54.7	16%	0.155	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	156.5	169.8	74	0	0	0	0	110.1	C120 I127 K145 C146 Y147	C120-C143 HydrophobicContact CB-CB 3.97Å; C120-C143 PolarHBondContact SG-N 3.42Å; I127-C143 HydrophobicContact CD1-CB 4.07Å; I127-C143 HydrophobicContact CG1-CB 3.93Å; C143-K145 PolarHBondContact O-N 2.97Å; C143-K145 VanDerWaalsContact O-N 3.09Å; C143-C146 PolarHBondContact O-N 3.36Å; C143-C146 VanDerWaalsContact O-N 3.11Å; C143-C146 PolarHBondContact SG-N 3.28Å; C143-Y147 WeakPolarHBondContact O-CB 3.48Å; C143-Y147 PolarHBondContact O-N 3.15Å
144	G	69.6	Low	69.3	Low	21 Å²	21	57.3 Å²	57.3	22%	0.216	29%	0.285	C	S	.	.	H	α-helix	trans	-55.8	-32.1	-175.1	0	0	0	0	0	114.6	A132 K148	A132-G144 PolarHBondContact O-N 3.14Å; G144-K148 VanDerWaalsContact O-CG 3.25Å; G144-K148 WeakPolarHBondContact O-CG 3.37Å; G144-K148 PolarHBondContact O-N 2.72Å
145	K	74.2	Confident	68.1	Low	169 Å²	169	61 Å²	61	74%	0.735	30%	0.303	S	S	*	.	H	α-helix	trans	-72.4	-47.1	176.6	-66.9	178.8	-177	172	0	112.3	C143 K148 Q149	C143-K145 PolarHBondContact O-N 2.97Å; C143-K145 VanDerWaalsContact O-N 3.09Å; K145-K148 PolarHBondContact O-N 3.36Å; K145-Q149 PolarHBondContact O-N 3.48Å
146	C	73.3	Confident	66.8	Low	11 Å²	11	66.6 Å²	66.6	7%	0.074	33%	0.332	C	S	.	.	H	α-helix	trans	-71.1	-34.2	179	-70.9	0	0	0	0	112.1	C123 C143 K148 Q149 V150	C123-C146 VanDerWaalsContact CB-SG 3.55Å; C143-C146 PolarHBondContact O-N 3.36Å; C143-C146 VanDerWaalsContact O-N 3.11Å; C143-C146 PolarHBondContact SG-N 3.28Å; C146-K148 VanDerWaalsContact C-N 3.3Å; C146-K148 PolarHBondContact O-N 3.42Å; C146-Q149 PolarHBondContact O-N 2.87Å; C146-V150 WeakPolarHBondContact O-CB 3.3Å; C146-V150 WeakPolarHBondContact O-CG2 3.31Å; C146-V150 PolarHBondContact O-N 2.99Å
147	Y	74.4	Confident	65.7	Low	28 Å²	28	74.1 Å²	74.1	11%	0.11	37%	0.368	C	S	.	.	I	π-helix	trans	-58.4	-45.9	170.9	177.5	-111.5	0	0	0	110.7	A134 V136 C143 I151 L152 T171 T173	A134-Y147 HydrophobicContact CB-CD1 3.93Å; A134-Y147 HydrophobicContact CB-CD2 3.46Å; A134-Y147 VanDerWaalsContact CB-CD2 3.46Å; A134-Y147 HydrophobicContact CB-CE1 4.32Å; A134-Y147 HydrophobicContact CB-CE2 3.92Å; A134-Y147 HydrophobicContact CB-CG 3.48Å; A134-Y147 VanDerWaalsContact CB-CG 3.48Å; V136-Y147 HydrophobicContact CG2-CD2 4.09Å; V136-Y147 HydrophobicContact CG2-CE2 4.04Å; C143-Y147 WeakPolarHBondContact O-CB 3.48Å; C143-Y147 PolarHBondContact O-N 3.15Å; Y147-I151 HydrophobicContact CD2-CB 3.94Å; Y147-I151 HydrophobicContact CD2-CG1 4Å; Y147-I151 HydrophobicContact CD2-CG2 4.3Å; Y147-I151 HydrophobicContact CE2-CB 4.02Å; Y147-I151 HydrophobicContact CE2-CG1 4.38Å; Y147-I151 HydrophobicContact CE2-CG2 3.87Å; Y147-I151 WeakPolarHBondContact O-CA 3.37Å; Y147-I151 VanDerWaalsContact O-CB 3.32Å; Y147-I151 WeakPolarHBondContact O-CB 3.5Å; Y147-I151 PolarHBondContact O-N 2.96Å; Y147-I151 VanDerWaalsContact O-N 3.08Å; Y147-L152 HydrophobicContact CD1-CD1 3.76Å; Y147-L152 HydrophobicContact CE1-CD1 3.47Å; Y147-L152 VanDerWaalsContact CE1-CD1 3.47Å; Y147-L152 HydrophobicContact CE1-CG 4.08Å; Y147-L152 PolarHBondContact O-N 3.49Å; Y147-L152 VanDerWaalsContact O-N 3.1Å; Y147-T171 HydrophobicContact CE2-CG2 4.09Å; Y147-T173 HydrophobicContact CE1-CG2 4.35Å
148	K	67.2	Low	64.3	Low	92 Å²	92	77.6 Å²	77.6	40%	0.4	38%	0.381	S	S	.	.	I	π-helix	trans	-60.2	-51.5	174.7	-72.3	174.8	-176.6	-171	0	112.2	G144 K145 C146 L152 T153	G144-K148 VanDerWaalsContact O-CG 3.25Å; G144-K148 WeakPolarHBondContact O-CG 3.37Å; G144-K148 PolarHBondContact O-N 2.72Å; K145-K148 PolarHBondContact O-N 3.36Å; C146-K148 VanDerWaalsContact C-N 3.3Å; C146-K148 PolarHBondContact O-N 3.42Å; K148-L152 HydrophobicContact CG-CD1 3.98Å; K148-L152 CarbonylContact O-C 3.56Å; K148-L152 WeakPolarHBondContact O-CA 3.24Å; K148-L152 VanDerWaalsContact O-CB 3.32Å; K148-L152 WeakPolarHBondContact O-CB 3.39Å; K148-L152 PolarHBondContact O-N 2.8Å; K148-T153 PolarHBondContact O-N 2.84Å; K148-T153 PolarHBondContact O-OG1 2.78Å
149	Q	66.8	Low	63.4	Low	133 Å²	133	80.4 Å²	80.4	62%	0.621	39%	0.392	S	S	*	.	I	π-helix	trans	-76.4	-33.5	-172.7	-72.5	177.3	-11.7	0	0	115.3	K145 C146 T153 P154	K145-Q149 PolarHBondContact O-N 3.48Å; C146-Q149 PolarHBondContact O-N 2.87Å; Q149-T153 WeakPolarHBondContact CA-OG1 3.39Å; Q149-T153 WeakPolarHBondContact O-CB 3.13Å; Q149-P154 WeakPolarHBondContact O-CD 3.41Å
150	V	62.2	Low	62.1	Low	67 Å²	67	82.1 Å²	82.1	41%	0.406	40%	0.403	S	S	.	.	I	π-helix	trans	-101	-28.4	-170.6	-175.9	0	0	0	0	111.7	C146 P154	C146-V150 WeakPolarHBondContact O-CB 3.3Å; C146-V150 WeakPolarHBondContact O-CG2 3.31Å; C146-V150 PolarHBondContact O-N 2.99Å; V150-P154 WeakPolarHBondContact O-CG 3.46Å
151	I	62.4	Low	60.6	Low	30 Å²	30	86.4 Å²	86.4	15%	0.154	42%	0.424	C	S	.	.	I	π-helix	trans	-107.1	-48.1	-179.5	-52.5	-61.3	0	0	0	111	Y147 M155	Y147-I151 HydrophobicContact CD2-CB 3.94Å; Y147-I151 HydrophobicContact CD2-CG1 4Å; Y147-I151 HydrophobicContact CD2-CG2 4.3Å; Y147-I151 HydrophobicContact CE2-CB 4.02Å; Y147-I151 HydrophobicContact CE2-CG1 4.38Å; Y147-I151 HydrophobicContact CE2-CG2 3.87Å; Y147-I151 WeakPolarHBondContact O-CA 3.37Å; Y147-I151 VanDerWaalsContact O-CB 3.32Å; Y147-I151 WeakPolarHBondContact O-CB 3.5Å; Y147-I151 PolarHBondContact O-N 2.96Å; Y147-I151 VanDerWaalsContact O-N 3.08Å; I151-M155 VanDerWaalsContact O-CG 3.25Å; I151-M155 WeakPolarHBondContact O-CG 3.49Å
152	L	58.9	Low	58.8	Low	29 Å²	29	93.3 Å²	93.3	15%	0.152	46%	0.461	C	S	.	.	I	π-helix	trans	-82.5	-42.4	-176.5	-70	158.4	0	0	0	113.9	Y147 K148 M155 L156	Y147-L152 HydrophobicContact CD1-CD1 3.76Å; Y147-L152 HydrophobicContact CE1-CD1 3.47Å; Y147-L152 VanDerWaalsContact CE1-CD1 3.47Å; Y147-L152 HydrophobicContact CE1-CG 4.08Å; Y147-L152 PolarHBondContact O-N 3.49Å; Y147-L152 VanDerWaalsContact O-N 3.1Å; K148-L152 HydrophobicContact CG-CD1 3.98Å; K148-L152 CarbonylContact O-C 3.56Å; K148-L152 WeakPolarHBondContact O-CA 3.24Å; K148-L152 VanDerWaalsContact O-CB 3.32Å; K148-L152 WeakPolarHBondContact O-CB 3.39Å; K148-L152 PolarHBondContact O-N 2.8Å; L152-M155 PolarHBondContact O-N 3.2Å; L152-L156 PolarHBondContact O-N 3.03Å; L152-L156 VanDerWaalsContact O-N 3.16Å
153	T	53.8	Low	57.4	Low	58 Å²	58	96 Å²	96	36%	0.356	48%	0.484	S	S	.	.	H	α-helix	trans	-65.4	-42.8	-174.8	-52	0	0	0	0	114.1	K148 Q149 M155 L156 E157	K148-T153 PolarHBondContact O-N 2.84Å; K148-T153 PolarHBondContact O-OG1 2.78Å; Q149-T153 WeakPolarHBondContact CA-OG1 3.39Å; Q149-T153 WeakPolarHBondContact O-CB 3.13Å; T153-M155 PolarHBondContact O-N 2.84Å; T153-M155 VanDerWaalsContact O-N 3.11Å; T153-L156 PolarHBondContact O-N 2.8Å; T153-E157 PolarHBondContact O-N 3.22Å
154	P	52.7	Low	56	Low	68 Å²	68	98.6 Å²	98.6	44%	0.442	50%	0.496	S	S	.	.	H	α-helix	trans	-66.8	-13	176.4	-18.4	33.3	0	0	0	113.3	Q149 V150	Q149-P154 WeakPolarHBondContact O-CD 3.41Å; V150-P154 WeakPolarHBondContact O-CG 3.46Å
155	M	49.8	Very low	54.9	Low	78 Å²	78	100.7 Å²	100.7	38%	0.384	50%	0.502	S	S	.	.	H	α-helix	trans	-97	-24.4	179.9	-60.7	-167.1	84.4	0	0	113	I151 L152 T153 S167 L168	I151-M155 VanDerWaalsContact O-CG 3.25Å; I151-M155 WeakPolarHBondContact O-CG 3.49Å; L152-M155 PolarHBondContact O-N 3.2Å; T153-M155 PolarHBondContact O-N 2.84Å; T153-M155 VanDerWaalsContact O-N 3.11Å; M155-S167 WeakPolarHBondContact CE-OG 3.48Å; M155-L168 HydrophobicContact SD-CD2 4.44Å
156	L	50.6	Low	53.6	Low	131 Å²	131	97.9 Å²	97.9	69%	0.686	49%	0.487	S	S	*	.	H	α-helix	trans	-78.9	-26.9	174.7	-74.1	163.9	0	0	0	113	L152 T153	L152-L156 PolarHBondContact O-N 3.03Å; L152-L156 VanDerWaalsContact O-N 3.16Å; T153-L156 PolarHBondContact O-N 2.8Å
157	E	48.9	Very low	52.5	Low	163 Å²	163	100.8 Å²	100.8	76%	0.762	51%	0.508	S	S	*	.	S	Bend	trans	-83.7	-8.2	-179.5	-72.6	-177.6	163.2	0	0	114.1	T153	T153-E157 PolarHBondContact O-N 3.22Å
158	K	41.2	Very low	51.6	Low	180 Å²	180	100.4 Å²	100.4	78%	0.783	51%	0.507	S	S	*	.	S	Bend	trans	-98.9	92.4	172.1	-78.5	-176	178.2	177.2	0	111.4
159	R	42.3	Very low	51.1	Low	235 Å²	235	97.7 Å²	97.7	89%	0.887	50%	0.499	S	S	*	.			trans	8.9	135.6	164.3	-72	-179.6	178.8	176.7	-0.5	120.9
160	S	40.3	Very low	50.9	Low	92 Å²	92	92.9 Å²	92.9	64%	0.643	48%	0.476	S	S	*	.			trans	79.4	129.6	158.4	69.4	0	0	0	0	119.3	D162	S160-D162 PolarHBondContact O-N 2.85Å
161	H	46.7	Very low	51.2	Low	168 Å²	168	90 Å²	90	78%	0.778	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-4.5	-159.3	-110.5	-83.7	0	0	0	116.9
162	D	42.5	Very low	51.8	Low	155 Å²	155	89.8 Å²	89.8	83%	0.829	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-4.8	-170.3	-76.5	-26.8	0	0	0	115.5	S160	S160-D162 PolarHBondContact O-N 2.85Å
163	S	47.7	Very low	52.3	Low	85 Å²	85	89.3 Å²	89.3	59%	0.594	46%	0.458	S	S	*	.	S	Bend	trans	-108.1	10.6	-179.8	-54.9	0	0	0	0	114	L165	S163-L165 PolarHBondContact O-N 3.03Å
164	I	49.4	Very low	53.3	Low	78 Å²	78	87.9 Å²	87.9	40%	0.4	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-76.5	-21.9	-162.6	-62.4	178.8	0	0	0	114
165	L	47.9	Very low	54.4	Low	65 Å²	65	85.2 Å²	85.2	34%	0.34	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-90.9	5.5	-173.4	-66.9	172.2	0	0	0	115.2	S163 H220 Y258	S163-L165 PolarHBondContact O-N 3.03Å; L165-H220 HydrophobicContact CD2-CB 4.39Å; L165-Y258 HydrophobicContact CD2-CE2 4.45Å; L165-Y258 PolarHBondContact O-OH 3.46Å
166	Y	46.8	Very low	55.4	Low	110 Å²	110	84.6 Å²	84.6	43%	0.431	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-114.4	0.2	-173.5	-59.9	-69	0	0	0	115.3	Q267	Y166-Q267 PolarHBondContact OH-NE2 3.5Å; Y166-Q267 VanDerWaalsContact OH-NE2 3.14Å; Y166-Q267 PolarHBondContact OH-OE1 3.11Å
167	S	49.8	Very low	56.4	Low	72 Å²	72	78.8 Å²	78.8	50%	0.503	40%	0.402	S	S	.	.	S	Bend	trans	-123	-2.6	-179.3	68.1	0	0	0	0	114.7	M155	M155-S167 WeakPolarHBondContact CE-OG 3.48Å
168	L	55	Low	57.3	Low	20 Å²	20	75 Å²	75	11%	0.105	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-68.7	129.2	175.8	-78.2	166.4	0	0	0	109.4	M155 Y258 P260	M155-L168 HydrophobicContact SD-CD2 4.44Å; L168-Y258 HydrophobicContact CB-CD1 4Å; L168-Y258 HydrophobicContact CB-CE1 3.25Å; L168-Y258 HydrophobicContact CD1-CE1 4.01Å; L168-Y258 HydrophobicContact CD1-CE2 4.37Å; L168-Y258 HydrophobicContact CG-CE1 4.28Å; L168-P260 VanDerWaalsContact O-CG 3.29Å; L168-P260 WeakPolarHBondContact O-CG 3.2Å
169	P	56.9	Low	58.6	Low	34 Å²	34	69.7 Å²	69.7	22%	0.221	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-66.8	159.5	173.6	28.2	-33	0	0	0	110.2	V136 T171	V136-P169 HydrophobicContact CG1-CB 4.22Å; V136-P169 HydrophobicContact CG1-CG 4.06Å; P169-T171 HydrophobicContact CG-CG2 4.47Å; P169-T171 PolarHBondContact O-N 2.84Å
170	H	63.1	Low	59.6	Low	32 Å²	32	59.5 Å²	59.5	15%	0.148	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-59.8	125.8	173.5	176.5	70.3	0	0	0	110.5	E137 E257 Y258	E137-H170 PolarHBondContact N-O 3.11Å; H170-E257 IonicContact CE1-OE1 3.36Å; H170-E257 PolarHBondContact CE1-OE1 3Å; H170-E257 VanDerWaalsContact CE1-OE1 3.31Å; H170-E257 IonicContact NE2-OE1 2.93Å; H170-Y258 WeakPolarHBondContact CA-O 3.31Å; H170-Y258 PolarHBondContact ND1-O 3.19Å
171	T	67.8	Low	60	Low	8 Å²	8	60.7 Å²	60.7	5%	0.049	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	147.3	-177.4	56.2	0	0	0	0	112.1	V136 Y147 P169 Y258	V136-T171 HydrophobicContact CG2-CG2 4.26Å; Y147-T171 HydrophobicContact CE2-CG2 4.09Å; P169-T171 HydrophobicContact CG-CG2 4.47Å; P169-T171 PolarHBondContact O-N 2.84Å; T171-Y258 PolarHBondContact N-O 2.73Å; T171-Y258 VanDerWaalsContact N-O 3.08Å; T171-Y258 PolarHBondContact O-N 3.25Å
172	V	74.6	Confident	60.6	Low	24 Å²	24	57.1 Å²	57.1	15%	0.145	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.3	168.1	-179	0	0	0	0	107.6	M1 L255 I256 E257	M1-V172 HydrophobicContact CE-CG1 4.35Å; V172-L255 HydrophobicContact CG1-CD1 3.76Å; V172-L255 HydrophobicContact CG1-CD2 4.46Å; V172-L255 HydrophobicContact CG1-CG 4.07Å; V172-I256 CarbonylContact C-O 3.57Å; V172-I256 WeakPolarHBondContact CA-O 3.45Å; V172-E257 HydrophobicContact CG2-CB 4.42Å; V172-E257 HydrophobicContact CG2-CG 4.26Å
173	T	70.4	Confident	61.4	Low	20 Å²	20	51.7 Å²	51.7	12%	0.123	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139.3	-171.5	63.3	0	0	0	0	111.6	A134 Y147 I256	A134-T173 HydrophobicContact CB-CG2 4.46Å; Y147-T173 HydrophobicContact CE1-CG2 4.35Å; T173-I256 PolarHBondContact N-O 3.36Å; T173-I256 PolarHBondContact O-N 3.39Å
174	L	74	Confident	62.1	Low	27 Å²	27	54.3 Å²	54.3	14%	0.141	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	124.9	170.8	-176.7	74	0	0	0	109.1	T2 L254 L255	T2-L174 HydrophobicContact CG2-CD2 4.3Å; L174-L254 WeakPolarHBondContact CA-O 3.17Å; L174-L255 HydrophobicContact CB-CD1 4.37Å; L174-L255 HydrophobicContact CD1-CB 4.49Å; L174-L255 HydrophobicContact CD1-CD1 4.44Å
175	I	76	Confident	63	Low	12 Å²	12	51.5 Å²	51.5	6%	0.062	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.1	-178.6	-56	178.7	0	0	0	108.8	M177 V215 A218 I219 Q253 L254 I256	I175-M177 HydrophobicContact CG2-CG 4.36Å; I175-V215 HydrophobicContact CG2-CG1 4Å; I175-V215 HydrophobicContact CG2-CG2 4.21Å; I175-A218 HydrophobicContact CD1-CB 3.54Å; I175-A218 WeakPolarHBondContact CD1-O 3.23Å; I175-A218 HydrophobicContact CG1-CB 4.09Å; I175-I219 HydrophobicContact CD1-CD1 4.1Å; I175-I219 HydrophobicContact CD1-CG1 3.4Å; I175-Q253 CarbonylContact O-C 3.6Å; I175-Q253 VanDerWaalsContact O-CA 3.31Å; I175-Q253 WeakPolarHBondContact O-CA 3.48Å; I175-L254 PolarHBondContact N-O 2.85Å; I175-L254 PolarHBondContact O-N 3.25Å; I175-I256 HydrophobicContact CD1-CD1 3.6Å; I175-I256 HydrophobicContact CD1-CG1 4.24Å
176	S	71.9	Confident	64	Low	66 Å²	66	48.8 Å²	48.8	46%	0.462	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.1	172.5	-65.7	0	0	0	0	109.7
177	M	71.9	Confident	65.4	Low	9 Å²	9	44.3 Å²	44.3	4%	0.044	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121	175.9	-73.3	177	-80.2	0	0	110	I175 R185 F187 V215 I219 T251 L252 L254	I175-M177 HydrophobicContact CG2-CG 4.36Å; M177-R185 PolarHBondContact O-NH1 2.85Å; M177-F187 HydrophobicContact CE-CD1 4.48Å; M177-F187 HydrophobicContact CE-CE1 3.48Å; M177-F187 VanDerWaalsContact CE-CE1 3.48Å; M177-F187 HydrophobicContact CE-CZ 3.69Å; M177-F187 HydrophobicContact SD-CD1 4.09Å; M177-F187 HydrophobicContact SD-CE1 3.49Å; M177-F187 WeakPolarHBondContact SD-CE1 3.28Å; M177-F187 HydrophobicContact SD-CZ 4.31Å; M177-V215 HydrophobicContact CG-CB 4.46Å; M177-V215 HydrophobicContact CG-CG1 3.83Å; M177-V215 HydrophobicContact CG-CG2 3.89Å; M177-V215 HydrophobicContact SD-CG1 3.96Å; M177-I219 HydrophobicContact CE-CD1 4.25Å; M177-I219 HydrophobicContact SD-CD1 4.26Å; M177-T251 CarbonylContact O-C 3.59Å; M177-T251 VanDerWaalsContact O-CA 3.3Å; M177-T251 WeakPolarHBondContact O-CA 3.5Å; M177-L252 HydrophobicContact CB-CB 4.37Å; M177-L252 HydrophobicContact CE-CB 4.29Å; M177-L252 HydrophobicContact CE-CD2 3.62Å; M177-L252 HydrophobicContact CE-CG 3.95Å; M177-L252 PolarHBondContact N-O 3.36Å; M177-L252 PolarHBondContact O-N 2.84Å; M177-L254 HydrophobicContact CE-CD1 3.36Å; M177-L254 HydrophobicContact CE-CG 3.84Å
178	P	67.2	Low	66.7	Low	84 Å²	84	42.4 Å²	42.4	55%	0.545	27%	0.268	S	S	.	.			trans	-64.7	167.1	175.4	26.3	-32.1	0	0	0	112.4	R185	P178-R185 PolarHBondContact O-NH1 3.21Å
179	S	68.1	Low	68	Low	68 Å²	68	41.5 Å²	41.5	48%	0.476	26%	0.264	S	S	.	.			trans	-55.5	136.2	175.4	-178.5	0	0	0	0	110.8	T248 S249	S179-T248 WeakPolarHBondContact CA-O 3.4Å; S179-T248 PolarHBondContact OG-O 3.38Å; S179-S249 WeakPolarHBondContact CB-O 3.4Å; S179-S249 VanDerWaalsContact OG-C 3.29Å; S179-S249 PolarHBondContact OG-O 2.76Å
180	A	62.8	Low	69.1	Low	20 Å²	20	41.3 Å²	41.3	17%	0.165	26%	0.263	C	S	.	.			trans	-104.9	109.1	-173.9	0	0	0	0	0	110.6	N182 G183 R185 T248	A180-N182 PolarHBondContact O-N 2.83Å; A180-N182 VanDerWaalsContact O-N 3.15Å; A180-G183 PolarHBondContact O-N 3.04Å; A180-R185 HydrophobicContact CB-CG 4.29Å; A180-T248 HydrophobicContact CB-CG2 4.28Å; A180-T248 PolarHBondContact N-O 2.9Å
181	A	50.2	Low	69.9	Low	117 Å²	117	41 Å²	41	97%	0.967	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.1	-176.5	0	0	0	0	0	114.5
182	N	58.5	Low	70.2	Confident	93 Å²	93	45 Å²	45	50%	0.497	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	5.1	-179.6	64.4	-3.3	0	0	0	113.7	A180 K184	A180-N182 PolarHBondContact O-N 2.83Å; A180-N182 VanDerWaalsContact O-N 3.15Å; N182-K184 VanDerWaalsContact C-N 3.25Å; N182-K184 PolarHBondContact O-N 2.94Å; N182-K184 PolarHBondContact OD1-N 3.18Å; N182-K184 PolarHBondContact OD1-O 2.98Å
183	G	58.8	Low	70	Confident	42 Å²	42	50 Å²	50	43%	0.433	30%	0.3	S	S	.	.	S	Bend	trans	72.9	5.9	178.6	0	0	0	0	0	115.6	A180 T248	A180-G183 PolarHBondContact O-N 3.04Å; G183-T248 WeakPolarHBondContact O-CG2 3.46Å
184	K	62.2	Low	69.5	Low	140 Å²	140	53.6 Å²	53.6	61%	0.609	32%	0.319	S	S	*	.			trans	-143.4	129.6	176.6	-65	-174.4	-179.5	179.6	0	112	N182 G186	N182-K184 VanDerWaalsContact C-N 3.25Å; N182-K184 PolarHBondContact O-N 2.94Å; N182-K184 PolarHBondContact OD1-N 3.18Å; N182-K184 PolarHBondContact OD1-O 2.98Å; K184-G186 VanDerWaalsContact C-N 3.29Å; K184-G186 PolarHBondContact O-N 2.84Å
185	R	69.6	Low	68.5	Low	19 Å²	19	61.6 Å²	61.6	7%	0.072	36%	0.358	C	S	.	.			trans	-81.7	1.1	178.7	-61.1	-174.1	-174	-83.6	-0.4	115	M177 P178 A180 F187 I211 V245 H247 T248 H250	M177-R185 PolarHBondContact O-NH1 2.85Å; P178-R185 PolarHBondContact O-NH1 3.21Å; A180-R185 HydrophobicContact CB-CG 4.29Å; R185-F187 HydrophobicContact CB-CD1 4.15Å; R185-F187 HydrophobicContact CB-CE1 3.82Å; R185-F187 PolarHBondContact O-N 2.79Å; R185-I211 WeakPolarHBondContact O-CG1 3.44Å; R185-V245 WeakPolarHBondContact CD-O 3.2Å; R185-H247 PolarHBondContact NE-O 3.12Å; R185-H247 PolarHBondContact NH2-O 3.47Å; R185-T248 HydrophobicContact CG-CG2 4.09Å; R185-H250 PolarHBondContact NH1-O 2.91Å; R185-H250 PolarHBondContact NH2-O 3.08Å
186	G	67.8	Low	67.3	Low	8 Å²	8	68.5 Å²	68.5	8%	0.082	40%	0.395	C	S	.	.	S	Bend	trans	79.5	5.6	170.8	0	0	0	0	0	116.7	K184 R207 I211	K184-G186 VanDerWaalsContact C-N 3.29Å; K184-G186 PolarHBondContact O-N 2.84Å; G186-R207 WeakPolarHBondContact O-CA 3.32Å; G186-R207 WeakPolarHBondContact O-CB 3.25Å; G186-R207 PolarHBondContact O-N 2.8Å; G186-I211 WeakPolarHBondContact O-CD1 3.06Å
187	F	77.8	Confident	66.6	Low	16 Å²	16	67.8 Å²	67.8	7%	0.07	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	160.5	172.1	72.6	-76.4	0	0	0	111.2	M177 R185 V189 E205 V206 I211 V245 L252 L254	M177-F187 HydrophobicContact CE-CD1 4.48Å; M177-F187 HydrophobicContact CE-CE1 3.48Å; M177-F187 VanDerWaalsContact CE-CE1 3.48Å; M177-F187 HydrophobicContact CE-CZ 3.69Å; M177-F187 HydrophobicContact SD-CD1 4.09Å; M177-F187 HydrophobicContact SD-CE1 3.49Å; M177-F187 WeakPolarHBondContact SD-CE1 3.28Å; M177-F187 HydrophobicContact SD-CZ 4.31Å; R185-F187 HydrophobicContact CB-CD1 4.15Å; R185-F187 HydrophobicContact CB-CE1 3.82Å; R185-F187 PolarHBondContact O-N 2.79Å; F187-V189 HydrophobicContact CD2-CG1 4.13Å; F187-V189 HydrophobicContact CE2-CG1 3.85Å; F187-E205 CarbonylContact C-O 3.56Å; F187-E205 WeakPolarHBondContact CA-O 3.09Å; F187-E205 WeakPolarHBondContact CB-O 3.16Å; F187-V206 HydrophobicContact CB-CG2 4.43Å; F187-I211 HydrophobicContact CB-CD1 4.31Å; F187-V245 HydrophobicContact CE1-CG1 4.46Å; F187-V245 HydrophobicContact CE2-CG1 3.9Å; F187-V245 HydrophobicContact CZ-CG1 3.76Å; F187-L252 HydrophobicContact CE1-CD2 4.33Å; F187-L252 HydrophobicContact CZ-CD2 3.92Å; F187-L254 HydrophobicContact CE2-CD1 3.96Å; F187-L254 HydrophobicContact CZ-CD1 3.7Å
188	S	75.7	Confident	65.9	Low	31 Å²	31	70 Å²	70	22%	0.217	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	155.9	175.5	72.8	0	0	0	0	111.6	K204 E205	S188-K204 PolarHBondContact O-N 2.86Å; S188-E205 PolarHBondContact N-O 2.86Å; S188-E205 PolarHBondContact O-N 3.03Å; S188-E205 VanDerWaalsContact OG-CB 3.31Å; S188-E205 WeakPolarHBondContact OG-CB 3.43Å; S188-E205 PolarHBondContact OG-N 3.19Å
189	V	83.1	Confident	65.8	Low	2 Å²	2	66.7 Å²	66.7	1%	0.012	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	149.5	-177.4	-61	0	0	0	0	111.5	F187 V201 Q202 I225 V241 Y242 V245	F187-V189 HydrophobicContact CD2-CG1 4.13Å; F187-V189 HydrophobicContact CE2-CG1 3.85Å; V189-V201 HydrophobicContact CB-CG1 3.76Å; V189-V201 HydrophobicContact CG1-CG1 4.15Å; V189-V201 HydrophobicContact CG2-CG1 4.16Å; V189-Q202 CarbonylContact C-O 3.51Å; V189-Q202 WeakPolarHBondContact CA-O 3.48Å; V189-I225 HydrophobicContact CG1-CD1 3.56Å; V189-V241 HydrophobicContact CG2-CG1 4.08Å; V189-Y242 HydrophobicContact CG2-CD1 4.39Å; V189-Y242 HydrophobicContact CG2-CE1 4.08Å; V189-Y242 WeakPolarHBondContact O-CE1 3.48Å; V189-Y242 PolarHBondContact O-OH 2.79Å; V189-V245 HydrophobicContact CG1-CG2 4.41Å; V189-V245 HydrophobicContact CG2-CG2 4.2Å
190	S	80.5	Confident	66	Low	29 Å²	29	64 Å²	64	20%	0.203	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.7	169	51.9	0	0	0	0	109.7	V201 Q202	S190-V201 WeakPolarHBondContact O-CA 3.37Å; S190-Q202 PolarHBondContact N-O 3.21Å; S190-Q202 PolarHBondContact O-N 3.36Å; S190-Q202 PolarHBondContact OG-O 2.99Å
191	V	79.9	Confident	66.9	Low	26 Å²	26	63.1 Å²	63.1	16%	0.158	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.5	175.2	-167.8	0	0	0	0	108.6	S200 V201 E238 V241 Y242	V191-S200 WeakPolarHBondContact CA-O 3.35Å; V191-V201 HydrophobicContact CB-CG2 4.35Å; V191-V201 HydrophobicContact CG1-CG2 4.01Å; V191-V201 HydrophobicContact CG2-CG2 3.98Å; V191-E238 HydrophobicContact CB-CG 4.16Å; V191-E238 HydrophobicContact CG2-CG 4Å; V191-V241 HydrophobicContact CG2-CB 4.41Å; V191-V241 HydrophobicContact CG2-CG1 4.1Å; V191-Y242 HydrophobicContact CG2-CE2 4.2Å
192	L	72.9	Confident	68.4	Low	91 Å²	91	59.4 Å²	59.4	48%	0.476	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.1	175.9	-74.2	157	0	0	0	108.3	S200	L192-S200 PolarHBondContact N-O 2.92Å; L192-S200 PolarHBondContact O-N 3.49Å; L192-S200 PolarHBondContact O-OG 3.3Å; L192-S200 VanDerWaalsContact O-OG 3.13Å
193	R	71.4	Confident	69.5	Low	129 Å²	129	55 Å²	55	49%	0.487	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.2	174	-73.4	-173.3	177.6	-156.9	-3.7	110.2	A198 A199 M237	R193-A198 WeakPolarHBondContact CA-O 3.4Å; R193-A199 HydrophobicContact CG-CB 4.18Å; R193-M237 PolarHBondContact NH2-SD 3.3Å; R193-M237 VanDerWaalsContact NH2-SD 3.4Å
194	D	59.8	Low	70.3	Confident	97 Å²	97	59.7 Å²	59.7	52%	0.519	32%	0.319	S	S	.	.			trans	-80.7	163.6	174.3	-63.3	-18.1	0	0	0	110.5	N196 G197 A198	D194-N196 PolarHBondContact O-N 3.39Å; D194-G197 PolarHBondContact O-N 3.31Å; D194-A198 PolarHBondContact N-O 3.3Å; D194-A198 VanDerWaalsContact N-O 3.17Å
195	M	51.6	Low	70.8	Confident	194 Å²	194	57 Å²	57	96%	0.956	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-15.3	-179.4	-62.6	-65.8	156.4	0	0	114
196	N	52.5	Low	71	Confident	158 Å²	158	57.9 Å²	57.9	85%	0.845	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	9.3	175.6	-69.6	0.9	0	0	0	113.7	D194 A198	D194-N196 PolarHBondContact O-N 3.39Å; N196-A198 VanDerWaalsContact C-N 3.29Å; N196-A198 PolarHBondContact O-N 3.44Å
197	G	56	Low	71.1	Confident	50 Å²	50	63.9 Å²	63.9	52%	0.515	34%	0.336	S	S	.	.			trans	80	0.5	177.1	0	0	0	0	0	115.6	D194 A199	D194-G197 PolarHBondContact O-N 3.31Å; G197-A199 PolarHBondContact O-N 3.19Å
198	A	56.6	Low	70.2	Confident	55 Å²	55	64 Å²	64	46%	0.455	34%	0.342	S	S	.	.			trans	-70.3	116.8	175.6	0	0	0	0	0	110.6	R193 D194 N196	R193-A198 WeakPolarHBondContact CA-O 3.4Å; D194-A198 PolarHBondContact N-O 3.3Å; D194-A198 VanDerWaalsContact N-O 3.17Å; N196-A198 VanDerWaalsContact C-N 3.29Å; N196-A198 PolarHBondContact O-N 3.44Å
199	A	65.6	Low	69.3	Low	15 Å²	15	71.2 Å²	71.2	12%	0.124	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	124.8	173.8	0	0	0	0	0	110.2	R193 G197	R193-A199 HydrophobicContact CG-CB 4.18Å; G197-A199 PolarHBondContact O-N 3.19Å
200	S	73.3	Confident	68.1	Low	13 Å²	13	74.9 Å²	74.9	9%	0.091	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.8	171	69	0	0	0	0	109.8	V191 L192 R224	V191-S200 WeakPolarHBondContact CA-O 3.35Å; L192-S200 PolarHBondContact N-O 2.92Å; L192-S200 PolarHBondContact O-N 3.49Å; L192-S200 PolarHBondContact O-OG 3.3Å; L192-S200 VanDerWaalsContact O-OG 3.13Å; S200-R224 PolarHBondContact OG-NH2 3.41Å
201	V	81.3	Confident	67.3	Low	1 Å²	1	74.3 Å²	74.3	1%	0.006	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131	-179.7	177.8	0	0	0	0	108.8	V189 S190 V191 I225 V233 V241	V189-V201 HydrophobicContact CB-CG1 3.76Å; V189-V201 HydrophobicContact CG1-CG1 4.15Å; V189-V201 HydrophobicContact CG2-CG1 4.16Å; S190-V201 WeakPolarHBondContact O-CA 3.37Å; V191-V201 HydrophobicContact CB-CG2 4.35Å; V191-V201 HydrophobicContact CG1-CG2 4.01Å; V191-V201 HydrophobicContact CG2-CG2 3.98Å; V201-I225 HydrophobicContact CB-CB 4.25Å; V201-I225 HydrophobicContact CG1-CB 4.17Å; V201-I225 HydrophobicContact CG1-CD1 3.97Å; V201-I225 HydrophobicContact CG1-CG1 4.32Å; V201-I225 PolarHBondContact O-N 3.2Å; V201-V233 HydrophobicContact CB-CG1 3.72Å; V201-V233 HydrophobicContact CG2-CB 4.49Å; V201-V233 HydrophobicContact CG2-CG1 3.16Å; V201-V241 HydrophobicContact CG1-CG1 4.09Å; V201-V241 HydrophobicContact CG2-CG1 3.97Å; V201-V241 HydrophobicContact CG2-CG2 4.3Å
202	Q	82.3	Confident	66.2	Low	38 Å²	38	74.9 Å²	74.9	18%	0.178	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.2	-179.7	-74.8	179	-17.9	0	0	111.1	V189 S190 K204 D223 R224	V189-Q202 CarbonylContact C-O 3.51Å; V189-Q202 WeakPolarHBondContact CA-O 3.48Å; S190-Q202 PolarHBondContact N-O 3.21Å; S190-Q202 PolarHBondContact O-N 3.36Å; S190-Q202 PolarHBondContact OG-O 2.99Å; Q202-K204 PolarHBondContact O-N 2.68Å; Q202-D223 CarbonylContact C-O 3.56Å; Q202-D223 VanDerWaalsContact CA-O 3.28Å; Q202-D223 WeakPolarHBondContact CA-O 3.45Å; Q202-R224 HydrophobicContact CG-CG 3.85Å
203	V	80.5	Confident	65.5	Low	2 Å²	2	75.7 Å²	75.7	1%	0.012	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	117.5	174.3	-179.5	0	0	0	0	109.3	V206 I219 H220 G222 D223 I225	V203-V206 HydrophobicContact CG1-CG2 3.51Å; V203-I219 HydrophobicContact CG1-CG2 3.85Å; V203-I219 HydrophobicContact CG2-CG2 4.09Å; V203-H220 WeakPolarHBondContact CB-O 3.41Å; V203-H220 WeakPolarHBondContact CG1-O 3.44Å; V203-G222 PolarHBondContact O-N 2.97Å; V203-D223 HydrophobicContact CB-CB 4.45Å; V203-D223 HydrophobicContact CG2-CB 4.09Å; V203-D223 PolarHBondContact N-O 2.78Å; V203-I225 HydrophobicContact CG2-CD1 4.16Å; V203-I225 HydrophobicContact CG2-CG1 4.19Å
204	K	75.5	Confident	64.6	Low	140 Å²	140	75.2 Å²	75.2	61%	0.609	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	-43.1	-175.2	-177.6	-179.1	-179.1	178.6	0	112.9	S188 Q202 V221	S188-K204 PolarHBondContact O-N 2.86Å; Q202-K204 PolarHBondContact O-N 2.68Å; K204-V221 WeakPolarHBondContact O-CG1 3.49Å
205	E	73.1	Confident	64.7	Low	84 Å²	84	71 Å²	71	39%	0.393	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	139.8	-177.7	-166.3	-170.8	155.9	0	0	109.8	F187 S188 R207	F187-E205 CarbonylContact C-O 3.56Å; F187-E205 WeakPolarHBondContact CA-O 3.09Å; F187-E205 WeakPolarHBondContact CB-O 3.16Å; S188-E205 PolarHBondContact N-O 2.86Å; S188-E205 PolarHBondContact O-N 3.03Å; S188-E205 VanDerWaalsContact OG-CB 3.31Å; S188-E205 WeakPolarHBondContact OG-CB 3.43Å; S188-E205 PolarHBondContact OG-N 3.19Å; E205-R207 IonicContact OE1-CZ 2.66Å; E205-R207 IonicContact OE1-NE 2.59Å; E205-R207 PolarHBondContact OE1-NE 3.22Å; E205-R207 IonicContact OE1-NH2 3.39Å; E205-R207 PolarHBondContact OE1-NH2 2.86Å; E205-R207 IonicContact OE2-NH2 3.89Å
206	V	73.9	Confident	65.2	Low	37 Å²	37	68.5 Å²	68.5	22%	0.224	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	110.1	176.8	-175.8	0	0	0	0	108.8	F187 V203 G208 I211 I219 V221	F187-V206 HydrophobicContact CB-CG2 4.43Å; V203-V206 HydrophobicContact CG1-CG2 3.51Å; V206-G208 PolarHBondContact O-N 2.82Å; V206-I211 HydrophobicContact CG1-CD1 3.42Å; V206-I211 VanDerWaalsContact CG1-CD1 3.42Å; V206-I219 HydrophobicContact CG2-CG2 3.8Å; V206-V221 HydrophobicContact CB-CG2 4.37Å; V206-V221 HydrophobicContact CG2-CG2 3.97Å
207	R	69.6	Low	65.4	Low	133 Å²	133	63.3 Å²	63.3	50%	0.502	34%	0.341	S	S	.	.			trans	-92.2	87.7	177	-63.5	-173	179.5	-173.6	2.8	110.1	G186 E205 M209 L210	G186-R207 WeakPolarHBondContact O-CA 3.32Å; G186-R207 WeakPolarHBondContact O-CB 3.25Å; G186-R207 PolarHBondContact O-N 2.8Å; E205-R207 IonicContact OE1-CZ 2.66Å; E205-R207 IonicContact OE1-NE 2.59Å; E205-R207 PolarHBondContact OE1-NE 3.22Å; E205-R207 IonicContact OE1-NH2 3.39Å; E205-R207 PolarHBondContact OE1-NH2 2.86Å; E205-R207 IonicContact OE2-NH2 3.89Å; R207-M209 PolarHBondContact O-N 3.41Å; R207-L210 HydrophobicContact CB-CD1 4.34Å; R207-L210 PolarHBondContact O-N 2.74Å
208	G	58.9	Low	65.6	Low	20 Å²	20	62.4 Å²	62.4	21%	0.206	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-9.4	-173.3	0	0	0	0	0	117.4	V206 R216	V206-G208 PolarHBondContact O-N 2.82Å; G208-R216 PolarHBondContact O-NH1 3.37Å
209	M	57.7	Low	66.3	Low	181 Å²	181	59.9 Å²	59.9	89%	0.892	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-13.3	172.9	-65.8	-135.7	80.5	0	0	113.9	R207	R207-M209 PolarHBondContact O-N 3.41Å
210	L	57	Low	66.5	Low	79 Å²	79	61.7 Å²	61.7	41%	0.414	31%	0.313	S	S	.	.	S	Bend	trans	-110.1	6	-177.8	-66	169.8	0	0	0	112.8	R207	R207-L210 HydrophobicContact CB-CD1 4.34Å; R207-L210 PolarHBondContact O-N 2.74Å
211	I	63.8	Low	66.3	Low	17 Å²	17	65 Å²	65	9%	0.087	33%	0.333	C	S	.	.	S	Bend	trans	-114.9	142.9	-177.9	-59.5	179	0	0	0	108.3	R185 G186 F187 V206 V215 R216	R185-I211 WeakPolarHBondContact O-CG1 3.44Å; G186-I211 WeakPolarHBondContact O-CD1 3.06Å; F187-I211 HydrophobicContact CB-CD1 4.31Å; V206-I211 HydrophobicContact CG1-CD1 3.42Å; V206-I211 VanDerWaalsContact CG1-CD1 3.42Å; I211-V215 HydrophobicContact CG2-CB 3.54Å; I211-V215 HydrophobicContact CG2-CG1 3.58Å; I211-R216 HydrophobicContact CG2-CB 4.44Å
212	S	57.8	Low	65.6	Low	39 Å²	39	66.1 Å²	66.1	27%	0.273	35%	0.345	S	S	.	.			trans	-59.2	144.6	175.6	85	0	0	0	0	110.6	E214 V215 R216	S212-E214 VanDerWaalsContact CB-OE2 3.26Å; S212-E214 WeakPolarHBondContact CB-OE2 3.41Å; S212-E214 PolarHBondContact O-N 2.96Å; S212-E214 PolarHBondContact OG-OE2 2.93Å; S212-V215 PolarHBondContact O-N 2.85Å; S212-R216 PolarHBondContact O-N 3.03Å; S212-R216 VanDerWaalsContact O-N 3.11Å
213	P	56.6	Low	65.2	Low	107 Å²	107	64.5 Å²	64.5	70%	0.695	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-27.1	179.4	-24.9	33.4	0	0	0	113.3
214	E	53.8	Low	65.1	Low	120 Å²	120	67.4 Å²	67.4	56%	0.561	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-27.2	177.9	-52.3	94.4	-173.2	0	0	114.5	S212	S212-E214 VanDerWaalsContact CB-OE2 3.26Å; S212-E214 WeakPolarHBondContact CB-OE2 3.41Å; S212-E214 PolarHBondContact O-N 2.96Å; S212-E214 PolarHBondContact OG-OE2 2.93Å
215	V	60.9	Low	65.4	Low	7 Å²	7	61 Å²	61	4%	0.042	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-27.3	-177.2	175.2	0	0	0	0	111.2	I175 M177 I211 S212 S217 A218 I219	I175-V215 HydrophobicContact CG2-CG1 4Å; I175-V215 HydrophobicContact CG2-CG2 4.21Å; M177-V215 HydrophobicContact CG-CB 4.46Å; M177-V215 HydrophobicContact CG-CG1 3.83Å; M177-V215 HydrophobicContact CG-CG2 3.89Å; M177-V215 HydrophobicContact SD-CG1 3.96Å; I211-V215 HydrophobicContact CG2-CB 3.54Å; I211-V215 HydrophobicContact CG2-CG1 3.58Å; S212-V215 PolarHBondContact O-N 2.85Å; V215-S217 PolarHBondContact O-N 2.87Å; V215-S217 VanDerWaalsContact O-N 3.16Å; V215-A218 PolarHBondContact O-N 3.33Å; V215-I219 HydrophobicContact CG1-CD1 3.73Å; V215-I219 HydrophobicContact CG1-CG1 4.13Å; V215-I219 PolarHBondContact O-N 3.16Å
216	R	61.7	Low	65.5	Low	143 Å²	143	59.8 Å²	59.8	54%	0.54	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.2	178.6	-178	176.9	175.5	169	-6	114	G208 I211 S212	G208-R216 PolarHBondContact O-NH1 3.37Å; I211-R216 HydrophobicContact CG2-CB 4.44Å; S212-R216 PolarHBondContact O-N 3.03Å; S212-R216 VanDerWaalsContact O-N 3.11Å
217	S	57.8	Low	65.9	Low	48 Å²	48	60.5 Å²	60.5	34%	0.336	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-3.9	179.6	54.7	0	0	0	0	114.2	V215	V215-S217 PolarHBondContact O-N 2.87Å; V215-S217 VanDerWaalsContact O-N 3.16Å
218	A	61	Low	66.4	Low	31 Å²	31	54.1 Å²	54.1	26%	0.256	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-15.3	-174.4	0	0	0	0	0	113.8	I175 V215	I175-A218 HydrophobicContact CD1-CB 3.54Å; I175-A218 WeakPolarHBondContact CD1-O 3.23Å; I175-A218 HydrophobicContact CG1-CB 4.09Å; V215-A218 PolarHBondContact O-N 3.33Å
219	I	69.6	Low	67.1	Low	3 Å²	3	56.4 Å²	56.4	2%	0.015	30%	0.3	C	S	.	.			trans	-116.2	123.3	178.2	-62.6	-173.5	0	0	0	109.7	I175 M177 V203 V206 V215 L254 I256	I175-I219 HydrophobicContact CD1-CD1 4.1Å; I175-I219 HydrophobicContact CD1-CG1 3.4Å; M177-I219 HydrophobicContact CE-CD1 4.25Å; M177-I219 HydrophobicContact SD-CD1 4.26Å; V203-I219 HydrophobicContact CG1-CG2 3.85Å; V203-I219 HydrophobicContact CG2-CG2 4.09Å; V206-I219 HydrophobicContact CG2-CG2 3.8Å; V215-I219 HydrophobicContact CG1-CD1 3.73Å; V215-I219 HydrophobicContact CG1-CG1 4.13Å; V215-I219 PolarHBondContact O-N 3.16Å; I219-L254 HydrophobicContact CD1-CD1 4.43Å; I219-I256 HydrophobicContact CD1-CD1 4.07Å; I219-I256 HydrophobicContact CG1-CD1 3.75Å
220	H	69.9	Low	67.4	Low	52 Å²	52	49.8 Å²	49.8	24%	0.241	28%	0.278	C	S	.	.			trans	-120.7	156.4	175.7	-52.3	87.6	0	0	0	111.5	L165 V203 G222 D223	L165-H220 HydrophobicContact CD2-CB 4.39Å; V203-H220 WeakPolarHBondContact CB-O 3.41Å; V203-H220 WeakPolarHBondContact CG1-O 3.44Å; H220-G222 PolarHBondContact O-N 3.14Å; H220-D223 PolarHBondContact N-OD2 3.24Å; H220-D223 IonicContact ND1-OD2 2.88Å; H220-D223 WeakPolarHBondContact O-CB 3.36Å; H220-D223 VanDerWaalsContact O-CG 3.24Å; H220-D223 PolarHBondContact O-N 3.02Å
221	V	69.4	Low	68.2	Low	83 Å²	83	50.1 Å²	50.1	50%	0.503	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	130.5	173.4	177.2	0	0	0	0	108.7	K204 V206	K204-V221 WeakPolarHBondContact O-CG1 3.49Å; V206-V221 HydrophobicContact CB-CG2 4.37Å; V206-V221 HydrophobicContact CG2-CG2 3.97Å
222	G	67.5	Low	68.7	Low	25 Å²	25	52.3 Å²	52.3	26%	0.258	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	-1.4	-176.6	0	0	0	0	0	115.1	V203 H220 Q263	V203-G222 PolarHBondContact O-N 2.97Å; H220-G222 PolarHBondContact O-N 3.14Å; G222-Q263 PolarHBondContact O-NE2 3.11Å
223	D	74.2	Confident	69.6	Low	3 Å²	3	50.7 Å²	50.7	2%	0.016	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-68.8	142.2	175.4	-70.1	-2.9	0	0	0	111.4	Q202 V203 H220 I256 Y258	Q202-D223 CarbonylContact C-O 3.56Å; Q202-D223 VanDerWaalsContact CA-O 3.28Å; Q202-D223 WeakPolarHBondContact CA-O 3.45Å; V203-D223 HydrophobicContact CB-CB 4.45Å; V203-D223 HydrophobicContact CG2-CB 4.09Å; V203-D223 PolarHBondContact N-O 2.78Å; H220-D223 PolarHBondContact N-OD2 3.24Å; H220-D223 IonicContact ND1-OD2 2.88Å; H220-D223 WeakPolarHBondContact O-CB 3.36Å; H220-D223 VanDerWaalsContact O-CG 3.24Å; H220-D223 PolarHBondContact O-N 3.02Å; D223-I256 HydrophobicContact CB-CG2 3.45Å; D223-I256 VanDerWaalsContact CB-CG2 3.45Å; D223-Y258 WeakPolarHBondContact OD1-CD2 3.49Å
224	R	77.6	Confident	70.2	Confident	64 Å²	64	48.2 Å²	48.2	24%	0.242	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	131.6	177	-90.8	-174.9	153.1	-138	-3.8	110.9	S200 Q202 I256 E257	S200-R224 PolarHBondContact OG-NH2 3.41Å; Q202-R224 HydrophobicContact CG-CG 3.85Å; R224-I256 CarbonylContact O-C 3.57Å; R224-I256 WeakPolarHBondContact O-CA 3.48Å; R224-E257 HydrophobicContact CB-CB 4.41Å; R224-E257 PolarHBondContact N-O 2.81Å; R224-E257 VanDerWaalsContact N-O 3.09Å; R224-E257 PolarHBondContact O-N 3.39Å
225	I	80.9	Confident	71.1	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	118.5	173.2	-53.4	-176.9	0	0	0	107.8	V189 V201 V203 I228 V233 L254	V189-I225 HydrophobicContact CG1-CD1 3.56Å; V201-I225 HydrophobicContact CB-CB 4.25Å; V201-I225 HydrophobicContact CG1-CB 4.17Å; V201-I225 HydrophobicContact CG1-CD1 3.97Å; V201-I225 HydrophobicContact CG1-CG1 4.32Å; V201-I225 PolarHBondContact O-N 3.2Å; V203-I225 HydrophobicContact CG2-CD1 4.16Å; V203-I225 HydrophobicContact CG2-CG1 4.19Å; I225-I228 HydrophobicContact CG2-CD1 4.41Å; I225-I228 HydrophobicContact CG2-CG1 3.8Å; I225-V233 HydrophobicContact CG2-CG2 4.01Å; I225-V233 WeakPolarHBondContact O-CG2 3.16Å; I225-L254 HydrophobicContact CD1-CD1 4.32Å; I225-L254 HydrophobicContact CG2-CD2 4.2Å
