A0A087Y9E3_POEFO Loading...

SEFIR domain-containing protein

AlphaFold DB , UniProt , Accession A0A087Y9E3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 675 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	38.5	Very low	49.4	Very low	193 Å²	193	140.1 Å²	140.1	95%	0.951	66%	0.661	S	S	*	*				0	128.5	0	-72.6	173.3	173.9	0	0	106.7
2	E	36.9	Very low	50.8	Low	177 Å²	177	135.1 Å²	135.1	83%	0.827	64%	0.637	S	S	*	*			trans	-113.5	124.6	171.3	-66.6	178.7	139.9	0	0	108.1
3	G	37.8	Very low	51.2	Low	26 Å²	26	135.5 Å²	135.5	27%	0.268	66%	0.655	S	S	.	*			trans	-141.3	128.2	177.7	0	0	0	0	0	109.2	Y5	G3-Y5 WeakPolarHBondContact O-CE2 3.48Å; G3-Y5 PolarHBondContact O-N 3.2Å
4	N	42.9	Very low	51.7	Low	168 Å²	168	129.7 Å²	129.7	90%	0.898	64%	0.635	S	S	*	*			trans	-79.4	113.4	170.9	-93.1	-15.4	0	0	0	108.4	R6	N4-R6 PolarHBondContact O-N 3.17Å
5	Y	47.1	Very low	52	Low	196 Å²	196	124.4 Å²	124.4	77%	0.769	62%	0.615	S	S	*	*			trans	-65.5	117.6	-177.4	-55.4	-85.5	0	0	0	111	G3	G3-Y5 WeakPolarHBondContact O-CE2 3.48Å; G3-Y5 PolarHBondContact O-N 3.2Å
6	R	47.7	Very low	52.1	Low	224 Å²	224	127.6 Å²	127.6	85%	0.845	62%	0.624	S	S	*	*			trans	-139	85.9	170.6	-124.4	-176	-174.1	-167.1	1.8	109.5	N4 V8	N4-R6 PolarHBondContact O-N 3.17Å; R6-V8 PolarHBondContact O-N 2.82Å
7	E	52.8	Low	52.2	Low	143 Å²	143	126.1 Å²	126.1	67%	0.668	62%	0.618	S	S	*	*			trans	-71.1	114.7	176.2	-61.9	-174.6	173.2	0	0	109.6	F9 L39	E7-F9 HydrophobicContact CB-CE2 4.19Å; E7-L39 HydrophobicContact CB-CD1 4.44Å
8	V	57.5	Low	51.8	Low	59 Å²	59	127.4 Å²	127.4	36%	0.358	62%	0.62	S	S	.	*			trans	-121.2	97.9	178.5	-172.3	0	0	0	0	109	R6 R10	R6-V8 PolarHBondContact O-N 2.82Å; V8-R10 HydrophobicContact CG1-CG 4.09Å; V8-R10 PolarHBondContact O-N 3.43Å
9	F	58.3	Low	51.6	Low	122 Å²	122	123.4 Å²	123.4	54%	0.535	60%	0.602	S	S	.	*			trans	-73.3	118.6	175.5	-70.3	-90.2	0	0	0	110.3	E7 W37 L39	E7-F9 HydrophobicContact CB-CE2 4.19Å; F9-W37 HydrophobicContact CB-CE3 4.13Å; F9-W37 HydrophobicContact CB-CZ3 4.4Å; F9-L39 HydrophobicContact CE1-CD1 4.25Å; F9-L39 HydrophobicContact CE2-CD1 4.46Å; F9-L39 HydrophobicContact CZ-CD1 4.08Å
10	R	60.9	Low	51.3	Low	131 Å²	131	126.7 Å²	126.7	49%	0.494	62%	0.616	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.1	134.5	177.4	-68.7	176	167.9	157.4	-7	110.9	V8 K38 E40	V8-R10 HydrophobicContact CG1-CG 4.09Å; V8-R10 PolarHBondContact O-N 3.43Å; R10-K38 PolarHBondContact N-O 3.13Å; R10-K38 PolarHBondContact O-N 2.92Å; R10-E40 IonicContact CZ-OE2 3.71Å; R10-E40 IonicContact NE-OE2 3.93Å; R10-E40 IonicContact NH1-OE1 3.75Å; R10-E40 IonicContact NH1-OE2 3.84Å; R10-E40 PolarHBondContact NH1-OE2 3.4Å
11	P	63.2	Low	50.9	Low	102 Å²	102	130.7 Å²	130.7	66%	0.662	62%	0.624	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-65.3	142	171.5	28.8	-34.2	0	0	0	109.9	W37	P11-W37 HydrophobicContact CB-CZ3 4.44Å
12	H	65.6	Low	51.2	Low	80 Å²	80	127 Å²	127	37%	0.37	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.4	150.3	-175.1	-155.3	50.7	0	0	0	111.4	S14 L36 K38	H12-S14 PolarHBondContact CD2-O 3.12Å; H12-S14 PolarHBondContact NE2-O 3.35Å; H12-L36 HydrophobicContact CB-CB 4.35Å; H12-L36 PolarHBondContact N-O 3.44Å; H12-L36 WeakPolarHBondContact O-CB 3.4Å; H12-K38 HydrophobicContact CB-CB 4.26Å
13	T	56.3	Low	51.7	Low	141 Å²	141	124.7 Å²	124.7	87%	0.865	60%	0.598	S	S	*	*	S	Bend	trans	-115.4	-11.2	-166.4	52	0	0	0	0	114.8
14	S	58	Low	52.1	Low	54 Å²	54	127.2 Å²	127.2	38%	0.378	62%	0.616	S	S	.	*			trans	-153	139.5	171.6	86.7	0	0	0	0	113.2	H12 K16	H12-S14 PolarHBondContact CD2-O 3.12Å; H12-S14 PolarHBondContact NE2-O 3.35Å; S14-K16 PolarHBondContact O-N 3.14Å; S14-K16 VanDerWaalsContact O-N 3.08Å
15	C	56.8	Low	52.5	Low	50 Å²	50	122 Å²	122	34%	0.338	59%	0.588	S	S	.	*			trans	-86.9	52.5	176.4	-147.3	0	0	0	0	111.1	C28 L36	C15-C28 HydrophobicContact CB-CB 3.6Å; C15-C28 WeakPolarHBondContact CB-SG 3.3Å; C15-C28 PolarHBondContact O-SG 2.98Å; C15-C28 WeakPolarHBondContact SG-CB 3.45Å; C15-C28 CovalentContact SG-SG 2.03Å; C15-C28 PolarHBondContact SG-SG 3.48Å; C15-L36 HydrophobicContact CB-CD1 4.07Å
16	K	53.3	Low	52.9	Low	176 Å²	176	124.2 Å²	124.2	77%	0.765	59%	0.594	S	S	*	*			trans	-115.5	61	-178.6	-72.2	-174.5	178.2	175.5	0	111.8	S14 K18	S14-K16 PolarHBondContact O-N 3.14Å; S14-K16 VanDerWaalsContact O-N 3.08Å; K16-K18 PolarHBondContact O-N 2.88Å; K16-K18 VanDerWaalsContact O-N 3.14Å
17	I	53.2	Low	53.4	Low	101 Å²	101	115.8 Å²	115.8	52%	0.518	57%	0.57	S	S	.	*			trans	-71.9	106.9	174.6	-56	177.8	0	0	0	109.1
18	K	45.6	Very low	53.7	Low	150 Å²	150	111 Å²	111	65%	0.652	55%	0.552	S	S	*	*	B	Isolated β-bridge	trans	-85.1	127.6	169.7	-69.5	177.3	165.5	-161	0	109.5	K16 N22	K16-K18 PolarHBondContact O-N 2.88Å; K16-K18 VanDerWaalsContact O-N 3.14Å; K18-N22 WeakPolarHBondContact CD-OD1 3.4Å; K18-N22 PolarHBondContact NZ-OD1 3.1Å
19	N	48.8	Very low	53.6	Low	51 Å²	51	115.1 Å²	115.1	27%	0.273	57%	0.565	S	S	.	*			trans	-71.5	163.4	165	-166.4	-11.2	0	0	0	110	R21 N22 Q23 I25	N19-R21 PolarHBondContact O-N 3.11Å; N19-N22 WeakPolarHBondContact O-CA 3.44Å; N19-N22 PolarHBondContact O-N 3.01Å; N19-Q23 PolarHBondContact N-O 3.35Å; N19-Q23 VanDerWaalsContact N-O 3.15Å; N19-I25 HydrophobicContact CB-CD1 4.43Å
20	H	45.1	Very low	53.4	Low	190 Å²	190	116.8 Å²	116.8	88%	0.88	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54	-16.9	175.4	-102.9	-79.3	0	0	0	114.5
21	R	42.1	Very low	53	Low	210 Å²	210	114.3 Å²	114.3	79%	0.792	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	17.6	173.5	-66.3	-174.7	173.9	-176.5	-2.1	114.2	N19 Q23	N19-R21 PolarHBondContact O-N 3.11Å; R21-Q23 PolarHBondContact O-N 3.3Å
22	N	46.2	Very low	52.5	Low	115 Å²	115	114.4 Å²	114.4	62%	0.615	59%	0.591	S	S	*	*	S	Bend	trans	56.5	1.4	-172.9	-92.4	-47.1	0	0	0	116.4	K18 N19 A24	K18-N22 WeakPolarHBondContact CD-OD1 3.4Å; K18-N22 PolarHBondContact NZ-OD1 3.1Å; N19-N22 WeakPolarHBondContact O-CA 3.44Å; N19-N22 PolarHBondContact O-N 3.01Å; N22-A24 PolarHBondContact O-N 3.34Å
23	Q	46.6	Very low	51.9	Low	130 Å²	130	118.4 Å²	118.4	61%	0.607	62%	0.615	S	S	*	*			trans	-64.4	130.8	172	-73	177.6	-37	0	0	110.5	N19 R21	N19-Q23 PolarHBondContact N-O 3.35Å; N19-Q23 VanDerWaalsContact N-O 3.15Å; R21-Q23 PolarHBondContact O-N 3.3Å
24	A	45.4	Very low	51.9	Low	79 Å²	79	114.7 Å²	114.7	65%	0.653	60%	0.595	S	S	*	*	B	Isolated β-bridge	trans	-85.3	116.9	179	0	0	0	0	0	110.5	N22 R26	N22-A24 PolarHBondContact O-N 3.34Å; A24-R26 PolarHBondContact O-N 3.01Å
25	I	52.7	Low	52	Low	59 Å²	59	120.7 Å²	120.7	30%	0.303	62%	0.617	S	S	.	*			trans	-76.7	103.8	176.6	-60.5	173.1	0	0	0	108	N19 C27 V64	N19-I25 HydrophobicContact CB-CD1 4.43Å; I25-C27 HydrophobicContact CG2-CB 4.38Å; I25-C27 PolarHBondContact O-N 3.37Å; I25-V64 HydrophobicContact CD1-CG1 4.28Å; I25-V64 HydrophobicContact CG2-CG2 3.73Å
26	R	54.2	Low	52.4	Low	241 Å²	241	120.9 Å²	120.9	91%	0.909	61%	0.614	S	S	*	*			trans	-76.3	62.6	-178.9	-71.7	-172.3	177.6	175.9	-0.1	112.8	A24	A24-R26 PolarHBondContact O-N 3.01Å
27	C	58.3	Low	52.9	Low	48 Å²	48	120.3 Å²	120.3	32%	0.324	61%	0.607	S	S	.	*			trans	-112.3	42.9	170.7	-69.5	0	0	0	0	112.2	I25 C62	I25-C27 HydrophobicContact CG2-CB 4.38Å; I25-C27 PolarHBondContact O-N 3.37Å; C27-C62 HydrophobicContact CB-CB 3.71Å; C27-C62 WeakPolarHBondContact CB-SG 3.45Å; C27-C62 WeakPolarHBondContact SG-CB 3.49Å; C27-C62 CovalentContact SG-SG 2.03Å; C27-C62 PolarHBondContact SG-SG 2.54Å
28	C	59.6	Low	53.5	Low	43 Å²	43	119.4 Å²	119.4	29%	0.291	60%	0.6	S	S	.	*			trans	-136.8	126.9	-176.5	-64	0	0	0	0	109.9	C15	C15-C28 HydrophobicContact CB-CB 3.6Å; C15-C28 WeakPolarHBondContact CB-SG 3.3Å; C15-C28 PolarHBondContact O-SG 2.98Å; C15-C28 WeakPolarHBondContact SG-CB 3.45Å; C15-C28 CovalentContact SG-SG 2.03Å; C15-C28 PolarHBondContact SG-SG 3.48Å
29	K	56.4	Low	54.7	Low	145 Å²	145	117 Å²	117	63%	0.63	59%	0.594	S	S	*	*			trans	-86.5	122.4	158	-90.2	175.4	172.8	162.5	0	107.7	S31 S59 I60	K29-S31 PolarHBondContact O-N 2.95Å; K29-S31 VanDerWaalsContact O-N 3.14Å; K29-S59 PolarHBondContact NZ-O 2.72Å; K29-I60 HydrophobicContact CB-CD1 4.17Å; K29-I60 HydrophobicContact CD-CD1 4.27Å; K29-I60 HydrophobicContact CD-CG1 4.21Å; K29-I60 HydrophobicContact CG-CD1 4.22Å
30	N	53.9	Low	55.6	Low	156 Å²	156	117.2 Å²	117.2	83%	0.834	59%	0.593	S	S	*	*			trans	-71.4	105.5	169.9	-78.8	-4.7	0	0	0	109.1
31	S	51.9	Low	56.9	Low	80 Å²	80	114.4 Å²	114.4	56%	0.559	58%	0.578	S	S	*	*			trans	-103.7	132.3	156.2	-175.4	0	0	0	0	107.8	K29 N33	K29-S31 PolarHBondContact O-N 2.95Å; K29-S31 VanDerWaalsContact O-N 3.14Å; S31-N33 VanDerWaalsContact C-N 3.27Å; S31-N33 PolarHBondContact O-N 3Å
32	A	52.9	Low	58.5	Low	104 Å²	104	111.3 Å²	111.3	86%	0.86	58%	0.578	S	S	*	*	S	Bend	trans	-74.9	-15.5	-173.1	0	0	0	0	0	113.9
33	N	52.4	Low	59.9	Low	163 Å²	163	109.3 Å²	109.3	87%	0.872	56%	0.563	S	S	*	*	S	Bend	trans	-137.4	68.9	-177.5	-85.4	-23.2	0	0	0	110.8	S31	S31-N33 VanDerWaalsContact C-N 3.27Å; S31-N33 PolarHBondContact O-N 3Å
34	S	55.9	Low	61.4	Low	63 Å²	63	111.6 Å²	111.6	44%	0.441	57%	0.571	S	S	.	*			trans	-138.4	132	168.4	59.8	0	0	0	0	112.5	L36	S34-L36 PolarHBondContact O-N 2.81Å
35	H	61.1	Low	62.9	Low	180 Å²	180	109.8 Å²	109.8	83%	0.833	55%	0.552	S	S	*	*			trans	-64.2	104.1	170.5	-64.3	-82.1	0	0	0	109.1
36	L	64.4	Low	63.9	Low	55 Å²	55	109.5 Å²	109.5	29%	0.288	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.5	134.8	176.6	-57.6	172.5	0	0	0	109	H12 C15 S34	H12-L36 HydrophobicContact CB-CB 4.35Å; H12-L36 PolarHBondContact N-O 3.44Å; H12-L36 WeakPolarHBondContact O-CB 3.4Å; C15-L36 HydrophobicContact CB-CD1 4.07Å; S34-L36 PolarHBondContact O-N 2.81Å
37	W	64.8	Low	64.6	Low	164 Å²	164	100.7 Å²	100.7	62%	0.621	53%	0.534	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	132.7	171.9	-68.8	88.4	0	0	0	108.8	F9 P11	F9-W37 HydrophobicContact CB-CE3 4.13Å; F9-W37 HydrophobicContact CB-CZ3 4.4Å; P11-W37 HydrophobicContact CB-CZ3 4.44Å
38	K	66.3	Low	65.2	Low	82 Å²	82	104.7 Å²	104.7	36%	0.357	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	121.4	171.7	-166.7	-174.6	-178.6	-163.4	0	108.4	R10 H12 E40	R10-K38 PolarHBondContact N-O 3.13Å; R10-K38 PolarHBondContact O-N 2.92Å; H12-K38 HydrophobicContact CB-CB 4.26Å; K38-E40 HydrophobicContact CD-CG 3.77Å; K38-E40 WeakPolarHBondContact CD-OE1 3.43Å; K38-E40 VanDerWaalsContact CE-OE1 3.31Å; K38-E40 WeakPolarHBondContact CE-OE1 3.43Å; K38-E40 HydrophobicContact CG-CG 3.99Å; K38-E40 IonicContact NZ-OE1 2.65Å; K38-E40 PolarHBondContact NZ-OE1 3.24Å
39	L	69.1	Low	66.1	Low	100 Å²	100	107.9 Å²	107.9	52%	0.524	55%	0.553	S	S	.	*			trans	-90.6	128.3	160.3	-176.9	63.4	0	0	0	107.4	E7 F9	E7-L39 HydrophobicContact CB-CD1 4.44Å; F9-L39 HydrophobicContact CE1-CD1 4.25Å; F9-L39 HydrophobicContact CE2-CD1 4.46Å; F9-L39 HydrophobicContact CZ-CD1 4.08Å
40	E	69.3	Low	67.3	Low	55 Å²	55	103.4 Å²	103.4	26%	0.257	54%	0.538	S	S	.	.			trans	-109.1	136.2	175.8	-66.3	179.9	139.8	0	0	108.6	R10 K38	R10-E40 IonicContact CZ-OE2 3.71Å; R10-E40 IonicContact NE-OE2 3.93Å; R10-E40 IonicContact NH1-OE1 3.75Å; R10-E40 IonicContact NH1-OE2 3.84Å; R10-E40 PolarHBondContact NH1-OE2 3.4Å; K38-E40 HydrophobicContact CD-CG 3.77Å; K38-E40 WeakPolarHBondContact CD-OE1 3.43Å; K38-E40 VanDerWaalsContact CE-OE1 3.31Å; K38-E40 WeakPolarHBondContact CE-OE1 3.43Å; K38-E40 HydrophobicContact CG-CG 3.99Å; K38-E40 IonicContact NZ-OE1 2.65Å; K38-E40 PolarHBondContact NZ-OE1 3.24Å
41	F	71.3	Confident	68.6	Low	131 Å²	131	96.4 Å²	96.4	58%	0.575	50%	0.501	S	S	*	.			trans	-140.8	112.4	-176.6	177.5	-104.6	0	0	0	109.8	F43	F41-F43 HydrophobicContact CD1-CB 4.35Å; F41-F43 AromaticContact CD1-CD1 3.57Å; F41-F43 HydrophobicContact CD1-CD1 3.57Å; F41-F43 HydrophobicContact CD1-CE1 4.23Å; F41-F43 HydrophobicContact CD1-CG 4.23Å; F41-F43 HydrophobicContact CE1-CB 3.68Å; F41-F43 AromaticContact CE1-CD1 3.63Å; F41-F43 HydrophobicContact CE1-CD1 3.63Å; F41-F43 HydrophobicContact CE1-CE1 4.47Å; F41-F43 AromaticContact CE1-CG 3.8Å; F41-F43 HydrophobicContact CE1-CG 3.8Å; F41-F43 HydrophobicContact CZ-CB 4.18Å
42	D	74.9	Confident	70	Confident	145 Å²	145	100.1 Å²	100.1	78%	0.775	50%	0.504	S	S	*	.			trans	-98	125.1	-178.3	-67.4	-37.9	0	0	0	110.8
43	F	75.7	Confident	71.2	Confident	72 Å²	72	98.5 Å²	98.5	32%	0.316	48%	0.484	S	S	.	.			trans	-142.5	144.7	-179.2	64.6	-73.2	0	0	0	111.6	F41 V45 A51 V53	F41-F43 HydrophobicContact CD1-CB 4.35Å; F41-F43 AromaticContact CD1-CD1 3.57Å; F41-F43 HydrophobicContact CD1-CD1 3.57Å; F41-F43 HydrophobicContact CD1-CE1 4.23Å; F41-F43 HydrophobicContact CD1-CG 4.23Å; F41-F43 HydrophobicContact CE1-CB 3.68Å; F41-F43 AromaticContact CE1-CD1 3.63Å; F41-F43 HydrophobicContact CE1-CD1 3.63Å; F41-F43 HydrophobicContact CE1-CE1 4.47Å; F41-F43 AromaticContact CE1-CG 3.8Å; F41-F43 HydrophobicContact CE1-CG 3.8Å; F41-F43 HydrophobicContact CZ-CB 4.18Å; F43-V45 HydrophobicContact CD2-CG2 3.53Å; F43-V45 HydrophobicContact CE2-CG2 3.48Å; F43-V45 VanDerWaalsContact CE2-CG2 3.48Å; F43-A51 HydrophobicContact CE2-CB 4.05Å; F43-A51 HydrophobicContact CZ-CB 4.29Å; F43-V53 HydrophobicContact CE1-CG2 4.18Å; F43-V53 HydrophobicContact CE2-CG2 4.43Å; F43-V53 HydrophobicContact CZ-CG2 3.6Å
44	K	78.1	Confident	72.4	Confident	179 Å²	179	95.1 Å²	95.1	78%	0.778	47%	0.473	S	S	*	.			trans	-92.7	132.7	179.2	-64.2	177.8	-177.4	174.7	0	110.6
45	V	77.1	Confident	73.3	Confident	40 Å²	40	99 Å²	99	24%	0.242	48%	0.478	C	S	.	.			trans	-131.8	140.5	176.4	178.9	0	0	0	0	108.1	F43 Q49 A51 V68	F43-V45 HydrophobicContact CD2-CG2 3.53Å; F43-V45 HydrophobicContact CE2-CG2 3.48Å; F43-V45 VanDerWaalsContact CE2-CG2 3.48Å; V45-Q49 HydrophobicContact CG1-CB 3.86Å; V45-A51 HydrophobicContact CG1-CB 4.45Å; V45-A51 HydrophobicContact CG2-CB 4.12Å; V45-V68 HydrophobicContact CB-CG2 4.05Å; V45-V68 HydrophobicContact CG1-CG2 3.8Å
46	A	74.9	Confident	74	Confident	53 Å²	53	94.7 Å²	94.7	44%	0.438	47%	0.469	S	S	.	.			trans	-71.5	147.9	179.5	0	0	0	0	0	111.2	Q49	A46-Q49 HydrophobicContact CB-CG 4.22Å; A46-Q49 WeakPolarHBondContact O-CB 3.42Å; A46-Q49 PolarHBondContact O-N 3.31Å
47	S	69	Low	74.3	Confident	56 Å²	56	93.9 Å²	93.9	39%	0.392	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	145.4	175.5	62.9	0	0	0	0	111.6	Q49 P71	S47-Q49 PolarHBondContact O-N 3Å; S47-P71 VanDerWaalsContact CB-CD 3.49Å
48	R	70.7	Confident	74.7	Confident	132 Å²	132	97 Å²	97	50%	0.498	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	-3.5	-173.1	-53.1	175.6	166.4	-143.1	-8.3	115.9	V68 A70 D142	R48-V68 VanDerWaalsContact CA-O 3.31Å; R48-V68 WeakPolarHBondContact CA-O 3.49Å; R48-V68 PolarHBondContact N-O 3.02Å; R48-A70 HydrophobicContact CG-CB 3.8Å; R48-D142 VanDerWaalsContact CZ-O 3.27Å; R48-D142 PolarHBondContact NH2-O 3.44Å
49	Q	78.4	Confident	74.5	Confident	111 Å²	111	97 Å²	97	52%	0.519	50%	0.496	S	S	.	.			trans	-86.7	152.3	172.5	-64.4	-177	-19.8	0	0	112	V45 A46 S47 V68	V45-Q49 HydrophobicContact CG1-CB 3.86Å; A46-Q49 HydrophobicContact CB-CG 4.22Å; A46-Q49 WeakPolarHBondContact O-CB 3.42Å; A46-Q49 PolarHBondContact O-N 3.31Å; S47-Q49 PolarHBondContact O-N 3Å; Q49-V68 PolarHBondContact O-N 2.86Å
50	T	80.4	Confident	74.5	Confident	51 Å²	51	94.5 Å²	94.5	31%	0.313	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	113	170.7	-51.6	0	0	0	0	109.7	Y52 H65 V67	T50-Y52 HydrophobicContact CG2-CD1 4.48Å; T50-Y52 HydrophobicContact CG2-CD2 4.01Å; T50-Y52 HydrophobicContact CG2-CE1 4.03Å; T50-Y52 HydrophobicContact CG2-CE2 3.51Å; T50-Y52 HydrophobicContact CG2-CG 4.47Å; T50-Y52 WeakPolarHBondContact O-CD2 3.34Å; T50-H65 HydrophobicContact CG2-CB 3.9Å; T50-V67 HydrophobicContact CG2-CG2 4.26Å
51	A	82.3	Confident	74.6	Confident	8 Å²	8	97.8 Å²	97.8	7%	0.066	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	123.4	164.7	0	0	0	0	0	108.9	F43 V45 H65 Y66	F43-A51 HydrophobicContact CE2-CB 4.05Å; F43-A51 HydrophobicContact CZ-CB 4.29Å; V45-A51 HydrophobicContact CG1-CB 4.45Å; V45-A51 HydrophobicContact CG2-CB 4.12Å; A51-H65 CarbonylContact O-C 3.56Å; A51-H65 VanDerWaalsContact O-CA 3.28Å; A51-H65 WeakPolarHBondContact O-CA 3.35Å; A51-Y66 PolarHBondContact N-O 3.26Å; A51-Y66 PolarHBondContact O-N 3.19Å
52	Y	80.2	Confident	74.7	Confident	158 Å²	158	92.3 Å²	92.3	62%	0.62	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	127	170.2	-67.5	-88.3	0	0	0	108.8	T50 H65	T50-Y52 HydrophobicContact CG2-CD1 4.48Å; T50-Y52 HydrophobicContact CG2-CD2 4.01Å; T50-Y52 HydrophobicContact CG2-CE1 4.03Å; T50-Y52 HydrophobicContact CG2-CE2 3.51Å; T50-Y52 HydrophobicContact CG2-CG 4.47Å; T50-Y52 WeakPolarHBondContact O-CD2 3.34Å; Y52-H65 HydrophobicContact CD1-CB 3.72Å; Y52-H65 HydrophobicContact CE1-CB 3.76Å
53	V	78.6	Confident	74.7	Confident	71 Å²	71	90.7 Å²	90.7	43%	0.43	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	109.4	179.2	-176.8	0	0	0	0	108.3	F43 V64	F43-V53 HydrophobicContact CE1-CG2 4.18Å; F43-V53 HydrophobicContact CE2-CG2 4.43Å; F43-V53 HydrophobicContact CZ-CG2 3.6Å; V53-V64 PolarHBondContact N-O 2.73Å; V53-V64 PolarHBondContact O-N 3.35Å
54	S	77.3	Confident	74.7	Confident	92 Å²	92	89.3 Å²	89.3	64%	0.643	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	142.5	172.4	52.9	0	0	0	0	111	C62	S54-C62 CarbonylContact C-O 3.53Å; S54-C62 VanDerWaalsContact CA-O 3.3Å; S54-C62 WeakPolarHBondContact CA-O 3.22Å
55	Y	76.1	Confident	74.8	Confident	143 Å²	143	86.8 Å²	86.8	56%	0.561	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130	118.4	172.4	171.7	-97.1	0	0	0	108.6	N61 C62	Y55-N61 CarbonylContact O-C 3.56Å; Y55-N61 WeakPolarHBondContact O-CA 3.42Å; Y55-N61 PolarHBondContact O-OD1 3.14Å; Y55-C62 PolarHBondContact N-O 3.21Å; Y55-C62 PolarHBondContact O-N 2.91Å
56	S	74.5	Confident	74.9	Confident	91 Å²	91	89.9 Å²	89.9	64%	0.636	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.9	179.8	-169.7	0	0	0	0	110.4
57	S	72.4	Confident	75.1	Confident	38 Å²	38	91.4 Å²	91.4	27%	0.266	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	166.5	-178.7	68.7	0	0	0	0	109.6	S59 I60	S57-S59 PolarHBondContact O-N 3.12Å; S57-I60 PolarHBondContact N-O 3.26Å; S57-I60 PolarHBondContact O-N 3.11Å; S57-I60 PolarHBondContact OG-N 3.32Å; S57-I60 PolarHBondContact OG-O 3.32Å
58	K	72.1	Confident	75.5	Confident	229 Å²	229	90.3 Å²	90.3	100%	0.996	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-12.7	-177.4	-64.4	-173.8	179	-177.7	0	115.3
59	S	62.7	Low	75.7	Confident	82 Å²	82	87.9 Å²	87.9	57%	0.573	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.4	-4.4	-174.5	65.5	0	0	0	0	115.8	K29 S57	K29-S59 PolarHBondContact NZ-O 2.72Å; S57-S59 PolarHBondContact O-N 3.12Å
60	I	68.4	Low	75.6	Confident	48 Å²	48	83.6 Å²	83.6	25%	0.246	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	130.9	179.6	-56.5	-179.6	0	0	0	109	K29 S57	K29-I60 HydrophobicContact CB-CD1 4.17Å; K29-I60 HydrophobicContact CD-CD1 4.27Å; K29-I60 HydrophobicContact CD-CG1 4.21Å; K29-I60 HydrophobicContact CG-CD1 4.22Å; S57-I60 PolarHBondContact N-O 3.26Å; S57-I60 PolarHBondContact O-N 3.11Å; S57-I60 PolarHBondContact OG-N 3.32Å; S57-I60 PolarHBondContact OG-O 3.32Å
61	N	72.3	Confident	75.6	Confident	123 Å²	123	84 Å²	84	66%	0.658	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	136.4	162.1	-174.3	3	0	0	0	108.5	Y55	Y55-N61 CarbonylContact O-C 3.56Å; Y55-N61 WeakPolarHBondContact O-CA 3.42Å; Y55-N61 PolarHBondContact O-OD1 3.14Å
62	C	72.8	Confident	75.7	Confident	17 Å²	17	87.7 Å²	87.7	12%	0.115	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	139.7	-176.8	171	0	0	0	0	109.3	C27 S54 Y55	C27-C62 HydrophobicContact CB-CB 3.71Å; C27-C62 WeakPolarHBondContact CB-SG 3.45Å; C27-C62 WeakPolarHBondContact SG-CB 3.49Å; C27-C62 CovalentContact SG-SG 2.03Å; C27-C62 PolarHBondContact SG-SG 2.54Å; S54-C62 CarbonylContact C-O 3.53Å; S54-C62 VanDerWaalsContact CA-O 3.3Å; S54-C62 WeakPolarHBondContact CA-O 3.22Å; Y55-C62 PolarHBondContact N-O 3.21Å; Y55-C62 PolarHBondContact O-N 2.91Å
63	N	75.1	Confident	76	Confident	110 Å²	110	80.2 Å²	80.2	59%	0.588	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.7	125.4	170.8	-175	1.5	0	0	0	108.8
64	V	75.8	Confident	76.4	Confident	44 Å²	44	80.1 Å²	80.1	27%	0.267	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132	177.6	-176.4	0	0	0	0	108.3	I25 V53	I25-V64 HydrophobicContact CD1-CG1 4.28Å; I25-V64 HydrophobicContact CG2-CG2 3.73Å; V53-V64 PolarHBondContact N-O 2.73Å; V53-V64 PolarHBondContact O-N 3.35Å
65	H	79.3	Confident	77.1	Confident	125 Å²	125	75.8 Å²	75.8	58%	0.579	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	143.5	171.1	60.1	-91.2	0	0	0	110.4	T50 A51 Y52	T50-H65 HydrophobicContact CG2-CB 3.9Å; A51-H65 CarbonylContact O-C 3.56Å; A51-H65 VanDerWaalsContact O-CA 3.28Å; A51-H65 WeakPolarHBondContact O-CA 3.35Å; Y52-H65 HydrophobicContact CD1-CB 3.72Å; Y52-H65 HydrophobicContact CE1-CB 3.76Å
66	Y	78.6	Confident	77.8	Confident	106 Å²	106	76.7 Å²	76.7	42%	0.416	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	121.2	176.2	-179.5	-94.6	0	0	0	109.8	A51 V68	A51-Y66 PolarHBondContact N-O 3.26Å; A51-Y66 PolarHBondContact O-N 3.19Å; Y66-V68 HydrophobicContact CD1-CG2 4.28Å; Y66-V68 HydrophobicContact CE1-CG2 4.42Å
67	V	79.3	Confident	78.6	Confident	84 Å²	84	74.6 Å²	74.6	51%	0.509	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	116.4	175.3	-174.4	0	0	0	0	108.4	T50 P69	T50-V67 HydrophobicContact CG2-CG2 4.26Å; V67-P69 WeakPolarHBondContact O-CD 3.13Å
68	V	78.6	Confident	79.4	Confident	33 Å²	33	75.1 Å²	75.1	20%	0.2	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-69.5	118.9	178.3	-176.5	0	0	0	0	108.6	V45 R48 Q49 Y66	V45-V68 HydrophobicContact CB-CG2 4.05Å; V45-V68 HydrophobicContact CG1-CG2 3.8Å; R48-V68 VanDerWaalsContact CA-O 3.31Å; R48-V68 WeakPolarHBondContact CA-O 3.49Å; R48-V68 PolarHBondContact N-O 3.02Å; Q49-V68 PolarHBondContact O-N 2.86Å; Y66-V68 HydrophobicContact CD1-CG2 4.28Å; Y66-V68 HydrophobicContact CE1-CG2 4.42Å
69	P	73.9	Confident	80.2	Confident	82 Å²	82	66.7 Å²	66.7	53%	0.532	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-62.3	151.5	-179.1	26	-34	0	0	0	111.2	V67	V67-P69 WeakPolarHBondContact O-CD 3.13Å
70	A	77.2	Confident	81.4	Confident	21 Å²	21	66.5 Å²	66.5	17%	0.174	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-67.4	138	170.2	0	0	0	0	0	109.8	R48	R48-A70 HydrophobicContact CG-CB 3.8Å
71	P	80.6	Confident	82.2	Confident	59 Å²	59	69 Å²	69	38%	0.383	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-63	141	175.6	27.3	-34.5	0	0	0	110.1	S47 Y138 S144	S47-P71 VanDerWaalsContact CB-CD 3.49Å; P71-Y138 HydrophobicContact CB-CE2 4.28Å; P71-S144 WeakPolarHBondContact O-CB 3.2Å
72	Q	83.2	Confident	82.7	Confident	86 Å²	86	69 Å²	69	40%	0.402	37%	0.372	S	S	.	.			trans	-126.1	143.5	174.6	-72.2	-178.5	5.4	0	0	108.4	S144 R146	Q72-S144 WeakPolarHBondContact CG-OG 3.3Å; Q72-S144 PolarHBondContact NE2-OG 3.3Å; Q72-R146 HydrophobicContact CB-CB 4.27Å; Q72-R146 HydrophobicContact CG-CB 4.47Å
73	P	86.5	Confident	83.4	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.006	39%	0.385	C	S	.	.			trans	-66.7	151.8	172.2	27.4	-31.6	0	0	0	110.4	V96 V136 Y138 R146	P73-V96 HydrophobicContact CB-CG1 4.01Å; P73-V96 HydrophobicContact CG-CG1 4.3Å; P73-V136 HydrophobicContact CB-CG1 4.29Å; P73-V136 HydrophobicContact CG-CB 4.12Å; P73-V136 HydrophobicContact CG-CG1 3.72Å; P73-Y138 WeakPolarHBondContact CA-OH 3.25Å; P73-Y138 HydrophobicContact CB-CE1 4.22Å; P73-Y138 HydrophobicContact CB-CE2 4.41Å; P73-R146 WeakPolarHBondContact O-CD 3.2Å; P73-R146 PolarHBondContact O-NH1 2.92Å
74	D	87.8	Confident	84	Confident	69 Å²	69	68.3 Å²	68.3	37%	0.369	37%	0.369	S	S	.	.			trans	-101.8	147.7	155.8	-138.4	-33	0	0	0	110.7	D91 R146 K148	D74-D91 PolarHBondContact O-N 3.46Å; D74-R146 VanDerWaalsContact CA-NH1 3.35Å; D74-R146 VanDerWaalsContact CB-NH1 3.35Å; D74-R146 VanDerWaalsContact CG-CZ 3.43Å; D74-R146 VanDerWaalsContact CG-NH2 3.3Å; D74-R146 IonicContact OD1-CZ 3.82Å; D74-R146 IonicContact OD1-NH1 3.17Å; D74-R146 PolarHBondContact OD1-NH1 3.3Å; D74-R146 IonicContact OD1-NH2 2.8Å; D74-R146 PolarHBondContact OD1-NH2 3.06Å; D74-R146 IonicContact OD2-CZ 3.09Å; D74-R146 IonicContact OD2-NH1 2.69Å; D74-R146 PolarHBondContact OD2-NH1 3.19Å; D74-R146 IonicContact OD2-NH2 3.27Å; D74-R146 PolarHBondContact OD2-NH2 3.48Å; D74-K148 IonicContact OD1-NZ 3.83Å; D74-K148 PolarHBondContact OD1-NZ 3.37Å
75	F	90.9	Very high	84.7	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	143.4	-173.9	65.4	-87	0	0	0	110.4	L77 V88 H89 V90 V134 V136 R146 K148	F75-L77 HydrophobicContact CD2-CD2 3.83Å; F75-L77 HydrophobicContact CD2-CG 4.11Å; F75-L77 HydrophobicContact CE2-CD1 4.27Å; F75-L77 HydrophobicContact CE2-CD2 3.8Å; F75-L77 HydrophobicContact CE2-CG 3.94Å; F75-V88 HydrophobicContact CB-CG1 4.32Å; F75-V88 HydrophobicContact CD2-CG1 3.97Å; F75-V88 HydrophobicContact CG-CG1 4.45Å; F75-H89 CarbonylContact C-O 3.5Å; F75-H89 WeakPolarHBondContact CA-O 3.48Å; F75-H89 VanDerWaalsContact CB-O 3.25Å; F75-H89 WeakPolarHBondContact CB-O 3.21Å; F75-V90 HydrophobicContact CB-CG2 4.26Å; F75-V134 HydrophobicContact CE2-CG1 4.39Å; F75-V136 HydrophobicContact CD1-CB 3.76Å; F75-V136 HydrophobicContact CD1-CG1 4.37Å; F75-V136 HydrophobicContact CD1-CG2 3.66Å; F75-V136 HydrophobicContact CD2-CG2 3.86Å; F75-V136 HydrophobicContact CE1-CB 3.69Å; F75-V136 HydrophobicContact CE1-CG2 3.59Å; F75-V136 HydrophobicContact CE2-CG2 3.79Å; F75-V136 HydrophobicContact CG-CB 4.33Å; F75-V136 HydrophobicContact CG-CG2 3.79Å; F75-V136 HydrophobicContact CZ-CB 4.21Å; F75-V136 HydrophobicContact CZ-CG2 3.65Å; F75-R146 HydrophobicContact CE1-CB 4.09Å; F75-R146 HydrophobicContact CE1-CG 4.03Å; F75-K148 HydrophobicContact CD2-CD 4.24Å; F75-K148 HydrophobicContact CE1-CD 4.28Å; F75-K148 HydrophobicContact CE1-CG 4.31Å; F75-K148 HydrophobicContact CE2-CB 3.9Å; F75-K148 HydrophobicContact CE2-CD 3.73Å; F75-K148 HydrophobicContact CE2-CG 3.89Å; F75-K148 HydrophobicContact CZ-CB 3.89Å; F75-K148 HydrophobicContact CZ-CD 3.76Å; F75-K148 HydrophobicContact CZ-CG 3.58Å; F75-K148 PolarHBondContact O-NZ 3.46Å
76	R	91.3	Very high	85.2	Confident	162 Å²	162	61.3 Å²	61.3	61%	0.611	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	142	174.9	-68.7	175.8	-85	161.9	-3.9	109.2	H89 D91	R76-H89 PolarHBondContact N-O 3.38Å; R76-H89 PolarHBondContact O-N 3.1Å; R76-D91 IonicContact CZ-OD1 3.38Å; R76-D91 IonicContact NE-OD1 3.26Å; R76-D91 PolarHBondContact NE-OD1 3.09Å; R76-D91 IonicContact NE-OD2 2.72Å; R76-D91 PolarHBondContact NE-OD2 3.43Å; R76-D91 IonicContact NH2-OD1 3.23Å; R76-D91 PolarHBondContact NH2-OD1 3.19Å
77	L	91.5	Very high	85.8	Confident	48 Å²	48	57.8 Å²	57.8	25%	0.251	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	145	175.7	-64.9	-176.3	0	0	0	109.3	F75 I86 V88 V134 K148 P150	F75-L77 HydrophobicContact CD2-CD2 3.83Å; F75-L77 HydrophobicContact CD2-CG 4.11Å; F75-L77 HydrophobicContact CE2-CD1 4.27Å; F75-L77 HydrophobicContact CE2-CD2 3.8Å; F75-L77 HydrophobicContact CE2-CG 3.94Å; L77-I86 HydrophobicContact CD2-CG2 4Å; L77-V88 HydrophobicContact CD2-CB 4.21Å; L77-V88 HydrophobicContact CD2-CG1 4.04Å; L77-V88 HydrophobicContact CD2-CG2 3.77Å; L77-V134 HydrophobicContact CD1-CB 4.21Å; L77-V134 HydrophobicContact CD1-CG2 4.26Å; L77-V134 HydrophobicContact CD2-CB 4.05Å; L77-V134 HydrophobicContact CD2-CG1 4.18Å; L77-V134 HydrophobicContact CD2-CG2 4.04Å; L77-K148 HydrophobicContact CD1-CB 3.81Å; L77-P150 HydrophobicContact CD1-CG 4.45Å
78	S	89.9	Confident	86.4	Confident	49 Å²	49	53.8 Å²	53.8	34%	0.343	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	134.4	171.5	42.3	0	0	0	0	107.3	S87 H89	S78-S87 PolarHBondContact N-O 3.1Å; S78-S87 PolarHBondContact O-N 3.24Å; S78-S87 WeakPolarHBondContact OG-CB 3.22Å; S78-S87 PolarHBondContact OG-O 2.79Å; S78-H89 PolarHBondContact OG-CE1 3Å
79	V	88.3	Confident	87	Confident	51 Å²	51	56.1 Å²	56.1	31%	0.309	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	141.8	-173.3	-178.2	0	0	0	0	109.2	I86 P150 F151	V79-I86 HydrophobicContact CG2-CG1 4.44Å; V79-I86 HydrophobicContact CG2-CG2 4.44Å; V79-P150 HydrophobicContact CG2-CB 3.95Å; V79-P150 HydrophobicContact CG2-CG 4.05Å; V79-F151 HydrophobicContact CG1-CE1 3.86Å; V79-F151 HydrophobicContact CG1-CZ 3.85Å; V79-F151 HydrophobicContact CG2-CZ 4.4Å
80	N	88.3	Confident	87.7	Confident	79 Å²	79	52.8 Å²	52.8	42%	0.422	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	105	164.7	-177.9	-29.2	0	0	0	107.8	S82 S83 K84 T85	N80-S82 PolarHBondContact OD1-N 3.46Å; N80-S83 WeakPolarHBondContact CB-OG 3.45Å; N80-S83 PolarHBondContact ND2-OG 2.87Å; N80-S83 PolarHBondContact OD1-N 2.93Å; N80-S83 VanDerWaalsContact OD1-N 3.14Å; N80-S83 PolarHBondContact OD1-OG 3.44Å; N80-K84 WeakPolarHBondContact O-CA 3.09Å; N80-K84 PolarHBondContact O-N 2.79Å; N80-T85 PolarHBondContact N-O 3.1Å; N80-T85 PolarHBondContact O-N 2.89Å
81	E	84.1	Confident	87.8	Confident	100 Å²	100	56 Å²	56	47%	0.467	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-45.6	-177.9	-65.6	166.5	-147.8	0	0	111.5	S83 K84 L128	E81-S83 VanDerWaalsContact C-N 3.35Å; E81-S83 PolarHBondContact O-N 3.21Å; E81-K84 PolarHBondContact O-N 3.06Å; E81-L128 HydrophobicContact CB-CD1 4.48Å
82	S	84.6	Confident	87.2	Confident	124 Å²	124	55.2 Å²	55.2	87%	0.867	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-34.3	-174.2	-48.7	0	0	0	0	113.3	N80	N80-S82 PolarHBondContact OD1-N 3.46Å
83	S	86.2	Confident	86.6	Confident	56 Å²	56	53.9 Å²	53.9	39%	0.392	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-1	172.9	58	0	0	0	0	114	N80 E81 T85	N80-S83 WeakPolarHBondContact CB-OG 3.45Å; N80-S83 PolarHBondContact ND2-OG 2.87Å; N80-S83 PolarHBondContact OD1-N 2.93Å; N80-S83 VanDerWaalsContact OD1-N 3.14Å; N80-S83 PolarHBondContact OD1-OG 3.44Å; E81-S83 VanDerWaalsContact C-N 3.35Å; E81-S83 PolarHBondContact O-N 3.21Å; S83-T85 VanDerWaalsContact C-N 3.28Å; S83-T85 PolarHBondContact O-N 2.93Å; S83-T85 PolarHBondContact OG-OG1 2.85Å
84	K	88.1	Confident	86.4	Confident	56 Å²	56	57.7 Å²	57.7	24%	0.243	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	47	-171.9	-61.9	-177.6	167.3	-177.8	0	113.3	N80 E81 I125 P126 L128 E161	N80-K84 WeakPolarHBondContact O-CA 3.09Å; N80-K84 PolarHBondContact O-N 2.79Å; E81-K84 PolarHBondContact O-N 3.06Å; K84-I125 HydrophobicContact CB-CG1 4.35Å; K84-I125 WeakPolarHBondContact CB-O 3.33Å; K84-I125 VanDerWaalsContact O-CG1 3.29Å; K84-I125 WeakPolarHBondContact O-CG1 3.3Å; K84-I125 PolarHBondContact O-N 2.99Å; K84-P126 PolarHBondContact NZ-O 2.61Å; K84-L128 HydrophobicContact CG-CD1 4.4Å; K84-L128 HydrophobicContact CG-CD2 4.34Å; K84-L128 HydrophobicContact CG-CG 4.28Å; K84-E161 WeakPolarHBondContact CE-OE1 3.38Å; K84-E161 IonicContact NZ-OE1 2.83Å; K84-E161 PolarHBondContact NZ-OE1 3.22Å; K84-E161 IonicContact NZ-OE2 2.7Å
85	T	89.9	Confident	86.4	Confident	21 Å²	21	57.4 Å²	57.4	13%	0.129	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	146.4	178.4	51	0	0	0	0	112.4	N80 S83 V122 I123 T124	N80-T85 PolarHBondContact N-O 3.1Å; N80-T85 PolarHBondContact O-N 2.89Å; S83-T85 VanDerWaalsContact C-N 3.28Å; S83-T85 PolarHBondContact O-N 2.93Å; S83-T85 PolarHBondContact OG-OG1 2.85Å; T85-V122 HydrophobicContact CG2-CG1 4.11Å; T85-I123 CarbonylContact C-O 3.59Å; T85-I123 VanDerWaalsContact CA-O 3.25Å; T85-I123 WeakPolarHBondContact CA-O 3.35Å; T85-T124 HydrophobicContact CG2-CG2 4.35Å
86	I	90.1	Very high	86.4	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	117.5	171.5	-49.9	176.9	0	0	0	108.2	L77 V79 V88 I123 I125 V132 V134 P150 F151	L77-I86 HydrophobicContact CD2-CG2 4Å; V79-I86 HydrophobicContact CG2-CG1 4.44Å; V79-I86 HydrophobicContact CG2-CG2 4.44Å; I86-V88 HydrophobicContact CG2-CG2 4.41Å; I86-I123 PolarHBondContact N-O 3.35Å; I86-I123 PolarHBondContact O-N 3.03Å; I86-I125 HydrophobicContact CD1-CD1 4.04Å; I86-I125 HydrophobicContact CD1-CG2 4.39Å; I86-I125 HydrophobicContact CG1-CD1 4.22Å; I86-V132 HydrophobicContact CD1-CG1 4.48Å; I86-V134 HydrophobicContact CD1-CG2 3.88Å; I86-V134 HydrophobicContact CG2-CG2 3.99Å; I86-P150 HydrophobicContact CD1-CG 4.43Å; I86-F151 HydrophobicContact CD1-CE2 4.1Å; I86-F151 HydrophobicContact CD1-CZ 4.47Å
87	S	91.1	Very high	86.4	Confident	33 Å²	33	52.7 Å²	52.7	23%	0.231	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	112.4	173.5	-66.9	0	0	0	0	109.7	S78 H89	S78-S87 PolarHBondContact N-O 3.1Å; S78-S87 PolarHBondContact O-N 3.24Å; S78-S87 WeakPolarHBondContact OG-CB 3.22Å; S78-S87 PolarHBondContact OG-O 2.79Å; S87-H89 PolarHBondContact O-ND1 3.3Å
88	V	92.1	Very high	86.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.7	-179.2	-170.5	0	0	0	0	108.6	F75 L77 I86 V98 S120 A121 V134 V136	F75-V88 HydrophobicContact CB-CG1 4.32Å; F75-V88 HydrophobicContact CD2-CG1 3.97Å; F75-V88 HydrophobicContact CG-CG1 4.45Å; L77-V88 HydrophobicContact CD2-CB 4.21Å; L77-V88 HydrophobicContact CD2-CG1 4.04Å; L77-V88 HydrophobicContact CD2-CG2 3.77Å; I86-V88 HydrophobicContact CG2-CG2 4.41Å; V88-V98 HydrophobicContact CB-CG1 4.24Å; V88-V98 HydrophobicContact CG1-CG1 4.1Å; V88-V98 HydrophobicContact CG2-CG1 3.88Å; V88-S120 CarbonylContact O-C 3.49Å; V88-S120 WeakPolarHBondContact O-CA 3.38Å; V88-S120 WeakPolarHBondContact O-CB 3.23Å; V88-A121 PolarHBondContact N-O 3.48Å; V88-A121 PolarHBondContact O-N 2.81Å; V88-V134 HydrophobicContact CG2-CG1 3.9Å; V88-V134 HydrophobicContact CG2-CG2 4.48Å; V88-V136 HydrophobicContact CG1-CG2 4.23Å
89	H	90.9	Very high	86.2	Confident	81 Å²	81	51.5 Å²	51.5	38%	0.375	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.6	178.1	-62.1	84	0	0	0	108.8	F75 R76 S78 S87	F75-H89 CarbonylContact C-O 3.5Å; F75-H89 WeakPolarHBondContact CA-O 3.48Å; F75-H89 VanDerWaalsContact CB-O 3.25Å; F75-H89 WeakPolarHBondContact CB-O 3.21Å; R76-H89 PolarHBondContact N-O 3.38Å; R76-H89 PolarHBondContact O-N 3.1Å; S78-H89 PolarHBondContact OG-CE1 3Å; S87-H89 PolarHBondContact O-ND1 3.3Å
90	V	89.3	Confident	86.3	Confident	13 Å²	13	50 Å²	50	8%	0.079	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.3	-173	-176.6	0	0	0	0	108.6	F75 V96 R119	F75-V90 HydrophobicContact CB-CG2 4.26Å; V90-V96 HydrophobicContact CB-CG2 4.4Å; V90-V96 HydrophobicContact CG1-CG1 4.38Å; V90-V96 HydrophobicContact CG1-CG2 4Å; V90-V96 HydrophobicContact CG2-CG2 3.72Å; V90-R119 PolarHBondContact N-O 3.19Å
91	D	79.3	Confident	86.2	Confident	87 Å²	87	46.4 Å²	46.4	47%	0.465	27%	0.268	S	S	.	.	S	Bend	trans	-88.6	-11.3	-171	-64.3	-59.9	0	0	0	113.4	D74 R76	D74-D91 PolarHBondContact O-N 3.46Å; R76-D91 IonicContact CZ-OD1 3.38Å; R76-D91 IonicContact NE-OD1 3.26Å; R76-D91 PolarHBondContact NE-OD1 3.09Å; R76-D91 IonicContact NE-OD2 2.72Å; R76-D91 PolarHBondContact NE-OD2 3.43Å; R76-D91 IonicContact NH2-OD1 3.23Å; R76-D91 PolarHBondContact NH2-OD1 3.19Å
92	S	68.8	Low	86.3	Confident	43 Å²	43	42.4 Å²	42.4	30%	0.301	25%	0.249	S	C	.	.	S	Bend	trans	-97.8	153.1	165.7	-165	0	0	0	0	111.5	D94	S92-D94 VanDerWaalsContact C-N 3.32Å; S92-D94 PolarHBondContact OG-OD2 3.34Å
93	G	70	Confident	86.3	Confident	58 Å²	58	38 Å²	38	60%	0.598	22%	0.215	S	C	*	.	S	Bend	trans	-82.6	-3.6	173.1	0	0	0	0	0	114.9	S118	G93-S118 WeakPolarHBondContact O-CB 3.41Å
94	D	82.6	Confident	85.8	Confident	82 Å²	82	40.1 Å²	40.1	44%	0.439	22%	0.217	S	C	.	.	S	Bend	trans	-67.5	144.8	176.9	-57.1	-65.7	0	0	0	111.5	S92 V96 Y138	S92-D94 VanDerWaalsContact C-N 3.32Å; S92-D94 PolarHBondContact OG-OD2 3.34Å; D94-V96 PolarHBondContact O-N 3.21Å; D94-Y138 HydrophobicContact CB-CD1 4.17Å; D94-Y138 HydrophobicContact CB-CE1 3.99Å
95	P	87.6	Confident	84.5	Confident	63 Å²	63	44.6 Å²	44.6	41%	0.409	24%	0.243	S	C	.	.			trans	-67.6	124.2	175.4	28.7	-34.3	0	0	0	111.2	T116 T117 T139	P95-T116 HydrophobicContact CB-CG2 4.33Å; P95-T117 WeakPolarHBondContact CA-O 3.38Å; P95-T139 HydrophobicContact CB-CG2 3.94Å; P95-T139 HydrophobicContact CG-CG2 4.3Å; P95-T139 WeakPolarHBondContact O-CG2 3.21Å; P95-T139 PolarHBondContact O-N 2.97Å
96	V	90.9	Very high	82.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	149.7	174.1	-64.7	0	0	0	0	111.2	P73 V90 D94 V98 T116 T117 V136 Y137 Y138	P73-V96 HydrophobicContact CB-CG1 4.01Å; P73-V96 HydrophobicContact CG-CG1 4.3Å; V90-V96 HydrophobicContact CB-CG2 4.4Å; V90-V96 HydrophobicContact CG1-CG1 4.38Å; V90-V96 HydrophobicContact CG1-CG2 4Å; V90-V96 HydrophobicContact CG2-CG2 3.72Å; D94-V96 PolarHBondContact O-N 3.21Å; V96-V98 HydrophobicContact CG2-CG2 4.1Å; V96-T116 CarbonylContact O-C 3.52Å; V96-T116 WeakPolarHBondContact O-CA 3.19Å; V96-T117 HydrophobicContact CG2-CG2 4.23Å; V96-T117 WeakPolarHBondContact CG2-O 3.45Å; V96-T117 PolarHBondContact N-O 3.22Å; V96-T117 PolarHBondContact O-N 2.94Å; V96-V136 HydrophobicContact CB-CG1 3.83Å; V96-V136 HydrophobicContact CG1-CG1 4.29Å; V96-V136 HydrophobicContact CG2-CG1 3.77Å; V96-Y137 CarbonylContact C-O 3.53Å; V96-Y137 WeakPolarHBondContact CA-O 3.4Å; V96-Y137 WeakPolarHBondContact CB-O 3.4Å; V96-Y138 HydrophobicContact CG1-CD1 3.62Å; V96-Y138 HydrophobicContact CG1-CE1 3.88Å; V96-Y138 HydrophobicContact CG1-CG 4.42Å
97	K	89.9	Confident	81.8	Confident	62 Å²	62	50.9 Å²	50.9	27%	0.27	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	127.3	167.3	-75.6	165.4	-179	164.1	0	108.4	P114 L115 V136 Y137 T139	K97-P114 HydrophobicContact CB-CB 4.15Å; K97-L115 WeakPolarHBondContact CA-O 3.06Å; K97-V136 WeakPolarHBondContact O-CA 3.18Å; K97-Y137 HydrophobicContact CB-CD1 4.29Å; K97-Y137 HydrophobicContact CB-CD2 4.05Å; K97-Y137 HydrophobicContact CB-CE1 3.92Å; K97-Y137 HydrophobicContact CB-CE2 3.67Å; K97-Y137 HydrophobicContact CB-CG 4.34Å; K97-Y137 HydrophobicContact CD-CD2 4.33Å; K97-Y137 HydrophobicContact CD-CE2 3.6Å; K97-Y137 HydrophobicContact CG-CE2 4.25Å; K97-Y137 PolarHBondContact N-O 3.32Å; K97-Y137 PolarHBondContact O-N 2.97Å; K97-T139 HydrophobicContact CG-CG2 4.26Å; K97-T139 PolarHBondContact NZ-O 2.83Å
98	V	89.7	Confident	80.9	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.9	-179.2	-173.7	0	0	0	0	108.1	V88 V96 P114 L115 T117 A121 I123 V134 V136	V88-V98 HydrophobicContact CB-CG1 4.24Å; V88-V98 HydrophobicContact CG1-CG1 4.1Å; V88-V98 HydrophobicContact CG2-CG1 3.88Å; V96-V98 HydrophobicContact CG2-CG2 4.1Å; V98-P114 CarbonylContact O-C 3.5Å; V98-P114 WeakPolarHBondContact O-CA 3.34Å; V98-L115 PolarHBondContact N-O 3.07Å; V98-L115 PolarHBondContact O-N 3.36Å; V98-T117 HydrophobicContact CG2-CG2 3.8Å; V98-A121 HydrophobicContact CG2-CB 4.41Å; V98-I123 HydrophobicContact CB-CD1 4.48Å; V98-I123 HydrophobicContact CG1-CD1 3.59Å; V98-V134 HydrophobicContact CG1-CG1 3.88Å; V98-V136 HydrophobicContact CG1-CG2 4.19Å; V98-V136 HydrophobicContact CG2-CG1 4.17Å; V98-V136 HydrophobicContact CG2-CG2 4.35Å
99	R	88.6	Confident	79.6	Confident	71 Å²	71	52.1 Å²	52.1	27%	0.268	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	156.2	169.8	63.8	-178.6	-178.8	166.6	2.2	111.3	P114 V134 E135	R99-P114 HydrophobicContact CB-CB 4.32Å; R99-V134 WeakPolarHBondContact O-CA 3.45Å; R99-E135 HydrophobicContact CG-CB 4.28Å; R99-E135 IonicContact CZ-OE2 2.65Å; R99-E135 PolarHBondContact N-O 3.42Å; R99-E135 IonicContact NE-OE2 2.84Å; R99-E135 PolarHBondContact NE-OE2 3.09Å; R99-E135 IonicContact NH2-OE2 3.42Å; R99-E135 PolarHBondContact NH2-OE2 3.38Å; R99-E135 PolarHBondContact O-N 3.39Å
100	W	89.3	Confident	78.3	Confident	21 Å²	21	52.9 Å²	52.9	8%	0.08	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	165.2	163.9	71.2	-79.5	0	0	0	110.1	Y102 G111 D112 I123 I125 P126 V132 C133	W100-Y102 AromaticContact CH2-CE2 3.82Å; W100-Y102 HydrophobicContact CH2-CE2 3.82Å; W100-Y102 HydrophobicContact CZ3-CD2 4.1Å; W100-Y102 HydrophobicContact CZ3-CE1 4.31Å; W100-Y102 AromaticContact CZ3-CE2 3.48Å; W100-Y102 HydrophobicContact CZ3-CE2 3.48Å; W100-Y102 VanDerWaalsContact CZ3-CE2 3.48Å; W100-Y102 AromaticContact CZ3-CZ 3.6Å; W100-G111 WeakPolarHBondContact O-CA 3.49Å; W100-D112 PolarHBondContact NE1-OD2 2.99Å; W100-I123 HydrophobicContact CB-CG2 4.05Å; W100-I123 HydrophobicContact CG-CG2 3.89Å; W100-I125 HydrophobicContact CB-CG2 4.26Å; W100-I125 HydrophobicContact CD2-CG2 3.84Å; W100-I125 HydrophobicContact CE3-CG2 4Å; W100-I125 HydrophobicContact CG-CG2 3.96Å; W100-P126 HydrophobicContact CH2-CG 3.99Å; W100-V132 HydrophobicContact CE3-CG1 4.41Å; W100-C133 CarbonylContact C-O 3.5Å; W100-C133 VanDerWaalsContact CA-O 3.27Å; W100-C133 WeakPolarHBondContact CA-O 3.16Å
101	C	87.4	Confident	76.8	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.014	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	162.7	177	39.7	0	0	0	0	112	C108 C133	C101-C108 HydrophobicContact CB-CB 3.37Å; C101-C108 WeakPolarHBondContact CB-SG 3.47Å; C101-C108 WeakPolarHBondContact SG-CB 3.38Å; C101-C108 CovalentContact SG-SG 2.03Å; C101-C108 PolarHBondContact SG-SG 3.25Å; C101-C133 PolarHBondContact N-O 3.08Å; C101-C133 PolarHBondContact O-N 2.7Å
102	Y	86.2	Confident	75.9	Confident	16 Å²	16	54.8 Å²	54.8	6%	0.063	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.4	166.5	-59.6	-78.8	0	0	0	110.5	W100 S109 L129 C131 V132 K180	W100-Y102 AromaticContact CH2-CE2 3.82Å; W100-Y102 HydrophobicContact CH2-CE2 3.82Å; W100-Y102 HydrophobicContact CZ3-CD2 4.1Å; W100-Y102 HydrophobicContact CZ3-CE1 4.31Å; W100-Y102 AromaticContact CZ3-CE2 3.48Å; W100-Y102 HydrophobicContact CZ3-CE2 3.48Å; W100-Y102 VanDerWaalsContact CZ3-CE2 3.48Å; W100-Y102 AromaticContact CZ3-CZ 3.6Å; Y102-S109 PolarHBondContact N-O 3.49Å; Y102-S109 VanDerWaalsContact N-O 3.13Å; Y102-S109 PolarHBondContact O-N 2.85Å; Y102-L129 HydrophobicContact CE1-CD1 4.02Å; Y102-C131 CarbonylContact C-O 3.57Å; Y102-C131 WeakPolarHBondContact CA-O 3.33Å; Y102-V132 HydrophobicContact CD1-CG2 3.87Å; Y102-V132 HydrophobicContact CE1-CG2 3.61Å; Y102-K180 HydrophobicContact CD1-CG 3.74Å; Y102-K180 HydrophobicContact CD2-CG 4.45Å; Y102-K180 HydrophobicContact CE1-CG 3.74Å; Y102-K180 VanDerWaalsContact CE2-CE 3.47Å; Y102-K180 HydrophobicContact CE2-CG 4.44Å; Y102-K180 HydrophobicContact CG-CG 4.11Å
103	E	84.1	Confident	76.1	Confident	32 Å²	32	61.6 Å²	61.6	15%	0.15	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	124.5	173.7	178.5	167.4	-95.7	0	0	110.9	C131 R147 R152	E103-C131 HydrophobicContact CB-CB 4.22Å; E103-C131 PolarHBondContact N-O 3.38Å; E103-R147 IonicContact OE1-CZ 3.96Å; E103-R147 IonicContact OE1-NE 3.65Å; E103-R147 PolarHBondContact OE1-NE 2.85Å; E103-R147 IonicContact OE1-NH2 2.64Å; E103-R147 PolarHBondContact OE1-NH2 3.42Å; E103-R152 IonicContact OE2-CZ 2.76Å; E103-R152 IonicContact OE2-NH1 2.66Å; E103-R152 PolarHBondContact OE2-NH1 2.78Å; E103-R152 IonicContact OE2-NH2 3.54Å
104	K	75.4	Confident	76.5	Confident	101 Å²	101	61.4 Å²	61.4	44%	0.439	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	168.7	168	-62.3	-168	-167.3	161.3	0	110.3	S106 G107 S109	K104-S106 PolarHBondContact O-N 3.48Å; K104-G107 PolarHBondContact N-O 3.48Å; K104-G107 PolarHBondContact O-N 2.91Å; K104-S109 VanDerWaalsContact CD-OG 3.29Å; K104-S109 WeakPolarHBondContact CD-OG 3.18Å; K104-S109 WeakPolarHBondContact CE-OG 3.16Å; K104-S109 PolarHBondContact NZ-OG 3.34Å
105	D	60.5	Low	76.6	Confident	149 Å²	149	61.9 Å²	61.9	80%	0.797	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-28.2	-170.3	-47.5	-70.4	0	0	0	114.7
106	S	56.9	Low	76.4	Confident	127 Å²	127	62.7 Å²	62.7	89%	0.888	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-0.8	179.7	59.1	0	0	0	0	115.4	K104	K104-S106 PolarHBondContact O-N 3.48Å
107	G	67.2	Low	76.1	Confident	26 Å²	26	63.9 Å²	63.9	27%	0.268	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	154.5	-171.4	179.7	0	0	0	0	0	115.7	K104	K104-G107 PolarHBondContact N-O 3.48Å; K104-G107 PolarHBondContact O-N 2.91Å
108	C	72.1	Confident	75.6	Confident	26 Å²	26	63.6 Å²	63.6	18%	0.176	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	110.6	178.2	-106.9	0	0	0	0	111.4	C101	C101-C108 HydrophobicContact CB-CB 3.37Å; C101-C108 WeakPolarHBondContact CB-SG 3.47Å; C101-C108 WeakPolarHBondContact SG-CB 3.38Å; C101-C108 CovalentContact SG-SG 2.03Å; C101-C108 PolarHBondContact SG-SG 3.25Å
109	S	65.4	Low	75.3	Confident	33 Å²	33	72.9 Å²	72.9	23%	0.231	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	123.7	176.4	-69.9	0	0	0	0	111	Y102 K104	Y102-S109 PolarHBondContact N-O 3.49Å; Y102-S109 VanDerWaalsContact N-O 3.13Å; Y102-S109 PolarHBondContact O-N 2.85Å; K104-S109 VanDerWaalsContact CD-OG 3.29Å; K104-S109 WeakPolarHBondContact CD-OG 3.18Å; K104-S109 WeakPolarHBondContact CE-OG 3.16Å; K104-S109 PolarHBondContact NZ-OG 3.34Å
110	S	63.2	Low	75.2	Confident	98 Å²	98	72.8 Å²	72.8	69%	0.685	41%	0.412	S	S	*	.			trans	50.8	98.8	164.3	-53.3	0	0	0	0	116.3
111	G	56.6	Low	75.2	Confident	31 Å²	31	72 Å²	72	32%	0.32	41%	0.41	S	S	.	.			trans	-142.2	174	154.2	0	0	0	0	0	108.7	W100	W100-G111 WeakPolarHBondContact O-CA 3.49Å
112	D	62	Low	75.3	Confident	108 Å²	108	76.3 Å²	76.3	58%	0.578	44%	0.436	S	S	*	.			trans	-65.7	176.2	-168.3	-56.4	-61.9	0	0	0	114.6	W100	W100-D112 PolarHBondContact NE1-OD2 2.99Å
113	Q	71.8	Confident	75.5	Confident	187 Å²	187	76.4 Å²	76.4	87%	0.874	44%	0.438	S	S	*	.	S	Bend	trans	-52.3	133.2	173.5	-77.4	-173.9	-29	0	0	110.7	L115	Q113-L115 PolarHBondContact O-N 3.5Å
114	P	80	Confident	75.7	Confident	53 Å²	53	79.4 Å²	79.4	34%	0.344	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-68.3	118.1	-173.2	26.8	-34.2	0	0	0	111.2	K97 V98 R99	K97-P114 HydrophobicContact CB-CB 4.15Å; V98-P114 CarbonylContact O-C 3.5Å; V98-P114 WeakPolarHBondContact O-CA 3.34Å; R99-P114 HydrophobicContact CB-CB 4.32Å
115	L	83.9	Confident	76.2	Confident	92 Å²	92	74.8 Å²	74.8	48%	0.482	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	133.8	177.6	-161.9	73.4	0	0	0	109.4	K97 V98 Q113 A121	K97-L115 WeakPolarHBondContact CA-O 3.06Å; V98-L115 PolarHBondContact N-O 3.07Å; V98-L115 PolarHBondContact O-N 3.36Å; Q113-L115 PolarHBondContact O-N 3.5Å; L115-A121 HydrophobicContact CD2-CB 3.95Å
116	T	83.7	Confident	77.4	Confident	81 Å²	81	70.5 Å²	70.5	50%	0.497	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.7	177.7	-57.8	0	0	0	0	110.2	P95 V96 T139	P95-T116 HydrophobicContact CB-CG2 4.33Å; V96-T116 CarbonylContact O-C 3.52Å; V96-T116 WeakPolarHBondContact O-CA 3.19Å; T116-T139 HydrophobicContact CG2-CG2 3.9Å
117	T	83.3	Confident	78.7	Confident	24 Å²	24	66.8 Å²	66.8	15%	0.147	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	159.2	178.1	-174.9	0	0	0	0	111.3	P95 V96 V98 R119 S120 A121	P95-T117 WeakPolarHBondContact CA-O 3.38Å; V96-T117 HydrophobicContact CG2-CG2 4.23Å; V96-T117 WeakPolarHBondContact CG2-O 3.45Å; V96-T117 PolarHBondContact N-O 3.22Å; V96-T117 PolarHBondContact O-N 2.94Å; V98-T117 HydrophobicContact CG2-CG2 3.8Å; T117-R119 PolarHBondContact OG1-N 3.18Å; T117-S120 WeakPolarHBondContact CB-O 3.24Å; T117-S120 PolarHBondContact OG1-N 2.88Å; T117-S120 PolarHBondContact OG1-O 3.2Å; T117-A121 HydrophobicContact CG2-CB 3.89Å
118	S	79.9	Confident	79.6	Confident	57 Å²	57	67.1 Å²	67.1	40%	0.399	38%	0.382	S	S	.	.	S	Bend	trans	-114.3	0.4	174.9	54.7	0	0	0	0	114	G93	G93-S118 WeakPolarHBondContact O-CB 3.41Å
119	R	83.5	Confident	80.3	Confident	195 Å²	195	65.9 Å²	65.9	74%	0.736	37%	0.374	S	S	*	.	S	Bend	trans	-149.2	-50.5	179.1	-71.9	-169.1	174.5	-177	-1.9	114	V90 T117	V90-R119 PolarHBondContact N-O 3.19Å; T117-R119 PolarHBondContact OG1-N 3.18Å
120	S	87.4	Confident	81.2	Confident	69 Å²	69	64.8 Å²	64.8	48%	0.483	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	151.6	-178	55.7	0	0	0	0	113.4	V88 T117	V88-S120 CarbonylContact O-C 3.49Å; V88-S120 WeakPolarHBondContact O-CA 3.38Å; V88-S120 WeakPolarHBondContact O-CB 3.23Å; T117-S120 WeakPolarHBondContact CB-O 3.24Å; T117-S120 PolarHBondContact OG1-N 2.88Å; T117-S120 PolarHBondContact OG1-O 3.2Å
121	A	88.1	Confident	82.3	Confident	6 Å²	6	60.3 Å²	60.3	5%	0.05	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	143.4	175.2	0	0	0	0	0	109.4	V88 V98 L115 T117	V88-A121 PolarHBondContact N-O 3.48Å; V88-A121 PolarHBondContact O-N 2.81Å; V98-A121 HydrophobicContact CG2-CB 4.41Å; L115-A121 HydrophobicContact CD2-CB 3.95Å; T117-A121 HydrophobicContact CG2-CB 3.89Å
122	V	90.3	Very high	83.9	Confident	92 Å²	92	58.9 Å²	58.9	56%	0.558	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.5	170.2	-174	0	0	0	0	107.8	T85	T85-V122 HydrophobicContact CG2-CG1 4.11Å
123	I	89.2	Confident	85.2	Confident	18 Å²	18	53.7 Å²	53.7	9%	0.092	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.4	-179	-67.6	177	0	0	0	108.6	T85 I86 V98 W100 I125	T85-I123 CarbonylContact C-O 3.59Å; T85-I123 VanDerWaalsContact CA-O 3.25Å; T85-I123 WeakPolarHBondContact CA-O 3.35Å; I86-I123 PolarHBondContact N-O 3.35Å; I86-I123 PolarHBondContact O-N 3.03Å; V98-I123 HydrophobicContact CB-CD1 4.48Å; V98-I123 HydrophobicContact CG1-CD1 3.59Å; W100-I123 HydrophobicContact CB-CG2 4.05Å; W100-I123 HydrophobicContact CG-CG2 3.89Å; I123-I125 HydrophobicContact CG2-CG2 4.31Å
124	T	89.2	Confident	86	Confident	95 Å²	95	44.8 Å²	44.8	58%	0.583	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	138.6	171.1	-48	0	0	0	0	109.7	T85	T85-T124 HydrophobicContact CG2-CG2 4.35Å
125	I	86.6	Confident	86.5	Confident	3 Å²	3	43 Å²	43	2%	0.015	24%	0.238	C	C	.	.			trans	-122.3	145.3	176.5	51.5	168	0	0	0	110.6	K84 I86 W100 I123 L128 V132 F151	K84-I125 HydrophobicContact CB-CG1 4.35Å; K84-I125 WeakPolarHBondContact CB-O 3.33Å; K84-I125 VanDerWaalsContact O-CG1 3.29Å; K84-I125 WeakPolarHBondContact O-CG1 3.3Å; K84-I125 PolarHBondContact O-N 2.99Å; I86-I125 HydrophobicContact CD1-CD1 4.04Å; I86-I125 HydrophobicContact CD1-CG2 4.39Å; I86-I125 HydrophobicContact CG1-CD1 4.22Å; W100-I125 HydrophobicContact CB-CG2 4.26Å; W100-I125 HydrophobicContact CD2-CG2 3.84Å; W100-I125 HydrophobicContact CE3-CG2 4Å; W100-I125 HydrophobicContact CG-CG2 3.96Å; I123-I125 HydrophobicContact CG2-CG2 4.31Å; I125-L128 HydrophobicContact CD1-CD2 3.82Å; I125-V132 HydrophobicContact CD1-CG1 4.08Å; I125-V132 HydrophobicContact CG2-CG1 4.23Å; I125-F151 HydrophobicContact CD1-CE2 3.65Å; I125-F151 HydrophobicContact CD1-CZ 3.74Å
126	P	85.1	Confident	86.8	Confident	59 Å²	59	38.7 Å²	38.7	38%	0.383	22%	0.215	S	C	.	.	S	Bend	trans	-74.5	-33.6	-176.3	29.3	-35.1	0	0	0	112.7	K84 W100	K84-P126 PolarHBondContact NZ-O 2.61Å; W100-P126 HydrophobicContact CH2-CG 3.99Å
127	H	84.7	Confident	87.1	Confident	49 Å²	49	36 Å²	36	23%	0.227	20%	0.196	C	C	.	.			trans	-143.3	144.9	-173.4	-57.2	-73.8	0	0	0	112.3	L129 E161 T165	H127-L129 HydrophobicContact CB-CD1 4.33Å; H127-L129 HydrophobicContact CB-CD2 4.25Å; H127-L129 HydrophobicContact CB-CG 3.93Å; H127-L129 PolarHBondContact O-N 3.29Å; H127-E161 WeakPolarHBondContact CA-OE2 3.33Å; H127-E161 WeakPolarHBondContact CB-OE2 3.24Å; H127-E161 IonicContact ND1-OE1 3.99Å; H127-E161 IonicContact ND1-OE2 3.03Å; H127-T165 HydrophobicContact CB-CG2 3.97Å; H127-T165 WeakPolarHBondContact CD2-CG2 3.44Å
128	L	85.3	Confident	87.3	Confident	33 Å²	33	36.6 Å²	36.6	17%	0.173	20%	0.196	C	C	.	.			trans	-92.6	81	-178.9	-60	172.6	0	0	0	109.6	E81 K84 I125 F151 E161	E81-L128 HydrophobicContact CB-CD1 4.48Å; K84-L128 HydrophobicContact CG-CD1 4.4Å; K84-L128 HydrophobicContact CG-CD2 4.34Å; K84-L128 HydrophobicContact CG-CG 4.28Å; I125-L128 HydrophobicContact CD1-CD2 3.82Å; L128-F151 HydrophobicContact CD2-CE1 3.7Å; L128-F151 HydrophobicContact CD2-CE2 4.49Å; L128-F151 HydrophobicContact CD2-CZ 3.61Å; L128-E161 PolarHBondContact N-OE2 2.62Å
129	L	86.3	Confident	87.7	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.192	C	C	.	.			trans	-115.1	147.9	-176.4	-48.9	-179.5	0	0	0	112	Y102 H127 C131 V132 E161 I162 T165 K180 C181	Y102-L129 HydrophobicContact CE1-CD1 4.02Å; H127-L129 HydrophobicContact CB-CD1 4.33Å; H127-L129 HydrophobicContact CB-CD2 4.25Å; H127-L129 HydrophobicContact CB-CG 3.93Å; H127-L129 PolarHBondContact O-N 3.29Å; L129-C131 PolarHBondContact O-N 3.2Å; L129-C131 VanDerWaalsContact O-N 3.1Å; L129-V132 HydrophobicContact CB-CG2 4.17Å; L129-V132 WeakPolarHBondContact O-CB 3.41Å; L129-V132 PolarHBondContact O-N 2.89Å; L129-E161 HydrophobicContact CD2-CB 3.97Å; L129-I162 HydrophobicContact CD2-CG1 4.19Å; L129-T165 HydrophobicContact CD1-CG2 4.11Å; L129-T165 VanDerWaalsContact CD1-OG1 3.32Å; L129-T165 WeakPolarHBondContact CD1-OG1 3.41Å; L129-K180 HydrophobicContact CD1-CB 3.81Å; L129-K180 HydrophobicContact CD1-CG 4.14Å; L129-C181 WeakPolarHBondContact CB-SG 3.42Å
130	P	85.9	Confident	87.8	Confident	9 Å²	9	32 Å²	32	6%	0.058	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-25	-172.3	20.5	-31.8	0	0	0	114.9	I157 C181	P130-I157 HydrophobicContact CB-CD1 3.84Å; P130-I157 HydrophobicContact CG-CD1 4Å; P130-C181 HydrophobicContact CG-CB 4.32Å
131	C	86.4	Confident	87.4	Confident	5 Å²	5	37.6 Å²	37.6	3%	0.034	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	5.1	175.7	73.4	0	0	0	0	114.2	Y102 E103 L129 C133 C181	Y102-C131 CarbonylContact C-O 3.57Å; Y102-C131 WeakPolarHBondContact CA-O 3.33Å; E103-C131 HydrophobicContact CB-CB 4.22Å; E103-C131 PolarHBondContact N-O 3.38Å; L129-C131 PolarHBondContact O-N 3.2Å; L129-C131 VanDerWaalsContact O-N 3.1Å; C131-C133 PolarHBondContact O-N 3.04Å; C131-C181 HydrophobicContact CB-CB 3.59Å; C131-C181 WeakPolarHBondContact CB-SG 3.36Å; C131-C181 PolarHBondContact N-SG 3.17Å; C131-C181 WeakPolarHBondContact SG-CA 3.47Å; C131-C181 WeakPolarHBondContact SG-CB 3.4Å; C131-C181 CovalentContact SG-SG 2.03Å; C131-C181 PolarHBondContact SG-SG 3.26Å
132	V	88.7	Confident	87.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	121.3	171.8	173.4	0	0	0	0	109	I86 W100 Y102 I125 L129 F151	I86-V132 HydrophobicContact CD1-CG1 4.48Å; W100-V132 HydrophobicContact CE3-CG1 4.41Å; Y102-V132 HydrophobicContact CD1-CG2 3.87Å; Y102-V132 HydrophobicContact CE1-CG2 3.61Å; I125-V132 HydrophobicContact CD1-CG1 4.08Å; I125-V132 HydrophobicContact CG2-CG1 4.23Å; L129-V132 HydrophobicContact CB-CG2 4.17Å; L129-V132 WeakPolarHBondContact O-CB 3.41Å; L129-V132 PolarHBondContact O-N 2.89Å; V132-F151 HydrophobicContact CB-CD2 3.94Å; V132-F151 HydrophobicContact CB-CE2 4.17Å; V132-F151 HydrophobicContact CG1-CD2 4.28Å; V132-F151 HydrophobicContact CG1-CE2 4.04Å
133	C	89	Confident	86.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	152	-177.9	-54.4	0	0	0	0	111.1	W100 C101 C131 R147 C149	W100-C133 CarbonylContact C-O 3.5Å; W100-C133 VanDerWaalsContact CA-O 3.27Å; W100-C133 WeakPolarHBondContact CA-O 3.16Å; C101-C133 PolarHBondContact N-O 3.08Å; C101-C133 PolarHBondContact O-N 2.7Å; C131-C133 PolarHBondContact O-N 3.04Å; C133-R147 HydrophobicContact CB-CG 3.57Å; C133-C149 HydrophobicContact CB-CB 3.93Å; C133-C149 WeakPolarHBondContact CB-SG 3.43Å; C133-C149 WeakPolarHBondContact SG-CB 3.49Å; C133-C149 CovalentContact SG-SG 2.03Å; C133-C149 PolarHBondContact SG-SG 2.9Å
134	V	89.9	Confident	86.7	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.4	167.3	180	0	0	0	0	109	F75 L77 I86 V88 V98 R99 V136 R147 K148	F75-V134 HydrophobicContact CE2-CG1 4.39Å; L77-V134 HydrophobicContact CD1-CB 4.21Å; L77-V134 HydrophobicContact CD1-CG2 4.26Å; L77-V134 HydrophobicContact CD2-CB 4.05Å; L77-V134 HydrophobicContact CD2-CG1 4.18Å; L77-V134 HydrophobicContact CD2-CG2 4.04Å; I86-V134 HydrophobicContact CD1-CG2 3.88Å; I86-V134 HydrophobicContact CG2-CG2 3.99Å; V88-V134 HydrophobicContact CG2-CG1 3.9Å; V88-V134 HydrophobicContact CG2-CG2 4.48Å; V98-V134 HydrophobicContact CG1-CG1 3.88Å; R99-V134 WeakPolarHBondContact O-CA 3.45Å; V134-V136 HydrophobicContact CG1-CG2 4.02Å; V134-R147 CarbonylContact O-C 3.51Å; V134-R147 VanDerWaalsContact O-CA 3.32Å; V134-R147 WeakPolarHBondContact O-CA 3.46Å; V134-K148 PolarHBondContact N-O 3.16Å; V134-K148 PolarHBondContact O-N 3.1Å
135	E	89.9	Confident	86.6	Confident	16 Å²	16	40 Å²	40	8%	0.075	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.5	175.6	-171.4	-176.9	-117.3	0	0	109.8	R99 R145 R146	R99-E135 HydrophobicContact CG-CB 4.28Å; R99-E135 IonicContact CZ-OE2 2.65Å; R99-E135 PolarHBondContact N-O 3.42Å; R99-E135 IonicContact NE-OE2 2.84Å; R99-E135 PolarHBondContact NE-OE2 3.09Å; R99-E135 IonicContact NH2-OE2 3.42Å; R99-E135 PolarHBondContact NH2-OE2 3.38Å; R99-E135 PolarHBondContact O-N 3.39Å; E135-R145 HydrophobicContact CG-CB 3.82Å; E135-R145 WeakPolarHBondContact OE2-CD 3.38Å; E135-R146 WeakPolarHBondContact CA-O 3.49Å
136	V	90.1	Very high	86.6	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.8	-178.6	-169.8	0	0	0	0	109.9	P73 F75 V88 V96 K97 V98 V134 R146	P73-V136 HydrophobicContact CB-CG1 4.29Å; P73-V136 HydrophobicContact CG-CB 4.12Å; P73-V136 HydrophobicContact CG-CG1 3.72Å; F75-V136 HydrophobicContact CD1-CB 3.76Å; F75-V136 HydrophobicContact CD1-CG1 4.37Å; F75-V136 HydrophobicContact CD1-CG2 3.66Å; F75-V136 HydrophobicContact CD2-CG2 3.86Å; F75-V136 HydrophobicContact CE1-CB 3.69Å; F75-V136 HydrophobicContact CE1-CG2 3.59Å; F75-V136 HydrophobicContact CE2-CG2 3.79Å; F75-V136 HydrophobicContact CG-CB 4.33Å; F75-V136 HydrophobicContact CG-CG2 3.79Å; F75-V136 HydrophobicContact CZ-CB 4.21Å; F75-V136 HydrophobicContact CZ-CG2 3.65Å; V88-V136 HydrophobicContact CG1-CG2 4.23Å; V96-V136 HydrophobicContact CB-CG1 3.83Å; V96-V136 HydrophobicContact CG1-CG1 4.29Å; V96-V136 HydrophobicContact CG2-CG1 3.77Å; K97-V136 WeakPolarHBondContact O-CA 3.18Å; V98-V136 HydrophobicContact CG1-CG2 4.19Å; V98-V136 HydrophobicContact CG2-CG1 4.17Å; V98-V136 HydrophobicContact CG2-CG2 4.35Å; V134-V136 HydrophobicContact CG1-CG2 4.02Å; V136-R146 PolarHBondContact N-O 2.94Å; V136-R146 PolarHBondContact O-N 3.28Å
137	Y	89.5	Confident	86.8	Confident	26 Å²	26	44.6 Å²	44.6	10%	0.102	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	152.6	179.3	57.1	-78.1	0	0	0	110.8	V96 K97 A143 R145	V96-Y137 CarbonylContact C-O 3.53Å; V96-Y137 WeakPolarHBondContact CA-O 3.4Å; V96-Y137 WeakPolarHBondContact CB-O 3.4Å; K97-Y137 HydrophobicContact CB-CD1 4.29Å; K97-Y137 HydrophobicContact CB-CD2 4.05Å; K97-Y137 HydrophobicContact CB-CE1 3.92Å; K97-Y137 HydrophobicContact CB-CE2 3.67Å; K97-Y137 HydrophobicContact CB-CG 4.34Å; K97-Y137 HydrophobicContact CD-CD2 4.33Å; K97-Y137 HydrophobicContact CD-CE2 3.6Å; K97-Y137 HydrophobicContact CG-CE2 4.25Å; K97-Y137 PolarHBondContact N-O 3.32Å; K97-Y137 PolarHBondContact O-N 2.97Å; Y137-A143 HydrophobicContact CD2-CB 4.25Å; Y137-R145 HydrophobicContact CD1-CG 4.22Å; Y137-R145 HydrophobicContact CG-CG 4.08Å
138	Y	88.8	Confident	87	Confident	35 Å²	35	45.1 Å²	45.1	14%	0.137	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	161.9	175.5	-63.6	-69.7	0	0	0	112.3	P71 P73 D94 V96 Y140 A143	P71-Y138 HydrophobicContact CB-CE2 4.28Å; P73-Y138 WeakPolarHBondContact CA-OH 3.25Å; P73-Y138 HydrophobicContact CB-CE1 4.22Å; P73-Y138 HydrophobicContact CB-CE2 4.41Å; D94-Y138 HydrophobicContact CB-CD1 4.17Å; D94-Y138 HydrophobicContact CB-CE1 3.99Å; V96-Y138 HydrophobicContact CG1-CD1 3.62Å; V96-Y138 HydrophobicContact CG1-CE1 3.88Å; V96-Y138 HydrophobicContact CG1-CG 4.42Å; Y138-Y140 VanDerWaalsContact C-N 3.3Å; Y138-Y140 VanDerWaalsContact CB-CD1 3.47Å; Y138-Y140 AromaticContact CD2-CE1 3.79Å; Y138-Y140 HydrophobicContact CD2-CE1 3.79Å; Y138-Y140 HydrophobicContact CG-CD1 4.35Å; Y138-Y140 AromaticContact CG-CE1 3.78Å; Y138-Y140 HydrophobicContact CG-CE1 3.78Å; Y138-Y140 PolarHBondContact O-N 3.27Å; Y138-A143 WeakPolarHBondContact O-CB 3.36Å
139	T	88.3	Confident	87.2	Confident	53 Å²	53	45.1 Å²	45.1	33%	0.325	21%	0.207	S	C	.	.	S	Bend	trans	-66.8	-24.9	-175.7	44.3	0	0	0	0	115.2	P95 K97 T116	P95-T139 HydrophobicContact CB-CG2 3.94Å; P95-T139 HydrophobicContact CG-CG2 4.3Å; P95-T139 WeakPolarHBondContact O-CG2 3.21Å; P95-T139 PolarHBondContact O-N 2.97Å; K97-T139 HydrophobicContact CG-CG2 4.26Å; K97-T139 PolarHBondContact NZ-O 2.83Å; T116-T139 HydrophobicContact CG2-CG2 3.9Å
140	Y	84.3	Confident	87.3	Confident	103 Å²	103	46.4 Å²	46.4	40%	0.404	22%	0.216	S	C	.	.	S	Bend	trans	-72.4	163.7	-173.4	69.3	-98.7	0	0	0	114	Y138 A143	Y138-Y140 VanDerWaalsContact C-N 3.3Å; Y138-Y140 VanDerWaalsContact CB-CD1 3.47Å; Y138-Y140 AromaticContact CD2-CE1 3.79Å; Y138-Y140 HydrophobicContact CD2-CE1 3.79Å; Y138-Y140 HydrophobicContact CG-CD1 4.35Å; Y138-Y140 AromaticContact CG-CE1 3.78Å; Y138-Y140 HydrophobicContact CG-CE1 3.78Å; Y138-Y140 PolarHBondContact O-N 3.27Å; Y140-A143 HydrophobicContact CD1-CB 4.41Å; Y140-A143 HydrophobicContact CD2-CB 4.11Å; Y140-A143 HydrophobicContact CE1-CB 4.18Å; Y140-A143 HydrophobicContact CE2-CB 3.84Å; Y140-A143 HydrophobicContact CG-CB 4.35Å; Y140-A143 WeakPolarHBondContact O-CB 3.43Å; Y140-A143 PolarHBondContact O-N 3.33Å
141	E	80.8	Confident	87.3	Confident	186 Å²	186	46.2 Å²	46.2	87%	0.869	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	140.1	-175.5	-60	-167.1	148.5	0	0	112.6	A143	E141-A143 PolarHBondContact O-N 3.47Å; E141-A143 VanDerWaalsContact O-N 3.09Å
142	D	80.8	Confident	87	Confident	114 Å²	114	51.3 Å²	51.3	61%	0.61	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	31	-170.9	-76.2	-20.5	0	0	0	115.3	R48 S144	R48-D142 VanDerWaalsContact CZ-O 3.27Å; R48-D142 PolarHBondContact NH2-O 3.44Å; D142-S144 PolarHBondContact O-N 3.42Å
143	A	84.9	Confident	86.1	Confident	3 Å²	3	58.8 Å²	58.8	3%	0.025	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-52.9	138.7	169.7	0	0	0	0	0	112	Y137 Y138 Y140 E141 R145	Y137-A143 HydrophobicContact CD2-CB 4.25Å; Y138-A143 WeakPolarHBondContact O-CB 3.36Å; Y140-A143 HydrophobicContact CD1-CB 4.41Å; Y140-A143 HydrophobicContact CD2-CB 4.11Å; Y140-A143 HydrophobicContact CE1-CB 4.18Å; Y140-A143 HydrophobicContact CE2-CB 3.84Å; Y140-A143 HydrophobicContact CG-CB 4.35Å; Y140-A143 WeakPolarHBondContact O-CB 3.43Å; Y140-A143 PolarHBondContact O-N 3.33Å; E141-A143 PolarHBondContact O-N 3.47Å; E141-A143 VanDerWaalsContact O-N 3.09Å; A143-R145 PolarHBondContact O-N 3.07Å
144	S	85.6	Confident	85.1	Confident	24 Å²	24	62 Å²	62	17%	0.168	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-72.3	129.6	-179.7	-162.9	0	0	0	0	110	P71 Q72 D142	P71-S144 WeakPolarHBondContact O-CB 3.2Å; Q72-S144 WeakPolarHBondContact CG-OG 3.3Å; Q72-S144 PolarHBondContact NE2-OG 3.3Å; D142-S144 PolarHBondContact O-N 3.42Å
145	R	86.9	Confident	83.7	Confident	120 Å²	120	67.9 Å²	67.9	45%	0.453	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-96.6	127.2	-172.4	-48.9	-167.1	178.7	82	6.9	110.4	E135 Y137 A143	E135-R145 HydrophobicContact CG-CB 3.82Å; E135-R145 WeakPolarHBondContact OE2-CD 3.38Å; Y137-R145 HydrophobicContact CD1-CG 4.22Å; Y137-R145 HydrophobicContact CG-CG 4.08Å; A143-R145 PolarHBondContact O-N 3.07Å
146	R	88.3	Confident	82.2	Confident	67 Å²	67	72.7 Å²	72.7	25%	0.253	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122.5	177	-170.7	179.8	-175.8	177.9	-6.2	109.5	Q72 P73 D74 F75 E135 V136	Q72-R146 HydrophobicContact CB-CB 4.27Å; Q72-R146 HydrophobicContact CG-CB 4.47Å; P73-R146 WeakPolarHBondContact O-CD 3.2Å; P73-R146 PolarHBondContact O-NH1 2.92Å; D74-R146 VanDerWaalsContact CA-NH1 3.35Å; D74-R146 VanDerWaalsContact CB-NH1 3.35Å; D74-R146 VanDerWaalsContact CG-CZ 3.43Å; D74-R146 VanDerWaalsContact CG-NH2 3.3Å; D74-R146 IonicContact OD1-CZ 3.82Å; D74-R146 IonicContact OD1-NH1 3.17Å; D74-R146 PolarHBondContact OD1-NH1 3.3Å; D74-R146 IonicContact OD1-NH2 2.8Å; D74-R146 PolarHBondContact OD1-NH2 3.06Å; D74-R146 IonicContact OD2-CZ 3.09Å; D74-R146 IonicContact OD2-NH1 2.69Å; D74-R146 PolarHBondContact OD2-NH1 3.19Å; D74-R146 IonicContact OD2-NH2 3.27Å; D74-R146 PolarHBondContact OD2-NH2 3.48Å; F75-R146 HydrophobicContact CE1-CB 4.09Å; F75-R146 HydrophobicContact CE1-CG 4.03Å; E135-R146 WeakPolarHBondContact CA-O 3.49Å; V136-R146 PolarHBondContact N-O 2.94Å; V136-R146 PolarHBondContact O-N 3.28Å
147	R	88.6	Confident	81.2	Confident	92 Å²	92	74.5 Å²	74.5	35%	0.347	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	138.4	-178.2	-172.8	163.8	71.5	-132.6	5.1	110.6	E103 C133 V134	E103-R147 IonicContact OE1-CZ 3.96Å; E103-R147 IonicContact OE1-NE 3.65Å; E103-R147 PolarHBondContact OE1-NE 2.85Å; E103-R147 IonicContact OE1-NH2 2.64Å; E103-R147 PolarHBondContact OE1-NH2 3.42Å; C133-R147 HydrophobicContact CB-CG 3.57Å; V134-R147 CarbonylContact O-C 3.51Å; V134-R147 VanDerWaalsContact O-CA 3.32Å; V134-R147 WeakPolarHBondContact O-CA 3.46Å