226	L	76.4	Confident	71.7	Confident	59 Å²	59	47.5 Å²	47.5	31%	0.309	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-38.1	179.6	-60.1	-176.9	0	0	0	111.5	V233 L255 E257	L226-V233 WeakPolarHBondContact O-CG2 3.27Å; L226-V233 PolarHBondContact O-N 2.84Å; L226-L255 HydrophobicContact CB-CB 4.45Å; L226-L255 HydrophobicContact CB-CD2 4.11Å; L226-L255 HydrophobicContact CB-CG 4.32Å; L226-L255 HydrophobicContact CD1-CD2 4.33Å; L226-L255 PolarHBondContact N-O 3.28Å; L226-E257 HydrophobicContact CD1-CB 3.88Å; L226-E257 HydrophobicContact CD2-CB 4.4Å; L226-E257 HydrophobicContact CG-CB 4.06Å
227	E	81.4	Confident	72.3	Confident	51 Å²	51	45.8 Å²	45.8	24%	0.238	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146.1	-178.9	-60.8	171.6	-176.4	0	0	111.8	L231 L254 L255	E227-L231 CarbonylContact C-O 3.56Å; E227-L231 VanDerWaalsContact CA-O 3.24Å; E227-L231 WeakPolarHBondContact CA-O 3.12Å; E227-L254 WeakPolarHBondContact O-CA 3.31Å; E227-L255 HydrophobicContact CB-CB 3.82Å; E227-L255 HydrophobicContact CB-CD2 4.5Å; E227-L255 HydrophobicContact CG-CB 4.28Å; E227-L255 HydrophobicContact CG-CD2 4.05Å; E227-L255 PolarHBondContact O-N 2.8Å
228	I	79.5	Confident	73.1	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.2	172.3	-57	177.5	0	0	0	107.9	I225 G230 L231 V233 L236 V241 L244 L252 L254	I225-I228 HydrophobicContact CG2-CD1 4.41Å; I225-I228 HydrophobicContact CG2-CG1 3.8Å; I228-G230 PolarHBondContact O-N 3.16Å; I228-L231 PolarHBondContact N-O 3.3Å; I228-L231 WeakPolarHBondContact O-CB 3.36Å; I228-L231 PolarHBondContact O-N 3.22Å; I228-V233 HydrophobicContact CD1-CG2 4.23Å; I228-V233 HydrophobicContact CG1-CG2 3.98Å; I228-L236 HydrophobicContact CB-CD1 4.31Å; I228-L236 HydrophobicContact CD1-CD1 4.41Å; I228-V241 HydrophobicContact CD1-CB 4.49Å; I228-V241 HydrophobicContact CD1-CG1 3.89Å; I228-V241 HydrophobicContact CD1-CG2 4.38Å; I228-L244 HydrophobicContact CG2-CB 3.9Å; I228-L244 HydrophobicContact CG2-CD1 4.03Å; I228-L252 HydrophobicContact CG2-CD1 3.78Å; I228-L254 HydrophobicContact CB-CD2 4.28Å; I228-L254 HydrophobicContact CG1-CD2 3.84Å; I228-L254 HydrophobicContact CG2-CD2 4.08Å
229	N	75.4	Confident	73.6	Confident	67 Å²	67	54.9 Å²	54.9	36%	0.358	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	37	-177.5	-63.3	-26.3	0	0	0	114	L231 Q253	N229-L231 VanDerWaalsContact C-N 3.31Å; N229-L231 PolarHBondContact O-N 3.26Å; N229-Q253 PolarHBondContact N-O 3.28Å; N229-Q253 PolarHBondContact OD1-N 3.07Å
230	G	62.4	Low	74	Confident	42 Å²	42	59 Å²	59	43%	0.433	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	3.1	-179.1	0	0	0	0	0	115.1	I228	I228-G230 PolarHBondContact O-N 3.16Å
231	L	74.7	Confident	74.4	Confident	86 Å²	86	56.6 Å²	56.6	45%	0.45	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.1	174.1	-64.7	173.1	0	0	0	110.7	E227 I228 N229 V233 L236	E227-L231 CarbonylContact C-O 3.56Å; E227-L231 VanDerWaalsContact CA-O 3.24Å; E227-L231 WeakPolarHBondContact CA-O 3.12Å; I228-L231 PolarHBondContact N-O 3.3Å; I228-L231 WeakPolarHBondContact O-CB 3.36Å; I228-L231 PolarHBondContact O-N 3.22Å; N229-L231 VanDerWaalsContact C-N 3.31Å; N229-L231 PolarHBondContact O-N 3.26Å; L231-V233 PolarHBondContact O-N 3.11Å; L231-L236 HydrophobicContact CB-CD1 4.41Å; L231-L236 HydrophobicContact CB-CD2 4.38Å; L231-L236 HydrophobicContact CD1-CD2 4.11Å
232	P	75	Confident	74.7	Confident	64 Å²	64	56.1 Å²	56.1	42%	0.416	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	130.6	174.4	-21	31.9	0	0	0	111.2	G234 T235	P232-G234 PolarHBondContact O-N 3.09Å; P232-G234 VanDerWaalsContact O-N 3.11Å; P232-T235 HydrophobicContact CB-CG2 4.42Å; P232-T235 PolarHBondContact O-N 3.08Å; P232-T235 PolarHBondContact O-OG1 2.85Å
233	V	75.6	Confident	75.1	Confident	4 Å²	4	59 Å²	59	2%	0.024	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-59.1	-29.7	-176	167.6	0	0	0	0	113.1	V201 I225 L226 I228 L231 T235 L236	V201-V233 HydrophobicContact CB-CG1 3.72Å; V201-V233 HydrophobicContact CG2-CB 4.49Å; V201-V233 HydrophobicContact CG2-CG1 3.16Å; I225-V233 HydrophobicContact CG2-CG2 4.01Å; I225-V233 WeakPolarHBondContact O-CG2 3.16Å; L226-V233 WeakPolarHBondContact O-CG2 3.27Å; L226-V233 PolarHBondContact O-N 2.84Å; I228-V233 HydrophobicContact CD1-CG2 4.23Å; I228-V233 HydrophobicContact CG1-CG2 3.98Å; L231-V233 PolarHBondContact O-N 3.11Å; V233-T235 PolarHBondContact O-N 2.83Å; V233-T235 VanDerWaalsContact O-N 3.13Å; V233-L236 PolarHBondContact O-N 2.8Å; V233-L236 VanDerWaalsContact O-N 3.14Å
234	G	69.7	Low	75.2	Confident	56 Å²	56	61.2 Å²	61.2	58%	0.577	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-62.7	-16.5	176.2	0	0	0	0	0	114.7	P232	P232-G234 PolarHBondContact O-N 3.09Å; P232-G234 VanDerWaalsContact O-N 3.11Å
235	T	71.6	Confident	75.1	Confident	97 Å²	97	58.3 Å²	58.3	60%	0.595	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-94.9	-7.6	178.9	64.6	0	0	0	0	113.7	P232 V233	P232-T235 HydrophobicContact CB-CG2 4.42Å; P232-T235 PolarHBondContact O-N 3.08Å; P232-T235 PolarHBondContact O-OG1 2.85Å; V233-T235 PolarHBondContact O-N 2.83Å; V233-T235 VanDerWaalsContact O-N 3.13Å
236	L	73.4	Confident	74.6	Confident	14 Å²	14	63.3 Å²	63.3	7%	0.073	34%	0.341	C	S	.	.	S	Bend	trans	-100.6	144	-173.1	-61.3	174.5	0	0	0	112.2	I228 L231 V233 V241 L244	I228-L236 HydrophobicContact CB-CD1 4.31Å; I228-L236 HydrophobicContact CD1-CD1 4.41Å; L231-L236 HydrophobicContact CB-CD1 4.41Å; L231-L236 HydrophobicContact CB-CD2 4.38Å; L231-L236 HydrophobicContact CD1-CD2 4.11Å; V233-L236 PolarHBondContact O-N 2.8Å; V233-L236 VanDerWaalsContact O-N 3.14Å; L236-V241 HydrophobicContact CB-CG2 3.73Å; L236-V241 HydrophobicContact CD1-CG2 4.21Å; L236-L244 HydrophobicContact CD1-CD1 4.05Å; L236-L244 HydrophobicContact CD2-CD1 4.48Å
237	M	74.5	Confident	74.4	Confident	108 Å²	108	65.7 Å²	65.7	53%	0.532	35%	0.35	S	S	.	.			trans	-79.5	155.1	171.1	-64.3	-64.3	171.5	0	0	111.3	R193 K239 E240 V241	R193-M237 PolarHBondContact NH2-SD 3.3Å; R193-M237 VanDerWaalsContact NH2-SD 3.4Å; M237-K239 VanDerWaalsContact C-N 3.29Å; M237-K239 PolarHBondContact O-N 3.47Å; M237-E240 HydrophobicContact CB-CG 4.13Å; M237-E240 PolarHBondContact N-OE2 3.23Å; M237-E240 WeakPolarHBondContact O-CB 3.32Å; M237-E240 PolarHBondContact O-N 3.21Å; M237-V241 PolarHBondContact O-N 3.47Å
238	E	74.4	Confident	73.7	Confident	99 Å²	99	64.6 Å²	64.6	46%	0.463	35%	0.347	S	S	.	.	H	α-helix	trans	-56	-42.5	-177.4	-177.7	177.3	-178.4	0	0	112.5	V191 E240 V241 Y242	V191-E238 HydrophobicContact CB-CG 4.16Å; V191-E238 HydrophobicContact CG2-CG 4Å; E238-E240 PolarHBondContact O-N 3.1Å; E238-V241 PolarHBondContact O-N 3.37Å; E238-Y242 HydrophobicContact CG-CD2 3.86Å; E238-Y242 HydrophobicContact CG-CE2 3.66Å; E238-Y242 WeakPolarHBondContact O-CD2 3.44Å; E238-Y242 PolarHBondContact O-N 3.19Å; E238-Y242 VanDerWaalsContact O-N 3.08Å
239	K	72.3	Confident	72.9	Confident	171 Å²	171	67.9 Å²	67.9	74%	0.743	37%	0.371	S	S	*	.	H	α-helix	trans	-61.8	-41.8	175.6	-70.8	-176.2	178.4	178.1	0	112.3	M237 Y242 D243	M237-K239 VanDerWaalsContact C-N 3.29Å; M237-K239 PolarHBondContact O-N 3.47Å; K239-Y242 PolarHBondContact O-N 3.45Å; K239-D243 WeakPolarHBondContact O-CB 3.36Å; K239-D243 PolarHBondContact O-N 3.36Å
240	E	78.1	Confident	72.6	Confident	89 Å²	89	71.3 Å²	71.3	42%	0.416	38%	0.384	S	S	.	.	H	α-helix	trans	-66.8	-38.7	179.8	-62.9	171.9	156.2	0	0	111.8	M237 E238 D243 L244	M237-E240 HydrophobicContact CB-CG 4.13Å; M237-E240 PolarHBondContact N-OE2 3.23Å; M237-E240 WeakPolarHBondContact O-CB 3.32Å; M237-E240 PolarHBondContact O-N 3.21Å; E238-E240 PolarHBondContact O-N 3.1Å; E240-D243 PolarHBondContact O-N 2.92Å; E240-L244 WeakPolarHBondContact O-CB 3.37Å; E240-L244 WeakPolarHBondContact O-CD1 3.36Å; E240-L244 WeakPolarHBondContact O-CG 3.13Å; E240-L244 PolarHBondContact O-N 3.11Å
241	V	77.4	Confident	73.1	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.006	39%	0.39	C	S	.	.	H	α-helix	trans	-61.9	-46.8	173.7	172.7	0	0	0	0	110.5	V189 V191 V201 I228 L236 M237 E238 L244 V245	V189-V241 HydrophobicContact CG2-CG1 4.08Å; V191-V241 HydrophobicContact CG2-CB 4.41Å; V191-V241 HydrophobicContact CG2-CG1 4.1Å; V201-V241 HydrophobicContact CG1-CG1 4.09Å; V201-V241 HydrophobicContact CG2-CG1 3.97Å; V201-V241 HydrophobicContact CG2-CG2 4.3Å; I228-V241 HydrophobicContact CD1-CB 4.49Å; I228-V241 HydrophobicContact CD1-CG1 3.89Å; I228-V241 HydrophobicContact CD1-CG2 4.38Å; L236-V241 HydrophobicContact CB-CG2 3.73Å; L236-V241 HydrophobicContact CD1-CG2 4.21Å; M237-V241 PolarHBondContact O-N 3.47Å; E238-V241 PolarHBondContact O-N 3.37Å; V241-L244 PolarHBondContact O-N 3.33Å; V241-V245 VanDerWaalsContact O-CG2 3.3Å; V241-V245 WeakPolarHBondContact O-CG2 3.4Å; V241-V245 PolarHBondContact O-N 3.13Å; V241-V245 VanDerWaalsContact O-N 3.15Å
242	Y	76.3	Confident	73.3	Confident	73 Å²	73	69.6 Å²	69.6	29%	0.286	37%	0.369	S	S	.	.	H	α-helix	trans	-63.4	-44.4	177.1	-81.2	-62.3	0	0	0	111.6	V189 V191 E238 K239 V245 H246	V189-Y242 HydrophobicContact CG2-CD1 4.39Å; V189-Y242 HydrophobicContact CG2-CE1 4.08Å; V189-Y242 WeakPolarHBondContact O-CE1 3.48Å; V189-Y242 PolarHBondContact O-OH 2.79Å; V191-Y242 HydrophobicContact CG2-CE2 4.2Å; E238-Y242 HydrophobicContact CG-CD2 3.86Å; E238-Y242 HydrophobicContact CG-CE2 3.66Å; E238-Y242 WeakPolarHBondContact O-CD2 3.44Å; E238-Y242 PolarHBondContact O-N 3.19Å; E238-Y242 VanDerWaalsContact O-N 3.08Å; K239-Y242 PolarHBondContact O-N 3.45Å; Y242-V245 PolarHBondContact O-N 2.84Å; Y242-H246 AromaticContact CD1-CE1 3.86Å; Y242-H246 WeakPolarHBondContact O-CB 3.43Å; Y242-H246 PolarHBondContact O-N 3.19Å; Y242-H246 PolarHBondContact O-ND1 2.98Å
243	D	76.6	Confident	73.4	Confident	85 Å²	85	69.7 Å²	69.7	46%	0.455	36%	0.364	S	S	.	.	H	α-helix	trans	-59.1	-52.8	176.8	-73.1	-23.8	0	0	0	110.5	K239 E240 V245 H246 H247	K239-D243 WeakPolarHBondContact O-CB 3.36Å; K239-D243 PolarHBondContact O-N 3.36Å; E240-D243 PolarHBondContact O-N 2.92Å; D243-V245 VanDerWaalsContact C-N 3.25Å; D243-V245 PolarHBondContact O-N 3.22Å; D243-H246 CarbonylContact O-C 3.59Å; D243-H246 PolarHBondContact O-N 2.91Å; D243-H247 WeakPolarHBondContact O-CB 3.45Å; D243-H247 PolarHBondContact O-N 2.85Å; D243-H247 PolarHBondContact O-ND1 2.81Å
244	L	75.9	Confident	73.6	Confident	50 Å²	50	69.5 Å²	69.5	26%	0.262	36%	0.363	S	S	.	.	H	α-helix	trans	-59.5	-33.9	-178.4	-71.5	167	0	0	0	113.4	I228 L236 E240 V241	I228-L244 HydrophobicContact CG2-CB 3.9Å; I228-L244 HydrophobicContact CG2-CD1 4.03Å; L236-L244 HydrophobicContact CD1-CD1 4.05Å; L236-L244 HydrophobicContact CD2-CD1 4.48Å; E240-L244 WeakPolarHBondContact O-CB 3.37Å; E240-L244 WeakPolarHBondContact O-CD1 3.36Å; E240-L244 WeakPolarHBondContact O-CG 3.13Å; E240-L244 PolarHBondContact O-N 3.11Å; V241-L244 PolarHBondContact O-N 3.33Å
245	V	75.1	Confident	73.9	Confident	3 Å²	3	67 Å²	67	2%	0.018	34%	0.336	C	S	.	.	H	α-helix	trans	-74.8	-35.6	176.1	173.6	0	0	0	0	111.9	R185 F187 V189 V241 Y242 D243	R185-V245 WeakPolarHBondContact CD-O 3.2Å; F187-V245 HydrophobicContact CE1-CG1 4.46Å; F187-V245 HydrophobicContact CE2-CG1 3.9Å; F187-V245 HydrophobicContact CZ-CG1 3.76Å; V189-V245 HydrophobicContact CG1-CG2 4.41Å; V189-V245 HydrophobicContact CG2-CG2 4.2Å; V241-V245 VanDerWaalsContact O-CG2 3.3Å; V241-V245 WeakPolarHBondContact O-CG2 3.4Å; V241-V245 PolarHBondContact O-N 3.13Å; V241-V245 VanDerWaalsContact O-N 3.15Å; Y242-V245 PolarHBondContact O-N 2.84Å; D243-V245 VanDerWaalsContact C-N 3.25Å; D243-V245 PolarHBondContact O-N 3.22Å
246	H	70.9	Confident	74.2	Confident	110 Å²	110	62.4 Å²	62.4	51%	0.509	31%	0.308	S	S	.	.	H	α-helix	trans	-90	-18.7	-176.7	-69.4	80.3	0	0	0	114.2	Y242 D243 T248	Y242-H246 AromaticContact CD1-CE1 3.86Å; Y242-H246 WeakPolarHBondContact O-CB 3.43Å; Y242-H246 PolarHBondContact O-N 3.19Å; Y242-H246 PolarHBondContact O-ND1 2.98Å; D243-H246 CarbonylContact O-C 3.59Å; D243-H246 PolarHBondContact O-N 2.91Å; H246-T248 WeakPolarHBondContact O-CG2 3.35Å; H246-T248 PolarHBondContact O-N 3.43Å
247	H	72.2	Confident	74.5	Confident	109 Å²	109	63.4 Å²	63.4	51%	0.505	31%	0.312	S	S	.	.			trans	-68.4	100.3	172.3	-80.3	82.8	0	0	0	109.5	R185 D243	R185-H247 PolarHBondContact NE-O 3.12Å; R185-H247 PolarHBondContact NH2-O 3.47Å; D243-H247 WeakPolarHBondContact O-CB 3.45Å; D243-H247 PolarHBondContact O-N 2.85Å; D243-H247 PolarHBondContact O-ND1 2.81Å
248	T	66.4	Low	74.4	Confident	28 Å²	28	58.7 Å²	58.7	17%	0.172	29%	0.288	C	S	.	.			trans	-88.7	-6.1	-173.6	60.7	0	0	0	0	114.9	S179 A180 G183 R185 H246	S179-T248 WeakPolarHBondContact CA-O 3.4Å; S179-T248 PolarHBondContact OG-O 3.38Å; A180-T248 HydrophobicContact CB-CG2 4.28Å; A180-T248 PolarHBondContact N-O 2.9Å; G183-T248 WeakPolarHBondContact O-CG2 3.46Å; R185-T248 HydrophobicContact CG-CG2 4.09Å; H246-T248 WeakPolarHBondContact O-CG2 3.35Å; H246-T248 PolarHBondContact O-N 3.43Å
249	S	62.8	Low	74.1	Confident	70 Å²	70	55.5 Å²	55.5	49%	0.49	27%	0.274	S	S	.	.	S	Bend	trans	-71.4	-28.2	-173.9	50.2	0	0	0	0	114.6	S179	S179-S249 WeakPolarHBondContact CB-O 3.4Å; S179-S249 VanDerWaalsContact OG-C 3.29Å; S179-S249 PolarHBondContact OG-O 2.76Å
250	H	69.8	Low	73.6	Confident	138 Å²	138	48.3 Å²	48.3	64%	0.639	25%	0.245	S	C	*	.	S	Bend	trans	-111.4	177.2	-176.2	-63	-67.5	0	0	0	113	R185	R185-H250 PolarHBondContact NH1-O 2.91Å; R185-H250 PolarHBondContact NH2-O 3.08Å
251	T	72.6	Confident	72.6	Confident	91 Å²	91	48.8 Å²	48.8	56%	0.558	25%	0.254	S	S	*	.			trans	-76	132.9	169.2	48.5	0	0	0	0	109.8	M177	M177-T251 CarbonylContact O-C 3.59Å; M177-T251 VanDerWaalsContact O-CA 3.3Å; M177-T251 WeakPolarHBondContact O-CA 3.5Å
252	L	78.9	Confident	71.8	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.5	176.1	179.8	63.6	0	0	0	109.5	M177 F187 I228 L254	M177-L252 HydrophobicContact CB-CB 4.37Å; M177-L252 HydrophobicContact CE-CB 4.29Å; M177-L252 HydrophobicContact CE-CD2 3.62Å; M177-L252 HydrophobicContact CE-CG 3.95Å; M177-L252 PolarHBondContact N-O 3.36Å; M177-L252 PolarHBondContact O-N 2.84Å; F187-L252 HydrophobicContact CE1-CD2 4.33Å; F187-L252 HydrophobicContact CZ-CD2 3.92Å; I228-L252 HydrophobicContact CG2-CD1 3.78Å; L252-L254 HydrophobicContact CD1-CD2 4.13Å; L252-L254 HydrophobicContact CD2-CD1 4.47Å; L252-L254 HydrophobicContact CD2-CD2 4.29Å; L252-L254 HydrophobicContact CD2-CG 4.41Å; L252-L254 HydrophobicContact CG-CD2 4.07Å; L252-L254 HydrophobicContact CG-CG 4.18Å
253	Q	77	Confident	70.8	Confident	66 Å²	66	52.2 Å²	52.2	31%	0.308	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127.8	175.2	-65	-174.5	-32.1	0	0	110.1	I175 N229	I175-Q253 CarbonylContact O-C 3.6Å; I175-Q253 VanDerWaalsContact O-CA 3.31Å; I175-Q253 WeakPolarHBondContact O-CA 3.48Å; N229-Q253 PolarHBondContact N-O 3.28Å; N229-Q253 PolarHBondContact OD1-N 3.07Å
254	L	78.9	Confident	69.9	Low	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130.5	179.2	-59.9	-179.3	0	0	0	110.3	L174 I175 M177 F187 I219 I225 E227 I228 L252 I256	L174-L254 WeakPolarHBondContact CA-O 3.17Å; I175-L254 PolarHBondContact N-O 2.85Å; I175-L254 PolarHBondContact O-N 3.25Å; M177-L254 HydrophobicContact CE-CD1 3.36Å; M177-L254 HydrophobicContact CE-CG 3.84Å; F187-L254 HydrophobicContact CE2-CD1 3.96Å; F187-L254 HydrophobicContact CZ-CD1 3.7Å; I219-L254 HydrophobicContact CD1-CD1 4.43Å; I225-L254 HydrophobicContact CD1-CD1 4.32Å; I225-L254 HydrophobicContact CG2-CD2 4.2Å; E227-L254 WeakPolarHBondContact O-CA 3.31Å; I228-L254 HydrophobicContact CB-CD2 4.28Å; I228-L254 HydrophobicContact CG1-CD2 3.84Å; I228-L254 HydrophobicContact CG2-CD2 4.08Å; L252-L254 HydrophobicContact CD1-CD2 4.13Å; L252-L254 HydrophobicContact CD2-CD1 4.47Å; L252-L254 HydrophobicContact CD2-CD2 4.29Å; L252-L254 HydrophobicContact CD2-CG 4.41Å; L252-L254 HydrophobicContact CG-CD2 4.07Å; L252-L254 HydrophobicContact CG-CG 4.18Å; L254-I256 HydrophobicContact CB-CD1 4.16Å; L254-I256 HydrophobicContact CB-CG1 3.91Å; L254-I256 HydrophobicContact CD1-CD1 4.27Å
255	L	76.4	Confident	68.8	Low	3 Å²	3	57.4 Å²	57.4	2%	0.016	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	114.9	165.3	-172.6	68	0	0	0	108.6	M1 V172 L174 L226 E227	M1-L255 HydrophobicContact CB-CD1 4.37Å; M1-L255 HydrophobicContact CE-CD2 4.29Å; M1-L255 HydrophobicContact CG-CD1 3.72Å; M1-L255 HydrophobicContact CG-CD2 3.64Å; M1-L255 HydrophobicContact CG-CG 4.37Å; V172-L255 HydrophobicContact CG1-CD1 3.76Å; V172-L255 HydrophobicContact CG1-CD2 4.46Å; V172-L255 HydrophobicContact CG1-CG 4.07Å; L174-L255 HydrophobicContact CB-CD1 4.37Å; L174-L255 HydrophobicContact CD1-CB 4.49Å; L174-L255 HydrophobicContact CD1-CD1 4.44Å; L226-L255 HydrophobicContact CB-CB 4.45Å; L226-L255 HydrophobicContact CB-CD2 4.11Å; L226-L255 HydrophobicContact CB-CG 4.32Å; L226-L255 HydrophobicContact CD1-CD2 4.33Å; L226-L255 PolarHBondContact N-O 3.28Å; E227-L255 HydrophobicContact CB-CB 3.82Å; E227-L255 HydrophobicContact CB-CD2 4.5Å; E227-L255 HydrophobicContact CG-CB 4.28Å; E227-L255 HydrophobicContact CG-CD2 4.05Å; E227-L255 PolarHBondContact O-N 2.8Å
256	I	79.3	Confident	67.8	Low	1 Å²	1	60.2 Å²	60.2	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130.7	-172.8	-55.1	-167.9	0	0	0	110.3	V172 T173 I175 I219 D223 R224 L254	V172-I256 CarbonylContact C-O 3.57Å; V172-I256 WeakPolarHBondContact CA-O 3.45Å; T173-I256 PolarHBondContact N-O 3.36Å; T173-I256 PolarHBondContact O-N 3.39Å; I175-I256 HydrophobicContact CD1-CD1 3.6Å; I175-I256 HydrophobicContact CD1-CG1 4.24Å; I219-I256 HydrophobicContact CD1-CD1 4.07Å; I219-I256 HydrophobicContact CG1-CD1 3.75Å; D223-I256 HydrophobicContact CB-CG2 3.45Å; D223-I256 VanDerWaalsContact CB-CG2 3.45Å; R224-I256 CarbonylContact O-C 3.57Å; R224-I256 WeakPolarHBondContact O-CA 3.48Å; L254-I256 HydrophobicContact CB-CD1 4.16Å; L254-I256 HydrophobicContact CB-CG1 3.91Å; L254-I256 HydrophobicContact CD1-CD1 4.27Å
257	E	79.2	Confident	66.9	Low	35 Å²	35	60 Å²	60	16%	0.164	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.7	173.2	179.7	-175.9	-141	0	0	110.3	H170 V172 R224 L226	H170-E257 IonicContact CE1-OE1 3.36Å; H170-E257 PolarHBondContact CE1-OE1 3Å; H170-E257 VanDerWaalsContact CE1-OE1 3.31Å; H170-E257 IonicContact NE2-OE1 2.93Å; V172-E257 HydrophobicContact CG2-CB 4.42Å; V172-E257 HydrophobicContact CG2-CG 4.26Å; R224-E257 HydrophobicContact CB-CB 4.41Å; R224-E257 PolarHBondContact N-O 2.81Å; R224-E257 VanDerWaalsContact N-O 3.09Å; R224-E257 PolarHBondContact O-N 3.39Å; L226-E257 HydrophobicContact CD1-CB 3.88Å; L226-E257 HydrophobicContact CD2-CB 4.4Å; L226-E257 HydrophobicContact CG-CB 4.06Å
258	Y	72.8	Confident	65.9	Low	9 Å²	9	61.1 Å²	61.1	4%	0.035	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	111.9	169.5	-179.4	-96	0	0	0	109.3	L165 L168 H170 T171 D223 P260	L165-Y258 HydrophobicContact CD2-CE2 4.45Å; L165-Y258 PolarHBondContact O-OH 3.46Å; L168-Y258 HydrophobicContact CB-CD1 4Å; L168-Y258 HydrophobicContact CB-CE1 3.25Å; L168-Y258 HydrophobicContact CD1-CE1 4.01Å; L168-Y258 HydrophobicContact CD1-CE2 4.37Å; L168-Y258 HydrophobicContact CG-CE1 4.28Å; H170-Y258 WeakPolarHBondContact CA-O 3.31Å; H170-Y258 PolarHBondContact ND1-O 3.19Å; T171-Y258 PolarHBondContact N-O 2.73Å; T171-Y258 VanDerWaalsContact N-O 3.08Å; T171-Y258 PolarHBondContact O-N 3.25Å; D223-Y258 WeakPolarHBondContact OD1-CD2 3.49Å; Y258-P260 HydrophobicContact CE1-CB 3.91Å; Y258-P260 HydrophobicContact CE1-CG 4.28Å
259	D	68.2	Low	65	Low	32 Å²	32	69.3 Å²	69.3	17%	0.171	33%	0.334	C	S	.	.			trans	-116.6	102.4	175.3	-177.5	-3.4	0	0	0	110.7	V261 R262 Q263	D259-V261 VanDerWaalsContact C-N 3.26Å; D259-V261 PolarHBondContact O-N 2.65Å; D259-V261 WeakPolarHBondContact OD1-CB 3.26Å; D259-V261 PolarHBondContact OD1-N 3.39Å; D259-R262 HydrophobicContact CB-CB 4.1Å; D259-R262 PolarHBondContact O-N 3.43Å; D259-R262 PolarHBondContact OD1-N 3.48Å; D259-R262 WeakPolarHBondContact OD2-CB 3.22Å; D259-R262 WeakPolarHBondContact OD2-CD 3.3Å; D259-R262 WeakPolarHBondContact OD2-CG 3.36Å; D259-Q263 PolarHBondContact O-N 2.8Å; D259-Q263 VanDerWaalsContact O-N 3.16Å
260	P	61.1	Low	64.2	Low	20 Å²	20	72.7 Å²	72.7	13%	0.13	35%	0.346	C	S	.	.	H	α-helix	trans	-68.1	-23.7	-178.1	30	-38.2	0	0	0	113.1	L168 Y258 R264	L168-P260 VanDerWaalsContact O-CG 3.29Å; L168-P260 WeakPolarHBondContact O-CG 3.2Å; Y258-P260 HydrophobicContact CE1-CB 3.91Å; Y258-P260 HydrophobicContact CE1-CG 4.28Å; P260-R264 PolarHBondContact O-N 2.99Å
261	V	56.4	Low	62.6	Low	99 Å²	99	69 Å²	69	60%	0.6	35%	0.345	S	S	*	.	H	α-helix	trans	-76.6	-42.4	-179.3	-179.1	0	0	0	0	109.8	D259 R264 M265	D259-V261 VanDerWaalsContact C-N 3.26Å; D259-V261 PolarHBondContact O-N 2.65Å; D259-V261 WeakPolarHBondContact OD1-CB 3.26Å; D259-V261 PolarHBondContact OD1-N 3.39Å; V261-R264 WeakPolarHBondContact O-CB 3.38Å; V261-R264 PolarHBondContact O-N 2.92Å; V261-M265 VanDerWaalsContact O-CG 3.26Å; V261-M265 WeakPolarHBondContact O-CG 3.48Å; V261-M265 PolarHBondContact O-N 2.86Å; V261-M265 VanDerWaalsContact O-N 3.16Å
262	R	60.2	Low	61	Low	115 Å²	115	69.7 Å²	69.7	43%	0.434	35%	0.354	S	S	.	.	H	α-helix	trans	-66.1	-44.8	174.4	-97.6	179	149.8	169.2	-2.5	113.2	D259 R264 M265 D266	D259-R262 HydrophobicContact CB-CB 4.1Å; D259-R262 PolarHBondContact O-N 3.43Å; D259-R262 PolarHBondContact OD1-N 3.48Å; D259-R262 WeakPolarHBondContact OD2-CB 3.22Å; D259-R262 WeakPolarHBondContact OD2-CD 3.3Å; D259-R262 WeakPolarHBondContact OD2-CG 3.36Å; R262-R264 PolarHBondContact O-N 2.87Å; R262-M265 CarbonylContact O-C 3.52Å; R262-M265 WeakPolarHBondContact O-CA 3.33Å; R262-M265 WeakPolarHBondContact O-CB 3.34Å; R262-M265 PolarHBondContact O-N 3.26Å; R262-D266 PolarHBondContact O-N 2.75Å
263	Q	56.9	Low	58.9	Low	31 Å²	31	75.5 Å²	75.5	15%	0.145	39%	0.392	C	S	.	.	H	α-helix	trans	-58.5	-34.7	177.1	-76.2	-170.8	-9.5	0	0	112	G222 D259 Q267	G222-Q263 PolarHBondContact O-NE2 3.11Å; D259-Q263 PolarHBondContact O-N 2.8Å; D259-Q263 VanDerWaalsContact O-N 3.16Å; Q263-Q267 PolarHBondContact O-N 3.03Å; Q263-Q267 VanDerWaalsContact O-N 3.08Å
264	R	56.8	Low	56.8	Low	142 Å²	142	76 Å²	76	54%	0.536	41%	0.414	S	S	.	.	H	α-helix	trans	-65.5	-39.9	172.5	-158	-175.7	-66.5	-173	-2	112	P260 V261 R262 L268	P260-R264 PolarHBondContact O-N 2.99Å; V261-R264 WeakPolarHBondContact O-CB 3.38Å; V261-R264 PolarHBondContact O-N 2.92Å; R262-R264 PolarHBondContact O-N 2.87Å; R264-L268 WeakPolarHBondContact O-CD1 3.25Å; R264-L268 VanDerWaalsContact O-CG 3.24Å; R264-L268 WeakPolarHBondContact O-CG 3.42Å; R264-L268 PolarHBondContact O-N 3.33Å
265	M	52.8	Low	54.5	Low	102 Å²	102	84 Å²	84	50%	0.502	46%	0.457	S	S	.	.	H	α-helix	trans	-71	-38.6	177.1	-61.8	-118.1	80.8	0	0	112.7	V261 R262 L268 R269	V261-M265 VanDerWaalsContact O-CG 3.26Å; V261-M265 WeakPolarHBondContact O-CG 3.48Å; V261-M265 PolarHBondContact O-N 2.86Å; V261-M265 VanDerWaalsContact O-N 3.16Å; R262-M265 CarbonylContact O-C 3.52Å; R262-M265 WeakPolarHBondContact O-CA 3.33Å; R262-M265 WeakPolarHBondContact O-CB 3.34Å; R262-M265 PolarHBondContact O-N 3.26Å; M265-L268 PolarHBondContact O-N 2.83Å; M265-R269 WeakPolarHBondContact O-CG 3.49Å; M265-R269 PolarHBondContact O-N 3.24Å; M265-R269 VanDerWaalsContact O-N 3.07Å
266	D	53.8	Low	52.3	Low	63 Å²	63	92.3 Å²	92.3	34%	0.337	50%	0.496	S	S	.	.	H	α-helix	trans	-72.2	-35.7	-180	-74.3	-21.7	0	0	0	111.9	R262 R269 L270	R262-D266 PolarHBondContact O-N 2.75Å; D266-R269 CarbonylContact O-C 3.56Å; D266-R269 PolarHBondContact O-N 3.34Å; D266-R269 VanDerWaalsContact O-N 3.17Å; D266-L270 VanDerWaalsContact O-CD1 3.31Å; D266-L270 WeakPolarHBondContact O-CD1 3.13Å; D266-L270 PolarHBondContact O-N 3.3Å
267	Q	53.3	Low	50	Low	105 Å²	105	101.1 Å²	101.1	49%	0.491	54%	0.542	S	S	.	.	H	α-helix	trans	-66	-38.9	170.5	-78.9	-173.7	10.5	0	0	112.8	Y166 Q263 R269 L270 G271	Y166-Q267 PolarHBondContact OH-NE2 3.5Å; Y166-Q267 VanDerWaalsContact OH-NE2 3.14Å; Y166-Q267 PolarHBondContact OH-OE1 3.11Å; Q263-Q267 PolarHBondContact O-N 3.03Å; Q263-Q267 VanDerWaalsContact O-N 3.08Å; Q267-R269 PolarHBondContact O-N 3.39Å; Q267-L270 PolarHBondContact O-N 3Å; Q267-G271 PolarHBondContact O-N 2.93Å
268	L	49.5	Very low	47.6	Very low	133 Å²	133	103.2 Å²	103.2	70%	0.696	57%	0.573	S	S	*	*	H	α-helix	trans	-64.9	-24.6	173.2	-72.7	167	0	0	0	112	R264 M265	R264-L268 WeakPolarHBondContact O-CD1 3.25Å; R264-L268 VanDerWaalsContact O-CG 3.24Å; R264-L268 WeakPolarHBondContact O-CG 3.42Å; R264-L268 PolarHBondContact O-N 3.33Å; M265-L268 PolarHBondContact O-N 2.83Å
269	R	48.1	Very low	45.4	Very low	200 Å²	200	109.4 Å²	109.4	76%	0.755	61%	0.611	S	S	*	*	H	α-helix	trans	-87.4	-33.3	175.4	-73.6	179.7	174.2	-156.4	-1.3	113.9	M265 D266 Q267	M265-R269 WeakPolarHBondContact O-CG 3.49Å; M265-R269 PolarHBondContact O-N 3.24Å; M265-R269 VanDerWaalsContact O-N 3.07Å; D266-R269 CarbonylContact O-C 3.56Å; D266-R269 PolarHBondContact O-N 3.34Å; D266-R269 VanDerWaalsContact O-N 3.17Å; Q267-R269 PolarHBondContact O-N 3.39Å
270	L	46.2	Very low	44	Very low	140 Å²	140	113.2 Å²	113.2	73%	0.733	64%	0.638	S	S	*	*	H	α-helix	trans	-85.9	-9.5	177.1	-91.8	93.5	0	0	0	114	D266 Q267 S272	D266-L270 VanDerWaalsContact O-CD1 3.31Å; D266-L270 WeakPolarHBondContact O-CD1 3.13Å; D266-L270 PolarHBondContact O-N 3.3Å; Q267-L270 PolarHBondContact O-N 3Å; L270-S272 PolarHBondContact O-N 3.47Å; L270-S272 VanDerWaalsContact O-N 3.07Å
271	G	35.4	Very low	42.4	Very low	61 Å²	61	116 Å²	116	63%	0.629	66%	0.663	S	S	*	*	S	Bend	trans	-73.4	19.7	176.2	0	0	0	0	0	115.9	Q267	Q267-G271 PolarHBondContact O-N 2.93Å
272	S	39	Very low	40.9	Very low	105 Å²	105	117.7 Å²	117.7	73%	0.734	67%	0.673	S	S	*	*			trans	-143	107.9	170.9	-79.5	0	0	0	0	111.2	L270	L270-S272 PolarHBondContact O-N 3.47Å; L270-S272 VanDerWaalsContact O-N 3.07Å
273	P	36.1	Very low	39.4	Very low	124 Å²	124	116.5 Å²	116.5	81%	0.805	68%	0.683	S	S	*	*				-125.9	126.8	122.6	12.9	6.6	0	0	0	109.9
274	G	33	Very low	38.1	Very low	75 Å²	75	125.4 Å²	125.4	77%	0.773	72%	0.715	S	S	*	*			trans	-61.6	145.1	-177.9	0	0	0	0	0	113.3
275	N	29.5	Very low	36.7	Very low	168 Å²	168	126 Å²	126	90%	0.898	73%	0.726	S	S	*	*			trans	-134.4	117.7	141.2	-125.6	0.8	0	0	0	108.6
276	Q	31.8	Very low	35.4	Very low	179 Å²	179	131.6 Å²	131.6	84%	0.836	74%	0.741	S	S	*	*			trans	-60.4	140.3	167.5	-64.8	172.6	-10.2	0	0	109
277	L	30.6	Very low	34.1	Very low	185 Å²	185	136.2 Å²	136.2	97%	0.969	77%	0.765	S	S	*	*			trans	171.4	119.8	132	-90.3	152.6	0	0	0	109.9
278	G	28.2	Very low	32.7	Very low	80 Å²	80	136.3 Å²	136.3	83%	0.825	78%	0.778	S	S	*	*			trans	114	84.4	155.3	0	0	0	0	0	118
279	V	27.5	Very low	31.7	Very low	138 Å²	138	135.1 Å²	135.1	84%	0.836	78%	0.78	S	S	*	*			trans	-65.5	162.8	147.5	-142.1	0	0	0	0	107.4
280	P	39	Very low	31.2	Very low	113 Å²	113	130.9 Å²	130.9	73%	0.734	78%	0.778	S	S	*	*			cis	-148.7	162.3	18.3	43.8	-22.8	0	0	0	120.6
281	A	26	Very low	30.2	Very low	78 Å²	78	129 Å²	129	65%	0.645	78%	0.777	S	S	*	*				74.9	136.1	129.9	0	0	0	0	0	124.5
282	T	26.1	Very low	29.7	Very low	134 Å²	134	133.4 Å²	133.4	82%	0.822	79%	0.786	S	S	*	*			trans	78.1	138.2	158	78.5	0	0	0	0	115.1
283	S	27.2	Very low	29.1	Very low	91 Å²	91	135.6 Å²	135.6	64%	0.636	80%	0.795	S	S	*	*			cis	-168.8	145.9	12	-124.1	0	0	0	0	108
284	R	30.3	Very low	28.6	Very low	218 Å²	218	135.9 Å²	135.9	82%	0.823	79%	0.794	S	S	*	*			trans	52.2	133.9	136.5	-71.3	178.9	-179.4	175.7	1.3	119.1
285	M	27.1	Very low	28.2	Very low	155 Å²	155	140.6 Å²	140.6	76%	0.764	80%	0.801	S	S	*	*			cis	-158.2	144	15.4	-74.2	-147.1	-177.2	0	0	111.1
286	R	26.6	Very low	27.9	Very low	218 Å²	218	140.5 Å²	140.5	82%	0.823	80%	0.795	S	S	*	*			trans	21.6	123.1	137	-66	-176.5	-168.9	-161.9	1.8	119.2
287	L	25.2	Very low	27.6	Very low	160 Å²	160	142.4 Å²	142.4	84%	0.838	80%	0.795	S	S	*	*				60.2	127.7	77.6	-72.5	150.9	0	0	0	110.9
288	S	23.7	Very low	27.3	Very low	108 Å²	108	138.7 Å²	138.7	76%	0.755	78%	0.78	S	S	*	*				-173.9	149.3	55.9	-34.6	0	0	0	0	110.5
289	S	28.7	Very low	27.2	Very low	107 Å²	107	141.3 Å²	141.3	75%	0.748	78%	0.775	S	S	*	*			trans	-64.2	178.2	149.6	-36.4	0	0	0	0	109.7
290	P	37.8	Very low	27	Very low	111 Å²	111	142.5 Å²	142.5	72%	0.721	77%	0.772	S	S	*	*			cis	-158.6	177.6	43.2	39.3	-13.2	0	0	0	119.2
291	S	24.9	Very low	26.4	Very low	100 Å²	100	142.9 Å²	142.9	70%	0.699	77%	0.772	S	S	*	*			trans	61.4	128.4	137.2	51.5	0	0	0	0	125
292	D	25.8	Very low	26.3	Very low	154 Å²	154	146.4 Å²	146.4	82%	0.824	78%	0.78	S	S	*	*			trans	34.5	126.6	133.9	-69.9	-19.3	0	0	0	121.9
293	T	26.7	Very low	26.3	Very low	151 Å²	151	147.2 Å²	147.2	93%	0.926	78%	0.779	S	S	*	*				-162.3	145.3	129	35.5	0	0	0	0	112.8
294	V	24.8	Very low	26.2	Very low	130 Å²	130	145.5 Å²	145.5	79%	0.788	78%	0.776	S	S	*	*			trans	-71.3	149.7	176	171.2	0	0	0	0	112.7
295	L	25.7	Very low	26.2	Very low	174 Å²	174	143 Å²	143	91%	0.911	78%	0.775	S	S	*	*			trans	-173	133.9	139	-101.8	155.6	0	0	0	113.3
296	E	22.6	Very low	26.2	Very low	167 Å²	167	142 Å²	142	78%	0.78	77%	0.772	S	S	*	*			trans	-85	175.3	172	-71.5	-173	137.7	0	0	113.4
297	R	26.2	Very low	26.4	Very low	218 Å²	218	141 Å²	141	82%	0.823	77%	0.774	S	S	*	*			trans	102.8	107.4	161	-74.9	-168.7	-164.2	150.9	7.2	116.4
298	T	24	Very low	26.5	Very low	108 Å²	108	144.4 Å²	144.4	66%	0.663	78%	0.776	S	S	*	*				92.3	137.7	68	58.5	0	0	0	0	113
299	D	24.7	Very low	26.7	Very low	134 Å²	134	151.2 Å²	151.2	72%	0.717	79%	0.785	S	S	*	*			trans	71.4	146.4	158.2	-46.2	-33	0	0	0	117.6
300	E	24.2	Very low	26.5	Very low	164 Å²	164	151 Å²	151	77%	0.766	78%	0.783	S	S	*	*			cis	-173.5	150.6	-13.6	-111.8	-171.7	173.2	0	0	105.3
301	V	25.7	Very low	26.2	Very low	121 Å²	121	153.1 Å²	153.1	73%	0.733	79%	0.788	S	S	*	*			trans	55.6	117.8	146.6	-169.2	0	0	0	0	120.2
302	D	24.8	Very low	26.2	Very low	152 Å²	152	155 Å²	155	81%	0.813	79%	0.79	S	S	*	*				174.6	158.4	98.6	-154.5	18.3	0	0	0	113.9
303	D	25	Very low	26.3	Very low	151 Å²	151	157.8 Å²	157.8	81%	0.807	79%	0.789	S	S	*	*			trans	-54.6	166.8	-168.7	-164.7	24	0	0	0	120.2
304	G	27.1	Very low	26.2	Very low	55 Å²	55	162.5 Å²	162.5	57%	0.567	79%	0.79	S	S	*	*			trans	128.8	92.3	141	0	0	0	0	0	120.7
305	M	28.8	Very low	26.3	Very low	165 Å²	165	160.3 Å²	160.3	81%	0.813	78%	0.78	S	S	*	*			trans	89.2	110.4	132	-73.8	171.9	59.9	0	0	123.6
306	L	28.7	Very low	26.3	Very low	135 Å²	135	160.1 Å²	160.1	71%	0.707	78%	0.78	S	S	*	*				80.9	113.4	123.3	-62.3	176.2	0	0	0	121.7
307	K	29.2	Very low	26.5	Very low	197 Å²	197	157.2 Å²	157.2	86%	0.857	78%	0.778	S	S	*	*				-179.9	119.6	93	-99.4	177.3	-176.9	168.3	0	113.9
308	R	27.1	Very low	26.5	Very low	230 Å²	230	154.8 Å²	154.8	87%	0.868	78%	0.78	S	S	*	*			trans	9	134.4	142.3	-80.6	177.9	171.6	-167.4	-2	119.7
309	R	27.9	Very low	26.6	Very low	251 Å²	251	154.7 Å²	154.7	95%	0.947	78%	0.783	S	S	*	*				-158.1	130.8	101.8	-102.2	172.8	-174.7	-175.3	1.8	111.5
310	S	25.4	Very low	26.8	Very low	103 Å²	103	158.1 Å²	158.1	72%	0.72	79%	0.791	S	S	*	*			trans	-108.4	178.9	177.7	-54.2	0	0	0	0	110.9
311	L	30.4	Very low	26.9	Very low	155 Å²	155	155.8 Å²	155.8	81%	0.812	79%	0.793	S	S	*	*			trans	104.8	132.3	160.2	-52.6	178.1	0	0	0	113.1
312	N	25.8	Very low	27.4	Very low	141 Å²	141	155.3 Å²	155.3	75%	0.754	79%	0.792	S	S	*	*			cis	-159.9	149.9	19.3	-125.9	-5.6	0	0	0	113
313	R	26.8	Very low	27.4	Very low	212 Å²	212	155.6 Å²	155.6	80%	0.8	79%	0.794	S	S	*	*			trans	-88.9	147.3	171.6	-137.4	-178.5	-161.3	-127	6.5	109.2
314	R	26.2	Very low	27.3	Very low	250 Å²	250	153.2 Å²	153.2	94%	0.943	79%	0.789	S	S	*	*			trans	-143.6	125.2	147.8	-83.1	-164.6	177.3	176.6	-0.9	111
315	S	25.4	Very low	27.2	Very low	84 Å²	84	157.4 Å²	157.4	59%	0.587	80%	0.798	S	S	*	*			trans	-87.9	163.9	168.6	-42.9	0	0	0	0	110
316	N	25.4	Very low	27	Very low	169 Å²	169	157.9 Å²	157.9	90%	0.904	80%	0.795	S	S	*	*			trans	-167.1	130.7	132.6	-94.8	-11.7	0	0	0	111.5
317	S	26.9	Very low	26.8	Very low	106 Å²	106	160.2 Å²	160.2	74%	0.741	80%	0.802	S	S	*	*			trans	-89.5	156.9	161.7	64.8	0	0	0	0	110.1
318	I	27.8	Very low	26.8	Very low	167 Å²	167	155.5 Å²	155.5	86%	0.856	80%	0.801	S	S	*	*			trans	-162.3	136.4	136.9	-92.2	143.9	0	0	0	108.2
319	C	25.8	Very low	26.8	Very low	107 Å²	107	149.6 Å²	149.6	72%	0.723	79%	0.792	S	S	*	*			trans	-89.8	153.8	174.2	43.4	0	0	0	0	111.9
320	K	27.7	Very low	26.9	Very low	205 Å²	205	145.4 Å²	145.4	89%	0.891	79%	0.787	S	S	*	*			trans	175.1	129.8	141.4	-96.4	166.4	-172.7	-171.7	0	111.4
321	S	26.3	Very low	26.9	Very low	115 Å²	115	146.5 Å²	146.5	80%	0.804	78%	0.783	S	S	*	*			trans	-101.1	169.1	158.7	-41.9	0	0	0	0	107.9
322	P	37	Very low	27	Very low	111 Å²	111	145.3 Å²	145.3	72%	0.721	78%	0.783	S	S	*	*			cis	-150	173.7	47.8	38.2	-14.7	0	0	0	119.3
323	N	23.5	Very low	27.3	Very low	158 Å²	158	149.7 Å²	149.7	85%	0.845	79%	0.788	S	S	*	*			trans	84.8	115.3	150.5	-73.9	-0.8	0	0	0	124.4
324	S	24.6	Very low	27.3	Very low	102 Å²	102	147 Å²	147	71%	0.713	79%	0.79	S	S	*	*				96.7	120.2	123.2	-154.2	0	0	0	0	122.9
325	L	23.8	Very low	27.8	Very low	142 Å²	142	143.4 Å²	143.4	74%	0.743	79%	0.788	S	S	*	*			trans	72.2	127.3	144.1	-72	164.4	0	0	0	123
326	K	24.9	Very low	28	Very low	175 Å²	175	142.8 Å²	142.8	76%	0.761	79%	0.794	S	S	*	*			trans	69	110.6	142.3	-71.6	-180	-180	-176.7	0	119
327	E	23.9	Very low	28.3	Very low	184 Å²	184	146.1 Å²	146.1	86%	0.86	79%	0.794	S	S	*	*				158.7	139.7	106.6	-101.7	167	-172.5	0	0	110.8
328	A	29.8	Very low	28.8	Very low	99 Å²	99	146.7 Å²	146.7	82%	0.818	80%	0.798	S	S	*	*			trans	-71.5	147.3	177	0	0	0	0	0	111.4
329	P	26.4	Very low	28.8	Very low	105 Å²	105	147.1 Å²	147.1	68%	0.682	80%	0.797	S	S	*	*			trans	-114.7	124.8	151.6	30.6	-17.6	0	0	0	111.2	I331	P329-I331 PolarHBondContact O-N 3.25Å
330	I	30.9	Very low	29.5	Very low	164 Å²	164	147.4 Å²	147.4	84%	0.841	80%	0.799	S	S	*	*			trans	-52.8	122.8	155.7	-64.6	160.7	0	0	0	107.9
331	I	26.3	Very low	29.6	Very low	125 Å²	125	144.1 Å²	144.1	64%	0.641	79%	0.791	S	S	*	*			trans	-131.9	102	164.8	-61.5	-179.1	0	0	0	108.3	P329 R333	P329-I331 PolarHBondContact O-N 3.25Å; I331-R333 HydrophobicContact CG2-CB 4.33Å; I331-R333 PolarHBondContact O-N 3.26Å
332	T	32.7	Very low	30.2	Very low	131 Å²	131	150.1 Å²	150.1	80%	0.804	80%	0.796	S	S	*	*			trans	-50.9	123.3	150.1	41.9	0	0	0	0	109.2
333	R	30.8	Very low	29.7	Very low	232 Å²	232	149.5 Å²	149.5	88%	0.875	80%	0.795	S	S	*	*			trans	-142.2	113.4	166.6	-141.7	171.6	165.5	149.2	-4.3	111.2	I331	I331-R333 HydrophobicContact CG2-CB 4.33Å; I331-R333 PolarHBondContact O-N 3.26Å
334	D	27.3	Very low	30.4	Very low	156 Å²	156	147.6 Å²	147.6	83%	0.834	79%	0.794	S	S	*	*			trans	-62.3	152.2	176	-78.7	-52.6	0	0	0	113.1	G336	D334-G336 PolarHBondContact O-N 3.28Å
335	I	37.6	Very low	31	Very low	175 Å²	175	148 Å²	148	90%	0.897	80%	0.796	S	S	*	*			trans	-53.8	122.7	174.9	-71.6	114.5	0	0	0	111.9
336	G	28	Very low	31.8	Very low	70 Å²	70	146.9 Å²	146.9	72%	0.722	80%	0.8	S	S	*	*			trans	-147.1	133.2	167.7	0	0	0	0	0	110	D334	D334-G336 PolarHBondContact O-N 3.28Å
337	R	32.8	Very low	32.7	Very low	240 Å²	240	141.7 Å²	141.7	91%	0.906	79%	0.785	S	S	*	*			trans	-62.6	145.7	-168.2	-71.9	172.5	160.9	110.3	-4.2	114
338	S	37.6	Very low	34.3	Very low	117 Å²	117	137.7 Å²	137.7	82%	0.818	78%	0.777	S	S	*	*			trans	64.5	91.3	156.7	37.5	0	0	0	0	118.1
339	E	28	Very low	36.5	Very low	177 Å²	177	135.5 Å²	135.5	83%	0.827	75%	0.75	S	S	*	*			trans	-133.2	123.1	145.6	-80.9	-169.9	162.4	0	0	110.8	L341	E339-L341 PolarHBondContact O-N 3.03Å
340	S	39.9	Very low	39.3	Very low	112 Å²	112	133.3 Å²	133.3	78%	0.783	73%	0.729	S	S	*	*			trans	-70.2	103.6	170.5	157.8	0	0	0	0	109
341	L	30.6	Very low	41.9	Very low	136 Å²	136	132.2 Å²	132.2	71%	0.712	72%	0.723	S	S	*	*			trans	-109.7	95.2	168.1	-67	175.6	0	0	0	109.4	E339 S343	E339-L341 PolarHBondContact O-N 3.03Å; L341-S343 PolarHBondContact O-N 2.89Å