148	K	89.8	Confident	80.5	Confident	61 Å²	61	76.7 Å²	76.7	27%	0.265	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	133.9	168.6	-64.2	-176.3	-171.2	-177.4	0	108.4	D74 F75 L77 V134	D74-K148 IonicContact OD1-NZ 3.83Å; D74-K148 PolarHBondContact OD1-NZ 3.37Å; F75-K148 HydrophobicContact CD2-CD 4.24Å; F75-K148 HydrophobicContact CE1-CD 4.28Å; F75-K148 HydrophobicContact CE1-CG 4.31Å; F75-K148 HydrophobicContact CE2-CB 3.9Å; F75-K148 HydrophobicContact CE2-CD 3.73Å; F75-K148 HydrophobicContact CE2-CG 3.89Å; F75-K148 HydrophobicContact CZ-CB 3.89Å; F75-K148 HydrophobicContact CZ-CD 3.76Å; F75-K148 HydrophobicContact CZ-CG 3.58Å; F75-K148 PolarHBondContact O-NZ 3.46Å; L77-K148 HydrophobicContact CD1-CB 3.81Å; V134-K148 PolarHBondContact N-O 3.16Å; V134-K148 PolarHBondContact O-N 3.1Å
149	C	88.7	Confident	80.1	Confident	32 Å²	32	76 Å²	76	22%	0.216	38%	0.376	C	S	.	.			trans	-119.5	105	-175.2	-48.2	0	0	0	0	108.4	C133	C133-C149 HydrophobicContact CB-CB 3.93Å; C133-C149 WeakPolarHBondContact CB-SG 3.43Å; C133-C149 WeakPolarHBondContact SG-CB 3.49Å; C133-C149 CovalentContact SG-SG 2.03Å; C133-C149 PolarHBondContact SG-SG 2.9Å
150	P	88.1	Confident	79.7	Confident	29 Å²	29	80 Å²	80	19%	0.188	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-68	-50.3	-174.4	23.4	-29.5	0	0	0	111.9	L77 V79 I86 R152	L77-P150 HydrophobicContact CD1-CG 4.45Å; V79-P150 HydrophobicContact CG2-CB 3.95Å; V79-P150 HydrophobicContact CG2-CG 4.05Å; I86-P150 HydrophobicContact CD1-CG 4.43Å; P150-R152 PolarHBondContact O-N 3.2Å
151	F	85.6	Confident	79.7	Confident	5 Å²	5	76 Å²	76	2%	0.022	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-68.6	0.7	-170.2	-51.9	-68.9	0	0	0	116.4	V79 I86 I125 L128 V132 N153 E154	V79-F151 HydrophobicContact CG1-CE1 3.86Å; V79-F151 HydrophobicContact CG1-CZ 3.85Å; V79-F151 HydrophobicContact CG2-CZ 4.4Å; I86-F151 HydrophobicContact CD1-CE2 4.1Å; I86-F151 HydrophobicContact CD1-CZ 4.47Å; I125-F151 HydrophobicContact CD1-CE2 3.65Å; I125-F151 HydrophobicContact CD1-CZ 3.74Å; L128-F151 HydrophobicContact CD2-CE1 3.7Å; L128-F151 HydrophobicContact CD2-CE2 4.49Å; L128-F151 HydrophobicContact CD2-CZ 3.61Å; V132-F151 HydrophobicContact CB-CD2 3.94Å; V132-F151 HydrophobicContact CB-CE2 4.17Å; V132-F151 HydrophobicContact CG1-CD2 4.28Å; V132-F151 HydrophobicContact CG1-CE2 4.04Å; F151-N153 PolarHBondContact O-N 2.9Å; F151-E154 VanDerWaalsContact CD1-OE2 3.22Å; F151-E154 WeakPolarHBondContact CD1-OE2 3.44Å
152	R	79.9	Confident	79.8	Confident	112 Å²	112	67.5 Å²	67.5	42%	0.423	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-68.1	-32.9	-169.3	-165.2	177.5	-163.5	139.8	8	113.8	E103 P150 E183	E103-R152 IonicContact OE2-CZ 2.76Å; E103-R152 IonicContact OE2-NH1 2.66Å; E103-R152 PolarHBondContact OE2-NH1 2.78Å; E103-R152 IonicContact OE2-NH2 3.54Å; P150-R152 PolarHBondContact O-N 3.2Å; R152-E183 IonicContact CZ-OE1 3.94Å; R152-E183 VanDerWaalsContact CZ-OE1 3.27Å; R152-E183 IonicContact NE-OE1 2.69Å; R152-E183 PolarHBondContact NE-OE1 3.36Å; R152-E183 VanDerWaalsContact NE-OE1 3.09Å; R152-E183 IonicContact NE-OE2 2.85Å; R152-E183 IonicContact NH2-OE1 3.11Å; R152-E183 PolarHBondContact NH2-OE1 3.32Å
153	N	71.5	Confident	80	Confident	156 Å²	156	62.3 Å²	62.3	83%	0.834	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-110.4	3	-175.4	-66.2	-5.9	0	0	0	113	F151	F151-N153 PolarHBondContact O-N 2.9Å
154	E	66.1	Low	80	Confident	69 Å²	69	67 Å²	67	32%	0.322	32%	0.324	S	S	.	.			trans	-87.2	129.8	-170.9	-69.9	172.8	173.6	0	0	111.2	F151 L156 I157	F151-E154 VanDerWaalsContact CD1-OE2 3.22Å; F151-E154 WeakPolarHBondContact CD1-OE2 3.44Å; E154-L156 PolarHBondContact O-N 2.97Å; E154-I157 VanDerWaalsContact O-CD1 3.29Å; E154-I157 WeakPolarHBondContact O-CD1 3.48Å
155	S	61.2	Low	79.9	Confident	123 Å²	123	66.9 Å²	66.9	86%	0.86	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	4.9	174.5	57.8	0	0	0	0	113.6
156	L	59.4	Low	79.8	Confident	116 Å²	116	62.1 Å²	62.1	61%	0.607	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	3.3	-173.9	-60.7	173	0	0	0	113.4	E154 D158	E154-L156 PolarHBondContact O-N 2.97Å; L156-D158 PolarHBondContact O-N 2.89Å
157	I	69.3	Low	79.7	Confident	38 Å²	38	63.2 Å²	63.2	20%	0.195	32%	0.321	C	S	.	.			trans	-68.2	118.2	-178.3	-57.7	156.3	0	0	0	110.1	P130 E154 N159 I162	P130-I157 HydrophobicContact CB-CD1 3.84Å; P130-I157 HydrophobicContact CG-CD1 4Å; E154-I157 VanDerWaalsContact O-CD1 3.29Å; E154-I157 WeakPolarHBondContact O-CD1 3.48Å; I157-N159 PolarHBondContact O-N 2.91Å; I157-I162 HydrophobicContact CG2-CD1 3.81Å; I157-I162 HydrophobicContact CG2-CG1 4.09Å
158	D	74.3	Confident	79.5	Confident	72 Å²	72	60.7 Å²	60.7	39%	0.385	32%	0.316	S	S	.	.			trans	-68.6	114.2	173	179.5	8.6	0	0	0	111	L156 R160 E161	L156-D158 PolarHBondContact O-N 2.89Å; D158-R160 PolarHBondContact O-N 3.1Å; D158-R160 VanDerWaalsContact O-N 3.12Å; D158-R160 WeakPolarHBondContact OD1-CB 3.43Å; D158-R160 PolarHBondContact OD1-N 2.91Å; D158-R160 WeakPolarHBondContact OD2-CB 3.35Å; D158-E161 HydrophobicContact CB-CG 4.22Å; D158-E161 PolarHBondContact O-N 2.92Å
159	N	79.2	Confident	79.2	Confident	22 Å²	22	60.7 Å²	60.7	12%	0.118	32%	0.321	C	S	.	.	H	α-helix	trans	-55.5	-27.3	175.8	-71.8	-41.2	0	0	0	112.8	I157 I162 L163 I236 Q237	I157-N159 PolarHBondContact O-N 2.91Å; N159-I162 PolarHBondContact O-N 3.44Å; N159-L163 PolarHBondContact O-N 2.91Å; N159-I236 HydrophobicContact CB-CB 4.17Å; N159-I236 HydrophobicContact CB-CG2 4.01Å; N159-I236 VanDerWaalsContact OD1-CG2 3.31Å; N159-I236 WeakPolarHBondContact OD1-CG2 3.23Å; N159-Q237 PolarHBondContact ND2-OE1 3.4Å
160	R	81.1	Confident	78.8	Confident	136 Å²	136	62.1 Å²	62.1	51%	0.513	33%	0.326	S	S	.	.	H	α-helix	trans	-67.1	-34.7	176.5	-172	176.7	173.8	-93.3	4.2	112.3	D158 L163 Q164	D158-R160 PolarHBondContact O-N 3.1Å; D158-R160 VanDerWaalsContact O-N 3.12Å; D158-R160 WeakPolarHBondContact OD1-CB 3.43Å; D158-R160 PolarHBondContact OD1-N 2.91Å; D158-R160 WeakPolarHBondContact OD2-CB 3.35Å; R160-L163 PolarHBondContact O-N 3.44Å; R160-Q164 VanDerWaalsContact CZ-NE2 3.29Å; R160-Q164 WeakPolarHBondContact O-CB 3.38Å; R160-Q164 VanDerWaalsContact O-CG 3.32Å; R160-Q164 WeakPolarHBondContact O-CG 3.3Å; R160-Q164 PolarHBondContact O-N 3.4Å
161	E	82.9	Confident	78.3	Confident	18 Å²	18	66 Å²	66	8%	0.084	34%	0.337	C	S	.	.	H	α-helix	trans	-73.1	-34.5	176.7	-60.2	-142.8	139.5	0	0	112.1	K84 H127 L128 L129 D158 L163 Q164 T165	K84-E161 WeakPolarHBondContact CE-OE1 3.38Å; K84-E161 IonicContact NZ-OE1 2.83Å; K84-E161 PolarHBondContact NZ-OE1 3.22Å; K84-E161 IonicContact NZ-OE2 2.7Å; H127-E161 WeakPolarHBondContact CA-OE2 3.33Å; H127-E161 WeakPolarHBondContact CB-OE2 3.24Å; H127-E161 IonicContact ND1-OE1 3.99Å; H127-E161 IonicContact ND1-OE2 3.03Å; L128-E161 PolarHBondContact N-OE2 2.62Å; L129-E161 HydrophobicContact CD2-CB 3.97Å; D158-E161 HydrophobicContact CB-CG 4.22Å; D158-E161 PolarHBondContact O-N 2.92Å; E161-L163 VanDerWaalsContact C-N 3.3Å; E161-L163 PolarHBondContact O-N 2.79Å; E161-Q164 PolarHBondContact O-N 3.5Å; E161-T165 WeakPolarHBondContact O-CB 3.39Å; E161-T165 WeakPolarHBondContact O-CG2 3.32Å; E161-T165 PolarHBondContact O-N 3.37Å; E161-T165 PolarHBondContact O-OG1 3.35Å
162	I	84.4	Confident	77.7	Confident	9 Å²	9	72.4 Å²	72.4	5%	0.046	37%	0.371	C	S	.	.	H	α-helix	trans	-59.1	-45	171.2	-61.2	172.6	0	0	0	110.1	L129 I157 N159 T165 S166 C184 I236	L129-I162 HydrophobicContact CD2-CG1 4.19Å; I157-I162 HydrophobicContact CG2-CD1 3.81Å; I157-I162 HydrophobicContact CG2-CG1 4.09Å; N159-I162 PolarHBondContact O-N 3.44Å; I162-T165 PolarHBondContact O-OG1 3.47Å; I162-S166 PolarHBondContact O-N 3.12Å; I162-C184 HydrophobicContact CD1-CB 4.45Å; I162-C184 HydrophobicContact CG2-CB 3.75Å; I162-I236 HydrophobicContact CB-CD1 4.25Å; I162-I236 HydrophobicContact CG2-CD1 3.77Å
163	L	84.9	Confident	77.5	Confident	5 Å²	5	70 Å²	70	3%	0.026	37%	0.372	C	S	.	.	H	α-helix	trans	-68.7	-43	178.9	-74.2	167.3	0	0	0	112.5	N159 R160 E161 T165 S166 F234 I236 S239	N159-L163 PolarHBondContact O-N 2.91Å; R160-L163 PolarHBondContact O-N 3.44Å; E161-L163 VanDerWaalsContact C-N 3.3Å; E161-L163 PolarHBondContact O-N 2.79Å; L163-T165 VanDerWaalsContact C-N 3.35Å; L163-T165 PolarHBondContact O-N 2.92Å; L163-S166 PolarHBondContact O-N 3.26Å; L163-S166 PolarHBondContact O-OG 2.99Å; L163-F234 HydrophobicContact CD2-CB 3.84Å; L163-I236 HydrophobicContact CD1-CD1 4.42Å; L163-I236 HydrophobicContact CD1-CG1 4.26Å; L163-I236 HydrophobicContact CD2-CD1 3.95Å; L163-I236 HydrophobicContact CD2-CG1 4.03Å; L163-I236 HydrophobicContact CG-CD1 3.82Å; L163-I236 HydrophobicContact CG-CG1 4.1Å; L163-S239 WeakPolarHBondContact CD1-O 3.43Å
164	Q	83.7	Confident	77.9	Confident	102 Å²	102	64.9 Å²	64.9	48%	0.477	34%	0.343	S	S	.	.	H	α-helix	trans	-66.8	-32	178.4	-75.9	-179.9	-5.5	0	0	113.7	R160 E161	R160-Q164 VanDerWaalsContact CZ-NE2 3.29Å; R160-Q164 WeakPolarHBondContact O-CB 3.38Å; R160-Q164 VanDerWaalsContact O-CG 3.32Å; R160-Q164 WeakPolarHBondContact O-CG 3.3Å; R160-Q164 PolarHBondContact O-N 3.4Å; E161-Q164 PolarHBondContact O-N 3.5Å
165	T	84.7	Confident	78.8	Confident	21 Å²	21	61.7 Å²	61.7	13%	0.129	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	1.2	179.4	58.9	0	0	0	0	113.9	H127 L129 E161 I162 L163	H127-T165 HydrophobicContact CB-CG2 3.97Å; H127-T165 WeakPolarHBondContact CD2-CG2 3.44Å; L129-T165 HydrophobicContact CD1-CG2 4.11Å; L129-T165 VanDerWaalsContact CD1-OG1 3.32Å; L129-T165 WeakPolarHBondContact CD1-OG1 3.41Å; E161-T165 WeakPolarHBondContact O-CB 3.39Å; E161-T165 WeakPolarHBondContact O-CG2 3.32Å; E161-T165 PolarHBondContact O-N 3.37Å; E161-T165 PolarHBondContact O-OG1 3.35Å; I162-T165 PolarHBondContact O-OG1 3.47Å; L163-T165 VanDerWaalsContact C-N 3.35Å; L163-T165 PolarHBondContact O-N 2.92Å
166	S	84	Confident	79.9	Confident	20 Å²	20	57.3 Å²	57.3	14%	0.14	30%	0.295	C	S	.	.			trans	-78.2	141	174.3	72.8	0	0	0	0	111.8	I162 L163 W177 V178	I162-S166 PolarHBondContact O-N 3.12Å; L163-S166 PolarHBondContact O-N 3.26Å; L163-S166 PolarHBondContact O-OG 2.99Å; S166-W177 VanDerWaalsContact CB-CE2 3.48Å; S166-W177 VanDerWaalsContact CB-CZ2 3.44Å; S166-W177 VanDerWaalsContact CB-NE1 3.29Å; S166-W177 PolarHBondContact OG-NE1 3.03Å; S166-V178 WeakPolarHBondContact CA-O 3.36Å
167	T	85.3	Confident	81.2	Confident	90 Å²	90	51.8 Å²	51.8	55%	0.552	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	134	173.8	51.3	0	0	0	0	109.7	V178	T167-V178 PolarHBondContact N-O 3.13Å; T167-V178 PolarHBondContact O-N 3.46Å; T167-V178 PolarHBondContact OG1-O 3.13Å
168	V	85.4	Confident	81.9	Confident	39 Å²	39	51.9 Å²	51.9	24%	0.236	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.7	-179.9	-161.3	0	0	0	0	108.5	L175 L176 F234 L245	V168-L175 HydrophobicContact CG1-CD1 3.81Å; V168-L175 HydrophobicContact CG1-CD2 3.79Å; V168-L175 HydrophobicContact CG1-CG 3.78Å; V168-L176 WeakPolarHBondContact CA-O 3.39Å; V168-F234 HydrophobicContact CG1-CE2 4.26Å; V168-F234 HydrophobicContact CG1-CZ 3.9Å; V168-F234 HydrophobicContact CG2-CE2 4.21Å; V168-F234 HydrophobicContact CG2-CZ 4.4Å; V168-L245 HydrophobicContact CB-CD1 4.49Å; V168-L245 HydrophobicContact CG1-CD1 3.76Å
169	T	84.3	Confident	82.3	Confident	60 Å²	60	48.8 Å²	48.8	37%	0.368	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	148.7	172.5	57.3	0	0	0	0	110.5	Y171 L176	T169-Y171 WeakPolarHBondContact OG1-CE2 3.32Å; T169-L176 PolarHBondContact N-O 3.08Å; T169-L176 PolarHBondContact O-N 2.94Å
170	M	78.6	Confident	82.4	Confident	63 Å²	63	52.2 Å²	52.2	31%	0.31	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	132	-175.7	-163.1	-82.6	-82.1	0	0	109.3	L245	M170-L245 HydrophobicContact CB-CB 4.36Å; M170-L245 HydrophobicContact CB-CD1 4.28Å; M170-L245 HydrophobicContact CG-CB 4.19Å
171	Y	78.9	Confident	82.4	Confident	110 Å²	110	45.8 Å²	45.8	43%	0.431	24%	0.242	S	C	.	.			trans	-126.9	160.5	172	-55.5	-87.3	0	0	0	108.8	T169 S173 H174 L176	T169-Y171 WeakPolarHBondContact OG1-CE2 3.32Å; Y171-S173 PolarHBondContact O-N 3.5Å; Y171-H174 CarbonylContact C-O 3.58Å; Y171-H174 WeakPolarHBondContact CA-O 3.46Å; Y171-H174 WeakPolarHBondContact CB-O 3.44Å; Y171-H174 AromaticContact CD2-CD2 3.92Å; Y171-H174 AromaticContact CD2-CE1 3.96Å; Y171-H174 AromaticContact CD2-NE2 3.43Å; Y171-H174 WeakPolarHBondContact CD2-NE2 3.3Å; Y171-H174 AromaticContact CG-CE1 3.92Å; Y171-H174 AromaticContact CG-NE2 3.87Å; Y171-H174 PolarHBondContact N-O 2.87Å; Y171-H174 PolarHBondContact O-N 3.09Å; Y171-L176 HydrophobicContact CD2-CB 4.32Å; Y171-L176 HydrophobicContact CE2-CB 3.84Å; Y171-L176 HydrophobicContact CE2-CD2 4.17Å
172	D	72.8	Confident	82.2	Confident	139 Å²	139	46.3 Å²	46.3	74%	0.743	25%	0.247	S	C	*	.	S	Bend	trans	-53.5	-34.8	-167.9	-56	-58	0	0	0	114.7	K226	D172-K226 PolarHBondContact O-NZ 3.42Å
173	S	74.8	Confident	81.7	Confident	63 Å²	63	50.2 Å²	50.2	44%	0.441	27%	0.265	S	S	.	.	S	Bend	trans	-110.2	-16.7	-174.6	60.9	0	0	0	0	115.1	Y171 T221 S222	Y171-S173 PolarHBondContact O-N 3.5Å; S173-T221 PolarHBondContact O-N 3.02Å; S173-T221 PolarHBondContact O-OG1 2.89Å; S173-S222 PolarHBondContact O-N 3.45Å; S173-S222 VanDerWaalsContact O-N 3.16Å
174	H	81.1	Confident	81.3	Confident	48 Å²	48	50.4 Å²	50.4	22%	0.222	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	151.7	-175.6	65.3	-75.7	0	0	0	112.6	Y171 I219 T221	Y171-H174 CarbonylContact C-O 3.58Å; Y171-H174 WeakPolarHBondContact CA-O 3.46Å; Y171-H174 WeakPolarHBondContact CB-O 3.44Å; Y171-H174 AromaticContact CD2-CD2 3.92Å; Y171-H174 AromaticContact CD2-CE1 3.96Å; Y171-H174 AromaticContact CD2-NE2 3.43Å; Y171-H174 WeakPolarHBondContact CD2-NE2 3.3Å; Y171-H174 AromaticContact CG-CE1 3.92Å; Y171-H174 AromaticContact CG-NE2 3.87Å; Y171-H174 PolarHBondContact N-O 2.87Å; Y171-H174 PolarHBondContact O-N 3.09Å; H174-I219 CarbonylContact C-O 3.56Å; H174-I219 VanDerWaalsContact CA-O 3.32Å; H174-I219 WeakPolarHBondContact CA-O 3.49Å; H174-T221 VanDerWaalsContact CA-OG1 3.28Å; H174-T221 WeakPolarHBondContact CA-OG1 3.31Å; H174-T221 PolarHBondContact N-OG1 2.87Å
175	L	83.6	Confident	80.7	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	141.3	168.1	173.7	155.5	0	0	0	108.6	V168 W177 Q218 I219 T221 V232 F234 L245	V168-L175 HydrophobicContact CG1-CD1 3.81Å; V168-L175 HydrophobicContact CG1-CD2 3.79Å; V168-L175 HydrophobicContact CG1-CG 3.78Å; L175-W177 HydrophobicContact CD2-CB 4.13Å; L175-Q218 CarbonylContact O-C 3.57Å; L175-Q218 WeakPolarHBondContact O-CA 3.32Å; L175-I219 HydrophobicContact CB-CB 4.39Å; L175-I219 HydrophobicContact CD2-CB 4.19Å; L175-I219 HydrophobicContact CD2-CD1 4.06Å; L175-I219 HydrophobicContact CD2-CG1 4.12Å; L175-I219 PolarHBondContact N-O 2.79Å; L175-I219 PolarHBondContact O-N 2.64Å; L175-T221 HydrophobicContact CB-CG2 3.81Å; L175-V232 HydrophobicContact CD1-CB 4.4Å; L175-V232 HydrophobicContact CD1-CG2 4.05Å; L175-F234 HydrophobicContact CD1-CZ 4Å; L175-F234 HydrophobicContact CD2-CE1 3.93Å; L175-F234 HydrophobicContact CD2-CZ 3.69Å; L175-L245 HydrophobicContact CD1-CD1 3.68Å; L175-L245 HydrophobicContact CG-CD1 4.47Å
176	L	85.3	Confident	79.9	Confident	30 Å²	30	57.6 Å²	57.6	16%	0.157	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	114.6	176.2	-166	77.2	0	0	0	109.7	V168 T169 Y171 V178 A216 Q218	V168-L176 WeakPolarHBondContact CA-O 3.39Å; T169-L176 PolarHBondContact N-O 3.08Å; T169-L176 PolarHBondContact O-N 2.94Å; Y171-L176 HydrophobicContact CD2-CB 4.32Å; Y171-L176 HydrophobicContact CE2-CB 3.84Å; Y171-L176 HydrophobicContact CE2-CD2 4.17Å; L176-V178 HydrophobicContact CD2-CG2 3.92Å; L176-V178 HydrophobicContact CG-CG2 3.94Å; L176-A216 HydrophobicContact CD1-CB 3.64Å; L176-A216 HydrophobicContact CD2-CB 4.41Å; L176-A216 HydrophobicContact CG-CB 4.07Å; L176-Q218 HydrophobicContact CD1-CG 3.57Å
177	W	85.9	Confident	79.3	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.3	174	-176.2	88.1	0	0	0	110.5	S166 L175 P179 V188 L217 F234	S166-W177 VanDerWaalsContact CB-CE2 3.48Å; S166-W177 VanDerWaalsContact CB-CZ2 3.44Å; S166-W177 VanDerWaalsContact CB-NE1 3.29Å; S166-W177 PolarHBondContact OG-NE1 3.03Å; L175-W177 HydrophobicContact CD2-CB 4.13Å; W177-P179 HydrophobicContact CE3-CG 4.39Å; W177-P179 HydrophobicContact CH2-CB 3.49Å; W177-P179 VanDerWaalsContact CH2-CB 3.49Å; W177-P179 HydrophobicContact CH2-CG 3.74Å; W177-P179 HydrophobicContact CZ2-CB 4.14Å; W177-P179 HydrophobicContact CZ3-CB 3.89Å; W177-P179 VanDerWaalsContact CZ3-CD 3.43Å; W177-P179 HydrophobicContact CZ3-CG 3.57Å; W177-V188 HydrophobicContact CD2-CG1 4.36Å; W177-V188 HydrophobicContact CE3-CB 4.39Å; W177-V188 HydrophobicContact CE3-CG1 4.34Å; W177-V188 HydrophobicContact CE3-CG2 4.16Å; W177-V188 HydrophobicContact CH2-CB 4.21Å; W177-V188 HydrophobicContact CH2-CG1 4.43Å; W177-V188 HydrophobicContact CH2-CG2 3.17Å; W177-V188 HydrophobicContact CZ2-CG1 4.45Å; W177-V188 HydrophobicContact CZ2-CG2 3.81Å; W177-V188 HydrophobicContact CZ3-CB 4.03Å; W177-V188 HydrophobicContact CZ3-CG1 4.36Å; W177-V188 HydrophobicContact CZ3-CG2 3.37Å; W177-L217 HydrophobicContact CB-CB 4.32Å; W177-L217 HydrophobicContact CB-CD2 4.44Å; W177-L217 HydrophobicContact CD2-CD2 4.49Å; W177-L217 HydrophobicContact CE3-CB 4.07Å; W177-L217 HydrophobicContact CE3-CD2 3.89Å; W177-L217 PolarHBondContact N-O 3.02Å; W177-L217 PolarHBondContact O-N 3.08Å; W177-F234 HydrophobicContact CB-CD1 4.47Å; W177-F234 HydrophobicContact CB-CE1 3.84Å; W177-F234 HydrophobicContact CB-CZ 4.49Å; W177-F234 AromaticContact CD1-CD1 3.55Å; W177-F234 AromaticContact CD1-CE1 3.46Å; W177-F234 VanDerWaalsContact CD1-CE1 3.46Å; W177-F234 AromaticContact CD1-CZ 3.87Å; W177-F234 AromaticContact CG-CD1 3.98Å; W177-F234 HydrophobicContact CG-CD1 3.98Å; W177-F234 AromaticContact CG-CE1 3.78Å; W177-F234 HydrophobicContact CG-CE1 3.78Å; W177-F234 HydrophobicContact CG-CZ 4.48Å
178	V	83.9	Confident	79	Confident	40 Å²	40	59.1 Å²	59.1	24%	0.242	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	111.3	-175.5	-172.8	0	0	0	0	109.9	S166 T167 L176 A216	S166-V178 WeakPolarHBondContact CA-O 3.36Å; T167-V178 PolarHBondContact N-O 3.13Å; T167-V178 PolarHBondContact O-N 3.46Å; T167-V178 PolarHBondContact OG1-O 3.13Å; L176-V178 HydrophobicContact CD2-CG2 3.92Å; L176-V178 HydrophobicContact CG-CG2 3.94Å; V178-A216 HydrophobicContact CG2-CB 3.99Å
179	P	83.3	Confident	78.9	Confident	8 Å²	8	59.6 Å²	59.6	5%	0.052	30%	0.295	C	S	.	.			trans	-74.6	154.4	171.6	27.9	-27.6	0	0	0	110.7	W177 C181 C184 R185	W177-P179 HydrophobicContact CE3-CG 4.39Å; W177-P179 HydrophobicContact CH2-CB 3.49Å; W177-P179 VanDerWaalsContact CH2-CB 3.49Å; W177-P179 HydrophobicContact CH2-CG 3.74Å; W177-P179 HydrophobicContact CZ2-CB 4.14Å; W177-P179 HydrophobicContact CZ3-CB 3.89Å; W177-P179 VanDerWaalsContact CZ3-CD 3.43Å; W177-P179 HydrophobicContact CZ3-CG 3.57Å; P179-C181 WeakPolarHBondContact CG-O 3.37Å; P179-C181 PolarHBondContact O-N 2.93Å; P179-C184 HydrophobicContact CB-CB 4.17Å; P179-C184 HydrophobicContact CG-CB 4.45Å; P179-R185 HydrophobicContact CG-CG 3.53Å
180	K	82.4	Confident	78.9	Confident	93 Å²	93	56.8 Å²	56.8	40%	0.404	28%	0.278	S	S	.	.	S	Bend	trans	-58.2	-33	171.4	-157.5	72.9	171.6	-166.7	0	112.7	Y102 L129	Y102-K180 HydrophobicContact CD1-CG 3.74Å; Y102-K180 HydrophobicContact CD2-CG 4.45Å; Y102-K180 HydrophobicContact CE1-CG 3.74Å; Y102-K180 VanDerWaalsContact CE2-CE 3.47Å; Y102-K180 HydrophobicContact CE2-CG 4.44Å; Y102-K180 HydrophobicContact CG-CG 4.11Å; L129-K180 HydrophobicContact CD1-CB 3.81Å; L129-K180 HydrophobicContact CD1-CG 4.14Å
181	C	81.3	Confident	79.4	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.014	27%	0.27	C	S	.	.	S	Bend	trans	-114.1	123.6	-179.3	-62.2	0	0	0	0	112.2	L129 P130 C131 P179 E183 C184	L129-C181 WeakPolarHBondContact CB-SG 3.42Å; P130-C181 HydrophobicContact CG-CB 4.32Å; C131-C181 HydrophobicContact CB-CB 3.59Å; C131-C181 WeakPolarHBondContact CB-SG 3.36Å; C131-C181 PolarHBondContact N-SG 3.17Å; C131-C181 WeakPolarHBondContact SG-CA 3.47Å; C131-C181 WeakPolarHBondContact SG-CB 3.4Å; C131-C181 CovalentContact SG-SG 2.03Å; C131-C181 PolarHBondContact SG-SG 3.26Å; P179-C181 WeakPolarHBondContact CG-O 3.37Å; P179-C181 PolarHBondContact O-N 2.93Å; C181-E183 VanDerWaalsContact C-N 3.31Å; C181-E183 PolarHBondContact O-N 3.45Å; C181-C184 WeakPolarHBondContact O-CB 3.47Å; C181-C184 PolarHBondContact O-N 3.4Å
182	P	77.7	Confident	79.9	Confident	28 Å²	28	49.3 Å²	49.3	18%	0.182	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-57	-36.3	-178.3	-28.9	36.5	0	0	0	115.2	C184 R185	P182-C184 PolarHBondContact O-N 3.08Å; P182-R185 WeakPolarHBondContact O-CB 3.47Å; P182-R185 WeakPolarHBondContact O-CD 3.45Å; P182-R185 VanDerWaalsContact O-CG 3.24Å; P182-R185 WeakPolarHBondContact O-CG 3.25Å; P182-R185 PolarHBondContact O-N 3.22Å
183	E	74.5	Confident	80.6	Confident	92 Å²	92	42.7 Å²	42.7	43%	0.43	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-64.4	-23.9	-176.9	-62.1	-176.2	150	0	0	112.9	R152 C181 R185	R152-E183 IonicContact CZ-OE1 3.94Å; R152-E183 VanDerWaalsContact CZ-OE1 3.27Å; R152-E183 IonicContact NE-OE1 2.69Å; R152-E183 PolarHBondContact NE-OE1 3.36Å; R152-E183 VanDerWaalsContact NE-OE1 3.09Å; R152-E183 IonicContact NE-OE2 2.85Å; R152-E183 IonicContact NH2-OE1 3.11Å; R152-E183 PolarHBondContact NH2-OE1 3.32Å; C181-E183 VanDerWaalsContact C-N 3.31Å; C181-E183 PolarHBondContact O-N 3.45Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 2.89Å
184	C	75.3	Confident	81.3	Confident	9 Å²	9	39.8 Å²	39.8	6%	0.061	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-73.1	-15.8	-180	-61.8	0	0	0	0	113.9	I162 P179 C181 P182 K186 K187	I162-C184 HydrophobicContact CD1-CB 4.45Å; I162-C184 HydrophobicContact CG2-CB 3.75Å; P179-C184 HydrophobicContact CB-CB 4.17Å; P179-C184 HydrophobicContact CG-CB 4.45Å; C181-C184 WeakPolarHBondContact O-CB 3.47Å; C181-C184 PolarHBondContact O-N 3.4Å; P182-C184 PolarHBondContact O-N 3.08Å; C184-K186 PolarHBondContact O-N 3.23Å; C184-K186 VanDerWaalsContact O-N 3.16Å; C184-K187 PolarHBondContact O-N 3.1Å
185	R	72.4	Confident	81.6	Confident	69 Å²	69	40.6 Å²	40.6	26%	0.26	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-56.3	-35.1	-173.6	-69.1	171.9	-171.4	152.5	1.8	113.7	P179 P182 E183 K187 P215	P179-R185 HydrophobicContact CG-CG 3.53Å; P182-R185 WeakPolarHBondContact O-CB 3.47Å; P182-R185 WeakPolarHBondContact O-CD 3.45Å; P182-R185 VanDerWaalsContact O-CG 3.24Å; P182-R185 WeakPolarHBondContact O-CG 3.25Å; P182-R185 PolarHBondContact O-N 3.22Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 2.89Å; R185-K187 VanDerWaalsContact C-N 3.25Å; R185-K187 PolarHBondContact O-N 3.3Å; R185-P215 PolarHBondContact NE-O 3.13Å; R185-P215 PolarHBondContact NH1-O 2.83Å; R185-P215 PolarHBondContact NH2-O 2.92Å
186	K	67.2	Low	81.5	Confident	204 Å²	204	42.6 Å²	42.6	89%	0.887	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-77.2	1.5	-171.6	-60.6	-174.5	179.1	-177.5	0	115.3	C184	C184-K186 PolarHBondContact O-N 3.23Å; C184-K186 VanDerWaalsContact O-N 3.16Å
187	K	70.6	Confident	80.7	Confident	131 Å²	131	48.4 Å²	48.4	57%	0.57	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-116.2	1.2	-175	-64	-172.9	177.8	-177.5	0	114.5	C184 R185 I236	C184-K187 PolarHBondContact O-N 3.1Å; R185-K187 VanDerWaalsContact C-N 3.25Å; R185-K187 PolarHBondContact O-N 3.3Å; K187-I236 HydrophobicContact CB-CG2 4.1Å
188	V	79.6	Confident	79.7	Confident	11 Å²	11	55.1 Å²	55.1	7%	0.067	27%	0.268	C	S	.	.			trans	-98	141.1	-173.5	-176.3	0	0	0	0	110.8	W177 L217 F234 I236	W177-V188 HydrophobicContact CD2-CG1 4.36Å; W177-V188 HydrophobicContact CE3-CB 4.39Å; W177-V188 HydrophobicContact CE3-CG1 4.34Å; W177-V188 HydrophobicContact CE3-CG2 4.16Å; W177-V188 HydrophobicContact CH2-CB 4.21Å; W177-V188 HydrophobicContact CH2-CG1 4.43Å; W177-V188 HydrophobicContact CH2-CG2 3.17Å; W177-V188 HydrophobicContact CZ2-CG1 4.45Å; W177-V188 HydrophobicContact CZ2-CG2 3.81Å; W177-V188 HydrophobicContact CZ3-CB 4.03Å; W177-V188 HydrophobicContact CZ3-CG1 4.36Å; W177-V188 HydrophobicContact CZ3-CG2 3.37Å; V188-L217 HydrophobicContact CB-CD2 4.2Å; V188-L217 HydrophobicContact CG1-CD2 4.17Å; V188-F234 HydrophobicContact CG1-CB 4.41Å; V188-F234 HydrophobicContact CG1-CD1 4.26Å; V188-I236 HydrophobicContact CB-CG1 4.43Å; V188-I236 HydrophobicContact CG2-CD1 3.62Å; V188-I236 HydrophobicContact CG2-CG1 3.75Å
189	S	83.1	Confident	79.1	Confident	49 Å²	49	58.8 Å²	58.8	34%	0.343	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	159.6	166.2	-69.2	0	0	0	0	109.5	F234 F235	S189-F234 WeakPolarHBondContact O-CA 3.23Å; S189-F235 VanDerWaalsContact CB-CE2 3.47Å; S189-F235 PolarHBondContact N-O 3.39Å; S189-F235 VanDerWaalsContact O-CD1 3.29Å; S189-F235 WeakPolarHBondContact O-CD1 3.32Å; S189-F235 PolarHBondContact O-N 2.79Å
190	A	85.8	Confident	79	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.008	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	137	-177	0	0	0	0	0	111	T208 L209 I219 V232 Q233 F234	A190-T208 WeakPolarHBondContact O-CA 3.45Å; A190-L209 PolarHBondContact O-N 3.38Å; A190-I219 HydrophobicContact CB-CD1 3.57Å; A190-V232 HydrophobicContact CB-CG1 3.94Å; A190-Q233 WeakPolarHBondContact CA-O 3.26Å; A190-F234 HydrophobicContact CB-CD1 4.12Å; A190-F234 HydrophobicContact CB-CE1 4.29Å
191	A	87.6	Confident	79.1	Confident	17 Å²	17	58.8 Å²	58.8	14%	0.14	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	165.4	173.7	0	0	0	0	0	110.1	Q233 F235	A191-Q233 PolarHBondContact N-O 2.93Å; A191-Q233 PolarHBondContact O-N 2.96Å; A191-F235 HydrophobicContact CB-CE1 4.06Å
192	L	88.9	Confident	79.3	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	144.3	174.4	-58.9	172.6	0	0	0	110.8	I204 S207 L209 V224 I230 C231 V232 S331	L192-I204 HydrophobicContact CB-CB 4.47Å; L192-I204 HydrophobicContact CB-CD1 3.92Å; L192-I204 WeakPolarHBondContact O-CB 3.38Å; L192-I204 PolarHBondContact O-N 3.33Å; L192-S207 PolarHBondContact N-OG 3.41Å; L192-S207 PolarHBondContact O-OG 2.98Å; L192-L209 HydrophobicContact CD1-CD2 4.25Å; L192-L209 HydrophobicContact CD2-CD1 3.91Å; L192-L209 HydrophobicContact CD2-CD2 4.27Å; L192-L209 HydrophobicContact CD2-CG 4.46Å; L192-L209 HydrophobicContact CG-CD1 4.39Å; L192-L209 HydrophobicContact CG-CD2 4.1Å; L192-L209 HydrophobicContact CG-CG 4.43Å; L192-V224 HydrophobicContact CD1-CG1 3.97Å; L192-V224 HydrophobicContact CD1-CG2 4.36Å; L192-V224 HydrophobicContact CD2-CG1 3.89Å; L192-V224 HydrophobicContact CD2-CG2 4.42Å; L192-I230 HydrophobicContact CD2-CG2 4.1Å; L192-C231 WeakPolarHBondContact CA-O 3.46Å; L192-V232 HydrophobicContact CD2-CG2 4.17Å; L192-S331 WeakPolarHBondContact CD1-O 3.44Å
193	C	89.1	Confident	79.7	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	150.3	170.5	71	0	0	0	0	111.4	C201 I202 C231	C193-C201 HydrophobicContact CB-CB 3.85Å; C193-C201 WeakPolarHBondContact CB-SG 3.48Å; C193-C201 WeakPolarHBondContact SG-CB 3.18Å; C193-C201 CovalentContact SG-SG 2.04Å; C193-C201 PolarHBondContact SG-SG 2.98Å; C193-I202 CarbonylContact C-O 3.54Å; C193-I202 WeakPolarHBondContact CA-O 3.43Å; C193-I202 WeakPolarHBondContact CB-O 3.15Å; C193-C231 PolarHBondContact N-O 2.85Å; C193-C231 PolarHBondContact O-N 3Å
194	W	88.3	Confident	80.1	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.008	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.1	178.9	-177	-99.3	0	0	0	110.5	M196 C201 I202 I204 H227 Q229 I230 R334 I335	W194-M196 PolarHBondContact O-N 2.92Å; W194-C201 WeakPolarHBondContact O-CA 3.46Å; W194-I202 PolarHBondContact N-O 3.37Å; W194-I202 PolarHBondContact O-N 2.86Å; W194-I204 HydrophobicContact CB-CD1 4.45Å; W194-H227 AromaticContact CH2-CE1 3.38Å; W194-H227 WeakPolarHBondContact CH2-CE1 3.32Å; W194-H227 AromaticContact CH2-ND1 3.25Å; W194-H227 VanDerWaalsContact CH2-ND1 3.25Å; W194-H227 WeakPolarHBondContact CH2-ND1 3.39Å; W194-H227 AromaticContact CZ3-CE1 3.98Å; W194-H227 AromaticContact CZ3-ND1 3.35Å; W194-H227 WeakPolarHBondContact CZ3-ND1 3.03Å; W194-Q229 CarbonylContact C-O 3.45Å; W194-Q229 WeakPolarHBondContact CA-O 3.44Å; W194-Q229 HydrophobicContact CD2-CB 4.26Å; W194-Q229 HydrophobicContact CE3-CB 4.21Å; W194-Q229 HydrophobicContact CH2-CB 3.95Å; W194-Q229 HydrophobicContact CZ2-CB 4Å; W194-Q229 HydrophobicContact CZ3-CB 4.04Å; W194-I230 HydrophobicContact CE3-CD1 4.24Å; W194-I230 HydrophobicContact CE3-CG1 3.57Å; W194-I230 HydrophobicContact CZ3-CD1 4.07Å; W194-I230 HydrophobicContact CZ3-CG1 3.69Å; W194-R334 HydrophobicContact CE3-CB 4.41Å; W194-R334 HydrophobicContact CE3-CG 4.44Å; W194-R334 HydrophobicContact CH2-CB 3.47Å; W194-R334 VanDerWaalsContact CH2-CB 3.47Å; W194-R334 HydrophobicContact CH2-CG 3.59Å; W194-R334 HydrophobicContact CZ2-CB 3.99Å; W194-R334 HydrophobicContact CZ3-CB 3.72Å; W194-R334 HydrophobicContact CZ3-CG 3.52Å; W194-I335 HydrophobicContact CB-CD1 4.07Å; W194-I335 HydrophobicContact CB-CG1 4.41Å; W194-I335 HydrophobicContact CG-CB 4.27Å; W194-I335 HydrophobicContact CG-CD1 4.15Å; W194-I335 HydrophobicContact CG-CG1 4.1Å; W194-I335 PolarHBondContact NE1-O 2.97Å
195	K	87.5	Confident	79.9	Confident	65 Å²	65	60.1 Å²	60.1	28%	0.283	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	110	-178.3	-175.5	-177.5	179.1	-177.6	0	111.2	N199 Q229	K195-N199 WeakPolarHBondContact CE-OD1 3.42Å; K195-N199 PolarHBondContact NZ-OD1 2.86Å; K195-Q229 PolarHBondContact N-O 3.46Å
196	M	81.8	Confident	80	Confident	43 Å²	43	65 Å²	65	21%	0.212	34%	0.34	C	S	.	.			trans	-79.2	160.3	171.3	-151.8	61	169.5	0	0	111.2	W194 N198 N199 V200 I202 L283 C337	W194-M196 PolarHBondContact O-N 2.92Å; M196-N198 PolarHBondContact O-N 3.03Å; M196-N199 PolarHBondContact O-N 3.21Å; M196-V200 PolarHBondContact N-O 2.7Å; M196-I202 HydrophobicContact CB-CD1 4.39Å; M196-L283 HydrophobicContact CE-CD2 4.24Å; M196-C337 HydrophobicContact CE-CB 4.11Å
197	H	68.9	Low	80.3	Confident	153 Å²	153	55.7 Å²	55.7	71%	0.708	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-28.1	-175.6	-64.7	108.1	0	0	0	115.2	N199	H197-N199 PolarHBondContact O-N 2.83Å
198	N	65.4	Low	80.7	Confident	140 Å²	140	54 Å²	54	75%	0.749	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	21	178.5	-64	7.8	0	0	0	113.7	M196 V200	M196-N198 PolarHBondContact O-N 3.03Å; N198-V200 HydrophobicContact CB-CG2 4.33Å; N198-V200 PolarHBondContact O-N 2.88Å
199	N	69.8	Low	80.5	Confident	118 Å²	118	54.1 Å²	54.1	63%	0.631	30%	0.302	S	S	*	.	S	Bend	trans	59.4	0.9	-170.2	-66.8	-54.9	0	0	0	116.3	K195 M196 H197 C201	K195-N199 WeakPolarHBondContact CE-OD1 3.42Å; K195-N199 PolarHBondContact NZ-OD1 2.86Å; M196-N199 PolarHBondContact O-N 3.21Å; H197-N199 PolarHBondContact O-N 2.83Å; N199-C201 PolarHBondContact O-N 3.41Å
200	V	81.4	Confident	79.8	Confident	82 Å²	82	58.7 Å²	58.7	50%	0.497	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-68.2	126.3	172.4	-179.4	0	0	0	0	109.6	M196 N198	M196-V200 PolarHBondContact N-O 2.7Å; N198-V200 HydrophobicContact CB-CG2 4.33Å; N198-V200 PolarHBondContact O-N 2.88Å
201	C	86.1	Confident	78.8	Confident	18 Å²	18	61.5 Å²	61.5	12%	0.122	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	120.1	175.3	-146	0	0	0	0	110.4	C193 W194 N199 I242	C193-C201 HydrophobicContact CB-CB 3.85Å; C193-C201 WeakPolarHBondContact CB-SG 3.48Å; C193-C201 WeakPolarHBondContact SG-CB 3.18Å; C193-C201 CovalentContact SG-SG 2.04Å; C193-C201 PolarHBondContact SG-SG 2.98Å; W194-C201 WeakPolarHBondContact O-CA 3.46Å; N199-C201 PolarHBondContact O-N 3.41Å; C201-I242 HydrophobicContact CB-CD1 3.85Å; C201-I242 HydrophobicContact CB-CG2 4.33Å
202	I	85.6	Confident	77.6	Confident	10 Å²	10	62.7 Å²	62.7	5%	0.051	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120.9	-176.9	-70	152.6	0	0	0	109	C193 W194 M196 I204 L283 I335	C193-I202 CarbonylContact C-O 3.54Å; C193-I202 WeakPolarHBondContact CA-O 3.43Å; C193-I202 WeakPolarHBondContact CB-O 3.15Å; W194-I202 PolarHBondContact N-O 3.37Å; W194-I202 PolarHBondContact O-N 2.86Å; M196-I202 HydrophobicContact CB-CD1 4.39Å; I202-I204 PolarHBondContact O-N 2.73Å; I202-L283 HydrophobicContact CD1-CD1 3.64Å; I202-I335 HydrophobicContact CB-CD1 4.19Å; I202-I335 HydrophobicContact CD1-CD1 4.12Å; I202-I335 HydrophobicContact CG2-CD1 3.67Å
203	P	84.6	Confident	76.1	Confident	65 Å²	65	70.8 Å²	70.8	42%	0.422	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	135	-179.5	26.8	-34.3	0	0	0	111.2
204	I	82.9	Confident	74.5	Confident	13 Å²	13	74.8 Å²	74.8	7%	0.067	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-90.6	121	176.4	-62.8	165.6	0	0	0	107.8	L192 W194 I202 S207 R333	L192-I204 HydrophobicContact CB-CB 4.47Å; L192-I204 HydrophobicContact CB-CD1 3.92Å; L192-I204 WeakPolarHBondContact O-CB 3.38Å; L192-I204 PolarHBondContact O-N 3.33Å; W194-I204 HydrophobicContact CB-CD1 4.45Å; I202-I204 PolarHBondContact O-N 2.73Å; I204-S207 VanDerWaalsContact O-CB 3.31Å; I204-S207 WeakPolarHBondContact O-CB 3.47Å; I204-S207 PolarHBondContact O-N 3.47Å; I204-S207 PolarHBondContact O-OG 2.91Å; I204-R333 HydrophobicContact CG2-CB 4.04Å; I204-R333 HydrophobicContact CG2-CG 3.9Å
205	P	71.2	Confident	73	Confident	71 Å²	71	79.3 Å²	79.3	46%	0.461	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	144.1	-178.3	26.9	-34.6	0	0	0	111.3	S207	P205-S207 PolarHBondContact O-N 3.21Å
206	N	75.1	Confident	71.8	Confident	172 Å²	172	77.1 Å²	77.1	92%	0.92	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	33	-179.3	-56	-6.3	0	0	0	114.1
207	S	74.1	Confident	71.2	Confident	8 Å²	8	75.9 Å²	75.9	6%	0.056	43%	0.425	C	S	.	.			trans	-103.2	17.7	179.2	69.2	0	0	0	0	114.7	L192 I204 P205 L209	L192-S207 PolarHBondContact N-OG 3.41Å; L192-S207 PolarHBondContact O-OG 2.98Å; I204-S207 VanDerWaalsContact O-CB 3.31Å; I204-S207 WeakPolarHBondContact O-CB 3.47Å; I204-S207 PolarHBondContact O-N 3.47Å; I204-S207 PolarHBondContact O-OG 2.91Å; P205-S207 PolarHBondContact O-N 3.21Å; S207-L209 PolarHBondContact O-N 2.88Å
208	T	79.3	Confident	71.6	Confident	97 Å²	97	71.6 Å²	71.6	60%	0.595	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-59.8	122.2	177.4	-42.9	0	0	0	0	109.9	A190	A190-T208 WeakPolarHBondContact O-CA 3.45Å
209	L	74.1	Confident	72.1	Confident	13 Å²	13	65 Å²	65	7%	0.068	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-87.6	142.7	-172.9	-59.9	173.6	0	0	0	111.6	A190 L192 S207 T211 I219 V224 V232	A190-L209 PolarHBondContact O-N 3.38Å; L192-L209 HydrophobicContact CD1-CD2 4.25Å; L192-L209 HydrophobicContact CD2-CD1 3.91Å; L192-L209 HydrophobicContact CD2-CD2 4.27Å; L192-L209 HydrophobicContact CD2-CG 4.46Å; L192-L209 HydrophobicContact CG-CD1 4.39Å; L192-L209 HydrophobicContact CG-CD2 4.1Å; L192-L209 HydrophobicContact CG-CG 4.43Å; S207-L209 PolarHBondContact O-N 2.88Å; L209-T211 PolarHBondContact O-N 3.26Å; L209-I219 HydrophobicContact CB-CG2 3.33Å; L209-I219 HydrophobicContact CD1-CG2 3.56Å; L209-I219 HydrophobicContact CG-CG2 4.07Å; L209-V224 HydrophobicContact CD2-CG2 3.8Å; L209-V232 HydrophobicContact CD1-CG1 4.28Å; L209-V232 HydrophobicContact CD1-CG2 4.38Å
210	E	67.9	Low	72.5	Confident	145 Å²	145	64.1 Å²	64.1	68%	0.678	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-66	128.6	176.4	-65.5	-175.4	153.3	0	0	111.4	K220	E210-K220 PolarHBondContact O-N 3.32Å
211	T	65.6	Low	72.4	Confident	60 Å²	60	60.3 Å²	60.3	37%	0.368	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-107.1	127.5	178.1	54.7	0	0	0	0	111	L209 L217 Q218 I219	L209-T211 PolarHBondContact O-N 3.26Å; T211-L217 HydrophobicContact CG2-CD1 3.84Å; T211-L217 HydrophobicContact CG2-CD2 4.16Å; T211-L217 HydrophobicContact CG2-CG 4.03Å; T211-Q218 WeakPolarHBondContact CA-O 3.31Å; T211-I219 HydrophobicContact CG2-CD1 4.48Å; T211-I219 HydrophobicContact CG2-CG1 4.35Å
212	S	62.6	Low	72.1	Confident	41 Å²	41	62.7 Å²	62.7	29%	0.287	35%	0.354	S	S	.	.			trans	-79.7	152.3	169.2	84.4	0	0	0	0	111.6	D214 Q218	S212-D214 PolarHBondContact O-N 3.09Å; S212-Q218 PolarHBondContact N-O 2.78Å
213	N	56.9	Low	71.9	Confident	170 Å²	170	64.9 Å²	64.9	91%	0.909	37%	0.368	S	S	*	.			trans	-87.1	30.7	178.9	-73.7	-47.8	0	0	0	113.1
214	D	56.7	Low	71.9	Confident	84 Å²	84	62.1 Å²	62.1	45%	0.449	35%	0.349	S	S	.	.	S	Bend	trans	-73.3	170.2	178.1	-103.6	-39.6	0	0	0	112.7	S212 A216 Q218	S212-D214 PolarHBondContact O-N 3.09Å; D214-A216 PolarHBondContact O-N 3.46Å; D214-Q218 PolarHBondContact OD2-NE2 2.89Å
215	P	56.8	Low	72	Confident	98 Å²	98	61.6 Å²	61.6	64%	0.636	35%	0.347	S	S	*	.	S	Bend	trans	-65.7	-3.4	179.3	27.1	-34.9	0	0	0	114.3	R185	R185-P215 PolarHBondContact NE-O 3.13Å; R185-P215 PolarHBondContact NH1-O 2.83Å; R185-P215 PolarHBondContact NH2-O 2.92Å
216	A	61.6	Low	72.7	Confident	18 Å²	18	60.8 Å²	60.8	15%	0.149	34%	0.336	C	S	.	.	S	Bend	trans	-138.5	148.8	162.9	0	0	0	0	0	108.4	L176 V178 D214 Q218	L176-A216 HydrophobicContact CD1-CB 3.64Å; L176-A216 HydrophobicContact CD2-CB 4.41Å; L176-A216 HydrophobicContact CG-CB 4.07Å; V178-A216 HydrophobicContact CG2-CB 3.99Å; D214-A216 PolarHBondContact O-N 3.46Å; A216-Q218 PolarHBondContact O-N 3.45Å
217	L	69.8	Low	73.3	Confident	18 Å²	18	53.3 Å²	53.3	9%	0.094	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	93.1	-173.3	-166.7	77.1	0	0	0	109.1	W177 V188 T211 I219	W177-L217 HydrophobicContact CB-CB 4.32Å; W177-L217 HydrophobicContact CB-CD2 4.44Å; W177-L217 HydrophobicContact CD2-CD2 4.49Å; W177-L217 HydrophobicContact CE3-CB 4.07Å; W177-L217 HydrophobicContact CE3-CD2 3.89Å; W177-L217 PolarHBondContact N-O 3.02Å; W177-L217 PolarHBondContact O-N 3.08Å; V188-L217 HydrophobicContact CB-CD2 4.2Å; V188-L217 HydrophobicContact CG1-CD2 4.17Å; T211-L217 HydrophobicContact CG2-CD1 3.84Å; T211-L217 HydrophobicContact CG2-CD2 4.16Å; T211-L217 HydrophobicContact CG2-CG 4.03Å; L217-I219 HydrophobicContact CD2-CD1 4.16Å; L217-I219 HydrophobicContact CD2-CG1 4.5Å; L217-I219 HydrophobicContact CG-CG1 4.35Å
218	Q	75.6	Confident	73.9	Confident	63 Å²	63	55 Å²	55	29%	0.294	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	131.5	172.3	-61.1	165.3	31.5	0	0	108.9	L175 L176 T211 S212 D214 A216	L175-Q218 CarbonylContact O-C 3.57Å; L175-Q218 WeakPolarHBondContact O-CA 3.32Å; L176-Q218 HydrophobicContact CD1-CG 3.57Å; T211-Q218 WeakPolarHBondContact CA-O 3.31Å; S212-Q218 PolarHBondContact N-O 2.78Å; D214-Q218 PolarHBondContact OD2-NE2 2.89Å; A216-Q218 PolarHBondContact O-N 3.45Å
219	I	76.2	Confident	74.3	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	117.1	-179.6	-51.6	-165.9	0	0	0	107.2	H174 L175 A190 L209 T211 L217 T221 F234	H174-I219 CarbonylContact C-O 3.56Å; H174-I219 VanDerWaalsContact CA-O 3.32Å; H174-I219 WeakPolarHBondContact CA-O 3.49Å; L175-I219 HydrophobicContact CB-CB 4.39Å; L175-I219 HydrophobicContact CD2-CB 4.19Å; L175-I219 HydrophobicContact CD2-CD1 4.06Å; L175-I219 HydrophobicContact CD2-CG1 4.12Å; L175-I219 PolarHBondContact N-O 2.79Å; L175-I219 PolarHBondContact O-N 2.64Å; A190-I219 HydrophobicContact CB-CD1 3.57Å; L209-I219 HydrophobicContact CB-CG2 3.33Å; L209-I219 HydrophobicContact CD1-CG2 3.56Å; L209-I219 HydrophobicContact CG-CG2 4.07Å; T211-I219 HydrophobicContact CG2-CD1 4.48Å; T211-I219 HydrophobicContact CG2-CG1 4.35Å; L217-I219 HydrophobicContact CD2-CD1 4.16Å; L217-I219 HydrophobicContact CD2-CG1 4.5Å; L217-I219 HydrophobicContact CG-CG1 4.35Å; I219-T221 PolarHBondContact O-N 3.21Å; I219-F234 HydrophobicContact CD1-CD1 4.49Å; I219-F234 HydrophobicContact CD1-CE1 3.82Å
220	K	78.6	Confident	74.9	Confident	101 Å²	101	52.1 Å²	52.1	44%	0.439	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	116.6	-171.9	-170.6	176.5	178.7	-175.5	0	110.6	E210 S222	E210-K220 PolarHBondContact O-N 3.32Å; K220-S222 WeakPolarHBondContact CE-OG 3.39Å
221	T	79	Confident	75.9	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	25%	0.254	C	S	.	.			trans	-102.8	-6	-179.6	55.4	0	0	0	0	113	S173 H174 L175 I219 T223 V224 F246	S173-T221 PolarHBondContact O-N 3.02Å; S173-T221 PolarHBondContact O-OG1 2.89Å; H174-T221 VanDerWaalsContact CA-OG1 3.28Å; H174-T221 WeakPolarHBondContact CA-OG1 3.31Å; H174-T221 PolarHBondContact N-OG1 2.87Å; L175-T221 HydrophobicContact CB-CG2 3.81Å; I219-T221 PolarHBondContact O-N 3.21Å; T221-T223 PolarHBondContact O-N 3.21Å; T221-T223 VanDerWaalsContact O-N 3.1Å; T221-V224 WeakPolarHBondContact O-CB 3.25Å; T221-V224 PolarHBondContact O-N 2.86Å; T221-F246 HydrophobicContact CG2-CZ 4.22Å
222	S	79.4	Confident	77	Confident	69 Å²	69	42.5 Å²	42.5	48%	0.483	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.9	-180	73.7	0	0	0	0	114.9	S173 K220	S173-S222 PolarHBondContact O-N 3.45Å; S173-S222 VanDerWaalsContact O-N 3.16Å; K220-S222 WeakPolarHBondContact CE-OG 3.39Å
223	T	81.3	Confident	78.2	Confident	55 Å²	55	42.1 Å²	42.1	34%	0.337	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	3.5	176.8	52	0	0	0	0	112.9	T221 L330 S331	T221-T223 PolarHBondContact O-N 3.21Å; T221-T223 VanDerWaalsContact O-N 3.1Å; T223-L330 CarbonylContact O-C 3.59Å; T223-L330 WeakPolarHBondContact O-CA 3.3Å; T223-S331 PolarHBondContact O-N 2.85Å
224	V	86	Confident	79.6	Confident	7 Å²	7	34.1 Å²	34.1	4%	0.042	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-89.6	140.4	-177.9	176.9	0	0	0	0	110.3	L192 L209 T221 K226 I230 F246 S331	L192-V224 HydrophobicContact CD1-CG1 3.97Å; L192-V224 HydrophobicContact CD1-CG2 4.36Å; L192-V224 HydrophobicContact CD2-CG1 3.89Å; L192-V224 HydrophobicContact CD2-CG2 4.42Å; L209-V224 HydrophobicContact CD2-CG2 3.8Å; T221-V224 WeakPolarHBondContact O-CB 3.25Å; T221-V224 PolarHBondContact O-N 2.86Å; V224-K226 PolarHBondContact O-N 2.97Å; V224-K226 VanDerWaalsContact O-N 3.12Å; V224-I230 HydrophobicContact CG1-CG2 4.3Å; V224-F246 HydrophobicContact CG1-CE2 4.12Å; V224-F246 HydrophobicContact CG1-CZ 4.23Å; V224-S331 WeakPolarHBondContact CA-O 3.28Å
225	D	85.4	Confident	80.9	Confident	3 Å²	3	33.5 Å²	33.5	2%	0.016	18%	0.181	C	C	.	.			trans	-65.7	107.6	169.3	-179.6	35.3	0	0	0	109.7	H227 I230 W253 L330 S331 R334	D225-H227 PolarHBondContact O-N 2.81Å; D225-I230 HydrophobicContact CB-CD1 3.79Å; D225-I230 WeakPolarHBondContact O-CD1 3.35Å; D225-I230 WeakPolarHBondContact OD2-CD1 3.42Å; D225-W253 PolarHBondContact OD1-NE1 2.87Å; D225-W253 WeakPolarHBondContact OD2-CZ2 3.47Å; D225-L330 HydrophobicContact CB-CB 4.37Å; D225-L330 HydrophobicContact CB-CD1 4.37Å; D225-S331 PolarHBondContact N-O 3.08Å; D225-S331 VanDerWaalsContact N-O 3.07Å; D225-R334 IonicContact OD1-CZ 2.64Å; D225-R334 IonicContact OD1-NE 3.18Å; D225-R334 IonicContact OD1-NH2 2.65Å; D225-R334 PolarHBondContact OD1-NH2 3.38Å; D225-R334 IonicContact OD2-CZ 3.86Å; D225-R334 IonicContact OD2-NE 2.77Å; D225-R334 PolarHBondContact OD2-NE 2.95Å; D225-R334 IonicContact OD2-NH2 2.82Å; D225-R334 PolarHBondContact OD2-NH2 3.29Å
226	K	85.9	Confident	82.1	Confident	53 Å²	53	28.9 Å²	28.9	23%	0.23	15%	0.151	C	C	.	.			trans	-78.3	106.8	-178.7	-66.7	-170.1	173.2	-160.4	0	109.8	D172 V224 F246 D249 P251	D172-K226 PolarHBondContact O-NZ 3.42Å; V224-K226 PolarHBondContact O-N 2.97Å; V224-K226 VanDerWaalsContact O-N 3.12Å; K226-F246 HydrophobicContact CG-CD1 4.21Å; K226-F246 HydrophobicContact CG-CE1 4.25Å; K226-D249 IonicContact NZ-OD2 3.56Å; K226-P251 WeakPolarHBondContact O-CA 3.19Å; K226-P251 WeakPolarHBondContact O-CB 3.37Å
227	H	86.9	Confident	83	Confident	15 Å²	15	34.6 Å²	34.6	7%	0.069	18%	0.175	C	C	.	.			trans	-149	140.4	-178.1	-171.9	-106.6	0	0	0	111.2	W194 D225 Q229 I230 R334	W194-H227 AromaticContact CH2-CE1 3.38Å; W194-H227 WeakPolarHBondContact CH2-CE1 3.32Å; W194-H227 AromaticContact CH2-ND1 3.25Å; W194-H227 VanDerWaalsContact CH2-ND1 3.25Å; W194-H227 WeakPolarHBondContact CH2-ND1 3.39Å; W194-H227 AromaticContact CZ3-CE1 3.98Å; W194-H227 AromaticContact CZ3-ND1 3.35Å; W194-H227 WeakPolarHBondContact CZ3-ND1 3.03Å; D225-H227 PolarHBondContact O-N 2.81Å; H227-Q229 PolarHBondContact CE1-OE1 2.86Å; H227-Q229 PolarHBondContact ND1-N 3.16Å; H227-Q229 PolarHBondContact O-N 3.47Å; H227-Q229 VanDerWaalsContact O-N 3.08Å; H227-I230 HydrophobicContact CB-CB 4.43Å; H227-I230 HydrophobicContact CB-CD1 4.04Å; H227-I230 HydrophobicContact CB-CG1 4.2Å; H227-I230 PolarHBondContact O-N 3.37Å; H227-R334 VanDerWaalsContact CD2-CZ 3.5Å; H227-R334 PolarHBondContact CD2-NH1 3.29Å; H227-R334 VanDerWaalsContact CD2-NH1 3.34Å
228	P	86.6	Confident	83.3	Confident	43 Å²	43	41.1 Å²	41.1	28%	0.279	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-24.1	-178.9	-30	37.4	0	0	0	115.9
229	Q	87.3	Confident	83.6	Confident	51 Å²	51	39.5 Å²	39.5	24%	0.238	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	0.6	174.4	-64.9	175.4	-35.2	0	0	113.8	W194 K195 H227	W194-Q229 CarbonylContact C-O 3.45Å; W194-Q229 WeakPolarHBondContact CA-O 3.44Å; W194-Q229 HydrophobicContact CD2-CB 4.26Å; W194-Q229 HydrophobicContact CE3-CB 4.21Å; W194-Q229 HydrophobicContact CH2-CB 3.95Å; W194-Q229 HydrophobicContact CZ2-CB 4Å; W194-Q229 HydrophobicContact CZ3-CB 4.04Å; K195-Q229 PolarHBondContact N-O 3.46Å; H227-Q229 PolarHBondContact CE1-OE1 2.86Å; H227-Q229 PolarHBondContact ND1-N 3.16Å; H227-Q229 PolarHBondContact O-N 3.47Å; H227-Q229 VanDerWaalsContact O-N 3.08Å
230	I	87.6	Confident	84.1	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	130	171.6	-73.1	173.3	0	0	0	109.2	L192 W194 V224 D225 H227 F246	L192-I230 HydrophobicContact CD2-CG2 4.1Å; W194-I230 HydrophobicContact CE3-CD1 4.24Å; W194-I230 HydrophobicContact CE3-CG1 3.57Å; W194-I230 HydrophobicContact CZ3-CD1 4.07Å; W194-I230 HydrophobicContact CZ3-CG1 3.69Å; V224-I230 HydrophobicContact CG1-CG2 4.3Å; D225-I230 HydrophobicContact CB-CD1 3.79Å; D225-I230 WeakPolarHBondContact O-CD1 3.35Å; D225-I230 WeakPolarHBondContact OD2-CD1 3.42Å; H227-I230 HydrophobicContact CB-CB 4.43Å; H227-I230 HydrophobicContact CB-CD1 4.04Å; H227-I230 HydrophobicContact CB-CG1 4.2Å; H227-I230 PolarHBondContact O-N 3.37Å; I230-F246 HydrophobicContact CB-CD2 4.45Å; I230-F246 HydrophobicContact CG2-CD2 4.16Å; I230-F246 HydrophobicContact CG2-CE2 4.15Å; I230-F246 WeakPolarHBondContact O-CD2 3.44Å
231	C	88.3	Confident	84.4	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	156.8	178	-50.2	0	0	0	0	110.3	L192 C193 I242 S243 C244	L192-C231 WeakPolarHBondContact CA-O 3.46Å; C193-C231 PolarHBondContact N-O 2.85Å; C193-C231 PolarHBondContact O-N 3Å; C231-I242 HydrophobicContact CB-CG2 3.82Å; C231-S243 WeakPolarHBondContact CA-O 3.25Å; C231-S243 WeakPolarHBondContact CB-O 3.45Å; C231-C244 HydrophobicContact CB-CB 3.95Å; C231-C244 WeakPolarHBondContact CB-SG 3.4Å; C231-C244 WeakPolarHBondContact SG-CB 3.38Å; C231-C244 CovalentContact SG-SG 2.04Å; C231-C244 PolarHBondContact SG-SG 3.44Å
232	V	88	Confident	84.8	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.018	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.5	174.6	-176.8	0	0	0	0	108.7	L175 A190 L192 L209 F234 S243	L175-V232 HydrophobicContact CD1-CB 4.4Å; L175-V232 HydrophobicContact CD1-CG2 4.05Å; A190-V232 HydrophobicContact CB-CG1 3.94Å; L192-V232 HydrophobicContact CD2-CG2 4.17Å; L209-V232 HydrophobicContact CD1-CG1 4.28Å; L209-V232 HydrophobicContact CD1-CG2 4.38Å; V232-F234 HydrophobicContact CB-CE2 4.18Å; V232-F234 HydrophobicContact CB-CZ 4.25Å; V232-F234 HydrophobicContact CG1-CD2 4.42Å; V232-F234 HydrophobicContact CG1-CE1 4.05Å; V232-F234 HydrophobicContact CG1-CE2 3.89Å; V232-F234 HydrophobicContact CG1-CZ 3.68Å; V232-S243 PolarHBondContact N-O 2.9Å; V232-S243 PolarHBondContact O-N 2.31Å
233	Q	88.1	Confident	85	Confident	32 Å²	32	43.4 Å²	43.4	15%	0.15	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	110.8	174.6	-174.5	173.3	3.6	0	0	108.9	A190 A191 H240 S241 I242	A190-Q233 WeakPolarHBondContact CA-O 3.26Å; A191-Q233 PolarHBondContact N-O 2.93Å; A191-Q233 PolarHBondContact O-N 2.96Å; Q233-H240 HydrophobicContact CG-CB 4.14Å; Q233-H240 PolarHBondContact NE2-CD2 2.95Å; Q233-S241 CarbonylContact C-O 3.58Å; Q233-S241 WeakPolarHBondContact CA-O 3.42Å; Q233-I242 HydrophobicContact CB-CG1 4.41Å; Q233-I242 HydrophobicContact CG-CG1 4.12Å
234	F	86.7	Confident	85.2	Confident	2 Å²	2	43 Å²	43	1%	0.009	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	134.4	172.4	-57.2	-87.2	0	0	0	108.8	L163 V168 L175 W177 V188 S189 A190 I219 V232 H240 S241	L163-F234 HydrophobicContact CD2-CB 3.84Å; V168-F234 HydrophobicContact CG1-CE2 4.26Å; V168-F234 HydrophobicContact CG1-CZ 3.9Å; V168-F234 HydrophobicContact CG2-CE2 4.21Å; V168-F234 HydrophobicContact CG2-CZ 4.4Å; L175-F234 HydrophobicContact CD1-CZ 4Å; L175-F234 HydrophobicContact CD2-CE1 3.93Å; L175-F234 HydrophobicContact CD2-CZ 3.69Å; W177-F234 HydrophobicContact CB-CD1 4.47Å; W177-F234 HydrophobicContact CB-CE1 3.84Å; W177-F234 HydrophobicContact CB-CZ 4.49Å; W177-F234 AromaticContact CD1-CD1 3.55Å; W177-F234 AromaticContact CD1-CE1 3.46Å; W177-F234 VanDerWaalsContact CD1-CE1 3.46Å; W177-F234 AromaticContact CD1-CZ 3.87Å; W177-F234 AromaticContact CG-CD1 3.98Å; W177-F234 HydrophobicContact CG-CD1 3.98Å; W177-F234 AromaticContact CG-CE1 3.78Å; W177-F234 HydrophobicContact CG-CE1 3.78Å; W177-F234 HydrophobicContact CG-CZ 4.48Å; V188-F234 HydrophobicContact CG1-CB 4.41Å; V188-F234 HydrophobicContact CG1-CD1 4.26Å; S189-F234 WeakPolarHBondContact O-CA 3.23Å; A190-F234 HydrophobicContact CB-CD1 4.12Å; A190-F234 HydrophobicContact CB-CE1 4.29Å; I219-F234 HydrophobicContact CD1-CD1 4.49Å; I219-F234 HydrophobicContact CD1-CE1 3.82Å; V232-F234 HydrophobicContact CB-CE2 4.18Å; V232-F234 HydrophobicContact CB-CZ 4.25Å; V232-F234 HydrophobicContact CG1-CD2 4.42Å; V232-F234 HydrophobicContact CG1-CE1 4.05Å; V232-F234 HydrophobicContact CG1-CE2 3.89Å; V232-F234 HydrophobicContact CG1-CZ 3.68Å; F234-H240 CarbonylContact O-C 3.5Å; F234-H240 WeakPolarHBondContact O-CA 3.43Å; F234-H240 WeakPolarHBondContact O-CB 3.28Å; F234-S241 PolarHBondContact N-O 3.08Å; F234-S241 PolarHBondContact O-N 3.07Å
235	F	84.3	Confident	84.7	Confident	72 Å²	72	45.2 Å²	45.2	32%	0.316	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.2	178.7	58.9	-81.3	0	0	0	112.3	S189 A191 S239 H240	S189-F235 VanDerWaalsContact CB-CE2 3.47Å; S189-F235 PolarHBondContact N-O 3.39Å; S189-F235 VanDerWaalsContact O-CD1 3.29Å; S189-F235 WeakPolarHBondContact O-CD1 3.32Å; S189-F235 PolarHBondContact O-N 2.79Å; A191-F235 HydrophobicContact CB-CE1 4.06Å; F235-S239 WeakPolarHBondContact CA-O 3.42Å; F235-H240 HydrophobicContact CB-CB 4.4Å
236	I	82.2	Confident	84.3	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	103	174.1	-54.3	-178.6	0	0	0	106.4	N159 I162 L163 K187 V188 D238 S239	N159-I236 HydrophobicContact CB-CB 4.17Å; N159-I236 HydrophobicContact CB-CG2 4.01Å; N159-I236 VanDerWaalsContact OD1-CG2 3.31Å; N159-I236 WeakPolarHBondContact OD1-CG2 3.23Å; I162-I236 HydrophobicContact CB-CD1 4.25Å; I162-I236 HydrophobicContact CG2-CD1 3.77Å; L163-I236 HydrophobicContact CD1-CD1 4.42Å; L163-I236 HydrophobicContact CD1-CG1 4.26Å; L163-I236 HydrophobicContact CD2-CD1 3.95Å; L163-I236 HydrophobicContact CD2-CG1 4.03Å; L163-I236 HydrophobicContact CG-CD1 3.82Å; L163-I236 HydrophobicContact CG-CG1 4.1Å; K187-I236 HydrophobicContact CB-CG2 4.1Å; V188-I236 HydrophobicContact CB-CG1 4.43Å; V188-I236 HydrophobicContact CG2-CD1 3.62Å; V188-I236 HydrophobicContact CG2-CG1 3.75Å; I236-D238 PolarHBondContact O-N 3.4Å; I236-S239 PolarHBondContact N-O 3.43Å; I236-S239 PolarHBondContact O-N 3.25Å; I236-S239 VanDerWaalsContact O-N 3.08Å
237	Q	79.5	Confident	83.6	Confident	138 Å²	138	47.9 Å²	47.9	65%	0.645	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	-125.4	-169.4	-56.4	174.1	-75.2	0	0	108.9	N159	N159-Q237 PolarHBondContact ND2-OE1 3.4Å
238	D	76	Confident	82.7	Confident	154 Å²	154	54.1 Å²	54.1	82%	0.824	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-13.7	-178.3	-45	-76.9	0	0	0	114	I236	I236-D238 PolarHBondContact O-N 3.4Å
239	S	83	Confident	82	Confident	30 Å²	30	54.1 Å²	54.1	21%	0.21	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	136.9	-179.3	-69.6	0	0	0	0	111.7	L163 F235 I236	L163-S239 WeakPolarHBondContact CD1-O 3.43Å; F235-S239 WeakPolarHBondContact CA-O 3.42Å; I236-S239 PolarHBondContact N-O 3.43Å; I236-S239 PolarHBondContact O-N 3.25Å; I236-S239 VanDerWaalsContact O-N 3.08Å
240	H	85.1	Confident	81.4	Confident	112 Å²	112	61 Å²	61	52%	0.519	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	156.8	178.9	63.2	-91.7	0	0	0	113.5	Q233 F234 F235	Q233-H240 HydrophobicContact CG-CB 4.14Å; Q233-H240 PolarHBondContact NE2-CD2 2.95Å; F234-H240 CarbonylContact O-C 3.5Å; F234-H240 WeakPolarHBondContact O-CA 3.43Å; F234-H240 WeakPolarHBondContact O-CB 3.28Å; F235-H240 HydrophobicContact CB-CB 4.4Å
241	S	85.8	Confident	81.2	Confident	43 Å²	43	62.8 Å²	62.8	30%	0.301	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	143.5	173.8	-176.8	0	0	0	0	109.9	Q233 F234	Q233-S241 CarbonylContact C-O 3.58Å; Q233-S241 WeakPolarHBondContact CA-O 3.42Å; F234-S241 PolarHBondContact N-O 3.08Å; F234-S241 PolarHBondContact O-N 3.07Å
242	I	86.8	Confident	80.8	Confident	73 Å²	73	66.4 Å²	66.4	37%	0.374	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129.7	-172.1	-60.9	161.5	0	0	0	109.2	C201 C231 Q233	C201-I242 HydrophobicContact CB-CD1 3.85Å; C201-I242 HydrophobicContact CB-CG2 4.33Å; C231-I242 HydrophobicContact CB-CG2 3.82Å; Q233-I242 HydrophobicContact CB-CG1 4.41Å; Q233-I242 HydrophobicContact CG-CG1 4.12Å
243	S	85.2	Confident	80.8	Confident	24 Å²	24	66.5 Å²	66.5	17%	0.168	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	119.7	177.1	-161.4	0	0	0	0	110.8	C231 V232 L245	C231-S243 WeakPolarHBondContact CA-O 3.25Å; C231-S243 WeakPolarHBondContact CB-O 3.45Å; V232-S243 PolarHBondContact N-O 2.9Å; V232-S243 PolarHBondContact O-N 2.31Å; S243-L245 WeakPolarHBondContact OG-CG 3.48Å
244	C	85.6	Confident	80.7	Confident	47 Å²	47	69.5 Å²	69.5	32%	0.318	36%	0.362	S	S	.	.			trans	-107	93.9	-178.3	-59	0	0	0	0	109.3	C231	C231-C244 HydrophobicContact CB-CB 3.95Å; C231-C244 WeakPolarHBondContact CB-SG 3.4Å; C231-C244 WeakPolarHBondContact SG-CB 3.38Å; C231-C244 CovalentContact SG-SG 2.04Å; C231-C244 PolarHBondContact SG-SG 3.44Å
245	L	74.6	Confident	80.8	Confident	54 Å²	54	69.9 Å²	69.9	28%	0.283	37%	0.365	S	S	.	.			trans	-105	-17	-168.2	-61.3	171.7	0	0	0	113.9	V168 M170 L175 S243 N247	V168-L245 HydrophobicContact CB-CD1 4.49Å; V168-L245 HydrophobicContact CG1-CD1 3.76Å; M170-L245 HydrophobicContact CB-CB 4.36Å; M170-L245 HydrophobicContact CB-CD1 4.28Å; M170-L245 HydrophobicContact CG-CB 4.19Å; L175-L245 HydrophobicContact CD1-CD1 3.68Å; L175-L245 HydrophobicContact CG-CD1 4.47Å; S243-L245 WeakPolarHBondContact OG-CG 3.48Å; L245-N247 PolarHBondContact O-N 3.03Å
246	F	77.4	Confident	81	Confident	3 Å²	3	70.6 Å²	70.6	1%	0.013	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-82.8	16.6	179.6	-52.5	-60.8	0	0	0	113.8	T221 V224 K226 I230 N248 D249	T221-F246 HydrophobicContact CG2-CZ 4.22Å; V224-F246 HydrophobicContact CG1-CE2 4.12Å; V224-F246 HydrophobicContact CG1-CZ 4.23Å; K226-F246 HydrophobicContact CG-CD1 4.21Å; K226-F246 HydrophobicContact CG-CE1 4.25Å; I230-F246 HydrophobicContact CB-CD2 4.45Å; I230-F246 HydrophobicContact CG2-CD2 4.16Å; I230-F246 HydrophobicContact CG2-CE2 4.15Å; I230-F246 WeakPolarHBondContact O-CD2 3.44Å; F246-N248 PolarHBondContact O-N 3.5Å; F246-D249 PolarHBondContact O-N 3.22Å
247	N	69.9	Low	81.2	Confident	108 Å²	108	72.2 Å²	72.2	58%	0.578	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-65.7	-21.1	-172.8	-170.7	85	0	0	0	113.9	L245	L245-N247 PolarHBondContact O-N 3.03Å
248	N	68.1	Low	81.4	Confident	147 Å²	147	67.9 Å²	67.9	79%	0.786	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-105.4	-6.7	179.7	-61.8	-3.5	0	0	0	112.9	F246	F246-N248 PolarHBondContact O-N 3.5Å
249	D	72.8	Confident	81.6	Confident	42 Å²	42	65.5 Å²	65.5	23%	0.225	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-81	131.4	-178.6	-75	-4.8	0	0	0	109.9	K226 F246	K226-D249 IonicContact NZ-OD2 3.56Å; F246-D249 PolarHBondContact O-N 3.22Å
250	K	75.4	Confident	81.5	Confident	195 Å²	195	67.3 Å²	67.3	85%	0.848	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-75.8	127.5	169.6	-69.6	-175.6	178.4	-179.3	0	109.1
251	P	81.7	Confident	80.8	Confident	38 Å²	38	73.2 Å²	73.2	25%	0.247	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-69.9	147.9	179.9	30.9	-35.9	0	0	0	111.2	K226 W253	K226-P251 WeakPolarHBondContact O-CA 3.19Å; K226-P251 WeakPolarHBondContact O-CB 3.37Å; P251-W253 VanDerWaalsContact C-N 3.28Å; P251-W253 WeakPolarHBondContact CB-O 3.36Å; P251-W253 PolarHBondContact O-N 3.5Å
252	T	81.6	Confident	80.4	Confident	76 Å²	76	78.8 Å²	78.8	47%	0.466	40%	0.402	S	S	.	.	S	Bend	trans	-75.9	-17	-179.5	48.6	0	0	0	0	113.6	T271	T252-T271 PolarHBondContact O-N 3.32Å; T252-T271 PolarHBondContact O-OG1 3.38Å
253	W	86.8	Confident	80.2	Confident	5 Å²	5	76 Å²	76	2%	0.019	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	152.4	175.5	63.3	-76.6	0	0	0	110.2	D225 P251 A255 I268 T269 F270 F276 V323 R334	D225-W253 PolarHBondContact OD1-NE1 2.87Å; D225-W253 WeakPolarHBondContact OD2-CZ2 3.47Å; P251-W253 VanDerWaalsContact C-N 3.28Å; P251-W253 WeakPolarHBondContact CB-O 3.36Å; P251-W253 PolarHBondContact O-N 3.5Å; W253-A255 HydrophobicContact CE3-CB 4.03Å; W253-A255 HydrophobicContact CZ3-CB 3.64Å; W253-I268 HydrophobicContact CE3-CG2 4.16Å; W253-T269 CarbonylContact C-O 3.56Å; W253-T269 WeakPolarHBondContact CA-O 3.43Å; W253-T269 WeakPolarHBondContact CB-O 3.44Å; W253-F270 HydrophobicContact CB-CB 4.12Å; W253-F276 HydrophobicContact CB-CE1 4.27Å; W253-F276 HydrophobicContact CB-CZ 4.01Å; W253-F276 HydrophobicContact CD2-CD1 4.34Å; W253-F276 AromaticContact CD2-CE1 3.48Å; W253-F276 HydrophobicContact CD2-CE1 3.48Å; W253-F276 VanDerWaalsContact CD2-CE1 3.48Å; W253-F276 HydrophobicContact CD2-CZ 4.16Å; W253-F276 AromaticContact CE2-CE1 3.86Å; W253-F276 HydrophobicContact CE3-CD1 4.18Å; W253-F276 AromaticContact CE3-CE1 3.69Å; W253-F276 HydrophobicContact CE3-CE1 3.69Å; W253-F276 HydrophobicContact CE3-CZ 4.45Å; W253-F276 AromaticContact CG-CE1 3.75Å; W253-F276 HydrophobicContact CG-CE1 3.75Å; W253-F276 AromaticContact CG-CZ 3.97Å; W253-F276 HydrophobicContact CG-CZ 3.97Å; W253-F276 HydrophobicContact CZ2-CE1 4.38Å; W253-F276 HydrophobicContact CZ3-CD1 4.27Å; W253-F276 HydrophobicContact CZ3-CE1 4.2Å; W253-V323 HydrophobicContact CH2-CB 4.46Å; W253-V323 HydrophobicContact CH2-CG1 4.06Å; W253-V323 HydrophobicContact CZ3-CG1 3.87Å; W253-R334 VanDerWaalsContact CE2-CZ 3.48Å; W253-R334 HydrophobicContact CH2-CB 4.36Å; W253-R334 HydrophobicContact CH2-CG 3.67Å; W253-R334 HydrophobicContact CZ2-CG 3.93Å; W253-R334 VanDerWaalsContact CZ2-NE 3.31Å; W253-R334 VanDerWaalsContact NE1-NH2 3.11Å; W253-R334 PolarHBondContact O-NH1 3.17Å; W253-R334 PolarHBondContact O-NH2 2.73Å; W253-R334 VanDerWaalsContact O-NH2 3.14Å
254	E	87.4	Confident	80.2	Confident	95 Å²	95	75 Å²	75	44%	0.444	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	150.5	175.4	-160.2	75	-120.1	0	0	108.5	T269	E254-T269 WeakPolarHBondContact CB-OG1 3.48Å; E254-T269 PolarHBondContact N-O 3.21Å; E254-T269 PolarHBondContact O-N 2.89Å
255	A	88.3	Confident	80.3	Confident	10 Å²	10	74 Å²	74	8%	0.083	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	135.4	173.3	0	0	0	0	0	111.9	W253 V266 H267 I268 V323 L336	W253-A255 HydrophobicContact CE3-CB 4.03Å; W253-A255 HydrophobicContact CZ3-CB 3.64Å; A255-V266 HydrophobicContact CB-CG1 4.47Å; A255-H267 VanDerWaalsContact CA-O 3.32Å; A255-H267 WeakPolarHBondContact CA-O 3.22Å; A255-I268 HydrophobicContact CB-CG1 4.2Å; A255-V323 HydrophobicContact CB-CG1 4.48Å; A255-L336 HydrophobicContact CB-CD1 3.94Å; A255-L336 WeakPolarHBondContact O-CD1 3.3Å
256	H	87.4	Confident	81	Confident	88 Å²	88	71.5 Å²	71.5	41%	0.407	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	147.9	-179.3	54.9	-77.4	0	0	0	110.6	H267	H256-H267 AromaticContact CD2-CD2 4Å; H256-H267 VanDerWaalsContact CE1-CB 3.46Å; H256-H267 WeakPolarHBondContact CE1-CB 3.32Å; H256-H267 PolarHBondContact N-O 3.47Å; H256-H267 VanDerWaalsContact NE2-CB 3.35Å; H256-H267 WeakPolarHBondContact NE2-CB 3.47Å; H256-H267 AromaticContact NE2-CG 3.75Å; H256-H267 PolarHBondContact O-N 2.98Å
257	I	87.5	Confident	81.5	Confident	34 Å²	34	73.9 Å²	73.9	17%	0.174	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.7	-177.2	50.7	172.7	0	0	0	111.6	M264 L265 V266 L336 P338	I257-M264 HydrophobicContact CD1-SD 4.46Å; I257-L265 WeakPolarHBondContact CA-O 3.46Å; I257-V266 HydrophobicContact CG2-CB 4.39Å; I257-V266 HydrophobicContact CG2-CG1 4.43Å; I257-V266 HydrophobicContact CG2-CG2 3.96Å; I257-L336 HydrophobicContact CD1-CB 3.82Å; I257-L336 HydrophobicContact CG1-CB 4.09Å; I257-L336 HydrophobicContact CG2-CB 4Å; I257-L336 HydrophobicContact CG2-CD1 3.92Å; I257-P338 HydrophobicContact CD1-CB 3.93Å; I257-P338 HydrophobicContact CD1-CG 4.3Å
258	T	84.1	Confident	82.3	Confident	47 Å²	47	68.8 Å²	68.8	29%	0.288	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129	168.2	56.9	0	0	0	0	109.9	L265 H267	T258-L265 PolarHBondContact N-O 3.5Å; T258-L265 PolarHBondContact O-N 2.85Å; T258-H267 WeakPolarHBondContact CB-NE2 3.32Å; T258-H267 WeakPolarHBondContact CG2-NE2 3.39Å; T258-H267 PolarHBondContact OG1-CD2 3.5Å; T258-H267 PolarHBondContact OG1-NE2 3.33Å
259	P	79.8	Confident	83.2	Confident	104 Å²	104	64.7 Å²	64.7	68%	0.675	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	127.9	176.7	29.8	-33.2	0	0	0	110.5
260	V	79.6	Confident	83.7	Confident	68 Å²	68	64 Å²	64	41%	0.412	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	169.2	-179.7	176.7	0	0	0	0	108.5	Q262 S263 L265	V260-Q262 PolarHBondContact O-N 2.99Å; V260-S263 CarbonylContact C-O 3.55Å; V260-S263 WeakPolarHBondContact CA-O 3.43Å; V260-S263 WeakPolarHBondContact CB-OG 3.44Å; V260-S263 PolarHBondContact N-O 3.3Å; V260-S263 PolarHBondContact O-N 3.46Å; V260-L265 HydrophobicContact CG2-CB 3.82Å; V260-L265 HydrophobicContact CG2-CD2 4.47Å
261	R	71.9	Confident	83.8	Confident	236 Å²	236	59 Å²	59	89%	0.891	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	112.7	176.2	-68.3	-172.5	-178.5	-164.7	2.2	109.7	S263	R261-S263 PolarHBondContact O-N 3.31Å
262	Q	77.4	Confident	83.5	Confident	161 Å²	161	63.6 Å²	63.6	75%	0.752	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	14.4	178.5	-59.6	169.8	-45.9	0	0	115.2	V260 I312	V260-Q262 PolarHBondContact O-N 2.99Å; Q262-I312 PolarHBondContact O-N 3.26Å
263	S	81.9	Confident	83.5	Confident	13 Å²	13	63.3 Å²	63.3	9%	0.091	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	161.5	173.1	66.2	0	0	0	0	112.3	V260 R261 N309 V310	V260-S263 CarbonylContact C-O 3.55Å; V260-S263 WeakPolarHBondContact CA-O 3.43Å; V260-S263 WeakPolarHBondContact CB-OG 3.44Å; V260-S263 PolarHBondContact N-O 3.3Å; V260-S263 PolarHBondContact O-N 3.46Å; R261-S263 PolarHBondContact O-N 3.31Å; S263-N309 PolarHBondContact OG-OD1 3.35Å; S263-V310 CarbonylContact C-O 3.49Å; S263-V310 VanDerWaalsContact CA-O 3.25Å; S263-V310 WeakPolarHBondContact CA-O 3.34Å; S263-V310 WeakPolarHBondContact CB-O 3.46Å
264	M	85.3	Confident	83.5	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.015	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.8	160.2	-56.9	-164.3	-168.5	0	0	108	I257 L280 V310 I312 V321 P338	I257-M264 HydrophobicContact CD1-SD 4.46Å; M264-L280 HydrophobicContact CE-CD1 4.38Å; M264-V310 PolarHBondContact N-O 3.12Å; M264-V310 PolarHBondContact O-N 3.19Å; M264-I312 HydrophobicContact CE-CD1 3.88Å; M264-I312 HydrophobicContact CE-CG1 4.26Å; M264-I312 HydrophobicContact CG-CD1 3.69Å; M264-I312 HydrophobicContact CG-CG1 3.97Å; M264-V321 HydrophobicContact CB-CG2 4.03Å; M264-V321 HydrophobicContact CG-CG2 4.3Å; M264-V321 HydrophobicContact SD-CG2 3.59Å; M264-V321 VanDerWaalsContact SD-CG2 3.59Å; M264-P338 HydrophobicContact CE-CG 3.87Å; M264-P338 HydrophobicContact SD-CG 4.05Å
265	L	87.4	Confident	83.5	Confident	28 Å²	28	59.9 Å²	59.9	15%	0.147	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	114.1	175.6	-179.1	65.1	0	0	0	108.5	I257 T258 V260 H267	I257-L265 WeakPolarHBondContact CA-O 3.46Å; T258-L265 PolarHBondContact N-O 3.5Å; T258-L265 PolarHBondContact O-N 2.85Å; V260-L265 HydrophobicContact CG2-CB 3.82Å; V260-L265 HydrophobicContact CG2-CD2 4.47Å; L265-H267 WeakPolarHBondContact CD2-CE1 3.49Å; L265-H267 VanDerWaalsContact CD2-NE2 3.33Å; L265-H267 WeakPolarHBondContact CD2-NE2 3.09Å
266	V	89.5	Confident	83.6	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	99.5	178.8	-173.2	0	0	0	0	108.7	A255 I257 I268 A278 G307 I308 V310 V321 V323	A255-V266 HydrophobicContact CB-CG1 4.47Å; I257-V266 HydrophobicContact CG2-CB 4.39Å; I257-V266 HydrophobicContact CG2-CG1 4.43Å; I257-V266 HydrophobicContact CG2-CG2 3.96Å; V266-I268 HydrophobicContact CG1-CD1 4.33Å; V266-I268 HydrophobicContact CG1-CG1 4.01Å; V266-A278 HydrophobicContact CG2-CB 4.14Å; V266-G307 CarbonylContact O-C 3.58Å; V266-G307 VanDerWaalsContact O-CA 3.26Å; V266-G307 WeakPolarHBondContact O-CA 3.38Å; V266-I308 HydrophobicContact CB-CB 4.29Å; V266-I308 PolarHBondContact N-O 3.38Å; V266-I308 PolarHBondContact O-N 2.9Å; V266-V310 HydrophobicContact CG2-CG2 4.04Å; V266-V321 HydrophobicContact CG2-CG1 3.85Å; V266-V323 HydrophobicContact CG1-CG1 4.13Å; V266-V323 HydrophobicContact CG1-CG2 3.65Å; V266-V323 HydrophobicContact CG2-CG2 4.36Å