342	R	38.3	Very low	44.8	Very low	241 Å²	241	126.6 Å²	126.6	91%	0.909	69%	0.694	S	S	*	*			trans	-68.5	80.3	153.4	-70.7	-174	-178.8	-166.4	0.5	107.7
343	S	26.9	Very low	47.3	Very low	99 Å²	99	128.1 Å²	128.1	69%	0.692	69%	0.685	S	S	*	*			trans	-87.8	101.5	162.6	-65.4	0	0	0	0	107.5	L341 S345	L341-S343 PolarHBondContact O-N 2.89Å; S343-S345 PolarHBondContact O-N 3.5Å
344	S	36.9	Very low	50	Low	118 Å²	118	119.4 Å²	119.4	83%	0.825	66%	0.658	S	S	*	*			trans	-78.9	102.4	166.8	-75.6	0	0	0	0	108.6
345	S	37.4	Very low	52.9	Low	110 Å²	110	115.6 Å²	115.6	77%	0.769	64%	0.643	S	S	*	*	S	Bend	trans	-175	122.1	141.8	-74.7	0	0	0	0	110.1	S343	S343-S345 PolarHBondContact O-N 3.5Å
346	S	40	Very low	55.3	Low	118 Å²	118	109.4 Å²	109.4	83%	0.825	61%	0.612	S	S	*	*	S	Bend	trans	83.9	126.7	178	77.7	0	0	0	0	117.9	S348	S346-S348 PolarHBondContact O-N 2.97Å
347	C	44.6	Very low	58.4	Low	67 Å²	67	106.3 Å²	106.3	45%	0.453	58%	0.579	S	S	.	*			trans	-54.5	116	-164.5	-171.3	0	0	0	0	113.9	H349	C347-H349 PolarHBondContact O-N 3.1Å
348	S	57.2	Low	61.3	Low	99 Å²	99	99.1 Å²	99.1	69%	0.692	56%	0.557	S	S	*	*			trans	-66.4	109	166.6	59.2	0	0	0	0	108.5	S346 R350	S346-S348 PolarHBondContact O-N 2.97Å; S348-R350 WeakPolarHBondContact O-CG 3.48Å; S348-R350 PolarHBondContact O-N 3.46Å
349	H	76.9	Confident	64	Low	53 Å²	53	97.6 Å²	97.6	25%	0.245	54%	0.537	C	S	.	.			trans	-39	130.4	173.4	-55	94.8	0	0	0	112	C347 R407 F417 I418	C347-H349 PolarHBondContact O-N 3.1Å; H349-R407 HydrophobicContact CB-CG 4.23Å; H349-R407 PolarHBondContact CE1-O 2.82Å; H349-R407 PolarHBondContact ND1-NE 3.21Å; H349-R407 PolarHBondContact NE2-O 2.91Å; H349-F417 HydrophobicContact CB-CE1 4.22Å; H349-F417 AromaticContact CD2-CD1 3.38Å; H349-F417 WeakPolarHBondContact CD2-CD1 3.32Å; H349-F417 AromaticContact CD2-CE1 3.85Å; H349-F417 PolarHBondContact CD2-O 3.21Å; H349-I418 WeakPolarHBondContact CA-O 3.3Å
350	R	84.9	Confident	67	Low	60 Å²	60	91.3 Å²	91.3	23%	0.226	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	150.8	-167.8	-68.4	173.6	-76	179.4	-5.9	111.6	S348 F352 E381 I418 G419 V420	S348-R350 WeakPolarHBondContact O-CG 3.48Å; S348-R350 PolarHBondContact O-N 3.46Å; R350-F352 HydrophobicContact CB-CD2 4.27Å; R350-F352 HydrophobicContact CB-CE1 4.3Å; R350-F352 HydrophobicContact CB-CE2 3.7Å; R350-F352 HydrophobicContact CB-CZ 3.73Å; R350-F352 HydrophobicContact CG-CZ 4.48Å; R350-E381 IonicContact CZ-OE1 3.67Å; R350-E381 IonicContact CZ-OE2 2.78Å; R350-E381 IonicContact NH1-OE2 3.61Å; R350-E381 PolarHBondContact NH1-OE2 3.47Å; R350-E381 IonicContact NH2-OE1 2.61Å; R350-E381 PolarHBondContact NH2-OE1 2.81Å; R350-E381 IonicContact NH2-OE2 3.84Å; R350-E381 PolarHBondContact NH2-OE2 2.93Å; R350-I418 PolarHBondContact N-O 3.27Å; R350-G419 CarbonylContact O-C 3.58Å; R350-G419 WeakPolarHBondContact O-CA 3.38Å; R350-V420 PolarHBondContact O-N 2.63Å
351	I	84.9	Confident	69.5	Low	141 Å²	141	91.2 Å²	91.2	72%	0.723	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	119.7	165.7	-59.5	175.5	0	0	0	106	V420	I351-V420 WeakPolarHBondContact CA-O 3.28Å; I351-V420 HydrophobicContact CG1-CG2 4.07Å
352	F	86.8	Confident	72.3	Confident	7 Å²	7	88 Å²	88	3%	0.031	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	143.9	-179.9	-61.7	-87.1	0	0	0	110.3	R350 L357 H376 M383 I418 V420 L421 I430	R350-F352 HydrophobicContact CB-CD2 4.27Å; R350-F352 HydrophobicContact CB-CE1 4.3Å; R350-F352 HydrophobicContact CB-CE2 3.7Å; R350-F352 HydrophobicContact CB-CZ 3.73Å; R350-F352 HydrophobicContact CG-CZ 4.48Å; F352-L357 HydrophobicContact CB-CD1 4.16Å; F352-L357 HydrophobicContact CB-CG 4.28Å; F352-L357 HydrophobicContact CD1-CD2 3.83Å; F352-L357 HydrophobicContact CD1-CG 4.48Å; F352-L357 HydrophobicContact CE1-CD2 4.3Å; F352-L357 HydrophobicContact CG-CD1 4.42Å; F352-L357 HydrophobicContact CG-CD2 4.29Å; F352-H376 AromaticContact CD1-CD2 3.99Å; F352-H376 AromaticContact CE1-CD2 3.94Å; F352-M383 HydrophobicContact CE1-CE 3.85Å; F352-M383 HydrophobicContact CE1-SD 4.27Å; F352-M383 HydrophobicContact CE2-SD 4.37Å; F352-M383 HydrophobicContact CZ-CE 3.86Å; F352-M383 HydrophobicContact CZ-SD 3.71Å; F352-I418 HydrophobicContact CE2-CG2 3.93Å; F352-I418 HydrophobicContact CZ-CG2 3.85Å; F352-V420 PolarHBondContact N-O 2.59Å; F352-L421 HydrophobicContact CB-CB 4.24Å; F352-L421 HydrophobicContact CB-CD1 4.28Å; F352-I430 HydrophobicContact CD2-CB 4.24Å; F352-I430 HydrophobicContact CD2-CG1 3.72Å; F352-I430 HydrophobicContact CD2-CG2 4.38Å; F352-I430 HydrophobicContact CE2-CB 4.04Å; F352-I430 HydrophobicContact CE2-CG1 4.05Å; F352-I430 HydrophobicContact CE2-CG2 3.91Å; F352-I430 HydrophobicContact CZ-CG2 4.48Å
353	R	87	Confident	74.5	Confident	162 Å²	162	80.2 Å²	80.2	61%	0.611	47%	0.469	S	S	*	.			trans	-90.7	150.9	167	-56	175.4	177.5	-161.3	-3.9	109	C355 D356	R353-C355 VanDerWaalsContact CB-SG 3.57Å; R353-C355 PolarHBondContact O-N 2.85Å; R353-C355 VanDerWaalsContact O-N 3.12Å; R353-D356 VanDerWaalsContact CB-OD2 3.27Å; R353-D356 WeakPolarHBondContact CB-OD2 3.27Å; R353-D356 PolarHBondContact N-OD2 3.4Å; R353-D356 WeakPolarHBondContact O-CB 3.38Å; R353-D356 PolarHBondContact O-N 2.78Å
354	P	86.2	Confident	76.6	Confident	50 Å²	50	77.1 Å²	77.1	33%	0.325	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-53	-33.9	174.4	-27.8	35.5	0	0	0	114	D356 L421 K423	P354-D356 VanDerWaalsContact C-N 3.26Å; P354-D356 PolarHBondContact O-N 2.84Å; P354-L421 HydrophobicContact CG-CD2 4.13Å; P354-L421 HydrophobicContact CG-CG 4.49Å; P354-K423 HydrophobicContact CB-CD 4.27Å; P354-K423 HydrophobicContact CG-CB 3.98Å; P354-K423 HydrophobicContact CG-CD 4.06Å; P354-K423 HydrophobicContact CG-CG 3.91Å
355	C	88.5	Confident	78.3	Confident	76 Å²	76	79.5 Å²	79.5	51%	0.514	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-70	-20	177.6	56.4	0	0	0	0	114.1	R353 L357 K377	R353-C355 VanDerWaalsContact CB-SG 3.57Å; R353-C355 PolarHBondContact O-N 2.85Å; R353-C355 VanDerWaalsContact O-N 3.12Å; C355-L357 VanDerWaalsContact C-N 3.32Å; C355-K377 VanDerWaalsContact O-CD 3.26Å; C355-K377 WeakPolarHBondContact O-CD 3.33Å; C355-K377 WeakPolarHBondContact O-CE 3.26Å; C355-K377 PolarHBondContact O-NZ 2.94Å
356	D	88.9	Confident	79.4	Confident	45 Å²	45	76.7 Å²	76.7	24%	0.241	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-79.8	-18.8	-176.5	-54.8	-21.2	0	0	0	111.8	R353 P354 H376 K377	R353-D356 VanDerWaalsContact CB-OD2 3.27Å; R353-D356 WeakPolarHBondContact CB-OD2 3.27Å; R353-D356 PolarHBondContact N-OD2 3.4Å; R353-D356 WeakPolarHBondContact O-CB 3.38Å; R353-D356 PolarHBondContact O-N 2.78Å; P354-D356 VanDerWaalsContact C-N 3.26Å; P354-D356 PolarHBondContact O-N 2.84Å; D356-H376 WeakPolarHBondContact O-CA 3.26Å; D356-H376 PolarHBondContact O-CD2 2.83Å; D356-K377 PolarHBondContact O-N 2.81Å
357	L	92.9	Very high	80	Confident	4 Å²	4	79.9 Å²	79.9	2%	0.021	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.4	-173.4	-58	-172.8	0	0	0	111.5	F352 C355 H359 V374 T375 H376 M383 L421 I430	F352-L357 HydrophobicContact CB-CD1 4.16Å; F352-L357 HydrophobicContact CB-CG 4.28Å; F352-L357 HydrophobicContact CD1-CD2 3.83Å; F352-L357 HydrophobicContact CD1-CG 4.48Å; F352-L357 HydrophobicContact CE1-CD2 4.3Å; F352-L357 HydrophobicContact CG-CD1 4.42Å; F352-L357 HydrophobicContact CG-CD2 4.29Å; C355-L357 VanDerWaalsContact C-N 3.32Å; L357-H359 PolarHBondContact O-ND1 2.89Å; L357-V374 HydrophobicContact CB-CB 4.28Å; L357-V374 HydrophobicContact CD1-CB 4.32Å; L357-V374 HydrophobicContact CD1-CG2 4.08Å; L357-T375 WeakPolarHBondContact CA-O 3.49Å; L357-H376 HydrophobicContact CD2-CB 4.21Å; L357-M383 HydrophobicContact CD2-CE 3.61Å; L357-L421 HydrophobicContact CD1-CD1 3.47Å; L357-L421 VanDerWaalsContact CD1-CD1 3.47Å; L357-L421 HydrophobicContact CG-CD1 4.2Å; L357-I430 HydrophobicContact CD1-CD1 3.87Å
358	I	93.9	Very high	80.4	Confident	89 Å²	89	79.3 Å²	79.3	46%	0.456	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	125.8	166.9	-54.4	175.9	0	0	0	107.2	V374 T375 K377	I358-V374 CarbonylContact O-C 3.54Å; I358-V374 VanDerWaalsContact O-CA 3.22Å; I358-V374 WeakPolarHBondContact O-CA 3.32Å; I358-T375 PolarHBondContact N-O 3.1Å; I358-T375 PolarHBondContact O-N 3.47Å; I358-K377 HydrophobicContact CD1-CG 3.88Å; I358-K377 HydrophobicContact CG1-CD 4.17Å; I358-K377 HydrophobicContact CG1-CG 3.52Å
359	H	93	Very high	81	Confident	86 Å²	86	75 Å²	75	40%	0.398	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	129.6	177.3	-63.3	56.8	0	0	0	109	L357 I372 M385	L357-H359 PolarHBondContact O-ND1 2.89Å; H359-I372 HydrophobicContact CB-CG2 4.45Å; H359-M385 WeakPolarHBondContact NE2-CE 3.48Å
360	G	92.1	Very high	81.1	Confident	45 Å²	45	75.2 Å²	75.2	46%	0.464	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-145.9	174.6	0	0	0	0	0	111.5	K373	G360-K373 WeakPolarHBondContact CA-O 3.44Å; G360-K373 PolarHBondContact N-O 3.44Å
361	E	91.3	Very high	81.2	Confident	110 Å²	110	73.6 Å²	73.6	51%	0.514	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	150.9	-179.7	68.7	-145.8	155.6	0	0	113.1	L363 K373	E361-L363 HydrophobicContact CG-CD2 3.91Å; E361-L363 PolarHBondContact O-N 2.8Å; E361-K373 HydrophobicContact CG-CB 4.19Å; E361-K373 HydrophobicContact CG-CD 4.11Å; E361-K373 PolarHBondContact O-N 2.8Å; E361-K373 WeakPolarHBondContact OE1-CD 3.49Å; E361-K373 IonicContact OE1-NZ 3.84Å; E361-K373 PolarHBondContact OE1-NZ 3.35Å
362	V	89.8	Confident	81.5	Confident	68 Å²	68	67.2 Å²	67.2	41%	0.412	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	116.4	170.9	178.6	0	0	0	0	107.7	K365 Q370	V362-K365 HydrophobicContact CG1-CG 3.9Å; V362-Q370 HydrophobicContact CG1-CB 4.33Å
363	L	84.1	Confident	81.8	Confident	77 Å²	77	69.3 Å²	69.3	40%	0.403	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-28.5	-178.5	-60.8	175.5	0	0	0	111.9	E361 A371 K373 V384 F433	E361-L363 HydrophobicContact CG-CD2 3.91Å; E361-L363 PolarHBondContact O-N 2.8Å; L363-A371 HydrophobicContact CB-CB 4.46Å; L363-A371 PolarHBondContact N-O 3.15Å; L363-K373 HydrophobicContact CD1-CB 4.1Å; L363-K373 HydrophobicContact CD2-CB 4.23Å; L363-K373 HydrophobicContact CG-CB 4.11Å; L363-V384 HydrophobicContact CD1-CB 4.49Å; L363-V384 HydrophobicContact CD1-CG1 4.14Å; L363-V384 HydrophobicContact CD1-CG2 3.59Å; L363-F433 HydrophobicContact CD1-CD2 3.93Å; L363-F433 HydrophobicContact CD1-CE2 3.75Å; L363-F433 HydrophobicContact CD2-CE2 4.04Å
364	G	71.9	Confident	82.2	Confident	34 Å²	34	61.6 Å²	61.6	35%	0.351	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	149.1	178.2	0	0	0	0	0	112.4	Q370 A371	G364-Q370 CarbonylContact O-C 3.55Å; G364-Q370 WeakPolarHBondContact O-CA 3.48Å; G364-A371 PolarHBondContact N-O 3.34Å; G364-A371 PolarHBondContact O-N 3.22Å
365	K	71.7	Confident	82.6	Confident	168 Å²	168	61.2 Å²	61.2	73%	0.73	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.7	170.6	-65.4	-176.8	179.8	178.1	0	108	V362 Q370	V362-K365 HydrophobicContact CG1-CG 3.9Å; K365-Q370 HydrophobicContact CG-CB 4.18Å
366	G	60.8	Low	82.9	Confident	51 Å²	51	58.9 Å²	58.9	53%	0.526	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	177.7	179.4	0	0	0	0	0	111.8	F368 G369	G366-F368 PolarHBondContact O-N 2.91Å; G366-F368 VanDerWaalsContact O-N 3.13Å; G366-G369 PolarHBondContact N-O 3Å; G366-G369 PolarHBondContact O-N 2.86Å; G366-G369 VanDerWaalsContact O-N 3.15Å; G366-G369 VanDerWaalsContact O-O 3.05Å
367	F	51.8	Low	83.1	Confident	185 Å²	185	62.7 Å²	62.7	81%	0.811	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.8	179.2	-175	-99.4	0	0	0	113.2
368	F	54.6	Low	83	Confident	55 Å²	55	66.7 Å²	66.7	24%	0.241	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-9.7	-177	-62.1	-71.1	0	0	0	114.8	G366 I389 L498	G366-F368 PolarHBondContact O-N 2.91Å; G366-F368 VanDerWaalsContact O-N 3.13Å; F368-I389 PolarHBondContact O-N 3.37Å; F368-L498 HydrophobicContact CD1-CD2 4.42Å; F368-L498 HydrophobicContact CE1-CD1 4.34Å; F368-L498 HydrophobicContact CE1-CD2 3.4Å; F368-L498 HydrophobicContact CE1-CG 3.85Å; F368-L498 HydrophobicContact CE2-CD1 3.62Å; F368-L498 HydrophobicContact CE2-CD2 4.23Å; F368-L498 HydrophobicContact CE2-CG 3.77Å; F368-L498 HydrophobicContact CZ-CD1 3.39Å; F368-L498 HydrophobicContact CZ-CD2 3.31Å; F368-L498 HydrophobicContact CZ-CG 3.36Å
369	G	69.6	Low	82.9	Confident	9 Å²	9	66.6 Å²	66.6	9%	0.093	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.6	-172.9	-168.2	0	0	0	0	0	114.8	G366 E387 I389	G366-G369 PolarHBondContact N-O 3Å; G366-G369 PolarHBondContact O-N 2.86Å; G366-G369 VanDerWaalsContact O-N 3.15Å; G366-G369 VanDerWaalsContact O-O 3.05Å; G369-E387 WeakPolarHBondContact CA-O 3.12Å; G369-I389 VanDerWaalsContact CA-CD1 3.5Å; G369-I389 VanDerWaalsContact N-CD1 3.35Å
370	Q	79.2	Confident	82.9	Confident	58 Å²	58	64.8 Å²	64.8	27%	0.271	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.8	167	61.4	-178	34.9	0	0	110.5	V362 G364 K365 I372 E387	V362-Q370 HydrophobicContact CG1-CB 4.33Å; G364-Q370 CarbonylContact O-C 3.55Å; G364-Q370 WeakPolarHBondContact O-CA 3.48Å; K365-Q370 HydrophobicContact CG-CB 4.18Å; Q370-I372 HydrophobicContact CG-CD1 4.06Å; Q370-I372 HydrophobicContact CG-CG1 3.96Å; Q370-E387 HydrophobicContact CG-CG 4.45Å; Q370-E387 WeakPolarHBondContact CG-OE2 3.47Å; Q370-E387 PolarHBondContact O-N 3.43Å; Q370-E387 VanDerWaalsContact O-N 3.1Å
371	A	86.3	Confident	82.9	Confident	25 Å²	25	65.7 Å²	65.7	21%	0.207	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.8	168.8	0	0	0	0	0	108.2	L363 G364 V384 M385	L363-A371 HydrophobicContact CB-CB 4.46Å; L363-A371 PolarHBondContact N-O 3.15Å; G364-A371 PolarHBondContact N-O 3.34Å; G364-A371 PolarHBondContact O-N 3.22Å; A371-V384 HydrophobicContact CB-CG1 4Å; A371-M385 WeakPolarHBondContact CA-O 3.38Å
372	I	90.3	Very high	83.1	Confident	7 Å²	7	63.3 Å²	63.3	4%	0.036	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.9	-175.6	-44.5	176.1	0	0	0	107.9	H359 Q370 V374 V384 M385 E387	H359-I372 HydrophobicContact CB-CG2 4.45Å; Q370-I372 HydrophobicContact CG-CD1 4.06Å; Q370-I372 HydrophobicContact CG-CG1 3.96Å; I372-V374 PolarHBondContact O-N 3.2Å; I372-V384 WeakPolarHBondContact O-CA 3.47Å; I372-M385 HydrophobicContact CD1-CE 3.73Å; I372-M385 PolarHBondContact N-O 3.16Å; I372-M385 PolarHBondContact O-N 3.15Å; I372-E387 HydrophobicContact CD1-CG 4.45Å
373	K	93.7	Very high	83.4	Confident	51 Å²	51	60 Å²	60	22%	0.222	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	132	169	-172.4	173.8	179.6	172.6	0	108.9	G360 E361 L363 V382 F433	G360-K373 WeakPolarHBondContact CA-O 3.44Å; G360-K373 PolarHBondContact N-O 3.44Å; E361-K373 HydrophobicContact CG-CB 4.19Å; E361-K373 HydrophobicContact CG-CD 4.11Å; E361-K373 PolarHBondContact O-N 2.8Å; E361-K373 WeakPolarHBondContact OE1-CD 3.49Å; E361-K373 IonicContact OE1-NZ 3.84Å; E361-K373 PolarHBondContact OE1-NZ 3.35Å; L363-K373 HydrophobicContact CD1-CB 4.1Å; L363-K373 HydrophobicContact CD2-CB 4.23Å; L363-K373 HydrophobicContact CG-CB 4.11Å; K373-V382 HydrophobicContact CD-CG1 4.39Å; K373-V382 HydrophobicContact CG-CG1 3.94Å; K373-F433 HydrophobicContact CD-CE2 4.25Å; K373-F433 HydrophobicContact CD-CZ 4.16Å; K373-F433 HydrophobicContact CG-CE2 4.49Å
374	V	95	Very high	83.8	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	145.9	-179.3	-65.3	0	0	0	0	110.9	L357 I358 I372 V382 M383 M385	L357-V374 HydrophobicContact CB-CB 4.28Å; L357-V374 HydrophobicContact CD1-CB 4.32Å; L357-V374 HydrophobicContact CD1-CG2 4.08Å; I358-V374 CarbonylContact O-C 3.54Å; I358-V374 VanDerWaalsContact O-CA 3.22Å; I358-V374 WeakPolarHBondContact O-CA 3.32Å; I372-V374 PolarHBondContact O-N 3.2Å; V374-V382 WeakPolarHBondContact O-CA 3.38Å; V374-M383 HydrophobicContact CG2-CB 3.92Å; V374-M383 PolarHBondContact N-O 2.95Å; V374-M383 PolarHBondContact O-N 2.76Å; V374-M385 HydrophobicContact CG1-CB 3.69Å; V374-M385 HydrophobicContact CG1-CE 4.43Å; V374-M385 HydrophobicContact CG2-CB 4.03Å
375	T	95.9	Very high	84.6	Confident	42 Å²	42	55.7 Å²	55.7	26%	0.258	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.7	177.6	-53.3	0	0	0	0	110	L357 I358 K377 E381 V382	L357-T375 WeakPolarHBondContact CA-O 3.49Å; I358-T375 PolarHBondContact N-O 3.1Å; I358-T375 PolarHBondContact O-N 3.47Å; T375-K377 PolarHBondContact O-N 2.87Å; T375-E381 CarbonylContact C-O 3.49Å; T375-E381 WeakPolarHBondContact CA-O 3.34Å; T375-V382 HydrophobicContact CG2-CG2 4.49Å
376	H	94.7	Very high	85.2	Confident	27 Å²	27	49.4 Å²	49.4	13%	0.125	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	119.4	176.9	-176.7	-127.1	0	0	0	110.7	F352 D356 L357 A378 T379 G380 E381 M383	F352-H376 AromaticContact CD1-CD2 3.99Å; F352-H376 AromaticContact CE1-CD2 3.94Å; D356-H376 WeakPolarHBondContact O-CA 3.26Å; D356-H376 PolarHBondContact O-CD2 2.83Å; L357-H376 HydrophobicContact CD2-CB 4.21Å; H376-A378 VanDerWaalsContact C-N 3.31Å; H376-A378 PolarHBondContact O-N 2.68Å; H376-T379 WeakPolarHBondContact ND1-CG2 3.39Å; H376-T379 PolarHBondContact ND1-N 2.82Å; H376-T379 PolarHBondContact ND1-OG1 2.83Å; H376-T379 PolarHBondContact O-N 2.85Å; H376-G380 WeakPolarHBondContact O-CA 3.42Å; H376-G380 PolarHBondContact O-N 3.42Å; H376-E381 HydrophobicContact CB-CB 4.35Å; H376-E381 PolarHBondContact N-O 2.88Å; H376-M383 HydrophobicContact CB-CE 3.74Å
377	K	92.1	Very high	86	Confident	125 Å²	125	49.3 Å²	49.3	54%	0.543	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-39.1	-173.4	-72.1	-175.8	-175.9	167.2	0	113.9	C355 D356 I358 T375	C355-K377 VanDerWaalsContact O-CD 3.26Å; C355-K377 WeakPolarHBondContact O-CD 3.33Å; C355-K377 WeakPolarHBondContact O-CE 3.26Å; C355-K377 PolarHBondContact O-NZ 2.94Å; D356-K377 PolarHBondContact O-N 2.81Å; I358-K377 HydrophobicContact CD1-CG 3.88Å; I358-K377 HydrophobicContact CG1-CD 4.17Å; I358-K377 HydrophobicContact CG1-CG 3.52Å; T375-K377 PolarHBondContact O-N 2.87Å
378	A	90.3	Very high	86.7	Confident	89 Å²	89	42.1 Å²	42.1	74%	0.736	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-31.3	-174	0	0	0	0	0	113.3	H376	H376-A378 VanDerWaalsContact C-N 3.31Å; H376-A378 PolarHBondContact O-N 2.68Å
379	T	92.7	Very high	86.7	Confident	87 Å²	87	44 Å²	44	53%	0.534	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-14.6	-176.5	61.7	0	0	0	0	113.8	H376 E381	H376-T379 WeakPolarHBondContact ND1-CG2 3.39Å; H376-T379 PolarHBondContact ND1-N 2.82Å; H376-T379 PolarHBondContact ND1-OG1 2.83Å; H376-T379 PolarHBondContact O-N 2.85Å; T379-E381 PolarHBondContact O-N 2.93Å; T379-E381 VanDerWaalsContact OG1-CB 3.26Å; T379-E381 WeakPolarHBondContact OG1-CB 3.33Å; T379-E381 PolarHBondContact OG1-N 2.79Å
380	G	92.4	Very high	85.9	Confident	48 Å²	48	53.6 Å²	53.6	50%	0.495	29%	0.288	S	S	.	.			trans	71.4	6.7	-170.5	0	0	0	0	0	114.1	H376 V382	H376-G380 WeakPolarHBondContact O-CA 3.42Å; H376-G380 PolarHBondContact O-N 3.42Å; G380-V382 PolarHBondContact O-N 3.04Å
381	E	93.9	Very high	84.5	Confident	64 Å²	64	53.4 Å²	53.4	30%	0.299	29%	0.292	S	S	.	.			trans	-69.6	127.8	-176.6	-174	-178.3	-179.4	0	0	111.4	R350 T375 H376 T379 M383	R350-E381 IonicContact CZ-OE1 3.67Å; R350-E381 IonicContact CZ-OE2 2.78Å; R350-E381 IonicContact NH1-OE2 3.61Å; R350-E381 PolarHBondContact NH1-OE2 3.47Å; R350-E381 IonicContact NH2-OE1 2.61Å; R350-E381 PolarHBondContact NH2-OE1 2.81Å; R350-E381 IonicContact NH2-OE2 3.84Å; R350-E381 PolarHBondContact NH2-OE2 2.93Å; T375-E381 CarbonylContact C-O 3.49Å; T375-E381 WeakPolarHBondContact CA-O 3.34Å; H376-E381 HydrophobicContact CB-CB 4.35Å; H376-E381 PolarHBondContact N-O 2.88Å; T379-E381 PolarHBondContact O-N 2.93Å; T379-E381 VanDerWaalsContact OG1-CB 3.26Å; T379-E381 WeakPolarHBondContact OG1-CB 3.33Å; T379-E381 PolarHBondContact OG1-N 2.79Å; E381-M383 HydrophobicContact CG-CG 4.03Å; E381-M383 HydrophobicContact CG-SD 4.37Å
382	V	94.8	Very high	83.1	Confident	59 Å²	59	56.1 Å²	56.1	36%	0.358	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	131.2	177.3	-174.4	0	0	0	0	109.6	K373 V374 T375 G380 F433	K373-V382 HydrophobicContact CD-CG1 4.39Å; K373-V382 HydrophobicContact CG-CG1 3.94Å; V374-V382 WeakPolarHBondContact O-CA 3.38Å; T375-V382 HydrophobicContact CG2-CG2 4.49Å; G380-V382 PolarHBondContact O-N 3.04Å; V382-F433 HydrophobicContact CB-CD1 4.48Å; V382-F433 HydrophobicContact CG1-CB 4.01Å; V382-F433 HydrophobicContact CG1-CD1 3.67Å; V382-F433 HydrophobicContact CG1-CE1 4.34Å; V382-F433 HydrophobicContact CG1-CG 3.9Å
383	M	95	Very high	81.5	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	176.2	-173.9	-58.5	175.5	-69.1	0	0	109.8	F352 L357 V374 H376 E381 I418 I430 T431	F352-M383 HydrophobicContact CE1-CE 3.85Å; F352-M383 HydrophobicContact CE1-SD 4.27Å; F352-M383 HydrophobicContact CE2-SD 4.37Å; F352-M383 HydrophobicContact CZ-CE 3.86Å; F352-M383 HydrophobicContact CZ-SD 3.71Å; L357-M383 HydrophobicContact CD2-CE 3.61Å; V374-M383 HydrophobicContact CG2-CB 3.92Å; V374-M383 PolarHBondContact N-O 2.95Å; V374-M383 PolarHBondContact O-N 2.76Å; H376-M383 HydrophobicContact CB-CE 3.74Å; E381-M383 HydrophobicContact CG-CG 4.03Å; E381-M383 HydrophobicContact CG-SD 4.37Å; M383-I418 HydrophobicContact CB-CD1 4.38Å; M383-I418 HydrophobicContact CG-CD1 3.66Å; M383-I418 HydrophobicContact SD-CB 4.5Å; M383-I418 HydrophobicContact SD-CD1 3.84Å; M383-I418 HydrophobicContact SD-CG2 3.8Å; M383-I430 HydrophobicContact CB-CG2 3.82Å; M383-I430 HydrophobicContact CE-CG2 4.18Å; M383-I430 HydrophobicContact CG-CG2 4.27Å; M383-I430 HydrophobicContact SD-CG2 3.63Å; M383-T431 WeakPolarHBondContact CA-O 3.23Å; M383-T431 WeakPolarHBondContact CB-O 3.41Å
384	V	92.3	Very high	79.7	Confident	18 Å²	18	68.4 Å²	68.4	11%	0.109	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.2	173	-179.1	0	0	0	0	109.6	L363 A371 I372 I430 T431 F433	L363-V384 HydrophobicContact CD1-CB 4.49Å; L363-V384 HydrophobicContact CD1-CG1 4.14Å; L363-V384 HydrophobicContact CD1-CG2 3.59Å; A371-V384 HydrophobicContact CB-CG1 4Å; I372-V384 WeakPolarHBondContact O-CA 3.47Å; V384-I430 CarbonylContact O-C 3.57Å; V384-I430 VanDerWaalsContact O-CA 3.29Å; V384-I430 WeakPolarHBondContact O-CA 3.34Å; V384-T431 PolarHBondContact N-O 2.71Å; V384-T431 PolarHBondContact O-N 3.23Å; V384-F433 HydrophobicContact CG2-CB 4.08Å; V384-F433 HydrophobicContact CG2-CD2 3.66Å; V384-F433 HydrophobicContact CG2-CG 4.36Å
385	M	89.8	Confident	77.8	Confident	1 Å²	1	71 Å²	71	1%	0.005	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121.2	170.7	-178	176.5	71.8	0	0	109.7	H359 A371 I372 V374 E387 L421 N428 L429 I430	H359-M385 WeakPolarHBondContact NE2-CE 3.48Å; A371-M385 WeakPolarHBondContact CA-O 3.38Å; I372-M385 HydrophobicContact CD1-CE 3.73Å; I372-M385 PolarHBondContact N-O 3.16Å; I372-M385 PolarHBondContact O-N 3.15Å; V374-M385 HydrophobicContact CG1-CB 3.69Å; V374-M385 HydrophobicContact CG1-CE 4.43Å; V374-M385 HydrophobicContact CG2-CB 4.03Å; M385-E387 HydrophobicContact CE-CG 4.17Å; M385-L421 HydrophobicContact SD-CD1 4Å; M385-L421 HydrophobicContact SD-CD2 4.42Å; M385-N428 HydrophobicContact CG-CB 3.76Å; M385-N428 HydrophobicContact SD-CB 3.97Å; M385-L429 CarbonylContact C-O 3.6Å; M385-L429 WeakPolarHBondContact CA-O 3.49Å; M385-I430 HydrophobicContact CB-CD1 3.62Å; M385-I430 HydrophobicContact CG-CD1 3.58Å; M385-I430 HydrophobicContact SD-CD1 4.27Å
386	K	83.8	Confident	76.2	Confident	37 Å²	37	71.9 Å²	71.9	16%	0.161	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.5	171.5	-168.5	174	178.7	175.1	0	109.9	N428 L429 D495	K386-N428 CarbonylContact O-C 3.59Å; K386-N428 VanDerWaalsContact O-CA 3.26Å; K386-N428 WeakPolarHBondContact O-CA 3.43Å; K386-L429 PolarHBondContact N-O 3.47Å; K386-L429 PolarHBondContact O-N 3.1Å; K386-D495 IonicContact NZ-OD1 2.74Å; K386-D495 PolarHBondContact NZ-OD1 3.48Å; K386-D495 IonicContact NZ-OD2 3.34Å; K386-D495 PolarHBondContact NZ-OD2 2.88Å
387	E	77.4	Confident	74.6	Confident	48 Å²	48	78 Å²	78	22%	0.224	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	123.8	176.6	-62.5	-176.4	162.5	0	0	110.4	G369 Q370 I372 M385 N428	G369-E387 WeakPolarHBondContact CA-O 3.12Å; Q370-E387 HydrophobicContact CG-CG 4.45Å; Q370-E387 WeakPolarHBondContact CG-OE2 3.47Å; Q370-E387 PolarHBondContact O-N 3.43Å; Q370-E387 VanDerWaalsContact O-N 3.1Å; I372-E387 HydrophobicContact CD1-CG 4.45Å; M385-E387 HydrophobicContact CE-CG 4.17Å; E387-N428 WeakPolarHBondContact CA-OD1 3.25Å
388	L	66.5	Low	72.9	Confident	34 Å²	34	75.6 Å²	75.6	18%	0.178	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-86.8	133.5	172.5	-83.3	105.5	0	0	0	111.7	F399 L427 L429	L388-F399 HydrophobicContact CD1-CE2 3.51Å; L388-F399 HydrophobicContact CD1-CZ 3.46Å; L388-F399 VanDerWaalsContact CD1-CZ 3.46Å; L388-F399 HydrophobicContact CD2-CD2 3.9Å; L388-F399 HydrophobicContact CD2-CE2 3.43Å; L388-F399 VanDerWaalsContact CD2-CE2 3.43Å; L388-F399 HydrophobicContact CD2-CZ 4.19Å; L388-F399 HydrophobicContact CG-CE2 4.11Å; L388-F399 HydrophobicContact CG-CZ 4.44Å; L388-L427 WeakPolarHBondContact CD1-O 3.04Å; L388-L429 HydrophobicContact CD1-CD1 3.85Å; L388-L429 HydrophobicContact CD1-CG 3.9Å
389	I	55.3	Low	71.7	Confident	94 Å²	94	72.3 Å²	72.3	48%	0.482	37%	0.37	S	S	.	.	S	Bend	trans	-81.3	-15.8	-172.8	-66.5	177.6	0	0	0	114	F368 G369	F368-I389 PolarHBondContact O-N 3.37Å; G369-I389 VanDerWaalsContact CA-CD1 3.5Å; G369-I389 VanDerWaalsContact N-CD1 3.35Å
390	R	52.1	Low	70.4	Confident	212 Å²	212	72.4 Å²	72.4	80%	0.8	37%	0.366	S	S	*	.			trans	-142	136.6	-177.1	-67	-173.1	170.5	177.5	-3.6	113.6
391	C	50.1	Low	68.9	Low	54 Å²	54	75.3 Å²	75.3	37%	0.365	37%	0.367	S	S	.	.			trans	-143.7	91.8	168.4	-122.2	0	0	0	0	108.2	Q396	C391-Q396 VanDerWaalsContact SG-CB 3.59Å
392	D	57.2	Low	67.5	Low	81 Å²	81	74.6 Å²	74.6	43%	0.433	36%	0.364	S	S	.	.			trans	-78.2	158.5	152.6	57.4	-70.1	0	0	0	109.1	E394 T395 Q396	D392-E394 PolarHBondContact O-N 2.8Å; D392-T395 PolarHBondContact N-OG1 2.94Å; D392-T395 VanDerWaalsContact N-OG1 3.15Å; D392-T395 PolarHBondContact O-N 2.84Å; D392-T395 PolarHBondContact O-OG1 3.31Å; D392-T395 VanDerWaalsContact OD1-CB 3.3Å; D392-T395 WeakPolarHBondContact OD1-CB 3.35Å; D392-T395 WeakPolarHBondContact OD1-CG2 3.4Å; D392-T395 PolarHBondContact OD1-OG1 3.05Å; D392-T395 WeakPolarHBondContact OD2-CG2 3.45Å; D392-T395 PolarHBondContact OD2-N 3.13Å; D392-T395 PolarHBondContact OD2-OG1 2.96Å; D392-Q396 WeakPolarHBondContact O-CB 3.48Å; D392-Q396 PolarHBondContact O-N 3.15Å
393	E	56.7	Low	66.4	Low	160 Å²	160	72.4 Å²	72.4	75%	0.748	35%	0.35	S	S	*	.	H	α-helix	trans	-61	-28.8	-173.9	-80.4	-171.9	150.7	0	0	113.7	K397	E393-K397 PolarHBondContact O-N 3Å
394	E	55.7	Low	65.2	Low	157 Å²	157	79.8 Å²	79.8	73%	0.734	38%	0.382	S	S	*	.	H	α-helix	trans	-76.7	-45.7	177.4	-73.4	-174.2	164.1	0	0	111.7	D392 Q396 K397 T398	D392-E394 PolarHBondContact O-N 2.8Å; E394-Q396 VanDerWaalsContact C-N 3.27Å; E394-Q396 PolarHBondContact O-N 3.35Å; E394-K397 PolarHBondContact O-N 3.09Å; E394-T398 PolarHBondContact O-N 3.39Å
395	T	55.8	Low	64.1	Low	55 Å²	55	80.1 Å²	80.1	34%	0.337	38%	0.384	S	S	.	.	H	α-helix	trans	-65.1	-30.7	174	57.2	0	0	0	0	112.6	D392 K397 T398 F399	D392-T395 PolarHBondContact N-OG1 2.94Å; D392-T395 VanDerWaalsContact N-OG1 3.15Å; D392-T395 PolarHBondContact O-N 2.84Å; D392-T395 PolarHBondContact O-OG1 3.31Å; D392-T395 VanDerWaalsContact OD1-CB 3.3Å; D392-T395 WeakPolarHBondContact OD1-CB 3.35Å; D392-T395 WeakPolarHBondContact OD1-CG2 3.4Å; D392-T395 PolarHBondContact OD1-OG1 3.05Å; D392-T395 WeakPolarHBondContact OD2-CG2 3.45Å; D392-T395 PolarHBondContact OD2-N 3.13Å; D392-T395 PolarHBondContact OD2-OG1 2.96Å; T395-K397 VanDerWaalsContact C-N 3.31Å; T395-K397 PolarHBondContact O-N 3.07Å; T395-T398 WeakPolarHBondContact CA-OG1 3.35Å; T395-T398 PolarHBondContact O-N 2.77Å; T395-T398 PolarHBondContact O-OG1 2.86Å; T395-F399 WeakPolarHBondContact O-CB 3.29Å; T395-F399 PolarHBondContact O-N 3.08Å
396	Q	61.8	Low	63.3	Low	60 Å²	60	81.5 Å²	81.5	28%	0.28	39%	0.391	S	S	.	.	H	α-helix	trans	-62.6	-37.5	174.9	-166.9	177	-5	0	0	112	C391 D392 E394 L400	C391-Q396 VanDerWaalsContact SG-CB 3.59Å; D392-Q396 WeakPolarHBondContact O-CB 3.48Å; D392-Q396 PolarHBondContact O-N 3.15Å; E394-Q396 VanDerWaalsContact C-N 3.27Å; E394-Q396 PolarHBondContact O-N 3.35Å; Q396-L400 HydrophobicContact CG-CD1 4.39Å; Q396-L400 WeakPolarHBondContact O-CB 3.47Å; Q396-L400 VanDerWaalsContact O-CG 3.26Å; Q396-L400 WeakPolarHBondContact O-CG 3.37Å; Q396-L400 PolarHBondContact O-N 3.09Å
397	K	61	Low	63	Low	155 Å²	155	85.8 Å²	85.8	67%	0.674	41%	0.406	S	S	*	.	H	α-helix	trans	-69	-45.3	178	-74.7	175.8	-176.4	167.3	0	112.3	E393 E394 T395 F399 L400 Q401	E393-K397 PolarHBondContact O-N 3Å; E394-K397 PolarHBondContact O-N 3.09Å; T395-K397 VanDerWaalsContact C-N 3.31Å; T395-K397 PolarHBondContact O-N 3.07Å; K397-F399 VanDerWaalsContact C-N 3.3Å; K397-L400 PolarHBondContact O-N 3.03Å; K397-Q401 PolarHBondContact O-N 3.32Å
398	T	56.3	Low	63.1	Low	74 Å²	74	86.5 Å²	86.5	45%	0.454	42%	0.417	S	S	.	.	H	α-helix	trans	-65.3	-39	176.2	52.2	0	0	0	0	111	E394 T395 Q401 E402	E394-T398 PolarHBondContact O-N 3.39Å; T395-T398 WeakPolarHBondContact CA-OG1 3.35Å; T395-T398 PolarHBondContact O-N 2.77Å; T395-T398 PolarHBondContact O-OG1 2.86Å; T398-Q401 WeakPolarHBondContact O-CB 3.47Å; T398-Q401 PolarHBondContact O-N 3.22Å; T398-E402 WeakPolarHBondContact O-CG 3.43Å; T398-E402 PolarHBondContact O-N 2.95Å
399	F	64.6	Low	64	Low	21 Å²	21	85.7 Å²	85.7	9%	0.092	41%	0.413	C	S	.	.	H	α-helix	trans	-64.9	-43.5	177.7	-178.5	-90.6	0	0	0	112.7	L388 T395 K397 Q401 E402 V403 L427 L429	L388-F399 HydrophobicContact CD1-CE2 3.51Å; L388-F399 HydrophobicContact CD1-CZ 3.46Å; L388-F399 VanDerWaalsContact CD1-CZ 3.46Å; L388-F399 HydrophobicContact CD2-CD2 3.9Å; L388-F399 HydrophobicContact CD2-CE2 3.43Å; L388-F399 VanDerWaalsContact CD2-CE2 3.43Å; L388-F399 HydrophobicContact CD2-CZ 4.19Å; L388-F399 HydrophobicContact CG-CE2 4.11Å; L388-F399 HydrophobicContact CG-CZ 4.44Å; T395-F399 WeakPolarHBondContact O-CB 3.29Å; T395-F399 PolarHBondContact O-N 3.08Å; K397-F399 VanDerWaalsContact C-N 3.3Å; F399-Q401 PolarHBondContact O-N 3.46Å; F399-E402 CarbonylContact O-C 3.59Å; F399-E402 WeakPolarHBondContact O-CB 2.99Å; F399-E402 PolarHBondContact O-N 3.18Å; F399-E402 VanDerWaalsContact O-N 3.12Å; F399-V403 HydrophobicContact CD1-CG2 3.92Å; F399-V403 HydrophobicContact CE1-CG2 3.39Å; F399-V403 HydrophobicContact CZ-CG2 3.77Å; F399-V403 WeakPolarHBondContact O-CG2 3.45Å; F399-V403 PolarHBondContact O-N 3.24Å; F399-L427 HydrophobicContact CD1-CD1 4.16Å; F399-L427 HydrophobicContact CE1-CB 4.24Å; F399-L427 HydrophobicContact CE1-CD1 3.72Å; F399-L427 HydrophobicContact CE1-CD2 3.36Å; F399-L427 HydrophobicContact CE1-CG 3.93Å; F399-L427 HydrophobicContact CZ-CD2 3.78Å; F399-L429 HydrophobicContact CE1-CD2 4.38Å; F399-L429 HydrophobicContact CE2-CD1 4.18Å; F399-L429 HydrophobicContact CZ-CD1 3.96Å; F399-L429 HydrophobicContact CZ-CD2 3.75Å; F399-L429 HydrophobicContact CZ-CG 3.9Å
400	L	66.6	Low	65.6	Low	88 Å²	88	86.9 Å²	86.9	46%	0.461	42%	0.42	S	S	.	.	H	α-helix	trans	-62.3	-32.7	175	-74.5	170.2	0	0	0	112.3	Q396 K397 K404 L427	Q396-L400 HydrophobicContact CG-CD1 4.39Å; Q396-L400 WeakPolarHBondContact O-CB 3.47Å; Q396-L400 VanDerWaalsContact O-CG 3.26Å; Q396-L400 WeakPolarHBondContact O-CG 3.37Å; Q396-L400 PolarHBondContact O-N 3.09Å; K397-L400 PolarHBondContact O-N 3.03Å; L400-K404 PolarHBondContact O-N 3.36Å; L400-L427 HydrophobicContact CD2-CD1 4.14Å
401	Q	61	Low	67.5	Low	110 Å²	110	78.8 Å²	78.8	51%	0.514	39%	0.391	S	S	.	.	H	α-helix	trans	-70.6	-38.7	173.6	-171	162.8	-4.2	0	0	111.7	K397 T398 F399 K404 V405	K397-Q401 PolarHBondContact O-N 3.32Å; T398-Q401 WeakPolarHBondContact O-CB 3.47Å; T398-Q401 PolarHBondContact O-N 3.22Å; F399-Q401 PolarHBondContact O-N 3.46Å; Q401-K404 WeakPolarHBondContact O-CB 3.49Å; Q401-K404 PolarHBondContact O-N 3.19Å; Q401-V405 WeakPolarHBondContact O-CG2 3.21Å; Q401-V405 PolarHBondContact O-N 3.26Å
402	E	63.3	Low	69.6	Low	49 Å²	49	80.1 Å²	80.1	23%	0.229	40%	0.399	C	S	.	.	H	α-helix	trans	-64.3	-44	172.3	-72.6	166.1	-170.5	0	0	111.6	T398 F399 K404 V405 M406	T398-E402 WeakPolarHBondContact O-CG 3.43Å; T398-E402 PolarHBondContact O-N 2.95Å; F399-E402 CarbonylContact O-C 3.59Å; F399-E402 WeakPolarHBondContact O-CB 2.99Å; F399-E402 PolarHBondContact O-N 3.18Å; F399-E402 VanDerWaalsContact O-N 3.12Å; E402-K404 VanDerWaalsContact C-N 3.27Å; E402-K404 PolarHBondContact O-N 3.48Å; E402-V405 CarbonylContact O-C 3.58Å; E402-V405 WeakPolarHBondContact O-CA 3.06Å; E402-V405 WeakPolarHBondContact O-CB 3.26Å; E402-V405 PolarHBondContact O-N 3.01Å; E402-M406 WeakPolarHBondContact O-CG 3.37Å; E402-M406 PolarHBondContact O-N 3.36Å
403	V	71.7	Confident	71.5	Confident	12 Å²	12	77.9 Å²	77.9	7%	0.073	39%	0.386	C	S	.	.	H	α-helix	trans	-58.5	-39.8	173.2	171.9	0	0	0	0	111.3	F399 V405 M406 R407 F417 V420 L429	F399-V403 HydrophobicContact CD1-CG2 3.92Å; F399-V403 HydrophobicContact CE1-CG2 3.39Å; F399-V403 HydrophobicContact CZ-CG2 3.77Å; F399-V403 WeakPolarHBondContact O-CG2 3.45Å; F399-V403 PolarHBondContact O-N 3.24Å; V403-V405 VanDerWaalsContact C-N 3.27Å; V403-V405 PolarHBondContact O-N 2.86Å; V403-M406 PolarHBondContact O-N 2.86Å; V403-R407 HydrophobicContact CG1-CG 4.42Å; V403-R407 WeakPolarHBondContact O-CB 3.06Å; V403-R407 VanDerWaalsContact O-CG 3.23Å; V403-R407 WeakPolarHBondContact O-CG 3.43Å; V403-R407 PolarHBondContact O-N 2.93Å; V403-F417 HydrophobicContact CG1-CZ 4.18Å; V403-V420 HydrophobicContact CG1-CG1 4.05Å; V403-L429 HydrophobicContact CG2-CD2 3.84Å
404	K	69.6	Low	73.2	Confident	155 Å²	155	70.5 Å²	70.5	67%	0.674	35%	0.352	S	S	*	.	H	α-helix	trans	-60.4	-39.2	175.9	-175.1	-178.6	178.2	-177.6	0	111.7	L400 Q401 E402	L400-K404 PolarHBondContact O-N 3.36Å; Q401-K404 WeakPolarHBondContact O-CB 3.49Å; Q401-K404 PolarHBondContact O-N 3.19Å; E402-K404 VanDerWaalsContact C-N 3.27Å; E402-K404 PolarHBondContact O-N 3.48Å
405	V	69.4	Low	75	Confident	25 Å²	25	64.1 Å²	64.1	15%	0.152	32%	0.323	C	S	.	.	H	α-helix	trans	-71.1	-45.2	176.2	176.5	0	0	0	0	110.7	Q401 E402 V403 R407 S408 L409 I473 L501	Q401-V405 WeakPolarHBondContact O-CG2 3.21Å; Q401-V405 PolarHBondContact O-N 3.26Å; E402-V405 CarbonylContact O-C 3.58Å; E402-V405 WeakPolarHBondContact O-CA 3.06Å; E402-V405 WeakPolarHBondContact O-CB 3.26Å; E402-V405 PolarHBondContact O-N 3.01Å; V403-V405 VanDerWaalsContact C-N 3.27Å; V403-V405 PolarHBondContact O-N 2.86Å; V405-R407 PolarHBondContact O-N 3.32Å; V405-S408 WeakPolarHBondContact O-CA 3.48Å; V405-S408 PolarHBondContact O-N 3.1Å; V405-S408 PolarHBondContact O-OG 2.96Å; V405-L409 PolarHBondContact O-N 3.04Å; V405-I473 HydrophobicContact CG1-CD1 3.31Å; V405-I473 HydrophobicContact CG1-CG1 3.87Å; V405-L501 HydrophobicContact CG2-CD1 4.15Å; V405-L501 HydrophobicContact CG2-CD2 4.1Å
406	M	73.7	Confident	76.5	Confident	31 Å²	31	66.1 Å²	66.1	15%	0.153	33%	0.327	C	S	.	.	H	α-helix	trans	-56.4	-37.2	176.9	-68.8	178.6	74.1	0	0	112.5	E402 V403 S408 L409 F417 L429	E402-M406 WeakPolarHBondContact O-CG 3.37Å; E402-M406 PolarHBondContact O-N 3.36Å; V403-M406 PolarHBondContact O-N 2.86Å; M406-S408 PolarHBondContact O-N 2.98Å; M406-L409 PolarHBondContact O-N 3.33Å; M406-F417 HydrophobicContact CB-CB 4.49Å; M406-F417 HydrophobicContact CB-CG 4.35Å; M406-F417 HydrophobicContact CE-CD2 4.17Å; M406-L429 HydrophobicContact CE-CD1 4.28Å; M406-L429 HydrophobicContact SD-CD1 4.38Å
407	R	77.4	Confident	77.8	Confident	126 Å²	126	63.7 Å²	63.7	48%	0.475	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.7	173.6	-74	177.5	73.5	-175.4	5.1	114.3	H349 V403 V405 F417	H349-R407 HydrophobicContact CB-CG 4.23Å; H349-R407 PolarHBondContact CE1-O 2.82Å; H349-R407 PolarHBondContact ND1-NE 3.21Å; H349-R407 PolarHBondContact NE2-O 2.91Å; V403-R407 HydrophobicContact CG1-CG 4.42Å; V403-R407 WeakPolarHBondContact O-CB 3.06Å; V403-R407 VanDerWaalsContact O-CG 3.23Å; V403-R407 WeakPolarHBondContact O-CG 3.43Å; V403-R407 PolarHBondContact O-N 2.93Å; V405-R407 PolarHBondContact O-N 3.32Å; R407-F417 HydrophobicContact CB-CD1 4.37Å; R407-F417 HydrophobicContact CG-CD1 3.52Å; R407-F417 HydrophobicContact CG-CE1 3.31Å; R407-F417 HydrophobicContact CG-CZ 4.37Å