267	H	87.9	Confident	83.7	Confident	54 Å²	54	55.6 Å²	55.6	25%	0.25	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	129.1	172.5	-59.5	-93.2	0	0	0	109.3	A255 H256 T258 L265	A255-H267 VanDerWaalsContact CA-O 3.32Å; A255-H267 WeakPolarHBondContact CA-O 3.22Å; H256-H267 AromaticContact CD2-CD2 4Å; H256-H267 VanDerWaalsContact CE1-CB 3.46Å; H256-H267 WeakPolarHBondContact CE1-CB 3.32Å; H256-H267 PolarHBondContact N-O 3.47Å; H256-H267 VanDerWaalsContact NE2-CB 3.35Å; H256-H267 WeakPolarHBondContact NE2-CB 3.47Å; H256-H267 AromaticContact NE2-CG 3.75Å; H256-H267 PolarHBondContact O-N 2.98Å; T258-H267 WeakPolarHBondContact CB-NE2 3.32Å; T258-H267 WeakPolarHBondContact CG2-NE2 3.39Å; T258-H267 PolarHBondContact OG1-CD2 3.5Å; T258-H267 PolarHBondContact OG1-NE2 3.33Å; L265-H267 WeakPolarHBondContact CD2-CE1 3.49Å; L265-H267 VanDerWaalsContact CD2-NE2 3.33Å; L265-H267 WeakPolarHBondContact CD2-NE2 3.09Å
268	I	87.7	Confident	83.9	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132	179.4	-55.5	-178.5	0	0	0	109	W253 A255 V266 F270 F276 L299 V306 I308 V323	W253-I268 HydrophobicContact CE3-CG2 4.16Å; A255-I268 HydrophobicContact CB-CG1 4.2Å; V266-I268 HydrophobicContact CG1-CD1 4.33Å; V266-I268 HydrophobicContact CG1-CG1 4.01Å; I268-F270 HydrophobicContact CG2-CD1 4.46Å; I268-F276 HydrophobicContact CD1-CB 3.46Å; I268-F276 VanDerWaalsContact CD1-CB 3.46Å; I268-F276 HydrophobicContact CD1-CD1 4.16Å; I268-F276 HydrophobicContact CD1-CD2 4.26Å; I268-F276 HydrophobicContact CD1-CG 3.71Å; I268-F276 HydrophobicContact CG2-CD1 4.31Å; I268-F276 HydrophobicContact CG2-CD2 4.01Å; I268-F276 HydrophobicContact CG2-CE1 4.26Å; I268-F276 HydrophobicContact CG2-CE2 3.92Å; I268-F276 HydrophobicContact CG2-CG 4.19Å; I268-F276 HydrophobicContact CG2-CZ 4.06Å; I268-L299 HydrophobicContact CB-CD1 4.05Å; I268-L299 HydrophobicContact CG2-CD1 4.16Å; I268-V306 PolarHBondContact N-O 3.21Å; I268-V306 VanDerWaalsContact N-O 3.07Å; I268-I308 HydrophobicContact CD1-CD1 3.86Å; I268-I308 HydrophobicContact CD1-CG1 4.33Å; I268-V323 HydrophobicContact CD1-CG1 4.03Å
269	T	85.4	Confident	84.3	Confident	62 Å²	62	52.9 Å²	52.9	38%	0.38	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.3	169.7	55.4	0	0	0	0	109	W253 E254	W253-T269 CarbonylContact C-O 3.56Å; W253-T269 WeakPolarHBondContact CA-O 3.43Å; W253-T269 WeakPolarHBondContact CB-O 3.44Å; E254-T269 WeakPolarHBondContact CB-OG1 3.48Å; E254-T269 PolarHBondContact N-O 3.21Å; E254-T269 PolarHBondContact O-N 2.89Å
270	F	83.3	Confident	84.7	Confident	27 Å²	27	48.4 Å²	48.4	12%	0.118	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	156.7	-167.1	61	-83.4	0	0	0	110	W253 I268 L272 F276 L299 A300	W253-F270 HydrophobicContact CB-CB 4.12Å; I268-F270 HydrophobicContact CG2-CD1 4.46Å; F270-L272 VanDerWaalsContact CD2-O 3.31Å; F270-L272 WeakPolarHBondContact CD2-O 3.41Å; F270-F276 HydrophobicContact CB-CE2 3.99Å; F270-F276 HydrophobicContact CB-CZ 4.05Å; F270-F276 HydrophobicContact CD1-CE2 4.46Å; F270-F276 HydrophobicContact CG-CE2 4.2Å; F270-L299 HydrophobicContact CD1-CB 4.08Å; F270-L299 HydrophobicContact CD1-CD1 3.73Å; F270-L299 HydrophobicContact CE1-CB 3.45Å; F270-L299 VanDerWaalsContact CE1-CB 3.45Å; F270-L299 HydrophobicContact CE1-CD1 3.63Å; F270-L299 HydrophobicContact CE1-CG 4.18Å; F270-L299 HydrophobicContact CE2-CB 4.06Å; F270-L299 HydrophobicContact CZ-CB 3.43Å; F270-L299 VanDerWaalsContact CZ-CB 3.43Å; F270-L299 HydrophobicContact CZ-CD1 4.48Å; F270-A300 WeakPolarHBondContact CZ-O 3.4Å
271	T	77.1	Confident	85.1	Confident	91 Å²	91	45.1 Å²	45.1	56%	0.558	23%	0.228	S	C	*	.	S	Bend	trans	-98.2	-26.5	-176.8	46.3	0	0	0	0	113.7	T252	T252-T271 PolarHBondContact O-N 3.32Å; T252-T271 PolarHBondContact O-OG1 3.38Å
272	L	76.4	Confident	85.8	Confident	134 Å²	134	36.6 Å²	36.6	70%	0.702	20%	0.2	S	C	*	.	S	Bend	trans	-135.7	139.2	-176.5	-63	173.7	0	0	0	110.1	F270 A274	F270-L272 VanDerWaalsContact CD2-O 3.31Å; F270-L272 WeakPolarHBondContact CD2-O 3.41Å; L272-A274 PolarHBondContact O-N 3.44Å
273	S	81.8	Confident	86.2	Confident	70 Å²	70	30.6 Å²	30.6	49%	0.49	17%	0.172	S	C	.	.			trans	-49.6	126.6	-179	-57.8	0	0	0	0	112.6	L299 T301	S273-L299 CarbonylContact C-O 3.45Å; S273-L299 WeakPolarHBondContact CA-O 3.26Å; S273-L299 WeakPolarHBondContact CB-O 3.45Å; S273-T301 PolarHBondContact N-OG1 3.05Å; S273-T301 VanDerWaalsContact N-OG1 3.12Å; S273-T301 PolarHBondContact OG-N 3.38Å; S273-T301 PolarHBondContact OG-OG1 3.14Å
274	A	85.7	Confident	86.1	Confident	4 Å²	4	32.8 Å²	32.8	3%	0.033	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	149.8	-171.9	0	0	0	0	0	112.1	L272 F276 L299 Q325 Y327	L272-A274 PolarHBondContact O-N 3.44Å; A274-F276 HydrophobicContact CB-CD2 4.29Å; A274-F276 HydrophobicContact CB-CE2 3.64Å; A274-F276 HydrophobicContact CB-CZ 3.99Å; A274-L299 PolarHBondContact N-O 2.93Å; A274-L299 PolarHBondContact O-N 2.84Å; A274-Q325 HydrophobicContact CB-CG 4.11Å; A274-Q325 VanDerWaalsContact CB-NE2 3.28Å; A274-Y327 CarbonylContact C-O 3.51Å; A274-Y327 VanDerWaalsContact CA-O 3.32Å; A274-Y327 WeakPolarHBondContact CA-O 3.43Å; A274-Y327 WeakPolarHBondContact CB-O 3.28Å
275	T	87.7	Confident	85.4	Confident	23 Å²	23	41.1 Å²	41.1	14%	0.141	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127.3	167.5	-48.6	0	0	0	0	109.5	E297 T298 S326 Y327	T275-E297 WeakPolarHBondContact CA-O 3.3Å; T275-E297 WeakPolarHBondContact CG2-O 3.36Å; T275-T298 WeakPolarHBondContact CG2-OG1 3.42Å; T275-T298 PolarHBondContact OG1-OG1 3.2Å; T275-S326 WeakPolarHBondContact CG2-OG 3.42Å; T275-S326 PolarHBondContact O-N 2.98Å; T275-S326 PolarHBondContact O-OG 3.42Å; T275-Y327 PolarHBondContact N-O 2.82Å; T275-Y327 PolarHBondContact O-N 2.95Å; T275-Y327 VanDerWaalsContact O-N 3.15Å
276	F	90	Very high	84.5	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.009	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	149.1	174	-67.1	-86.4	0	0	0	110.3	W253 I268 F270 A274 S296 E297 L299 I308 W324 Q325	W253-F276 HydrophobicContact CB-CE1 4.27Å; W253-F276 HydrophobicContact CB-CZ 4.01Å; W253-F276 HydrophobicContact CD2-CD1 4.34Å; W253-F276 AromaticContact CD2-CE1 3.48Å; W253-F276 HydrophobicContact CD2-CE1 3.48Å; W253-F276 VanDerWaalsContact CD2-CE1 3.48Å; W253-F276 HydrophobicContact CD2-CZ 4.16Å; W253-F276 AromaticContact CE2-CE1 3.86Å; W253-F276 HydrophobicContact CE3-CD1 4.18Å; W253-F276 AromaticContact CE3-CE1 3.69Å; W253-F276 HydrophobicContact CE3-CE1 3.69Å; W253-F276 HydrophobicContact CE3-CZ 4.45Å; W253-F276 AromaticContact CG-CE1 3.75Å; W253-F276 HydrophobicContact CG-CE1 3.75Å; W253-F276 AromaticContact CG-CZ 3.97Å; W253-F276 HydrophobicContact CG-CZ 3.97Å; W253-F276 HydrophobicContact CZ2-CE1 4.38Å; W253-F276 HydrophobicContact CZ3-CD1 4.27Å; W253-F276 HydrophobicContact CZ3-CE1 4.2Å; I268-F276 HydrophobicContact CD1-CB 3.46Å; I268-F276 VanDerWaalsContact CD1-CB 3.46Å; I268-F276 HydrophobicContact CD1-CD1 4.16Å; I268-F276 HydrophobicContact CD1-CD2 4.26Å; I268-F276 HydrophobicContact CD1-CG 3.71Å; I268-F276 HydrophobicContact CG2-CD1 4.31Å; I268-F276 HydrophobicContact CG2-CD2 4.01Å; I268-F276 HydrophobicContact CG2-CE1 4.26Å; I268-F276 HydrophobicContact CG2-CE2 3.92Å; I268-F276 HydrophobicContact CG2-CG 4.19Å; I268-F276 HydrophobicContact CG2-CZ 4.06Å; F270-F276 HydrophobicContact CB-CE2 3.99Å; F270-F276 HydrophobicContact CB-CZ 4.05Å; F270-F276 HydrophobicContact CD1-CE2 4.46Å; F270-F276 HydrophobicContact CG-CE2 4.2Å; A274-F276 HydrophobicContact CB-CD2 4.29Å; A274-F276 HydrophobicContact CB-CE2 3.64Å; A274-F276 HydrophobicContact CB-CZ 3.99Å; F276-S296 CarbonylContact O-C 3.59Å; F276-S296 VanDerWaalsContact O-CA 3.22Å; F276-S296 WeakPolarHBondContact O-CA 3.31Å; F276-E297 PolarHBondContact N-O 3.19Å; F276-E297 PolarHBondContact O-N 2.84Å; F276-L299 HydrophobicContact CD2-CD1 3.64Å; F276-L299 HydrophobicContact CD2-CG 4.02Å; F276-L299 HydrophobicContact CE2-CD1 4.1Å; F276-I308 HydrophobicContact CB-CD1 4.17Å; F276-W324 WeakPolarHBondContact CA-O 3.42Å; F276-Q325 HydrophobicContact CD1-CB 3.95Å; F276-Q325 HydrophobicContact CD1-CG 4.21Å; F276-Q325 HydrophobicContact CE1-CB 3.76Å; F276-Q325 HydrophobicContact CE1-CG 3.88Å; F276-Q325 HydrophobicContact CZ-CG 4.27Å
277	S	91.1	Very high	83.8	Confident	6 Å²	6	44.1 Å²	44.1	4%	0.042	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.8	-179.7	-64.8	0	0	0	0	110.1	H295 S296 V323 W324 S326	S277-H295 CarbonylContact C-O 3.53Å; S277-H295 WeakPolarHBondContact CA-O 3.41Å; S277-S296 WeakPolarHBondContact CB-OG 3.14Å; S277-S296 WeakPolarHBondContact OG-CB 3.37Å; S277-S296 PolarHBondContact OG-OG 2.83Å; S277-V323 WeakPolarHBondContact O-CA 3.26Å; S277-W324 VanDerWaalsContact CB-CE2 3.49Å; S277-W324 PolarHBondContact N-O 2.94Å; S277-W324 PolarHBondContact O-N 3.47Å; S277-S326 VanDerWaalsContact OG-CB 3.28Å; S277-S326 WeakPolarHBondContact OG-CB 3.31Å; S277-S326 PolarHBondContact OG-OG 3.33Å
278	A	91.9	Very high	83.7	Confident	0 Å²	0	42 Å²	42	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.5	178.9	0	0	0	0	0	111.8	V266 H295 I308 V310 V321 Q322 V323	V266-A278 HydrophobicContact CG2-CB 4.14Å; A278-H295 PolarHBondContact N-O 3.27Å; A278-H295 PolarHBondContact O-N 3.09Å; A278-I308 HydrophobicContact CB-CB 4.48Å; A278-I308 HydrophobicContact CB-CD1 4.3Å; A278-I308 HydrophobicContact CB-CG2 4.16Å; A278-V310 HydrophobicContact CB-CG2 3.73Å; A278-V321 HydrophobicContact CB-CG1 4.09Å; A278-Q322 CarbonylContact C-O 3.46Å; A278-Q322 VanDerWaalsContact CA-O 3.25Å; A278-Q322 WeakPolarHBondContact CA-O 3.36Å; A278-V323 HydrophobicContact CB-CG2 4.35Å
279	Q	90.8	Very high	83.6	Confident	24 Å²	24	45.9 Å²	45.9	11%	0.112	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	140.9	178.4	-167.4	179	19.9	0	0	110.1	G292 I294 V321 Q322 W324	Q279-G292 PolarHBondContact NE2-O 2.73Å; Q279-I294 HydrophobicContact CB-CG1 4.24Å; Q279-I294 HydrophobicContact CG-CG1 4.11Å; Q279-V321 WeakPolarHBondContact O-CA 3.3Å; Q279-Q322 PolarHBondContact N-O 2.8Å; Q279-Q322 PolarHBondContact O-N 3.39Å; Q279-W324 HydrophobicContact CB-CH2 3.95Å; Q279-W324 HydrophobicContact CB-CZ3 4Å
280	L	89.4	Confident	83.7	Confident	10 Å²	10	46.1 Å²	46.1	5%	0.052	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	144.3	172.4	-164.5	74.2	0	0	0	109.5	M264 R291 V310 C320 V321	M264-L280 HydrophobicContact CE-CD1 4.38Å; L280-R291 PolarHBondContact O-N 3.5Å; L280-V310 HydrophobicContact CB-CG1 4.01Å; L280-C320 WeakPolarHBondContact CD1-O 3.26Å; L280-V321 HydrophobicContact CD1-CG2 4.46Å
281	C	87.7	Confident	83.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	150.7	172.7	71.6	0	0	0	0	111.6	C288 V289 C320 Q322	C281-C288 HydrophobicContact CB-CB 3.86Å; C281-C288 WeakPolarHBondContact CB-SG 3.18Å; C281-C288 WeakPolarHBondContact SG-CB 3.49Å; C281-C288 CovalentContact SG-SG 2.04Å; C281-C288 PolarHBondContact SG-SG 2.9Å; C281-V289 CarbonylContact C-O 3.57Å; C281-V289 WeakPolarHBondContact CA-O 3.4Å; C281-V289 VanDerWaalsContact CB-O 3.3Å; C281-V289 WeakPolarHBondContact CB-O 3.44Å; C281-C320 PolarHBondContact N-O 3.34Å; C281-C320 PolarHBondContact O-N 2.75Å; C281-C320 VanDerWaalsContact O-O 3.08Å; C281-Q322 HydrophobicContact CB-CG 4.41Å
282	L	87.1	Confident	83.9	Confident	57 Å²	57	48.1 Å²	48.1	30%	0.298	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	120.5	176.6	-61.5	-179.5	0	0	0	109.4	T284 C288 V289 T316	L282-T284 PolarHBondContact O-N 3.33Å; L282-C288 CarbonylContact O-C 3.57Å; L282-C288 WeakPolarHBondContact O-CA 3.43Å; L282-V289 PolarHBondContact N-O 3.09Å; L282-V289 PolarHBondContact O-N 3.36Å; L282-T316 WeakPolarHBondContact CD2-OG1 3.48Å
283	L	84.8	Confident	84.3	Confident	34 Å²	34	49.3 Å²	49.3	18%	0.178	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	99.8	-174.5	-175.5	71.2	0	0	0	111.7	M196 I202 C288 R318	M196-L283 HydrophobicContact CE-CD2 4.24Å; I202-L283 HydrophobicContact CD1-CD1 3.64Å; L283-C288 HydrophobicContact CD1-CB 4.15Å; L283-R318 HydrophobicContact CB-CB 4.18Å; L283-R318 PolarHBondContact N-O 3.44Å; L283-R318 VanDerWaalsContact N-O 3.08Å; L283-R318 WeakPolarHBondContact O-CD 3.18Å
284	T	79.8	Confident	84.7	Confident	60 Å²	60	50.1 Å²	50.1	37%	0.368	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	169.6	173.4	78.2	0	0	0	0	111.2	L282 A286 G287 V289	L282-T284 PolarHBondContact O-N 3.33Å; T284-A286 VanDerWaalsContact C-N 3.29Å; T284-A286 PolarHBondContact O-N 3.19Å; T284-A286 PolarHBondContact OG1-N 3.03Å; T284-G287 WeakPolarHBondContact CA-O 3.22Å; T284-G287 WeakPolarHBondContact CB-O 3.36Å; T284-G287 PolarHBondContact N-O 2.72Å; T284-G287 PolarHBondContact O-N 3.12Å; T284-G287 VanDerWaalsContact O-N 3.09Å; T284-G287 PolarHBondContact OG1-N 3.36Å; T284-G287 PolarHBondContact OG1-O 3.29Å; T284-V289 HydrophobicContact CG2-CG2 4.1Å
285	E	70.8	Confident	84.8	Confident	178 Å²	178	52.2 Å²	52.2	83%	0.832	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-27.6	178.2	-63.8	176.9	179.6	0	0	112.8	G287	E285-G287 VanDerWaalsContact C-N 3.32Å
286	A	68.6	Low	84.8	Confident	85 Å²	85	54.1 Å²	54.1	70%	0.702	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.9	172	0	0	0	0	0	113.4	T284	T284-A286 VanDerWaalsContact C-N 3.29Å; T284-A286 PolarHBondContact O-N 3.19Å; T284-A286 PolarHBondContact OG1-N 3.03Å
287	G	75.5	Confident	84.4	Confident	6 Å²	6	58.7 Å²	58.7	6%	0.062	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	137.1	-175	177.9	0	0	0	0	0	114.2	T284 E285	T284-G287 WeakPolarHBondContact CA-O 3.22Å; T284-G287 WeakPolarHBondContact CB-O 3.36Å; T284-G287 PolarHBondContact N-O 2.72Å; T284-G287 PolarHBondContact O-N 3.12Å; T284-G287 VanDerWaalsContact O-N 3.09Å; T284-G287 PolarHBondContact OG1-N 3.36Å; T284-G287 PolarHBondContact OG1-O 3.29Å; E285-G287 VanDerWaalsContact C-N 3.32Å
288	C	84.8	Confident	84	Confident	10 Å²	10	63.3 Å²	63.3	7%	0.068	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	108.7	-177.5	-147.2	0	0	0	0	111.5	C281 L282 L283 Q322 I335	C281-C288 HydrophobicContact CB-CB 3.86Å; C281-C288 WeakPolarHBondContact CB-SG 3.18Å; C281-C288 WeakPolarHBondContact SG-CB 3.49Å; C281-C288 CovalentContact SG-SG 2.04Å; C281-C288 PolarHBondContact SG-SG 2.9Å; L282-C288 CarbonylContact O-C 3.57Å; L282-C288 WeakPolarHBondContact O-CA 3.43Å; L283-C288 HydrophobicContact CD1-CB 4.15Å; C288-Q322 PolarHBondContact O-NE2 3.17Å; C288-Q322 VanDerWaalsContact O-NE2 3.08Å; C288-I335 HydrophobicContact CB-CD1 4.03Å; C288-I335 HydrophobicContact CB-CG2 4.37Å
289	V	86.4	Confident	83.1	Confident	81 Å²	81	63.6 Å²	63.6	49%	0.491	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	123.4	-176.1	-178.6	0	0	0	0	109.6	C281 L282 T284	C281-V289 CarbonylContact C-O 3.57Å; C281-V289 WeakPolarHBondContact CA-O 3.4Å; C281-V289 VanDerWaalsContact CB-O 3.3Å; C281-V289 WeakPolarHBondContact CB-O 3.44Å; L282-V289 PolarHBondContact N-O 3.09Å; L282-V289 PolarHBondContact O-N 3.36Å; T284-V289 HydrophobicContact CG2-CG2 4.1Å
290	P	86.6	Confident	82	Confident	67 Å²	67	65.6 Å²	65.6	44%	0.435	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	143.5	-175.5	27.4	-34.9	0	0	0	112.6
291	R	84.9	Confident	80.8	Confident	123 Å²	123	68.5 Å²	68.5	46%	0.464	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	139.7	-175.3	-167.6	71.5	-179.7	119.1	9.3	110.4	L280	L280-R291 PolarHBondContact O-N 3.5Å
292	G	81.1	Confident	79.4	Confident	37 Å²	37	72.7 Å²	72.7	38%	0.381	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	69.8	-170.4	-179	0	0	0	0	0	113.9	Q279	Q279-G292 PolarHBondContact NE2-O 2.73Å
293	Q	84.8	Confident	77.9	Confident	158 Å²	158	77.6 Å²	77.6	74%	0.738	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	156.4	-177.5	-69.6	178.5	-16.9	0	0	112.6	H295	Q293-H295 PolarHBondContact O-CE1 2.81Å; Q293-H295 VanDerWaalsContact O-CE1 3.24Å; Q293-H295 PolarHBondContact O-ND1 2.65Å
294	I	88.5	Confident	76.6	Confident	88 Å²	88	82.2 Å²	82.2	45%	0.451	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	125.4	173.1	-57.6	170	0	0	0	108.1	Q279 W324	Q279-I294 HydrophobicContact CB-CG1 4.24Å; Q279-I294 HydrophobicContact CG-CG1 4.11Å; I294-W324 HydrophobicContact CD1-CH2 4.24Å; I294-W324 HydrophobicContact CD1-CZ2 4.18Å; I294-W324 HydrophobicContact CG1-CH2 4.15Å; I294-W324 HydrophobicContact CG1-CZ2 4.48Å; I294-W324 HydrophobicContact CG2-CH2 3.84Å; I294-W324 HydrophobicContact CG2-CZ2 3.79Å
295	H	87.7	Confident	75.8	Confident	48 Å²	48	82.2 Å²	82.2	22%	0.222	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127	178.4	-59	67.4	0	0	0	107.3	S277 A278 Q293 I308 N309 P311	S277-H295 CarbonylContact C-O 3.53Å; S277-H295 WeakPolarHBondContact CA-O 3.41Å; A278-H295 PolarHBondContact N-O 3.27Å; A278-H295 PolarHBondContact O-N 3.09Å; Q293-H295 PolarHBondContact O-CE1 2.81Å; Q293-H295 VanDerWaalsContact O-CE1 3.24Å; Q293-H295 PolarHBondContact O-ND1 2.65Å; H295-I308 HydrophobicContact CB-CG2 3.63Å; H295-N309 PolarHBondContact CD2-O 3.04Å; H295-P311 VanDerWaalsContact CE1-CD 3.45Å; H295-P311 WeakPolarHBondContact CE1-CD 3.47Å; H295-P311 WeakPolarHBondContact NE2-CD 3.41Å
296	S	87.9	Confident	75.7	Confident	62 Å²	62	76 Å²	76	43%	0.434	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	136.8	-174.6	-51.5	0	0	0	0	111.2	F276 S277	F276-S296 CarbonylContact O-C 3.59Å; F276-S296 VanDerWaalsContact O-CA 3.22Å; F276-S296 WeakPolarHBondContact O-CA 3.31Å; S277-S296 WeakPolarHBondContact CB-OG 3.14Å; S277-S296 WeakPolarHBondContact OG-CB 3.37Å; S277-S296 PolarHBondContact OG-OG 2.83Å
297	E	83.1	Confident	76.3	Confident	98 Å²	98	73 Å²	73	46%	0.458	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.5	-179.6	-74.1	-67.5	178.2	0	0	110.2	T275 F276 L299 I308	T275-E297 WeakPolarHBondContact CA-O 3.3Å; T275-E297 WeakPolarHBondContact CG2-O 3.36Å; F276-E297 PolarHBondContact N-O 3.19Å; F276-E297 PolarHBondContact O-N 2.84Å; E297-L299 HydrophobicContact CB-CD2 3.79Å; E297-I308 HydrophobicContact CB-CD1 4.23Å; E297-I308 HydrophobicContact CB-CG1 4.06Å; E297-I308 HydrophobicContact CG-CD1 4.5Å; E297-I308 HydrophobicContact CG-CG1 3.95Å
298	T	81.2	Confident	76.8	Confident	104 Å²	104	73 Å²	73	64%	0.638	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	110.3	177.1	-62.8	0	0	0	0	109.4	T275	T275-T298 WeakPolarHBondContact CG2-OG1 3.42Å; T275-T298 PolarHBondContact OG1-OG1 3.2Å
299	L	74.2	Confident	76.8	Confident	5 Å²	5	76.6 Å²	76.6	3%	0.026	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.6	-171.8	-46.3	-171.7	0	0	0	109.8	I268 F270 S273 A274 F276 E297 V306	I268-L299 HydrophobicContact CB-CD1 4.05Å; I268-L299 HydrophobicContact CG2-CD1 4.16Å; F270-L299 HydrophobicContact CD1-CB 4.08Å; F270-L299 HydrophobicContact CD1-CD1 3.73Å; F270-L299 HydrophobicContact CE1-CB 3.45Å; F270-L299 VanDerWaalsContact CE1-CB 3.45Å; F270-L299 HydrophobicContact CE1-CD1 3.63Å; F270-L299 HydrophobicContact CE1-CG 4.18Å; F270-L299 HydrophobicContact CE2-CB 4.06Å; F270-L299 HydrophobicContact CZ-CB 3.43Å; F270-L299 VanDerWaalsContact CZ-CB 3.43Å; F270-L299 HydrophobicContact CZ-CD1 4.48Å; S273-L299 CarbonylContact C-O 3.45Å; S273-L299 WeakPolarHBondContact CA-O 3.26Å; S273-L299 WeakPolarHBondContact CB-O 3.45Å; A274-L299 PolarHBondContact N-O 2.93Å; A274-L299 PolarHBondContact O-N 2.84Å; F276-L299 HydrophobicContact CD2-CD1 3.64Å; F276-L299 HydrophobicContact CD2-CG 4.02Å; F276-L299 HydrophobicContact CE2-CD1 4.1Å; E297-L299 HydrophobicContact CB-CD2 3.79Å; L299-V306 HydrophobicContact CD1-CB 4.25Å; L299-V306 HydrophobicContact CD2-CB 3.59Å; L299-V306 HydrophobicContact CD2-CG1 3.56Å; L299-V306 HydrophobicContact CD2-CG2 4.02Å
300	A	67.2	Low	76.8	Confident	66 Å²	66	72.8 Å²	72.8	55%	0.545	41%	0.41	S	S	.	.			trans	-97.6	139.4	175.3	0	0	0	0	0	110.5	F270 N302	F270-A300 WeakPolarHBondContact CZ-O 3.4Å; A300-N302 PolarHBondContact O-N 2.67Å; A300-N302 PolarHBondContact O-OD1 3.4Å
301	T	63.6	Low	76.7	Confident	72 Å²	72	72.5 Å²	72.5	44%	0.442	41%	0.408	S	S	.	.	S	Bend	trans	-59.5	98.6	-177	-56.3	0	0	0	0	112.6	S273	S273-T301 PolarHBondContact N-OG1 3.05Å; S273-T301 VanDerWaalsContact N-OG1 3.12Å; S273-T301 PolarHBondContact OG-N 3.38Å; S273-T301 PolarHBondContact OG-OG1 3.14Å
302	N	59	Low	76.3	Confident	87 Å²	87	68 Å²	68	47%	0.465	39%	0.393	S	S	.	.	S	Bend	trans	-134.7	12.9	178	69.8	-5.9	0	0	0	113.3	A300 Q304	A300-N302 PolarHBondContact O-N 2.67Å; A300-N302 PolarHBondContact O-OD1 3.4Å; N302-Q304 PolarHBondContact O-N 2.96Å; N302-Q304 VanDerWaalsContact O-N 3.08Å; N302-Q304 WeakPolarHBondContact OD1-CB 3.46Å; N302-Q304 PolarHBondContact OD1-N 2.9Å
303	N	54.5	Low	75.6	Confident	160 Å²	160	72.9 Å²	72.9	86%	0.856	41%	0.406	S	S	*	.	S	Bend	trans	56.7	12.5	-174.6	-65.1	-10.2	0	0	0	115.9
304	Q	59.2	Low	74.6	Confident	132 Å²	132	69.9 Å²	69.9	62%	0.617	40%	0.395	S	S	*	.			trans	-99.8	128.6	-179.9	-161.1	170.7	11.8	0	0	110.3	N302 V306	N302-Q304 PolarHBondContact O-N 2.96Å; N302-Q304 VanDerWaalsContact O-N 3.08Å; N302-Q304 WeakPolarHBondContact OD1-CB 3.46Å; N302-Q304 PolarHBondContact OD1-N 2.9Å; Q304-V306 PolarHBondContact O-N 3.22Å
305	S	61.8	Low	73.3	Confident	59 Å²	59	72.5 Å²	72.5	41%	0.413	41%	0.408	S	S	.	.			trans	-70.2	102.7	174.7	56.1	0	0	0	0	110.1
306	V	69.8	Low	72	Confident	47 Å²	47	73.2 Å²	73.2	29%	0.285	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	142	175.1	-176.3	0	0	0	0	109.3	I268 L299 Q304	I268-V306 PolarHBondContact N-O 3.21Å; I268-V306 VanDerWaalsContact N-O 3.07Å; L299-V306 HydrophobicContact CD1-CB 4.25Å; L299-V306 HydrophobicContact CD2-CB 3.59Å; L299-V306 HydrophobicContact CD2-CG1 3.56Å; L299-V306 HydrophobicContact CD2-CG2 4.02Å; Q304-V306 PolarHBondContact O-N 3.22Å
307	G	81.1	Confident	70.7	Confident	24 Å²	24	77.9 Å²	77.9	25%	0.247	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116.4	-174.1	0	0	0	0	0	113.1	V266	V266-G307 CarbonylContact O-C 3.58Å; V266-G307 VanDerWaalsContact O-CA 3.26Å; V266-G307 WeakPolarHBondContact O-CA 3.38Å
308	I	85.6	Confident	70.2	Confident	4 Å²	4	80.2 Å²	80.2	2%	0.021	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	119.1	172.5	-50.1	-177.1	0	0	0	108.8	V266 I268 F276 A278 H295 E297 V310	V266-I308 HydrophobicContact CB-CB 4.29Å; V266-I308 PolarHBondContact N-O 3.38Å; V266-I308 PolarHBondContact O-N 2.9Å; I268-I308 HydrophobicContact CD1-CD1 3.86Å; I268-I308 HydrophobicContact CD1-CG1 4.33Å; F276-I308 HydrophobicContact CB-CD1 4.17Å; A278-I308 HydrophobicContact CB-CB 4.48Å; A278-I308 HydrophobicContact CB-CD1 4.3Å; A278-I308 HydrophobicContact CB-CG2 4.16Å; H295-I308 HydrophobicContact CB-CG2 3.63Å; E297-I308 HydrophobicContact CB-CD1 4.23Å; E297-I308 HydrophobicContact CB-CG1 4.06Å; E297-I308 HydrophobicContact CG-CD1 4.5Å; E297-I308 HydrophobicContact CG-CG1 3.95Å; I308-V310 HydrophobicContact CG2-CG2 4.43Å
309	N	85.5	Confident	70.3	Confident	86 Å²	86	75.2 Å²	75.2	46%	0.46	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	116.8	173.5	-91.2	-69.5	0	0	0	110.8	S263 H295	S263-N309 PolarHBondContact OG-OD1 3.35Å; H295-N309 PolarHBondContact CD2-O 3.04Å
310	V	86.6	Confident	70.9	Confident	2 Å²	2	75.1 Å²	75.1	1%	0.012	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	110.2	174.2	-177.3	0	0	0	0	109	S263 M264 V266 A278 L280 I308 V321	S263-V310 CarbonylContact C-O 3.49Å; S263-V310 VanDerWaalsContact CA-O 3.25Å; S263-V310 WeakPolarHBondContact CA-O 3.34Å; S263-V310 WeakPolarHBondContact CB-O 3.46Å; M264-V310 PolarHBondContact N-O 3.12Å; M264-V310 PolarHBondContact O-N 3.19Å; V266-V310 HydrophobicContact CG2-CG2 4.04Å; A278-V310 HydrophobicContact CB-CG2 3.73Å; L280-V310 HydrophobicContact CB-CG1 4.01Å; I308-V310 HydrophobicContact CG2-CG2 4.43Å; V310-V321 HydrophobicContact CG2-CG1 4.18Å
311	P	83.3	Confident	72	Confident	61 Å²	61	72 Å²	72	40%	0.396	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	138.3	-177.6	28.3	-33.7	0	0	0	112	H295	H295-P311 VanDerWaalsContact CE1-CD 3.45Å; H295-P311 WeakPolarHBondContact CE1-CD 3.47Å; H295-P311 WeakPolarHBondContact NE2-CD 3.41Å
312	I	77.6	Confident	73.3	Confident	27 Å²	27	68.8 Å²	68.8	14%	0.138	36%	0.359	C	S	.	.			trans	-97.4	104	176.4	-53	166	0	0	0	107.9	Q262 M264 D314 I315	Q262-I312 PolarHBondContact O-N 3.26Å; M264-I312 HydrophobicContact CE-CD1 3.88Å; M264-I312 HydrophobicContact CE-CG1 4.26Å; M264-I312 HydrophobicContact CG-CD1 3.69Å; M264-I312 HydrophobicContact CG-CG1 3.97Å; I312-D314 WeakPolarHBondContact CG2-O 3.11Å; I312-I315 HydrophobicContact CG2-CG1 3.94Å
313	Q	65.9	Low	74.8	Confident	141 Å²	141	64.7 Å²	64.7	66%	0.659	34%	0.337	S	S	*	.	S	Bend	trans	-74.2	-43.1	177.2	-68.5	-178.6	-20.2	0	0	111.9
314	D	64	Low	76.6	Confident	94 Å²	94	58.5 Å²	58.5	50%	0.503	30%	0.301	S	S	.	.			trans	-125.4	124.1	177	-66.4	-63.2	0	0	0	110.6	I312 T316	I312-D314 WeakPolarHBondContact CG2-O 3.11Å; D314-T316 VanDerWaalsContact C-N 3.26Å; D314-T316 HydrophobicContact CB-CG2 4.24Å; D314-T316 PolarHBondContact O-N 3.37Å
315	I	60.9	Low	78	Confident	143 Å²	143	53.2 Å²	53.2	73%	0.733	28%	0.277	S	S	*	.			trans	-83.2	76.6	170.9	-53.8	175.9	0	0	0	108.3	I312	I312-I315 HydrophobicContact CG2-CG1 3.94Å
316	T	61.3	Low	79.3	Confident	63 Å²	63	52.2 Å²	52.2	39%	0.387	27%	0.27	S	S	.	.			trans	-87.3	156.3	168.5	52.6	0	0	0	0	110.8	L282 D314 R318 S319	L282-T316 WeakPolarHBondContact CD2-OG1 3.48Å; D314-T316 VanDerWaalsContact C-N 3.26Å; D314-T316 HydrophobicContact CB-CG2 4.24Å; D314-T316 PolarHBondContact O-N 3.37Å; T316-R318 PolarHBondContact O-N 3.2Å; T316-S319 PolarHBondContact OG1-OG 3.19Å
317	E	59.9	Low	80.1	Confident	161 Å²	161	58.1 Å²	58.1	75%	0.752	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	132.5	173	-59.4	-163.3	142.2	0	0	109.5	R344	E317-R344 IonicContact OE1-NH2 3.17Å
318	R	73.1	Confident	80.3	Confident	146 Å²	146	60.4 Å²	60.4	55%	0.551	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	27.9	-176.1	-41.1	-179.6	-176	-176.9	2.5	117	L283 T316 C320	L283-R318 HydrophobicContact CB-CB 4.18Å; L283-R318 PolarHBondContact N-O 3.44Å; L283-R318 VanDerWaalsContact N-O 3.08Å; L283-R318 WeakPolarHBondContact O-CD 3.18Å; T316-R318 PolarHBondContact O-N 3.2Å; R318-C320 PolarHBondContact O-N 2.98Å
319	S	82.6	Confident	80.2	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	127.7	159.4	-73.2	0	0	0	0	111.3	T316 Y340	T316-S319 PolarHBondContact OG1-OG 3.19Å; S319-Y340 PolarHBondContact O-OH 3.29Å
320	C	87.5	Confident	80.3	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.02	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	176.6	176.6	-58	0	0	0	0	110.4	L280 C281 R318 I335 L336 C337	L280-C320 WeakPolarHBondContact CD1-O 3.26Å; C281-C320 PolarHBondContact N-O 3.34Å; C281-C320 PolarHBondContact O-N 2.75Å; C281-C320 VanDerWaalsContact O-O 3.08Å; R318-C320 PolarHBondContact O-N 2.98Å; C320-I335 HydrophobicContact CB-CG2 4.14Å; C320-L336 CarbonylContact C-O 3.54Å; C320-L336 WeakPolarHBondContact CA-O 3.3Å; C320-L336 WeakPolarHBondContact CB-O 3.48Å; C320-C337 HydrophobicContact CB-CB 4.03Å; C320-C337 WeakPolarHBondContact CB-SG 3.31Å; C320-C337 WeakPolarHBondContact SG-CB 3.49Å; C320-C337 CovalentContact SG-SG 2.04Å; C320-C337 PolarHBondContact SG-SG 2.93Å
321	V	89.9	Confident	80.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128.7	176.8	-172.2	0	0	0	0	110.1	M264 V266 A278 Q279 L280 V310 V323 L336	M264-V321 HydrophobicContact CB-CG2 4.03Å; M264-V321 HydrophobicContact CG-CG2 4.3Å; M264-V321 HydrophobicContact SD-CG2 3.59Å; M264-V321 VanDerWaalsContact SD-CG2 3.59Å; V266-V321 HydrophobicContact CG2-CG1 3.85Å; A278-V321 HydrophobicContact CB-CG1 4.09Å; Q279-V321 WeakPolarHBondContact O-CA 3.3Å; L280-V321 HydrophobicContact CD1-CG2 4.46Å; V310-V321 HydrophobicContact CG2-CG1 4.18Å; V321-V323 HydrophobicContact CG1-CG2 3.94Å; V321-L336 PolarHBondContact N-O 3.46Å; V321-L336 PolarHBondContact O-N 3.09Å
322	Q	90.5	Very high	80.2	Confident	5 Å²	5	61 Å²	61	2%	0.023	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	132.3	162.5	-87.2	175.2	19.5	0	0	109.5	A278 Q279 C281 C288 W324 R333 R334 I335	A278-Q322 CarbonylContact C-O 3.46Å; A278-Q322 VanDerWaalsContact CA-O 3.25Å; A278-Q322 WeakPolarHBondContact CA-O 3.36Å; Q279-Q322 PolarHBondContact N-O 2.8Å; Q279-Q322 PolarHBondContact O-N 3.39Å; C281-Q322 HydrophobicContact CB-CG 4.41Å; C288-Q322 PolarHBondContact O-NE2 3.17Å; C288-Q322 VanDerWaalsContact O-NE2 3.08Å; Q322-W324 HydrophobicContact CB-CE3 4.23Å; Q322-W324 HydrophobicContact CB-CZ3 3.98Å; Q322-R333 VanDerWaalsContact OE1-CD 3.27Å; Q322-R334 CarbonylContact C-O 3.58Å; Q322-R334 WeakPolarHBondContact CA-O 3.45Å; Q322-I335 HydrophobicContact CG-CG1 4.2Å
323	V	91.3	Very high	80.7	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.5	177.1	-170.2	0	0	0	0	109.3	W253 A255 V266 I268 S277 A278 V321 R334 L336	W253-V323 HydrophobicContact CH2-CB 4.46Å; W253-V323 HydrophobicContact CH2-CG1 4.06Å; W253-V323 HydrophobicContact CZ3-CG1 3.87Å; A255-V323 HydrophobicContact CB-CG1 4.48Å; V266-V323 HydrophobicContact CG1-CG1 4.13Å; V266-V323 HydrophobicContact CG1-CG2 3.65Å; V266-V323 HydrophobicContact CG2-CG2 4.36Å; I268-V323 HydrophobicContact CD1-CG1 4.03Å; S277-V323 WeakPolarHBondContact O-CA 3.26Å; A278-V323 HydrophobicContact CB-CG2 4.35Å; V321-V323 HydrophobicContact CG1-CG2 3.94Å; V323-R334 PolarHBondContact N-O 3.49Å; V323-R334 PolarHBondContact O-N 2.84Å; V323-L336 HydrophobicContact CG2-CD1 3.94Å; V323-L336 HydrophobicContact CG2-CG 4.49Å
324	W	90.9	Very high	81.8	Confident	30 Å²	30	56.1 Å²	56.1	11%	0.114	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	159.1	177.6	64.9	97	0	0	0	112.2	F276 S277 Q279 I294 Q322 G332 R333	F276-W324 WeakPolarHBondContact CA-O 3.42Å; S277-W324 VanDerWaalsContact CB-CE2 3.49Å; S277-W324 PolarHBondContact N-O 2.94Å; S277-W324 PolarHBondContact O-N 3.47Å; Q279-W324 HydrophobicContact CB-CH2 3.95Å; Q279-W324 HydrophobicContact CB-CZ3 4Å; I294-W324 HydrophobicContact CD1-CH2 4.24Å; I294-W324 HydrophobicContact CD1-CZ2 4.18Å; I294-W324 HydrophobicContact CG1-CH2 4.15Å; I294-W324 HydrophobicContact CG1-CZ2 4.48Å; I294-W324 HydrophobicContact CG2-CH2 3.84Å; I294-W324 HydrophobicContact CG2-CZ2 3.79Å; Q322-W324 HydrophobicContact CB-CE3 4.23Å; Q322-W324 HydrophobicContact CB-CZ3 3.98Å; W324-G332 WeakPolarHBondContact CB-O 3.39Å; W324-R333 HydrophobicContact CB-CG 4.18Å; W324-R333 HydrophobicContact CD2-CG 4.45Å; W324-R333 HydrophobicContact CE3-CG 4.33Å; W324-R333 HydrophobicContact CG-CG 4.42Å
325	Q	89.9	Confident	83	Confident	22 Å²	22	52 Å²	52	10%	0.103	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	116.5	171.7	-167.7	177.7	-17.6	0	0	109.5	A274 F276 P328 L330	A274-Q325 HydrophobicContact CB-CG 4.11Å; A274-Q325 VanDerWaalsContact CB-NE2 3.28Å; F276-Q325 HydrophobicContact CD1-CB 3.95Å; F276-Q325 HydrophobicContact CD1-CG 4.21Å; F276-Q325 HydrophobicContact CE1-CB 3.76Å; F276-Q325 HydrophobicContact CE1-CG 3.88Å; F276-Q325 HydrophobicContact CZ-CG 4.27Å; Q325-P328 WeakPolarHBondContact CG-O 3.39Å; Q325-P328 PolarHBondContact NE2-O 2.77Å; Q325-L330 HydrophobicContact CB-CB 4.33Å; Q325-L330 HydrophobicContact CB-CD1 4.26Å; Q325-L330 HydrophobicContact CB-CG 4.28Å; Q325-L330 PolarHBondContact O-N 2.85Å
326	S	88.5	Confident	84.3	Confident	37 Å²	37	46.5 Å²	46.5	26%	0.259	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-25.3	-178.3	46.5	0	0	0	0	113.2	T275 S277	T275-S326 WeakPolarHBondContact CG2-OG 3.42Å; T275-S326 PolarHBondContact O-N 2.98Å; T275-S326 PolarHBondContact O-OG 3.42Å; S277-S326 VanDerWaalsContact OG-CB 3.28Å; S277-S326 WeakPolarHBondContact OG-CB 3.31Å; S277-S326 PolarHBondContact OG-OG 3.33Å
327	Y	85.6	Confident	85.5	Confident	171 Å²	171	45.4 Å²	45.4	67%	0.671	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-146.9	131.1	172.2	-167.1	-100.7	0	0	0	113.2	A274 T275	A274-Y327 CarbonylContact C-O 3.51Å; A274-Y327 VanDerWaalsContact CA-O 3.32Å; A274-Y327 WeakPolarHBondContact CA-O 3.43Å; A274-Y327 WeakPolarHBondContact CB-O 3.28Å; T275-Y327 PolarHBondContact N-O 2.82Å; T275-Y327 PolarHBondContact O-N 2.95Å; T275-Y327 VanDerWaalsContact O-N 3.15Å
328	P	85.6	Confident	86.5	Confident	72 Å²	72	38.8 Å²	38.8	47%	0.468	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	cis	-51.1	141.1	-23.2	25	-35.6	0	0	0	110.6	Q325 L330	Q325-P328 WeakPolarHBondContact CG-O 3.39Å; Q325-P328 PolarHBondContact NE2-O 2.77Å; P328-L330 PolarHBondContact O-N 3.4Å
329	A	85	Confident	86.3	Confident	72 Å²	72	37.8 Å²	37.8	60%	0.595	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	125.5	-170	0	0	0	0	0	111.7
330	L	85.9	Confident	85.3	Confident	42 Å²	42	42.6 Å²	42.6	22%	0.22	23%	0.227	C	C	.	.			trans	-108.8	137.7	171.3	-64.3	-176.1	0	0	0	111.6	T223 D225 Q325 P328 G332	T223-L330 CarbonylContact O-C 3.59Å; T223-L330 WeakPolarHBondContact O-CA 3.3Å; D225-L330 HydrophobicContact CB-CB 4.37Å; D225-L330 HydrophobicContact CB-CD1 4.37Å; Q325-L330 HydrophobicContact CB-CB 4.33Å; Q325-L330 HydrophobicContact CB-CD1 4.26Å; Q325-L330 HydrophobicContact CB-CG 4.28Å; Q325-L330 PolarHBondContact O-N 2.85Å; P328-L330 PolarHBondContact O-N 3.4Å; L330-G332 PolarHBondContact O-N 3.27Å; L330-G332 VanDerWaalsContact O-N 3.13Å
331	S	83.5	Confident	83.8	Confident	45 Å²	45	46.8 Å²	46.8	32%	0.315	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-72.5	97.6	168.7	-56	0	0	0	0	109.1	L192 T223 V224 D225	L192-S331 WeakPolarHBondContact CD1-O 3.44Å; T223-S331 PolarHBondContact O-N 2.85Å; V224-S331 WeakPolarHBondContact CA-O 3.28Å; D225-S331 PolarHBondContact N-O 3.08Å; D225-S331 VanDerWaalsContact N-O 3.07Å
332	G	85	Confident	82.1	Confident	7 Å²	7	52.8 Å²	52.8	7%	0.072	28%	0.28	C	S	.	.			trans	169.4	151.1	176.1	0	0	0	0	0	111.1	W324 L330	W324-G332 WeakPolarHBondContact CB-O 3.39Å; L330-G332 PolarHBondContact O-N 3.27Å; L330-G332 VanDerWaalsContact O-N 3.13Å
333	R	88.4	Confident	80.5	Confident	62 Å²	62	58.5 Å²	58.5	23%	0.234	31%	0.311	C	S	.	.			trans	-139.1	115.7	169.9	-63.1	-169.3	-178.3	-149	-4.7	108.5	I204 Q322 W324	I204-R333 HydrophobicContact CG2-CB 4.04Å; I204-R333 HydrophobicContact CG2-CG 3.9Å; Q322-R333 VanDerWaalsContact OE1-CD 3.27Å; W324-R333 HydrophobicContact CB-CG 4.18Å; W324-R333 HydrophobicContact CD2-CG 4.45Å; W324-R333 HydrophobicContact CE3-CG 4.33Å; W324-R333 HydrophobicContact CG-CG 4.42Å
334	R	89.3	Confident	79.1	Confident	3 Å²	3	65.4 Å²	65.4	1%	0.011	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	135.4	174.7	-53.1	-159.2	179.9	170	13.9	108.9	W194 D225 H227 W253 Q322 V323	W194-R334 HydrophobicContact CE3-CB 4.41Å; W194-R334 HydrophobicContact CE3-CG 4.44Å; W194-R334 HydrophobicContact CH2-CB 3.47Å; W194-R334 VanDerWaalsContact CH2-CB 3.47Å; W194-R334 HydrophobicContact CH2-CG 3.59Å; W194-R334 HydrophobicContact CZ2-CB 3.99Å; W194-R334 HydrophobicContact CZ3-CB 3.72Å; W194-R334 HydrophobicContact CZ3-CG 3.52Å; D225-R334 IonicContact OD1-CZ 2.64Å; D225-R334 IonicContact OD1-NE 3.18Å; D225-R334 IonicContact OD1-NH2 2.65Å; D225-R334 PolarHBondContact OD1-NH2 3.38Å; D225-R334 IonicContact OD2-CZ 3.86Å; D225-R334 IonicContact OD2-NE 2.77Å; D225-R334 PolarHBondContact OD2-NE 2.95Å; D225-R334 IonicContact OD2-NH2 2.82Å; D225-R334 PolarHBondContact OD2-NH2 3.29Å; H227-R334 VanDerWaalsContact CD2-CZ 3.5Å; H227-R334 PolarHBondContact CD2-NH1 3.29Å; H227-R334 VanDerWaalsContact CD2-NH1 3.34Å; W253-R334 VanDerWaalsContact CE2-CZ 3.48Å; W253-R334 HydrophobicContact CH2-CB 4.36Å; W253-R334 HydrophobicContact CH2-CG 3.67Å; W253-R334 HydrophobicContact CZ2-CG 3.93Å; W253-R334 VanDerWaalsContact CZ2-NE 3.31Å; W253-R334 VanDerWaalsContact NE1-NH2 3.11Å; W253-R334 PolarHBondContact O-NH1 3.17Å; W253-R334 PolarHBondContact O-NH2 2.73Å; W253-R334 VanDerWaalsContact O-NH2 3.14Å; Q322-R334 CarbonylContact C-O 3.58Å; Q322-R334 WeakPolarHBondContact CA-O 3.45Å; V323-R334 PolarHBondContact N-O 3.49Å; V323-R334 PolarHBondContact O-N 2.84Å
335	I	89.3	Confident	77.8	Confident	7 Å²	7	72.1 Å²	72.1	4%	0.036	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	110.8	179.1	-53.1	172.6	0	0	0	108.3	W194 I202 C288 C320 Q322	W194-I335 HydrophobicContact CB-CD1 4.07Å; W194-I335 HydrophobicContact CB-CG1 4.41Å; W194-I335 HydrophobicContact CG-CB 4.27Å; W194-I335 HydrophobicContact CG-CD1 4.15Å; W194-I335 HydrophobicContact CG-CG1 4.1Å; W194-I335 PolarHBondContact NE1-O 2.97Å; I202-I335 HydrophobicContact CB-CD1 4.19Å; I202-I335 HydrophobicContact CD1-CD1 4.12Å; I202-I335 HydrophobicContact CG2-CD1 3.67Å; C288-I335 HydrophobicContact CB-CD1 4.03Å; C288-I335 HydrophobicContact CB-CG2 4.37Å; C320-I335 HydrophobicContact CB-CG2 4.14Å; Q322-I335 HydrophobicContact CG-CG1 4.2Å
336	L	88.3	Confident	76.8	Confident	28 Å²	28	73 Å²	73	15%	0.147	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.4	-178.6	-56.5	179.2	0	0	0	109.3	A255 I257 C320 V321 V323	A255-L336 HydrophobicContact CB-CD1 3.94Å; A255-L336 WeakPolarHBondContact O-CD1 3.3Å; I257-L336 HydrophobicContact CD1-CB 3.82Å; I257-L336 HydrophobicContact CG1-CB 4.09Å; I257-L336 HydrophobicContact CG2-CB 4Å; I257-L336 HydrophobicContact CG2-CD1 3.92Å; C320-L336 CarbonylContact C-O 3.54Å; C320-L336 WeakPolarHBondContact CA-O 3.3Å; C320-L336 WeakPolarHBondContact CB-O 3.48Å; V321-L336 PolarHBondContact N-O 3.46Å; V321-L336 PolarHBondContact O-N 3.09Å; V323-L336 HydrophobicContact CG2-CD1 3.94Å; V323-L336 HydrophobicContact CG2-CG 4.49Å
337	C	86.1	Confident	76.1	Confident	41 Å²	41	76 Å²	76	28%	0.277	39%	0.394	S	S	.	.			trans	-118.6	129.1	-179.9	-63.3	0	0	0	0	109.6	M196 C320	M196-C337 HydrophobicContact CE-CB 4.11Å; C320-C337 HydrophobicContact CB-CB 4.03Å; C320-C337 WeakPolarHBondContact CB-SG 3.31Å; C320-C337 WeakPolarHBondContact SG-CB 3.49Å; C320-C337 CovalentContact SG-SG 2.04Å; C320-C337 PolarHBondContact SG-SG 2.93Å
338	P	79.9	Confident	75.8	Confident	21 Å²	21	75.2 Å²	75.2	14%	0.136	39%	0.391	C	S	.	.			trans	-79.1	148.1	-174.6	30.9	-34.1	0	0	0	112	I257 M264 Y340	I257-P338 HydrophobicContact CD1-CB 3.93Å; I257-P338 HydrophobicContact CD1-CG 4.3Å; M264-P338 HydrophobicContact CE-CG 3.87Å; M264-P338 HydrophobicContact SD-CG 4.05Å; P338-Y340 VanDerWaalsContact C-N 3.29Å; P338-Y340 HydrophobicContact CG-CD2 4.24Å; P338-Y340 HydrophobicContact CG-CE1 4.27Å; P338-Y340 HydrophobicContact CG-CE2 3.61Å; P338-Y340 VanDerWaalsContact O-CD2 3.25Å; P338-Y340 WeakPolarHBondContact O-CD2 3.46Å; P338-Y340 PolarHBondContact O-N 2.96Å
339	D	69.7	Low	75.5	Confident	126 Å²	126	74.2 Å²	74.2	67%	0.674	39%	0.389	S	S	*	.			trans	-75.4	74.8	-178.9	-104.7	-51.3	0	0	0	113.1	T341 H342	D339-T341 PolarHBondContact O-N 2.79Å; D339-T341 PolarHBondContact OD1-OG1 2.87Å; D339-H342 PolarHBondContact O-N 3.2Å
340	Y	61.3	Low	75.5	Confident	100 Å²	100	74.9 Å²	74.9	39%	0.392	39%	0.385	S	S	.	.	H	α-helix	trans	-55.8	-18.8	171.4	-65.4	-70.3	0	0	0	113.4	S319 P338	S319-Y340 PolarHBondContact O-OH 3.29Å; P338-Y340 VanDerWaalsContact C-N 3.29Å; P338-Y340 HydrophobicContact CG-CD2 4.24Å; P338-Y340 HydrophobicContact CG-CE1 4.27Å; P338-Y340 HydrophobicContact CG-CE2 3.61Å; P338-Y340 VanDerWaalsContact O-CD2 3.25Å; P338-Y340 WeakPolarHBondContact O-CD2 3.46Å; P338-Y340 PolarHBondContact O-N 2.96Å
341	T	55.2	Low	75.4	Confident	92 Å²	92	74.6 Å²	74.6	56%	0.564	39%	0.393	S	S	*	.	H	α-helix	trans	-67.2	-41.7	-178.3	62.1	0	0	0	0	112.9	D339	D339-T341 PolarHBondContact O-N 2.79Å; D339-T341 PolarHBondContact OD1-OG1 2.87Å
342	H	55	Low	75.6	Confident	125 Å²	125	76.9 Å²	76.9	58%	0.579	40%	0.404	S	S	*	.	H	α-helix	trans	-81.3	-36.6	-167.4	-151.6	-93.3	0	0	0	112.7	D339 R344 R345	D339-H342 PolarHBondContact O-N 3.2Å; H342-R344 VanDerWaalsContact C-N 3.3Å; H342-R344 PolarHBondContact O-N 3.02Å; H342-R345 WeakPolarHBondContact O-CB 3.33Å; H342-R345 PolarHBondContact O-N 3.26Å
343	N	56.5	Low	75.8	Confident	125 Å²	125	82 Å²	82	67%	0.668	43%	0.43	S	S	*	.	H	α-helix	trans	-61.6	-36.9	-177	-163.5	11.9	0	0	0	112.3	R345 G346 V347	N343-R345 VanDerWaalsContact C-N 3.3Å; N343-R345 PolarHBondContact O-N 3.27Å; N343-G346 PolarHBondContact O-N 3.35Å; N343-V347 PolarHBondContact O-N 3.35Å
344	R	62.1	Low	75.9	Confident	146 Å²	146	84.1 Å²	84.1	55%	0.551	45%	0.445	S	S	*	.	H	α-helix	trans	-62.8	-33.6	176.1	-65.6	-168.2	-175.9	-177.4	6	112.5	E317 H342 G346 V347 Y348	E317-R344 IonicContact OE1-NH2 3.17Å; H342-R344 VanDerWaalsContact C-N 3.3Å; H342-R344 PolarHBondContact O-N 3.02Å; R344-G346 PolarHBondContact O-N 3.37Å; R344-V347 PolarHBondContact O-N 2.78Å; R344-Y348 HydrophobicContact CB-CD2 4.33Å; R344-Y348 HydrophobicContact CB-CE2 3.92Å; R344-Y348 WeakPolarHBondContact O-CD2 3.44Å; R344-Y348 PolarHBondContact O-N 3.27Å
345	R	64.6	Low	75.9	Confident	171 Å²	171	89.2 Å²	89.2	65%	0.645	47%	0.472	S	S	*	.	H	α-helix	trans	-63	-40	178.5	-66.2	-177.4	174.8	178.2	-2.1	112.4	H342 N343 Y348 A349	H342-R345 WeakPolarHBondContact O-CB 3.33Å; H342-R345 PolarHBondContact O-N 3.26Å; N343-R345 VanDerWaalsContact C-N 3.3Å; N343-R345 PolarHBondContact O-N 3.27Å; R345-Y348 PolarHBondContact O-N 2.87Å; R345-A349 WeakPolarHBondContact O-CB 3.45Å; R345-A349 PolarHBondContact O-N 3.41Å
346	G	67.8	Low	76	Confident	40 Å²	40	92.4 Å²	92.4	41%	0.412	49%	0.491	S	S	.	.	H	α-helix	trans	-62.5	-44.2	174.5	0	0	0	0	0	112.3	N343 R344 Y348 A349 V350	N343-G346 PolarHBondContact O-N 3.35Å; R344-G346 PolarHBondContact O-N 3.37Å; G346-Y348 PolarHBondContact O-N 2.9Å; G346-A349 PolarHBondContact O-N 3.11Å; G346-V350 WeakPolarHBondContact O-CG2 3.35Å; G346-V350 PolarHBondContact O-N 3.4Å
347	V	74.7	Confident	76.1	Confident	99 Å²	99	94.8 Å²	94.8	60%	0.6	51%	0.507	S	S	*	.	H	α-helix	trans	-63.3	-41.7	176.3	179.4	0	0	0	0	111.7	N343 R344 V350 G351	N343-V347 PolarHBondContact O-N 3.35Å; R344-V347 PolarHBondContact O-N 2.78Å; V347-V350 PolarHBondContact O-N 3.29Å; V347-G351 PolarHBondContact O-N 2.84Å
348	Y	77.9	Confident	76.2	Confident	156 Å²	156	97.4 Å²	97.4	61%	0.612	52%	0.517	S	S	*	.	H	α-helix	trans	-64.2	-40.5	173.9	-67.9	-54.9	0	0	0	112.4	R344 R345 G346 G351 V352	R344-Y348 HydrophobicContact CB-CD2 4.33Å; R344-Y348 HydrophobicContact CB-CE2 3.92Å; R344-Y348 WeakPolarHBondContact O-CD2 3.44Å; R344-Y348 PolarHBondContact O-N 3.27Å; R345-Y348 PolarHBondContact O-N 2.87Å; G346-Y348 PolarHBondContact O-N 2.9Å; Y348-G351 PolarHBondContact O-N 3.02Å; Y348-V352 WeakPolarHBondContact O-CG2 3.44Å; Y348-V352 PolarHBondContact O-N 3Å
349	A	80.7	Confident	76.6	Confident	51 Å²	51	99.8 Å²	99.8	42%	0.421	53%	0.533	S	S	.	.	H	α-helix	trans	-63.2	-42.2	176.3	0	0	0	0	0	112.3	R345 G346 V352 L353	R345-A349 WeakPolarHBondContact O-CB 3.45Å; R345-A349 PolarHBondContact O-N 3.41Å; G346-A349 PolarHBondContact O-N 3.11Å; A349-V352 PolarHBondContact O-N 3.39Å; A349-L353 WeakPolarHBondContact O-CB 3.03Å; A349-L353 WeakPolarHBondContact O-CG 3.43Å; A349-L353 PolarHBondContact O-N 3.09Å
350	V	83.9	Confident	77.4	Confident	85 Å²	85	99.6 Å²	99.6	52%	0.515	53%	0.53	S	S	.	.	H	α-helix	trans	-65.5	-39.9	173.9	172.7	0	0	0	0	111.4	G346 V347 L353 L354	G346-V350 WeakPolarHBondContact O-CG2 3.35Å; G346-V350 PolarHBondContact O-N 3.4Å; V347-V350 PolarHBondContact O-N 3.29Å; V350-L353 PolarHBondContact O-N 2.97Å; V350-L354 HydrophobicContact CG1-CD1 4.09Å; V350-L354 WeakPolarHBondContact O-CB 3.46Å; V350-L354 WeakPolarHBondContact O-CG 3.47Å; V350-L354 PolarHBondContact O-N 3.27Å
351	G	85.1	Confident	78.5	Confident	37 Å²	37	100.3 Å²	100.3	38%	0.381	54%	0.54	S	S	.	.	H	α-helix	trans	-62.6	-42.9	174.7	0	0	0	0	0	113.1	V347 Y348 L354 L355	V347-G351 PolarHBondContact O-N 2.84Å; Y348-G351 PolarHBondContact O-N 3.02Å; G351-L354 PolarHBondContact O-N 3.32Å; G351-L355 WeakPolarHBondContact O-CB 3.42Å; G351-L355 PolarHBondContact O-N 3.38Å
352	V	87.5	Confident	79.9	Confident	92 Å²	92	100.6 Å²	100.6	56%	0.558	54%	0.537	S	S	*	.	H	α-helix	trans	-65.6	-42.9	174.3	170.2	0	0	0	0	111.1	Y348 A349 L355 V356	Y348-V352 WeakPolarHBondContact O-CG2 3.44Å; Y348-V352 PolarHBondContact O-N 3Å; A349-V352 PolarHBondContact O-N 3.39Å; V352-L355 PolarHBondContact O-N 2.95Å; V352-V356 HydrophobicContact CG1-CG2 4.35Å; V352-V356 WeakPolarHBondContact O-CB 3.48Å; V352-V356 VanDerWaalsContact O-CG2 3.31Å; V352-V356 WeakPolarHBondContact O-CG2 3.25Å; V352-V356 PolarHBondContact O-N 3.1Å
353	L	89.2	Confident	81.2	Confident	116 Å²	116	96.4 Å²	96.4	61%	0.607	53%	0.529	S	S	*	.	H	α-helix	trans	-60.5	-45	175	-82.3	164.7	0	0	0	112.2	A349 V350 V356 V357	A349-L353 WeakPolarHBondContact O-CB 3.03Å; A349-L353 WeakPolarHBondContact O-CG 3.43Å; A349-L353 PolarHBondContact O-N 3.09Å; V350-L353 PolarHBondContact O-N 2.97Å; L353-V356 PolarHBondContact O-N 2.83Å; L353-V357 WeakPolarHBondContact O-CG2 3.45Å; L353-V357 PolarHBondContact O-N 2.85Å
354	L	90	Very high	82.2	Confident	106 Å²	106	93.6 Å²	93.6	56%	0.555	52%	0.518	S	S	*	.	H	α-helix	trans	-61	-43.9	174.8	-79.7	165.9	0	0	0	111.7	V350 G351 V357 I358	V350-L354 HydrophobicContact CG1-CD1 4.09Å; V350-L354 WeakPolarHBondContact O-CB 3.46Å; V350-L354 WeakPolarHBondContact O-CG 3.47Å; V350-L354 PolarHBondContact O-N 3.27Å; G351-L354 PolarHBondContact O-N 3.32Å; L354-V357 PolarHBondContact O-N 3.47Å; L354-I358 WeakPolarHBondContact O-CB 3.32Å; L354-I358 WeakPolarHBondContact O-CD1 3.05Å; L354-I358 VanDerWaalsContact O-CG1 3.3Å; L354-I358 WeakPolarHBondContact O-CG1 3.4Å; L354-I358 PolarHBondContact O-N 3.14Å
355	L	89.1	Confident	82.6	Confident	109 Å²	109	92.2 Å²	92.2	57%	0.571	52%	0.516	S	S	*	.	H	α-helix	trans	-64.9	-41.8	177.8	-170.4	146.8	0	0	0	111.6	G351 V352 I358 C359	G351-L355 WeakPolarHBondContact O-CB 3.42Å; G351-L355 PolarHBondContact O-N 3.38Å; V352-L355 PolarHBondContact O-N 2.95Å; L355-I358 PolarHBondContact O-N 2.85Å; L355-C359 WeakPolarHBondContact O-CB 3.04Å; L355-C359 PolarHBondContact O-N 3.38Å; L355-C359 PolarHBondContact O-SG 3.45Å
356	V	90.8	Very high	83	Confident	74 Å²	74	89 Å²	89	45%	0.448	51%	0.511	S	S	.	.	H	α-helix	trans	-62.2	-43.1	173.6	168.8	0	0	0	0	111.2	V352 L353 C359 M360	V352-V356 HydrophobicContact CG1-CG2 4.35Å; V352-V356 WeakPolarHBondContact O-CB 3.48Å; V352-V356 VanDerWaalsContact O-CG2 3.31Å; V352-V356 WeakPolarHBondContact O-CG2 3.25Å; V352-V356 PolarHBondContact O-N 3.1Å; L353-V356 PolarHBondContact O-N 2.83Å; V356-C359 PolarHBondContact O-N 2.87Å; V356-M360 HydrophobicContact CG1-CG 4.36Å; V356-M360 WeakPolarHBondContact O-CB 3.35Å; V356-M360 VanDerWaalsContact O-CG 3.28Å; V356-M360 WeakPolarHBondContact O-CG 3.36Å; V356-M360 PolarHBondContact O-N 3.31Å
357	V	90.7	Very high	83	Confident	79 Å²	79	92.4 Å²	92.4	48%	0.479	52%	0.516	S	S	.	.	H	α-helix	trans	-62.6	-42.9	175.2	168.8	0	0	0	0	111.2	L353 L354 M360 L361	L353-V357 WeakPolarHBondContact O-CG2 3.45Å; L353-V357 PolarHBondContact O-N 2.85Å; L354-V357 PolarHBondContact O-N 3.47Å; V357-M360 PolarHBondContact O-N 2.8Å; V357-L361 HydrophobicContact CG1-CD1 3.95Å; V357-L361 HydrophobicContact CG1-CG 4.44Å; V357-L361 WeakPolarHBondContact O-CB 3.04Å; V357-L361 VanDerWaalsContact O-CG 3.28Å; V357-L361 WeakPolarHBondContact O-CG 3.45Å; V357-L361 PolarHBondContact O-N 2.86Å
358	I	88.1	Confident	82.5	Confident	95 Å²	95	96.6 Å²	96.6	49%	0.487	52%	0.52	S	S	.	.	H	α-helix	trans	-62.3	-45.8	175.2	-71.4	159.6	0	0	0	110.8	L354 L355 M360 L361 L362	L354-I358 WeakPolarHBondContact O-CB 3.32Å; L354-I358 WeakPolarHBondContact O-CD1 3.05Å; L354-I358 VanDerWaalsContact O-CG1 3.3Å; L354-I358 WeakPolarHBondContact O-CG1 3.4Å; L354-I358 PolarHBondContact O-N 3.14Å; L355-I358 PolarHBondContact O-N 2.85Å; I358-M360 PolarHBondContact O-N 3.03Å; I358-L361 PolarHBondContact O-N 3.11Å; I358-L362 HydrophobicContact CG2-CD1 3.82Å; I358-L362 HydrophobicContact CG2-CG 4.39Å; I358-L362 WeakPolarHBondContact O-CB 3.45Å; I358-L362 VanDerWaalsContact O-CG 3.31Å; I358-L362 WeakPolarHBondContact O-CG 3.45Å; I358-L362 PolarHBondContact O-N 3.33Å
359	C	88.2	Confident	81.5	Confident	71 Å²	71	91.8 Å²	91.8	48%	0.48	51%	0.513	S	S	.	.	H	α-helix	trans	-62.7	-38.4	175.7	-72.1	0	0	0	0	112.6	L355 V356 G363	L355-C359 WeakPolarHBondContact O-CB 3.04Å; L355-C359 PolarHBondContact O-N 3.38Å; L355-C359 PolarHBondContact O-SG 3.45Å; V356-C359 PolarHBondContact O-N 2.87Å; C359-G363 PolarHBondContact O-N 3.46Å
360	M	87.2	Confident	80.3	Confident	123 Å²	123	94.3 Å²	94.3	61%	0.606	52%	0.523	S	S	*	.	H	α-helix	trans	-69.3	-36.1	175.4	-74.3	-65.1	-70.2	0	0	112.2	V356 V357 I358 C364	V356-M360 HydrophobicContact CG1-CG 4.36Å; V356-M360 WeakPolarHBondContact O-CB 3.35Å; V356-M360 VanDerWaalsContact O-CG 3.28Å; V356-M360 WeakPolarHBondContact O-CG 3.36Å; V356-M360 PolarHBondContact O-N 3.31Å; V357-M360 PolarHBondContact O-N 2.8Å; I358-M360 PolarHBondContact O-N 3.03Å; M360-C364 VanDerWaalsContact O-CB 3.26Å; M360-C364 WeakPolarHBondContact O-CB 3.46Å; M360-C364 PolarHBondContact O-N 2.86Å; M360-C364 PolarHBondContact O-SG 2.84Å
361	L	84.3	Confident	78.5	Confident	114 Å²	114	98 Å²	98	60%	0.597	53%	0.532	S	S	*	.	H	α-helix	trans	-68.9	-44.9	174.1	-73.4	169.9	0	0	0	111.5	V357 I358 C364 F365	V357-L361 HydrophobicContact CG1-CD1 3.95Å; V357-L361 HydrophobicContact CG1-CG 4.44Å; V357-L361 WeakPolarHBondContact O-CB 3.04Å; V357-L361 VanDerWaalsContact O-CG 3.28Å; V357-L361 WeakPolarHBondContact O-CG 3.45Å; V357-L361 PolarHBondContact O-N 2.86Å; I358-L361 PolarHBondContact O-N 3.11Å; L361-C364 PolarHBondContact O-N 2.88Å; L361-F365 WeakPolarHBondContact O-CB 3.47Å; L361-F365 PolarHBondContact O-N 3.37Å
362	L	84.7	Confident	76.7	Confident	98 Å²	98	100.1 Å²	100.1	51%	0.513	54%	0.541	S	S	.	.	H	α-helix	trans	-62.9	-44.3	174.2	-71.5	169.9	0	0	0	111.4	I358 F365 I366	I358-L362 HydrophobicContact CG2-CD1 3.82Å; I358-L362 HydrophobicContact CG2-CG 4.39Å; I358-L362 WeakPolarHBondContact O-CB 3.45Å; I358-L362 VanDerWaalsContact O-CG 3.31Å; I358-L362 WeakPolarHBondContact O-CG 3.45Å; I358-L362 PolarHBondContact O-N 3.33Å; L362-F365 PolarHBondContact O-N 2.84Å; L362-F365 VanDerWaalsContact O-N 3.14Å; L362-I366 WeakPolarHBondContact O-CB 3.3Å; L362-I366 VanDerWaalsContact O-CG1 3.3Å; L362-I366 WeakPolarHBondContact O-CG1 3.14Å; L362-I366 PolarHBondContact O-N 3.33Å
363	G	82.6	Confident	74.5	Confident	38 Å²	38	98.1 Å²	98.1	39%	0.392	54%	0.54	S	S	.	.	H	α-helix	trans	-60.7	-44.5	174.4	0	0	0	0	0	112.3	C359 F365 H367	C359-G363 PolarHBondContact O-N 3.46Å; G363-F365 VanDerWaalsContact C-N 3.32Å; G363-F365 PolarHBondContact O-N 3.28Å; G363-H367 WeakPolarHBondContact O-CB 3.39Å; G363-H367 PolarHBondContact O-N 2.89Å
364	C	77.4	Confident	72.3	Confident	65 Å²	65	98.6 Å²	98.6	44%	0.439	54%	0.54	S	S	.	.	H	α-helix	trans	-61.1	-38.8	171.8	-75.2	0	0	0	0	112.7	M360 L361 R368	M360-C364 VanDerWaalsContact O-CB 3.26Å; M360-C364 WeakPolarHBondContact O-CB 3.46Å; M360-C364 PolarHBondContact O-N 2.86Å; M360-C364 PolarHBondContact O-SG 2.84Å; L361-C364 PolarHBondContact O-N 2.88Å; C364-R368 VanDerWaalsContact O-CB 3.3Å; C364-R368 WeakPolarHBondContact O-CB 3.42Å; C364-R368 VanDerWaalsContact O-CG 3.26Å; C364-R368 WeakPolarHBondContact O-CG 3.4Å; C364-R368 PolarHBondContact O-N 3.1Å
365	F	70.4	Confident	69.9	Low	117 Å²	117	97.6 Å²	97.6	51%	0.513	55%	0.548	S	S	.	.	H	α-helix	trans	-69.9	-46.1	-179.7	-163.6	-88.8	0	0	0	111.3	L361 L362 G363 R368 A369 W609	L361-F365 WeakPolarHBondContact O-CB 3.47Å; L361-F365 PolarHBondContact O-N 3.37Å; L362-F365 PolarHBondContact O-N 2.84Å; L362-F365 VanDerWaalsContact O-N 3.14Å; G363-F365 VanDerWaalsContact C-N 3.32Å; G363-F365 PolarHBondContact O-N 3.28Å; F365-R368 PolarHBondContact O-N 3.27Å; F365-A369 WeakPolarHBondContact O-CB 2.92Å; F365-A369 PolarHBondContact O-N 3.3Å; F365-W609 HydrophobicContact CE2-CZ3 4.34Å
366	I	72.8	Confident	67.8	Low	105 Å²	105	96 Å²	96	54%	0.538	56%	0.557	S	S	.	*	H	α-helix	trans	-64.5	-49.4	176	-65.8	164.3	0	0	0	110.4	L362 R368 A369 T370	L362-I366 WeakPolarHBondContact O-CB 3.3Å; L362-I366 VanDerWaalsContact O-CG1 3.3Å; L362-I366 WeakPolarHBondContact O-CG1 3.14Å; L362-I366 PolarHBondContact O-N 3.33Å; I366-R368 VanDerWaalsContact C-N 3.28Å; I366-R368 PolarHBondContact O-N 2.96Å; I366-A369 CarbonylContact O-C 3.6Å; I366-A369 PolarHBondContact O-N 2.83Å; I366-A369 VanDerWaalsContact O-N 3.1Å; I366-T370 HydrophobicContact CG2-CG2 4.39Å; I366-T370 PolarHBondContact O-N 2.88Å; I366-T370 PolarHBondContact O-OG1 2.86Å; I366-T370 VanDerWaalsContact O-OG1 3.09Å
367	H	68.5	Low	66	Low	111 Å²	111	95.6 Å²	95.6	51%	0.514	56%	0.557	S	S	.	*	H	α-helix	trans	-60.7	-35.3	177	171.8	-88.2	0	0	0	112.3	G363 T370 K371	G363-H367 WeakPolarHBondContact O-CB 3.39Å; G363-H367 PolarHBondContact O-N 2.89Å; H367-T370 PolarHBondContact O-OG1 3.47Å; H367-K371 WeakPolarHBondContact O-CB 3.25Å; H367-K371 PolarHBondContact O-N 3.32Å
368	R	64	Low	64.3	Low	186 Å²	186	93.4 Å²	93.4	70%	0.702	54%	0.543	S	S	*	.	H	α-helix	trans	-67.4	-49.5	170.9	-78	179.7	-177.8	-166.2	2	110.9	C364 F365 I366 T370 K371 S372	C364-R368 VanDerWaalsContact O-CB 3.3Å; C364-R368 WeakPolarHBondContact O-CB 3.42Å; C364-R368 VanDerWaalsContact O-CG 3.26Å; C364-R368 WeakPolarHBondContact O-CG 3.4Å; C364-R368 PolarHBondContact O-N 3.1Å; F365-R368 PolarHBondContact O-N 3.27Å; I366-R368 VanDerWaalsContact C-N 3.28Å; I366-R368 PolarHBondContact O-N 2.96Å; R368-T370 VanDerWaalsContact C-N 3.26Å; R368-T370 PolarHBondContact O-N 3.28Å; R368-K371 PolarHBondContact O-N 2.9Å; R368-S372 WeakPolarHBondContact O-CB 3.49Å; R368-S372 PolarHBondContact O-N 3.37Å; R368-S372 PolarHBondContact O-OG 2.91Å
369	A	56.4	Low	62.9	Low	56 Å²	56	91.3 Å²	91.3	46%	0.463	53%	0.534	S	S	.	.	H	α-helix	trans	-62.5	-26.9	-179.9	0	0	0	0	0	114.2	F365 I366	F365-A369 WeakPolarHBondContact O-CB 2.92Å; F365-A369 PolarHBondContact O-N 3.3Å; I366-A369 CarbonylContact O-C 3.6Å; I366-A369 PolarHBondContact O-N 2.83Å; I366-A369 VanDerWaalsContact O-N 3.1Å
370	T	55.1	Low	61.8	Low	103 Å²	103	88 Å²	88	63%	0.632	51%	0.512	S	S	*	.	H	α-helix	trans	-89.3	-32.6	174.3	56.9	0	0	0	0	113.4	I366 H367 R368	I366-T370 HydrophobicContact CG2-CG2 4.39Å; I366-T370 PolarHBondContact O-N 2.88Å; I366-T370 PolarHBondContact O-OG1 2.86Å; I366-T370 VanDerWaalsContact O-OG1 3.09Å; H367-T370 PolarHBondContact O-OG1 3.47Å; R368-T370 VanDerWaalsContact C-N 3.26Å; R368-T370 PolarHBondContact O-N 3.28Å
371	K	46	Very low	60.8	Low	162 Å²	162	90.6 Å²	90.6	70%	0.704	52%	0.522	S	S	*	.	H	α-helix	trans	-82.5	-29.7	177.8	-169.9	165.7	-176.9	168.7	0	113.4	H367 R368 G373	H367-K371 WeakPolarHBondContact O-CB 3.25Å; H367-K371 PolarHBondContact O-N 3.32Å; R368-K371 PolarHBondContact O-N 2.9Å; K371-G373 PolarHBondContact O-N 3.43Å
372	S	46.8	Very low	60.6	Low	82 Å²	82	88 Å²	88	57%	0.573	51%	0.505	S	S	*	.	S	Bend	trans	-85.6	86.9	160.1	68.9	0	0	0	0	108.5	R368	R368-S372 WeakPolarHBondContact O-CB 3.49Å; R368-S372 PolarHBondContact O-N 3.37Å; R368-S372 PolarHBondContact O-OG 2.91Å
373	G	42.5	Very low	60.5	Low	51 Å²	51	84 Å²	84	53%	0.526	49%	0.485	S	S	.	.			trans	-51.4	144.6	170.4	0	0	0	0	0	111	K371 A375 G376	K371-G373 PolarHBondContact O-N 3.43Å; G373-A375 PolarHBondContact O-N 2.89Å; G373-G376 PolarHBondContact O-N 3.25Å
374	M	41.9	Very low	60.7	Low	125 Å²	125	82.3 Å²	82.3	62%	0.616	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-58.4	-20	-166.4	-74.5	157.2	53.1	0	0	115.1	G376 W620	M374-G376 PolarHBondContact O-N 2.94Å; M374-W620 HydrophobicContact CE-CH2 4.04Å; M374-W620 HydrophobicContact CE-CZ3 4.13Å
375	A	39.7	Very low	61.3	Low	86 Å²	86	79.2 Å²	79.2	71%	0.711	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-60.4	-1.4	178.9	0	0	0	0	0	116.3	G373	G373-A375 PolarHBondContact O-N 2.89Å
376	G	46.8	Very low	62.3	Low	75 Å²	75	73.7 Å²	73.7	77%	0.773	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-90.2	-10.4	-168.8	0	0	0	0	0	118.5	G373 M374	G373-G376 PolarHBondContact O-N 3.25Å; M374-G376 PolarHBondContact O-N 2.94Å
377	C	52.7	Low	63.1	Low	66 Å²	66	68.7 Å²	68.7	45%	0.446	40%	0.396	S	S	.	.	S	Bend	trans	-124.4	-23.5	-162.9	-161.9	0	0	0	0	117.5
378	L	55.3	Low	64.1	Low	33 Å²	33	63.8 Å²	63.8	17%	0.173	37%	0.374	C	S	.	.			trans	-147	59.5	-176.4	-72.2	179.1	0	0	0	111.7	L410 I589 A593 L617	L378-L410 HydrophobicContact CB-CD2 3.99Å; L378-L410 WeakPolarHBondContact O-CD2 3.14Å; L378-I589 HydrophobicContact CD1-CG2 4.35Å; L378-A593 HydrophobicContact CD2-CB 4.41Å; L378-L617 HydrophobicContact CD1-CB 4.45Å; L378-L617 HydrophobicContact CD1-CD2 4.07Å
379	T	58.8	Low	65.3	Low	50 Å²	50	55.2 Å²	55.2	31%	0.307	34%	0.343	S	S	.	.			trans	-87.6	130.4	171.1	45.6	0	0	0	0	111.2	Q381 L410 D411	T379-Q381 PolarHBondContact O-N 2.96Å; T379-L410 WeakPolarHBondContact CA-O 3.38Å; T379-D411 HydrophobicContact CG2-CB 4.11Å
380	I	64.4	Low	66.7	Low	3 Å²	3	52.7 Å²	52.7	2%	0.015	32%	0.321	C	S	.	.			trans	-92.6	88.5	-179.2	-61	173.2	0	0	0	108.7	R382 V384 L406 L410 A412 I589 L592	I380-R382 PolarHBondContact O-N 3.43Å; I380-V384 HydrophobicContact CG2-CG2 4.29Å; I380-L406 HydrophobicContact CD1-CD2 4.02Å; I380-L410 HydrophobicContact CD1-CB 4.01Å; I380-L410 HydrophobicContact CD1-CD1 4.07Å; I380-L410 HydrophobicContact CD1-CG 4.48Å; I380-L410 HydrophobicContact CG1-CB 4.36Å; I380-L410 PolarHBondContact N-O 3.14Å; I380-A412 HydrophobicContact CB-CB 3.89Å; I380-A412 HydrophobicContact CD1-CB 4.43Å; I380-A412 HydrophobicContact CG2-CB 4.09Å; I380-I589 HydrophobicContact CD1-CD1 4.22Å; I380-L592 HydrophobicContact CD1-CB 3.96Å; I380-L592 HydrophobicContact CD1-CD1 4.23Å; I380-L592 HydrophobicContact CG1-CB 4.43Å; I380-L592 HydrophobicContact CG2-CB 4.23Å
381	Q	65.6	Low	67.9	Low	176 Å²	176	50.8 Å²	50.8	82%	0.822	31%	0.307	S	S	*	.			trans	-71.7	-6.4	-173.9	-59.9	-172.1	-2.2	0	0	114.9	T379	T379-Q381 PolarHBondContact O-N 2.96Å
382	R	79.3	Confident	69.7	Low	61 Å²	61	47 Å²	47	23%	0.23	29%	0.292	C	S	.	.	S	Bend	trans	-108.6	136.7	-178	-56.6	-179.1	175.2	-142.1	-5	109.7	I380 Q453 E594	I380-R382 PolarHBondContact O-N 3.43Å; R382-Q453 WeakPolarHBondContact CD-O 3.45Å; R382-Q453 PolarHBondContact NH1-O 2.87Å; R382-Q453 VanDerWaalsContact NH2-OE1 3.11Å; R382-E594 IonicContact CZ-OE1 2.73Å; R382-E594 IonicContact CZ-OE2 2.77Å; R382-E594 IonicContact NE-OE2 3.73Å; R382-E594 PolarHBondContact NE-OE2 3.16Å; R382-E594 IonicContact NH2-OE1 2.78Å; R382-E594 PolarHBondContact NH2-OE1 2.82Å; R382-E594 IonicContact NH2-OE2 3.18Å; R382-E594 PolarHBondContact NH2-OE2 3.24Å
383	P	83.1	Confident	71.3	Confident	14 Å²	14	47.8 Å²	47.8	9%	0.091	30%	0.298	C	S	.	.			trans	-70	153.8	-175.7	31	-37	0	0	0	112.2	S413 V449 A452 G454 K455	P383-S413 CarbonylContact C-O 3.59Å; P383-S413 VanDerWaalsContact CA-O 3.28Å; P383-S413 WeakPolarHBondContact CA-O 3.48Å; P383-V449 HydrophobicContact CB-CG2 4.07Å; P383-V449 HydrophobicContact CG-CG2 4.06Å; P383-A452 HydrophobicContact CG-CB 3.51Å; P383-G454 VanDerWaalsContact O-CA 3.25Å; P383-G454 WeakPolarHBondContact O-CA 3.46Å; P383-K455 PolarHBondContact O-N 2.86Å
384	V	87.1	Confident	73.1	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	117.5	-173.6	-176.3	0	0	0	0	110.1	I380 S413 V414 H415 K455 L457 L592	I380-V384 HydrophobicContact CG2-CG2 4.29Å; V384-S413 PolarHBondContact N-O 3.37Å; V384-V414 CarbonylContact O-C 3.54Å; V384-V414 WeakPolarHBondContact O-CA 3.32Å; V384-H415 PolarHBondContact O-N 2.86Å; V384-K455 WeakPolarHBondContact CA-O 3.41Å; V384-L457 HydrophobicContact CG1-CD1 3.59Å; V384-L457 HydrophobicContact CG1-CG 3.73Å; V384-L592 HydrophobicContact CG1-CD2 4.42Å; V384-L592 HydrophobicContact CG2-CD2 3.95Å
385	L	90.1	Very high	75.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	116	176.6	176.4	58.7	0	0	0	110	V387 H415 W441 L442 Q445 W446 V449 K455 M456 L457	L385-V387 HydrophobicContact CG-CG2 4.29Å; L385-H415 WeakPolarHBondContact CA-O 3.33Å; L385-H415 HydrophobicContact CD1-CB 4.25Å; L385-W441 HydrophobicContact CD1-CH2 4.11Å; L385-W441 HydrophobicContact CD1-CZ3 4.32Å; L385-L442 HydrophobicContact CD2-CD1 3.9Å; L385-Q445 HydrophobicContact CD1-CB 4.15Å; L385-Q445 HydrophobicContact CD2-CB 4.48Å; L385-W446 HydrophobicContact CD2-CB 3.98Å; L385-W446 HydrophobicContact CD2-CE3 4.48Å; L385-V449 HydrophobicContact CB-CG1 4.46Å; L385-V449 HydrophobicContact CB-CG2 4.09Å; L385-K455 PolarHBondContact N-O 3.07Å; L385-M456 HydrophobicContact CB-CB 4.32Å; L385-M456 HydrophobicContact CB-CG 4.2Å; L385-M456 HydrophobicContact CD2-CG 4.12Å; L385-M456 HydrophobicContact CD2-SD 3.83Å; L385-M456 HydrophobicContact CG-CG 4.03Å; L385-M456 HydrophobicContact CG-SD 4.23Å; L385-M456 CarbonylContact O-C 3.52Å; L385-M456 VanDerWaalsContact O-CA 3.32Å; L385-M456 WeakPolarHBondContact O-CA 2.91Å; L385-M456 WeakPolarHBondContact O-CG 2.98Å; L385-L457 PolarHBondContact O-N 2.84Å
386	L	91.3	Very high	77.4	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	112.5	-175.9	-167.9	61.5	0	0	0	110.8	V399 L402 A403 V414 H415 T416 L457 V459	L386-V399 HydrophobicContact CD1-CG1 4.35Å; L386-V399 HydrophobicContact CD2-CG1 3.42Å; L386-V399 VanDerWaalsContact CD2-CG1 3.42Å; L386-V399 HydrophobicContact CG-CG1 3.64Å; L386-L402 HydrophobicContact CD1-CD2 4.34Å; L386-A403 HydrophobicContact CD2-CB 3.72Å; L386-V414 HydrophobicContact CB-CG1 4.3Å; L386-V414 HydrophobicContact CD2-CG1 4.37Å; L386-H415 PolarHBondContact N-O 3.18Å; L386-T416 HydrophobicContact CB-CG2 3.95Å; L386-T416 HydrophobicContact CD2-CG2 4.24Å; L386-L457 HydrophobicContact CD1-CB 3.66Å; L386-L457 HydrophobicContact CD1-CD1 4.28Å; L386-V459 HydrophobicContact CD1-CG2 3.6Å; L386-V459 HydrophobicContact CG-CG2 4.36Å
387	V	90.8	Very high	79.2	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121.6	-177.4	174.8	0	0	0	0	110.6	L385 L442 M456 L457 V459 V535 F536 A539	L385-V387 HydrophobicContact CG-CG2 4.29Å; V387-L442 HydrophobicContact CG2-CD1 4.18Å; V387-M456 HydrophobicContact CG2-CG 4.08Å; V387-M456 HydrophobicContact CG2-SD 3.58Å; V387-M456 VanDerWaalsContact CG2-SD 3.58Å; V387-L457 PolarHBondContact N-O 3.35Å; V387-V459 PolarHBondContact O-N 3.5Å; V387-V535 HydrophobicContact CG1-CG1 4.31Å; V387-V535 HydrophobicContact CG2-CG1 4.5Å; V387-F536 HydrophobicContact CG1-CD2 4.21Å; V387-A539 HydrophobicContact CG1-CB 3.87Å; V387-A539 HydrophobicContact CG2-CB 4.27Å
388	C	89.4	Confident	80.8	Confident	8 Å²	8	33 Å²	33	5%	0.054	18%	0.182	C	C	.	.			trans	-76.9	156.1	170.4	-62.8	0	0	0	0	111.1	L418 I532 F536	C388-L418 VanDerWaalsContact SG-CD1 3.51Å; C388-I532 HydrophobicContact CB-CB 4.32Å; C388-I532 HydrophobicContact CB-CD1 3.88Å; C388-I532 HydrophobicContact CB-CG1 3.87Å; C388-I532 HydrophobicContact CB-CG2 3.59Å; C388-F536 WeakPolarHBondContact O-CB 3.32Å
389	S	88.6	Confident	82.3	Confident	6 Å²	6	31.5 Å²	31.5	4%	0.042	17%	0.174	C	C	.	.			trans	-126.1	-0.9	177.6	63.2	0	0	0	0	115.1	V459 S461 F536	S389-V459 WeakPolarHBondContact CB-O 3.33Å; S389-V459 PolarHBondContact OG-O 3.4Å; S389-S461 WeakPolarHBondContact OG-CB 3.14Å; S389-S461 PolarHBondContact OG-N 2.93Å; S389-S461 PolarHBondContact OG-OG 3.29Å; S389-F536 VanDerWaalsContact CB-CE2 3.4Å
390	S	85.2	Confident	83.6	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.014	17%	0.172	C	C	.	.			trans	-153	141.5	-174.8	170.9	0	0	0	0	109.7	Q392 H395 S461 E463	S390-Q392 VanDerWaalsContact C-N 3.34Å; S390-Q392 WeakPolarHBondContact OG-CB 3.24Å; S390-Q392 WeakPolarHBondContact OG-CG 3.37Å; S390-Q392 PolarHBondContact OG-N 3.45Å; S390-H395 PolarHBondContact O-ND1 3.26Å; S390-H395 VanDerWaalsContact O-ND1 3.08Å; S390-S461 WeakPolarHBondContact CB-OG 3.5Å; S390-E463 WeakPolarHBondContact CB-OE2 3.39Å; S390-E463 PolarHBondContact OG-OE2 3.21Å
391	D	81.8	Confident	84.7	Confident	64 Å²	64	31.6 Å²	31.6	34%	0.342	18%	0.177	S	C	.	.			trans	-86.3	-4.7	177.7	-64.4	-51.7	0	0	0	112.7	S393 T530 I532	D391-S393 PolarHBondContact O-N 3.38Å; D391-T530 HydrophobicContact CB-CG2 4.29Å; D391-T530 VanDerWaalsContact CG-CB 3.48Å; D391-T530 VanDerWaalsContact CG-OG1 3.24Å; D391-T530 WeakPolarHBondContact OD1-CB 3.32Å; D391-T530 PolarHBondContact OD1-OG1 2.85Å; D391-T530 WeakPolarHBondContact OD2-CB 3.07Å; D391-T530 PolarHBondContact OD2-OG1 2.94Å; D391-I532 VanDerWaalsContact OD1-CB 3.3Å; D391-I532 WeakPolarHBondContact OD1-CB 3.08Å; D391-I532 WeakPolarHBondContact OD1-CD1 3.47Å