408	S	78.9	Confident	79.1	Confident	63 Å²	63	56.8 Å²	56.8	44%	0.441	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-2.4	177.1	59.7	0	0	0	0	113.2	V405 M406 Y467	V405-S408 WeakPolarHBondContact O-CA 3.48Å; V405-S408 PolarHBondContact O-N 3.1Å; V405-S408 PolarHBondContact O-OG 2.96Å; M406-S408 PolarHBondContact O-N 2.98Å; S408-Y467 PolarHBondContact O-OH 2.99Å
409	L	85.1	Confident	80.6	Confident	18 Å²	18	53.3 Å²	53.3	9%	0.094	26%	0.264	C	S	.	.			trans	-81.8	122.4	179	-56.7	-179.2	0	0	0	110	V405 M406 V414 Y467 L468 M471 I473	V405-L409 PolarHBondContact O-N 3.04Å; M406-L409 PolarHBondContact O-N 3.33Å; L409-V414 HydrophobicContact CB-CG1 4.48Å; L409-V414 HydrophobicContact CD1-CG1 4.32Å; L409-Y467 WeakPolarHBondContact CA-OH 2.98Å; L409-Y467 HydrophobicContact CB-CE1 4.13Å; L409-Y467 HydrophobicContact CD2-CE1 3.73Å; L409-Y467 HydrophobicContact CG-CE1 4.5Å; L409-L468 HydrophobicContact CD1-CD2 3.76Å; L409-L468 HydrophobicContact CD2-CD2 4.33Å; L409-M471 HydrophobicContact CD2-CB 4.21Å; L409-M471 HydrophobicContact CD2-CE 4.37Å; L409-M471 HydrophobicContact CD2-CG 4.02Å; L409-I473 HydrophobicContact CD1-CD1 4.05Å; L409-I473 HydrophobicContact CD2-CD1 3.69Å; L409-I473 HydrophobicContact CG-CD1 4.4Å
410	D	88.8	Confident	81.6	Confident	118 Å²	118	53.7 Å²	53.7	63%	0.631	27%	0.268	S	S	*	.			trans	-144	100.5	174.7	-168.4	20.1	0	0	0	108.5	Y467	D410-Y467 PolarHBondContact N-OH 2.98Å; D410-Y467 PolarHBondContact O-OH 2.69Å
411	H	93.3	Very high	82.5	Confident	42 Å²	42	49.5 Å²	49.5	19%	0.194	25%	0.246	C	C	.	.			trans	-154.2	139	-178.2	-172	-92.9	0	0	0	109.8	H413 V414 S463 Y467	H411-H413 AromaticContact CE1-CD2 3.79Å; H411-H413 PolarHBondContact ND1-N 2.52Å; H411-H413 PolarHBondContact O-N 3.44Å; H411-H413 VanDerWaalsContact O-N 3.14Å; H411-V414 HydrophobicContact CB-CB 4.07Å; H411-V414 HydrophobicContact CB-CG2 3.98Å; H411-V414 PolarHBondContact O-N 2.91Å; H411-V414 VanDerWaalsContact O-N 3.1Å; H411-S463 PolarHBondContact CE1-OG 3.15Å; H411-S463 VanDerWaalsContact CE1-OG 3.31Å; H411-Y467 HydrophobicContact CB-CD1 3.53Å; H411-Y467 HydrophobicContact CB-CD2 4.12Å; H411-Y467 HydrophobicContact CB-CE1 3.73Å; H411-Y467 HydrophobicContact CB-CE2 4.3Å; H411-Y467 HydrophobicContact CB-CG 3.72Å; H411-Y467 AromaticContact CD2-CD2 3.74Å; H411-Y467 AromaticContact CD2-CG 3.68Å; H411-Y467 AromaticContact CG-CD1 3.98Å; H411-Y467 AromaticContact CG-CG 3.7Å
412	P	94.1	Very high	83.5	Confident	82 Å²	82	50 Å²	50	53%	0.532	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-29.5	-175.5	21.7	-34.9	0	0	0	114.4
413	H	96.4	Very high	84	Confident	34 Å²	34	52 Å²	52	16%	0.157	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	16	-179.1	-58.2	-62	0	0	0	114.1	H411 S460 V491 V493	H411-H413 AromaticContact CE1-CD2 3.79Å; H411-H413 PolarHBondContact ND1-N 2.52Å; H411-H413 PolarHBondContact O-N 3.44Å; H411-H413 VanDerWaalsContact O-N 3.14Å; H413-S460 WeakPolarHBondContact CB-O 3.17Å; H413-S460 VanDerWaalsContact CE1-CB 3.48Å; H413-S460 WeakPolarHBondContact CE1-CB 3.14Å; H413-S460 PolarHBondContact CE1-OG 3.01Å; H413-S460 VanDerWaalsContact CE1-OG 3.22Å; H413-S460 VanDerWaalsContact CG-O 3.31Å; H413-S460 WeakPolarHBondContact ND1-CB 3.44Å; H413-V491 PolarHBondContact ND1-O 3.25Å; H413-V493 PolarHBondContact O-N 2.88Å
414	V	93.6	Very high	84.2	Confident	6 Å²	6	57.5 Å²	57.5	4%	0.036	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-125.9	132.8	175.6	177.2	0	0	0	0	109.2	L409 H411 K416 G464 Y467 L468 F496	L409-V414 HydrophobicContact CB-CG1 4.48Å; L409-V414 HydrophobicContact CD1-CG1 4.32Å; H411-V414 HydrophobicContact CB-CB 4.07Å; H411-V414 HydrophobicContact CB-CG2 3.98Å; H411-V414 PolarHBondContact O-N 2.91Å; H411-V414 VanDerWaalsContact O-N 3.1Å; V414-K416 PolarHBondContact O-N 3.29Å; V414-G464 WeakPolarHBondContact CG2-O 3.36Å; V414-Y467 HydrophobicContact CG2-CD1 3.98Å; V414-L468 HydrophobicContact CG1-CD2 4.17Å; V414-L468 HydrophobicContact CG2-CD1 4.44Å; V414-L468 HydrophobicContact CG2-CD2 4.46Å; V414-L468 HydrophobicContact CG2-CG 4.18Å; V414-F496 HydrophobicContact CG1-CE2 3.64Å; V414-F496 HydrophobicContact CG1-CZ 3.9Å
415	L	91.8	Very high	84.2	Confident	23 Å²	23	58.1 Å²	58.1	12%	0.12	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-60.6	123.6	-173.4	-174.2	69.6	0	0	0	111	F417 T431 E432 I434 L484 V492 V493 A494	L415-F417 PolarHBondContact O-N 3.27Å; L415-T431 HydrophobicContact CD2-CG2 3.93Å; L415-T431 HydrophobicContact CG-CG2 4.41Å; L415-E432 HydrophobicContact CD1-CG 3.53Å; L415-E432 HydrophobicContact CG-CG 4.37Å; L415-I434 HydrophobicContact CD1-CD1 4.13Å; L415-I434 HydrophobicContact CD1-CG1 3.72Å; L415-L484 HydrophobicContact CD1-CD1 4.21Å; L415-V492 HydrophobicContact CB-CG1 3.88Å; L415-V492 HydrophobicContact CD1-CG1 4.21Å; L415-V493 WeakPolarHBondContact CB-O 3.47Å; L415-V493 PolarHBondContact N-O 3.46Å; L415-A494 HydrophobicContact CB-CB 4.17Å; L415-A494 HydrophobicContact CD2-CB 3.78Å; L415-A494 HydrophobicContact CG-CB 4.49Å
416	K	89.2	Confident	84.3	Confident	97 Å²	97	63.4 Å²	63.4	42%	0.422	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-69.4	123.1	-175.7	-169.6	171.5	-171.7	162.7	0	111.5	V414 T431 E432	V414-K416 PolarHBondContact O-N 3.29Å; K416-T431 WeakPolarHBondContact O-CA 3.3Å; K416-T431 WeakPolarHBondContact O-CB 3.42Å; K416-E432 HydrophobicContact CB-CB 4.33Å; K416-E432 HydrophobicContact CB-CG 3.96Å; K416-E432 WeakPolarHBondContact CB-OE1 3.49Å; K416-E432 PolarHBondContact N-OE1 3.34Å; K416-E432 PolarHBondContact O-N 3.05Å; K416-E432 VanDerWaalsContact O-N 3.07Å
417	F	87.9	Confident	84.3	Confident	9 Å²	9	62.7 Å²	62.7	4%	0.039	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	127.6	169.7	-179.2	-103.4	0	0	0	110.4	H349 V403 M406 R407 L415 G419 V420 L429	H349-F417 HydrophobicContact CB-CE1 4.22Å; H349-F417 AromaticContact CD2-CD1 3.38Å; H349-F417 WeakPolarHBondContact CD2-CD1 3.32Å; H349-F417 AromaticContact CD2-CE1 3.85Å; H349-F417 PolarHBondContact CD2-O 3.21Å; V403-F417 HydrophobicContact CG1-CZ 4.18Å; M406-F417 HydrophobicContact CB-CB 4.49Å; M406-F417 HydrophobicContact CB-CG 4.35Å; M406-F417 HydrophobicContact CE-CD2 4.17Å; R407-F417 HydrophobicContact CB-CD1 4.37Å; R407-F417 HydrophobicContact CG-CD1 3.52Å; R407-F417 HydrophobicContact CG-CE1 3.31Å; R407-F417 HydrophobicContact CG-CZ 4.37Å; L415-F417 PolarHBondContact O-N 3.27Å; F417-G419 WeakPolarHBondContact CE2-O 3.07Å; F417-G419 WeakPolarHBondContact CZ-O 3.47Å; F417-V420 HydrophobicContact CE2-CG1 4.38Å; F417-V420 HydrophobicContact CZ-CG1 3.72Å; F417-L429 HydrophobicContact CE2-CD2 3.74Å; F417-L429 HydrophobicContact CZ-CD2 4.45Å
418	I	89.3	Confident	84.6	Confident	10 Å²	10	57 Å²	57	5%	0.051	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-41.5	-179.3	-64.7	-178.1	0	0	0	111.3	H349 R350 F352 M383 I430 E432	H349-I418 WeakPolarHBondContact CA-O 3.3Å; R350-I418 PolarHBondContact N-O 3.27Å; F352-I418 HydrophobicContact CE2-CG2 3.93Å; F352-I418 HydrophobicContact CZ-CG2 3.85Å; M383-I418 HydrophobicContact CB-CD1 4.38Å; M383-I418 HydrophobicContact CG-CD1 3.66Å; M383-I418 HydrophobicContact SD-CB 4.5Å; M383-I418 HydrophobicContact SD-CD1 3.84Å; M383-I418 HydrophobicContact SD-CG2 3.8Å; I418-I430 WeakPolarHBondContact CA-O 3.02Å; I418-I430 HydrophobicContact CB-CG2 4.23Å; I418-I430 HydrophobicContact CG2-CG2 4.39Å; I418-I430 PolarHBondContact N-O 2.79Å; I418-E432 HydrophobicContact CD1-CB 4.15Å
419	G	86.8	Confident	84.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.3	-173.7	-171.9	0	0	0	0	0	115.3	R350 F417 I430	R350-G419 CarbonylContact O-C 3.58Å; R350-G419 WeakPolarHBondContact O-CA 3.38Å; F417-G419 WeakPolarHBondContact CE2-O 3.07Å; F417-G419 WeakPolarHBondContact CZ-O 3.47Å; G419-I430 PolarHBondContact N-O 2.93Å; G419-I430 VanDerWaalsContact N-O 3.08Å; G419-I430 WeakPolarHBondContact O-CA 3.49Å; G419-I430 WeakPolarHBondContact O-CB 3.46Å; G419-I430 PolarHBondContact O-N 3.16Å
420	V	85.5	Confident	85.1	Confident	29 Å²	29	53.7 Å²	53.7	18%	0.176	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	153.1	176.1	-61.8	0	0	0	0	110.6	R350 I351 F352 V403 F417 L427 N428 L429	R350-V420 PolarHBondContact O-N 2.63Å; I351-V420 WeakPolarHBondContact CA-O 3.28Å; I351-V420 HydrophobicContact CG1-CG2 4.07Å; F352-V420 PolarHBondContact N-O 2.59Å; V403-V420 HydrophobicContact CG1-CG1 4.05Å; F417-V420 HydrophobicContact CE2-CG1 4.38Å; F417-V420 HydrophobicContact CZ-CG1 3.72Å; V420-L427 HydrophobicContact CB-CD2 4.12Å; V420-L427 HydrophobicContact CG1-CD2 3.91Å; V420-N428 CarbonylContact C-O 3.53Å; V420-N428 WeakPolarHBondContact CA-O 3.49Å; V420-L429 HydrophobicContact CG1-CD2 4.29Å
421	L	86.3	Confident	85.2	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.5	168.6	178.2	161.4	0	0	0	108.1	F352 P354 L357 M385 K423 N428 I430	F352-L421 HydrophobicContact CB-CB 4.24Å; F352-L421 HydrophobicContact CB-CD1 4.28Å; P354-L421 HydrophobicContact CG-CD2 4.13Å; P354-L421 HydrophobicContact CG-CG 4.49Å; L357-L421 HydrophobicContact CD1-CD1 3.47Å; L357-L421 VanDerWaalsContact CD1-CD1 3.47Å; L357-L421 HydrophobicContact CG-CD1 4.2Å; M385-L421 HydrophobicContact SD-CD1 4Å; M385-L421 HydrophobicContact SD-CD2 4.42Å; L421-K423 HydrophobicContact CD2-CB 3.75Å; L421-N428 HydrophobicContact CB-CB 4.27Å; L421-N428 HydrophobicContact CD2-CB 4.31Å; L421-N428 WeakPolarHBondContact CD2-ND2 2.88Å; L421-N428 PolarHBondContact N-O 3.13Å; L421-N428 WeakPolarHBondContact O-CB 3.2Å; L421-N428 PolarHBondContact O-N 3.49Å; L421-I430 HydrophobicContact CB-CD1 4.22Å; L421-I430 HydrophobicContact CB-CG1 4.41Å
422	Y	80.5	Confident	85.1	Confident	120 Å²	120	49.2 Å²	49.2	47%	0.471	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.3	177.8	-169.7	-102.3	0	0	0	109.9	K425 R426 L427	Y422-K425 WeakPolarHBondContact OH-CA 3.42Å; Y422-R426 WeakPolarHBondContact CA-O 3.45Å; Y422-R426 WeakPolarHBondContact CD2-O 3.49Å; Y422-L427 HydrophobicContact CD2-CB 4.23Å
423	K	75.6	Confident	85	Confident	92 Å²	92	47.3 Å²	47.3	40%	0.4	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	133.1	-178.9	-172.4	-172.6	173.6	-170.1	0	109.7	P354 L421 K425 R426	P354-K423 HydrophobicContact CB-CD 4.27Å; P354-K423 HydrophobicContact CG-CB 3.98Å; P354-K423 HydrophobicContact CG-CD 4.06Å; P354-K423 HydrophobicContact CG-CG 3.91Å; L421-K423 HydrophobicContact CD2-CB 3.75Å; K423-K425 VanDerWaalsContact C-N 3.28Å; K423-K425 PolarHBondContact O-N 3.19Å; K423-R426 PolarHBondContact N-O 2.91Å; K423-R426 WeakPolarHBondContact O-CA 3.42Å; K423-R426 WeakPolarHBondContact O-CB 3.26Å; K423-R426 PolarHBondContact O-N 2.75Å; K423-R426 VanDerWaalsContact O-O 3.08Å
424	D	74.5	Confident	84.9	Confident	127 Å²	127	46.3 Å²	46.3	68%	0.679	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	40.9	173.5	-52.5	-33.2	0	0	0	114.5	R426	D424-R426 PolarHBondContact O-N 2.96Å; D424-R426 VanDerWaalsContact O-N 3.16Å
425	K	70.1	Confident	84.7	Confident	168 Å²	168	52.3 Å²	52.3	73%	0.73	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	12.3	-173	-56.2	179.7	178.9	179.1	0	115.4	Y422 K423	Y422-K425 WeakPolarHBondContact OH-CA 3.42Å; K423-K425 VanDerWaalsContact C-N 3.28Å; K423-K425 PolarHBondContact O-N 3.19Å
426	R	70.6	Confident	84.5	Confident	135 Å²	135	52.7 Å²	52.7	51%	0.509	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137.3	174.8	-56.7	-178.4	-177.4	-158.1	-1.4	109.7	Y422 K423 D424	Y422-R426 WeakPolarHBondContact CA-O 3.45Å; Y422-R426 WeakPolarHBondContact CD2-O 3.49Å; K423-R426 PolarHBondContact N-O 2.91Å; K423-R426 WeakPolarHBondContact O-CA 3.42Å; K423-R426 WeakPolarHBondContact O-CB 3.26Å; K423-R426 PolarHBondContact O-N 2.75Å; K423-R426 VanDerWaalsContact O-O 3.08Å; D424-R426 PolarHBondContact O-N 2.96Å; D424-R426 VanDerWaalsContact O-N 3.16Å
427	L	75.3	Confident	84.6	Confident	17 Å²	17	49.5 Å²	49.5	9%	0.089	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	123.6	175.3	-163.9	159.1	0	0	0	108.5	L388 F399 L400 V420 Y422 L429	L388-L427 WeakPolarHBondContact CD1-O 3.04Å; F399-L427 HydrophobicContact CD1-CD1 4.16Å; F399-L427 HydrophobicContact CE1-CB 4.24Å; F399-L427 HydrophobicContact CE1-CD1 3.72Å; F399-L427 HydrophobicContact CE1-CD2 3.36Å; F399-L427 HydrophobicContact CE1-CG 3.93Å; F399-L427 HydrophobicContact CZ-CD2 3.78Å; L400-L427 HydrophobicContact CD2-CD1 4.14Å; V420-L427 HydrophobicContact CB-CD2 4.12Å; V420-L427 HydrophobicContact CG1-CD2 3.91Å; Y422-L427 HydrophobicContact CD2-CB 4.23Å; L427-L429 HydrophobicContact CD2-CD2 4.1Å
428	N	83.1	Confident	84.8	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.027	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.7	178.5	-57.7	-24.6	0	0	0	109.3	M385 K386 E387 V420 L421	M385-N428 HydrophobicContact CG-CB 3.76Å; M385-N428 HydrophobicContact SD-CB 3.97Å; K386-N428 CarbonylContact O-C 3.59Å; K386-N428 VanDerWaalsContact O-CA 3.26Å; K386-N428 WeakPolarHBondContact O-CA 3.43Å; E387-N428 WeakPolarHBondContact CA-OD1 3.25Å; V420-N428 CarbonylContact C-O 3.53Å; V420-N428 WeakPolarHBondContact CA-O 3.49Å; L421-N428 HydrophobicContact CB-CB 4.27Å; L421-N428 HydrophobicContact CD2-CB 4.31Å; L421-N428 WeakPolarHBondContact CD2-ND2 2.88Å; L421-N428 PolarHBondContact N-O 3.13Å; L421-N428 WeakPolarHBondContact O-CB 3.2Å; L421-N428 PolarHBondContact O-N 3.49Å
429	L	84.5	Confident	85	Confident	12 Å²	12	49.7 Å²	49.7	6%	0.063	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	136.3	178.1	-64.9	172	0	0	0	109.8	M385 K386 L388 F399 V403 M406 F417 V420 L427	M385-L429 CarbonylContact C-O 3.6Å; M385-L429 WeakPolarHBondContact CA-O 3.49Å; K386-L429 PolarHBondContact N-O 3.47Å; K386-L429 PolarHBondContact O-N 3.1Å; L388-L429 HydrophobicContact CD1-CD1 3.85Å; L388-L429 HydrophobicContact CD1-CG 3.9Å; F399-L429 HydrophobicContact CE1-CD2 4.38Å; F399-L429 HydrophobicContact CE2-CD1 4.18Å; F399-L429 HydrophobicContact CZ-CD1 3.96Å; F399-L429 HydrophobicContact CZ-CD2 3.75Å; F399-L429 HydrophobicContact CZ-CG 3.9Å; V403-L429 HydrophobicContact CG2-CD2 3.84Å; M406-L429 HydrophobicContact CE-CD1 4.28Å; M406-L429 HydrophobicContact SD-CD1 4.38Å; F417-L429 HydrophobicContact CE2-CD2 3.74Å; F417-L429 HydrophobicContact CZ-CD2 4.45Å; V420-L429 HydrophobicContact CG1-CD2 4.29Å; L427-L429 HydrophobicContact CD2-CD2 4.1Å
430	I	88.9	Confident	85.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122.4	176.4	-47.9	-60.4	0	0	0	109.1	F352 L357 M383 V384 M385 I418 G419 L421	F352-I430 HydrophobicContact CD2-CB 4.24Å; F352-I430 HydrophobicContact CD2-CG1 3.72Å; F352-I430 HydrophobicContact CD2-CG2 4.38Å; F352-I430 HydrophobicContact CE2-CB 4.04Å; F352-I430 HydrophobicContact CE2-CG1 4.05Å; F352-I430 HydrophobicContact CE2-CG2 3.91Å; F352-I430 HydrophobicContact CZ-CG2 4.48Å; L357-I430 HydrophobicContact CD1-CD1 3.87Å; M383-I430 HydrophobicContact CB-CG2 3.82Å; M383-I430 HydrophobicContact CE-CG2 4.18Å; M383-I430 HydrophobicContact CG-CG2 4.27Å; M383-I430 HydrophobicContact SD-CG2 3.63Å; V384-I430 CarbonylContact O-C 3.57Å; V384-I430 VanDerWaalsContact O-CA 3.29Å; V384-I430 WeakPolarHBondContact O-CA 3.34Å; M385-I430 HydrophobicContact CB-CD1 3.62Å; M385-I430 HydrophobicContact CG-CD1 3.58Å; M385-I430 HydrophobicContact SD-CD1 4.27Å; I418-I430 WeakPolarHBondContact CA-O 3.02Å; I418-I430 HydrophobicContact CB-CG2 4.23Å; I418-I430 HydrophobicContact CG2-CG2 4.39Å; I418-I430 PolarHBondContact N-O 2.79Å; G419-I430 PolarHBondContact N-O 2.93Å; G419-I430 VanDerWaalsContact N-O 3.08Å; G419-I430 WeakPolarHBondContact O-CA 3.49Å; G419-I430 WeakPolarHBondContact O-CB 3.46Å; G419-I430 PolarHBondContact O-N 3.16Å; L421-I430 HydrophobicContact CB-CD1 4.22Å; L421-I430 HydrophobicContact CB-CG1 4.41Å
431	T	91.1	Very high	85.4	Confident	22 Å²	22	53.4 Å²	53.4	14%	0.135	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	168	177.8	62.8	0	0	0	0	111	M383 V384 L415 K416	M383-T431 WeakPolarHBondContact CA-O 3.23Å; M383-T431 WeakPolarHBondContact CB-O 3.41Å; V384-T431 PolarHBondContact N-O 2.71Å; V384-T431 PolarHBondContact O-N 3.23Å; L415-T431 HydrophobicContact CD2-CG2 3.93Å; L415-T431 HydrophobicContact CG-CG2 4.41Å; K416-T431 WeakPolarHBondContact O-CA 3.3Å; K416-T431 WeakPolarHBondContact O-CB 3.42Å
432	E	91.9	Very high	85.5	Confident	44 Å²	44	54.8 Å²	54.8	21%	0.206	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	151.3	169.2	69	-177.3	142.2	0	0	111.5	L415 K416 I418 I434	L415-E432 HydrophobicContact CD1-CG 3.53Å; L415-E432 HydrophobicContact CG-CG 4.37Å; K416-E432 HydrophobicContact CB-CB 4.33Å; K416-E432 HydrophobicContact CB-CG 3.96Å; K416-E432 WeakPolarHBondContact CB-OE1 3.49Å; K416-E432 PolarHBondContact N-OE1 3.34Å; K416-E432 PolarHBondContact O-N 3.05Å; K416-E432 VanDerWaalsContact O-N 3.07Å; I418-E432 HydrophobicContact CD1-CB 4.15Å; E432-I434 HydrophobicContact CG-CD1 3.87Å; E432-I434 HydrophobicContact CG-CG1 4.48Å
433	F	93.1	Very high	85.8	Confident	42 Å²	42	49.8 Å²	49.8	18%	0.184	25%	0.248	C	C	.	.			trans	-90.5	129.8	172.5	177	-117.6	0	0	0	109.9	L363 K373 V382 V384 E435	L363-F433 HydrophobicContact CD1-CD2 3.93Å; L363-F433 HydrophobicContact CD1-CE2 3.75Å; L363-F433 HydrophobicContact CD2-CE2 4.04Å; K373-F433 HydrophobicContact CD-CE2 4.25Å; K373-F433 HydrophobicContact CD-CZ 4.16Å; K373-F433 HydrophobicContact CG-CE2 4.49Å; V382-F433 HydrophobicContact CB-CD1 4.48Å; V382-F433 HydrophobicContact CG1-CB 4.01Å; V382-F433 HydrophobicContact CG1-CD1 3.67Å; V382-F433 HydrophobicContact CG1-CE1 4.34Å; V382-F433 HydrophobicContact CG1-CG 3.9Å; V384-F433 HydrophobicContact CG2-CB 4.08Å; V384-F433 HydrophobicContact CG2-CD2 3.66Å; V384-F433 HydrophobicContact CG2-CG 4.36Å; F433-E435 HydrophobicContact CD1-CG 3.95Å; F433-E435 HydrophobicContact CE1-CB 4.3Å; F433-E435 HydrophobicContact CE1-CG 3.68Å
434	I	92.9	Very high	86	Confident	13 Å²	13	51.3 Å²	51.3	7%	0.067	25%	0.251	C	S	.	.			trans	-109.9	116.8	176.8	-54.2	-60	0	0	0	108.2	L415 E432 L484 V485 K486	L415-I434 HydrophobicContact CD1-CD1 4.13Å; L415-I434 HydrophobicContact CD1-CG1 3.72Å; E432-I434 HydrophobicContact CG-CD1 3.87Å; E432-I434 HydrophobicContact CG-CG1 4.48Å; I434-L484 HydrophobicContact CB-CB 4.01Å; I434-L484 HydrophobicContact CB-CD1 4.03Å; I434-L484 HydrophobicContact CG1-CB 4.14Å; I434-L484 HydrophobicContact CG1-CD1 3.84Å; I434-L484 HydrophobicContact CG2-CB 3.8Å; I434-V485 WeakPolarHBondContact CG2-O 3.38Å; I434-K486 HydrophobicContact CD1-CD 4.45Å; I434-K486 HydrophobicContact CD1-CG 4Å; I434-K486 HydrophobicContact CG2-CG 3.92Å
435	E	90.1	Very high	86.1	Confident	132 Å²	132	49.9 Å²	49.9	62%	0.617	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-29.8	-168.6	-53.3	-167.1	177.8	0	0	114	F433 G437 L487	F433-E435 HydrophobicContact CD1-CG 3.95Å; F433-E435 HydrophobicContact CE1-CB 4.3Å; F433-E435 HydrophobicContact CE1-CG 3.68Å; E435-G437 PolarHBondContact O-N 3.1Å; E435-L487 HydrophobicContact CB-CD1 4.49Å; E435-L487 HydrophobicContact CB-CD2 4.16Å; E435-L487 HydrophobicContact CB-CG 4.18Å; E435-L487 WeakPolarHBondContact OE2-CD1 3.44Å
436	G	87.9	Confident	86.2	Confident	31 Å²	31	44.7 Å²	44.7	32%	0.32	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	7.9	-173.9	0	0	0	0	0	115.1	V485	G436-V485 CarbonylContact C-O 3.58Å; G436-V485 VanDerWaalsContact C-O 3.29Å; G436-V485 WeakPolarHBondContact CA-O 3.2Å; G436-V485 PolarHBondContact N-O 2.92Å; G436-V485 VanDerWaalsContact N-O 3.15Å
437	G	90.7	Very high	86	Confident	30 Å²	30	45.8 Å²	45.8	31%	0.309	24%	0.239	S	C	.	.			trans	72.5	-156.4	173	0	0	0	0	0	114.2	E435 L484 V485	E435-G437 PolarHBondContact O-N 3.1Å; G437-L484 CarbonylContact O-C 3.53Å; G437-L484 VanDerWaalsContact O-CA 3.28Å; G437-L484 WeakPolarHBondContact O-CA 3.39Å; G437-V485 PolarHBondContact O-N 3.13Å
438	T	92.3	Very high	86	Confident	24 Å²	24	50.1 Å²	50.1	15%	0.147	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-89.1	151.9	-176.4	76.2	0	0	0	0	112	K440 D441 F442 H481 C483 L484	T438-K440 PolarHBondContact O-N 3.23Å; T438-D441 PolarHBondContact O-N 3.1Å; T438-D441 PolarHBondContact OG1-N 2.76Å; T438-D441 PolarHBondContact OG1-OD2 3.32Å; T438-F442 PolarHBondContact O-N 3.23Å; T438-H481 WeakPolarHBondContact CG2-O 3.15Å; T438-C483 CarbonylContact C-O 3.59Å; T438-C483 WeakPolarHBondContact CA-O 3.35Å; T438-L484 HydrophobicContact CG2-CD2 4.03Å
439	L	93.6	Very high	86	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.4	-35.2	173.9	174.6	64.1	0	0	0	111.4	F442 I443 F457 I461 S480 C483 V485 V561 I565	L439-F442 WeakPolarHBondContact O-CB 3.36Å; L439-F442 PolarHBondContact O-N 2.83Å; L439-I443 HydrophobicContact CD1-CD1 4.13Å; L439-I443 HydrophobicContact CD1-CG1 4.1Å; L439-I443 HydrophobicContact CD2-CD1 4.48Å; L439-I443 HydrophobicContact CG-CD1 3.87Å; L439-I443 HydrophobicContact CG-CG1 4.31Å; L439-I443 VanDerWaalsContact O-CG1 3.26Å; L439-I443 WeakPolarHBondContact O-CG1 3.4Å; L439-I443 PolarHBondContact O-N 2.87Å; L439-F457 HydrophobicContact CD1-CD2 3.49Å; L439-F457 VanDerWaalsContact CD1-CD2 3.49Å; L439-F457 HydrophobicContact CD1-CE2 3.81Å; L439-I461 HydrophobicContact CD2-CD1 3.82Å; L439-S480 WeakPolarHBondContact CB-O 3.42Å; L439-S480 PolarHBondContact N-O 2.86Å; L439-C483 HydrophobicContact CB-CB 3.74Å; L439-C483 WeakPolarHBondContact CB-O 3.48Å; L439-C483 HydrophobicContact CD2-CB 3.85Å; L439-C483 HydrophobicContact CG-CB 4.47Å; L439-C483 PolarHBondContact N-O 3.29Å; L439-V485 HydrophobicContact CB-CG2 4.27Å; L439-V485 HydrophobicContact CD1-CG2 4.33Å; L439-V561 HydrophobicContact CD2-CG1 3.87Å; L439-I565 HydrophobicContact CD2-CD1 4.27Å; L439-I565 HydrophobicContact CD2-CG1 4.48Å
440	K	91.3	Very high	86.4	Confident	51 Å²	51	52.6 Å²	52.6	22%	0.222	28%	0.282	C	S	.	.	H	α-helix	trans	-58.1	-49.3	174.5	-178.1	-174.8	-178.7	176.3	0	112.1	T438 F442 I443 R444 S480 H481 Y570	T438-K440 PolarHBondContact O-N 3.23Å; K440-F442 VanDerWaalsContact C-N 3.27Å; K440-F442 PolarHBondContact O-N 3.31Å; K440-I443 PolarHBondContact O-N 3.16Å; K440-R444 PolarHBondContact O-N 2.82Å; K440-S480 PolarHBondContact N-O 2.86Å; K440-H481 WeakPolarHBondContact CD-CE1 3.43Å; K440-H481 VanDerWaalsContact CD-NE2 3.3Å; K440-H481 WeakPolarHBondContact CD-NE2 3.14Å; K440-H481 PolarHBondContact NZ-CE1 3.06Å; K440-H481 PolarHBondContact NZ-NE2 3.38Å; K440-Y570 HydrophobicContact CD-CE1 4.47Å; K440-Y570 HydrophobicContact CG-CE1 4.33Å
441	D	88.6	Confident	86.6	Confident	56 Å²	56	53.5 Å²	53.5	30%	0.299	29%	0.286	S	S	.	.	H	α-helix	trans	-64.3	-39.1	178.4	-63.8	-52.1	0	0	0	110.2	T438 I443 R444 D445	T438-D441 PolarHBondContact O-N 3.1Å; T438-D441 PolarHBondContact OG1-N 2.76Å; T438-D441 PolarHBondContact OG1-OD2 3.32Å; D441-I443 PolarHBondContact O-N 2.91Å; D441-R444 WeakPolarHBondContact O-CB 3.23Å; D441-R444 PolarHBondContact O-N 2.89Å; D441-R444 IonicContact OD1-CZ 3.75Å; D441-R444 IonicContact OD1-NH1 3.45Å; D441-R444 PolarHBondContact OD1-NH1 2.87Å; D441-R444 IonicContact OD1-NH2 2.68Å; D441-R444 PolarHBondContact OD1-NH2 3.12Å; D441-D445 WeakPolarHBondContact O-CB 3.4Å; D441-D445 VanDerWaalsContact O-CG 3.31Å; D441-D445 PolarHBondContact O-N 2.77Å
442	F	88	Confident	86.8	Confident	30 Å²	30	56.6 Å²	56.6	13%	0.132	30%	0.298	C	S	.	.	H	α-helix	trans	-60.6	-43.8	175.5	-165	-81.3	0	0	0	113.2	T438 L439 K440 R444 M446 F449 F457 V485	T438-F442 PolarHBondContact O-N 3.23Å; L439-F442 WeakPolarHBondContact O-CB 3.36Å; L439-F442 PolarHBondContact O-N 2.83Å; K440-F442 VanDerWaalsContact C-N 3.27Å; K440-F442 PolarHBondContact O-N 3.31Å; F442-R444 PolarHBondContact O-N 3.03Å; F442-M446 HydrophobicContact CD1-CG 3.93Å; F442-M446 HydrophobicContact CD2-CG 4.42Å; F442-M446 HydrophobicContact CE1-CB 4.37Å; F442-M446 HydrophobicContact CE1-CG 3.56Å; F442-M446 HydrophobicContact CE2-CG 4.08Å; F442-M446 HydrophobicContact CG-CG 4.35Å; F442-M446 HydrophobicContact CZ-CG 3.63Å; F442-M446 HydrophobicContact CZ-SD 4.2Å; F442-M446 WeakPolarHBondContact O-CB 3.13Å; F442-M446 PolarHBondContact O-N 3.3Å; F442-F449 HydrophobicContact CD1-CE2 4.4Å; F442-F449 HydrophobicContact CE1-CD2 4.21Å; F442-F449 AromaticContact CE1-CE2 3.95Å; F442-F449 HydrophobicContact CE1-CE2 3.95Å; F442-F457 AromaticContact CD1-CE2 3.51Å; F442-F457 HydrophobicContact CD1-CE2 3.51Å; F442-F457 HydrophobicContact CD1-CZ 4.03Å; F442-F457 AromaticContact CE1-CE2 3.45Å; F442-F457 HydrophobicContact CE1-CE2 3.45Å; F442-F457 VanDerWaalsContact CE1-CE2 3.45Å; F442-F457 AromaticContact CE1-CZ 3.59Å; F442-F457 HydrophobicContact CE1-CZ 3.59Å; F442-F457 HydrophobicContact CE2-CZ 4.32Å; F442-F457 HydrophobicContact CG-CE2 4.17Å; F442-F457 HydrophobicContact CZ-CE2 4.1Å; F442-F457 AromaticContact CZ-CZ 3.76Å; F442-F457 HydrophobicContact CZ-CZ 3.76Å; F442-V485 HydrophobicContact CB-CG2 4.2Å; F442-V485 HydrophobicContact CD2-CB 4.32Å; F442-V485 HydrophobicContact CD2-CG1 3.96Å; F442-V485 HydrophobicContact CD2-CG2 4.34Å; F442-V485 HydrophobicContact CE2-CG1 4.09Å; F442-V485 HydrophobicContact CG-CG2 4.31Å
443	I	87.4	Confident	86.8	Confident	14 Å²	14	56 Å²	56	7%	0.072	30%	0.296	C	S	.	.	H	α-helix	trans	-62.3	-34.4	177.8	-70	166	0	0	0	111	L439 K440 D441 F449 E564 I565 K568	L439-I443 HydrophobicContact CD1-CD1 4.13Å; L439-I443 HydrophobicContact CD1-CG1 4.1Å; L439-I443 HydrophobicContact CD2-CD1 4.48Å; L439-I443 HydrophobicContact CG-CD1 3.87Å; L439-I443 HydrophobicContact CG-CG1 4.31Å; L439-I443 VanDerWaalsContact O-CG1 3.26Å; L439-I443 WeakPolarHBondContact O-CG1 3.4Å; L439-I443 PolarHBondContact O-N 2.87Å; K440-I443 PolarHBondContact O-N 3.16Å; D441-I443 PolarHBondContact O-N 2.91Å; I443-F449 HydrophobicContact CG1-CE1 4.07Å; I443-E564 HydrophobicContact CD1-CB 4.05Å; I443-I565 HydrophobicContact CD1-CG1 3.97Å; I443-K568 HydrophobicContact CG2-CB 4.23Å; I443-K568 HydrophobicContact CG2-CG 4.28Å
444	R	80.9	Confident	86.9	Confident	124 Å²	124	54.9 Å²	54.9	47%	0.468	29%	0.29	S	S	.	.	H	α-helix	trans	-75.6	-46.8	-180	-175.7	-173.8	67.8	-131.9	-11.9	112.5	K440 D441 F442 Y570	K440-R444 PolarHBondContact O-N 2.82Å; D441-R444 WeakPolarHBondContact O-CB 3.23Å; D441-R444 PolarHBondContact O-N 2.89Å; D441-R444 IonicContact OD1-CZ 3.75Å; D441-R444 IonicContact OD1-NH1 3.45Å; D441-R444 PolarHBondContact OD1-NH1 2.87Å; D441-R444 IonicContact OD1-NH2 2.68Å; D441-R444 PolarHBondContact OD1-NH2 3.12Å; F442-R444 PolarHBondContact O-N 3.03Å; R444-Y570 WeakPolarHBondContact CD-OH 3.32Å
445	D	76	Confident	87.1	Confident	98 Å²	98	54.3 Å²	54.3	52%	0.524	29%	0.287	S	S	.	.	H	α-helix	trans	-90.2	-12.6	-163.2	-62.7	-20.9	0	0	0	113.3	D441 D447	D441-D445 WeakPolarHBondContact O-CB 3.4Å; D441-D445 VanDerWaalsContact O-CG 3.31Å; D441-D445 PolarHBondContact O-N 2.77Å; D445-D447 PolarHBondContact O-N 3.09Å
446	M	71.4	Confident	87.4	Confident	58 Å²	58	50.2 Å²	50.2	29%	0.286	27%	0.273	S	S	.	.			trans	-87.8	107	179.7	-81.4	-64.5	-46	0	0	113.5	F442 T448 F449 K568	F442-M446 HydrophobicContact CD1-CG 3.93Å; F442-M446 HydrophobicContact CD2-CG 4.42Å; F442-M446 HydrophobicContact CE1-CB 4.37Å; F442-M446 HydrophobicContact CE1-CG 3.56Å; F442-M446 HydrophobicContact CE2-CG 4.08Å; F442-M446 HydrophobicContact CG-CG 4.35Å; F442-M446 HydrophobicContact CZ-CG 3.63Å; F442-M446 HydrophobicContact CZ-SD 4.2Å; F442-M446 WeakPolarHBondContact O-CB 3.13Å; F442-M446 PolarHBondContact O-N 3.3Å; M446-T448 WeakPolarHBondContact CE-O 3.45Å; M446-F449 HydrophobicContact CB-CB 4.48Å; M446-K568 PolarHBondContact O-NZ 2.83Å
447	D	67.2	Low	87.8	Confident	158 Å²	158	48.8 Å²	48.8	85%	0.845	26%	0.258	S	S	*	.	S	Bend	trans	-57.9	-52.4	171.2	-72.2	-30.8	0	0	0	111.1	D445	D445-D447 PolarHBondContact O-N 3.09Å
448	T	74.8	Confident	88.1	Confident	108 Å²	108	47.3 Å²	47.3	66%	0.663	24%	0.243	S	C	*	.			trans	-99	98.4	177.3	56.9	0	0	0	0	111	M446 P450	M446-T448 WeakPolarHBondContact CE-O 3.45Å; T448-P450 VanDerWaalsContact O-CD 3.25Å; T448-P450 WeakPolarHBondContact O-CD 3.46Å
449	F	84	Confident	88.4	Confident	10 Å²	10	49.1 Å²	49.1	4%	0.044	25%	0.249	C	C	.	.			trans	-112.9	85	176.6	-168.3	-162.3	0	0	0	110.5	F442 I443 M446 Q453 R454 F457 I565 K568	F442-F449 HydrophobicContact CD1-CE2 4.4Å; F442-F449 HydrophobicContact CE1-CD2 4.21Å; F442-F449 AromaticContact CE1-CE2 3.95Å; F442-F449 HydrophobicContact CE1-CE2 3.95Å; I443-F449 HydrophobicContact CG1-CE1 4.07Å; M446-F449 HydrophobicContact CB-CB 4.48Å; F449-Q453 HydrophobicContact CE2-CB 4.47Å; F449-Q453 HydrophobicContact CE2-CG 4.26Å; F449-R454 HydrophobicContact CD1-CG 3.79Å; F449-R454 VanDerWaalsContact CD1-NE 3.34Å; F449-R454 HydrophobicContact CD2-CG 3.69Å; F449-R454 HydrophobicContact CE1-CG 3.6Å; F449-R454 HydrophobicContact CE2-CB 4.4Å; F449-R454 HydrophobicContact CE2-CG 3.49Å; F449-R454 VanDerWaalsContact CE2-CG 3.49Å; F449-R454 HydrophobicContact CG-CG 3.86Å; F449-R454 HydrophobicContact CZ-CB 4.36Å; F449-R454 HydrophobicContact CZ-CG 3.47Å; F449-R454 VanDerWaalsContact CZ-CG 3.47Å; F449-R454 PolarHBondContact O-NE 3.21Å; F449-R454 PolarHBondContact O-NH2 3.39Å; F449-F457 HydrophobicContact CE2-CD2 4.03Å; F449-F457 AromaticContact CE2-CE2 3.95Å; F449-F457 HydrophobicContact CE2-CE2 3.95Å; F449-F457 AromaticContact CZ-CD2 3.88Å; F449-F457 HydrophobicContact CZ-CD2 3.88Å; F449-F457 HydrophobicContact CZ-CE2 4.07Å; F449-I565 HydrophobicContact CE1-CG2 4.18Å; F449-I565 HydrophobicContact CZ-CG2 4.19Å; F449-K568 VanDerWaalsContact CB-CE 3.46Å; F449-K568 HydrophobicContact CD1-CG 4.5Å
450	P	91.9	Very high	88.5	Confident	59 Å²	59	49.5 Å²	49.5	38%	0.383	25%	0.252	S	S	.	.			trans	-69.6	149.9	-173.4	28.8	-34.7	0	0	0	111.9	T448 Q452 Q453 R454	T448-P450 VanDerWaalsContact O-CD 3.25Å; T448-P450 WeakPolarHBondContact O-CD 3.46Å; P450-Q452 VanDerWaalsContact C-N 3.3Å; P450-Q452 PolarHBondContact O-N 3.08Å; P450-Q453 HydrophobicContact CG-CB 3.93Å; P450-Q453 PolarHBondContact O-N 3.34Å; P450-Q453 VanDerWaalsContact O-N 3.08Å; P450-R454 PolarHBondContact O-N 3.46Å; P450-R454 VanDerWaalsContact O-N 3.09Å
451	W	94	Very high	88.8	Confident	20 Å²	20	47 Å²	47	8%	0.076	24%	0.241	C	C	.	.	H	α-helix	trans	-61.1	-35.7	-176.2	-68.5	109.8	0	0	0	113.9	Q453 R454 V455 I566 P595 D597 C598 P599 F602 L634	W451-Q453 VanDerWaalsContact C-N 3.26Å; W451-Q453 PolarHBondContact O-N 3.17Å; W451-R454 HydrophobicContact CE3-CB 4.39Å; W451-R454 WeakPolarHBondContact O-CB 3.38Å; W451-R454 PolarHBondContact O-N 3.45Å; W451-R454 VanDerWaalsContact O-N 3.17Å; W451-V455 WeakPolarHBondContact O-CG2 3.38Å; W451-V455 PolarHBondContact O-N 2.88Å; W451-I566 HydrophobicContact CH2-CG2 4.34Å; W451-I566 HydrophobicContact CZ3-CG1 4.48Å; W451-I566 HydrophobicContact CZ3-CG2 4.48Å; W451-P595 HydrophobicContact CH2-CB 4.32Å; W451-P595 HydrophobicContact CH2-CG 3.85Å; W451-P595 HydrophobicContact CZ2-CB 3.87Å; W451-P595 HydrophobicContact CZ2-CG 3.85Å; W451-D597 PolarHBondContact NE1-O 3.39Å; W451-D597 VanDerWaalsContact NE1-O 3.16Å; W451-D597 PolarHBondContact NE1-OD1 3.11Å; W451-D597 PolarHBondContact NE1-OD2 3.19Å; W451-C598 HydrophobicContact CH2-CB 3.77Å; W451-C598 HydrophobicContact CZ2-CB 3.99Å; W451-C598 HydrophobicContact CZ3-CB 4.28Å; W451-P599 HydrophobicContact CB-CG 3.67Å; W451-P599 HydrophobicContact CD2-CG 4Å; W451-P599 HydrophobicContact CE3-CG 4.06Å; W451-P599 HydrophobicContact CG-CG 3.82Å; W451-F602 AromaticContact CE3-CD1 3.96Å; W451-F602 HydrophobicContact CE3-CD1 3.96Å; W451-F602 HydrophobicContact CE3-CE1 4.05Å; W451-F602 AromaticContact CZ3-CD1 3.88Å; W451-F602 HydrophobicContact CZ3-CD1 3.88Å; W451-F602 AromaticContact CZ3-CE1 3.99Å; W451-F602 HydrophobicContact CZ3-CE1 3.99Å; W451-L634 HydrophobicContact CB-CD1 4.42Å
452	Q	93.9	Very high	89.3	Confident	87 Å²	87	44.4 Å²	44.4	41%	0.407	23%	0.227	S	C	.	.	H	α-helix	trans	-56.8	-43.6	175.4	-66.3	77.9	5.5	0	0	110.8	P450 S456 L634	P450-Q452 VanDerWaalsContact C-N 3.3Å; P450-Q452 PolarHBondContact O-N 3.08Å; Q452-S456 WeakPolarHBondContact O-CB 3.48Å; Q452-S456 PolarHBondContact O-N 3.24Å; Q452-L634 HydrophobicContact CG-CB 4.16Å
453	Q	93.4	Very high	89.8	Confident	31 Å²	31	43.4 Å²	43.4	15%	0.145	22%	0.224	C	C	.	.	H	α-helix	trans	-71.1	-39	178	-169.9	170.6	11.9	0	0	111.9	F449 P450 W451 V455 S456 F457 N489	F449-Q453 HydrophobicContact CE2-CB 4.47Å; F449-Q453 HydrophobicContact CE2-CG 4.26Å; P450-Q453 HydrophobicContact CG-CB 3.93Å; P450-Q453 PolarHBondContact O-N 3.34Å; P450-Q453 VanDerWaalsContact O-N 3.08Å; W451-Q453 VanDerWaalsContact C-N 3.26Å; W451-Q453 PolarHBondContact O-N 3.17Å; Q453-V455 PolarHBondContact O-N 3.19Å; Q453-S456 WeakPolarHBondContact O-CB 3.43Å; Q453-S456 PolarHBondContact O-N 3.49Å; Q453-F457 HydrophobicContact CG-CD1 4.11Å; Q453-F457 HydrophobicContact CG-CE1 3.63Å; Q453-F457 HydrophobicContact CG-CZ 3.93Å; Q453-F457 VanDerWaalsContact O-CD1 3.25Å; Q453-F457 WeakPolarHBondContact O-CD1 3.34Å; Q453-F457 WeakPolarHBondContact O-CG 3.45Å; Q453-F457 PolarHBondContact O-N 2.92Å; Q453-N489 PolarHBondContact NE2-ND2 3.04Å; Q453-N489 PolarHBondContact NE2-OD1 3.36Å; Q453-N489 VanDerWaalsContact NE2-OD1 3.1Å
454	R	95	Very high	90.2	Very high	19 Å²	19	42.8 Å²	42.8	7%	0.072	22%	0.22	C	C	.	.	H	α-helix	trans	-59.3	-45.4	174.8	-67.2	-174.5	-163.7	-163.4	23.3	112.4	F449 P450 W451 F457 A458 I565 I566 F602	F449-R454 HydrophobicContact CD1-CG 3.79Å; F449-R454 VanDerWaalsContact CD1-NE 3.34Å; F449-R454 HydrophobicContact CD2-CG 3.69Å; F449-R454 HydrophobicContact CE1-CG 3.6Å; F449-R454 HydrophobicContact CE2-CB 4.4Å; F449-R454 HydrophobicContact CE2-CG 3.49Å; F449-R454 VanDerWaalsContact CE2-CG 3.49Å; F449-R454 HydrophobicContact CG-CG 3.86Å; F449-R454 HydrophobicContact CZ-CB 4.36Å; F449-R454 HydrophobicContact CZ-CG 3.47Å; F449-R454 VanDerWaalsContact CZ-CG 3.47Å; F449-R454 PolarHBondContact O-NE 3.21Å; F449-R454 PolarHBondContact O-NH2 3.39Å; P450-R454 PolarHBondContact O-N 3.46Å; P450-R454 VanDerWaalsContact O-N 3.09Å; W451-R454 HydrophobicContact CE3-CB 4.39Å; W451-R454 WeakPolarHBondContact O-CB 3.38Å; W451-R454 PolarHBondContact O-N 3.45Å; W451-R454 VanDerWaalsContact O-N 3.17Å; R454-F457 PolarHBondContact O-N 3.34Å; R454-A458 PolarHBondContact O-N 3.41Å; R454-I565 HydrophobicContact CB-CG2 3.57Å; R454-I565 WeakPolarHBondContact CD-O 3.1Å; R454-I565 HydrophobicContact CG-CG2 3.77Å; R454-I565 PolarHBondContact NH1-O 2.93Å; R454-I566 PolarHBondContact NH1-O 3.04Å; R454-F602 HydrophobicContact CB-CE1 4.06Å; R454-F602 HydrophobicContact CB-CZ 4.32Å
455	V	96.6	Very high	91	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-67.5	-40.6	177	173.7	0	0	0	0	110.5	W451 Q453 F457 A458 K459 F602 F627 L630 L634	W451-V455 WeakPolarHBondContact O-CG2 3.38Å; W451-V455 PolarHBondContact O-N 2.88Å; Q453-V455 PolarHBondContact O-N 3.19Å; V455-F457 VanDerWaalsContact C-N 3.31Å; V455-F457 PolarHBondContact O-N 3.21Å; V455-A458 PolarHBondContact O-N 3.05Å; V455-K459 WeakPolarHBondContact O-CB 3.27Å; V455-K459 PolarHBondContact O-N 2.97Å; V455-F602 HydrophobicContact CG2-CD1 4.28Å; V455-F602 HydrophobicContact CG2-CD2 4.15Å; V455-F602 HydrophobicContact CG2-CE1 4.19Å; V455-F602 HydrophobicContact CG2-CE2 4.07Å; V455-F602 HydrophobicContact CG2-CG 4.27Å; V455-F602 HydrophobicContact CG2-CZ 4.1Å; V455-F627 HydrophobicContact CG1-CB 4.42Å; V455-L630 HydrophobicContact CG1-CB 4.1Å; V455-L630 HydrophobicContact CG1-CD2 4.02Å; V455-L630 HydrophobicContact CG1-CG 4.05Å; V455-L630 HydrophobicContact CG2-CD2 3.66Å; V455-L630 HydrophobicContact CG2-CG 4.1Å; V455-L634 HydrophobicContact CB-CD1 4.3Å; V455-L634 HydrophobicContact CG2-CD1 3.78Å
456	S	96	Very high	92	Very high	47 Å²	47	32.6 Å²	32.6	33%	0.329	18%	0.176	S	C	.	.	H	α-helix	trans	-59.8	-38.8	173.7	179.2	0	0	0	0	112.7	Q452 Q453 K459 S460	Q452-S456 WeakPolarHBondContact O-CB 3.48Å; Q452-S456 PolarHBondContact O-N 3.24Å; Q453-S456 WeakPolarHBondContact O-CB 3.43Å; Q453-S456 PolarHBondContact O-N 3.49Å; S456-K459 PolarHBondContact O-N 3.49Å; S456-S460 WeakPolarHBondContact O-CB 3.4Å; S456-S460 PolarHBondContact O-N 2.81Å; S456-S460 PolarHBondContact O-OG 2.95Å