392	Q	82	Confident	85.8	Confident	83 Å²	83	23.2 Å²	23.2	39%	0.388	14%	0.138	S	C	.	.			trans	-57.2	129.6	178.5	-68.6	-179.2	8.7	0	0	110.9	S390 A394 H395 V396 E463	S390-Q392 VanDerWaalsContact C-N 3.34Å; S390-Q392 WeakPolarHBondContact OG-CB 3.24Å; S390-Q392 WeakPolarHBondContact OG-CG 3.37Å; S390-Q392 PolarHBondContact OG-N 3.45Å; Q392-A394 VanDerWaalsContact C-N 3.28Å; Q392-A394 PolarHBondContact O-N 3.03Å; Q392-H395 HydrophobicContact CB-CB 4.17Å; Q392-H395 WeakPolarHBondContact O-CA 3.45Å; Q392-H395 WeakPolarHBondContact O-CB 3.34Å; Q392-H395 PolarHBondContact O-N 3.04Å; Q392-V396 PolarHBondContact O-N 3.08Å; Q392-E463 VanDerWaalsContact NE2-CD 3.33Å; Q392-E463 PolarHBondContact NE2-OE1 2.63Å
393	S	80.9	Confident	86.1	Confident	98 Å²	98	20.4 Å²	20.4	69%	0.685	13%	0.127	S	C	*	.	H	α-helix	trans	-51.4	-44.8	-178.3	55.4	0	0	0	0	112.8	D391 H395 V396 S397	D391-S393 PolarHBondContact O-N 3.38Å; S393-H395 VanDerWaalsContact C-N 3.34Å; S393-H395 PolarHBondContact O-N 2.99Å; S393-V396 PolarHBondContact O-N 3.3Å; S393-S397 VanDerWaalsContact O-CB 3.23Å; S393-S397 WeakPolarHBondContact O-CB 3.25Å; S393-S397 PolarHBondContact O-N 3.36Å; S393-S397 PolarHBondContact O-OG 3.32Å
394	A	81.3	Confident	86.2	Confident	18 Å²	18	21.4 Å²	21.4	15%	0.149	14%	0.135	C	C	.	.	H	α-helix	trans	-60.1	-39	175.5	0	0	0	0	0	113.4	Q392 A398 L563 L633	Q392-A394 VanDerWaalsContact C-N 3.28Å; Q392-A394 PolarHBondContact O-N 3.03Å; A394-A398 WeakPolarHBondContact O-CB 3.29Å; A394-A398 PolarHBondContact O-N 2.04Å; A394-A398 VanDerWaalsContact O-N 3.16Å; A394-L563 HydrophobicContact CB-CD2 4.23Å; A394-L633 HydrophobicContact CB-CD2 3.85Å; A394-L633 WeakPolarHBondContact O-CD2 3.46Å
395	H	84.4	Confident	86	Confident	5 Å²	5	21.4 Å²	21.4	2%	0.023	14%	0.135	C	C	.	.	H	α-helix	trans	-70.4	-52.4	176.5	178	-93.9	0	0	0	110.8	S390 Q392 S393 S397 A398 V399 V459	S390-H395 PolarHBondContact O-ND1 3.26Å; S390-H395 VanDerWaalsContact O-ND1 3.08Å; Q392-H395 HydrophobicContact CB-CB 4.17Å; Q392-H395 WeakPolarHBondContact O-CA 3.45Å; Q392-H395 WeakPolarHBondContact O-CB 3.34Å; Q392-H395 PolarHBondContact O-N 3.04Å; S393-H395 VanDerWaalsContact C-N 3.34Å; S393-H395 PolarHBondContact O-N 2.99Å; H395-S397 VanDerWaalsContact C-N 3.33Å; H395-S397 PolarHBondContact O-N 3.39Å; H395-A398 PolarHBondContact O-N 3.31Å; H395-A398 VanDerWaalsContact O-N 3.1Å; H395-V399 WeakPolarHBondContact O-CG2 3.47Å; H395-V399 PolarHBondContact O-N 2.84Å; H395-V459 WeakPolarHBondContact NE2-CG1 3.44Å
396	V	86.5	Confident	85.8	Confident	30 Å²	30	21.4 Å²	21.4	18%	0.182	14%	0.135	C	C	.	.	H	α-helix	trans	-54.4	-47.6	177.5	173.3	0	0	0	0	111.1	Q392 S393 A398 V399 C400 L418 I532	Q392-V396 PolarHBondContact O-N 3.08Å; S393-V396 PolarHBondContact O-N 3.3Å; V396-A398 PolarHBondContact O-N 3.09Å; V396-V399 PolarHBondContact O-N 3.47Å; V396-C400 PolarHBondContact O-N 3.46Å; V396-C400 PolarHBondContact O-SG 2.93Å; V396-L418 HydrophobicContact CG1-CD1 3.94Å; V396-L418 HydrophobicContact CG1-CD2 3.99Å; V396-I532 HydrophobicContact CG2-CD1 3.86Å
397	S	84.8	Confident	85.4	Confident	39 Å²	39	25.3 Å²	25.3	27%	0.273	15%	0.153	S	C	.	.	H	α-helix	trans	-60.7	-39.9	176.5	-68	0	0	0	0	113.4	S393 H395 C400 A401 V632	S393-S397 VanDerWaalsContact O-CB 3.23Å; S393-S397 WeakPolarHBondContact O-CB 3.25Å; S393-S397 PolarHBondContact O-N 3.36Å; S393-S397 PolarHBondContact O-OG 3.32Å; H395-S397 VanDerWaalsContact C-N 3.33Å; H395-S397 PolarHBondContact O-N 3.39Å; S397-C400 PolarHBondContact O-N 3.46Å; S397-A401 WeakPolarHBondContact O-CB 3.32Å; S397-A401 PolarHBondContact O-N 3.02Å; S397-V632 VanDerWaalsContact CB-CG1 3.44Å; S397-V632 WeakPolarHBondContact OG-CG1 2.99Å
398	A	85.8	Confident	84.7	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-67.2	-37.9	176.2	0	0	0	0	0	111.9	A394 H395 V396 A401 L402 F560 L563 L629 L633	A394-A398 WeakPolarHBondContact O-CB 3.29Å; A394-A398 PolarHBondContact O-N 2.04Å; A394-A398 VanDerWaalsContact O-N 3.16Å; H395-A398 PolarHBondContact O-N 3.31Å; H395-A398 VanDerWaalsContact O-N 3.1Å; V396-A398 PolarHBondContact O-N 3.09Å; A398-A401 PolarHBondContact O-N 3.21Å; A398-L402 PolarHBondContact O-N 2.87Å; A398-L402 VanDerWaalsContact O-N 3.09Å; A398-F560 VanDerWaalsContact C-CZ 3.48Å; A398-F560 HydrophobicContact CB-CD1 4.32Å; A398-F560 HydrophobicContact CB-CD2 3.5Å; A398-F560 VanDerWaalsContact CB-CD2 3.5Å; A398-F560 HydrophobicContact CB-CE1 4.25Å; A398-F560 HydrophobicContact CB-CE2 3.38Å; A398-F560 HydrophobicContact CB-CG 3.98Å; A398-F560 HydrophobicContact CB-CZ 3.8Å; A398-F560 WeakPolarHBondContact O-CZ 3.16Å; A398-L563 HydrophobicContact CB-CD1 4.09Å; A398-L629 HydrophobicContact CB-CD2 3.6Å; A398-L633 HydrophobicContact CB-CD2 4.44Å
399	V	87.9	Confident	84.1	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-63.3	-45.7	172	-173.2	0	0	0	0	111.3	L386 H395 V396 A401 L402 A403 V459 F560	L386-V399 HydrophobicContact CD1-CG1 4.35Å; L386-V399 HydrophobicContact CD2-CG1 3.42Å; L386-V399 VanDerWaalsContact CD2-CG1 3.42Å; L386-V399 HydrophobicContact CG-CG1 3.64Å; H395-V399 WeakPolarHBondContact O-CG2 3.47Å; H395-V399 PolarHBondContact O-N 2.84Å; V396-V399 PolarHBondContact O-N 3.47Å; V399-A401 PolarHBondContact O-N 2.04Å; V399-L402 PolarHBondContact O-N 2.82Å; V399-A403 WeakPolarHBondContact O-CB 3.22Å; V399-A403 PolarHBondContact O-N 2.82Å; V399-V459 HydrophobicContact CG1-CG2 4.2Å; V399-V459 HydrophobicContact CG2-CB 3.94Å; V399-V459 HydrophobicContact CG2-CG1 3.94Å; V399-V459 HydrophobicContact CG2-CG2 3.92Å; V399-F560 HydrophobicContact CG2-CE2 4.41Å
400	C	86.3	Confident	83.4	Confident	41 Å²	41	33.1 Å²	33.1	28%	0.277	19%	0.188	S	C	.	.	H	α-helix	trans	-60.3	-43.2	176.2	-70.8	0	0	0	0	112.3	V396 S397 L402 A403 S404	V396-C400 PolarHBondContact O-N 3.46Å; V396-C400 PolarHBondContact O-SG 2.93Å; S397-C400 PolarHBondContact O-N 3.46Å; C400-L402 VanDerWaalsContact C-N 3.31Å; C400-L402 PolarHBondContact O-N 3.45Å; C400-A403 PolarHBondContact O-N 3.44Å; C400-S404 PolarHBondContact O-N 2.69Å
401	A	86.6	Confident	82.8	Confident	14 Å²	14	38.8 Å²	38.8	12%	0.116	22%	0.218	C	C	.	.	H	α-helix	trans	-62.6	-36.5	177.4	0	0	0	0	0	112.7	S397 A398 V399 I405 R628 L629	S397-A401 WeakPolarHBondContact O-CB 3.32Å; S397-A401 PolarHBondContact O-N 3.02Å; A398-A401 PolarHBondContact O-N 3.21Å; V399-A401 PolarHBondContact O-N 2.04Å; A401-I405 WeakPolarHBondContact O-CG1 3.47Å; A401-I405 PolarHBondContact O-N 2.88Å; A401-R628 HydrophobicContact CB-CB 4.22Å; A401-L629 HydrophobicContact CB-CD2 4.27Å
402	L	87.8	Confident	82.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68.8	-44.1	172.2	176.4	62	0	0	0	111.8	L386 A398 V399 C400 I405 L406 V558 F560 L581 F585 L588	L386-L402 HydrophobicContact CD1-CD2 4.34Å; A398-L402 PolarHBondContact O-N 2.87Å; A398-L402 VanDerWaalsContact O-N 3.09Å; V399-L402 PolarHBondContact O-N 2.82Å; C400-L402 VanDerWaalsContact C-N 3.31Å; C400-L402 PolarHBondContact O-N 3.45Å; L402-I405 PolarHBondContact O-N 3.43Å; L402-L406 HydrophobicContact CD1-CD1 4.09Å; L402-L406 HydrophobicContact CD1-CG 4.22Å; L402-L406 HydrophobicContact CG-CD1 4.03Å; L402-L406 WeakPolarHBondContact O-CG 3.45Å; L402-L406 PolarHBondContact O-N 2.93Å; L402-V558 HydrophobicContact CD2-CG1 4.11Å; L402-F560 HydrophobicContact CB-CZ 4.04Å; L402-F560 HydrophobicContact CD2-CZ 4.13Å; L402-L581 HydrophobicContact CD1-CD1 3.75Å; L402-L581 HydrophobicContact CD2-CD1 3.76Å; L402-L581 HydrophobicContact CG-CD1 4.35Å; L402-F585 HydrophobicContact CD1-CE2 3.91Å; L402-L588 HydrophobicContact CD1-CD2 4.49Å
403	A	86.9	Confident	82.7	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-61.8	-46.3	179.5	0	0	0	0	0	111.9	L386 V399 C400 I405 L406 H407 V414 T416 W419	L386-A403 HydrophobicContact CD2-CB 3.72Å; V399-A403 WeakPolarHBondContact O-CB 3.22Å; V399-A403 PolarHBondContact O-N 2.82Å; C400-A403 PolarHBondContact O-N 3.44Å; A403-I405 PolarHBondContact O-N 3.04Å; A403-L406 PolarHBondContact O-N 2.89Å; A403-H407 WeakPolarHBondContact O-CB 3.41Å; A403-H407 PolarHBondContact O-N 2.85Å; A403-V414 HydrophobicContact CB-CG1 4.3Å; A403-T416 HydrophobicContact CB-CG2 4.3Å; A403-W419 HydrophobicContact CB-CH2 3.53Å; A403-W419 HydrophobicContact CB-CZ2 3.39Å; A403-W419 HydrophobicContact CB-CZ3 4.3Å
404	S	84.9	Confident	82.8	Confident	36 Å²	36	30.3 Å²	30.3	25%	0.252	17%	0.172	S	C	.	.	H	α-helix	trans	-57	-46.1	173.7	-91	0	0	0	0	112.1	C400 L406 H407 E408	C400-S404 PolarHBondContact O-N 2.69Å; S404-L406 PolarHBondContact O-N 2.81Å; S404-H407 PolarHBondContact O-N 3.19Å; S404-E408 VanDerWaalsContact CB-OE1 3.23Å; S404-E408 WeakPolarHBondContact CB-OE1 3.06Å; S404-E408 VanDerWaalsContact O-CB 3.22Å; S404-E408 WeakPolarHBondContact O-CB 3.17Å; S404-E408 VanDerWaalsContact O-CG 3.32Å; S404-E408 WeakPolarHBondContact O-CG 3.03Å; S404-E408 PolarHBondContact O-N 3.36Å; S404-E408 PolarHBondContact OG-OE1 2.82Å
405	I	83.9	Confident	83	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-69.6	-35.2	-179.2	-72	172.8	0	0	0	112.2	A401 L402 A403 H407 E409 F585 Q624 L625 R628	A401-I405 WeakPolarHBondContact O-CG1 3.47Å; A401-I405 PolarHBondContact O-N 2.88Å; L402-I405 PolarHBondContact O-N 3.43Å; A403-I405 PolarHBondContact O-N 3.04Å; I405-H407 VanDerWaalsContact C-N 3.3Å; I405-H407 PolarHBondContact O-N 3.18Å; I405-E409 WeakPolarHBondContact O-CB 3.5Å; I405-E409 PolarHBondContact O-N 3.17Å; I405-F585 HydrophobicContact CG2-CZ 4.06Å; I405-Q624 HydrophobicContact CD1-CG 4.5Å; I405-L625 HydrophobicContact CD1-CB 3.73Å; I405-L625 HydrophobicContact CD1-CD1 3.92Å; I405-L625 HydrophobicContact CD1-CG 4.44Å; I405-R628 HydrophobicContact CD1-CG 4.09Å
406	L	84.4	Confident	83	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.6	-34.2	172.7	-71.6	171.2	0	0	0	111.9	I380 L402 A403 S404 L410 A412 V414 L457 I589 L592	I380-L406 HydrophobicContact CD1-CD2 4.02Å; L402-L406 HydrophobicContact CD1-CD1 4.09Å; L402-L406 HydrophobicContact CD1-CG 4.22Å; L402-L406 HydrophobicContact CG-CD1 4.03Å; L402-L406 WeakPolarHBondContact O-CG 3.45Å; L402-L406 PolarHBondContact O-N 2.93Å; A403-L406 PolarHBondContact O-N 2.89Å; S404-L406 PolarHBondContact O-N 2.81Å; L406-L410 HydrophobicContact CD2-CD1 4Å; L406-L410 WeakPolarHBondContact O-CB 3.35Å; L406-A412 HydrophobicContact CB-CB 4.33Å; L406-A412 WeakPolarHBondContact O-CB 3.25Å; L406-A412 PolarHBondContact O-N 3.02Å; L406-V414 HydrophobicContact CB-CG2 3.62Å; L406-L457 HydrophobicContact CD1-CD1 4.33Å; L406-I589 HydrophobicContact CD2-CD1 3.89Å; L406-L592 HydrophobicContact CD2-CD1 3.95Å
407	H	83.1	Confident	82.8	Confident	84 Å²	84	31.4 Å²	31.4	39%	0.389	17%	0.174	S	C	.	.	H	α-helix	trans	-83.4	-54.2	-179.8	-169.7	48.2	0	0	0	113.1	A403 S404 I405 D411 A412 V414 W419	A403-H407 WeakPolarHBondContact O-CB 3.41Å; A403-H407 PolarHBondContact O-N 2.85Å; S404-H407 PolarHBondContact O-N 3.19Å; I405-H407 VanDerWaalsContact C-N 3.3Å; I405-H407 PolarHBondContact O-N 3.18Å; H407-D411 PolarHBondContact O-N 3.22Å; H407-A412 PolarHBondContact ND1-O 3.33Å; H407-A412 VanDerWaalsContact ND1-O 3.08Å; H407-V414 HydrophobicContact CB-CG2 4.34Å; H407-W419 HydrophobicContact CB-CH2 4.2Å; H407-W419 HydrophobicContact CB-CZ3 4.49Å
408	E	77.4	Confident	82.6	Confident	110 Å²	110	31.1 Å²	31.1	51%	0.514	17%	0.17	S	C	.	.	H	α-helix	trans	-70.4	-42	-173.4	-66.1	164.6	-151.8	0	0	113.4	S404 R628	S404-E408 VanDerWaalsContact CB-OE1 3.23Å; S404-E408 WeakPolarHBondContact CB-OE1 3.06Å; S404-E408 VanDerWaalsContact O-CB 3.22Å; S404-E408 WeakPolarHBondContact O-CB 3.17Å; S404-E408 VanDerWaalsContact O-CG 3.32Å; S404-E408 WeakPolarHBondContact O-CG 3.03Å; S404-E408 PolarHBondContact O-N 3.36Å; S404-E408 PolarHBondContact OG-OE1 2.82Å; E408-R628 IonicContact OE2-NH2 2.7Å
409	E	76.4	Confident	82.1	Confident	67 Å²	67	35.5 Å²	35.5	31%	0.313	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-11.7	-169.9	-62.8	-75.6	171.7	0	0	113.8	I405 L621 Q624	I405-E409 WeakPolarHBondContact O-CB 3.5Å; I405-E409 PolarHBondContact O-N 3.17Å; E409-L621 HydrophobicContact CB-CD2 3.63Å; E409-L621 HydrophobicContact CG-CD2 4.02Å; E409-Q624 PolarHBondContact OE1-NE2 2.84Å
410	L	74.1	Confident	81.5	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.01	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.8	2.1	-171.5	-68.9	164.8	0	0	0	113.8	L378 T379 I380 L406 A412 F585 I589 L621	L378-L410 HydrophobicContact CB-CD2 3.99Å; L378-L410 WeakPolarHBondContact O-CD2 3.14Å; T379-L410 WeakPolarHBondContact CA-O 3.38Å; I380-L410 HydrophobicContact CD1-CB 4.01Å; I380-L410 HydrophobicContact CD1-CD1 4.07Å; I380-L410 HydrophobicContact CD1-CG 4.48Å; I380-L410 HydrophobicContact CG1-CB 4.36Å; I380-L410 PolarHBondContact N-O 3.14Å; L406-L410 HydrophobicContact CD2-CD1 4Å; L406-L410 WeakPolarHBondContact O-CB 3.35Å; L410-A412 PolarHBondContact O-N 3.05Å; L410-F585 HydrophobicContact CD1-CZ 4.31Å; L410-I589 HydrophobicContact CD1-CD1 3.53Å; L410-I589 HydrophobicContact CD1-CG1 4.26Å; L410-L621 HydrophobicContact CD1-CD1 4.31Å; L410-L621 HydrophobicContact CD2-CD1 3.78Å; L410-L621 HydrophobicContact CG-CD1 4.17Å
411	D	72.6	Confident	80.6	Confident	120 Å²	120	39 Å²	39	64%	0.642	20%	0.203	S	C	*	.			trans	55	30.2	177.3	-159.9	31.1	0	0	0	113.9	T379 H407	T379-D411 HydrophobicContact CG2-CB 4.11Å; H407-D411 PolarHBondContact O-N 3.22Å
412	A	78.4	Confident	79.3	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.008	22%	0.224	C	C	.	.			trans	-79.2	138.8	-179.4	0	0	0	0	0	111.5	I380 L406 H407 L410 V414	I380-A412 HydrophobicContact CB-CB 3.89Å; I380-A412 HydrophobicContact CD1-CB 4.43Å; I380-A412 HydrophobicContact CG2-CB 4.09Å; L406-A412 HydrophobicContact CB-CB 4.33Å; L406-A412 WeakPolarHBondContact O-CB 3.25Å; L406-A412 PolarHBondContact O-N 3.02Å; H407-A412 PolarHBondContact ND1-O 3.33Å; H407-A412 VanDerWaalsContact ND1-O 3.08Å; L410-A412 PolarHBondContact O-N 3.05Å; A412-V414 HydrophobicContact CB-CG2 3.84Å; A412-V414 PolarHBondContact O-N 3.04Å; A412-V414 VanDerWaalsContact O-N 3.07Å
413	S	81.4	Confident	77.5	Confident	54 Å²	54	47.9 Å²	47.9	38%	0.378	26%	0.264	S	S	.	.			trans	-77.7	89	165.8	-169	0	0	0	0	109.3	P383 V384 H415	P383-S413 CarbonylContact C-O 3.59Å; P383-S413 VanDerWaalsContact CA-O 3.28Å; P383-S413 WeakPolarHBondContact CA-O 3.48Å; V384-S413 PolarHBondContact N-O 3.37Å; S413-H415 PolarHBondContact OG-NE2 3.03Å
414	V	83.6	Confident	75.6	Confident	12 Å²	12	56.5 Å²	56.5	7%	0.073	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	115	-177.1	-169.9	0	0	0	0	110.4	V384 L386 A403 L406 H407 A412 T416 W419	V384-V414 CarbonylContact O-C 3.54Å; V384-V414 WeakPolarHBondContact O-CA 3.32Å; L386-V414 HydrophobicContact CB-CG1 4.3Å; L386-V414 HydrophobicContact CD2-CG1 4.37Å; A403-V414 HydrophobicContact CB-CG1 4.3Å; L406-V414 HydrophobicContact CB-CG2 3.62Å; H407-V414 HydrophobicContact CB-CG2 4.34Å; A412-V414 HydrophobicContact CB-CG2 3.84Å; A412-V414 PolarHBondContact O-N 3.04Å; A412-V414 VanDerWaalsContact O-N 3.07Å; V414-T416 HydrophobicContact CG1-CG2 3.74Å; V414-W419 HydrophobicContact CB-CZ3 4.04Å; V414-W419 HydrophobicContact CG1-CZ3 4.41Å
415	H	85.8	Confident	73.4	Confident	62 Å²	62	62.5 Å²	62.5	29%	0.287	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.8	177.3	-58.1	172.1	0	0	0	108.7	V384 L385 L386 S413 Q445	V384-H415 PolarHBondContact O-N 2.86Å; L385-H415 WeakPolarHBondContact CA-O 3.33Å; L385-H415 HydrophobicContact CD1-CB 4.25Å; L386-H415 PolarHBondContact N-O 3.18Å; S413-H415 PolarHBondContact OG-NE2 3.03Å; H415-Q445 PolarHBondContact ND1-OE1 3.47Å; H415-Q445 VanDerWaalsContact ND1-OE1 3.13Å
416	T	85	Confident	71.3	Confident	5 Å²	5	69.5 Å²	69.5	3%	0.031	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	142.9	-179.7	92.3	0	0	0	0	111.2	L386 A403 V414 L418 W419 A420	L386-T416 HydrophobicContact CB-CG2 3.95Å; L386-T416 HydrophobicContact CD2-CG2 4.24Å; A403-T416 HydrophobicContact CB-CG2 4.3Å; V414-T416 HydrophobicContact CG1-CG2 3.74Å; T416-L418 PolarHBondContact O-N 2.99Å; T416-L418 PolarHBondContact OG1-N 2.84Å; T416-W419 HydrophobicContact CG2-CD2 4.02Å; T416-W419 HydrophobicContact CG2-CE3 3.91Å; T416-W419 HydrophobicContact CG2-CG 4.45Å; T416-W419 HydrophobicContact CG2-CZ3 4.4Å; T416-W419 PolarHBondContact O-N 3.28Å; T416-W419 WeakPolarHBondContact OG1-CB 3.46Å; T416-W419 VanDerWaalsContact OG1-CG 3.31Å; T416-W419 PolarHBondContact OG1-N 2.86Å; T416-A420 WeakPolarHBondContact O-CB 3.35Å; T416-A420 PolarHBondContact O-N 3.42Å; T416-A420 VanDerWaalsContact O-N 3.09Å
417	A	81.7	Confident	68.9	Low	9 Å²	9	74.7 Å²	74.7	7%	0.074	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-12.5	174.1	0	0	0	0	0	112.6	Q421 W441 V531 V535	A417-Q421 WeakPolarHBondContact O-CG 3.29Å; A417-Q421 PolarHBondContact O-NE2 3.38Å; A417-W441 HydrophobicContact CB-CE3 4.39Å; A417-W441 HydrophobicContact CB-CH2 3.9Å; A417-W441 HydrophobicContact CB-CZ3 3.71Å; A417-V531 HydrophobicContact CB-CG1 3.85Å; A417-V535 HydrophobicContact CB-CG1 4.22Å; A417-V535 HydrophobicContact CB-CG2 4.23Å
418	L	79.9	Confident	66.9	Low	34 Å²	34	78.9 Å²	78.9	18%	0.178	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-44.2	173.5	-75.9	173.4	0	0	0	111.7	C388 V396 T416 I532	C388-L418 VanDerWaalsContact SG-CD1 3.51Å; V396-L418 HydrophobicContact CG1-CD1 3.94Å; V396-L418 HydrophobicContact CG1-CD2 3.99Å; T416-L418 PolarHBondContact O-N 2.99Å; T416-L418 PolarHBondContact OG1-N 2.84Å; L418-I532 HydrophobicContact CD2-CD1 3.97Å; L418-I532 HydrophobicContact CD2-CG1 4.43Å
419	W	77.1	Confident	65.5	Low	92 Å²	92	82 Å²	82	35%	0.348	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-78.1	-34.7	-178.9	-64	-13.8	0	0	0	111.6	A403 H407 V414 T416 Q421	A403-W419 HydrophobicContact CB-CH2 3.53Å; A403-W419 HydrophobicContact CB-CZ2 3.39Å; A403-W419 HydrophobicContact CB-CZ3 4.3Å; H407-W419 HydrophobicContact CB-CH2 4.2Å; H407-W419 HydrophobicContact CB-CZ3 4.49Å; V414-W419 HydrophobicContact CB-CZ3 4.04Å; V414-W419 HydrophobicContact CG1-CZ3 4.41Å; T416-W419 HydrophobicContact CG2-CD2 4.02Å; T416-W419 HydrophobicContact CG2-CE3 3.91Å; T416-W419 HydrophobicContact CG2-CG 4.45Å; T416-W419 HydrophobicContact CG2-CZ3 4.4Å; T416-W419 PolarHBondContact O-N 3.28Å; T416-W419 WeakPolarHBondContact OG1-CB 3.46Å; T416-W419 VanDerWaalsContact OG1-CG 3.31Å; T416-W419 PolarHBondContact OG1-N 2.86Å; W419-Q421 PolarHBondContact O-N 2.88Å; W419-Q421 VanDerWaalsContact O-N 3.1Å
420	A	73.6	Confident	64.7	Low	25 Å²	25	81.7 Å²	81.7	21%	0.207	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-76.5	15.2	176.2	0	0	0	0	0	114.9	T416 S432 V433 W441	T416-A420 WeakPolarHBondContact O-CB 3.35Å; T416-A420 PolarHBondContact O-N 3.42Å; T416-A420 VanDerWaalsContact O-N 3.09Å; A420-S432 PolarHBondContact O-OG 2.84Å; A420-V433 HydrophobicContact CB-CG2 3.85Å; A420-V433 WeakPolarHBondContact O-CG2 3.33Å; A420-V433 PolarHBondContact O-N 3.24Å; A420-W441 HydrophobicContact CB-CZ2 3.6Å
421	Q	68.6	Low	64.4	Low	92 Å²	92	83.8 Å²	83.8	43%	0.43	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-89.7	-27.7	172.4	-87	168.8	66	0	0	113.4	A417 W419 V531	A417-Q421 WeakPolarHBondContact O-CG 3.29Å; A417-Q421 PolarHBondContact O-NE2 3.38Å; W419-Q421 PolarHBondContact O-N 2.88Å; W419-Q421 VanDerWaalsContact O-N 3.1Å; Q421-V531 HydrophobicContact CG-CB 4.36Å; Q421-V531 HydrophobicContact CG-CG2 4.01Å
422	S	58.9	Low	64.5	Low	79 Å²	79	78.8 Å²	78.8	55%	0.552	45%	0.452	S	S	*	.			trans	-106.2	126.8	179.3	53.3	0	0	0	0	111.2	Q424	S422-Q424 PolarHBondContact O-N 2.01Å
423	S	50.3	Low	64.7	Low	121 Å²	121	78.9 Å²	78.9	85%	0.846	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	14.5	-175	51	0	0	0	0	114.8
424	Q	45.6	Very low	64.5	Low	182 Å²	182	80.3 Å²	80.3	85%	0.85	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	9.6	-159.4	-151.9	165.5	4.7	0	0	115	S422	S422-Q424 PolarHBondContact O-N 2.01Å
425	M	39.4	Very low	64.3	Low	162 Å²	162	85.4 Å²	85.4	80%	0.798	50%	0.495	S	S	*	.	S	Bend	trans	-135.5	140.9	169.3	-109.3	177.2	170.8	0	0	111.9
426	Q	39.4	Very low	64.1	Low	146 Å²	146	86.5 Å²	86.5	68%	0.682	50%	0.503	S	S	*	.			trans	40.2	77.7	-179.6	-84.7	81.7	-39.8	0	0	116.6	Q428	Q426-Q428 PolarHBondContact O-N 3.49Å
427	A	34.6	Very low	64.1	Low	109 Å²	109	87.4 Å²	87.4	90%	0.901	51%	0.512	S	S	*	.			trans	-70.7	76.8	158.1	0	0	0	0	0	111.4
428	Q	41.3	Very low	64.2	Low	172 Å²	172	88.8 Å²	88.8	80%	0.804	52%	0.521	S	S	*	.	S	Bend	trans	-128.1	88.1	161.3	-76.5	-167.9	-16.7	0	0	110.2	Q426	Q426-Q428 PolarHBondContact O-N 3.49Å
429	N	48.5	Very low	64.5	Low	175 Å²	175	90.8 Å²	90.8	94%	0.936	53%	0.531	S	S	*	.	S	Bend	trans	66.1	45.5	161.9	-54.9	-16.5	0	0	0	117.6
430	G	59.3	Low	65	Low	62 Å²	62	90 Å²	90	64%	0.639	54%	0.538	S	S	*	.			trans	-147.2	141.2	166.3	0	0	0	0	0	112.5
431	A	66.9	Low	65.7	Low	45 Å²	45	89 Å²	89	37%	0.372	53%	0.529	S	S	.	.			trans	-84	150.7	170.7	0	0	0	0	0	111	D435 L436	A431-D435 HydrophobicContact CB-CB 4.41Å; A431-L436 HydrophobicContact CB-CD1 3.91Å; A431-L436 HydrophobicContact CB-CD2 4.38Å; A431-L436 HydrophobicContact CB-CG 3.88Å
432	S	75.2	Confident	66.7	Low	15 Å²	15	84.7 Å²	84.7	11%	0.105	51%	0.509	C	S	.	.			trans	-69.2	160	-178.2	-178.5	0	0	0	0	112.1	A420 A434 D435 L436	A420-S432 PolarHBondContact O-OG 2.84Å; S432-A434 PolarHBondContact O-N 3.08Å; S432-A434 PolarHBondContact OG-N 3.26Å; S432-A434 VanDerWaalsContact OG-N 3.1Å; S432-D435 WeakPolarHBondContact CA-OD2 3.34Å; S432-D435 WeakPolarHBondContact CB-OD2 3.49Å; S432-D435 PolarHBondContact N-OD2 2.83Å; S432-D435 PolarHBondContact O-N 3.46Å; S432-L436 PolarHBondContact O-N 2.92Å
433	V	82.3	Confident	68.1	Low	4 Å²	4	85.9 Å²	85.9	2%	0.024	50%	0.502	C	S	.	.	H	α-helix	trans	-60.9	-29.9	165.3	-173.8	0	0	0	0	110.7	A420 G437 P438 W441 V531	A420-V433 HydrophobicContact CB-CG2 3.85Å; A420-V433 WeakPolarHBondContact O-CG2 3.33Å; A420-V433 PolarHBondContact O-N 3.24Å; V433-G437 CarbonylContact O-C 3.5Å; V433-G437 WeakPolarHBondContact O-CA 3.31Å; V433-G437 PolarHBondContact O-N 2.83Å; V433-P438 HydrophobicContact CG1-CB 4.25Å; V433-W441 HydrophobicContact CB-CG 4.37Å; V433-W441 HydrophobicContact CG2-CD2 3.63Å; V433-W441 HydrophobicContact CG2-CE3 4.17Å; V433-W441 HydrophobicContact CG2-CG 3.76Å; V433-W441 HydrophobicContact CG2-CZ2 4.29Å; V433-V531 HydrophobicContact CG1-CB 4.48Å; V433-V531 HydrophobicContact CG1-CG1 3.75Å; V433-V531 HydrophobicContact CG1-CG2 3.85Å; V433-V531 HydrophobicContact CG2-CG1 4.4Å
434	A	77.8	Confident	69.8	Low	84 Å²	84	82.2 Å²	82.2	69%	0.694	48%	0.483	S	S	*	.	H	α-helix	trans	-66.7	-36.2	176.1	0	0	0	0	0	112.7	S432	S432-A434 PolarHBondContact O-N 3.08Å; S432-A434 PolarHBondContact OG-N 3.26Å; S432-A434 VanDerWaalsContact OG-N 3.1Å
435	D	79.5	Confident	71.9	Confident	119 Å²	119	75.1 Å²	75.1	64%	0.636	45%	0.45	S	S	*	.	H	α-helix	trans	-79	-40.7	-175.6	-48	-35.9	0	0	0	111.9	A431 S432	A431-D435 HydrophobicContact CB-CB 4.41Å; S432-D435 WeakPolarHBondContact CA-OD2 3.34Å; S432-D435 WeakPolarHBondContact CB-OD2 3.49Å; S432-D435 PolarHBondContact N-OD2 2.83Å; S432-D435 PolarHBondContact O-N 3.46Å
436	L	81.5	Confident	74.1	Confident	85 Å²	85	69.1 Å²	69.1	45%	0.445	42%	0.418	S	S	.	.	H	α-helix	trans	-97.7	-16.6	-174.9	-65.6	-177	0	0	0	113.9	A431 S432 P440 W441	A431-L436 HydrophobicContact CB-CD1 3.91Å; A431-L436 HydrophobicContact CB-CD2 4.38Å; A431-L436 HydrophobicContact CB-CG 3.88Å; S432-L436 PolarHBondContact O-N 2.92Å; L436-P440 HydrophobicContact CB-CB 4.4Å; L436-P440 WeakPolarHBondContact O-CB 3.29Å; L436-P440 WeakPolarHBondContact O-CD 3.34Å; L436-P440 VanDerWaalsContact O-CG 3.22Å; L436-P440 WeakPolarHBondContact O-CG 3.44Å; L436-W441 HydrophobicContact CB-CB 4.15Å; L436-W441 HydrophobicContact CD1-CB 4.45Å
437	G	83.9	Confident	76.3	Confident	23 Å²	23	64.7 Å²	64.7	24%	0.237	40%	0.397	C	S	.	.			trans	73.4	160.8	-165	0	0	0	0	0	113.3	V433 L439 W441	V433-G437 CarbonylContact O-C 3.5Å; V433-G437 WeakPolarHBondContact O-CA 3.31Å; V433-G437 PolarHBondContact O-N 2.83Å; G437-L439 PolarHBondContact O-N 2.87Å; G437-W441 WeakPolarHBondContact O-CB 3.31Å; G437-W441 PolarHBondContact O-N 2.89Å; G437-W441 VanDerWaalsContact O-N 3.1Å
438	P	84.8	Confident	78.7	Confident	39 Å²	39	61.4 Å²	61.4	25%	0.253	37%	0.37	S	S	.	.	H	α-helix	trans	-64	-33.7	-170.5	22.7	-33.5	0	0	0	114.7	V433 L442 P534 V535	V433-P438 HydrophobicContact CG1-CB 4.25Å; P438-L442 WeakPolarHBondContact O-CB 3.43Å; P438-L442 PolarHBondContact O-N 3.49Å; P438-P534 HydrophobicContact CB-CB 4.02Å; P438-P534 HydrophobicContact CG-CB 3.86Å; P438-P534 HydrophobicContact CG-CG 4.35Å; P438-V535 HydrophobicContact CB-CG2 3.62Å
439	L	85.6	Confident	80.8	Confident	76 Å²	76	53.4 Å²	53.4	40%	0.398	33%	0.333	S	S	.	.	H	α-helix	trans	-76.5	-56.4	-178.5	-89.9	64.1	0	0	0	111.7	G437 W441 L442 Y443 P534 A538	G437-L439 PolarHBondContact O-N 2.87Å; L439-W441 VanDerWaalsContact C-N 3.32Å; L439-W441 PolarHBondContact O-N 3.24Å; L439-L442 PolarHBondContact O-N 2.95Å; L439-Y443 HydrophobicContact CB-CE2 4.25Å; L439-Y443 HydrophobicContact CG-CE2 4.48Å; L439-Y443 WeakPolarHBondContact O-CD2 3.26Å; L439-Y443 PolarHBondContact O-N 3.08Å; L439-Y443 VanDerWaalsContact O-N 3.09Å; L439-P534 HydrophobicContact CD1-CB 3.94Å; L439-A538 HydrophobicContact CD1-CB 4.19Å; L439-A538 HydrophobicContact CG-CB 3.94Å
440	P	87.2	Confident	82.5	Confident	75 Å²	75	49.8 Å²	49.8	49%	0.487	31%	0.307	S	S	.	.	H	α-helix	trans	-61.9	-36.8	178.4	-24.1	35.9	0	0	0	113.2	L436 Y443 G444	L436-P440 HydrophobicContact CB-CB 4.4Å; L436-P440 WeakPolarHBondContact O-CB 3.29Å; L436-P440 WeakPolarHBondContact O-CD 3.34Å; L436-P440 VanDerWaalsContact O-CG 3.22Å; L436-P440 WeakPolarHBondContact O-CG 3.44Å; P440-Y443 PolarHBondContact O-N 2.92Å; P440-G444 PolarHBondContact O-N 3.38Å
441	W	88.5	Confident	83.6	Confident	4 Å²	4	54 Å²	54	2%	0.015	31%	0.307	C	S	.	.	H	α-helix	trans	-56.9	-50	172.6	-179.4	93.6	0	0	0	111.6	L385 A417 A420 V433 L436 G437 L439 Y443 G444 Q445	L385-W441 HydrophobicContact CD1-CH2 4.11Å; L385-W441 HydrophobicContact CD1-CZ3 4.32Å; A417-W441 HydrophobicContact CB-CE3 4.39Å; A417-W441 HydrophobicContact CB-CH2 3.9Å; A417-W441 HydrophobicContact CB-CZ3 3.71Å; A420-W441 HydrophobicContact CB-CZ2 3.6Å; V433-W441 HydrophobicContact CB-CG 4.37Å; V433-W441 HydrophobicContact CG2-CD2 3.63Å; V433-W441 HydrophobicContact CG2-CE3 4.17Å; V433-W441 HydrophobicContact CG2-CG 3.76Å; V433-W441 HydrophobicContact CG2-CZ2 4.29Å; L436-W441 HydrophobicContact CB-CB 4.15Å; L436-W441 HydrophobicContact CD1-CB 4.45Å; G437-W441 WeakPolarHBondContact O-CB 3.31Å; G437-W441 PolarHBondContact O-N 2.89Å; G437-W441 VanDerWaalsContact O-N 3.1Å; L439-W441 VanDerWaalsContact C-N 3.32Å; L439-W441 PolarHBondContact O-N 3.24Å; W441-Y443 PolarHBondContact O-N 2.97Å; W441-G444 PolarHBondContact O-N 3.39Å; W441-Q445 HydrophobicContact CD2-CG 3.96Å; W441-Q445 HydrophobicContact CE3-CG 4.33Å; W441-Q445 HydrophobicContact CH2-CG 4.07Å; W441-Q445 HydrophobicContact CZ2-CG 3.74Å; W441-Q445 HydrophobicContact CZ3-CG 4.36Å; W441-Q445 WeakPolarHBondContact O-CG 3.26Å; W441-Q445 PolarHBondContact O-N 2.8Å
442	L	89.4	Confident	84.4	Confident	1 Å²	1	54 Å²	54	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-62.6	-46.2	-178.8	176.7	68.3	0	0	0	111.6	L385 V387 P438 L439 G444 Q445 W446 V535 A538 A539	L385-L442 HydrophobicContact CD2-CD1 3.9Å; V387-L442 HydrophobicContact CG2-CD1 4.18Å; P438-L442 WeakPolarHBondContact O-CB 3.43Å; P438-L442 PolarHBondContact O-N 3.49Å; L439-L442 PolarHBondContact O-N 2.95Å; L442-G444 VanDerWaalsContact C-N 3.31Å; L442-G444 PolarHBondContact O-N 2.79Å; L442-Q445 PolarHBondContact O-N 2.87Å; L442-W446 VanDerWaalsContact O-CB 3.24Å; L442-W446 WeakPolarHBondContact O-CB 3.25Å; L442-W446 PolarHBondContact O-N 2.88Å; L442-V535 HydrophobicContact CB-CG1 4.48Å; L442-V535 HydrophobicContact CD1-CG1 4.05Å; L442-V535 HydrophobicContact CD2-CG1 4.21Å; L442-V535 WeakPolarHBondContact CD2-O 3.36Å; L442-V535 HydrophobicContact CG-CG1 4.47Å; L442-A538 HydrophobicContact CD2-CB 3.58Å; L442-A539 HydrophobicContact CD2-CB 3.94Å
443	Y	88.6	Confident	84.7	Confident	105 Å²	105	59.1 Å²	59.1	41%	0.412	33%	0.329	S	S	.	.	H	α-helix	trans	-62.8	-39	-179.7	-68	-57	0	0	0	111.8	L439 P440 W441 E447 S542	L439-Y443 HydrophobicContact CB-CE2 4.25Å; L439-Y443 HydrophobicContact CG-CE2 4.48Å; L439-Y443 WeakPolarHBondContact O-CD2 3.26Å; L439-Y443 PolarHBondContact O-N 3.08Å; L439-Y443 VanDerWaalsContact O-N 3.09Å; P440-Y443 PolarHBondContact O-N 2.92Å; W441-Y443 PolarHBondContact O-N 2.97Å; Y443-E447 VanDerWaalsContact O-CB 3.23Å; Y443-E447 WeakPolarHBondContact O-CB 3.48Å; Y443-E447 PolarHBondContact O-N 2.98Å; Y443-E447 VanDerWaalsContact O-N 3.07Å; Y443-S542 WeakPolarHBondContact CE1-OG 3.17Å
444	G	87.3	Confident	84.8	Confident	43 Å²	43	59 Å²	59	44%	0.443	33%	0.33	S	S	.	.	H	α-helix	trans	-62.9	-47.4	173.7	0	0	0	0	0	113.1	P440 W441 L442 E447 A448	P440-G444 PolarHBondContact O-N 3.38Å; W441-G444 PolarHBondContact O-N 3.39Å; L442-G444 VanDerWaalsContact C-N 3.31Å; L442-G444 PolarHBondContact O-N 2.79Å; G444-E447 PolarHBondContact O-N 2.92Å; G444-A448 PolarHBondContact O-N 3.23Å
445	Q	88.1	Confident	85.2	Confident	33 Å²	33	56.8 Å²	56.8	15%	0.154	30%	0.304	C	S	.	.	H	α-helix	trans	-69.2	-42.1	-179.4	-66.5	-63.5	-3.3	0	0	113	L385 H415 W441 L442 E447 A448 V449	L385-Q445 HydrophobicContact CD1-CB 4.15Å; L385-Q445 HydrophobicContact CD2-CB 4.48Å; H415-Q445 PolarHBondContact ND1-OE1 3.47Å; H415-Q445 VanDerWaalsContact ND1-OE1 3.13Å; W441-Q445 HydrophobicContact CD2-CG 3.96Å; W441-Q445 HydrophobicContact CE3-CG 4.33Å; W441-Q445 HydrophobicContact CH2-CG 4.07Å; W441-Q445 HydrophobicContact CZ2-CG 3.74Å; W441-Q445 HydrophobicContact CZ3-CG 4.36Å; W441-Q445 WeakPolarHBondContact O-CG 3.26Å; W441-Q445 PolarHBondContact O-N 2.8Å; L442-Q445 PolarHBondContact O-N 2.87Å; Q445-E447 VanDerWaalsContact C-N 3.29Å; Q445-E447 PolarHBondContact O-N 2.92Å; Q445-A448 PolarHBondContact O-N 2.82Å; Q445-V449 WeakPolarHBondContact O-CB 3.25Å; Q445-V449 WeakPolarHBondContact O-CG2 3.04Å; Q445-V449 PolarHBondContact O-N 2.64Å
446	W	86.5	Confident	85.7	Confident	36 Å²	36	51.2 Å²	51.2	14%	0.136	27%	0.274	C	S	.	.	H	α-helix	trans	-57	-44.7	172.6	168	-86.6	0	0	0	111.1	L385 L442 V449 R450 M456 A546 V555	L385-W446 HydrophobicContact CD2-CB 3.98Å; L385-W446 HydrophobicContact CD2-CE3 4.48Å; L442-W446 VanDerWaalsContact O-CB 3.24Å; L442-W446 WeakPolarHBondContact O-CB 3.25Å; L442-W446 PolarHBondContact O-N 2.88Å; W446-V449 PolarHBondContact O-N 3.17Å; W446-R450 WeakPolarHBondContact O-CB 3.37Å; W446-R450 PolarHBondContact O-N 2.8Å; W446-M456 HydrophobicContact CE3-CB 3.87Å; W446-M456 HydrophobicContact CE3-CE 3.92Å; W446-M456 HydrophobicContact CE3-CG 4.27Å; W446-M456 HydrophobicContact CE3-SD 3.46Å; W446-M456 HydrophobicContact CH2-CE 4.39Å; W446-M456 HydrophobicContact CZ3-CB 3.66Å; W446-M456 HydrophobicContact CZ3-CE 3.4Å; W446-M456 VanDerWaalsContact CZ3-CE 3.4Å; W446-M456 HydrophobicContact CZ3-CG 4.19Å; W446-M456 HydrophobicContact CZ3-SD 3.57Å; W446-M456 VanDerWaalsContact CZ3-SD 3.57Å; W446-A546 HydrophobicContact CH2-CB 4.45Å; W446-A546 HydrophobicContact CZ2-CB 4.17Å; W446-V555 HydrophobicContact CH2-CG2 3.43Å; W446-V555 VanDerWaalsContact CH2-CG2 3.43Å; W446-V555 HydrophobicContact CZ3-CG2 3.69Å
447	E	85	Confident	86.2	Confident	53 Å²	53	47.2 Å²	47.2	25%	0.248	25%	0.253	C	S	.	.	H	α-helix	trans	-68.3	-37	179.8	-178.7	60.5	-170.7	0	0	112.9	Y443 G444 Q445 R450 K451	Y443-E447 VanDerWaalsContact O-CB 3.23Å; Y443-E447 WeakPolarHBondContact O-CB 3.48Å; Y443-E447 PolarHBondContact O-N 2.98Å; Y443-E447 VanDerWaalsContact O-N 3.07Å; G444-E447 PolarHBondContact O-N 2.92Å; Q445-E447 VanDerWaalsContact C-N 3.29Å; Q445-E447 PolarHBondContact O-N 2.92Å; E447-R450 VanDerWaalsContact CD-NH2 3.25Å; E447-R450 IonicContact OE1-CZ 2.81Å; E447-R450 IonicContact OE1-NH2 3.4Å; E447-R450 PolarHBondContact OE1-NH2 3.49Å; E447-R450 IonicContact OE2-CZ 3.19Å; E447-R450 IonicContact OE2-NE 3.51Å; E447-R450 PolarHBondContact OE2-NE 3.02Å; E447-R450 IonicContact OE2-NH2 3.69Å; E447-R450 PolarHBondContact OE2-NH2 3.12Å; E447-K451 HydrophobicContact CG-CD 4.26Å; E447-K451 WeakPolarHBondContact O-CB 3.32Å; E447-K451 VanDerWaalsContact O-CG 3.32Å; E447-K451 WeakPolarHBondContact O-CG 3.35Å; E447-K451 PolarHBondContact O-N 3.39Å; E447-K451 WeakPolarHBondContact OE1-CE 3.39Å; E447-K451 IonicContact OE1-NZ 2.61Å; E447-K451 PolarHBondContact OE1-NZ 2.8Å
448	A	85.5	Confident	86.5	Confident	40 Å²	40	46.1 Å²	46.1	33%	0.331	24%	0.242	S	C	.	.	H	α-helix	trans	-64.5	-47.5	173.1	0	0	0	0	0	111.7	G444 Q445 K451 A452	G444-A448 PolarHBondContact O-N 3.23Å; Q445-A448 PolarHBondContact O-N 2.82Å; A448-K451 PolarHBondContact O-N 2.04Å; A448-A452 PolarHBondContact O-N 2.96Å