457	F	96.5	Very high	93.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.7	-47.4	174.9	-75.4	12	0	0	0	111.4	L439 F442 F449 Q453 R454 V455 K459 S460 I461 V485 N489 V491	L439-F457 HydrophobicContact CD1-CD2 3.49Å; L439-F457 VanDerWaalsContact CD1-CD2 3.49Å; L439-F457 HydrophobicContact CD1-CE2 3.81Å; F442-F457 AromaticContact CD1-CE2 3.51Å; F442-F457 HydrophobicContact CD1-CE2 3.51Å; F442-F457 HydrophobicContact CD1-CZ 4.03Å; F442-F457 AromaticContact CE1-CE2 3.45Å; F442-F457 HydrophobicContact CE1-CE2 3.45Å; F442-F457 VanDerWaalsContact CE1-CE2 3.45Å; F442-F457 AromaticContact CE1-CZ 3.59Å; F442-F457 HydrophobicContact CE1-CZ 3.59Å; F442-F457 HydrophobicContact CE2-CZ 4.32Å; F442-F457 HydrophobicContact CG-CE2 4.17Å; F442-F457 HydrophobicContact CZ-CE2 4.1Å; F442-F457 AromaticContact CZ-CZ 3.76Å; F442-F457 HydrophobicContact CZ-CZ 3.76Å; F449-F457 HydrophobicContact CE2-CD2 4.03Å; F449-F457 AromaticContact CE2-CE2 3.95Å; F449-F457 HydrophobicContact CE2-CE2 3.95Å; F449-F457 AromaticContact CZ-CD2 3.88Å; F449-F457 HydrophobicContact CZ-CD2 3.88Å; F449-F457 HydrophobicContact CZ-CE2 4.07Å; Q453-F457 HydrophobicContact CG-CD1 4.11Å; Q453-F457 HydrophobicContact CG-CE1 3.63Å; Q453-F457 HydrophobicContact CG-CZ 3.93Å; Q453-F457 VanDerWaalsContact O-CD1 3.25Å; Q453-F457 WeakPolarHBondContact O-CD1 3.34Å; Q453-F457 WeakPolarHBondContact O-CG 3.45Å; Q453-F457 PolarHBondContact O-N 2.92Å; R454-F457 PolarHBondContact O-N 3.34Å; V455-F457 VanDerWaalsContact C-N 3.31Å; V455-F457 PolarHBondContact O-N 3.21Å; F457-K459 VanDerWaalsContact C-N 3.33Å; F457-K459 PolarHBondContact O-N 3.31Å; F457-S460 PolarHBondContact O-N 3.12Å; F457-I461 VanDerWaalsContact O-CG1 3.29Å; F457-I461 WeakPolarHBondContact O-CG1 3.2Å; F457-I461 PolarHBondContact O-N 2.67Å; F457-V485 HydrophobicContact CE2-CG2 4.4Å; F457-V485 HydrophobicContact CZ-CG1 3.98Å; F457-N489 HydrophobicContact CE1-CB 4.05Å; F457-N489 WeakPolarHBondContact CE1-O 3.46Å; F457-V491 HydrophobicContact CB-CG2 3.84Å; F457-V491 HydrophobicContact CD1-CG2 3.44Å; F457-V491 VanDerWaalsContact CD1-CG2 3.44Å; F457-V491 HydrophobicContact CD2-CG2 4Å; F457-V491 HydrophobicContact CE1-CG2 3.9Å; F457-V491 HydrophobicContact CE2-CG2 4.38Å; F457-V491 HydrophobicContact CG-CG2 3.49Å; F457-V491 VanDerWaalsContact CG-CG2 3.49Å; F457-V491 HydrophobicContact CZ-CG2 4.34Å
458	A	97.7	Very high	94.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-57.5	-45.2	175.3	0	0	0	0	0	111.9	R454 V455 I461 A462 F558 L562 F602 F627	R454-A458 PolarHBondContact O-N 3.41Å; V455-A458 PolarHBondContact O-N 3.05Å; A458-I461 PolarHBondContact O-N 2.73Å; A458-A462 WeakPolarHBondContact O-CB 3.25Å; A458-A462 PolarHBondContact O-N 3.31Å; A458-F558 HydrophobicContact CB-CZ 4.32Å; A458-L562 HydrophobicContact CB-CD2 3.52Å; A458-F602 HydrophobicContact CB-CE2 3.92Å; A458-F602 HydrophobicContact CB-CZ 4.22Å; A458-F627 HydrophobicContact CB-CD1 4Å; A458-F627 HydrophobicContact CB-CD2 4.21Å; A458-F627 HydrophobicContact CB-CE1 3.88Å; A458-F627 HydrophobicContact CB-CE2 4.1Å; A458-F627 HydrophobicContact CB-CG 4.18Å; A458-F627 HydrophobicContact CB-CZ 3.94Å
459	K	97.6	Very high	95.1	Very high	62 Å²	62	21 Å²	21	27%	0.27	11%	0.107	S	C	.	.	H	α-helix	trans	-58.7	-49.1	175.2	-177.7	-177.9	170.1	-178.3	0	111.8	V455 S456 F457 I461 A462 S463 F627 D628	V455-K459 WeakPolarHBondContact O-CB 3.27Å; V455-K459 PolarHBondContact O-N 2.97Å; S456-K459 PolarHBondContact O-N 3.49Å; F457-K459 VanDerWaalsContact C-N 3.33Å; F457-K459 PolarHBondContact O-N 3.31Å; K459-I461 PolarHBondContact O-N 3.19Å; K459-A462 PolarHBondContact O-N 3.3Å; K459-S463 WeakPolarHBondContact O-CB 3.38Å; K459-S463 PolarHBondContact O-N 3.32Å; K459-F627 HydrophobicContact CB-CB 3.74Å; K459-F627 HydrophobicContact CG-CB 4.28Å; K459-D628 HydrophobicContact CD-CB 4.4Å; K459-D628 WeakPolarHBondContact CE-OD1 3.46Å; K459-D628 IonicContact NZ-OD1 2.91Å; K459-D628 PolarHBondContact NZ-OD1 3.04Å
460	S	97.1	Very high	95.5	Very high	7 Å²	7	24.6 Å²	24.6	5%	0.049	13%	0.133	C	C	.	.	H	α-helix	trans	-58.3	-47.3	-179.8	-65.4	0	0	0	0	111.7	H413 S456 F457 S463 G464	H413-S460 WeakPolarHBondContact CB-O 3.17Å; H413-S460 VanDerWaalsContact CE1-CB 3.48Å; H413-S460 WeakPolarHBondContact CE1-CB 3.14Å; H413-S460 PolarHBondContact CE1-OG 3.01Å; H413-S460 VanDerWaalsContact CE1-OG 3.22Å; H413-S460 VanDerWaalsContact CG-O 3.31Å; H413-S460 WeakPolarHBondContact ND1-CB 3.44Å; S456-S460 WeakPolarHBondContact O-CB 3.4Å; S456-S460 PolarHBondContact O-N 2.81Å; S456-S460 PolarHBondContact O-OG 2.95Å; F457-S460 PolarHBondContact O-N 3.12Å; S460-S463 PolarHBondContact O-N 2.87Å; S460-G464 PolarHBondContact O-N 2.96Å
461	I	98	Very high	95.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.8	-45.3	178	-62	162.9	0	0	0	110.4	L439 F457 A458 K459 S463 G464 M465 L478 C483 V491 V493 F558 V561 I565	L439-I461 HydrophobicContact CD2-CD1 3.82Å; F457-I461 VanDerWaalsContact O-CG1 3.29Å; F457-I461 WeakPolarHBondContact O-CG1 3.2Å; F457-I461 PolarHBondContact O-N 2.67Å; A458-I461 PolarHBondContact O-N 2.73Å; K459-I461 PolarHBondContact O-N 3.19Å; I461-S463 VanDerWaalsContact C-N 3.32Å; I461-S463 PolarHBondContact O-N 3.39Å; I461-G464 PolarHBondContact O-N 3.02Å; I461-M465 HydrophobicContact CG2-CG 4.35Å; I461-M465 WeakPolarHBondContact O-CB 3.47Å; I461-M465 WeakPolarHBondContact O-CG 3.06Å; I461-M465 PolarHBondContact O-N 3.18Å; I461-L478 HydrophobicContact CG2-CD1 4.35Å; I461-C483 HydrophobicContact CD1-CB 4.48Å; I461-V491 HydrophobicContact CD1-CG1 4.12Å; I461-V491 HydrophobicContact CG1-CB 4.31Å; I461-V491 HydrophobicContact CG1-CG1 3.59Å; I461-V493 HydrophobicContact CG2-CG2 4.18Å; I461-F558 HydrophobicContact CB-CD2 4.34Å; I461-F558 HydrophobicContact CB-CE2 3.82Å; I461-F558 HydrophobicContact CG2-CD2 3.6Å; I461-F558 HydrophobicContact CG2-CE2 3.6Å; I461-V561 HydrophobicContact CD1-CG1 4.18Å; I461-I565 HydrophobicContact CD1-CD1 4.49Å
462	A	98.2	Very high	94.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.8	-42.9	178.1	0	0	0	0	0	111.9	A458 K459 M465 A466 F558 F620 L623 E624 F627	A458-A462 WeakPolarHBondContact O-CB 3.25Å; A458-A462 PolarHBondContact O-N 3.31Å; K459-A462 PolarHBondContact O-N 3.3Å; A462-M465 PolarHBondContact O-N 2.84Å; A462-A466 VanDerWaalsContact O-CB 3.32Å; A462-A466 WeakPolarHBondContact O-CB 3.47Å; A462-A466 PolarHBondContact O-N 3.37Å; A462-F558 HydrophobicContact CB-CZ 4.17Å; A462-F620 HydrophobicContact CB-CD1 4.26Å; A462-L623 HydrophobicContact CB-CB 4.22Å; A462-E624 HydrophobicContact CB-CB 4.39Å; A462-F627 HydrophobicContact CB-CD2 4Å; A462-F627 HydrophobicContact CB-CE2 4.17Å
463	S	98.2	Very high	94.5	Very high	10 Å²	10	22.1 Å²	22.1	7%	0.07	12%	0.124	C	C	.	.	H	α-helix	trans	-61	-48.6	175.9	-172.4	0	0	0	0	112	H411 K459 S460 I461 M465 A466 Y467 E624	H411-S463 PolarHBondContact CE1-OG 3.15Å; H411-S463 VanDerWaalsContact CE1-OG 3.31Å; K459-S463 WeakPolarHBondContact O-CB 3.38Å; K459-S463 PolarHBondContact O-N 3.32Å; S460-S463 PolarHBondContact O-N 2.87Å; I461-S463 VanDerWaalsContact C-N 3.32Å; I461-S463 PolarHBondContact O-N 3.39Å; S463-M465 VanDerWaalsContact C-N 3.33Å; S463-M465 PolarHBondContact O-N 3.23Å; S463-A466 PolarHBondContact O-N 3.16Å; S463-Y467 PolarHBondContact O-N 2.84Å; S463-E624 WeakPolarHBondContact CB-OE1 3.39Å; S463-E624 PolarHBondContact OG-OE1 2.91Å
464	G	96.4	Very high	94.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.2	-41.3	175.9	0	0	0	0	0	113.1	V414 S460 I461 Y467 L468	V414-G464 WeakPolarHBondContact CG2-O 3.36Å; S460-G464 PolarHBondContact O-N 2.96Å; I461-G464 PolarHBondContact O-N 3.02Å; G464-Y467 WeakPolarHBondContact O-CB 3.47Å; G464-Y467 PolarHBondContact O-N 3.38Å; G464-L468 WeakPolarHBondContact O-CG 3.43Å; G464-L468 PolarHBondContact O-N 3.45Å; G464-L468 VanDerWaalsContact O-N 3.13Å
465	M	97	Very high	94	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-72.5	-36	178	-71.2	-54.3	-64.2	0	0	113.3	I461 A462 S463 Y467 L468 H469 H475 L478 V493 D554 F620	I461-M465 HydrophobicContact CG2-CG 4.35Å; I461-M465 WeakPolarHBondContact O-CB 3.47Å; I461-M465 WeakPolarHBondContact O-CG 3.06Å; I461-M465 PolarHBondContact O-N 3.18Å; A462-M465 PolarHBondContact O-N 2.84Å; S463-M465 VanDerWaalsContact C-N 3.33Å; S463-M465 PolarHBondContact O-N 3.23Å; M465-Y467 VanDerWaalsContact C-N 3.3Å; M465-Y467 PolarHBondContact O-N 3.3Å; M465-L468 HydrophobicContact CE-CD1 4.46Å; M465-L468 PolarHBondContact O-N 2.85Å; M465-L468 HydrophobicContact SD-CD1 3.68Å; M465-H469 PolarHBondContact O-N 3.09Å; M465-H475 HydrophobicContact CE-CB 3.63Å; M465-H475 HydrophobicContact SD-CB 4.32Å; M465-L478 HydrophobicContact CE-CD2 4.23Å; M465-L478 HydrophobicContact CG-CD1 4.47Å; M465-L478 HydrophobicContact CG-CD2 3.99Å; M465-L478 HydrophobicContact SD-CD1 4.13Å; M465-L478 HydrophobicContact SD-CD2 4.18Å; M465-V493 HydrophobicContact CG-CG2 4.41Å; M465-V493 HydrophobicContact SD-CG1 3.96Å; M465-V493 HydrophobicContact SD-CG2 4.47Å; M465-D554 HydrophobicContact CE-CB 3.66Å; M465-D554 WeakPolarHBondContact CE-OD2 3.5Å; M465-F620 HydrophobicContact CB-CB 4.34Å; M465-F620 HydrophobicContact CB-CD1 3.6Å; M465-F620 HydrophobicContact CB-CD2 3.58Å; M465-F620 HydrophobicContact CB-CE1 3.61Å; M465-F620 HydrophobicContact CB-CE2 3.59Å; M465-F620 HydrophobicContact CB-CG 3.58Å; M465-F620 HydrophobicContact CB-CZ 3.6Å; M465-F620 HydrophobicContact CE-CE2 3.93Å; M465-F620 HydrophobicContact CE-CZ 4.2Å; M465-F620 HydrophobicContact CG-CD1 4.43Å; M465-F620 HydrophobicContact CG-CE1 3.96Å; M465-F620 HydrophobicContact CG-CE2 4.14Å; M465-F620 HydrophobicContact CG-CZ 3.8Å
466	A	97.1	Very high	93.5	Very high	8 Å²	8	20.5 Å²	20.5	7%	0.066	12%	0.116	C	C	.	.	H	α-helix	trans	-58.9	-44.7	172.2	0	0	0	0	0	110.6	A462 S463 H469 S470 F620	A462-A466 VanDerWaalsContact O-CB 3.32Å; A462-A466 WeakPolarHBondContact O-CB 3.47Å; A462-A466 PolarHBondContact O-N 3.37Å; S463-A466 PolarHBondContact O-N 3.16Å; A466-H469 PolarHBondContact O-N 3.37Å; A466-S470 PolarHBondContact O-N 2.98Å; A466-F620 HydrophobicContact CB-CB 3.81Å
467	Y	95.3	Very high	93.1	Very high	45 Å²	45	19 Å²	19	18%	0.176	11%	0.105	C	C	.	.	H	α-helix	trans	-59.4	-47.8	174.8	176.8	-101	0	0	0	112.3	S408 L409 D410 H411 V414 S463 G464 M465 H469 S470 M471	S408-Y467 PolarHBondContact O-OH 2.99Å; L409-Y467 WeakPolarHBondContact CA-OH 2.98Å; L409-Y467 HydrophobicContact CB-CE1 4.13Å; L409-Y467 HydrophobicContact CD2-CE1 3.73Å; L409-Y467 HydrophobicContact CG-CE1 4.5Å; D410-Y467 PolarHBondContact N-OH 2.98Å; D410-Y467 PolarHBondContact O-OH 2.69Å; H411-Y467 HydrophobicContact CB-CD1 3.53Å; H411-Y467 HydrophobicContact CB-CD2 4.12Å; H411-Y467 HydrophobicContact CB-CE1 3.73Å; H411-Y467 HydrophobicContact CB-CE2 4.3Å; H411-Y467 HydrophobicContact CB-CG 3.72Å; H411-Y467 AromaticContact CD2-CD2 3.74Å; H411-Y467 AromaticContact CD2-CG 3.68Å; H411-Y467 AromaticContact CG-CD1 3.98Å; H411-Y467 AromaticContact CG-CG 3.7Å; V414-Y467 HydrophobicContact CG2-CD1 3.98Å; S463-Y467 PolarHBondContact O-N 2.84Å; G464-Y467 WeakPolarHBondContact O-CB 3.47Å; G464-Y467 PolarHBondContact O-N 3.38Å; M465-Y467 VanDerWaalsContact C-N 3.3Å; M465-Y467 PolarHBondContact O-N 3.3Å; Y467-H469 PolarHBondContact O-N 3.05Å; Y467-S470 WeakPolarHBondContact O-CB 3.26Å; Y467-S470 PolarHBondContact O-N 3.23Å; Y467-S470 PolarHBondContact O-OG 3.19Å; Y467-M471 HydrophobicContact CE1-CG 4.26Å; Y467-M471 HydrophobicContact CE2-CG 4.38Å; Y467-M471 WeakPolarHBondContact O-CG 3.49Å; Y467-M471 PolarHBondContact O-N 3.27Å; Y467-M471 VanDerWaalsContact O-N 3.09Å
468	L	91.9	Very high	93	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.2	-42.7	178.4	-69	166.8	0	0	0	112.6	L409 V414 G464 M465 S470 M471 S472 I473 F496	L409-L468 HydrophobicContact CD1-CD2 3.76Å; L409-L468 HydrophobicContact CD2-CD2 4.33Å; V414-L468 HydrophobicContact CG1-CD2 4.17Å; V414-L468 HydrophobicContact CG2-CD1 4.44Å; V414-L468 HydrophobicContact CG2-CD2 4.46Å; V414-L468 HydrophobicContact CG2-CG 4.18Å; G464-L468 WeakPolarHBondContact O-CG 3.43Å; G464-L468 PolarHBondContact O-N 3.45Å; G464-L468 VanDerWaalsContact O-N 3.13Å; M465-L468 HydrophobicContact CE-CD1 4.46Å; M465-L468 PolarHBondContact O-N 2.85Å; M465-L468 HydrophobicContact SD-CD1 3.68Å; L468-S470 VanDerWaalsContact C-N 3.31Å; L468-S470 PolarHBondContact O-N 3.23Å; L468-M471 CarbonylContact O-C 3.59Å; L468-M471 WeakPolarHBondContact O-CA 3.41Å; L468-M471 PolarHBondContact O-N 2.76Å; L468-M471 VanDerWaalsContact O-N 3.1Å; L468-S472 PolarHBondContact O-N 3.45Å; L468-I473 HydrophobicContact CB-CB 4.4Å; L468-I473 HydrophobicContact CD2-CD1 4.1Å; L468-I473 WeakPolarHBondContact O-CB 3.36Å; L468-I473 PolarHBondContact O-N 3.47Å; L468-F496 HydrophobicContact CD1-CD1 3.95Å; L468-F496 HydrophobicContact CD1-CE1 3.13Å; L468-F496 HydrophobicContact CD1-CZ 3.53Å; L468-F496 HydrophobicContact CD2-CE1 4.25Å; L468-F496 HydrophobicContact CD2-CZ 4.31Å; L468-F496 HydrophobicContact CG-CE1 4.31Å; L468-F496 HydrophobicContact CG-CZ 4.5Å
469	H	92.3	Very high	92.7	Very high	36 Å²	36	19.3 Å²	19.3	17%	0.167	11%	0.106	C	C	.	.	H	α-helix	trans	-65.5	-35.6	176.6	-75.1	-161.6	0	0	0	111.6	M465 A466 Y467 M471 S472 I473 E551 D554 F620	M465-H469 PolarHBondContact O-N 3.09Å; A466-H469 PolarHBondContact O-N 3.37Å; Y467-H469 PolarHBondContact O-N 3.05Å; H469-M471 PolarHBondContact O-N 3.27Å; H469-S472 WeakPolarHBondContact O-CA 3.46Å; H469-S472 PolarHBondContact O-N 3.16Å; H469-I473 PolarHBondContact CD2-O 3.09Å; H469-I473 VanDerWaalsContact CD2-O 3.28Å; H469-E551 PolarHBondContact CE1-O 3.48Å; H469-E551 VanDerWaalsContact CE1-O 3.22Å; H469-D554 IonicContact CD2-OD2 3.42Å; H469-D554 IonicContact CE1-OD2 3.79Å; H469-D554 IonicContact NE2-OD2 3.32Å; H469-D554 PolarHBondContact NE2-OD2 3.17Å; H469-F620 AromaticContact CE1-CD2 3.34Å; H469-F620 WeakPolarHBondContact CE1-CD2 3.46Å; H469-F620 AromaticContact CE1-CE2 3.41Å; H469-F620 VanDerWaalsContact CE1-CE2 3.41Å; H469-F620 WeakPolarHBondContact CE1-CE2 3.48Å; H469-F620 AromaticContact ND1-CD2 3.49Å; H469-F620 WeakPolarHBondContact ND1-CD2 3.38Å; H469-F620 AromaticContact NE2-CD2 3.97Å; H469-F620 AromaticContact NE2-CE2 3.83Å
470	S	91.4	Very high	92.6	Very high	85 Å²	85	16.4 Å²	16.4	59%	0.594	9%	0.093	S	C	*	.	H	α-helix	trans	-62.3	-31.5	172.5	85.7	0	0	0	0	112.5	A466 Y467 L468 S472	A466-S470 PolarHBondContact O-N 2.98Å; Y467-S470 WeakPolarHBondContact O-CB 3.26Å; Y467-S470 PolarHBondContact O-N 3.23Å; Y467-S470 PolarHBondContact O-OG 3.19Å; L468-S470 VanDerWaalsContact C-N 3.31Å; L468-S470 PolarHBondContact O-N 3.23Å; S470-S472 PolarHBondContact O-N 2.79Å
471	M	86.9	Confident	92.2	Very high	63 Å²	63	19.5 Å²	19.5	31%	0.31	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	8.4	173.7	-63.1	-63.3	-74.3	0	0	112.9	L409 Y467 L468 H469 I473	L409-M471 HydrophobicContact CD2-CB 4.21Å; L409-M471 HydrophobicContact CD2-CE 4.37Å; L409-M471 HydrophobicContact CD2-CG 4.02Å; Y467-M471 HydrophobicContact CE1-CG 4.26Å; Y467-M471 HydrophobicContact CE2-CG 4.38Å; Y467-M471 WeakPolarHBondContact O-CG 3.49Å; Y467-M471 PolarHBondContact O-N 3.27Å; Y467-M471 VanDerWaalsContact O-N 3.09Å; L468-M471 CarbonylContact O-C 3.59Å; L468-M471 WeakPolarHBondContact O-CA 3.41Å; L468-M471 PolarHBondContact O-N 2.76Å; L468-M471 VanDerWaalsContact O-N 3.1Å; H469-M471 PolarHBondContact O-N 3.27Å; M471-I473 VanDerWaalsContact C-N 3.3Å; M471-I473 HydrophobicContact CB-CD1 3.95Å; M471-I473 HydrophobicContact CB-CG1 4.21Å; M471-I473 PolarHBondContact O-N 2.81Å
472	S	85.4	Confident	91.9	Very high	43 Å²	43	20.3 Å²	20.3	30%	0.301	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	34.7	-179.6	-55.6	0	0	0	0	113.7	L468 H469 S470 I502	L468-S472 PolarHBondContact O-N 3.45Å; H469-S472 WeakPolarHBondContact O-CA 3.46Å; H469-S472 PolarHBondContact O-N 3.16Å; S470-S472 PolarHBondContact O-N 2.79Å; S472-I502 PolarHBondContact O-N 3.41Å
473	I	85.6	Confident	91.8	Very high	9 Å²	9	20.3 Å²	20.3	5%	0.046	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.1	178.8	-57.9	169.7	0	0	0	108.9	V405 L409 L468 H469 M471 L501	V405-I473 HydrophobicContact CG1-CD1 3.31Å; V405-I473 HydrophobicContact CG1-CG1 3.87Å; L409-I473 HydrophobicContact CD1-CD1 4.05Å; L409-I473 HydrophobicContact CD2-CD1 3.69Å; L409-I473 HydrophobicContact CG-CD1 4.4Å; L468-I473 HydrophobicContact CB-CB 4.4Å; L468-I473 HydrophobicContact CD2-CD1 4.1Å; L468-I473 WeakPolarHBondContact O-CB 3.36Å; L468-I473 PolarHBondContact O-N 3.47Å; H469-I473 PolarHBondContact CD2-O 3.09Å; H469-I473 VanDerWaalsContact CD2-O 3.28Å; M471-I473 VanDerWaalsContact C-N 3.3Å; M471-I473 HydrophobicContact CB-CD1 3.95Å; M471-I473 HydrophobicContact CB-CG1 4.21Å; M471-I473 PolarHBondContact O-N 2.81Å; I473-L501 HydrophobicContact CG1-CD1 4.48Å
474	I	88.4	Confident	91.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.2	166.6	-48.9	175.5	0	0	0	107.5	R476 S499 R500 I502 Y530 E551 V553 D554	I474-R476 HydrophobicContact CB-CG 4.07Å; I474-R476 HydrophobicContact CG2-CG 3.52Å; I474-S499 CarbonylContact O-C 3.42Å; I474-S499 WeakPolarHBondContact O-CA 3.32Å; I474-S499 WeakPolarHBondContact O-CB 3.29Å; I474-R500 PolarHBondContact N-O 3.02Å; I474-R500 PolarHBondContact O-N 3.31Å; I474-I502 HydrophobicContact CD1-CD1 3.67Å; I474-I502 HydrophobicContact CD1-CG1 3.67Å; I474-I502 HydrophobicContact CG1-CD1 3.56Å; I474-I502 HydrophobicContact CG1-CG1 3.65Å; I474-Y530 HydrophobicContact CD1-CE2 4.06Å; I474-E551 HydrophobicContact CG1-CB 4.22Å; I474-V553 HydrophobicContact CG2-CG2 3.85Å; I474-D554 WeakPolarHBondContact CG2-OD2 3.47Å
475	H	89.6	Confident	91.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.116	C	C	.	.			trans	-73	-46.1	-178.8	-175	-29.6	0	0	0	112.4	M465 D477 A494 D495 F496 L498 S499 D554	M465-H475 HydrophobicContact CE-CB 3.63Å; M465-H475 HydrophobicContact SD-CB 4.32Å; H475-D477 PolarHBondContact CE1-O 3.14Å; H475-D477 VanDerWaalsContact CE1-O 3.27Å; H475-D477 PolarHBondContact ND1-N 3.21Å; H475-D477 PolarHBondContact O-N 3.1Å; H475-A494 PolarHBondContact NE2-O 2.84Å; H475-A494 VanDerWaalsContact NE2-O 3.13Å; H475-D495 PolarHBondContact CE1-O 3.28Å; H475-F496 HydrophobicContact CB-CD1 4.4Å; H475-F496 AromaticContact CD2-CD1 3.49Å; H475-F496 VanDerWaalsContact CD2-CD1 3.49Å; H475-F496 WeakPolarHBondContact CD2-CD1 3.39Å; H475-F496 AromaticContact CD2-CE1 3.27Å; H475-F496 WeakPolarHBondContact CD2-CE1 3.48Å; H475-F496 AromaticContact CG-CD1 3.77Å; H475-F496 AromaticContact CG-CE1 3.98Å; H475-F496 AromaticContact NE2-CD1 3.71Å; H475-F496 AromaticContact NE2-CE1 3.59Å; H475-L498 CarbonylContact O-C 3.51Å; H475-S499 WeakPolarHBondContact CA-OG 3.48Å; H475-D554 PolarHBondContact N-OD1 2.75Å; H475-D554 PolarHBondContact N-OD2 3.12Å
476	R	85.9	Confident	91.2	Very high	16 Å²	16	24 Å²	24	6%	0.06	13%	0.128	C	C	.	.	S	Bend	trans	64.5	-2.9	179.1	-52.6	-171	-70.5	168.7	-1.1	116.9	I474 L498 T531 V533 Y549 D554	I474-R476 HydrophobicContact CB-CG 4.07Å; I474-R476 HydrophobicContact CG2-CG 3.52Å; R476-L498 PolarHBondContact NE-O 2.78Å; R476-L498 PolarHBondContact NH2-O 3.16Å; R476-T531 PolarHBondContact NH1-OG1 3.03Å; R476-V533 HydrophobicContact CB-CG2 4.14Å; R476-Y549 VanDerWaalsContact CD-OH 3.29Å; R476-Y549 WeakPolarHBondContact CD-OH 3.12Å; R476-Y549 HydrophobicContact CG-CE2 4.41Å; R476-D554 PolarHBondContact N-OD1 3.09Å
477	D	88.1	Confident	90.9	Very high	16 Å²	16	29.8 Å²	29.8	9%	0.086	16%	0.156	C	C	.	.			trans	-145.1	36	179	-162.9	33.4	0	0	0	111.7	H475 N479 N482 L498 G534 N535	H475-D477 PolarHBondContact CE1-O 3.14Å; H475-D477 VanDerWaalsContact CE1-O 3.27Å; H475-D477 PolarHBondContact ND1-N 3.21Å; H475-D477 PolarHBondContact O-N 3.1Å; D477-N479 PolarHBondContact O-N 3.25Å; D477-N479 PolarHBondContact O-ND2 3.19Å; D477-N479 VanDerWaalsContact O-ND2 3.1Å; D477-N479 PolarHBondContact OD1-ND2 2.9Å; D477-N482 PolarHBondContact O-ND2 3.45Å; D477-N482 PolarHBondContact OD2-ND2 2.99Å; D477-L498 HydrophobicContact CB-CB 4.21Å; D477-L498 HydrophobicContact CB-CD1 3.73Å; D477-G534 VanDerWaalsContact OD1-CA 3.27Å; D477-G534 WeakPolarHBondContact OD1-CA 3.23Å; D477-N535 PolarHBondContact OD1-N 3.13Å
478	L	94.2	Very high	90.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.175	C	C	.	.			trans	-69.8	123.7	175.1	-179.9	66.7	0	0	0	109.2	I461 M465 V493 S557 F558 F620	I461-L478 HydrophobicContact CG2-CD1 4.35Å; M465-L478 HydrophobicContact CE-CD2 4.23Å; M465-L478 HydrophobicContact CG-CD1 4.47Å; M465-L478 HydrophobicContact CG-CD2 3.99Å; M465-L478 HydrophobicContact SD-CD1 4.13Å; M465-L478 HydrophobicContact SD-CD2 4.18Å; L478-V493 HydrophobicContact CD1-CG1 3.9Å; L478-S557 WeakPolarHBondContact O-CB 3.27Å; L478-F558 HydrophobicContact CD2-CB 3.78Å; L478-F558 HydrophobicContact CD2-CD2 4.48Å; L478-F620 HydrophobicContact CD2-CZ 4.23Å
479	N	93.1	Very high	90.5	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.027	19%	0.192	C	C	.	.			trans	-159.6	170.7	178.4	60.9	60.4	0	0	0	110	D477 H481 N482 C483 W538	D477-N479 PolarHBondContact O-N 3.25Å; D477-N479 PolarHBondContact O-ND2 3.19Å; D477-N479 VanDerWaalsContact O-ND2 3.1Å; D477-N479 PolarHBondContact OD1-ND2 2.9Å; N479-H481 PolarHBondContact O-N 3.44Å; N479-H481 WeakPolarHBondContact OD1-CA 3.5Å; N479-H481 WeakPolarHBondContact OD1-CB 3.08Å; N479-H481 PolarHBondContact OD1-N 3.08Å; N479-N482 PolarHBondContact ND2-ND2 3.26Å; N479-N482 VanDerWaalsContact ND2-ND2 3.1Å; N479-N482 PolarHBondContact O-N 3.02Å; N479-N482 PolarHBondContact OD1-N 3.45Å; N479-C483 PolarHBondContact O-N 2.91Å; N479-W538 HydrophobicContact CB-CB 4.32Å; N479-W538 HydrophobicContact CB-CD2 3.37Å; N479-W538 HydrophobicContact CB-CE3 3.74Å; N479-W538 HydrophobicContact CB-CG 3.63Å; N479-W538 HydrophobicContact CB-CH2 4.41Å; N479-W538 HydrophobicContact CB-CZ2 4.07Å; N479-W538 HydrophobicContact CB-CZ3 4.26Å
480	S	93.8	Very high	90.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.8	-178.7	58	0	0	0	0	114.8	L439 K440 W538 E564	L439-S480 WeakPolarHBondContact CB-O 3.42Å; L439-S480 PolarHBondContact N-O 2.86Å; K440-S480 PolarHBondContact N-O 2.86Å; S480-W538 WeakPolarHBondContact OG-CZ2 3.24Å; S480-E564 VanDerWaalsContact CB-OE2 3.27Å; S480-E564 WeakPolarHBondContact CB-OE2 3.17Å; S480-E564 VanDerWaalsContact OG-CD 3.3Å; S480-E564 PolarHBondContact OG-OE1 3.47Å; S480-E564 PolarHBondContact OG-OE2 3.47Å; S480-E564 VanDerWaalsContact OG-OE2 3.12Å
481	H	89.6	Confident	90.7	Very high	72 Å²	72	31.7 Å²	31.7	33%	0.333	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-29.4	171.1	-63.7	-89.1	0	0	0	112.7	T438 K440 N479	T438-H481 WeakPolarHBondContact CG2-O 3.15Å; K440-H481 WeakPolarHBondContact CD-CE1 3.43Å; K440-H481 VanDerWaalsContact CD-NE2 3.3Å; K440-H481 WeakPolarHBondContact CD-NE2 3.14Å; K440-H481 PolarHBondContact NZ-CE1 3.06Å; K440-H481 PolarHBondContact NZ-NE2 3.38Å; N479-H481 PolarHBondContact O-N 3.44Å; N479-H481 WeakPolarHBondContact OD1-CA 3.5Å; N479-H481 WeakPolarHBondContact OD1-CB 3.08Å; N479-H481 PolarHBondContact OD1-N 3.08Å
482	N	91.8	Very high	91.1	Very high	17 Å²	17	28.7 Å²	28.7	9%	0.091	15%	0.151	C	C	.	.	S	Bend	trans	-94.3	7.4	-178.5	-69.8	-15.3	0	0	0	112.5	D477 N479 A494 D495	D477-N482 PolarHBondContact O-ND2 3.45Å; D477-N482 PolarHBondContact OD2-ND2 2.99Å; N479-N482 PolarHBondContact ND2-ND2 3.26Å; N479-N482 VanDerWaalsContact ND2-ND2 3.1Å; N479-N482 PolarHBondContact O-N 3.02Å; N479-N482 PolarHBondContact OD1-N 3.45Å; N482-A494 WeakPolarHBondContact O-CA 3.34Å; N482-A494 WeakPolarHBondContact O-CB 3.44Å; N482-A494 PolarHBondContact O-N 2.85Å; N482-D495 HydrophobicContact CB-CB 4.21Å; N482-D495 WeakPolarHBondContact OD1-CB 3.38Å
483	C	95	Very high	91.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124	165.8	-65.4	0	0	0	0	108.4	T438 L439 I461 N479 V491	T438-C483 CarbonylContact C-O 3.59Å; T438-C483 WeakPolarHBondContact CA-O 3.35Å; L439-C483 HydrophobicContact CB-CB 3.74Å; L439-C483 WeakPolarHBondContact CB-O 3.48Å; L439-C483 HydrophobicContact CD2-CB 3.85Å; L439-C483 HydrophobicContact CG-CB 4.47Å; L439-C483 PolarHBondContact N-O 3.29Å; I461-C483 HydrophobicContact CD1-CB 4.48Å; N479-C483 PolarHBondContact O-N 2.91Å; C483-V491 HydrophobicContact CB-CG1 4Å
484	L	94.3	Very high	91.7	Very high	33 Å²	33	26.5 Å²	26.5	17%	0.173	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	143.7	-179.6	-56.6	179.3	0	0	0	110.3	L415 I434 G437 T438 V491 V492 A494	L415-L484 HydrophobicContact CD1-CD1 4.21Å; I434-L484 HydrophobicContact CB-CB 4.01Å; I434-L484 HydrophobicContact CB-CD1 4.03Å; I434-L484 HydrophobicContact CG1-CB 4.14Å; I434-L484 HydrophobicContact CG1-CD1 3.84Å; I434-L484 HydrophobicContact CG2-CB 3.8Å; G437-L484 CarbonylContact O-C 3.53Å; G437-L484 VanDerWaalsContact O-CA 3.28Å; G437-L484 WeakPolarHBondContact O-CA 3.39Å; T438-L484 HydrophobicContact CG2-CD2 4.03Å; L484-V491 CarbonylContact O-C 3.6Å; L484-V491 WeakPolarHBondContact O-CA 3.4Å; L484-V492 PolarHBondContact N-O 3.39Å; L484-V492 PolarHBondContact O-N 3.43Å; L484-A494 HydrophobicContact CD1-CB 3.75Å; L484-A494 HydrophobicContact CG-CB 3.84Å
485	V	93.9	Very high	91	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.4	-178.1	-172.6	0	0	0	0	109.2	I434 G436 G437 L439 F442 F457 V491	I434-V485 WeakPolarHBondContact CG2-O 3.38Å; G436-V485 CarbonylContact C-O 3.58Å; G436-V485 VanDerWaalsContact C-O 3.29Å; G436-V485 WeakPolarHBondContact CA-O 3.2Å; G436-V485 PolarHBondContact N-O 2.92Å; G436-V485 VanDerWaalsContact N-O 3.15Å; G437-V485 PolarHBondContact O-N 3.13Å; L439-V485 HydrophobicContact CB-CG2 4.27Å; L439-V485 HydrophobicContact CD1-CG2 4.33Å; F442-V485 HydrophobicContact CB-CG2 4.2Å; F442-V485 HydrophobicContact CD2-CB 4.32Å; F442-V485 HydrophobicContact CD2-CG1 3.96Å; F442-V485 HydrophobicContact CD2-CG2 4.34Å; F442-V485 HydrophobicContact CE2-CG1 4.09Å; F442-V485 HydrophobicContact CG-CG2 4.31Å; F457-V485 HydrophobicContact CE2-CG2 4.4Å; F457-V485 HydrophobicContact CZ-CG1 3.98Å; V485-V491 HydrophobicContact CG2-CG2 4.47Å
486	K	92.3	Very high	89.9	Confident	55 Å²	55	29.1 Å²	29.1	24%	0.239	15%	0.15	C	C	.	.			trans	-79.5	164	172.9	-74.3	174.6	169.6	168.4	0	110.7	I434 D488 N489 T490 V492	I434-K486 HydrophobicContact CD1-CD 4.45Å; I434-K486 HydrophobicContact CD1-CG 4Å; I434-K486 HydrophobicContact CG2-CG 3.92Å; K486-D488 WeakPolarHBondContact CB-OD1 3.27Å; K486-D488 PolarHBondContact O-N 3.31Å; K486-N489 WeakPolarHBondContact O-CA 3.47Å; K486-N489 PolarHBondContact O-N 2.88Å; K486-T490 WeakPolarHBondContact CB-O 3.49Å; K486-T490 HydrophobicContact CD-CG2 4.25Å; K486-T490 PolarHBondContact N-O 3.42Å; K486-V492 HydrophobicContact CD-CG2 3.98Å; K486-V492 HydrophobicContact CG-CG2 4.29Å
487	L	89.6	Confident	88.6	Confident	128 Å²	128	29.7 Å²	29.7	67%	0.67	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.7	178.4	-63.9	-178.9	0	0	0	113.6	E435 N489	E435-L487 HydrophobicContact CB-CD1 4.49Å; E435-L487 HydrophobicContact CB-CD2 4.16Å; E435-L487 HydrophobicContact CB-CG 4.18Å; E435-L487 WeakPolarHBondContact OE2-CD1 3.44Å; L487-N489 PolarHBondContact O-N 3.22Å
488	D	89.9	Confident	87.2	Confident	104 Å²	104	29.6 Å²	29.6	56%	0.556	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	10.8	175.5	68.2	-12.5	0	0	0	112.9	K486 T490	K486-D488 WeakPolarHBondContact CB-OD1 3.27Å; K486-D488 PolarHBondContact O-N 3.31Å; D488-T490 VanDerWaalsContact CG-OG1 3.22Å; D488-T490 PolarHBondContact O-N 3.11Å; D488-T490 WeakPolarHBondContact OD1-CB 3.4Å; D488-T490 PolarHBondContact OD1-N 2.85Å; D488-T490 PolarHBondContact OD1-OG1 2.87Å; D488-T490 VanDerWaalsContact OD1-OG1 3.04Å; D488-T490 PolarHBondContact OD2-OG1 2.87Å
489	N	88.9	Confident	85.7	Confident	70 Å²	70	30 Å²	30	37%	0.374	16%	0.163	S	C	.	.	S	Bend	trans	65.4	15.9	-175.1	-58.6	-49.4	0	0	0	114.6	Q453 F457 K486 L487	Q453-N489 PolarHBondContact NE2-ND2 3.04Å; Q453-N489 PolarHBondContact NE2-OD1 3.36Å; Q453-N489 VanDerWaalsContact NE2-OD1 3.1Å; F457-N489 HydrophobicContact CE1-CB 4.05Å; F457-N489 WeakPolarHBondContact CE1-O 3.46Å; K486-N489 WeakPolarHBondContact O-CA 3.47Å; K486-N489 PolarHBondContact O-N 2.88Å; L487-N489 PolarHBondContact O-N 3.22Å
490	T	91.3	Very high	84.4	Confident	33 Å²	33	33.9 Å²	33.9	20%	0.202	18%	0.177	C	C	.	.			trans	-74.2	128.1	170.1	-61.6	0	0	0	0	110.1	K486 D488 V492	K486-T490 WeakPolarHBondContact CB-O 3.49Å; K486-T490 HydrophobicContact CD-CG2 4.25Å; K486-T490 PolarHBondContact N-O 3.42Å; D488-T490 VanDerWaalsContact CG-OG1 3.22Å; D488-T490 PolarHBondContact O-N 3.11Å; D488-T490 WeakPolarHBondContact OD1-CB 3.4Å; D488-T490 PolarHBondContact OD1-N 2.85Å; D488-T490 PolarHBondContact OD1-OG1 2.87Å; D488-T490 VanDerWaalsContact OD1-OG1 3.04Å; D488-T490 PolarHBondContact OD2-OG1 2.87Å; T490-V492 HydrophobicContact CG2-CG2 4.48Å
491	V	96.1	Very high	83	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	138.4	174.2	-173.2	0	0	0	0	110.6	H413 F457 I461 C483 L484 V485	H413-V491 PolarHBondContact ND1-O 3.25Å; F457-V491 HydrophobicContact CB-CG2 3.84Å; F457-V491 HydrophobicContact CD1-CG2 3.44Å; F457-V491 VanDerWaalsContact CD1-CG2 3.44Å; F457-V491 HydrophobicContact CD2-CG2 4Å; F457-V491 HydrophobicContact CE1-CG2 3.9Å; F457-V491 HydrophobicContact CE2-CG2 4.38Å; F457-V491 HydrophobicContact CG-CG2 3.49Å; F457-V491 VanDerWaalsContact CG-CG2 3.49Å; F457-V491 HydrophobicContact CZ-CG2 4.34Å; I461-V491 HydrophobicContact CD1-CG1 4.12Å; I461-V491 HydrophobicContact CG1-CB 4.31Å; I461-V491 HydrophobicContact CG1-CG1 3.59Å; C483-V491 HydrophobicContact CB-CG1 4Å; L484-V491 CarbonylContact O-C 3.6Å; L484-V491 WeakPolarHBondContact O-CA 3.4Å; V485-V491 HydrophobicContact CG2-CG2 4.47Å
492	V	95.3	Very high	81.9	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.3	-179.9	-178.2	0	0	0	0	109.3	L415 L484 K486 T490	L415-V492 HydrophobicContact CB-CG1 3.88Å; L415-V492 HydrophobicContact CD1-CG1 4.21Å; L484-V492 PolarHBondContact N-O 3.39Å; L484-V492 PolarHBondContact O-N 3.43Å; K486-V492 HydrophobicContact CD-CG2 3.98Å; K486-V492 HydrophobicContact CG-CG2 4.29Å; T490-V492 HydrophobicContact CG2-CG2 4.48Å
493	V	94.6	Very high	80.2	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	129.5	174.4	-172	0	0	0	0	109.2	H413 L415 I461 M465 L478 F496	H413-V493 PolarHBondContact O-N 2.88Å; L415-V493 WeakPolarHBondContact CB-O 3.47Å; L415-V493 PolarHBondContact N-O 3.46Å; I461-V493 HydrophobicContact CG2-CG2 4.18Å; M465-V493 HydrophobicContact CG-CG2 4.41Å; M465-V493 HydrophobicContact SD-CG1 3.96Å; M465-V493 HydrophobicContact SD-CG2 4.47Å; L478-V493 HydrophobicContact CD1-CG1 3.9Å; V493-F496 HydrophobicContact CB-CE1 4.29Å; V493-F496 HydrophobicContact CB-CZ 3.81Å; V493-F496 HydrophobicContact CG1-CE1 3.51Å; V493-F496 HydrophobicContact CG1-CZ 3.51Å; V493-F496 WeakPolarHBondContact O-CE2 3.5Å; V493-F496 VanDerWaalsContact O-CZ 3.23Å; V493-F496 WeakPolarHBondContact O-CZ 3.12Å
494	A	89	Confident	78.2	Confident	6 Å²	6	41.9 Å²	41.9	5%	0.05	22%	0.221	C	C	.	.			trans	-124.3	175.7	-175.3	0	0	0	0	0	111.4	L415 H475 N482 L484	L415-A494 HydrophobicContact CB-CB 4.17Å; L415-A494 HydrophobicContact CD2-CB 3.78Å; L415-A494 HydrophobicContact CG-CB 4.49Å; H475-A494 PolarHBondContact NE2-O 2.84Å; H475-A494 VanDerWaalsContact NE2-O 3.13Å; N482-A494 WeakPolarHBondContact O-CA 3.34Å; N482-A494 WeakPolarHBondContact O-CB 3.44Å; N482-A494 PolarHBondContact O-N 2.85Å; L484-A494 HydrophobicContact CD1-CB 3.75Å; L484-A494 HydrophobicContact CG-CB 3.84Å
495	D	75.4	Confident	75.8	Confident	40 Å²	40	47.3 Å²	47.3	21%	0.214	25%	0.246	C	C	.	.			trans	55	60.6	173.1	-155	-4.1	0	0	0	116.9	K386 H475 N482 G497	K386-D495 IonicContact NZ-OD1 2.74Å; K386-D495 PolarHBondContact NZ-OD1 3.48Å; K386-D495 IonicContact NZ-OD2 3.34Å; K386-D495 PolarHBondContact NZ-OD2 2.88Å; H475-D495 PolarHBondContact CE1-O 3.28Å; N482-D495 HydrophobicContact CB-CB 4.21Å; N482-D495 WeakPolarHBondContact OD1-CB 3.38Å; D495-G497 PolarHBondContact O-N 3.17Å; D495-G497 VanDerWaalsContact O-N 3.16Å; D495-G497 PolarHBondContact OD1-N 2.94Å
496	F	65.9	Low	73.1	Confident	15 Å²	15	56.4 Å²	56.4	7%	0.066	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-78.9	21.7	168.5	-53	-61.7	0	0	0	113.2	V414 L468 H475 V493 L498 S499	V414-F496 HydrophobicContact CG1-CE2 3.64Å; V414-F496 HydrophobicContact CG1-CZ 3.9Å; L468-F496 HydrophobicContact CD1-CD1 3.95Å; L468-F496 HydrophobicContact CD1-CE1 3.13Å; L468-F496 HydrophobicContact CD1-CZ 3.53Å; L468-F496 HydrophobicContact CD2-CE1 4.25Å; L468-F496 HydrophobicContact CD2-CZ 4.31Å; L468-F496 HydrophobicContact CG-CE1 4.31Å; L468-F496 HydrophobicContact CG-CZ 4.5Å; H475-F496 HydrophobicContact CB-CD1 4.4Å; H475-F496 AromaticContact CD2-CD1 3.49Å; H475-F496 VanDerWaalsContact CD2-CD1 3.49Å; H475-F496 WeakPolarHBondContact CD2-CD1 3.39Å; H475-F496 AromaticContact CD2-CE1 3.27Å; H475-F496 WeakPolarHBondContact CD2-CE1 3.48Å; H475-F496 AromaticContact CG-CD1 3.77Å; H475-F496 AromaticContact CG-CE1 3.98Å; H475-F496 AromaticContact NE2-CD1 3.71Å; H475-F496 AromaticContact NE2-CE1 3.59Å; V493-F496 HydrophobicContact CB-CE1 4.29Å; V493-F496 HydrophobicContact CB-CZ 3.81Å; V493-F496 HydrophobicContact CG1-CE1 3.51Å; V493-F496 HydrophobicContact CG1-CZ 3.51Å; V493-F496 WeakPolarHBondContact O-CE2 3.5Å; V493-F496 VanDerWaalsContact O-CZ 3.23Å; V493-F496 WeakPolarHBondContact O-CZ 3.12Å; F496-L498 PolarHBondContact O-N 3.46Å; F496-S499 WeakPolarHBondContact CA-OG 3.39Å; F496-S499 WeakPolarHBondContact CB-OG 3.37Å; F496-S499 WeakPolarHBondContact CD1-OG 3.41Å; F496-S499 WeakPolarHBondContact O-CB 3.19Å; F496-S499 PolarHBondContact O-N 3.21Å; F496-S499 PolarHBondContact O-OG 3.46Å
497	G	59.5	Low	70.6	Confident	27 Å²	27	59.5 Å²	59.5	28%	0.278	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-67.1	-14.8	-178	0	0	0	0	0	114	D495	D495-G497 PolarHBondContact O-N 3.17Å; D495-G497 VanDerWaalsContact O-N 3.16Å; D495-G497 PolarHBondContact OD1-N 2.94Å
498	L	56.9	Low	67.8	Low	15 Å²	15	62.3 Å²	62.3	8%	0.079	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-105.6	5.8	169	-74.8	-179.7	0	0	0	112.8	F368 H475 R476 D477 F496 V533	F368-L498 HydrophobicContact CD1-CD2 4.42Å; F368-L498 HydrophobicContact CE1-CD1 4.34Å; F368-L498 HydrophobicContact CE1-CD2 3.4Å; F368-L498 HydrophobicContact CE1-CG 3.85Å; F368-L498 HydrophobicContact CE2-CD1 3.62Å; F368-L498 HydrophobicContact CE2-CD2 4.23Å; F368-L498 HydrophobicContact CE2-CG 3.77Å; F368-L498 HydrophobicContact CZ-CD1 3.39Å; F368-L498 HydrophobicContact CZ-CD2 3.31Å; F368-L498 HydrophobicContact CZ-CG 3.36Å; H475-L498 CarbonylContact O-C 3.51Å; R476-L498 PolarHBondContact NE-O 2.78Å; R476-L498 PolarHBondContact NH2-O 3.16Å; D477-L498 HydrophobicContact CB-CB 4.21Å; D477-L498 HydrophobicContact CB-CD1 3.73Å; F496-L498 PolarHBondContact O-N 3.46Å; L498-V533 HydrophobicContact CB-CG2 4.3Å; L498-V533 HydrophobicContact CD1-CB 3.92Å; L498-V533 HydrophobicContact CD1-CG2 4.15Å; L498-V533 HydrophobicContact CD2-CB 3.81Å; L498-V533 HydrophobicContact CD2-CG1 4.1Å; L498-V533 HydrophobicContact CD2-CG2 4.02Å; L498-V533 HydrophobicContact CG-CB 4.39Å; L498-V533 HydrophobicContact CG-CG2 4.41Å
499	S	63.6	Low	65.3	Low	8 Å²	8	62.3 Å²	62.3	6%	0.056	32%	0.321	C	S	.	.			trans	-67.5	153.5	-177.4	-68.2	0	0	0	0	111.6	I474 H475 F496	I474-S499 CarbonylContact O-C 3.42Å; I474-S499 WeakPolarHBondContact O-CA 3.32Å; I474-S499 WeakPolarHBondContact O-CB 3.29Å; H475-S499 WeakPolarHBondContact CA-OG 3.48Å; F496-S499 WeakPolarHBondContact CA-OG 3.39Å; F496-S499 WeakPolarHBondContact CB-OG 3.37Å; F496-S499 WeakPolarHBondContact CD1-OG 3.41Å; F496-S499 WeakPolarHBondContact O-CB 3.19Å; F496-S499 PolarHBondContact O-N 3.21Å; F496-S499 PolarHBondContact O-OG 3.46Å
500	R	65.8	Low	63.2	Low	87 Å²	87	63.7 Å²	63.7	33%	0.328	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.4	177.8	-165.9	167.4	-176	151.6	0.4	110.5	I474 I502 Y530	I474-R500 PolarHBondContact N-O 3.02Å; I474-R500 PolarHBondContact O-N 3.31Å; R500-I502 PolarHBondContact O-N 2.92Å; R500-Y530 VanDerWaalsContact NE-CD1 3.35Å
501	L	64.6	Low	60.8	Low	52 Å²	52	68.3 Å²	68.3	27%	0.272	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	121.2	168.2	-173.7	70.4	0	0	0	109.2	V405 I473 V503	V405-L501 HydrophobicContact CG2-CD1 4.15Å; V405-L501 HydrophobicContact CG2-CD2 4.1Å; I473-L501 HydrophobicContact CG1-CD1 4.48Å; L501-V503 PolarHBondContact O-N 3.48Å; L501-V503 VanDerWaalsContact O-N 3.09Å
502	I	65.3	Low	58.4	Low	23 Å²	23	76.3 Å²	76.3	12%	0.118	40%	0.401	C	S	.	.			trans	-72.6	102.6	168.2	-54.5	174.2	0	0	0	106.7	S472 I474 R500 E504	S472-I502 PolarHBondContact O-N 3.41Å; I474-I502 HydrophobicContact CD1-CD1 3.67Å; I474-I502 HydrophobicContact CD1-CG1 3.67Å; I474-I502 HydrophobicContact CG1-CD1 3.56Å; I474-I502 HydrophobicContact CG1-CG1 3.65Å; R500-I502 PolarHBondContact O-N 2.92Å; I502-E504 PolarHBondContact O-N 3.02Å
503	V	57.8	Low	55.9	Low	81 Å²	81	85.3 Å²	85.3	49%	0.491	44%	0.441	S	S	.	.			trans	-72.9	100.9	165.1	-175.6	0	0	0	0	106.6	L501 E505 K528	L501-V503 PolarHBondContact O-N 3.48Å; L501-V503 VanDerWaalsContact O-N 3.09Å; V503-E505 PolarHBondContact O-N 3.43Å; V503-K528 PolarHBondContact O-NZ 3.42Å
504	E	52.9	Low	53.3	Low	101 Å²	101	91.7 Å²	91.7	47%	0.472	48%	0.482	S	S	.	.			trans	-62.9	93.7	158.9	-71.5	-163.7	156.3	0	0	106.8	I502 K506 R526	I502-E504 PolarHBondContact O-N 3.02Å; E504-K506 VanDerWaalsContact C-N 3.32Å; E504-K506 PolarHBondContact O-N 3.28Å; E504-R526 IonicContact OE1-CZ 3.28Å; E504-R526 IonicContact OE1-NE 3.79Å; E504-R526 PolarHBondContact OE1-NE 2.79Å; E504-R526 IonicContact OE1-NH2 2.77Å; E504-R526 PolarHBondContact OE1-NH2 2.83Å
505	E	42.8	Very low	51	Low	147 Å²	147	96.7 Å²	96.7	69%	0.687	52%	0.517	S	S	*	.			trans	-60.4	106.7	160	-86.3	-178.9	140	0	0	105.5	V503 V507	V503-E505 PolarHBondContact O-N 3.43Å; E505-V507 PolarHBondContact O-N 3.15Å
506	K	37.3	Very low	49.5	Very low	193 Å²	193	101.6 Å²	101.6	84%	0.839	55%	0.548	S	S	*	.			trans	-58.8	89.4	159.9	-70.7	-175.6	179.7	-179.5	0	105.7	E504 K508	E504-K506 VanDerWaalsContact C-N 3.32Å; E504-K506 PolarHBondContact O-N 3.28Å; K506-K508 PolarHBondContact O-N 2.73Å
507	V	40.1	Very low	48.4	Very low	119 Å²	119	110.5 Å²	110.5	72%	0.721	59%	0.587	S	S	*	*			trans	-54.1	107.8	169.3	176.9	0	0	0	0	104.4	E505 P509	E505-V507 PolarHBondContact O-N 3.15Å; V507-P509 WeakPolarHBondContact O-CD 3.47Å; V507-P509 VanDerWaalsContact O-N 3.09Å
508	K	31.8	Very low	47.5	Very low	188 Å²	188	118.9 Å²	118.9	82%	0.817	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-53	121.9	170.2	-76.1	-179.2	177.9	177.6	0	105.1	K506	K506-K508 PolarHBondContact O-N 2.73Å
509	P	36.5	Very low	46.5	Very low	103 Å²	103	129.6 Å²	129.6	67%	0.669	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-54.6	133.7	175.1	21.4	-29.8	0	0	0	107.1	V507	V507-P509 WeakPolarHBondContact O-CD 3.47Å; V507-P509 VanDerWaalsContact O-N 3.09Å
510	P	45.3	Very low	45.3	Very low	99 Å²	99	135.1 Å²	135.1	64%	0.643	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-53.3	147.1	168.5	-16.1	27.6	0	0	0	107.9	E512	P510-E512 PolarHBondContact O-N 3.31Å
511	P	41.5	Very low	43.9	Very low	131 Å²	131	139.2 Å²	139.2	85%	0.851	72%	0.716	S	S	*	*			trans	-57.9	106.4	173.8	23.6	-31.1	0	0	0	108.6	K513	P511-K513 PolarHBondContact O-N 3.47Å
512	E	43.8	Very low	42.5	Very low	167 Å²	167	147.8 Å²	147.8	78%	0.78	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-67.4	123.9	-178.2	-71.3	-172	164	0	0	109.5	P510	P510-E512 PolarHBondContact O-N 3.31Å
513	K	43.7	Very low	41.3	Very low	190 Å²	190	156.7 Å²	156.7	83%	0.826	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-71.8	141.8	153.9	-70.1	-178.4	179.2	179.4	0	108	P511 S515	P511-K513 PolarHBondContact O-N 3.47Å; K513-S515 PolarHBondContact O-N 3.16Å
514	P	41	Very low	40.7	Very low	134 Å²	134	159.3 Å²	159.3	87%	0.87	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-74.7	117.6	-174.5	30.8	-31.5	0	0	0	109.3
515	S	39	Very low	40.4	Very low	110 Å²	110	160.1 Å²	160.1	77%	0.769	79%	0.794	S	S	*	*			trans	-142.4	128.5	159.4	71.5	0	0	0	0	110.7	K513 K517	K513-S515 PolarHBondContact O-N 3.16Å; S515-K517 PolarHBondContact O-N 2.87Å
516	T	45.3	Very low	41.2	Very low	144 Å²	144	158.5 Å²	158.5	88%	0.883	78%	0.782	S	S	*	*			trans	-78.2	92.2	-172.2	29	0	0	0	0	111.4
517	K	41.6	Very low	42.6	Very low	201 Å²	201	151.8 Å²	151.8	87%	0.874	75%	0.753	S	S	*	*			trans	-143.4	137.8	158.1	-66.6	-169.1	-179.2	176.8	0	111.2	S515	S515-K517 PolarHBondContact O-N 2.87Å
518	K	40.4	Very low	43.7	Very low	204 Å²	204	149.5 Å²	149.5	89%	0.887	73%	0.733	S	S	*	*			trans	-35.4	127.4	-174.3	-76.1	173.1	172.9	176	0	114.1	V520	K518-V520 PolarHBondContact O-N 2.88Å
519	R	36.2	Very low	45	Very low	239 Å²	239	150 Å²	150	90%	0.902	73%	0.73	S	S	*	*			trans	-65.5	93.8	169.7	-77.6	-179.8	168.4	172.8	-3.4	110.1
520	V	39.1	Very low	46.2	Very low	124 Å²	124	146.2 Å²	146.2	75%	0.752	70%	0.702	S	S	*	*			trans	-77.3	124	155.3	176.4	0	0	0	0	106.2	K518 R522	K518-V520 PolarHBondContact O-N 2.88Å; V520-R522 PolarHBondContact O-N 3.47Å
521	L	35.2	Very low	47.3	Very low	174 Å²	174	145.3 Å²	145.3	91%	0.911	70%	0.695	S	S	*	*			trans	-54.2	100.1	170.3	-95.7	112.8	0	0	0	108.3	R523	L521-R523 PolarHBondContact O-N 3.1Å
522	R	36.9	Very low	48.8	Very low	231 Å²	231	142.5 Å²	142.5	87%	0.872	68%	0.675	S	S	*	*			trans	-67.6	113.3	168	-77.1	-173.8	173.7	177.2	-1.9	106.9	V520 I524	V520-R522 PolarHBondContact O-N 3.47Å; R522-I524 PolarHBondContact O-N 3.28Å; R522-I524 VanDerWaalsContact O-N 3.17Å
523	R	39.9	Very low	50	Low	210 Å²	210	136.2 Å²	136.2	79%	0.792	65%	0.648	S	S	*	*			trans	-47.9	119.6	166.8	-125.5	176.2	-177	166.4	-1	107.2	L521 D525	L521-R523 PolarHBondContact O-N 3.1Å; R523-D525 PolarHBondContact O-N 3.13Å
524	I	43.7	Very low	51.4	Low	136 Å²	136	128.2 Å²	128.2	70%	0.697	62%	0.62	S	S	*	*			trans	-65	117.7	175.7	-62.2	168.1	0	0	0	106	R522 R526	R522-I524 PolarHBondContact O-N 3.28Å; R522-I524 VanDerWaalsContact O-N 3.17Å; I524-R526 HydrophobicContact CG2-CG 4.35Å; I524-R526 PolarHBondContact O-N 3.09Å
525	D	48.6	Very low	53.3	Low	119 Å²	119	124.1 Å²	124.1	64%	0.636	59%	0.59	S	S	*	*			trans	-70.5	92.4	179.6	-164.2	2.5	0	0	0	108.8	R523 K527	R523-D525 PolarHBondContact O-N 3.13Å; D525-K527 VanDerWaalsContact C-N 3.3Å
526	R	59.1	Low	55.5	Low	113 Å²	113	122.3 Å²	122.3	43%	0.426	58%	0.576	S	S	.	*			trans	-80	-9.5	-178.2	-73	-179.5	169.9	172.6	-3.9	112.8	E504 I524 K528	E504-R526 IonicContact OE1-CZ 3.28Å; E504-R526 IonicContact OE1-NE 3.79Å; E504-R526 PolarHBondContact OE1-NE 2.79Å; E504-R526 IonicContact OE1-NH2 2.77Å; E504-R526 PolarHBondContact OE1-NH2 2.83Å; I524-R526 HydrophobicContact CG2-CG 4.35Å; I524-R526 PolarHBondContact O-N 3.09Å; R526-K528 PolarHBondContact O-N 3.17Å
527	K	66.8	Low	57.6	Low	52 Å²	52	119.7 Å²	119.7	23%	0.226	55%	0.551	C	S	.	*			trans	-72.3	111.5	-176.7	-66	178.1	-174.6	173.9	0	110.4	D525 R548 D550 D615	D525-K527 VanDerWaalsContact C-N 3.3Å; K527-R548 HydrophobicContact CB-CB 4.01Å; K527-D550 VanDerWaalsContact CE-OD2 3.3Å; K527-D550 WeakPolarHBondContact CE-OD2 3.44Å; K527-D550 HydrophobicContact CG-CB 4.18Å; K527-D550 WeakPolarHBondContact CG-OD2 3.43Å; K527-D615 IonicContact NZ-OD1 2.81Å; K527-D615 IonicContact NZ-OD2 2.79Å; K527-D615 PolarHBondContact NZ-OD2 2.65Å
528	K	63	Low	60.2	Low	70 Å²	70	110.5 Å²	110.5	30%	0.304	51%	0.511	S	S	.	.	B	Isolated β-bridge	trans	-112.7	158.1	176.8	-65.5	-171.3	-177.1	-179	0	110.3	V503 R526 Y530 R548 Y549	V503-K528 PolarHBondContact O-NZ 3.42Å; R526-K528 PolarHBondContact O-N 3.17Å; K528-Y530 HydrophobicContact CB-CD1 4.32Å; K528-Y530 HydrophobicContact CB-CD2 4.3Å; K528-Y530 HydrophobicContact CB-CE1 3.85Å; K528-Y530 HydrophobicContact CB-CE2 3.81Å; K528-Y530 HydrophobicContact CD-CE1 4.23Å; K528-Y530 PolarHBondContact O-N 3.48Å; K528-R548 WeakPolarHBondContact O-CA 3.33Å; K528-Y549 PolarHBondContact N-O 3.27Å; K528-Y549 PolarHBondContact O-N 2.93Å
529	R	58.1	Low	62.6	Low	199 Å²	199	101.3 Å²	101.3	75%	0.751	47%	0.471	S	S	*	.			trans	-85.8	101.8	172.6	-159.6	179.9	-144.4	167.7	4.6	108	R548	R529-R548 HydrophobicContact CB-CG 4.18Å
530	Y	62.1	Low	65.4	Low	24 Å²	24	89.9 Å²	89.9	9%	0.094	43%	0.428	C	S	.	.			trans	-104.1	170.2	175.5	-59.7	-58.2	0	0	0	110.7	I474 R500 K528 Y549	I474-Y530 HydrophobicContact CD1-CE2 4.06Å; R500-Y530 VanDerWaalsContact NE-CD1 3.35Å; K528-Y530 HydrophobicContact CB-CD1 4.32Å; K528-Y530 HydrophobicContact CB-CD2 4.3Å; K528-Y530 HydrophobicContact CB-CE1 3.85Å; K528-Y530 HydrophobicContact CB-CE2 3.81Å; K528-Y530 HydrophobicContact CD-CE1 4.23Å; K528-Y530 PolarHBondContact O-N 3.48Å; Y530-Y549 VanDerWaalsContact CB-CZ 3.45Å; Y530-Y549 VanDerWaalsContact CB-OH 3.26Å; Y530-Y549 WeakPolarHBondContact CB-OH 3.3Å; Y530-Y549 HydrophobicContact CD2-CD2 4.21Å; Y530-Y549 HydrophobicContact CD2-CE1 4.34Å; Y530-Y549 AromaticContact CD2-CE2 3.84Å; Y530-Y549 HydrophobicContact CD2-CE2 3.84Å; Y530-Y549 AromaticContact CD2-CZ 3.93Å
531	T	69.3	Low	67.9	Low	79 Å²	79	84.4 Å²	84.4	49%	0.485	40%	0.395	S	S	.	.			trans	-67.8	133.9	177.3	52.8	0	0	0	0	110.6	R476 V533 Y549	R476-T531 PolarHBondContact NH1-OG1 3.03Å; T531-V533 PolarHBondContact O-N 3.26Å; T531-Y549 PolarHBondContact O-OH 2.91Å
532	V	71.3	Confident	70.6	Confident	73 Å²	73	76.8 Å²	76.8	44%	0.442	35%	0.354	S	S	.	.			trans	-70.6	116.6	172.4	-174.3	0	0	0	0	108.5	M539 M543	V532-M539 HydrophobicContact CG1-CE 4.38Å; V532-M539 HydrophobicContact CG1-SD 3.76Å; V532-M543 HydrophobicContact CG1-CG 4.41Å; V532-M543 WeakPolarHBondContact CG1-O 3.32Å; V532-M543 VanDerWaalsContact CG2-O 3.3Å; V532-M543 WeakPolarHBondContact CG2-O 3.21Å
533	V	69.8	Low	73	Confident	34 Å²	34	65.8 Å²	65.8	21%	0.206	31%	0.313	C	S	.	.			trans	-147.8	161.4	-177.4	-64.6	0	0	0	0	109.3	R476 L498 T531 M539 M543	R476-V533 HydrophobicContact CB-CG2 4.14Å; L498-V533 HydrophobicContact CB-CG2 4.3Å; L498-V533 HydrophobicContact CD1-CB 3.92Å; L498-V533 HydrophobicContact CD1-CG2 4.15Å; L498-V533 HydrophobicContact CD2-CB 3.81Å; L498-V533 HydrophobicContact CD2-CG1 4.1Å; L498-V533 HydrophobicContact CD2-CG2 4.02Å; L498-V533 HydrophobicContact CG-CB 4.39Å; L498-V533 HydrophobicContact CG-CG2 4.41Å; T531-V533 PolarHBondContact O-N 3.26Å; V533-M539 WeakPolarHBondContact O-CE 3.41Å; V533-M543 WeakPolarHBondContact O-CE 3.5Å
534	G	72.3	Confident	75.1	Confident	23 Å²	23	58.6 Å²	58.6	24%	0.237	29%	0.29	C	S	.	.	S	Bend	trans	106.7	171.9	177.6	0	0	0	0	0	113.4	D477 M539	D477-G534 VanDerWaalsContact OD1-CA 3.27Å; D477-G534 WeakPolarHBondContact OD1-CA 3.23Å; G534-M539 WeakPolarHBondContact O-CE 3.39Å
535	N	81.5	Confident	77	Confident	47 Å²	47	56.1 Å²	56.1	25%	0.251	28%	0.278	S	S	.	.			trans	-70.9	126.1	178.6	-170.1	-46.2	0	0	0	111.3	D477 Y537 W538 M539	D477-N535 PolarHBondContact OD1-N 3.13Å; N535-Y537 PolarHBondContact O-N 3.35Å; N535-Y537 VanDerWaalsContact O-N 3.16Å; N535-Y537 PolarHBondContact OD1-N 2.87Å; N535-Y537 VanDerWaalsContact OD1-N 3.09Å; N535-W538 HydrophobicContact CB-CE3 3.88Å; N535-W538 HydrophobicContact CB-CZ3 4.26Å; N535-W538 VanDerWaalsContact CG-CE3 3.5Å; N535-W538 VanDerWaalsContact CG-CZ3 3.47Å; N535-W538 WeakPolarHBondContact ND2-CZ3 3.38Å; N535-W538 PolarHBondContact O-N 3.03Å; N535-M539 WeakPolarHBondContact O-CB 3.48Å; N535-M539 PolarHBondContact O-N 2.93Å
536	P	84.8	Confident	78.4	Confident	73 Å²	73	51.6 Å²	51.6	47%	0.474	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.5	-174.9	25.2	-35.9	0	0	0	114.6	M539 L544	P536-M539 PolarHBondContact O-N 3.35Å; P536-L544 HydrophobicContact CB-CD2 4.46Å
537	Y	90.3	Very high	79.6	Confident	89 Å²	89	52.2 Å²	52.2	35%	0.349	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-33.2	-176.5	-52.2	-31.8	0	0	0	112.9	N535 P573 R578	N535-Y537 PolarHBondContact O-N 3.35Å; N535-Y537 VanDerWaalsContact O-N 3.16Å; N535-Y537 PolarHBondContact OD1-N 2.87Å; N535-Y537 VanDerWaalsContact OD1-N 3.09Å; Y537-P573 VanDerWaalsContact CD1-CD 3.4Å; Y537-P573 HydrophobicContact CD1-CG 4Å; Y537-P573 HydrophobicContact CE1-CG 4.37Å; Y537-R578 PolarHBondContact O-NH1 3.34Å
538	W	95.1	Very high	80.3	Confident	8 Å²	8	57.2 Å²	57.2	3%	0.03	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-10.3	176	-66.5	-100	0	0	0	112.7	N479 S480 N535 A540 S557 I560 E564 A571	N479-W538 HydrophobicContact CB-CB 4.32Å; N479-W538 HydrophobicContact CB-CD2 3.37Å; N479-W538 HydrophobicContact CB-CE3 3.74Å; N479-W538 HydrophobicContact CB-CG 3.63Å; N479-W538 HydrophobicContact CB-CH2 4.41Å; N479-W538 HydrophobicContact CB-CZ2 4.07Å; N479-W538 HydrophobicContact CB-CZ3 4.26Å; S480-W538 WeakPolarHBondContact OG-CZ2 3.24Å; N535-W538 HydrophobicContact CB-CE3 3.88Å; N535-W538 HydrophobicContact CB-CZ3 4.26Å; N535-W538 VanDerWaalsContact CG-CE3 3.5Å; N535-W538 VanDerWaalsContact CG-CZ3 3.47Å; N535-W538 WeakPolarHBondContact ND2-CZ3 3.38Å; N535-W538 PolarHBondContact O-N 3.03Å; W538-A540 PolarHBondContact O-N 2.94Å; W538-S557 WeakPolarHBondContact O-CA 3.48Å; W538-S557 PolarHBondContact O-OG 3.43Å; W538-I560 VanDerWaalsContact CD1-CG2 3.44Å; W538-I560 HydrophobicContact CG-CB 4.34Å; W538-I560 HydrophobicContact CG-CG2 4.01Å; W538-E564 WeakPolarHBondContact CZ2-OE1 3.33Å; W538-E564 WeakPolarHBondContact CZ2-OE2 3.46Å; W538-E564 PolarHBondContact NE1-OE2 3.21Å; W538-A571 HydrophobicContact CD2-CB 4Å; W538-A571 VanDerWaalsContact CE2-CB 3.4Å; W538-A571 HydrophobicContact CE3-CB 4.37Å; W538-A571 HydrophobicContact CH2-CB 3.72Å; W538-A571 HydrophobicContact CZ2-CB 3.28Å; W538-A571 HydrophobicContact CZ3-CB 4.24Å
539	M	91.5	Very high	81.4	Confident	10 Å²	10	54 Å²	54	5%	0.049	27%	0.269	C	S	.	.			trans	-63.8	132.9	-172.1	-163	175	-59.1	0	0	112.7	V532 V533 G534 N535 P536 M543 L544	V532-M539 HydrophobicContact CG1-CE 4.38Å; V532-M539 HydrophobicContact CG1-SD 3.76Å; V533-M539 WeakPolarHBondContact O-CE 3.41Å; G534-M539 WeakPolarHBondContact O-CE 3.39Å; N535-M539 WeakPolarHBondContact O-CB 3.48Å; N535-M539 PolarHBondContact O-N 2.93Å; P536-M539 PolarHBondContact O-N 3.35Å; M539-M543 HydrophobicContact CE-CE 4.46Å; M539-M543 HydrophobicContact CG-CB 4.09Å; M539-M543 HydrophobicContact CG-CE 3.39Å; M539-M543 HydrophobicContact CG-CG 4.14Å; M539-M543 HydrophobicContact SD-CB 4.39Å; M539-M543 HydrophobicContact SD-CE 4.05Å; M539-M543 HydrophobicContact SD-CG 4.02Å; M539-L544 HydrophobicContact CB-CD1 4.12Å; M539-L544 HydrophobicContact CB-CD2 4Å; M539-L544 HydrophobicContact CB-CG 3.79Å; M539-L544 HydrophobicContact CE-CD2 4.41Å; M539-L544 HydrophobicContact CG-CD1 4.48Å; M539-L544 HydrophobicContact CG-CD2 4.02Å; M539-L544 HydrophobicContact CG-CG 3.69Å; M539-L544 HydrophobicContact SD-CB 4.4Å; M539-L544 HydrophobicContact SD-CD2 3.43Å; M539-L544 WeakPolarHBondContact SD-CD2 3.45Å; M539-L544 HydrophobicContact SD-CG 3.62Å
540	A	94.3	Very high	83	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.236	C	C	.	.			trans	-63.8	142.9	176	0	0	0	0	0	112.3	W538 E542 M543 L544 V553 F556	W538-A540 PolarHBondContact O-N 2.94Å; A540-E542 VanDerWaalsContact C-N 3.31Å; A540-E542 PolarHBondContact O-N 3.46Å; A540-M543 WeakPolarHBondContact O-CB 3.39Å; A540-M543 PolarHBondContact O-N 3.05Å; A540-L544 PolarHBondContact O-N 3.33Å; A540-V553 HydrophobicContact CB-CB 3.83Å; A540-V553 HydrophobicContact CB-CG1 3.9Å; A540-F556 HydrophobicContact CB-CB 3.82Å; A540-F556 HydrophobicContact CB-CD1 4.08Å; A540-F556 HydrophobicContact CB-CG 3.99Å
541	P	92.8	Very high	84.4	Confident	8 Å²	8	45.8 Å²	45.8	5%	0.052	24%	0.24	C	C	.	.	H	α-helix	trans	-58.7	-37.1	-176.3	-26.3	34.7	0	0	0	114.1	M543 L544 N545 F556 F582 L612	P541-M543 VanDerWaalsContact C-N 3.3Å; P541-M543 PolarHBondContact O-N 3.31Å; P541-L544 PolarHBondContact O-N 2.8Å; P541-N545 VanDerWaalsContact O-CB 3.3Å; P541-N545 WeakPolarHBondContact O-CB 3.4Å; P541-N545 VanDerWaalsContact O-CG 3.26Å; P541-N545 PolarHBondContact O-N 3.39Å; P541-N545 PolarHBondContact O-ND2 3.2Å; P541-F556 HydrophobicContact CG-CE2 3.97Å; P541-F556 HydrophobicContact CG-CZ 4.01Å; P541-F582 HydrophobicContact CB-CB 4.36Å; P541-F582 HydrophobicContact CG-CB 4.23Å; P541-L612 HydrophobicContact CB-CD2 4.45Å; P541-L612 HydrophobicContact CG-CD2 3.82Å
542	E	91.1	Very high	85.7	Confident	14 Å²	14	43.4 Å²	43.4	7%	0.065	22%	0.223	C	C	.	.	H	α-helix	trans	-67.2	-31.2	177.2	67	-83.2	-163.5	0	0	112.9	A540 G546 K547 V553 P614 R617	A540-E542 VanDerWaalsContact C-N 3.31Å; A540-E542 PolarHBondContact O-N 3.46Å; E542-G546 PolarHBondContact O-N 3.12Å; E542-K547 HydrophobicContact CB-CB 4.28Å; E542-K547 HydrophobicContact CB-CD 4.45Å; E542-K547 WeakPolarHBondContact O-CB 3.32Å; E542-K547 PolarHBondContact O-N 3.46Å; E542-V553 HydrophobicContact CG-CG1 4.25Å; E542-V553 WeakPolarHBondContact OE1-CG1 3.35Å; E542-P614 HydrophobicContact CG-CG 4.19Å; E542-P614 WeakPolarHBondContact OE1-CG 3.44Å; E542-R617 IonicContact OE1-CZ 3.19Å; E542-R617 IonicContact OE1-NH1 3.22Å; E542-R617 PolarHBondContact OE1-NH1 3.45Å; E542-R617 IonicContact OE1-NH2 2.68Å; E542-R617 PolarHBondContact OE1-NH2 2.98Å; E542-R617 IonicContact OE2-CZ 2.89Å; E542-R617 IonicContact OE2-NH1 3.74Å; E542-R617 IonicContact OE2-NH2 3.9Å; E542-R617 PolarHBondContact OE2-NH2 2.96Å
543	M	87.4	Confident	86.9	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-75.8	-44.7	175.8	-172.8	158.6	73	0	0	110.6	V532 V533 M539 A540 P541 N545 G546 Y549 V553	V532-M543 HydrophobicContact CG1-CG 4.41Å; V532-M543 WeakPolarHBondContact CG1-O 3.32Å; V532-M543 VanDerWaalsContact CG2-O 3.3Å; V532-M543 WeakPolarHBondContact CG2-O 3.21Å; V533-M543 WeakPolarHBondContact O-CE 3.5Å; M539-M543 HydrophobicContact CE-CE 4.46Å; M539-M543 HydrophobicContact CG-CB 4.09Å; M539-M543 HydrophobicContact CG-CE 3.39Å; M539-M543 HydrophobicContact CG-CG 4.14Å; M539-M543 HydrophobicContact SD-CB 4.39Å; M539-M543 HydrophobicContact SD-CE 4.05Å; M539-M543 HydrophobicContact SD-CG 4.02Å; A540-M543 WeakPolarHBondContact O-CB 3.39Å; A540-M543 PolarHBondContact O-N 3.05Å; P541-M543 VanDerWaalsContact C-N 3.3Å; P541-M543 PolarHBondContact O-N 3.31Å; M543-N545 VanDerWaalsContact C-N 3.27Å; M543-N545 PolarHBondContact O-N 3.35Å; M543-G546 PolarHBondContact O-N 3.4Å; M543-Y549 HydrophobicContact CB-CD1 4.37Å; M543-Y549 HydrophobicContact CG-CD1 4.24Å; M543-Y549 HydrophobicContact CG-CE1 3.91Å; M543-Y549 HydrophobicContact SD-CD2 4.34Å; M543-Y549 HydrophobicContact SD-CE1 4.01Å; M543-Y549 HydrophobicContact SD-CE2 3.74Å; M543-Y549 VanDerWaalsContact SD-CZ 3.52Å; M543-V553 HydrophobicContact CB-CG1 4.25Å; M543-V553 HydrophobicContact SD-CG2 4.43Å
544	L	83.8	Confident	88.2	Confident	58 Å²	58	38.3 Å²	38.3	30%	0.304	19%	0.192	S	C	.	.	H	α-helix	trans	-55.9	-41.4	173.3	-78.3	166.6	0	0	0	112.2	P536 M539 A540 P541 G546 F582	P536-L544 HydrophobicContact CB-CD2 4.46Å; M539-L544 HydrophobicContact CB-CD1 4.12Å; M539-L544 HydrophobicContact CB-CD2 4Å; M539-L544 HydrophobicContact CB-CG 3.79Å; M539-L544 HydrophobicContact CE-CD2 4.41Å; M539-L544 HydrophobicContact CG-CD1 4.48Å; M539-L544 HydrophobicContact CG-CD2 4.02Å; M539-L544 HydrophobicContact CG-CG 3.69Å; M539-L544 HydrophobicContact SD-CB 4.4Å; M539-L544 HydrophobicContact SD-CD2 3.43Å; M539-L544 WeakPolarHBondContact SD-CD2 3.45Å; M539-L544 HydrophobicContact SD-CG 3.62Å; A540-L544 PolarHBondContact O-N 3.33Å; P541-L544 PolarHBondContact O-N 2.8Å; L544-G546 PolarHBondContact O-N 2.86Å; L544-F582 HydrophobicContact CD1-CB 4.19Å; L544-F582 HydrophobicContact CD1-CG 4.21Å
545	N	83.4	Confident	89.4	Confident	85 Å²	85	37.2 Å²	37.2	46%	0.455	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	4.1	179.5	-71.4	-51.5	0	0	0	114	P541 M543 K547	P541-N545 VanDerWaalsContact O-CB 3.3Å; P541-N545 WeakPolarHBondContact O-CB 3.4Å; P541-N545 VanDerWaalsContact O-CG 3.26Å; P541-N545 PolarHBondContact O-N 3.39Å; P541-N545 PolarHBondContact O-ND2 3.2Å; M543-N545 VanDerWaalsContact C-N 3.27Å; M543-N545 PolarHBondContact O-N 3.35Å; N545-K547 HydrophobicContact CB-CD 4.28Å; N545-K547 HydrophobicContact CB-CG 4.05Å; N545-K547 PolarHBondContact O-N 3.02Å
546	G	79.3	Confident	90.2	Very high	24 Å²	24	35 Å²	35	25%	0.247	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	24.3	180	0	0	0	0	0	114.6	E542 M543 L544	E542-G546 PolarHBondContact O-N 3.12Å; M543-G546 PolarHBondContact O-N 3.4Å; L544-G546 PolarHBondContact O-N 2.86Å
547	K	83.9	Confident	90.9	Very high	125 Å²	125	31.7 Å²	31.7	54%	0.543	15%	0.148	S	C	.	.			trans	-77.6	171.6	175.8	-60	179.4	-178	172.5	0	109.9	E542 N545	E542-K547 HydrophobicContact CB-CB 4.28Å; E542-K547 HydrophobicContact CB-CD 4.45Å; E542-K547 WeakPolarHBondContact O-CB 3.32Å; E542-K547 PolarHBondContact O-N 3.46Å; N545-K547 HydrophobicContact CB-CD 4.28Å; N545-K547 HydrophobicContact CB-CG 4.05Å; N545-K547 PolarHBondContact O-N 3.02Å
548	R	81.1	Confident	91.3	Very high	157 Å²	157	27.4 Å²	27.4	59%	0.592	13%	0.131	S	C	*	.			trans	-70.8	139.1	170.4	-63.1	-176.6	177.8	-168.8	0.1	109	K527 K528 R529	K527-R548 HydrophobicContact CB-CB 4.01Å; K528-R548 WeakPolarHBondContact O-CA 3.33Å; R529-R548 HydrophobicContact CB-CG 4.18Å
549	Y	87.1	Confident	91.4	Very high	3 Å²	3	27 Å²	27	1%	0.012	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-143	167.1	-177.6	69.2	-94.6	0	0	0	111.6	R476 K528 Y530 T531 M543 V553	R476-Y549 VanDerWaalsContact CD-OH 3.29Å; R476-Y549 WeakPolarHBondContact CD-OH 3.12Å; R476-Y549 HydrophobicContact CG-CE2 4.41Å; K528-Y549 PolarHBondContact N-O 3.27Å; K528-Y549 PolarHBondContact O-N 2.93Å; Y530-Y549 VanDerWaalsContact CB-CZ 3.45Å; Y530-Y549 VanDerWaalsContact CB-OH 3.26Å; Y530-Y549 WeakPolarHBondContact CB-OH 3.3Å; Y530-Y549 HydrophobicContact CD2-CD2 4.21Å; Y530-Y549 HydrophobicContact CD2-CE1 4.34Å; Y530-Y549 AromaticContact CD2-CE2 3.84Å; Y530-Y549 HydrophobicContact CD2-CE2 3.84Å; Y530-Y549 AromaticContact CD2-CZ 3.93Å; T531-Y549 PolarHBondContact O-OH 2.91Å; M543-Y549 HydrophobicContact CB-CD1 4.37Å; M543-Y549 HydrophobicContact CG-CD1 4.24Å; M543-Y549 HydrophobicContact CG-CE1 3.91Å; M543-Y549 HydrophobicContact SD-CD2 4.34Å; M543-Y549 HydrophobicContact SD-CE1 4.01Å; M543-Y549 HydrophobicContact SD-CE2 3.74Å; M543-Y549 VanDerWaalsContact SD-CZ 3.52Å; Y549-V553 HydrophobicContact CD2-CB 4.39Å; Y549-V553 HydrophobicContact CD2-CG1 3.52Å; Y549-V553 HydrophobicContact CD2-CG2 3.95Å; Y549-V553 HydrophobicContact CE2-CG1 4.36Å; Y549-V553 HydrophobicContact CE2-CG2 4.16Å; Y549-V553 HydrophobicContact CG-CG1 3.81Å
550	D	90.1	Very high	91.7	Very high	12 Å²	12	26.6 Å²	26.6	6%	0.064	13%	0.127	C	C	.	.			trans	-136.3	-164.2	-177.1	57.6	19.4	0	0	0	109.6	K527 K552 V553	K527-D550 VanDerWaalsContact CE-OD2 3.3Å; K527-D550 WeakPolarHBondContact CE-OD2 3.44Å; K527-D550 HydrophobicContact CG-CB 4.18Å; K527-D550 WeakPolarHBondContact CG-OD2 3.43Å; D550-K552 PolarHBondContact O-N 2.64Å; D550-K552 VanDerWaalsContact O-N 3.07Å; D550-K552 WeakPolarHBondContact OD1-CB 3.5Å; D550-K552 WeakPolarHBondContact OD1-CG 3.29Å; D550-K552 PolarHBondContact OD1-N 3.16Å; D550-V553 WeakPolarHBondContact O-CG2 3.44Å; D550-V553 PolarHBondContact O-N 2.86Å
551	E	93	Very high	91.9	Very high	39 Å²	39	26.6 Å²	26.6	18%	0.182	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-15	-178.9	73	-82.9	-173.7	0	0	114.1	H469 I474 V553 D554	H469-E551 PolarHBondContact CE1-O 3.48Å; H469-E551 VanDerWaalsContact CE1-O 3.22Å; I474-E551 HydrophobicContact CG1-CB 4.22Å; E551-V553 PolarHBondContact O-N 3.44Å; E551-D554 WeakPolarHBondContact O-CB 3.45Å; E551-D554 PolarHBondContact O-N 2.9Å
552	K	96.6	Very high	92.2	Very high	28 Å²	28	26.2 Å²	26.2	12%	0.122	13%	0.125	C	C	.	.	H	α-helix	trans	-67.8	-14.5	-178.8	-57.9	-56.3	-158.8	85.9	0	114	D550 D554 I555 F556 P614 R617	D550-K552 PolarHBondContact O-N 2.64Å; D550-K552 VanDerWaalsContact O-N 3.07Å; D550-K552 WeakPolarHBondContact OD1-CB 3.5Å; D550-K552 WeakPolarHBondContact OD1-CG 3.29Å; D550-K552 PolarHBondContact OD1-N 3.16Å; K552-D554 PolarHBondContact O-N 3.4Å; K552-I555 HydrophobicContact CD-CD1 3.43Å; K552-I555 VanDerWaalsContact CD-CD1 3.43Å; K552-I555 PolarHBondContact O-N 3.45Å; K552-F556 PolarHBondContact O-N 3.39Å; K552-P614 HydrophobicContact CB-CB 3.75Å; K552-P614 HydrophobicContact CG-CB 4.24Å; K552-P614 WeakPolarHBondContact CG-O 3.25Å; K552-P614 PolarHBondContact NZ-O 2.87Å; K552-R617 PolarHBondContact NZ-O 3Å; K552-R617 PolarHBondContact O-NH1 2.92Å
553	V	95.8	Very high	92.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.9	-32.6	173.3	-59.8	0	0	0	0	112.2	I474 A540 E542 M543 Y549 D550 E551 I555 F556 S557	I474-V553 HydrophobicContact CG2-CG2 3.85Å; A540-V553 HydrophobicContact CB-CB 3.83Å; A540-V553 HydrophobicContact CB-CG1 3.9Å; E542-V553 HydrophobicContact CG-CG1 4.25Å; E542-V553 WeakPolarHBondContact OE1-CG1 3.35Å; M543-V553 HydrophobicContact CB-CG1 4.25Å; M543-V553 HydrophobicContact SD-CG2 4.43Å; Y549-V553 HydrophobicContact CD2-CB 4.39Å; Y549-V553 HydrophobicContact CD2-CG1 3.52Å; Y549-V553 HydrophobicContact CD2-CG2 3.95Å; Y549-V553 HydrophobicContact CE2-CG1 4.36Å; Y549-V553 HydrophobicContact CE2-CG2 4.16Å; Y549-V553 HydrophobicContact CG-CG1 3.81Å; D550-V553 WeakPolarHBondContact O-CG2 3.44Å; D550-V553 PolarHBondContact O-N 2.86Å; E551-V553 PolarHBondContact O-N 3.44Å; V553-I555 VanDerWaalsContact C-N 3.32Å; V553-F556 PolarHBondContact O-N 3.07Å; V553-S557 PolarHBondContact O-N 3.17Å; V553-S557 VanDerWaalsContact O-N 3.15Å; V553-S557 PolarHBondContact O-OG 3.08Å
554	D	97.1	Very high	92.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-70.3	-32.7	178.3	-69.4	-20.7	0	0	0	111	M465 H469 I474 H475 R476 E551 K552 S557 F558 F620	M465-D554 HydrophobicContact CE-CB 3.66Å; M465-D554 WeakPolarHBondContact CE-OD2 3.5Å; H469-D554 IonicContact CD2-OD2 3.42Å; H469-D554 IonicContact CE1-OD2 3.79Å; H469-D554 IonicContact NE2-OD2 3.32Å; H469-D554 PolarHBondContact NE2-OD2 3.17Å; I474-D554 WeakPolarHBondContact CG2-OD2 3.47Å; H475-D554 PolarHBondContact N-OD1 2.75Å; H475-D554 PolarHBondContact N-OD2 3.12Å; R476-D554 PolarHBondContact N-OD1 3.09Å; E551-D554 WeakPolarHBondContact O-CB 3.45Å; E551-D554 PolarHBondContact O-N 2.9Å; K552-D554 PolarHBondContact O-N 3.4Å; D554-S557 WeakPolarHBondContact O-CB 3.42Å; D554-S557 PolarHBondContact O-N 3.25Å; D554-F558 WeakPolarHBondContact O-CB 3.44Å; D554-F558 PolarHBondContact O-N 2.85Å; D554-F620 HydrophobicContact CB-CE2 3.78Å; D554-F620 HydrophobicContact CB-CZ 4.19Å
555	I	98.4	Very high	93.4	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-69.1	-38.6	178	-64.2	157.1	0	0	0	110.8	K552 V553 S557 F558 G559 C609 R617 P618 F620 L623	K552-I555 HydrophobicContact CD-CD1 3.43Å; K552-I555 VanDerWaalsContact CD-CD1 3.43Å; K552-I555 PolarHBondContact O-N 3.45Å; V553-I555 VanDerWaalsContact C-N 3.32Å; I555-S557 VanDerWaalsContact C-N 3.34Å; I555-F558 WeakPolarHBondContact O-CB 3.3Å; I555-F558 PolarHBondContact O-N 3.18Å; I555-G559 PolarHBondContact O-N 3.38Å; I555-C609 HydrophobicContact CG2-CB 4.04Å; I555-C609 WeakPolarHBondContact O-CB 3.37Å; I555-R617 HydrophobicContact CB-CB 4.37Å; I555-R617 HydrophobicContact CG2-CB 3.8Å; I555-P618 WeakPolarHBondContact CD1-O 3.45Å; I555-F620 HydrophobicContact CB-CE2 4.5Å; I555-F620 HydrophobicContact CD1-CD2 4.46Å; I555-F620 HydrophobicContact CG1-CD2 3.79Å; I555-F620 HydrophobicContact CG1-CE1 4.46Å; I555-F620 HydrophobicContact CG1-CE2 3.52Å; I555-F620 HydrophobicContact CG1-CG 4.36Å; I555-F620 HydrophobicContact CG1-CZ 3.9Å; I555-L623 HydrophobicContact CG2-CD1 4.18Å
556	F	98.4	Very high	94	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.7	-45.9	172	-175.2	-83.7	0	0	0	111.1	A540 P541 K552 V553 F558 G559 I560 C609 C610	A540-F556 HydrophobicContact CB-CB 3.82Å; A540-F556 HydrophobicContact CB-CD1 4.08Å; A540-F556 HydrophobicContact CB-CG 3.99Å; P541-F556 HydrophobicContact CG-CE2 3.97Å; P541-F556 HydrophobicContact CG-CZ 4.01Å; K552-F556 PolarHBondContact O-N 3.39Å; V553-F556 PolarHBondContact O-N 3.07Å; F556-F558 VanDerWaalsContact C-N 3.27Å; F556-F558 PolarHBondContact O-N 3.27Å; F556-G559 WeakPolarHBondContact O-CA 3.46Å; F556-G559 PolarHBondContact O-N 2.61Å; F556-I560 HydrophobicContact CD1-CG1 4.23Å; F556-I560 HydrophobicContact CE1-CD1 4.08Å; F556-I560 HydrophobicContact CE1-CG1 3.87Å; F556-I560 HydrophobicContact CZ-CD1 4.31Å; F556-I560 PolarHBondContact O-N 2.97Å; F556-I560 VanDerWaalsContact O-N 3.13Å; F556-C609 WeakPolarHBondContact CA-O 3.32Å; F556-C610 HydrophobicContact CE2-CB 4.32Å; F556-C610 WeakPolarHBondContact CE2-O 3.5Å
557	S	97.9	Very high	94.7	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-58.6	-41.9	177.8	-50.4	0	0	0	0	111.2	L478 W538 V553 D554 I555 I560 V561	L478-S557 WeakPolarHBondContact O-CB 3.27Å; W538-S557 WeakPolarHBondContact O-CA 3.48Å; W538-S557 PolarHBondContact O-OG 3.43Å; V553-S557 PolarHBondContact O-N 3.17Å; V553-S557 VanDerWaalsContact O-N 3.15Å; V553-S557 PolarHBondContact O-OG 3.08Å; D554-S557 WeakPolarHBondContact O-CB 3.42Å; D554-S557 PolarHBondContact O-N 3.25Å; I555-S557 VanDerWaalsContact C-N 3.34Å; S557-I560 PolarHBondContact O-N 3.38Å; S557-V561 PolarHBondContact O-N 3.02Å; S557-V561 VanDerWaalsContact O-N 3.12Å
558	F	98.6	Very high	95.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63	-39.4	173.2	179	-115.5	0	0	0	113	A458 I461 A462 L478 D554 I555 F556 I560 V561 L562 F620 L623 F627	A458-F558 HydrophobicContact CB-CZ 4.32Å; I461-F558 HydrophobicContact CB-CD2 4.34Å; I461-F558 HydrophobicContact CB-CE2 3.82Å; I461-F558 HydrophobicContact CG2-CD2 3.6Å; I461-F558 HydrophobicContact CG2-CE2 3.6Å; A462-F558 HydrophobicContact CB-CZ 4.17Å; L478-F558 HydrophobicContact CD2-CB 3.78Å; L478-F558 HydrophobicContact CD2-CD2 4.48Å; D554-F558 WeakPolarHBondContact O-CB 3.44Å; D554-F558 PolarHBondContact O-N 2.85Å; I555-F558 WeakPolarHBondContact O-CB 3.3Å; I555-F558 PolarHBondContact O-N 3.18Å; F556-F558 VanDerWaalsContact C-N 3.27Å; F556-F558 PolarHBondContact O-N 3.27Å; F558-I560 VanDerWaalsContact C-N 3.27Å; F558-I560 PolarHBondContact O-N 3.48Å; F558-V561 WeakPolarHBondContact O-CB 3.48Å; F558-V561 PolarHBondContact O-N 3.44Å; F558-V561 VanDerWaalsContact O-N 3.09Å; F558-L562 HydrophobicContact CD1-CD1 3.97Å; F558-L562 HydrophobicContact CD1-CG 4.29Å; F558-L562 HydrophobicContact CE1-CD1 3.59Å; F558-L562 HydrophobicContact CE1-CD2 4.14Å; F558-L562 HydrophobicContact CE1-CG 3.94Å; F558-L562 HydrophobicContact CE2-CD2 4.11Å; F558-L562 HydrophobicContact CE2-CG 4.24Å; F558-L562 HydrophobicContact CZ-CD1 4.05Å; F558-L562 HydrophobicContact CZ-CD2 3.7Å; F558-L562 HydrophobicContact CZ-CG 3.92Å; F558-L562 WeakPolarHBondContact O-CG 3.5Å; F558-L562 PolarHBondContact O-N 2.92Å; F558-F620 HydrophobicContact CB-CE1 3.73Å; F558-F620 HydrophobicContact CB-CZ 3.82Å; F558-F620 HydrophobicContact CD1-CD1 4.49Å; F558-F620 AromaticContact CD1-CE1 3.76Å; F558-F620 HydrophobicContact CD1-CE1 3.76Å; F558-F620 HydrophobicContact CD2-CE1 4.25Å; F558-F620 HydrophobicContact CE1-CE1 4.41Å; F558-F620 AromaticContact CG-CE1 3.65Å; F558-F620 HydrophobicContact CG-CE1 3.65Å; F558-F620 HydrophobicContact CG-CZ 4.26Å; F558-L623 HydrophobicContact CD1-CD1 3.97Å; F558-L623 HydrophobicContact CE1-CD1 4.01Å; F558-F627 AromaticContact CE1-CE2 3.55Å; F558-F627 HydrophobicContact CE1-CE2 3.55Å; F558-F627 AromaticContact CE1-CZ 3.87Å; F558-F627 HydrophobicContact CE1-CZ 3.87Å; F558-F627 HydrophobicContact CZ-CD2 4.48Å; F558-F627 AromaticContact CZ-CE2 3.51Å; F558-F627 HydrophobicContact CZ-CE2 3.51Å; F558-F627 AromaticContact CZ-CZ 3.92Å; F558-F627 HydrophobicContact CZ-CZ 3.92Å
559	G	98.3	Very high	95.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-57.6	-38.5	173.5	0	0	0	0	0	113.2	I555 F556 L562 C563 C609	I555-G559 PolarHBondContact O-N 3.38Å; F556-G559 WeakPolarHBondContact O-CA 3.46Å; F556-G559 PolarHBondContact O-N 2.61Å; G559-L562 PolarHBondContact O-N 3.42Å; G559-C563 PolarHBondContact O-N 2.89Å; G559-C563 VanDerWaalsContact O-N 3.12Å; G559-C563 PolarHBondContact O-SG 2.92Å; G559-C609 VanDerWaalsContact CA-CB 3.49Å
560	I	98.2	Very high	95.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-67.4	-42.8	173.3	-57.9	-58.8	0	0	0	111	W538 F556 S557 F558 L562 C563 E564 A571 L576	W538-I560 VanDerWaalsContact CD1-CG2 3.44Å; W538-I560 HydrophobicContact CG-CB 4.34Å; W538-I560 HydrophobicContact CG-CG2 4.01Å; F556-I560 HydrophobicContact CD1-CG1 4.23Å; F556-I560 HydrophobicContact CE1-CD1 4.08Å; F556-I560 HydrophobicContact CE1-CG1 3.87Å; F556-I560 HydrophobicContact CZ-CD1 4.31Å; F556-I560 PolarHBondContact O-N 2.97Å; F556-I560 VanDerWaalsContact O-N 3.13Å; S557-I560 PolarHBondContact O-N 3.38Å; F558-I560 VanDerWaalsContact C-N 3.27Å; F558-I560 PolarHBondContact O-N 3.48Å; I560-L562 VanDerWaalsContact C-N 3.3Å; I560-L562 PolarHBondContact O-N 2.93Å; I560-C563 WeakPolarHBondContact O-CB 3.43Å; I560-C563 PolarHBondContact O-N 3.17Å; I560-E564 PolarHBondContact O-N 3.4Å; I560-E564 VanDerWaalsContact O-N 3.08Å; I560-A571 HydrophobicContact CG2-CB 3.75Å; I560-L576 HydrophobicContact CD1-CD2 4.13Å; I560-L576 HydrophobicContact CG2-CD2 3.85Å
561	V	97.9	Very high	95.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-59.8	-39.4	174.2	175.6	0	0	0	0	111.6	L439 I461 S557 F558 C563 E564 I565	L439-V561 HydrophobicContact CD2-CG1 3.87Å; I461-V561 HydrophobicContact CD1-CG1 4.18Å; S557-V561 PolarHBondContact O-N 3.02Å; S557-V561 VanDerWaalsContact O-N 3.12Å; F558-V561 WeakPolarHBondContact O-CB 3.48Å; F558-V561 PolarHBondContact O-N 3.44Å; F558-V561 VanDerWaalsContact O-N 3.09Å; V561-C563 VanDerWaalsContact C-N 3.31Å; V561-C563 PolarHBondContact O-N 3.37Å; V561-E564 WeakPolarHBondContact O-CB 3.34Å; V561-E564 PolarHBondContact O-N 3.38Å; V561-I565 HydrophobicContact CG1-CD1 4.05Å; V561-I565 WeakPolarHBondContact O-CG1 3.36Å; V561-I565 PolarHBondContact O-N 2.98Å
562	L	98.1	Very high	95.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.8	-38.9	173.9	-68.4	174.1	0	0	0	111.9	A458 F558 G559 I560 E564 I565 I566 F602 A606 F627	A458-L562 HydrophobicContact CB-CD2 3.52Å; F558-L562 HydrophobicContact CD1-CD1 3.97Å; F558-L562 HydrophobicContact CD1-CG 4.29Å; F558-L562 HydrophobicContact CE1-CD1 3.59Å; F558-L562 HydrophobicContact CE1-CD2 4.14Å; F558-L562 HydrophobicContact CE1-CG 3.94Å; F558-L562 HydrophobicContact CE2-CD2 4.11Å; F558-L562 HydrophobicContact CE2-CG 4.24Å; F558-L562 HydrophobicContact CZ-CD1 4.05Å; F558-L562 HydrophobicContact CZ-CD2 3.7Å; F558-L562 HydrophobicContact CZ-CG 3.92Å; F558-L562 WeakPolarHBondContact O-CG 3.5Å; F558-L562 PolarHBondContact O-N 2.92Å; G559-L562 PolarHBondContact O-N 3.42Å; I560-L562 VanDerWaalsContact C-N 3.3Å; I560-L562 PolarHBondContact O-N 2.93Å; L562-E564 VanDerWaalsContact C-N 3.32Å; L562-E564 PolarHBondContact O-N 3.29Å; L562-I565 PolarHBondContact O-N 3.33Å; L562-I566 WeakPolarHBondContact O-CB 3.34Å; L562-I566 VanDerWaalsContact O-CG1 3.23Å; L562-I566 WeakPolarHBondContact O-CG1 3.44Å; L562-I566 PolarHBondContact O-N 3.09Å; L562-F602 HydrophobicContact CD2-CE2 4.1Å; L562-F602 HydrophobicContact CD2-CZ 4.43Å; L562-A606 HydrophobicContact CB-CB 3.68Å; L562-A606 HydrophobicContact CD1-CB 4.04Å; L562-F627 HydrophobicContact CD1-CZ 3.93Å; L562-F627 HydrophobicContact CD2-CE1 4.37Å; L562-F627 HydrophobicContact CD2-CZ 3.93Å
563	C	97.4	Very high	94.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.6	-39.5	174.9	-63.8	0	0	0	0	111.7	G559 I560 V561 G567 L576 F589	G559-C563 PolarHBondContact O-N 2.89Å; G559-C563 VanDerWaalsContact O-N 3.12Å; G559-C563 PolarHBondContact O-SG 2.92Å; I560-C563 WeakPolarHBondContact O-CB 3.43Å; I560-C563 PolarHBondContact O-N 3.17Å; V561-C563 VanDerWaalsContact C-N 3.31Å; V561-C563 PolarHBondContact O-N 3.37Å; C563-G567 PolarHBondContact O-N 3.4Å; C563-L576 HydrophobicContact CB-CD1 3.83Å; C563-L576 HydrophobicContact CB-CD2 4.32Å; C563-F589 HydrophobicContact CB-CE2 3.77Å; C563-F589 HydrophobicContact CB-CZ 4.11Å
564	E	95.9	Very high	94	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.019	12%	0.122	C	C	.	.	H	α-helix	trans	-62.8	-43.8	173.8	-59.6	180	91.9	0	0	111.4	I443 S480 W538 I560 V561 L562 K568 V569 A571	I443-E564 HydrophobicContact CD1-CB 4.05Å; S480-E564 VanDerWaalsContact CB-OE2 3.27Å; S480-E564 WeakPolarHBondContact CB-OE2 3.17Å; S480-E564 VanDerWaalsContact OG-CD 3.3Å; S480-E564 PolarHBondContact OG-OE1 3.47Å; S480-E564 PolarHBondContact OG-OE2 3.47Å; S480-E564 VanDerWaalsContact OG-OE2 3.12Å; W538-E564 WeakPolarHBondContact CZ2-OE1 3.33Å; W538-E564 WeakPolarHBondContact CZ2-OE2 3.46Å; W538-E564 PolarHBondContact NE1-OE2 3.21Å; I560-E564 PolarHBondContact O-N 3.4Å; I560-E564 VanDerWaalsContact O-N 3.08Å; V561-E564 WeakPolarHBondContact O-CB 3.34Å; V561-E564 PolarHBondContact O-N 3.38Å; L562-E564 VanDerWaalsContact C-N 3.32Å; L562-E564 PolarHBondContact O-N 3.29Å; E564-K568 WeakPolarHBondContact O-CA 3.41Å; E564-K568 PolarHBondContact O-N 3.02Å; E564-V569 WeakPolarHBondContact CA-O 2.98Å; E564-V569 WeakPolarHBondContact CB-O 3.46Å; E564-V569 WeakPolarHBondContact CG-O 3.41Å; E564-A571 HydrophobicContact CG-CB 4.2Å
565	I	95.8	Very high	93.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65	-44.1	178.8	-68	168.2	0	0	0	111.5	L439 I443 F449 R454 I461 V561 L562 F602	L439-I565 HydrophobicContact CD2-CD1 4.27Å; L439-I565 HydrophobicContact CD2-CG1 4.48Å; I443-I565 HydrophobicContact CD1-CG1 3.97Å; F449-I565 HydrophobicContact CE1-CG2 4.18Å; F449-I565 HydrophobicContact CZ-CG2 4.19Å; R454-I565 HydrophobicContact CB-CG2 3.57Å; R454-I565 WeakPolarHBondContact CD-O 3.1Å; R454-I565 HydrophobicContact CG-CG2 3.77Å; R454-I565 PolarHBondContact NH1-O 2.93Å; I461-I565 HydrophobicContact CD1-CD1 4.49Å; V561-I565 HydrophobicContact CG1-CD1 4.05Å; V561-I565 WeakPolarHBondContact O-CG1 3.36Å; V561-I565 PolarHBondContact O-N 2.98Å; L562-I565 PolarHBondContact O-N 3.33Å; I565-F602 HydrophobicContact CG2-CE1 4.46Å; I565-F602 HydrophobicContact CG2-CZ 4.27Å
566	I	95.4	Very high	93.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-71.3	-53.7	-177.3	-68.6	166.7	0	0	0	110.3	W451 R454 L562 F589 L594 F602 F603 A606	W451-I566 HydrophobicContact CH2-CG2 4.34Å; W451-I566 HydrophobicContact CZ3-CG1 4.48Å; W451-I566 HydrophobicContact CZ3-CG2 4.48Å; R454-I566 PolarHBondContact NH1-O 3.04Å; L562-I566 WeakPolarHBondContact O-CB 3.34Å; L562-I566 VanDerWaalsContact O-CG1 3.23Å; L562-I566 WeakPolarHBondContact O-CG1 3.44Å; L562-I566 PolarHBondContact O-N 3.09Å; I566-F589 HydrophobicContact CG2-CE1 4.16Å; I566-F589 HydrophobicContact CG2-CZ 4.37Å; I566-L594 HydrophobicContact CG2-CD1 3.69Å; I566-F602 HydrophobicContact CD1-CD1 4.04Å; I566-F602 HydrophobicContact CD1-CE1 4.2Å; I566-F602 HydrophobicContact CD1-CG 4.31Å; I566-F602 HydrophobicContact CG1-CD1 3.72Å; I566-F602 HydrophobicContact CG1-CE1 3.56Å; I566-F602 HydrophobicContact CG1-CG 4.47Å; I566-F602 HydrophobicContact CG1-CZ 4.19Å; I566-F603 HydrophobicContact CD1-CB 4.19Å; I566-F603 HydrophobicContact CD1-CD2 4.17Å; I566-A606 HydrophobicContact CD1-CB 4.07Å
567	G	93	Very high	92.9	Very high	14 Å²	14	27.8 Å²	27.8	14%	0.144	14%	0.144	C	C	.	.	H	α-helix	trans	-89.8	-3	-171.6	0	0	0	0	0	114.9	C563 V569 F593	C563-G567 PolarHBondContact O-N 3.4Å; G567-V569 PolarHBondContact O-N 3.46Å; G567-V569 VanDerWaalsContact O-N 3.16Å; G567-F593 WeakPolarHBondContact CA-O 3.42Å
568	K	92.1	Very high	92.6	Very high	84 Å²	84	29.8 Å²	29.8	37%	0.365	15%	0.151	S	C	.	.			trans	46.1	42.7	-170.9	-66.5	-174.1	166	-165.9	0	111.7	I443 M446 F449 E564	I443-K568 HydrophobicContact CG2-CB 4.23Å; I443-K568 HydrophobicContact CG2-CG 4.28Å; M446-K568 PolarHBondContact O-NZ 2.83Å; F449-K568 VanDerWaalsContact CB-CE 3.46Å; F449-K568 HydrophobicContact CD1-CG 4.5Å; E564-K568 WeakPolarHBondContact O-CA 3.41Å; E564-K568 PolarHBondContact O-N 3.02Å
569	V	91.1	Very high	92.3	Very high	14 Å²	14	32 Å²	32	9%	0.085	16%	0.164	C	C	.	.			trans	-117.1	147.1	-172.3	63.4	0	0	0	0	110.1	E564 G567 C575 L576 F589 F593	E564-V569 WeakPolarHBondContact CA-O 2.98Å; E564-V569 WeakPolarHBondContact CB-O 3.46Å; E564-V569 WeakPolarHBondContact CG-O 3.41Å; G567-V569 PolarHBondContact O-N 3.46Å; G567-V569 VanDerWaalsContact O-N 3.16Å; V569-C575 HydrophobicContact CG2-CB 3.98Å; V569-L576 HydrophobicContact CG1-CD1 3.8Å; V569-F589 HydrophobicContact CG1-CE2 4.09Å; V569-F593 HydrophobicContact CB-CD1 3.84Å; V569-F593 HydrophobicContact CB-CE1 3.94Å; V569-F593 HydrophobicContact CG1-CD1 4.4Å; V569-F593 HydrophobicContact CG2-CD1 3.87Å; V569-F593 HydrophobicContact CG2-CE1 3.46Å; V569-F593 VanDerWaalsContact CG2-CE1 3.46Å; V569-F593 HydrophobicContact CG2-CZ 3.83Å
570	Y	89.2	Confident	91.9	Very high	98 Å²	98	40.6 Å²	40.6	38%	0.384	21%	0.21	S	C	.	.			trans	-72.1	141.5	172.2	-67.5	-66.2	0	0	0	111.3	K440 R444 D572 C575 L576	K440-Y570 HydrophobicContact CD-CE1 4.47Å; K440-Y570 HydrophobicContact CG-CE1 4.33Å; R444-Y570 WeakPolarHBondContact CD-OH 3.32Å; Y570-D572 PolarHBondContact O-N 2.79Å; Y570-D572 VanDerWaalsContact O-N 3.1Å; Y570-C575 WeakPolarHBondContact O-CB 3.5Å; Y570-L576 WeakPolarHBondContact O-CB 3.45Å; Y570-L576 PolarHBondContact O-N 3.46Å
571	A	90.8	Very high	91.5	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.008	23%	0.23	C	C	.	.	S	Bend	trans	-65.6	-9.8	177.5	0	0	0	0	0	115.1	W538 I560 E564	W538-A571 HydrophobicContact CD2-CB 4Å; W538-A571 VanDerWaalsContact CE2-CB 3.4Å; W538-A571 HydrophobicContact CE3-CB 4.37Å; W538-A571 HydrophobicContact CH2-CB 3.72Å; W538-A571 HydrophobicContact CZ2-CB 3.28Å; W538-A571 HydrophobicContact CZ3-CB 4.24Å; I560-A571 HydrophobicContact CG2-CB 3.75Å; E564-A571 HydrophobicContact CG-CB 4.2Å
572	D	87.4	Confident	91.1	Very high	50 Å²	50	48.9 Å²	48.9	27%	0.267	25%	0.25	S	C	.	.	S	Bend	trans	-49.9	127.2	174.6	-168.9	-43.2	0	0	0	109.9	Y570 E574 C575 L576	Y570-D572 PolarHBondContact O-N 2.79Å; Y570-D572 VanDerWaalsContact O-N 3.1Å; D572-E574 PolarHBondContact O-N 3Å; D572-E574 VanDerWaalsContact O-N 3.09Å; D572-E574 PolarHBondContact OD1-N 3.49Å; D572-C575 HydrophobicContact CB-CB 4.39Å; D572-C575 CarbonylContact O-C 3.57Å; D572-C575 WeakPolarHBondContact O-CA 3.22Å; D572-C575 WeakPolarHBondContact O-CB 3.45Å; D572-C575 PolarHBondContact O-N 3.24Å; D572-L576 PolarHBondContact O-N 3.01Å
573	P	81	Confident	90.8	Very high	64 Å²	64	49 Å²	49	42%	0.416	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.8	179	-26.1	34.7	0	0	0	115.4	Y537 C575 R578	Y537-P573 VanDerWaalsContact CD1-CD 3.4Å; Y537-P573 HydrophobicContact CD1-CG 4Å; Y537-P573 HydrophobicContact CE1-CG 4.37Å; P573-C575 VanDerWaalsContact C-N 3.28Å; P573-R578 HydrophobicContact CB-CG 4.11Å
574	E	81.4	Confident	90.8	Very high	181 Å²	181	49.7 Å²	49.7	85%	0.846	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-25.9	171.6	-64.4	-168.3	169.8	0	0	112.3	D572	D572-E574 PolarHBondContact O-N 3Å; D572-E574 VanDerWaalsContact O-N 3.09Å; D572-E574 PolarHBondContact OD1-N 3.49Å
575	C	87.6	Confident	90.7	Very high	51 Å²	51	51.4 Å²	51.4	35%	0.345	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-58.2	-179.6	-65.1	0	0	0	0	111.7	V569 Y570 D572 P573 F593	V569-C575 HydrophobicContact CG2-CB 3.98Å; Y570-C575 WeakPolarHBondContact O-CB 3.5Å; D572-C575 HydrophobicContact CB-CB 4.39Å; D572-C575 CarbonylContact O-C 3.57Å; D572-C575 WeakPolarHBondContact O-CA 3.22Å; D572-C575 WeakPolarHBondContact O-CB 3.45Å; D572-C575 PolarHBondContact O-N 3.24Å; P573-C575 VanDerWaalsContact C-N 3.28Å; C575-F593 WeakPolarHBondContact O-CE2 3.4Å; C575-F593 WeakPolarHBondContact O-CZ 3.45Å
576	L	91.7	Very high	90.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-81.5	121.5	179.6	-177.8	67.9	0	0	0	110.2	I560 C563 V569 Y570 D572 R578 L584 F589	I560-L576 HydrophobicContact CD1-CD2 4.13Å; I560-L576 HydrophobicContact CG2-CD2 3.85Å; C563-L576 HydrophobicContact CB-CD1 3.83Å; C563-L576 HydrophobicContact CB-CD2 4.32Å; V569-L576 HydrophobicContact CG1-CD1 3.8Å; Y570-L576 WeakPolarHBondContact O-CB 3.45Å; Y570-L576 PolarHBondContact O-N 3.46Å; D572-L576 PolarHBondContact O-N 3.01Å; L576-R578 WeakPolarHBondContact O-CG 3.4Å; L576-R578 PolarHBondContact O-N 3.41Å; L576-R578 VanDerWaalsContact O-N 3.16Å; L576-L584 HydrophobicContact CD1-CD1 4.28Å; L576-L584 HydrophobicContact CG-CD1 4.48Å; L576-F589 HydrophobicContact CD1-CD2 3.56Å; L576-F589 HydrophobicContact CD1-CE2 3.51Å
577	P	91.6	Very high	90.5	Very high	19 Å²	19	53.4 Å²	53.4	12%	0.123	28%	0.281	C	S	.	.			trans	-63.7	117.1	-177.4	-25.2	36.5	0	0	0	113.1	N585 K588 F593	P577-N585 HydrophobicContact CB-CB 3.83Å; P577-N585 PolarHBondContact O-N 3.07Å; P577-K588 HydrophobicContact CB-CB 3.68Å; P577-K588 HydrophobicContact CG-CB 3.95Å; P577-F593 HydrophobicContact CG-CD2 3.93Å; P577-F593 HydrophobicContact CG-CE2 3.63Å
578	R	92.9	Very high	90.4	Very high	45 Å²	45	58.7 Å²	58.7	17%	0.17	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-111.3	154.5	175.3	-54.8	-58.8	-76.2	-89.9	-2.3	112.1	Y537 P573 L576 F582 G583	Y537-R578 PolarHBondContact O-NH1 3.34Å; P573-R578 HydrophobicContact CB-CG 4.11Å; L576-R578 WeakPolarHBondContact O-CG 3.4Å; L576-R578 PolarHBondContact O-N 3.41Å; L576-R578 VanDerWaalsContact O-N 3.16Å; R578-F582 PolarHBondContact NE-O 3.39Å; R578-F582 PolarHBondContact NH2-O 3.43Å; R578-G583 VanDerWaalsContact CA-O 3.3Å; R578-G583 WeakPolarHBondContact CA-O 3.35Å; R578-G583 WeakPolarHBondContact CD-O 3.4Å; R578-G583 PolarHBondContact NE-O 2.98Å
579	T	92.4	Very high	90.6	Very high	46 Å²	46	54.7 Å²	54.7	28%	0.282	28%	0.283	S	S	.	.			trans	-89.7	164.4	169.9	49.5	0	0	0	0	110.6	D581 F582 G583 N585	T579-D581 WeakPolarHBondContact CB-OD1 3.17Å; T579-D581 PolarHBondContact O-N 2.94Å; T579-D581 PolarHBondContact OG1-OD1 3.27Å; T579-F582 PolarHBondContact O-N 3.49Å; T579-G583 PolarHBondContact N-O 2.5Å; T579-G583 VanDerWaalsContact OG1-C 3.26Å; T579-G583 WeakPolarHBondContact OG1-CA 3.46Å; T579-G583 PolarHBondContact OG1-N 3.31Å; T579-G583 PolarHBondContact OG1-O 3.24Å; T579-N585 HydrophobicContact CG2-CB 3.95Å
580	L	88.4	Confident	90.7	Very high	181 Å²	181	55.8 Å²	55.8	95%	0.948	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.9	-178.3	-68.3	173.9	0	0	0	113.6	F582	L580-F582 PolarHBondContact O-N 3.4Å
581	D	89.6	Confident	90.7	Very high	79 Å²	79	59.1 Å²	59.1	42%	0.422	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	17	174	57.1	6.2	0	0	0	113.1	T579 G583 L612	T579-D581 WeakPolarHBondContact CB-OD1 3.17Å; T579-D581 PolarHBondContact O-N 2.94Å; T579-D581 PolarHBondContact OG1-OD1 3.27Å; D581-G583 PolarHBondContact O-N 3.01Å; D581-G583 PolarHBondContact OD1-N 2.98Å; D581-L612 WeakPolarHBondContact OD2-CD1 3.5Å
582	F	90.6	Very high	90.8	Very high	96 Å²	96	66.2 Å²	66.2	42%	0.421	34%	0.339	S	S	.	.	S	Bend	trans	67.7	12.4	178.7	-44	-74.1	0	0	0	114.9	P541 L544 R578 T579 L580	P541-F582 HydrophobicContact CB-CB 4.36Å; P541-F582 HydrophobicContact CG-CB 4.23Å; L544-F582 HydrophobicContact CD1-CB 4.19Å; L544-F582 HydrophobicContact CD1-CG 4.21Å; R578-F582 PolarHBondContact NE-O 3.39Å; R578-F582 PolarHBondContact NH2-O 3.43Å; T579-F582 PolarHBondContact O-N 3.49Å; L580-F582 PolarHBondContact O-N 3.4Å
583	G	92.4	Very high	91.1	Very high	2 Å²	2	65.6 Å²	65.6	2%	0.021	33%	0.334	C	S	.	.			trans	-74.9	-177.7	170.6	0	0	0	0	0	113.9	R578 T579 D581	R578-G583 VanDerWaalsContact CA-O 3.3Å; R578-G583 WeakPolarHBondContact CA-O 3.35Å; R578-G583 WeakPolarHBondContact CD-O 3.4Å; R578-G583 PolarHBondContact NE-O 2.98Å; T579-G583 PolarHBondContact N-O 2.5Å; T579-G583 VanDerWaalsContact OG1-C 3.26Å; T579-G583 WeakPolarHBondContact OG1-CA 3.46Å; T579-G583 PolarHBondContact OG1-N 3.31Å; T579-G583 PolarHBondContact OG1-O 3.24Å; D581-G583 PolarHBondContact O-N 3.01Å; D581-G583 PolarHBondContact OD1-N 2.98Å
584	L	95.6	Very high	91.7	Very high	15 Å²	15	65 Å²	65	8%	0.079	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-84.4	130.3	171.6	178.2	67.9	0	0	0	109.9	L576 V586 F589 V607 C610	L576-L584 HydrophobicContact CD1-CD1 4.28Å; L576-L584 HydrophobicContact CG-CD1 4.48Å; L584-V586 HydrophobicContact CD2-CG2 4.34Å; L584-V586 HydrophobicContact CG-CG2 4.44Å; L584-V586 PolarHBondContact O-N 3.44Å; L584-F589 HydrophobicContact CD1-CD2 4.33Å; L584-V607 HydrophobicContact CD2-CG2 4.33Å; L584-C610 HydrophobicContact CB-CB 3.88Å; L584-C610 HydrophobicContact CD2-CB 4.26Å
585	N	94.8	Very high	92.1	Very high	39 Å²	39	58.2 Å²	58.2	21%	0.209	30%	0.299	C	S	.	.			trans	-85	90.4	170.7	-171.4	-37.1	0	0	0	109.8	P577 T579 G587 K588 F589	P577-N585 HydrophobicContact CB-CB 3.83Å; P577-N585 PolarHBondContact O-N 3.07Å; T579-N585 HydrophobicContact CG2-CB 3.95Å; N585-G587 PolarHBondContact O-N 3.41Å; N585-K588 HydrophobicContact CB-CB 4.41Å; N585-K588 PolarHBondContact O-N 2.68Å; N585-K588 PolarHBondContact OD1-N 3.28Å; N585-K588 VanDerWaalsContact OD1-N 3.11Å; N585-F589 WeakPolarHBondContact O-CB 3.3Å; N585-F589 PolarHBondContact O-N 2.83Å
586	V	94.4	Very high	92.2	Very high	15 Å²	15	65.6 Å²	65.6	9%	0.091	33%	0.329	C	S	.	.	H	α-helix	trans	-59.1	-47.5	-174.3	-177.2	0	0	0	0	111.8	L584 K588 F589 V590 F603 V607 Y655	L584-V586 HydrophobicContact CD2-CG2 4.34Å; L584-V586 HydrophobicContact CG-CG2 4.44Å; L584-V586 PolarHBondContact O-N 3.44Å; V586-K588 PolarHBondContact O-N 3.18Å; V586-F589 PolarHBondContact O-N 3.44Å; V586-F589 VanDerWaalsContact O-N 3.17Å; V586-V590 HydrophobicContact CG1-CG2 4.25Å; V586-V590 VanDerWaalsContact O-CG2 3.3Å; V586-V590 WeakPolarHBondContact O-CG2 3.33Å; V586-V590 PolarHBondContact O-N 3.34Å; V586-F603 HydrophobicContact CG1-CE1 3.85Å; V586-F603 HydrophobicContact CG1-CZ 3.96Å; V586-V607 HydrophobicContact CG1-CG2 4.01Å; V586-V607 HydrophobicContact CG2-CG1 3.84Å; V586-V607 HydrophobicContact CG2-CG2 3.98Å; V586-Y655 HydrophobicContact CB-CE1 4.3Å; V586-Y655 HydrophobicContact CB-CE2 4.09Å; V586-Y655 HydrophobicContact CG1-CD2 3.95Å; V586-Y655 HydrophobicContact CG1-CE1 4.18Å; V586-Y655 HydrophobicContact CG1-CE2 3.46Å; V586-Y655 VanDerWaalsContact CG1-CE2 3.46Å; V586-Y655 HydrophobicContact CG1-CG 4.48Å
587	G	92.1	Very high	92.2	Very high	27 Å²	27	70.7 Å²	70.7	28%	0.278	36%	0.356	S	S	.	.	H	α-helix	trans	-59.1	-48.3	-178.2	0	0	0	0	0	112.9	N585 F589 V590 E591	N585-G587 PolarHBondContact O-N 3.41Å; G587-F589 VanDerWaalsContact C-N 3.33Å; G587-F589 PolarHBondContact O-N 3.17Å; G587-V590 PolarHBondContact O-N 3.22Å; G587-E591 PolarHBondContact O-N 2.92Å; G587-E591 VanDerWaalsContact O-N 3.07Å
588	K	92.1	Very high	92.3	Very high	125 Å²	125	71 Å²	71	54%	0.543	36%	0.358	S	S	.	.	H	α-helix	trans	-67.8	-32.1	177	-71.8	-171.3	178.2	-175.9	0	113	P577 N585 V586 K592	P577-K588 HydrophobicContact CB-CB 3.68Å; P577-K588 HydrophobicContact CG-CB 3.95Å; N585-K588 HydrophobicContact CB-CB 4.41Å; N585-K588 PolarHBondContact O-N 2.68Å; N585-K588 PolarHBondContact OD1-N 3.28Å; N585-K588 VanDerWaalsContact OD1-N 3.11Å; V586-K588 PolarHBondContact O-N 3.18Å; K588-K592 WeakPolarHBondContact O-CB 3.26Å; K588-K592 PolarHBondContact O-N 3.38Å; K588-K592 VanDerWaalsContact O-N 3.16Å
589	F	94.8	Very high	92.4	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-67.1	-46.4	176	-172	-80.9	0	0	0	111	C563 I566 V569 L576 L584 N585 V586 G587 E591 K592 F593 L594 F603	C563-F589 HydrophobicContact CB-CE2 3.77Å; C563-F589 HydrophobicContact CB-CZ 4.11Å; I566-F589 HydrophobicContact CG2-CE1 4.16Å; I566-F589 HydrophobicContact CG2-CZ 4.37Å; V569-F589 HydrophobicContact CG1-CE2 4.09Å; L576-F589 HydrophobicContact CD1-CD2 3.56Å; L576-F589 HydrophobicContact CD1-CE2 3.51Å; L584-F589 HydrophobicContact CD1-CD2 4.33Å; N585-F589 WeakPolarHBondContact O-CB 3.3Å; N585-F589 PolarHBondContact O-N 2.83Å; V586-F589 PolarHBondContact O-N 3.44Å; V586-F589 VanDerWaalsContact O-N 3.17Å; G587-F589 VanDerWaalsContact C-N 3.33Å; G587-F589 PolarHBondContact O-N 3.17Å; F589-E591 VanDerWaalsContact C-N 3.31Å; F589-E591 PolarHBondContact O-N 3.34Å; F589-K592 PolarHBondContact O-N 2.95Å; F589-F593 HydrophobicContact CD1-CB 4.36Å; F589-F593 HydrophobicContact CD2-CB 4.07Å; F589-F593 HydrophobicContact CD2-CD2 4.31Å; F589-F593 HydrophobicContact CE1-CB 4.19Å; F589-F593 HydrophobicContact CE2-CB 3.88Å; F589-F593 HydrophobicContact CE2-CG 4.49Å; F589-F593 HydrophobicContact CG-CB 4.31Å; F589-F593 HydrophobicContact CZ-CB 3.96Å; F589-F593 WeakPolarHBondContact O-CA 3.48Å; F589-F593 PolarHBondContact O-N 3.04Å; F589-L594 HydrophobicContact CD1-CB 4.39Å; F589-L594 HydrophobicContact CE1-CB 4.37Å; F589-L594 PolarHBondContact O-N 3.44Å; F589-L594 VanDerWaalsContact O-N 3.11Å; F589-F603 HydrophobicContact CB-CZ 4.33Å; F589-F603 AromaticContact CD1-CD2 3.97Å; F589-F603 HydrophobicContact CD1-CD2 3.97Å; F589-F603 AromaticContact CD1-CE2 3.16Å; F589-F603 HydrophobicContact CD1-CE2 3.16Å; F589-F603 AromaticContact CD1-CZ 3.5Å; F589-F603 HydrophobicContact CD1-CZ 3.5Å; F589-F603 AromaticContact CE1-CD2 3.78Å; F589-F603 HydrophobicContact CE1-CD2 3.78Å; F589-F603 AromaticContact CE1-CE2 3.39Å; F589-F603 HydrophobicContact CE1-CE2 3.39Å; F589-F603 HydrophobicContact CE1-CZ 4.17Å; F589-F603 AromaticContact CG-CE2 3.97Å; F589-F603 HydrophobicContact CG-CE2 3.97Å; F589-F603 HydrophobicContact CG-CZ 4.17Å; F589-F603 HydrophobicContact CZ-CE2 4.34Å
590	V	92.9	Very high	92.2	Very high	38 Å²	38	69.1 Å²	69.1	23%	0.23	35%	0.352	C	S	.	.	H	α-helix	trans	-57.1	-46.8	176.2	171.2	0	0	0	0	110.7	V586 G587 K592 L594 F603	V586-V590 HydrophobicContact CG1-CG2 4.25Å; V586-V590 VanDerWaalsContact O-CG2 3.3Å; V586-V590 WeakPolarHBondContact O-CG2 3.33Å; V586-V590 PolarHBondContact O-N 3.34Å; G587-V590 PolarHBondContact O-N 3.22Å; V590-K592 PolarHBondContact O-N 3.29Å; V590-L594 HydrophobicContact CG1-CD2 4.27Å; V590-L594 HydrophobicContact CG2-CD2 4.13Å; V590-F603 HydrophobicContact CG2-CD1 4.28Å; V590-F603 HydrophobicContact CG2-CE1 3.45Å; V590-F603 VanDerWaalsContact CG2-CE1 3.45Å; V590-F603 HydrophobicContact CG2-CZ 4.01Å
591	E	90.7	Very high	92.3	Very high	168 Å²	168	60.5 Å²	60.5	79%	0.785	31%	0.308	S	S	*	.	H	α-helix	trans	-64.2	-40	-178.1	-174	-174.9	175.3	0	0	113.5	G587 F589	G587-E591 PolarHBondContact O-N 2.92Å; G587-E591 VanDerWaalsContact O-N 3.07Å; F589-E591 VanDerWaalsContact C-N 3.31Å; F589-E591 PolarHBondContact O-N 3.34Å
592	K	92.3	Very high	92.6	Very high	149 Å²	149	56.8 Å²	56.8	65%	0.648	29%	0.287	S	S	*	.	H	α-helix	trans	-107.6	-28	-166.7	-174.3	172.8	173	-171.9	0	114.9	K588 F589 V590	K588-K592 WeakPolarHBondContact O-CB 3.26Å; K588-K592 PolarHBondContact O-N 3.38Å; K588-K592 VanDerWaalsContact O-N 3.16Å; F589-K592 PolarHBondContact O-N 2.95Å; V590-K592 PolarHBondContact O-N 3.29Å
593	F	93.1	Very high	92.9	Very high	37 Å²	37	52.4 Å²	52.4	16%	0.162	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.2	-17.8	-165.6	-63.5	-74.7	0	0	0	114.6	G567 V569 C575 P577 F589 P595	G567-F593 WeakPolarHBondContact CA-O 3.42Å; V569-F593 HydrophobicContact CB-CD1 3.84Å; V569-F593 HydrophobicContact CB-CE1 3.94Å; V569-F593 HydrophobicContact CG1-CD1 4.4Å; V569-F593 HydrophobicContact CG2-CD1 3.87Å; V569-F593 HydrophobicContact CG2-CE1 3.46Å; V569-F593 VanDerWaalsContact CG2-CE1 3.46Å; V569-F593 HydrophobicContact CG2-CZ 3.83Å; C575-F593 WeakPolarHBondContact O-CE2 3.4Å; C575-F593 WeakPolarHBondContact O-CZ 3.45Å; P577-F593 HydrophobicContact CG-CD2 3.93Å; P577-F593 HydrophobicContact CG-CE2 3.63Å; F589-F593 HydrophobicContact CD1-CB 4.36Å; F589-F593 HydrophobicContact CD2-CB 4.07Å; F589-F593 HydrophobicContact CD2-CD2 4.31Å; F589-F593 HydrophobicContact CE1-CB 4.19Å; F589-F593 HydrophobicContact CE2-CB 3.88Å; F589-F593 HydrophobicContact CE2-CG 4.49Å; F589-F593 HydrophobicContact CG-CB 4.31Å; F589-F593 HydrophobicContact CZ-CB 3.96Å; F589-F593 WeakPolarHBondContact O-CA 3.48Å; F589-F593 PolarHBondContact O-N 3.04Å; F593-P595 WeakPolarHBondContact O-CD 3.5Å
594	L	93.6	Very high	93.1	Very high	51 Å²	51	52.6 Å²	52.6	27%	0.267	27%	0.269	S	S	.	.			trans	-78.4	116.2	179.2	-175.8	65	0	0	0	110.1	I566 F589 V590 C598 F603	I566-L594 HydrophobicContact CG2-CD1 3.69Å; F589-L594 HydrophobicContact CD1-CB 4.39Å; F589-L594 HydrophobicContact CE1-CB 4.37Å; F589-L594 PolarHBondContact O-N 3.44Å; F589-L594 VanDerWaalsContact O-N 3.11Å; V590-L594 HydrophobicContact CG1-CD2 4.27Å; V590-L594 HydrophobicContact CG2-CD2 4.13Å; L594-C598 HydrophobicContact CD1-CB 3.84Å; L594-F603 HydrophobicContact CD1-CB 3.73Å; L594-F603 HydrophobicContact CD1-CD1 4.31Å; L594-F603 HydrophobicContact CD1-CD2 4.2Å; L594-F603 HydrophobicContact CD1-CG 3.82Å; L594-F603 HydrophobicContact CD2-CD1 3.98Å; L594-F603 HydrophobicContact CD2-CE1 4.47Å; L594-F603 HydrophobicContact CD2-CG 4.33Å
595	P	91.7	Very high	93.2	Very high	40 Å²	40	51.9 Å²	51.9	26%	0.26	27%	0.266	S	S	.	.			trans	-71.2	146.8	175.6	-17.1	33.8	0	0	0	111.3	W451 F593 D597 C598	W451-P595 HydrophobicContact CH2-CB 4.32Å; W451-P595 HydrophobicContact CH2-CG 3.85Å; W451-P595 HydrophobicContact CZ2-CB 3.87Å; W451-P595 HydrophobicContact CZ2-CG 3.85Å; F593-P595 WeakPolarHBondContact O-CD 3.5Å; P595-D597 VanDerWaalsContact CB-OD1 3.24Å; P595-D597 WeakPolarHBondContact CB-OD1 3.15Å; P595-D597 PolarHBondContact O-N 3.38Å; P595-C598 VanDerWaalsContact O-CB 3.22Å; P595-C598 WeakPolarHBondContact O-CB 3.41Å; P595-C598 PolarHBondContact O-N 3.08Å; P595-C598 VanDerWaalsContact O-N 3.17Å
596	E	88.9	Confident	93.3	Very high	206 Å²	206	50 Å²	50	96%	0.963	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-28.8	-179.1	-64.2	-175.5	171.8	0	0	113.4	C598	E596-C598 VanDerWaalsContact C-N 3.29Å; E596-C598 PolarHBondContact O-N 3.1Å
597	D	92.1	Very high	93.4	Very high	107 Å²	107	50.8 Å²	50.8	57%	0.572	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	8.7	-179.1	68	-32.8	0	0	0	113.4	W451 P595	W451-D597 PolarHBondContact NE1-O 3.39Å; W451-D597 VanDerWaalsContact NE1-O 3.16Å; W451-D597 PolarHBondContact NE1-OD1 3.11Å; W451-D597 PolarHBondContact NE1-OD2 3.19Å; P595-D597 VanDerWaalsContact CB-OD1 3.24Å; P595-D597 WeakPolarHBondContact CB-OD1 3.15Å; P595-D597 PolarHBondContact O-N 3.38Å
598	C	93.5	Very high	93.6	Very high	25 Å²	25	50.4 Å²	50.4	17%	0.169	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-60	128.7	177.1	-173	0	0	0	0	111.2	W451 L594 P595 E596	W451-C598 HydrophobicContact CH2-CB 3.77Å; W451-C598 HydrophobicContact CZ2-CB 3.99Å; W451-C598 HydrophobicContact CZ3-CB 4.28Å; L594-C598 HydrophobicContact CD1-CB 3.84Å; P595-C598 VanDerWaalsContact O-CB 3.22Å; P595-C598 WeakPolarHBondContact O-CB 3.41Å; P595-C598 PolarHBondContact O-N 3.08Å; P595-C598 VanDerWaalsContact O-N 3.17Å; E596-C598 VanDerWaalsContact C-N 3.29Å; E596-C598 PolarHBondContact O-N 3.1Å
599	P	93.7	Very high	93.9	Very high	10 Å²	10	44.5 Å²	44.5	7%	0.065	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-55.9	146	178.9	-27.8	33.3	0	0	0	112.9	W451 F602 L630 L634	W451-P599 HydrophobicContact CB-CG 3.67Å; W451-P599 HydrophobicContact CD2-CG 4Å; W451-P599 HydrophobicContact CE3-CG 4.06Å; W451-P599 HydrophobicContact CG-CG 3.82Å; P599-F602 HydrophobicContact CB-CB 4.26Å; P599-F602 WeakPolarHBondContact O-CB 3.34Å; P599-F602 PolarHBondContact O-N 3.46Å; P599-L630 HydrophobicContact CB-CD1 4.24Å; P599-L634 HydrophobicContact CB-CD1 4.36Å; P599-L634 HydrophobicContact CB-CD2 4.01Å; P599-L634 HydrophobicContact CG-CD1 3.95Å; P599-L634 HydrophobicContact CG-CD2 3.91Å
600	P	88.1	Confident	94.1	Very high	41 Å²	41	44.9 Å²	44.9	27%	0.266	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	147.4	174.7	25.9	-33.8	0	0	0	110.4	F602 L630 Y633 L640	P600-F602 PolarHBondContact O-N 3Å; P600-L630 WeakPolarHBondContact O-CD1 3.04Å; P600-Y633 HydrophobicContact CG-CD1 4.39Å; P600-Y633 HydrophobicContact CG-CE1 3.56Å; P600-L640 HydrophobicContact CB-CD1 4.41Å; P600-L640 HydrophobicContact CG-CD1 4.23Å
601	A	91.9	Very high	94.3	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.008	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	-14.7	-177.4	0	0	0	0	0	116.8	P604 L605 L640 L644 N648	A601-P604 VanDerWaalsContact C-CD 3.48Å; A601-P604 WeakPolarHBondContact O-CD 3.15Å; A601-L605 VanDerWaalsContact O-CG 3.25Å; A601-L605 WeakPolarHBondContact O-CG 3.49Å; A601-L605 PolarHBondContact O-N 3.47Å; A601-L640 HydrophobicContact CB-CD1 4.15Å; A601-L644 HydrophobicContact CB-CB 4.29Å; A601-L644 HydrophobicContact CB-CD2 3.84Å; A601-N648 HydrophobicContact CB-CB 4.16Å; A601-N648 PolarHBondContact N-OD1 2.91Å
602	F	96	Very high	94.5	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.2	-48.9	-176.5	-166.5	-146.6	0	0	0	113.3	W451 R454 V455 A458 L562 I565 I566 P599 P600 L605 A606 F627 L630	W451-F602 AromaticContact CE3-CD1 3.96Å; W451-F602 HydrophobicContact CE3-CD1 3.96Å; W451-F602 HydrophobicContact CE3-CE1 4.05Å; W451-F602 AromaticContact CZ3-CD1 3.88Å; W451-F602 HydrophobicContact CZ3-CD1 3.88Å; W451-F602 AromaticContact CZ3-CE1 3.99Å; W451-F602 HydrophobicContact CZ3-CE1 3.99Å; R454-F602 HydrophobicContact CB-CE1 4.06Å; R454-F602 HydrophobicContact CB-CZ 4.32Å; V455-F602 HydrophobicContact CG2-CD1 4.28Å; V455-F602 HydrophobicContact CG2-CD2 4.15Å; V455-F602 HydrophobicContact CG2-CE1 4.19Å; V455-F602 HydrophobicContact CG2-CE2 4.07Å; V455-F602 HydrophobicContact CG2-CG 4.27Å; V455-F602 HydrophobicContact CG2-CZ 4.1Å; A458-F602 HydrophobicContact CB-CE2 3.92Å; A458-F602 HydrophobicContact CB-CZ 4.22Å; L562-F602 HydrophobicContact CD2-CE2 4.1Å; L562-F602 HydrophobicContact CD2-CZ 4.43Å; I565-F602 HydrophobicContact CG2-CE1 4.46Å; I565-F602 HydrophobicContact CG2-CZ 4.27Å; I566-F602 HydrophobicContact CD1-CD1 4.04Å; I566-F602 HydrophobicContact CD1-CE1 4.2Å; I566-F602 HydrophobicContact CD1-CG 4.31Å; I566-F602 HydrophobicContact CG1-CD1 3.72Å; I566-F602 HydrophobicContact CG1-CE1 3.56Å; I566-F602 HydrophobicContact CG1-CG 4.47Å; I566-F602 HydrophobicContact CG1-CZ 4.19Å; P599-F602 HydrophobicContact CB-CB 4.26Å; P599-F602 WeakPolarHBondContact O-CB 3.34Å; P599-F602 PolarHBondContact O-N 3.46Å; P600-F602 PolarHBondContact O-N 3Å; F602-L605 WeakPolarHBondContact O-CB 3.49Å; F602-L605 PolarHBondContact O-N 3.29Å; F602-A606 PolarHBondContact O-N 3.33Å; F602-F627 HydrophobicContact CD2-CD1 4.29Å; F602-F627 AromaticContact CD2-CE1 3.8Å; F602-F627 HydrophobicContact CD2-CE1 3.8Å; F602-F627 HydrophobicContact CE2-CD1 4.13Å; F602-F627 AromaticContact CE2-CE1 3.63Å; F602-F627 HydrophobicContact CE2-CE1 3.63Å; F602-L630 HydrophobicContact CB-CD2 3.8Å; F602-L630 HydrophobicContact CD2-CD2 3.77Å; F602-L630 HydrophobicContact CG-CD2 4Å
603	F	96.6	Very high	94.7	Very high	4 Å²	4	37 Å²	37	2%	0.018	20%	0.203	C	C	.	.	H	α-helix	trans	-68.7	-42.3	173.1	179	-113.2	0	0	0	113.4	I566 V586 F589 V590 L594 L605 A606 V607 L651	I566-F603 HydrophobicContact CD1-CB 4.19Å; I566-F603 HydrophobicContact CD1-CD2 4.17Å; V586-F603 HydrophobicContact CG1-CE1 3.85Å; V586-F603 HydrophobicContact CG1-CZ 3.96Å; F589-F603 HydrophobicContact CB-CZ 4.33Å; F589-F603 AromaticContact CD1-CD2 3.97Å; F589-F603 HydrophobicContact CD1-CD2 3.97Å; F589-F603 AromaticContact CD1-CE2 3.16Å; F589-F603 HydrophobicContact CD1-CE2 3.16Å; F589-F603 AromaticContact CD1-CZ 3.5Å; F589-F603 HydrophobicContact CD1-CZ 3.5Å; F589-F603 AromaticContact CE1-CD2 3.78Å; F589-F603 HydrophobicContact CE1-CD2 3.78Å; F589-F603 AromaticContact CE1-CE2 3.39Å; F589-F603 HydrophobicContact CE1-CE2 3.39Å; F589-F603 HydrophobicContact CE1-CZ 4.17Å; F589-F603 AromaticContact CG-CE2 3.97Å; F589-F603 HydrophobicContact CG-CE2 3.97Å; F589-F603 HydrophobicContact CG-CZ 4.17Å; F589-F603 HydrophobicContact CZ-CE2 4.34Å; V590-F603 HydrophobicContact CG2-CD1 4.28Å; V590-F603 HydrophobicContact CG2-CE1 3.45Å; V590-F603 VanDerWaalsContact CG2-CE1 3.45Å; V590-F603 HydrophobicContact CG2-CZ 4.01Å; L594-F603 HydrophobicContact CD1-CB 3.73Å; L594-F603 HydrophobicContact CD1-CD1 4.31Å; L594-F603 HydrophobicContact CD1-CD2 4.2Å; L594-F603 HydrophobicContact CD1-CG 3.82Å; L594-F603 HydrophobicContact CD2-CD1 3.98Å; L594-F603 HydrophobicContact CD2-CE1 4.47Å; L594-F603 HydrophobicContact CD2-CG 4.33Å; F603-L605 PolarHBondContact O-N 3.03Å; F603-A606 HydrophobicContact CD2-CB 4.39Å; F603-A606 WeakPolarHBondContact O-CA 3.41Å; F603-A606 WeakPolarHBondContact O-CB 3.32Å; F603-A606 PolarHBondContact O-N 3Å; F603-V607 HydrophobicContact CD1-CG2 4.19Å; F603-V607 HydrophobicContact CD2-CG2 4.47Å; F603-V607 HydrophobicContact CE1-CG2 3.71Å; F603-V607 HydrophobicContact CE2-CG2 4.01Å; F603-V607 HydrophobicContact CZ-CG2 3.62Å; F603-V607 PolarHBondContact O-N 3.33Å; F603-L651 HydrophobicContact CD1-CD2 3.78Å; F603-L651 HydrophobicContact CE1-CD2 3.95Å
604	P	95.9	Very high	94.8	Very high	7 Å²	7	36.2 Å²	36.2	5%	0.045	20%	0.201	C	C	.	.	H	α-helix	trans	-51.9	-36.3	170.9	-29.2	32.1	0	0	0	114.5	A601 V607 A608 L647 N648 L651	A601-P604 VanDerWaalsContact C-CD 3.48Å; A601-P604 WeakPolarHBondContact O-CD 3.15Å; P604-V607 PolarHBondContact O-N 3.16Å; P604-A608 WeakPolarHBondContact O-CB 3.48Å; P604-A608 PolarHBondContact O-N 3.41Å; P604-L647 HydrophobicContact CB-CD2 4.08Å; P604-L647 HydrophobicContact CB-CG 3.87Å; P604-N648 HydrophobicContact CG-CB 4.41Å; P604-L651 HydrophobicContact CB-CB 4.32Å; P604-L651 HydrophobicContact CG-CB 4.11Å; P604-L651 HydrophobicContact CG-CD2 4Å
605	L	97.1	Very high	94.9	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.7	-42.1	172.9	-74.9	169.7	0	0	0	112.7	A601 F602 F603 V607 A608 C609 L623 W626 F627 L644 L647	A601-L605 VanDerWaalsContact O-CG 3.25Å; A601-L605 WeakPolarHBondContact O-CG 3.49Å; A601-L605 PolarHBondContact O-N 3.47Å; F602-L605 WeakPolarHBondContact O-CB 3.49Å; F602-L605 PolarHBondContact O-N 3.29Å; F603-L605 PolarHBondContact O-N 3.03Å; L605-V607 VanDerWaalsContact C-N 3.32Å; L605-V607 PolarHBondContact O-N 2.84Å; L605-A608 PolarHBondContact O-N 3.36Å; L605-C609 PolarHBondContact O-N 3.24Å; L605-C609 PolarHBondContact O-SG 3.48Å; L605-L623 HydrophobicContact CD2-CD2 4.13Å; L605-W626 HydrophobicContact CD1-CB 4.44Å; L605-W626 HydrophobicContact CD2-CB 4.36Å; L605-W626 HydrophobicContact CD2-CD2 4.01Å; L605-W626 HydrophobicContact CD2-CE3 3.25Å; L605-W626 HydrophobicContact CD2-CZ3 3.69Å; L605-F627 HydrophobicContact CB-CE1 4.38Å; L605-F627 HydrophobicContact CB-CZ 4.47Å; L605-F627 HydrophobicContact CD1-CD1 3.99Å; L605-F627 HydrophobicContact CD1-CE1 3.57Å; L605-F627 HydrophobicContact CD1-CZ 4.19Å; L605-L644 HydrophobicContact CD1-CD2 3.82Å; L605-L644 HydrophobicContact CD2-CD2 3.78Å; L605-L644 HydrophobicContact CG-CD2 3.88Å; L605-L647 HydrophobicContact CD2-CD2 4.04Å; L605-L647 HydrophobicContact CG-CD2 4.39Å
606	A	97.6	Very high	95	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.7	-42.7	174.1	0	0	0	0	0	111.5	L562 I566 F602 F603 C609 C610	L562-A606 HydrophobicContact CB-CB 3.68Å; L562-A606 HydrophobicContact CD1-CB 4.04Å; I566-A606 HydrophobicContact CD1-CB 4.07Å; F602-A606 PolarHBondContact O-N 3.33Å; F603-A606 HydrophobicContact CD2-CB 4.39Å; F603-A606 WeakPolarHBondContact O-CA 3.41Å; F603-A606 WeakPolarHBondContact O-CB 3.32Å; F603-A606 PolarHBondContact O-N 3Å; A606-C609 WeakPolarHBondContact O-CB 3.07Å; A606-C609 PolarHBondContact O-N 2.93Å; A606-C610 PolarHBondContact O-N 3.19Å; A606-C610 VanDerWaalsContact O-N 3.1Å; A606-C610 PolarHBondContact O-SG 2.96Å; A606-C610 VanDerWaalsContact O-SG 3.38Å
607	V	96.9	Very high	95.5	Very high	30 Å²	30	30.2 Å²	30.2	18%	0.182	17%	0.174	C	C	.	.	H	α-helix	trans	-63.4	-44.5	176.4	178.1	0	0	0	0	111.5	L584 V586 F603 P604 L605 C609 C610 D611 L651	L584-V607 HydrophobicContact CD2-CG2 4.33Å; V586-V607 HydrophobicContact CG1-CG2 4.01Å; V586-V607 HydrophobicContact CG2-CG1 3.84Å; V586-V607 HydrophobicContact CG2-CG2 3.98Å; F603-V607 HydrophobicContact CD1-CG2 4.19Å; F603-V607 HydrophobicContact CD2-CG2 4.47Å; F603-V607 HydrophobicContact CE1-CG2 3.71Å; F603-V607 HydrophobicContact CE2-CG2 4.01Å; F603-V607 HydrophobicContact CZ-CG2 3.62Å; F603-V607 PolarHBondContact O-N 3.33Å; P604-V607 PolarHBondContact O-N 3.16Å; L605-V607 VanDerWaalsContact C-N 3.32Å; L605-V607 PolarHBondContact O-N 2.84Å; V607-C609 VanDerWaalsContact C-N 3.27Å; V607-C609 PolarHBondContact O-N 3.42Å; V607-C610 CarbonylContact O-C 2.93Å; V607-C610 PolarHBondContact O-N 3.3Å; V607-C610 VanDerWaalsContact O-N 3.08Å; V607-D611 PolarHBondContact O-N 3.4Å; V607-L651 HydrophobicContact CB-CD1 3.84Å; V607-L651 HydrophobicContact CG1-CD1 3.73Å; V607-L651 HydrophobicContact CG2-CD1 3.89Å
608	A	97	Very high	95.7	Very high	20 Å²	20	25.8 Å²	25.8	17%	0.165	15%	0.151	C	C	.	.	H	α-helix	trans	-61.9	-34.5	177.1	0	0	0	0	0	112.7	P604 L605 C610 L647	P604-A608 WeakPolarHBondContact O-CB 3.48Å; P604-A608 PolarHBondContact O-N 3.41Å; L605-A608 PolarHBondContact O-N 3.36Å; A608-C610 VanDerWaalsContact C-N 3.35Å; A608-L647 HydrophobicContact CB-CD1 4.37Å; A608-L647 HydrophobicContact CB-CD2 4.29Å
609	C	98.3	Very high	95.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-68.4	-34.8	174.1	-66.6	0	0	0	0	112.3	I555 F556 G559 L605 A606 V607 D611 R617	I555-C609 HydrophobicContact CG2-CB 4.04Å; I555-C609 WeakPolarHBondContact O-CB 3.37Å; F556-C609 WeakPolarHBondContact CA-O 3.32Å; G559-C609 VanDerWaalsContact CA-CB 3.49Å; L605-C609 PolarHBondContact O-N 3.24Å; L605-C609 PolarHBondContact O-SG 3.48Å; A606-C609 WeakPolarHBondContact O-CB 3.07Å; A606-C609 PolarHBondContact O-N 2.93Å; V607-C609 VanDerWaalsContact C-N 3.27Å; V607-C609 PolarHBondContact O-N 3.42Å; C609-D611 VanDerWaalsContact C-N 3.29Å; C609-D611 PolarHBondContact O-N 3.04Å; C609-R617 WeakPolarHBondContact O-CD 3.43Å
610	C	97.7	Very high	96.1	Very high	8 Å²	8	27 Å²	27	5%	0.054	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	11.5	-178.8	-69.9	0	0	0	0	114.6	F556 L584 A606 V607 A608 L612	F556-C610 HydrophobicContact CE2-CB 4.32Å; F556-C610 WeakPolarHBondContact CE2-O 3.5Å; L584-C610 HydrophobicContact CB-CB 3.88Å; L584-C610 HydrophobicContact CD2-CB 4.26Å; A606-C610 PolarHBondContact O-N 3.19Å; A606-C610 VanDerWaalsContact O-N 3.1Å; A606-C610 PolarHBondContact O-SG 2.96Å; A606-C610 VanDerWaalsContact O-SG 3.38Å; V607-C610 CarbonylContact O-C 2.93Å; V607-C610 PolarHBondContact O-N 3.3Å; V607-C610 VanDerWaalsContact O-N 3.08Å; A608-C610 VanDerWaalsContact C-N 3.35Å; C610-L612 PolarHBondContact O-N 3.44Å
611	D	97.1	Very high	96.5	Very high	53 Å²	53	29.9 Å²	29.9	28%	0.283	17%	0.169	S	C	.	.			trans	-60.1	134.2	177.3	-165.8	-46.7	0	0	0	110.8	V607 C609 T613 N616 R617	V607-D611 PolarHBondContact O-N 3.4Å; C609-D611 VanDerWaalsContact C-N 3.29Å; C609-D611 PolarHBondContact O-N 3.04Å; D611-T613 PolarHBondContact O-N 3.19Å; D611-T613 WeakPolarHBondContact OD1-CA 3.45Å; D611-T613 WeakPolarHBondContact OD1-CB 3.3Å; D611-T613 PolarHBondContact OD1-N 3.43Å; D611-N616 HydrophobicContact CB-CB 4.18Å; D611-N616 WeakPolarHBondContact OD2-CB 3.45Å; D611-N616 PolarHBondContact OD2-ND2 3.38Å; D611-R617 HydrophobicContact CB-CG 4.21Å; D611-R617 PolarHBondContact O-NE 3.46Å; D611-R617 PolarHBondContact O-NH2 2.96Å
612	L	95.1	Very high	96.7	Very high	72 Å²	72	33.2 Å²	33.2	38%	0.377	18%	0.184	S	C	.	.	S	Bend	trans	-65.4	-25.6	178.4	-64.6	174	0	0	0	112.3	P541 D581 C610 P614	P541-L612 HydrophobicContact CB-CD2 4.45Å; P541-L612 HydrophobicContact CG-CD2 3.82Å; D581-L612 WeakPolarHBondContact OD2-CD1 3.5Å; C610-L612 PolarHBondContact O-N 3.44Å; L612-P614 WeakPolarHBondContact O-CD 3.46Å
613	T	96.2	Very high	96.8	Very high	66 Å²	66	33.2 Å²	33.2	41%	0.405	18%	0.184	S	C	.	.	S	Bend	trans	-89.3	110.5	175.5	-54.6	0	0	0	0	109.5	D611 D615 N616	D611-T613 PolarHBondContact O-N 3.19Å; D611-T613 WeakPolarHBondContact OD1-CA 3.45Å; D611-T613 WeakPolarHBondContact OD1-CB 3.3Å; D611-T613 PolarHBondContact OD1-N 3.43Å; T613-D615 HydrophobicContact CG2-CB 4.45Å; T613-D615 PolarHBondContact O-N 3.01Å; T613-D615 VanDerWaalsContact O-N 3.12Å; T613-N616 WeakPolarHBondContact O-CB 3.47Å; T613-N616 PolarHBondContact O-N 2.98Å
614	P	95.1	Very high	96.9	Very high	19 Å²	19	34.9 Å²	34.9	12%	0.123	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-61.3	-29.8	-173.9	-23.4	34	0	0	0	114	E542 K552 L612 N616 R617	E542-P614 HydrophobicContact CG-CG 4.19Å; E542-P614 WeakPolarHBondContact OE1-CG 3.44Å; K552-P614 HydrophobicContact CB-CB 3.75Å; K552-P614 HydrophobicContact CG-CB 4.24Å; K552-P614 WeakPolarHBondContact CG-O 3.25Å; K552-P614 PolarHBondContact NZ-O 2.87Å; L612-P614 WeakPolarHBondContact O-CD 3.46Å; P614-N616 VanDerWaalsContact C-N 3.28Å; P614-N616 PolarHBondContact O-N 3.33Å; P614-R617 WeakPolarHBondContact O-CB 3.4Å; P614-R617 PolarHBondContact O-N 3.27Å
615	D	95.4	Very high	96.9	Very high	69 Å²	69	38.9 Å²	38.9	37%	0.369	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-70.7	-23.8	-179.4	-69.4	-58.9	0	0	0	113	K527 T613	K527-D615 IonicContact NZ-OD1 2.81Å; K527-D615 IonicContact NZ-OD2 2.79Å; K527-D615 PolarHBondContact NZ-OD2 2.65Å; T613-D615 HydrophobicContact CG2-CB 4.45Å; T613-D615 PolarHBondContact O-N 3.01Å; T613-D615 VanDerWaalsContact O-N 3.12Å
616	N	95.8	Very high	96.9	Very high	100 Å²	100	40.1 Å²	40.1	54%	0.535	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-78.5	-21.9	176.3	-66.4	-4.8	0	0	0	112.5	D611 T613 P614	D611-N616 HydrophobicContact CB-CB 4.18Å; D611-N616 WeakPolarHBondContact OD2-CB 3.45Å; D611-N616 PolarHBondContact OD2-ND2 3.38Å; T613-N616 WeakPolarHBondContact O-CB 3.47Å; T613-N616 PolarHBondContact O-N 2.98Å; P614-N616 VanDerWaalsContact C-N 3.28Å; P614-N616 PolarHBondContact O-N 3.33Å
617	R	97.6	Very high	96.9	Very high	3 Å²	3	40.1 Å²	40.1	1%	0.011	22%	0.217	C	C	.	.	S	Bend	trans	-66.5	132.6	-178.1	-56.9	179.2	-165.6	144.4	7.6	110.8	E542 K552 I555 C609 D611 P614	E542-R617 IonicContact OE1-CZ 3.19Å; E542-R617 IonicContact OE1-NH1 3.22Å; E542-R617 PolarHBondContact OE1-NH1 3.45Å; E542-R617 IonicContact OE1-NH2 2.68Å; E542-R617 PolarHBondContact OE1-NH2 2.98Å; E542-R617 IonicContact OE2-CZ 2.89Å; E542-R617 IonicContact OE2-NH1 3.74Å; E542-R617 IonicContact OE2-NH2 3.9Å; E542-R617 PolarHBondContact OE2-NH2 2.96Å; K552-R617 PolarHBondContact NZ-O 3Å; K552-R617 PolarHBondContact O-NH1 2.92Å; I555-R617 HydrophobicContact CB-CB 4.37Å; I555-R617 HydrophobicContact CG2-CB 3.8Å; C609-R617 WeakPolarHBondContact O-CD 3.43Å; D611-R617 HydrophobicContact CB-CG 4.21Å; D611-R617 PolarHBondContact O-NE 3.46Å; D611-R617 PolarHBondContact O-NH2 2.96Å; P614-R617 WeakPolarHBondContact O-CB 3.4Å; P614-R617 PolarHBondContact O-N 3.27Å
618	P	97	Very high	96.8	Very high	14 Å²	14	41.8 Å²	41.8	9%	0.091	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-66.2	148.9	178	29	-35.7	0	0	0	111.3	I555 L623 W626	I555-P618 WeakPolarHBondContact CD1-O 3.45Å; P618-L623 HydrophobicContact CB-CD2 4.33Å; P618-L623 HydrophobicContact CB-CG 4.16Å; P618-L623 HydrophobicContact CG-CD1 4.14Å; P618-L623 HydrophobicContact CG-CD2 3.69Å; P618-L623 HydrophobicContact CG-CG 3.86Å; P618-W626 HydrophobicContact CB-CE3 4.38Å; P618-W626 HydrophobicContact CB-CH2 4.29Å; P618-W626 HydrophobicContact CB-CZ3 3.61Å; P618-W626 HydrophobicContact CG-CZ3 4.01Å
619	S	97.6	Very high	96.8	Very high	58 Å²	58	41.7 Å²	41.7	41%	0.406	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-70.1	154.9	174.5	60.7	0	0	0	0	111.2	Q621 K622 L623	S619-Q621 VanDerWaalsContact C-N 3.26Å; S619-Q621 PolarHBondContact O-N 3.21Å; S619-K622 WeakPolarHBondContact O-CB 3.43Å; S619-K622 PolarHBondContact O-N 3.47Å; S619-K622 PolarHBondContact OG-N 2.93Å; S619-L623 WeakPolarHBondContact O-CG 3.32Å; S619-L623 PolarHBondContact O-N 3.24Å
620	F	98.2	Very high	96.7	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.009	23%	0.225	C	C	.	.	H	α-helix	trans	-59.7	-34.6	175.7	-80.5	-66.5	0	0	0	113.6	A462 M465 A466 H469 L478 D554 I555 F558 K622 L623 E624	A462-F620 HydrophobicContact CB-CD1 4.26Å; M465-F620 HydrophobicContact CB-CB 4.34Å; M465-F620 HydrophobicContact CB-CD1 3.6Å; M465-F620 HydrophobicContact CB-CD2 3.58Å; M465-F620 HydrophobicContact CB-CE1 3.61Å; M465-F620 HydrophobicContact CB-CE2 3.59Å; M465-F620 HydrophobicContact CB-CG 3.58Å; M465-F620 HydrophobicContact CB-CZ 3.6Å; M465-F620 HydrophobicContact CE-CE2 3.93Å; M465-F620 HydrophobicContact CE-CZ 4.2Å; M465-F620 HydrophobicContact CG-CD1 4.43Å; M465-F620 HydrophobicContact CG-CE1 3.96Å; M465-F620 HydrophobicContact CG-CE2 4.14Å; M465-F620 HydrophobicContact CG-CZ 3.8Å; A466-F620 HydrophobicContact CB-CB 3.81Å; H469-F620 AromaticContact CE1-CD2 3.34Å; H469-F620 WeakPolarHBondContact CE1-CD2 3.46Å; H469-F620 AromaticContact CE1-CE2 3.41Å; H469-F620 VanDerWaalsContact CE1-CE2 3.41Å; H469-F620 WeakPolarHBondContact CE1-CE2 3.48Å; H469-F620 AromaticContact ND1-CD2 3.49Å; H469-F620 WeakPolarHBondContact ND1-CD2 3.38Å; H469-F620 AromaticContact NE2-CD2 3.97Å; H469-F620 AromaticContact NE2-CE2 3.83Å; L478-F620 HydrophobicContact CD2-CZ 4.23Å; D554-F620 HydrophobicContact CB-CE2 3.78Å; D554-F620 HydrophobicContact CB-CZ 4.19Å; I555-F620 HydrophobicContact CB-CE2 4.5Å; I555-F620 HydrophobicContact CD1-CD2 4.46Å; I555-F620 HydrophobicContact CG1-CD2 3.79Å; I555-F620 HydrophobicContact CG1-CE1 4.46Å; I555-F620 HydrophobicContact CG1-CE2 3.52Å; I555-F620 HydrophobicContact CG1-CG 4.36Å; I555-F620 HydrophobicContact CG1-CZ 3.9Å; F558-F620 HydrophobicContact CB-CE1 3.73Å; F558-F620 HydrophobicContact CB-CZ 3.82Å; F558-F620 HydrophobicContact CD1-CD1 4.49Å; F558-F620 AromaticContact CD1-CE1 3.76Å; F558-F620 HydrophobicContact CD1-CE1 3.76Å; F558-F620 HydrophobicContact CD2-CE1 4.25Å; F558-F620 HydrophobicContact CE1-CE1 4.41Å; F558-F620 AromaticContact CG-CE1 3.65Å; F558-F620 HydrophobicContact CG-CE1 3.65Å; F558-F620 HydrophobicContact CG-CZ 4.26Å; F620-K622 VanDerWaalsContact C-N 3.3Å; F620-K622 PolarHBondContact O-N 2.92Å; F620-L623 HydrophobicContact CD1-CD1 3.99Å; F620-L623 HydrophobicContact CE1-CD1 4.37Å; F620-L623 PolarHBondContact O-N 3.05Å; F620-E624 WeakPolarHBondContact O-CB 3.33Å; F620-E624 PolarHBondContact O-N 2.74Å
621	Q	96.9	Very high	96.6	Very high	101 Å²	101	41.9 Å²	41.9	47%	0.472	23%	0.225	S	C	.	.	H	α-helix	trans	-59	-44.3	173.3	-170.5	62.4	64.4	0	0	111.4	S619 E624 D625	S619-Q621 VanDerWaalsContact C-N 3.26Å; S619-Q621 PolarHBondContact O-N 3.21Å; Q621-E624 PolarHBondContact NE2-OE2 3.28Å; Q621-E624 PolarHBondContact O-N 3.32Å; Q621-D625 VanDerWaalsContact O-CG 3.27Å; Q621-D625 PolarHBondContact O-N 3.03Å
622	K	96.7	Very high	96.4	Very high	72 Å²	72	42.1 Å²	42.1	31%	0.313	23%	0.227	S	C	.	.	H	α-helix	trans	-68	-38.5	178.3	-164.6	177.6	-164.7	-167.3	0	111.7	S619 F620 D625 W626 E643	S619-K622 WeakPolarHBondContact O-CB 3.43Å; S619-K622 PolarHBondContact O-N 3.47Å; S619-K622 PolarHBondContact OG-N 2.93Å; F620-K622 VanDerWaalsContact C-N 3.3Å; F620-K622 PolarHBondContact O-N 2.92Å; K622-D625 PolarHBondContact O-N 3.03Å; K622-W626 HydrophobicContact CD-CH2 3.79Å; K622-W626 HydrophobicContact CD-CZ2 3.72Å; K622-W626 HydrophobicContact CD-CZ3 4.2Å; K622-W626 HydrophobicContact CG-CD2 4.04Å; K622-W626 HydrophobicContact CG-CE3 4.2Å; K622-W626 HydrophobicContact CG-CH2 4.31Å; K622-W626 HydrophobicContact CG-CZ2 4.1Å; K622-W626 HydrophobicContact CG-CZ3 4.34Å; K622-W626 WeakPolarHBondContact O-CB 3.34Å; K622-W626 VanDerWaalsContact O-CG 3.3Å; K622-W626 PolarHBondContact O-N 3.32Å; K622-E643 WeakPolarHBondContact CE-OE2 3.37Å; K622-E643 IonicContact NZ-OE2 2.69Å; K622-E643 PolarHBondContact NZ-OE2 3.39Å
623	L	97.9	Very high	96.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.7	-42.1	175.8	-74.1	166.3	0	0	0	111.8	A462 I555 F558 L605 P618 S619 F620 W626 F627	A462-L623 HydrophobicContact CB-CB 4.22Å; I555-L623 HydrophobicContact CG2-CD1 4.18Å; F558-L623 HydrophobicContact CD1-CD1 3.97Å; F558-L623 HydrophobicContact CE1-CD1 4.01Å; L605-L623 HydrophobicContact CD2-CD2 4.13Å; P618-L623 HydrophobicContact CB-CD2 4.33Å; P618-L623 HydrophobicContact CB-CG 4.16Å; P618-L623 HydrophobicContact CG-CD1 4.14Å; P618-L623 HydrophobicContact CG-CD2 3.69Å; P618-L623 HydrophobicContact CG-CG 3.86Å; S619-L623 WeakPolarHBondContact O-CG 3.32Å; S619-L623 PolarHBondContact O-N 3.24Å; F620-L623 HydrophobicContact CD1-CD1 3.99Å; F620-L623 HydrophobicContact CE1-CD1 4.37Å; F620-L623 PolarHBondContact O-N 3.05Å; L623-W626 HydrophobicContact CD2-CE3 4.23Å; L623-W626 PolarHBondContact O-N 3.43Å; L623-F627 HydrophobicContact CB-CD2 4.39Å; L623-F627 HydrophobicContact CB-CE2 4.01Å; L623-F627 HydrophobicContact CD2-CE2 4.18Å; L623-F627 HydrophobicContact CD2-CZ 4.37Å; L623-F627 WeakPolarHBondContact O-CD2 3.42Å; L623-F627 WeakPolarHBondContact O-CG 3.3Å; L623-F627 PolarHBondContact O-N 3.06Å
624	E	97.3	Very high	96.3	Very high	39 Å²	39	41.6 Å²	41.6	18%	0.182	22%	0.215	C	C	.	.	H	α-helix	trans	-57.4	-49.9	174.8	-179	179.9	-155.5	0	0	111.1	A462 S463 F620 Q621 W626 F627 D628	A462-E624 HydrophobicContact CB-CB 4.39Å; S463-E624 WeakPolarHBondContact CB-OE1 3.39Å; S463-E624 PolarHBondContact OG-OE1 2.91Å; F620-E624 WeakPolarHBondContact O-CB 3.33Å; F620-E624 PolarHBondContact O-N 2.74Å; Q621-E624 PolarHBondContact NE2-OE2 3.28Å; Q621-E624 PolarHBondContact O-N 3.32Å; E624-W626 VanDerWaalsContact C-N 3.3Å; E624-W626 PolarHBondContact O-N 3.3Å; E624-F627 PolarHBondContact O-N 3.41Å; E624-D628 WeakPolarHBondContact O-CB 3.36Å; E624-D628 PolarHBondContact O-N 3.42Å
625	D	96.4	Very high	96.2	Very high	90 Å²	90	46.5 Å²	46.5	48%	0.481	24%	0.237	S	C	.	.	H	α-helix	trans	-59.9	-40.6	177.4	-60.2	-23.3	0	0	0	111.7	Q621 K622 D628 A629	Q621-D625 VanDerWaalsContact O-CG 3.27Å; Q621-D625 PolarHBondContact O-N 3.03Å; K622-D625 PolarHBondContact O-N 3.03Å; D625-D628 PolarHBondContact O-N 2.77Å; D625-A629 PolarHBondContact O-N 2.74Å
626	W	97.3	Very high	96.1	Very high	27 Å²	27	49 Å²	49	10%	0.102	25%	0.249	C	C	.	.	H	α-helix	trans	-70	-39.4	179.1	-77.8	-16.7	0	0	0	113.6	L605 P618 K622 L623 E624 D628 A629 L630 E643 L644	L605-W626 HydrophobicContact CD1-CB 4.44Å; L605-W626 HydrophobicContact CD2-CB 4.36Å; L605-W626 HydrophobicContact CD2-CD2 4.01Å; L605-W626 HydrophobicContact CD2-CE3 3.25Å; L605-W626 HydrophobicContact CD2-CZ3 3.69Å; P618-W626 HydrophobicContact CB-CE3 4.38Å; P618-W626 HydrophobicContact CB-CH2 4.29Å; P618-W626 HydrophobicContact CB-CZ3 3.61Å; P618-W626 HydrophobicContact CG-CZ3 4.01Å; K622-W626 HydrophobicContact CD-CH2 3.79Å; K622-W626 HydrophobicContact CD-CZ2 3.72Å; K622-W626 HydrophobicContact CD-CZ3 4.2Å; K622-W626 HydrophobicContact CG-CD2 4.04Å; K622-W626 HydrophobicContact CG-CE3 4.2Å; K622-W626 HydrophobicContact CG-CH2 4.31Å; K622-W626 HydrophobicContact CG-CZ2 4.1Å; K622-W626 HydrophobicContact CG-CZ3 4.34Å; K622-W626 WeakPolarHBondContact O-CB 3.34Å; K622-W626 VanDerWaalsContact O-CG 3.3Å; K622-W626 PolarHBondContact O-N 3.32Å; L623-W626 HydrophobicContact CD2-CE3 4.23Å; L623-W626 PolarHBondContact O-N 3.43Å; E624-W626 VanDerWaalsContact C-N 3.3Å; E624-W626 PolarHBondContact O-N 3.3Å; W626-D628 VanDerWaalsContact C-N 3.35Å; W626-A629 PolarHBondContact O-N 2.96Å; W626-L630 WeakPolarHBondContact O-CB 3.16Å; W626-L630 PolarHBondContact O-N 2.76Å; W626-E643 HydrophobicContact CZ2-CB 4.21Å; W626-L644 HydrophobicContact CB-CD1 3.83Å; W626-L644 HydrophobicContact CB-CD2 4.1Å; W626-L644 HydrophobicContact CB-CG 4.29Å; W626-L644 VanDerWaalsContact CD1-CD1 3.42Å; W626-L644 HydrophobicContact CD2-CD2 4.13Å; W626-L644 HydrophobicContact CD2-CG 4.2Å; W626-L644 HydrophobicContact CG-CD1 3.69Å; W626-L644 HydrophobicContact CG-CD2 3.94Å; W626-L644 HydrophobicContact CG-CG 3.82Å
627	F	97.5	Very high	95.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-72	-30.8	173.8	-66	-56.2	0	0	0	112.2	V455 A458 K459 A462 F558 L562 F602 L605 L623 E624 L630 S631	V455-F627 HydrophobicContact CG1-CB 4.42Å; A458-F627 HydrophobicContact CB-CD1 4Å; A458-F627 HydrophobicContact CB-CD2 4.21Å; A458-F627 HydrophobicContact CB-CE1 3.88Å; A458-F627 HydrophobicContact CB-CE2 4.1Å; A458-F627 HydrophobicContact CB-CG 4.18Å; A458-F627 HydrophobicContact CB-CZ 3.94Å; K459-F627 HydrophobicContact CB-CB 3.74Å; K459-F627 HydrophobicContact CG-CB 4.28Å; A462-F627 HydrophobicContact CB-CD2 4Å; A462-F627 HydrophobicContact CB-CE2 4.17Å; F558-F627 AromaticContact CE1-CE2 3.55Å; F558-F627 HydrophobicContact CE1-CE2 3.55Å; F558-F627 AromaticContact CE1-CZ 3.87Å; F558-F627 HydrophobicContact CE1-CZ 3.87Å; F558-F627 HydrophobicContact CZ-CD2 4.48Å; F558-F627 AromaticContact CZ-CE2 3.51Å; F558-F627 HydrophobicContact CZ-CE2 3.51Å; F558-F627 AromaticContact CZ-CZ 3.92Å; F558-F627 HydrophobicContact CZ-CZ 3.92Å; L562-F627 HydrophobicContact CD1-CZ 3.93Å; L562-F627 HydrophobicContact CD2-CE1 4.37Å; L562-F627 HydrophobicContact CD2-CZ 3.93Å; F602-F627 HydrophobicContact CD2-CD1 4.29Å; F602-F627 AromaticContact CD2-CE1 3.8Å; F602-F627 HydrophobicContact CD2-CE1 3.8Å; F602-F627 HydrophobicContact CE2-CD1 4.13Å; F602-F627 AromaticContact CE2-CE1 3.63Å; F602-F627 HydrophobicContact CE2-CE1 3.63Å; L605-F627 HydrophobicContact CB-CE1 4.38Å; L605-F627 HydrophobicContact CB-CZ 4.47Å; L605-F627 HydrophobicContact CD1-CD1 3.99Å; L605-F627 HydrophobicContact CD1-CE1 3.57Å; L605-F627 HydrophobicContact CD1-CZ 4.19Å; L623-F627 HydrophobicContact CB-CD2 4.39Å; L623-F627 HydrophobicContact CB-CE2 4.01Å; L623-F627 HydrophobicContact CD2-CE2 4.18Å; L623-F627 HydrophobicContact CD2-CZ 4.37Å; L623-F627 WeakPolarHBondContact O-CD2 3.42Å; L623-F627 WeakPolarHBondContact O-CG 3.3Å; L623-F627 PolarHBondContact O-N 3.06Å; E624-F627 PolarHBondContact O-N 3.41Å; F627-L630 PolarHBondContact O-N 2.74Å; F627-S631 WeakPolarHBondContact O-CB 3.38Å; F627-S631 PolarHBondContact O-N 3.14Å
628	D	95.6	Very high	95.7	Very high	65 Å²	65	50.2 Å²	50.2	35%	0.348	27%	0.268	S	S	.	.	H	α-helix	trans	-62.7	-47.9	171.3	-167.8	48.3	0	0	0	111	K459 E624 D625 W626 L630 S631 L632	K459-D628 HydrophobicContact CD-CB 4.4Å; K459-D628 WeakPolarHBondContact CE-OD1 3.46Å; K459-D628 IonicContact NZ-OD1 2.91Å; K459-D628 PolarHBondContact NZ-OD1 3.04Å; E624-D628 WeakPolarHBondContact O-CB 3.36Å; E624-D628 PolarHBondContact O-N 3.42Å; D625-D628 PolarHBondContact O-N 2.77Å; W626-D628 VanDerWaalsContact C-N 3.35Å; D628-L630 VanDerWaalsContact C-N 3.31Å; D628-L630 PolarHBondContact O-N 3.41Å; D628-S631 WeakPolarHBondContact O-CB 3.43Å; D628-S631 PolarHBondContact O-N 3.31Å; D628-L632 WeakPolarHBondContact O-CG 3.21Å; D628-L632 PolarHBondContact O-N 2.91Å
629	A	95.8	Very high	95.4	Very high	18 Å²	18	54.9 Å²	54.9	15%	0.149	30%	0.298	C	S	.	.	H	α-helix	trans	-59.3	-40.7	173.9	0	0	0	0	0	112.5	D625 W626 L632 Y633 P641 L644	D625-A629 PolarHBondContact O-N 2.74Å; W626-A629 PolarHBondContact O-N 2.96Å; A629-L632 PolarHBondContact O-N 3.28Å; A629-Y633 PolarHBondContact O-N 3.47Å; A629-P641 HydrophobicContact CB-CG 3.85Å; A629-L644 HydrophobicContact CB-CD1 4.4Å
630	L	95.6	Very high	95.2	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-67.5	-37.1	176.7	-173.3	62.9	0	0	0	112.4	V455 P599 P600 F602 W626 F627 D628 Y633 L634 L640	V455-L630 HydrophobicContact CG1-CB 4.1Å; V455-L630 HydrophobicContact CG1-CD2 4.02Å; V455-L630 HydrophobicContact CG1-CG 4.05Å; V455-L630 HydrophobicContact CG2-CD2 3.66Å; V455-L630 HydrophobicContact CG2-CG 4.1Å; P599-L630 HydrophobicContact CB-CD1 4.24Å; P600-L630 WeakPolarHBondContact O-CD1 3.04Å; F602-L630 HydrophobicContact CB-CD2 3.8Å; F602-L630 HydrophobicContact CD2-CD2 3.77Å; F602-L630 HydrophobicContact CG-CD2 4Å; W626-L630 WeakPolarHBondContact O-CB 3.16Å; W626-L630 PolarHBondContact O-N 2.76Å; F627-L630 PolarHBondContact O-N 2.74Å; D628-L630 VanDerWaalsContact C-N 3.31Å; D628-L630 PolarHBondContact O-N 3.41Å; L630-Y633 HydrophobicContact CD1-CD1 4.24Å; L630-Y633 PolarHBondContact O-N 3.43Å; L630-L634 WeakPolarHBondContact O-CG 3.47Å; L630-L634 PolarHBondContact O-N 2.73Å; L630-L640 HydrophobicContact CD1-CD2 4.01Å
631	S	95.6	Very high	94.9	Very high	10 Å²	10	55.2 Å²	55.2	7%	0.07	30%	0.298	C	S	.	.	H	α-helix	trans	-62.1	-46.5	173.6	-154.6	0	0	0	0	110.6	F627 D628 Y633 L634 E635	F627-S631 WeakPolarHBondContact O-CB 3.38Å; F627-S631 PolarHBondContact O-N 3.14Å; D628-S631 WeakPolarHBondContact O-CB 3.43Å; D628-S631 PolarHBondContact O-N 3.31Å; S631-Y633 VanDerWaalsContact C-N 3.33Å; S631-Y633 PolarHBondContact O-N 3.2Å; S631-L634 PolarHBondContact O-N 3.27Å; S631-E635 WeakPolarHBondContact O-CB 3.47Å; S631-E635 WeakPolarHBondContact O-CG 3.39Å; S631-E635 PolarHBondContact O-N 2.87Å; S631-E635 PolarHBondContact OG-OE1 2.93Å; S631-E635 VanDerWaalsContact OG-OE1 3.08Å
632	L	94.8	Very high	94.6	Very high	59 Å²	59	54.1 Å²	54.1	31%	0.309	31%	0.306	S	S	.	.	H	α-helix	trans	-63.2	-37	176.7	-70.6	174	0	0	0	112.7	D628 A629 L636 G637 I638	D628-L632 WeakPolarHBondContact O-CG 3.21Å; D628-L632 PolarHBondContact O-N 2.91Å; A629-L632 PolarHBondContact O-N 3.28Å; L632-L636 HydrophobicContact CD2-CD1 4.08Å; L632-L636 WeakPolarHBondContact O-CA 3.4Å; L632-L636 WeakPolarHBondContact O-CB 3.47Å; L632-L636 PolarHBondContact O-N 3.48Å; L632-G637 PolarHBondContact O-N 3.18Å; L632-I638 HydrophobicContact CB-CB 4.46Å; L632-I638 HydrophobicContact CB-CD1 4.23Å
633	Y	94.6	Very high	94.3	Very high	85 Å²	85	55.5 Å²	55.5	33%	0.333	31%	0.314	S	S	.	.	H	α-helix	trans	-61.4	-45.9	172.1	170.8	-99.6	0	0	0	111.5	P600 A629 L630 S631 G637 I638 L640	P600-Y633 HydrophobicContact CG-CD1 4.39Å; P600-Y633 HydrophobicContact CG-CE1 3.56Å; A629-Y633 PolarHBondContact O-N 3.47Å; L630-Y633 HydrophobicContact CD1-CD1 4.24Å; L630-Y633 PolarHBondContact O-N 3.43Å; S631-Y633 VanDerWaalsContact C-N 3.33Å; S631-Y633 PolarHBondContact O-N 3.2Å; Y633-G637 WeakPolarHBondContact O-CA 3.48Å; Y633-G637 PolarHBondContact O-N 3.3Å; Y633-I638 WeakPolarHBondContact CA-O 3.48Å; Y633-I638 WeakPolarHBondContact CB-O 3.15Å; Y633-I638 VanDerWaalsContact CD2-O 3.32Å; Y633-I638 WeakPolarHBondContact CD2-O 3.29Å; Y633-L640 HydrophobicContact CD2-CG 4.24Å; Y633-L640 HydrophobicContact CG-CD2 4.04Å; Y633-L640 HydrophobicContact CG-CG 4.19Å
634	L	93.8	Very high	93.9	Very high	41 Å²	41	55.5 Å²	55.5	22%	0.215	31%	0.314	C	S	.	.	H	α-helix	trans	-71.1	-31.2	-179	-70.2	175.9	0	0	0	113.9	W451 Q452 V455 P599 L630 S631	W451-L634 HydrophobicContact CB-CD1 4.42Å; Q452-L634 HydrophobicContact CG-CB 4.16Å; V455-L634 HydrophobicContact CB-CD1 4.3Å; V455-L634 HydrophobicContact CG2-CD1 3.78Å; P599-L634 HydrophobicContact CB-CD1 4.36Å; P599-L634 HydrophobicContact CB-CD2 4.01Å; P599-L634 HydrophobicContact CG-CD1 3.95Å; P599-L634 HydrophobicContact CG-CD2 3.91Å; L630-L634 WeakPolarHBondContact O-CG 3.47Å; L630-L634 PolarHBondContact O-N 2.73Å; S631-L634 PolarHBondContact O-N 3.27Å
635	E	92.9	Very high	93.5	Very high	123 Å²	123	56.6 Å²	56.6	58%	0.575	32%	0.321	S	S	*	.	H	α-helix	trans	-88.7	-40.5	-178	-71.8	172.6	-153.4	0	0	113	S631	S631-E635 WeakPolarHBondContact O-CB 3.47Å; S631-E635 WeakPolarHBondContact O-CG 3.39Å; S631-E635 PolarHBondContact O-N 2.87Å; S631-E635 PolarHBondContact OG-OE1 2.93Å; S631-E635 VanDerWaalsContact OG-OE1 3.08Å
636	L	93.3	Very high	93.2	Very high	121 Å²	121	57.9 Å²	57.9	63%	0.634	32%	0.324	S	S	*	.	H	α-helix	trans	-123	-4.9	-168.1	-58.6	177.4	0	0	0	113.5	L632 I638	L632-L636 HydrophobicContact CD2-CD1 4.08Å; L632-L636 WeakPolarHBondContact O-CA 3.4Å; L632-L636 WeakPolarHBondContact O-CB 3.47Å; L632-L636 PolarHBondContact O-N 3.48Å; L636-I638 HydrophobicContact CB-CD1 4.1Å; L636-I638 HydrophobicContact CB-CG1 3.93Å; L636-I638 HydrophobicContact CD1-CD1 3.95Å; L636-I638 PolarHBondContact O-N 3.39Å
637	G	91.8	Very high	92.7	Very high	51 Å²	51	58.6 Å²	58.6	53%	0.526	33%	0.33	S	S	.	.			trans	69.4	20.6	-176.8	0	0	0	0	0	113.9	L632 Y633	L632-G637 PolarHBondContact O-N 3.18Å; Y633-G637 WeakPolarHBondContact O-CA 3.48Å; Y633-G637 PolarHBondContact O-N 3.3Å
638	I	92.6	Very high	92.3	Very high	78 Å²	78	60.4 Å²	60.4	40%	0.4	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-67.5	128.5	178.5	-65	177.2	0	0	0	109.2	L632 Y633 L636	L632-I638 HydrophobicContact CB-CB 4.46Å; L632-I638 HydrophobicContact CB-CD1 4.23Å; Y633-I638 WeakPolarHBondContact CA-O 3.48Å; Y633-I638 WeakPolarHBondContact CB-O 3.15Å; Y633-I638 VanDerWaalsContact CD2-O 3.32Å; Y633-I638 WeakPolarHBondContact CD2-O 3.29Å; L636-I638 HydrophobicContact CB-CD1 4.1Å; L636-I638 HydrophobicContact CB-CG1 3.93Å; L636-I638 HydrophobicContact CD1-CD1 3.95Å; L636-I638 PolarHBondContact O-N 3.39Å
639	P	91.6	Very high	91.9	Very high	111 Å²	111	62.5 Å²	62.5	72%	0.721	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-55.4	142.5	-179.1	-25.9	34	0	0	0	113.3
640	L	92	Very high	91.5	Very high	15 Å²	15	65.7 Å²	65.7	8%	0.079	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-67.9	149.5	177.3	-66.4	175.1	0	0	0	110.9	P600 A601 L630 Y633 L644	P600-L640 HydrophobicContact CB-CD1 4.41Å; P600-L640 HydrophobicContact CG-CD1 4.23Å; A601-L640 HydrophobicContact CB-CD1 4.15Å; L630-L640 HydrophobicContact CD1-CD2 4.01Å; Y633-L640 HydrophobicContact CD2-CG 4.24Å; Y633-L640 HydrophobicContact CG-CD2 4.04Å; Y633-L640 HydrophobicContact CG-CG 4.19Å; L640-L644 HydrophobicContact CB-CB 4.37Å
641	P	93.1	Very high	90.9	Very high	52 Å²	52	67 Å²	67	34%	0.338	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-55.7	143.2	169.1	-25.4	32.7	0	0	0	112	A629 E643 L644 D645	A629-P641 HydrophobicContact CB-CG 3.85Å; P641-E643 PolarHBondContact O-N 2.92Å; P641-L644 HydrophobicContact CB-CD1 4.45Å; P641-L644 HydrophobicContact CG-CD1 4.04Å; P641-L644 WeakPolarHBondContact O-CB 3.42Å; P641-L644 PolarHBondContact O-N 3.13Å; P641-D645 PolarHBondContact O-N 2.9Å; P641-D645 VanDerWaalsContact O-N 3.13Å
642	A	91	Very high	90.3	Very high	79 Å²	79	68.7 Å²	68.7	65%	0.653	38%	0.38	S	S	*	.	H	α-helix	trans	-53.1	-34.8	-177.5	0	0	0	0	0	113.8	L644 D645 E646	A642-L644 VanDerWaalsContact C-N 3.35Å; A642-L644 PolarHBondContact O-N 3.38Å; A642-D645 PolarHBondContact O-N 3.05Å; A642-E646 WeakPolarHBondContact O-CB 3.2Å; A642-E646 PolarHBondContact O-N 3.15Å
643	E	90.4	Very high	89.8	Confident	100 Å²	100	72.2 Å²	72.2	47%	0.467	40%	0.395	S	S	.	.	H	α-helix	trans	-64.8	-36.2	177.5	-57.1	-179.3	177	0	0	113	K622 W626 P641 L647	K622-E643 WeakPolarHBondContact CE-OE2 3.37Å; K622-E643 IonicContact NZ-OE2 2.69Å; K622-E643 PolarHBondContact NZ-OE2 3.39Å; W626-E643 HydrophobicContact CZ2-CB 4.21Å; P641-E643 PolarHBondContact O-N 2.92Å; E643-L647 WeakPolarHBondContact O-CB 3.05Å; E643-L647 PolarHBondContact O-N 3.09Å; E643-L647 VanDerWaalsContact O-N 3.07Å
644	L	89.1	Confident	89.1	Confident	1 Å²	1	74.3 Å²	74.3	1%	0.005	41%	0.411	C	S	.	.	H	α-helix	trans	-74.3	-39.9	176.6	-85.3	162	0	0	0	111	A601 L605 W626 A629 L640 P641 A642 L647 N648	A601-L644 HydrophobicContact CB-CB 4.29Å; A601-L644 HydrophobicContact CB-CD2 3.84Å; L605-L644 HydrophobicContact CD1-CD2 3.82Å; L605-L644 HydrophobicContact CD2-CD2 3.78Å; L605-L644 HydrophobicContact CG-CD2 3.88Å; W626-L644 HydrophobicContact CB-CD1 3.83Å; W626-L644 HydrophobicContact CB-CD2 4.1Å; W626-L644 HydrophobicContact CB-CG 4.29Å; W626-L644 VanDerWaalsContact CD1-CD1 3.42Å; W626-L644 HydrophobicContact CD2-CD2 4.13Å; W626-L644 HydrophobicContact CD2-CG 4.2Å; W626-L644 HydrophobicContact CG-CD1 3.69Å; W626-L644 HydrophobicContact CG-CD2 3.94Å; W626-L644 HydrophobicContact CG-CG 3.82Å; A629-L644 HydrophobicContact CB-CD1 4.4Å; L640-L644 HydrophobicContact CB-CB 4.37Å; P641-L644 HydrophobicContact CB-CD1 4.45Å; P641-L644 HydrophobicContact CG-CD1 4.04Å; P641-L644 WeakPolarHBondContact O-CB 3.42Å; P641-L644 PolarHBondContact O-N 3.13Å; A642-L644 VanDerWaalsContact C-N 3.35Å; A642-L644 PolarHBondContact O-N 3.38Å; L644-L647 PolarHBondContact O-N 3.48Å; L644-N648 WeakPolarHBondContact O-CB 3.34Å; L644-N648 PolarHBondContact O-N 2.72Å
645	D	88.2	Confident	88.3	Confident	61 Å²	61	76.8 Å²	76.8	33%	0.326	42%	0.419	S	S	.	.	H	α-helix	trans	-62.3	-44	174.3	-81.9	-23.6	0	0	0	111.4	P641 A642 N648 Q649	P641-D645 PolarHBondContact O-N 2.9Å; P641-D645 VanDerWaalsContact O-N 3.13Å; A642-D645 PolarHBondContact O-N 3.05Å; D645-N648 PolarHBondContact O-N 2.86Å; D645-Q649 WeakPolarHBondContact O-CB 3.34Å; D645-Q649 VanDerWaalsContact O-CG 3.24Å; D645-Q649 WeakPolarHBondContact O-CG 3.47Å; D645-Q649 PolarHBondContact O-N 3.12Å
646	E	90.2	Very high	87.4	Confident	118 Å²	118	80.5 Å²	80.5	55%	0.551	43%	0.427	S	S	*	.	H	α-helix	trans	-62.4	-45	175.8	-172.3	-177.9	176.7	0	0	111.3	A642 N648 Q649 N650	A642-E646 WeakPolarHBondContact O-CB 3.2Å; A642-E646 PolarHBondContact O-N 3.15Å; E646-N648 VanDerWaalsContact C-N 3.3Å; E646-N648 PolarHBondContact O-N 2.92Å; E646-Q649 PolarHBondContact O-N 2.97Å; E646-N650 WeakPolarHBondContact O-CB 3.24Å; E646-N650 VanDerWaalsContact O-CG 3.23Å; E646-N650 PolarHBondContact O-N 3.25Å; E646-N650 PolarHBondContact O-ND2 2.69Å
647	L	87.9	Confident	86	Confident	42 Å²	42	79 Å²	79	22%	0.22	43%	0.425	C	S	.	.	H	α-helix	trans	-58.4	-43.8	175.6	-175.3	68	0	0	0	111.5	P604 L605 A608 E643 L644 L651	P604-L647 HydrophobicContact CB-CD2 4.08Å; P604-L647 HydrophobicContact CB-CG 3.87Å; L605-L647 HydrophobicContact CD2-CD2 4.04Å; L605-L647 HydrophobicContact CG-CD2 4.39Å; A608-L647 HydrophobicContact CB-CD1 4.37Å; A608-L647 HydrophobicContact CB-CD2 4.29Å; E643-L647 WeakPolarHBondContact O-CB 3.05Å; E643-L647 PolarHBondContact O-N 3.09Å; E643-L647 VanDerWaalsContact O-N 3.07Å; L644-L647 PolarHBondContact O-N 3.48Å; L647-L651 PolarHBondContact O-N 3.42Å
648	N	87.9	Confident	84.1	Confident	37 Å²	37	85.9 Å²	85.9	20%	0.198	44%	0.44	C	S	.	.	H	α-helix	trans	-66	-42.8	177.9	-173	65.6	0	0	0	112.2	A601 P604 L644 D645 E646 L651 S652	A601-N648 HydrophobicContact CB-CB 4.16Å; A601-N648 PolarHBondContact N-OD1 2.91Å; P604-N648 HydrophobicContact CG-CB 4.41Å; L644-N648 WeakPolarHBondContact O-CB 3.34Å; L644-N648 PolarHBondContact O-N 2.72Å; D645-N648 PolarHBondContact O-N 2.86Å; E646-N648 VanDerWaalsContact C-N 3.3Å; E646-N648 PolarHBondContact O-N 2.92Å; N648-L651 PolarHBondContact O-N 2.87Å; N648-S652 VanDerWaalsContact O-CB 3.29Å; N648-S652 WeakPolarHBondContact O-CB 3.41Å; N648-S652 PolarHBondContact O-N 2.81Å; N648-S652 PolarHBondContact O-OG 2.77Å
649	Q	88.1	Confident	81.8	Confident	109 Å²	109	90.4 Å²	90.4	51%	0.509	46%	0.46	S	S	.	.	H	α-helix	trans	-64.4	-44.3	177.9	-73.8	173.8	29.4	0	0	111.9	D645 E646 L651 S652 Q653	D645-Q649 WeakPolarHBondContact O-CB 3.34Å; D645-Q649 VanDerWaalsContact O-CG 3.24Å; D645-Q649 WeakPolarHBondContact O-CG 3.47Å; D645-Q649 PolarHBondContact O-N 3.12Å; E646-Q649 PolarHBondContact O-N 2.97Å; Q649-L651 VanDerWaalsContact C-N 3.33Å; Q649-L651 PolarHBondContact O-N 2.91Å; Q649-S652 PolarHBondContact O-N 2.95Å; Q649-Q653 WeakPolarHBondContact O-CG 3.45Å; Q649-Q653 PolarHBondContact O-N 3.19Å
650	N	86.9	Confident	79.6	Confident	85 Å²	85	90.7 Å²	90.7	46%	0.455	46%	0.462	S	S	.	.	H	α-helix	trans	-60.1	-43.8	178.4	-73.6	-25.4	0	0	0	111.6	E646 L654	E646-N650 WeakPolarHBondContact O-CB 3.24Å; E646-N650 VanDerWaalsContact O-CG 3.23Å; E646-N650 PolarHBondContact O-N 3.25Å; E646-N650 PolarHBondContact O-ND2 2.69Å; N650-L654 PolarHBondContact O-N 3.17Å
651	L	83.3	Confident	77.2	Confident	28 Å²	28	96.6 Å²	96.6	15%	0.147	50%	0.498	C	S	.	.	H	α-helix	trans	-69.7	-41.1	177.9	-155.7	110	0	0	0	111.8	F603 P604 V607 L647 N648 Q649 Q653 L654 Y655	F603-L651 HydrophobicContact CD1-CD2 3.78Å; F603-L651 HydrophobicContact CE1-CD2 3.95Å; P604-L651 HydrophobicContact CB-CB 4.32Å; P604-L651 HydrophobicContact CG-CB 4.11Å; P604-L651 HydrophobicContact CG-CD2 4Å; V607-L651 HydrophobicContact CB-CD1 3.84Å; V607-L651 HydrophobicContact CG1-CD1 3.73Å; V607-L651 HydrophobicContact CG2-CD1 3.89Å; L647-L651 PolarHBondContact O-N 3.42Å; N648-L651 PolarHBondContact O-N 2.87Å; Q649-L651 VanDerWaalsContact C-N 3.33Å; Q649-L651 PolarHBondContact O-N 2.91Å; L651-Q653 VanDerWaalsContact C-N 3.35Å; L651-Q653 PolarHBondContact O-N 3.07Å; L651-L654 PolarHBondContact O-N 2.87Å; L651-Y655 HydrophobicContact CD2-CD2 4.49Å; L651-Y655 HydrophobicContact CG-CD2 4.12Å; L651-Y655 HydrophobicContact CG-CE2 4.48Å; L651-Y655 PolarHBondContact O-N 3.17Å; L651-Y655 VanDerWaalsContact O-N 3.14Å
652	S	83.5	Confident	74.6	Confident	46 Å²	46	102.7 Å²	102.7	32%	0.322	52%	0.522	S	S	.	.	H	α-helix	trans	-62.1	-41.1	177.6	-59.7	0	0	0	0	111.5	N648 Q649 L654 W656	N648-S652 VanDerWaalsContact O-CB 3.29Å; N648-S652 WeakPolarHBondContact O-CB 3.41Å; N648-S652 PolarHBondContact O-N 2.81Å; N648-S652 PolarHBondContact O-OG 2.77Å; Q649-S652 PolarHBondContact O-N 2.95Å; S652-L654 PolarHBondContact O-N 2.86Å; S652-W656 CarbonylContact O-C 3.45Å; S652-W656 WeakPolarHBondContact O-CA 3.44Å; S652-W656 WeakPolarHBondContact O-CB 3.35Å; S652-W656 PolarHBondContact O-N 2.92Å
653	Q	83.4	Confident	72.2	Confident	134 Å²	134	103.6 Å²	103.6	63%	0.626	52%	0.524	S	S	*	.	H	α-helix	trans	-62.8	-32.4	176.5	-74.3	175.4	19.7	0	0	112.9	Q649 L651	Q649-Q653 WeakPolarHBondContact O-CG 3.45Å; Q649-Q653 PolarHBondContact O-N 3.19Å; L651-Q653 VanDerWaalsContact C-N 3.35Å; L651-Q653 PolarHBondContact O-N 3.07Å
654	L	80.4	Confident	69.7	Low	128 Å²	128	104.1 Å²	104.1	67%	0.67	54%	0.538	S	S	*	.	H	α-helix	trans	-80.8	-34.7	-175.8	-151.6	76.2	0	0	0	113.1	N650 L651 S652	N650-L654 PolarHBondContact O-N 3.17Å; L651-L654 PolarHBondContact O-N 2.87Å; S652-L654 PolarHBondContact O-N 2.86Å
655	Y	76.8	Confident	67.4	Low	94 Å²	94	112.4 Å²	112.4	37%	0.369	58%	0.577	S	S	.	*	H	α-helix	trans	-121.6	-15.3	-172.5	-63.5	-77.3	0	0	0	114.9	V586 L651 P657	V586-Y655 HydrophobicContact CB-CE1 4.3Å; V586-Y655 HydrophobicContact CB-CE2 4.09Å; V586-Y655 HydrophobicContact CG1-CD2 3.95Å; V586-Y655 HydrophobicContact CG1-CE1 4.18Å; V586-Y655 HydrophobicContact CG1-CE2 3.46Å; V586-Y655 VanDerWaalsContact CG1-CE2 3.46Å; V586-Y655 HydrophobicContact CG1-CG 4.48Å; L651-Y655 HydrophobicContact CD2-CD2 4.49Å; L651-Y655 HydrophobicContact CG-CD2 4.12Å; L651-Y655 HydrophobicContact CG-CE2 4.48Å; L651-Y655 PolarHBondContact O-N 3.17Å; L651-Y655 VanDerWaalsContact O-N 3.14Å; Y655-P657 VanDerWaalsContact C-CD 3.42Å
656	W	73.7	Confident	64.9	Low	200 Å²	200	117.8 Å²	117.8	76%	0.758	60%	0.6	S	S	*	*	S	Bend	trans	-131.7	57.4	174.6	-162.6	-91.9	0	0	0	110.8	S652 K658	S652-W656 CarbonylContact O-C 3.45Å; S652-W656 WeakPolarHBondContact O-CA 3.44Å; S652-W656 WeakPolarHBondContact O-CB 3.35Å; S652-W656 PolarHBondContact O-N 2.92Å; W656-K658 PolarHBondContact O-N 3.27Å; W656-K658 VanDerWaalsContact O-N 3.09Å
657	P	63.3	Low	62.4	Low	91 Å²	91	118 Å²	118	59%	0.591	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-58.7	122.3	176.6	25.2	-32	0	0	0	108.2	Y655 E659	Y655-P657 VanDerWaalsContact C-CD 3.42Å; P657-E659 PolarHBondContact O-N 2.83Å; P657-E659 VanDerWaalsContact O-N 3.15Å
658	K	53	Low	59.9	Low	194 Å²	194	120.8 Å²	120.8	84%	0.843	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-57.4	123.9	167.5	-68.3	-176.2	178.8	-178.8	0	106.2	W656	W656-K658 PolarHBondContact O-N 3.27Å; W656-K658 VanDerWaalsContact O-N 3.09Å
659	E	44.3	Very low	57.5	Low	174 Å²	174	125 Å²	125	81%	0.813	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-49.8	139.7	171.3	-73.3	-166.2	156.8	0	0	108.5	P657 V661	P657-E659 PolarHBondContact O-N 2.83Å; P657-E659 VanDerWaalsContact O-N 3.15Å; E659-V661 PolarHBondContact O-N 3.05Å
660	P	44.8	Very low	55.2	Low	117 Å²	117	125.7 Å²	125.7	76%	0.76	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-56.4	118.2	172.7	23.5	-29.9	0	0	0	106.6	Q662	P660-Q662 VanDerWaalsContact C-N 3.33Å; P660-Q662 PolarHBondContact O-N 3.25Å
661	V	41.7	Very low	52.7	Low	138 Å²	138	128.3 Å²	128.3	84%	0.836	70%	0.701	S	S	*	*			trans	-51.6	106.1	169.7	177.6	0	0	0	0	105.3	E659 S663	E659-V661 PolarHBondContact O-N 3.05Å; V661-S663 PolarHBondContact O-N 2.85Å
662	Q	39.5	Very low	50.7	Low	181 Å²	181	131.7 Å²	131.7	85%	0.846	73%	0.733	S	S	*	*			trans	-56.7	110.7	166.4	-80.4	-178.9	-15.1	0	0	104.8	P660 S664	P660-Q662 VanDerWaalsContact C-N 3.33Å; P660-Q662 PolarHBondContact O-N 3.25Å; Q662-S664 VanDerWaalsContact C-N 3.3Å; Q662-S664 PolarHBondContact O-N 2.83Å
663	S	39.8	Very low	48.4	Very low	98 Å²	98	133.7 Å²	133.7	69%	0.685	75%	0.753	S	S	*	*			trans	-52.8	103.3	164.8	49	0	0	0	0	106.4	V661 E665	V661-S663 PolarHBondContact O-N 2.85Å; S663-E665 PolarHBondContact O-N 3.36Å
664	S	37.6	Very low	46.5	Very low	110 Å²	110	132.4 Å²	132.4	77%	0.769	76%	0.758	S	S	*	*			trans	-62.3	88.6	157.1	51.9	0	0	0	0	105.9	Q662 E666	Q662-S664 VanDerWaalsContact C-N 3.3Å; Q662-S664 PolarHBondContact O-N 2.83Å; S664-E666 VanDerWaalsContact C-N 3.32Å; S664-E666 PolarHBondContact O-N 2.99Å
665	E	41.8	Very low	44.8	Very low	176 Å²	176	132 Å²	132	82%	0.822	76%	0.764	S	S	*	*			trans	-57	105.2	153.4	-75.2	-174.1	153.8	0	0	105.9	S663	S663-E665 PolarHBondContact O-N 3.36Å
666	E	34.7	Very low	42.7	Very low	174 Å²	174	134.8 Å²	134.8	81%	0.813	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-60.1	134.2	160.6	-76.1	-159.6	147.8	0	0	108.5	S664 A668	S664-E666 VanDerWaalsContact C-N 3.32Å; S664-E666 PolarHBondContact O-N 2.99Å; E666-A668 PolarHBondContact O-N 3.24Å
667	P	37.9	Very low	40.8	Very low	123 Å²	123	130.6 Å²	130.6	80%	0.799	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-69.9	120.5	169.8	27.6	-29.1	0	0	0	108.9	T669	P667-T669 PolarHBondContact O-N 3.26Å
668	A	36.4	Very low	39.8	Very low	99 Å²	99	132.7 Å²	132.7	82%	0.818	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-55.2	120.2	175.7	0	0	0	0	0	111.9	E666	E666-A668 PolarHBondContact O-N 3.24Å
669	T	36.2	Very low	39	Very low	125 Å²	125	129.3 Å²	129.3	77%	0.767	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-69.5	139.6	156.9	37.7	0	0	0	0	110.3	P667	P667-T669 PolarHBondContact O-N 3.26Å
670	P	40.2	Very low	38.7	Very low	125 Å²	125	129.3 Å²	129.3	81%	0.812	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-80.7	129.7	-176.7	31.2	-31.5	0	0	0	111.7
671	T	35.4	Very low	38.4	Very low	139 Å²	139	130.4 Å²	130.4	85%	0.853	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-76.4	119.9	167.6	-43.4	0	0	0	0	109.2
672	A	40.7	Very low	38.1	Very low	99 Å²	99	131.3 Å²	131.3	82%	0.818	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-69.1	128.7	165.8	0	0	0	0	0	109.6
673	A	34.6	Very low	38.5	Very low	89 Å²	89	130 Å²	130	74%	0.736	80%	0.803	S	S	*	*			trans	-104.8	116.5	177.8	0	0	0	0	0	111.4
674	S	43.9	Very low	38.8	Very low	106 Å²	106	128.1 Å²	128.1	74%	0.741	80%	0.798	S	S	*	*			trans	64.2	156	143.2	-35.9	0	0	0	0	120
675	P	45.2	Very low	38.6	Very low	121 Å²	121	133.4 Å²	133.4	79%	0.786	83%	0.826	S	S	*	*				-138.4	137.6	88.7	31.8	-14.7	0	0	0	116.4
676	D	33.1	Very low	38.5	Very low	152 Å²	152	131.3 Å²	131.3	81%	0.813	83%	0.826	S	S	*	*			trans	53.5	111.3	133.4	-61.9	-15.6	0	0	0	123.1
677	C	32.8	Very low	38.7	Very low	111 Å²	111	129.1 Å²	129.1	75%	0.75	83%	0.827	S	S	*	*			trans	-69.8	153	132.6	-86.3	0	0	0	0	109.3
678	T	43.2	Very low	38.7	Very low	136 Å²	136	129.4 Å²	129.4	83%	0.834	83%	0.829	S	S	*	*			cis	-176.1	142.4	17.5	10.9	0	0	0	0	106.6
679	S	36.4	Very low	38.9	Very low	122 Å²	122	131.2 Å²	131.2	85%	0.853	83%	0.829	S	S	*	*			trans	-126.9	130.1	163.3	57	0	0	0	0	110
680	M	37.4	Very low	39	Very low	174 Å²	174	131.6 Å²	131.6	86%	0.857	83%	0.833	S	S	*	*			trans	-77.5	175.1	177.9	-70.7	-166.1	137.2	0	0	113.8
681	T	37.6	Very low	39	Very low	140 Å²	140	132 Å²	132	86%	0.859	84%	0.835	S	S	*	*			trans	82.7	134.2	169.3	68.2	0	0	0	0	114.3
682	D	36.4	Very low	39.2	Very low	158 Å²	158	131.5 Å²	131.5	85%	0.845	83%	0.833	S	S	*	*			cis	-159	152.7	28.3	-156.4	5.9	0	0	0	110
683	D	47.3	Very low	39.1	Very low	154 Å²	154	134 Å²	134	82%	0.824	83%	0.834	S	S	*	*			trans	-120.9	146.9	-179.1	-148.3	4.1	0	0	0	107.5
684	G	46.7	Very low	39.5	Very low	57 Å²	57	137.8 Å²	137.8	59%	0.588	84%	0.843	S	S	*	*			trans	75.2	-173.6	171.6	0	0	0	0	0	115.4
685	T	33.9	Very low	39.1	Very low	222 Å²	222	140.6 Å²	140.6	100%	1.362	85%	0.852	S	S	*	*			cis	19.2	0	10.8	16.3	0	0	0	0	118.5

Retrieved 685 of 685 residues in 207.9 ms (Link to these results)

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