449	V	86.4	Confident	86.8	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.024	23%	0.23	C	C	.	.	H	α-helix	trans	-63	-42.7	177.6	168.4	0	0	0	0	111.5	P383 L385 Q445 W446 K451 A452 Q453 G454	P383-V449 HydrophobicContact CB-CG2 4.07Å; P383-V449 HydrophobicContact CG-CG2 4.06Å; L385-V449 HydrophobicContact CB-CG1 4.46Å; L385-V449 HydrophobicContact CB-CG2 4.09Å; Q445-V449 WeakPolarHBondContact O-CB 3.25Å; Q445-V449 WeakPolarHBondContact O-CG2 3.04Å; Q445-V449 PolarHBondContact O-N 2.64Å; W446-V449 PolarHBondContact O-N 3.17Å; V449-K451 PolarHBondContact O-N 2.94Å; V449-A452 CarbonylContact O-C 3.56Å; V449-A452 PolarHBondContact O-N 2.84Å; V449-Q453 PolarHBondContact O-N 3.44Å; V449-G454 PolarHBondContact O-N 2.85Å
450	R	82.6	Confident	87.1	Confident	100 Å²	100	40.7 Å²	40.7	38%	0.377	21%	0.211	S	C	.	.	H	α-helix	trans	-62	-41.9	175.7	-169.1	177.7	74.9	88.4	-2	112.4	W446 E447 A452 Q453	W446-R450 WeakPolarHBondContact O-CB 3.37Å; W446-R450 PolarHBondContact O-N 2.8Å; E447-R450 VanDerWaalsContact CD-NH2 3.25Å; E447-R450 IonicContact OE1-CZ 2.81Å; E447-R450 IonicContact OE1-NH2 3.4Å; E447-R450 PolarHBondContact OE1-NH2 3.49Å; E447-R450 IonicContact OE2-CZ 3.19Å; E447-R450 IonicContact OE2-NE 3.51Å; E447-R450 PolarHBondContact OE2-NE 3.02Å; E447-R450 IonicContact OE2-NH2 3.69Å; E447-R450 PolarHBondContact OE2-NH2 3.12Å; R450-A452 VanDerWaalsContact C-N 3.34Å; R450-A452 PolarHBondContact O-N 3.31Å; R450-Q453 PolarHBondContact O-N 2.9Å; R450-Q453 VanDerWaalsContact O-N 3.12Å
451	K	84.3	Confident	87.2	Confident	149 Å²	149	37.2 Å²	37.2	65%	0.648	19%	0.189	S	C	*	.	H	α-helix	trans	-64	-36.5	174.4	-80.6	166.8	170.8	146.5	0	112.8	E447 A448 V449 Q453	E447-K451 HydrophobicContact CG-CD 4.26Å; E447-K451 WeakPolarHBondContact O-CB 3.32Å; E447-K451 VanDerWaalsContact O-CG 3.32Å; E447-K451 WeakPolarHBondContact O-CG 3.35Å; E447-K451 PolarHBondContact O-N 3.39Å; E447-K451 WeakPolarHBondContact OE1-CE 3.39Å; E447-K451 IonicContact OE1-NZ 2.61Å; E447-K451 PolarHBondContact OE1-NZ 2.8Å; A448-K451 PolarHBondContact O-N 2.04Å; V449-K451 PolarHBondContact O-N 2.94Å; K451-Q453 PolarHBondContact O-N 2.76Å
452	A	82.6	Confident	86.9	Confident	46 Å²	46	39 Å²	39	38%	0.38	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	9.7	174	0	0	0	0	0	114	P383 A448 V449 R450 G454	P383-A452 HydrophobicContact CG-CB 3.51Å; A448-A452 PolarHBondContact O-N 2.96Å; V449-A452 CarbonylContact O-C 3.56Å; V449-A452 PolarHBondContact O-N 2.84Å; R450-A452 VanDerWaalsContact C-N 3.34Å; R450-A452 PolarHBondContact O-N 3.31Å; A452-G454 PolarHBondContact O-N 2.85Å; A452-G454 VanDerWaalsContact O-N 3.12Å
453	Q	81.3	Confident	86.6	Confident	122 Å²	122	41.4 Å²	41.4	57%	0.57	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	27.4	-175	-49.4	-173.7	8.3	0	0	114.8	R382 V449 R450 K451	R382-Q453 WeakPolarHBondContact CD-O 3.45Å; R382-Q453 PolarHBondContact NH1-O 2.87Å; R382-Q453 VanDerWaalsContact NH2-OE1 3.11Å; V449-Q453 PolarHBondContact O-N 3.44Å; R450-Q453 PolarHBondContact O-N 2.9Å; R450-Q453 VanDerWaalsContact O-N 3.12Å; K451-Q453 PolarHBondContact O-N 2.76Å
454	G	83.7	Confident	86.5	Confident	3 Å²	3	36.4 Å²	36.4	3%	0.031	19%	0.193	C	C	.	.			trans	-77.2	-167.2	176.3	0	0	0	0	0	113.2	P383 V449 A452	P383-G454 VanDerWaalsContact O-CA 3.25Å; P383-G454 WeakPolarHBondContact O-CA 3.46Å; V449-G454 PolarHBondContact O-N 2.85Å; A452-G454 PolarHBondContact O-N 2.85Å; A452-G454 VanDerWaalsContact O-N 3.12Å
455	K	87.2	Confident	86.4	Confident	36 Å²	36	37.7 Å²	37.7	16%	0.157	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	140.9	-175	-61.1	-76.7	-178.5	159.9	0	111.2	P383 V384 L385 K553 D554 E591 L592	P383-K455 PolarHBondContact O-N 2.86Å; V384-K455 WeakPolarHBondContact CA-O 3.41Å; L385-K455 PolarHBondContact N-O 3.07Å; K455-K553 PolarHBondContact NZ-O 2.9Å; K455-D554 WeakPolarHBondContact CA-O 3.33Å; K455-E591 IonicContact NZ-OE1 2.92Å; K455-E591 PolarHBondContact NZ-OE1 3.28Å; K455-L592 HydrophobicContact CB-CD2 3.95Å; K455-L592 HydrophobicContact CG-CD2 3.98Å
456	M	89.7	Confident	86.2	Confident	2 Å²	2	43 Å²	43	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	127.7	160.4	-172.9	169.1	83.3	0	0	110.5	L385 V387 W446 I458 A539 D554 V555 A556	L385-M456 HydrophobicContact CB-CB 4.32Å; L385-M456 HydrophobicContact CB-CG 4.2Å; L385-M456 HydrophobicContact CD2-CG 4.12Å; L385-M456 HydrophobicContact CD2-SD 3.83Å; L385-M456 HydrophobicContact CG-CG 4.03Å; L385-M456 HydrophobicContact CG-SD 4.23Å; L385-M456 CarbonylContact O-C 3.52Å; L385-M456 VanDerWaalsContact O-CA 3.32Å; L385-M456 WeakPolarHBondContact O-CA 2.91Å; L385-M456 WeakPolarHBondContact O-CG 2.98Å; V387-M456 HydrophobicContact CG2-CG 4.08Å; V387-M456 HydrophobicContact CG2-SD 3.58Å; V387-M456 VanDerWaalsContact CG2-SD 3.58Å; W446-M456 HydrophobicContact CE3-CB 3.87Å; W446-M456 HydrophobicContact CE3-CE 3.92Å; W446-M456 HydrophobicContact CE3-CG 4.27Å; W446-M456 HydrophobicContact CE3-SD 3.46Å; W446-M456 HydrophobicContact CH2-CE 4.39Å; W446-M456 HydrophobicContact CZ3-CB 3.66Å; W446-M456 HydrophobicContact CZ3-CE 3.4Å; W446-M456 VanDerWaalsContact CZ3-CE 3.4Å; W446-M456 HydrophobicContact CZ3-CG 4.19Å; W446-M456 HydrophobicContact CZ3-SD 3.57Å; W446-M456 VanDerWaalsContact CZ3-SD 3.57Å; M456-I458 HydrophobicContact CE-CD1 3.63Å; M456-I458 HydrophobicContact CE-CG1 3.52Å; M456-I458 HydrophobicContact CG-CG1 4.49Å; M456-A539 HydrophobicContact CE-CB 3.84Å; M456-A539 HydrophobicContact SD-CB 4.3Å; M456-D554 PolarHBondContact N-O 2.84Å; M456-V555 HydrophobicContact CB-CG1 4.41Å; M456-V555 HydrophobicContact CE-CG1 4.26Å; M456-V555 CarbonylContact O-C 3.58Å; M456-V555 VanDerWaalsContact O-CA 3.31Å; M456-V555 WeakPolarHBondContact O-CA 3.07Å; M456-V555 WeakPolarHBondContact O-CG1 3.03Å; M456-A556 PolarHBondContact O-N 2.88Å
457	L	91.4	Very high	86.2	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	110.1	171.1	-59.6	-176.2	0	0	0	108.9	V384 L385 L386 V387 L406 A556 V558 L588 L592	V384-L457 HydrophobicContact CG1-CD1 3.59Å; V384-L457 HydrophobicContact CG1-CG 3.73Å; L385-L457 PolarHBondContact O-N 2.84Å; L386-L457 HydrophobicContact CD1-CB 3.66Å; L386-L457 HydrophobicContact CD1-CD1 4.28Å; V387-L457 PolarHBondContact N-O 3.35Å; L406-L457 HydrophobicContact CD1-CD1 4.33Å; L457-A556 WeakPolarHBondContact CA-O 3.49Å; L457-A556 HydrophobicContact CD2-CB 3.86Å; L457-V558 HydrophobicContact CB-CG2 4.16Å; L457-V558 HydrophobicContact CD1-CG2 4.37Å; L457-V558 HydrophobicContact CD2-CG2 4.09Å; L457-V558 HydrophobicContact CG-CG2 4.43Å; L457-L588 HydrophobicContact CD1-CD1 4.21Å; L457-L588 HydrophobicContact CD2-CD1 3.89Å; L457-L592 HydrophobicContact CD1-CD1 4.31Å; L457-L592 HydrophobicContact CD2-CD2 4.48Å
458	I	91.7	Very high	86.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	114.9	170.2	-59.5	174.2	0	0	0	107.7	M456 W460 F536 L543 V555 A556 I557 V558	M456-I458 HydrophobicContact CE-CD1 3.63Å; M456-I458 HydrophobicContact CE-CG1 3.52Å; M456-I458 HydrophobicContact CG-CG1 4.49Å; I458-W460 HydrophobicContact CG2-CE3 3.98Å; I458-W460 HydrophobicContact CG2-CZ3 4.39Å; I458-W460 PolarHBondContact O-N 2.89Å; I458-F536 HydrophobicContact CG2-CD2 4.42Å; I458-F536 HydrophobicContact CG2-CE2 3.84Å; I458-L543 HydrophobicContact CD1-CD2 3.68Å; I458-V555 HydrophobicContact CD1-CG1 4.02Å; I458-V555 HydrophobicContact CG1-CG1 4.2Å; I458-A556 PolarHBondContact N-O 3.08Å; I458-I557 WeakPolarHBondContact O-CA 3.47Å; I458-V558 PolarHBondContact O-N 2.77Å
459	V	91.3	Very high	86.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	115.8	172.8	-167.6	0	0	0	0	109.4	L386 V387 S389 H395 V399 V558 F560	L386-V459 HydrophobicContact CD1-CG2 3.6Å; L386-V459 HydrophobicContact CG-CG2 4.36Å; V387-V459 PolarHBondContact O-N 3.5Å; S389-V459 WeakPolarHBondContact CB-O 3.33Å; S389-V459 PolarHBondContact OG-O 3.4Å; H395-V459 WeakPolarHBondContact NE2-CG1 3.44Å; V399-V459 HydrophobicContact CG1-CG2 4.2Å; V399-V459 HydrophobicContact CG2-CB 3.94Å; V399-V459 HydrophobicContact CG2-CG1 3.94Å; V399-V459 HydrophobicContact CG2-CG2 3.92Å; V459-V558 CarbonylContact C-O 3.55Å; V459-V558 WeakPolarHBondContact CA-O 3.45Å; V459-V558 HydrophobicContact CG2-CB 4.48Å; V459-F560 HydrophobicContact CG1-CD2 3.95Å; V459-F560 HydrophobicContact CG1-CE2 3.62Å
460	W	90.8	Very high	86.1	Confident	1 Å²	1	51 Å²	51	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	143.9	-173.1	-155.5	-88.7	0	0	0	112.6	I458 A464 Y468 F536 L540 I557 V558 D568 I569 P570 F573	I458-W460 HydrophobicContact CG2-CE3 3.98Å; I458-W460 HydrophobicContact CG2-CZ3 4.39Å; I458-W460 PolarHBondContact O-N 2.89Å; W460-A464 HydrophobicContact CD2-CB 3.63Å; W460-A464 VanDerWaalsContact CE2-CB 3.44Å; W460-A464 HydrophobicContact CE3-CB 4.15Å; W460-A464 HydrophobicContact CG-CB 3.94Å; W460-A464 HydrophobicContact CH2-CB 4.24Å; W460-A464 HydrophobicContact CZ2-CB 3.75Å; W460-A464 HydrophobicContact CZ3-CB 4.44Å; W460-Y468 HydrophobicContact CH2-CG 4.49Å; W460-F536 HydrophobicContact CE3-CE2 4.45Å; W460-F536 HydrophobicContact CE3-CZ 4.39Å; W460-F536 HydrophobicContact CH2-CZ 4.02Å; W460-F536 HydrophobicContact CZ3-CE2 4.14Å; W460-F536 AromaticContact CZ3-CZ 3.86Å; W460-F536 HydrophobicContact CZ3-CZ 3.86Å; W460-L540 HydrophobicContact CH2-CD2 3.98Å; W460-L540 HydrophobicContact CZ3-CD2 3.87Å; W460-I557 HydrophobicContact CB-CG2 3.77Å; W460-I557 HydrophobicContact CD2-CG2 4.5Å; W460-I557 HydrophobicContact CE3-CG2 4.28Å; W460-I557 HydrophobicContact CG-CG2 4.32Å; W460-V558 PolarHBondContact N-O 2.86Å; W460-D568 PolarHBondContact NE1-O 2.63Å; W460-I569 HydrophobicContact CB-CG1 4.31Å; W460-I569 HydrophobicContact CD2-CG1 4.29Å; W460-I569 HydrophobicContact CG-CG1 3.83Å; W460-P570 HydrophobicContact CH2-CG 4.17Å; W460-P570 HydrophobicContact CZ2-CG 3.87Å; W460-F573 HydrophobicContact CH2-CD2 4.31Å; W460-F573 AromaticContact CH2-CE2 3.72Å; W460-F573 HydrophobicContact CH2-CE2 3.72Å; W460-F573 HydrophobicContact CZ3-CD2 4.34Å; W460-F573 AromaticContact CZ3-CE2 3.94Å; W460-F573 HydrophobicContact CZ3-CE2 3.94Å
461	S	88.4	Confident	86.2	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.014	22%	0.218	C	C	.	.			trans	-139.9	168.8	-174.7	64.1	0	0	0	0	111.3	S389 S390 E463 A464	S389-S461 WeakPolarHBondContact OG-CB 3.14Å; S389-S461 PolarHBondContact OG-N 2.93Å; S389-S461 PolarHBondContact OG-OG 3.29Å; S390-S461 WeakPolarHBondContact CB-OG 3.5Å; S461-E463 PolarHBondContact O-N 2.86Å; S461-E463 PolarHBondContact OG-N 2.8Å; S461-A464 WeakPolarHBondContact O-CB 3.46Å; S461-A464 PolarHBondContact O-N 3.49Å; S461-A464 PolarHBondContact OG-N 2.94Å
462	P	83.5	Confident	86.1	Confident	42 Å²	42	45.1 Å²	45.1	27%	0.273	21%	0.205	S	C	.	.	H	α-helix	trans	-61	-27.5	171.2	-24.8	36.2	0	0	0	113.3	K465 L563	P462-K465 WeakPolarHBondContact O-CB 3.5Å; P462-L563 VanDerWaalsContact CD-O 3.25Å; P462-L563 WeakPolarHBondContact CD-O 3.43Å; P462-L563 WeakPolarHBondContact CG-O 3.44Å
463	E	83.7	Confident	85.9	Confident	51 Å²	51	46.7 Å²	46.7	24%	0.238	21%	0.209	C	C	.	.	H	α-helix	trans	-76.3	-34.7	174.8	-73.8	175.1	179.1	0	0	112.6	S390 Q392 S461 K465 R466 T467	S390-E463 WeakPolarHBondContact CB-OE2 3.39Å; S390-E463 PolarHBondContact OG-OE2 3.21Å; Q392-E463 VanDerWaalsContact NE2-CD 3.33Å; Q392-E463 PolarHBondContact NE2-OE1 2.63Å; S461-E463 PolarHBondContact O-N 2.86Å; S461-E463 PolarHBondContact OG-N 2.8Å; E463-K465 PolarHBondContact O-N 3.29Å; E463-R466 PolarHBondContact O-N 2.8Å; E463-T467 WeakPolarHBondContact O-CB 3.35Å; E463-T467 PolarHBondContact O-N 2.82Å; E463-T467 PolarHBondContact O-OG1 2.76Å
464	A	85.8	Confident	85.5	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-50.8	-41.6	172	0	0	0	0	0	111.7	W460 S461 Y468 F536	W460-A464 HydrophobicContact CD2-CB 3.63Å; W460-A464 VanDerWaalsContact CE2-CB 3.44Å; W460-A464 HydrophobicContact CE3-CB 4.15Å; W460-A464 HydrophobicContact CG-CB 3.94Å; W460-A464 HydrophobicContact CH2-CB 4.24Å; W460-A464 HydrophobicContact CZ2-CB 3.75Å; W460-A464 HydrophobicContact CZ3-CB 4.44Å; S461-A464 WeakPolarHBondContact O-CB 3.46Å; S461-A464 PolarHBondContact O-N 3.49Å; S461-A464 PolarHBondContact OG-N 2.94Å; A464-Y468 WeakPolarHBondContact O-CB 3.08Å; A464-Y468 PolarHBondContact O-N 2.89Å; A464-F536 HydrophobicContact CB-CE1 4.06Å; A464-F536 HydrophobicContact CB-CE2 4.37Å; A464-F536 HydrophobicContact CB-CZ 3.62Å
465	K	85.8	Confident	84.7	Confident	70 Å²	70	50 Å²	50	30%	0.304	22%	0.223	S	C	.	.	H	α-helix	trans	-61	-51.1	176.1	-167.5	-173.2	-162.1	171.7	0	112.1	P462 E463 Y468 Q469 D568	P462-K465 WeakPolarHBondContact O-CB 3.5Å; E463-K465 PolarHBondContact O-N 3.29Å; K465-Y468 PolarHBondContact O-N 3.5Å; K465-Q469 WeakPolarHBondContact O-CB 3.42Å; K465-Q469 VanDerWaalsContact O-CG 3.3Å; K465-Q469 WeakPolarHBondContact O-CG 3.42Å; K465-Q469 PolarHBondContact O-N 3.19Å; K465-Q469 PolarHBondContact O-OE1 3.33Å; K465-D568 HydrophobicContact CD-CB 3.99Å; K465-D568 WeakPolarHBondContact CG-O 3.45Å; K465-D568 IonicContact NZ-OD1 2.67Å; K465-D568 PolarHBondContact NZ-OD1 3.36Å
466	R	83.8	Confident	83.4	Confident	144 Å²	144	51.5 Å²	51.5	54%	0.543	24%	0.235	S	C	.	.	H	α-helix	trans	-62.8	-44.8	178.6	-59.8	-177.4	-172	123.6	-5.6	111.4	E463 Q469 R470	E463-R466 PolarHBondContact O-N 2.8Å; R466-Q469 PolarHBondContact O-N 2.94Å; R466-R470 WeakPolarHBondContact O-CB 3.48Å; R466-R470 PolarHBondContact O-N 2.92Å
467	T	85.6	Confident	82	Confident	24 Å²	24	55.7 Å²	55.7	15%	0.147	26%	0.257	C	S	.	.	H	α-helix	trans	-65.8	-42.1	179	-63.9	0	0	0	0	111.5	E463 R470 W471 F536 V537	E463-T467 WeakPolarHBondContact O-CB 3.35Å; E463-T467 PolarHBondContact O-N 2.82Å; E463-T467 PolarHBondContact O-OG1 2.76Å; T467-R470 PolarHBondContact O-N 3.46Å; T467-W471 WeakPolarHBondContact O-CB 3.28Å; T467-W471 PolarHBondContact O-N 3.43Å; T467-F536 HydrophobicContact CG2-CD1 3.88Å; T467-F536 HydrophobicContact CG2-CE1 4Å; T467-V537 HydrophobicContact CG2-CG2 3.83Å
468	Y	86.1	Confident	80.2	Confident	27 Å²	27	61.1 Å²	61.1	11%	0.106	28%	0.284	C	S	.	.	H	α-helix	trans	-61.8	-43.2	172.2	173.6	-91.8	0	0	0	112.2	W460 A464 K465 W471 R472 L540 P570 A572 F573	W460-Y468 HydrophobicContact CH2-CG 4.49Å; A464-Y468 WeakPolarHBondContact O-CB 3.08Å; A464-Y468 PolarHBondContact O-N 2.89Å; K465-Y468 PolarHBondContact O-N 3.5Å; Y468-W471 HydrophobicContact CD2-CE3 4.09Å; Y468-W471 HydrophobicContact CD2-CZ3 4.2Å; Y468-W471 HydrophobicContact CE2-CE3 4.22Å; Y468-W471 AromaticContact CE2-CZ3 3.96Å; Y468-W471 HydrophobicContact CE2-CZ3 3.96Å; Y468-W471 PolarHBondContact O-N 3.36Å; Y468-R472 HydrophobicContact CD1-CG 4.19Å; Y468-R472 HydrophobicContact CD2-CG 4.43Å; Y468-R472 HydrophobicContact CE1-CG 3.67Å; Y468-R472 HydrophobicContact CE2-CG 3.95Å; Y468-R472 WeakPolarHBondContact O-CB 3.19Å; Y468-R472 WeakPolarHBondContact O-CG 3.44Å; Y468-R472 PolarHBondContact O-N 2.67Å; Y468-L540 HydrophobicContact CD2-CD1 4.14Å; Y468-L540 HydrophobicContact CD2-CD2 4.12Å; Y468-P570 HydrophobicContact CD1-CB 4.08Å; Y468-P570 HydrophobicContact CD1-CG 3.37Å; Y468-P570 HydrophobicContact CD2-CG 4.32Å; Y468-P570 HydrophobicContact CE1-CB 3.65Å; Y468-P570 HydrophobicContact CE1-CG 3.49Å; Y468-P570 VanDerWaalsContact CE1-CG 3.49Å; Y468-P570 HydrophobicContact CE2-CG 4.41Å; Y468-P570 HydrophobicContact CG-CG 3.82Å; Y468-A572 WeakPolarHBondContact OH-CB 3.36Å; Y468-F573 AromaticContact CD2-CE2 3.99Å; Y468-F573 HydrophobicContact CD2-CE2 3.99Å; Y468-F573 AromaticContact CD2-CZ 3.92Å; Y468-F573 HydrophobicContact CD2-CZ 3.92Å; Y468-F573 AromaticContact CE2-CE2 3.83Å; Y468-F573 HydrophobicContact CE2-CE2 3.83Å; Y468-F573 AromaticContact CE2-CZ 3.51Å; Y468-F573 HydrophobicContact CE2-CZ 3.51Å
469	Q	84.6	Confident	78.4	Confident	107 Å²	107	66.5 Å²	66.5	50%	0.5	31%	0.313	S	S	.	.	H	α-helix	trans	-61.5	-49.1	176.5	-75.1	172.2	-61.4	0	0	111.5	K465 R466 W471 R472 V473	K465-Q469 WeakPolarHBondContact O-CB 3.42Å; K465-Q469 VanDerWaalsContact O-CG 3.3Å; K465-Q469 WeakPolarHBondContact O-CG 3.42Å; K465-Q469 PolarHBondContact O-N 3.19Å; K465-Q469 PolarHBondContact O-OE1 3.33Å; R466-Q469 PolarHBondContact O-N 2.94Å; Q469-W471 PolarHBondContact O-N 3.28Å; Q469-R472 PolarHBondContact O-N 3.37Å; Q469-V473 WeakPolarHBondContact O-CG2 3.22Å; Q469-V473 PolarHBondContact O-N 2.72Å
470	R	85	Confident	76.5	Confident	144 Å²	144	70.8 Å²	70.8	54%	0.543	34%	0.336	S	S	.	.	H	α-helix	trans	-59.9	-46	176.7	-169.5	-176.6	-73.7	134.1	-15.2	111.6	R466 T467 R472 V473 N474	R466-R470 WeakPolarHBondContact O-CB 3.48Å; R466-R470 PolarHBondContact O-N 2.92Å; T467-R470 PolarHBondContact O-N 3.46Å; R470-R472 VanDerWaalsContact C-N 3.33Å; R470-R472 PolarHBondContact O-N 3.46Å; R470-V473 PolarHBondContact O-N 2.97Å; R470-N474 PolarHBondContact O-N 2.04Å; R470-N474 PolarHBondContact O-OD1 3.08Å
471	W	83.9	Confident	74.5	Confident	29 Å²	29	72.6 Å²	72.6	11%	0.11	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-37.6	175.6	176.6	81.6	0	0	0	113.2	T467 Y468 Q469 R475 L540 A541 E544	T467-W471 WeakPolarHBondContact O-CB 3.28Å; T467-W471 PolarHBondContact O-N 3.43Å; Y468-W471 HydrophobicContact CD2-CE3 4.09Å; Y468-W471 HydrophobicContact CD2-CZ3 4.2Å; Y468-W471 HydrophobicContact CE2-CE3 4.22Å; Y468-W471 AromaticContact CE2-CZ3 3.96Å; Y468-W471 HydrophobicContact CE2-CZ3 3.96Å; Y468-W471 PolarHBondContact O-N 3.36Å; Q469-W471 PolarHBondContact O-N 3.28Å; W471-R475 PolarHBondContact O-N 3.3Å; W471-L540 HydrophobicContact CH2-CB 4.29Å; W471-L540 HydrophobicContact CZ2-CB 4.33Å; W471-L540 HydrophobicContact CZ3-CB 4.46Å; W471-A541 HydrophobicContact CZ2-CB 3.94Å; W471-E544 HydrophobicContact CH2-CB 4.23Å; W471-E544 WeakPolarHBondContact CH2-OE2 3.47Å
472	R	81.5	Confident	71.9	Confident	96 Å²	96	80.5 Å²	80.5	36%	0.362	38%	0.378	S	S	.	.	H	α-helix	trans	-68.7	-39	174.1	-82.9	-55.6	-45.3	-158.6	-0	113.1	Y468 Q469 R470 V476 E544	Y468-R472 HydrophobicContact CD1-CG 4.19Å; Y468-R472 HydrophobicContact CD2-CG 4.43Å; Y468-R472 HydrophobicContact CE1-CG 3.67Å; Y468-R472 HydrophobicContact CE2-CG 3.95Å; Y468-R472 WeakPolarHBondContact O-CB 3.19Å; Y468-R472 WeakPolarHBondContact O-CG 3.44Å; Y468-R472 PolarHBondContact O-N 2.67Å; Q469-R472 PolarHBondContact O-N 3.37Å; R470-R472 VanDerWaalsContact C-N 3.33Å; R470-R472 PolarHBondContact O-N 3.46Å; R472-V476 WeakPolarHBondContact O-CG2 3.44Å; R472-V476 PolarHBondContact O-N 2.93Å; R472-E544 IonicContact NH1-OE1 3.34Å; R472-E544 PolarHBondContact NH1-OE1 3.29Å
473	V	78.6	Confident	70	Confident	79 Å²	79	87.8 Å²	87.8	48%	0.479	40%	0.4	S	S	.	.	H	α-helix	trans	-68.8	-53.7	178.1	170.3	0	0	0	0	110.4	Q469 R470 R475 V476 D477	Q469-V473 WeakPolarHBondContact O-CG2 3.22Å; Q469-V473 PolarHBondContact O-N 2.72Å; R470-V473 PolarHBondContact O-N 2.97Å; V473-R475 PolarHBondContact O-N 2.95Å; V473-V476 WeakPolarHBondContact O-CA 3.48Å; V473-V476 WeakPolarHBondContact O-CB 3.36Å; V473-V476 PolarHBondContact O-N 3.47Å; V473-D477 VanDerWaalsContact CG1-OD2 3.3Å; V473-D477 WeakPolarHBondContact CG1-OD2 3.4Å; V473-D477 PolarHBondContact O-N 2.71Å
474	N	74.2	Confident	68.2	Low	96 Å²	96	90 Å²	90	51%	0.513	42%	0.417	S	S	.	.	H	α-helix	trans	-54.7	-31.2	179.7	-68.2	28.8	0	0	0	113.2	R470 M478	R470-N474 PolarHBondContact O-N 2.04Å; R470-N474 PolarHBondContact O-OD1 3.08Å; N474-M478 WeakPolarHBondContact O-CB 3.43Å; N474-M478 PolarHBondContact O-N 3.4Å
475	R	66.1	Low	66.2	Low	100 Å²	100	95.8 Å²	95.8	38%	0.377	45%	0.448	S	S	.	.	H	α-helix	trans	-75.3	-30.9	174	-83.4	179.3	158.5	-156.9	2.1	114.4	W471 V473 N479 E544	W471-R475 PolarHBondContact O-N 3.3Å; V473-R475 PolarHBondContact O-N 2.95Å; R475-N479 WeakPolarHBondContact O-CB 3.33Å; R475-N479 PolarHBondContact O-N 3.1Å; R475-N479 VanDerWaalsContact O-N 3.14Å; R475-E544 IonicContact CZ-OE2 3.8Å; R475-E544 IonicContact NH1-OE2 3.5Å; R475-E544 PolarHBondContact NH1-OE2 3.22Å
476	V	60.8	Low	64	Low	67 Å²	67	100 Å²	100	41%	0.406	47%	0.467	S	S	.	.	H	α-helix	trans	-69.5	-44.3	171.8	171.2	0	0	0	0	109.5	R472 V473 N479 N480	R472-V476 WeakPolarHBondContact O-CG2 3.44Å; R472-V476 PolarHBondContact O-N 2.93Å; V473-V476 WeakPolarHBondContact O-CA 3.48Å; V473-V476 WeakPolarHBondContact O-CB 3.36Å; V473-V476 PolarHBondContact O-N 3.47Å; V476-N479 PolarHBondContact O-N 2.86Å; V476-N480 VanDerWaalsContact O-CG 3.25Å; V476-N480 PolarHBondContact O-N 2.82Å; V476-N480 PolarHBondContact O-ND2 2.86Å
477	D	58.7	Low	62.3	Low	89 Å²	89	100.1 Å²	100.1	48%	0.476	48%	0.476	S	S	.	.	H	α-helix	trans	-66.6	-40.7	179.4	-59.8	-38.1	0	0	0	112.4	V473 N479 N480 S481	V473-D477 VanDerWaalsContact CG1-OD2 3.3Å; V473-D477 WeakPolarHBondContact CG1-OD2 3.4Å; V473-D477 PolarHBondContact O-N 2.71Å; D477-N479 PolarHBondContact O-N 2.88Å; D477-N480 PolarHBondContact O-N 2.87Å; D477-N480 VanDerWaalsContact O-N 3.14Å; D477-S481 PolarHBondContact O-N 2.81Å
478	M	54.3	Low	59.9	Low	115 Å²	115	110.2 Å²	110.2	57%	0.567	51%	0.512	S	S	*	.	H	α-helix	trans	-59.6	-43.6	169.9	-97.5	-78.2	111.7	0	0	112.5	N474 N480 S481 W482	N474-M478 WeakPolarHBondContact O-CB 3.43Å; N474-M478 PolarHBondContact O-N 3.4Å; M478-N480 PolarHBondContact O-N 3.14Å; M478-S481 PolarHBondContact O-N 2.77Å; M478-W482 WeakPolarHBondContact O-CB 3.46Å; M478-W482 PolarHBondContact O-N 3.05Å
479	N	54.1	Low	57.3	Low	114 Å²	114	113.4 Å²	113.4	61%	0.61	54%	0.544	S	S	*	.	H	α-helix	trans	-64.7	-24.6	175.8	-95.5	-17.7	0	0	0	113.5	R475 V476 D477 R483	R475-N479 WeakPolarHBondContact O-CB 3.33Å; R475-N479 PolarHBondContact O-N 3.1Å; R475-N479 VanDerWaalsContact O-N 3.14Å; V476-N479 PolarHBondContact O-N 2.86Å; D477-N479 PolarHBondContact O-N 2.88Å; N479-R483 WeakPolarHBondContact O-CD 3.47Å; N479-R483 WeakPolarHBondContact O-CG 3.47Å
480	N	52	Low	55.1	Low	89 Å²	89	114 Å²	114	48%	0.476	56%	0.557	S	S	.	*	H	α-helix	trans	-80.4	-46.5	174.3	-66.3	-25	0	0	0	111	V476 D477 M478 W482 R483 T484	V476-N480 VanDerWaalsContact O-CG 3.25Å; V476-N480 PolarHBondContact O-N 2.82Å; V476-N480 PolarHBondContact O-ND2 2.86Å; D477-N480 PolarHBondContact O-N 2.87Å; D477-N480 VanDerWaalsContact O-N 3.14Å; M478-N480 PolarHBondContact O-N 3.14Å; N480-W482 PolarHBondContact O-N 2.99Å; N480-R483 WeakPolarHBondContact O-CB 3.41Å; N480-R483 PolarHBondContact O-N 3.34Å; N480-R483 VanDerWaalsContact O-N 3.1Å; N480-T484 PolarHBondContact O-N 2.77Å; N480-T484 PolarHBondContact O-OG1 2.94Å
481	S	48.7	Very low	52.5	Low	39 Å²	39	113.6 Å²	113.6	27%	0.273	57%	0.571	S	S	.	*	H	α-helix	trans	-57	-46.1	174.3	153.8	0	0	0	0	112.2	D477 M478 R483 T484 D485	D477-S481 PolarHBondContact O-N 2.81Å; M478-S481 PolarHBondContact O-N 2.77Å; S481-R483 PolarHBondContact O-N 2.97Å; S481-R483 VanDerWaalsContact O-N 3.11Å; S481-T484 WeakPolarHBondContact CA-OG1 3.41Å; S481-T484 PolarHBondContact O-N 3.38Å; S481-T484 PolarHBondContact O-OG1 3.07Å; S481-D485 PolarHBondContact O-N 3.07Å
482	W	33.8	Very low	50	Low	168 Å²	168	120.1 Å²	120.1	64%	0.636	60%	0.602	S	S	*	*	H	α-helix	trans	-67.9	-11.5	179.4	-125.3	75.9	0	0	0	114.2	M478 N480	M478-W482 WeakPolarHBondContact O-CB 3.46Å; M478-W482 PolarHBondContact O-N 3.05Å; N480-W482 PolarHBondContact O-N 2.99Å
483	R	42.1	Very low	47.5	Very low	196 Å²	196	122.3 Å²	122.3	74%	0.74	62%	0.621	S	S	*	*	H	α-helix	trans	-87.6	-29.4	170.2	-73.8	174.6	177.8	-136.1	-1.1	112.7	N479 N480 S481	N479-R483 WeakPolarHBondContact O-CD 3.47Å; N479-R483 WeakPolarHBondContact O-CG 3.47Å; N480-R483 WeakPolarHBondContact O-CB 3.41Å; N480-R483 PolarHBondContact O-N 3.34Å; N480-R483 VanDerWaalsContact O-N 3.1Å; S481-R483 PolarHBondContact O-N 2.97Å; S481-R483 VanDerWaalsContact O-N 3.11Å
484	T	47.3	Very low	45.2	Very low	97 Å²	97	126.6 Å²	126.6	60%	0.595	64%	0.635	S	S	*	*	H	α-helix	trans	-77.9	-39.7	176.8	32	0	0	0	0	113.2	N480 S481 K486 I487	N480-T484 PolarHBondContact O-N 2.77Å; N480-T484 PolarHBondContact O-OG1 2.94Å; S481-T484 WeakPolarHBondContact CA-OG1 3.41Å; S481-T484 PolarHBondContact O-N 3.38Å; S481-T484 PolarHBondContact O-OG1 3.07Å; T484-K486 PolarHBondContact O-N 3.07Å; T484-K486 VanDerWaalsContact O-N 3.12Å; T484-I487 PolarHBondContact O-N 3.22Å
485	D	42.6	Very low	43.1	Very low	122 Å²	122	130.1 Å²	130.1	65%	0.652	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-7	-174.5	-67.8	-41.6	0	0	0	114.5	S481	S481-D485 PolarHBondContact O-N 3.07Å
486	K	41.2	Very low	41.5	Very low	158 Å²	158	134.8 Å²	134.8	69%	0.687	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	3.2	172.8	-76.8	-166.9	172.6	-171.4	0	114.9	T484	T484-K486 PolarHBondContact O-N 3.07Å; T484-K486 VanDerWaalsContact O-N 3.12Å
487	I	47.3	Very low	40	Very low	146 Å²	146	138.6 Å²	138.6	75%	0.749	70%	0.699	S	S	*	*	S	Bend	trans	-124.2	47.7	179.5	-39.3	-177.1	0	0	0	111.6	T484	T484-I487 PolarHBondContact O-N 3.22Å
488	R	35	Very low	38.4	Very low	236 Å²	236	140.7 Å²	140.7	89%	0.891	72%	0.716	S	S	*	*			trans	-154.7	89.2	163.1	-118.5	173.7	-167.4	179.8	4.3	113.7
489	A	32.1	Very low	37	Very low	95 Å²	95	138.7 Å²	138.7	79%	0.785	72%	0.724	S	S	*	*			trans	-107.6	109.5	159.6	0	0	0	0	0	108.7
490	P	36.9	Very low	35.6	Very low	120 Å²	120	139 Å²	139	78%	0.779	74%	0.735	S	S	*	*			trans	-86.6	107.6	174	32	-29.5	0	0	0	110.2
491	V	31.3	Very low	34.4	Very low	135 Å²	135	145.9 Å²	145.9	82%	0.818	76%	0.755	S	S	*	*			trans	-74.5	154.6	161.2	-176.5	0	0	0	0	108.2
492	H	32.4	Very low	33.3	Very low	165 Å²	165	149.8 Å²	149.8	76%	0.764	78%	0.777	S	S	*	*			trans	-53.1	158.8	167.8	-69.7	3.2	0	0	0	111
493	D	28.7	Very low	33	Very low	143 Å²	143	148.7 Å²	148.7	77%	0.765	78%	0.779	S	S	*	*			cis	-160.3	-179.4	42.1	-143.6	-29.8	0	0	0	114.3
494	H	29.9	Very low	32.2	Very low	169 Å²	169	147 Å²	147	78%	0.782	78%	0.777	S	S	*	*			trans	-87.1	130.5	172.8	-67.6	-90.7	0	0	0	112.8
495	L	30.4	Very low	31.2	Very low	170 Å²	170	148.4 Å²	148.4	89%	0.89	79%	0.785	S	S	*	*				-174.5	172	106.8	-130.8	62.4	0	0	0	113.1
496	K	32.2	Very low	30.4	Very low	197 Å²	197	148.9 Å²	148.9	86%	0.857	79%	0.788	S	S	*	*			trans	-91.6	148.3	-172.2	-60	169.2	177.1	172.9	0	113.8
497	V	27.9	Very low	29.8	Very low	147 Å²	147	147.9 Å²	147.9	89%	0.891	79%	0.789	S	S	*	*			trans	-136.8	168	148.1	-176.6	0	0	0	0	109.3
498	T	25.3	Very low	29	Very low	134 Å²	134	148.1 Å²	148.1	82%	0.822	79%	0.787	S	S	*	*			trans	-102.3	157.1	-156.8	50.2	0	0	0	0	117.8
499	G	25.9	Very low	28.6	Very low	73 Å²	73	145.7 Å²	145.7	75%	0.753	78%	0.784	S	S	*	*			trans	86.5	126.3	154.5	0	0	0	0	0	115.4
500	S	25.1	Very low	28.5	Very low	120 Å²	120	146.5 Å²	146.5	84%	0.839	78%	0.782	S	S	*	*			cis	74.2	107.9	22.5	-167.6	0	0	0	0	117.3
501	R	27.1	Very low	28.2	Very low	233 Å²	233	148.2 Å²	148.2	88%	0.879	78%	0.783	S	S	*	*				-173.5	164	126	-124.5	-179.4	175.8	173.9	-0.8	114.9
502	V	25.3	Very low	28	Very low	122 Å²	122	149.6 Å²	149.6	74%	0.739	78%	0.78	S	S	*	*			trans	68.8	117.1	170.6	-141.9	0	0	0	0	113.1
503	E	26.3	Very low	27.8	Very low	144 Å²	144	147.8 Å²	147.8	67%	0.673	79%	0.787	S	S	*	*				54.2	143.2	67.5	-63.8	-159.8	146.8	0	0	112.9
504	K	26.2	Very low	27.8	Very low	161 Å²	161	148.4 Å²	148.4	70%	0.7	79%	0.785	S	S	*	*			cis	-161.2	178.5	4.5	-121.5	162.8	-170.6	148.8	0	106.6
505	V	25.3	Very low	27.6	Very low	127 Å²	127	152 Å²	152	77%	0.77	79%	0.791	S	S	*	*			cis	-144.7	170.2	15.3	-164.3	0	0	0	0	109.2
506	N	27.4	Very low	27.5	Very low	132 Å²	132	147 Å²	147	71%	0.706	78%	0.775	S	S	*	*			trans	-51.6	174.1	155.4	-65	49.8	0	0	0	114.7
507	D	28.1	Very low	27.2	Very low	136 Å²	136	145.2 Å²	145.2	73%	0.727	78%	0.775	S	S	*	*			cis	-159.2	-169.9	2	-132.7	-48.3	0	0	0	112.6
508	E	29.4	Very low	27	Very low	151 Å²	151	143 Å²	143	71%	0.706	76%	0.764	S	S	*	*			trans	90.8	73.6	146.7	-150.1	89.7	-114.8	0	0	120.9
509	K	28.1	Very low	27.1	Very low	186 Å²	186	146.7 Å²	146.7	81%	0.809	77%	0.77	S	S	*	*				76.7	151.1	116.5	-151.3	167.7	-176.3	174.4	0	123.1
510	C	30	Very low	27.2	Very low	112 Å²	112	152 Å²	152	76%	0.757	78%	0.775	S	S	*	*			trans	-103.6	159.8	-173.5	-37.1	0	0	0	0	114
511	I	29.2	Very low	27.5	Very low	156 Å²	156	153.4 Å²	153.4	80%	0.8	77%	0.773	S	S	*	*			trans	-156.1	102.1	133	-68.5	-157.2	0	0	0	104.8
512	E	28.9	Very low	27.7	Very low	163 Å²	163	151.5 Å²	151.5	76%	0.762	77%	0.774	S	S	*	*				81.9	128	81.6	-171.1	176.8	-134.3	0	0	114.9
513	S	26.2	Very low	28	Very low	128 Å²	128	151.3 Å²	151.3	90%	0.895	77%	0.769	S	S	*	*			trans	-159.2	115	156.9	-174.4	0	0	0	0	108.5
514	E	29.5	Very low	28.5	Very low	155 Å²	155	149.8 Å²	149.8	72%	0.724	77%	0.774	S	S	*	*			trans	-96.6	143.2	-167.5	-174.4	-168.9	-150.7	0	0	112.3
515	R	25.2	Very low	28.8	Very low	244 Å²	244	150.5 Å²	150.5	92%	0.921	78%	0.78	S	S	*	*			trans	-154.3	90.2	142.2	-127.6	173.4	-168.1	159.1	7.7	113.5
516	A	30	Very low	29.8	Very low	67 Å²	67	154 Å²	154	55%	0.554	79%	0.785	S	S	*	*			trans	-63	153.1	157.1	0	0	0	0	0	110.4
517	N	24.7	Very low	30	Very low	159 Å²	159	156.4 Å²	156.4	85%	0.85	79%	0.792	S	S	*	*			trans	-158.4	127.5	138.9	-115.7	-16.1	0	0	0	111.4
518	C	24.1	Very low	30.6	Very low	99 Å²	99	155.3 Å²	155.3	67%	0.669	79%	0.792	S	S	*	*			trans	-57.8	146.5	-176.9	-47.6	0	0	0	0	113
519	F	27.1	Very low	31.4	Very low	212 Å²	212	153.2 Å²	153.2	93%	0.93	79%	0.794	S	S	*	*			trans	-120.5	128.6	133.4	-86.6	-83	0	0	0	106.7
520	E	29.2	Very low	33.1	Very low	184 Å²	184	147 Å²	147	86%	0.86	77%	0.772	S	S	*	*			trans	-74.8	143.7	-174.3	-63.3	-174	133.4	0	0	111.3	E522	E520-E522 PolarHBondContact O-N 2.94Å
521	D	30.5	Very low	35.5	Very low	151 Å²	151	142.9 Å²	142.9	81%	0.807	74%	0.743	S	S	*	*			trans	-91.9	83.2	179.6	-168.5	18.6	0	0	0	109.6
522	E	31.9	Very low	38.2	Very low	193 Å²	193	135.9 Å²	135.9	90%	0.902	71%	0.708	S	S	*	*			trans	-115.1	64.4	174.7	-160.2	-179.4	-141.9	0	0	111.2	E520	E520-E522 PolarHBondContact O-N 2.94Å
523	D	30.9	Very low	40.8	Very low	118 Å²	118	133.3 Å²	133.3	63%	0.631	69%	0.694	S	S	*	*			trans	-131.2	71.4	165.4	-163.1	-8.6	0	0	0	109.8
524	S	37.8	Very low	43.7	Very low	112 Å²	112	129.6 Å²	129.6	78%	0.783	67%	0.667	S	S	*	*			trans	-120	28.7	-176.5	-79.7	0	0	0	0	114.6
525	Q	32.1	Very low	46.5	Very low	175 Å²	175	122.3 Å²	122.3	82%	0.818	63%	0.633	S	S	*	*	S	Bend	trans	-131.4	114.2	153.9	-73	-159.9	-2	0	0	111	E527	Q525-E527 PolarHBondContact O-N 3.26Å; Q525-E527 VanDerWaalsContact O-N 3.13Å
526	K	44.9	Very low	49.6	Very low	202 Å²	202	110.8 Å²	110.8	88%	0.878	59%	0.589	S	S	*	*			trans	-72.1	101.4	178.5	-77.2	179	175.6	173.3	0	111.4	P528	K526-P528 VanDerWaalsContact C-CD 3.49Å; K526-P528 WeakPolarHBondContact O-CD 3.27Å
527	E	32.3	Very low	52.3	Low	181 Å²	181	109.8 Å²	109.8	85%	0.846	58%	0.576	S	S	*	*			trans	-109.8	90.2	151	-75.7	-154.6	137.4	0	0	111.3	Q525	Q525-E527 PolarHBondContact O-N 3.26Å; Q525-E527 VanDerWaalsContact O-N 3.13Å
528	P	40.2	Very low	55.3	Low	114 Å²	114	102.5 Å²	102.5	74%	0.74	54%	0.538	S	S	*	.			trans	-102.6	68.3	-179.1	39.2	-33.3	0	0	0	113	K526	K526-P528 VanDerWaalsContact C-CD 3.49Å; K526-P528 WeakPolarHBondContact O-CD 3.27Å
529	S	46.7	Very low	58.4	Low	107 Å²	107	97.8 Å²	97.8	75%	0.748	51%	0.506	S	S	*	.			trans	-166.9	36.6	157.5	59.2	0	0	0	0	116.8	V531	S529-V531 PolarHBondContact O-N 2.95Å; S529-V531 VanDerWaalsContact O-N 3.12Å
530	T	63.8	Low	61.3	Low	56 Å²	56	87.7 Å²	87.7	34%	0.344	46%	0.462	S	S	.	.			trans	-62.4	119	158.3	56.3	0	0	0	0	109.1	D391 I532 K533 P534	D391-T530 HydrophobicContact CB-CG2 4.29Å; D391-T530 VanDerWaalsContact CG-CB 3.48Å; D391-T530 VanDerWaalsContact CG-OG1 3.24Å; D391-T530 WeakPolarHBondContact OD1-CB 3.32Å; D391-T530 PolarHBondContact OD1-OG1 2.85Å; D391-T530 WeakPolarHBondContact OD2-CB 3.07Å; D391-T530 PolarHBondContact OD2-OG1 2.94Å; T530-I532 PolarHBondContact O-N 3.13Å; T530-I532 VanDerWaalsContact O-N 3.11Å; T530-K533 PolarHBondContact O-N 2.87Å; T530-P534 WeakPolarHBondContact O-CD 3.45Å
531	V	80.6	Confident	64	Low	25 Å²	25	80 Å²	80	15%	0.152	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.8	-178.7	157.7	0	0	0	0	112	A417 Q421 V433 S529 K533 P534 V535	A417-V531 HydrophobicContact CB-CG1 3.85Å; Q421-V531 HydrophobicContact CG-CB 4.36Å; Q421-V531 HydrophobicContact CG-CG2 4.01Å; V433-V531 HydrophobicContact CG1-CB 4.48Å; V433-V531 HydrophobicContact CG1-CG1 3.75Å; V433-V531 HydrophobicContact CG1-CG2 3.85Å; V433-V531 HydrophobicContact CG2-CG1 4.4Å; S529-V531 PolarHBondContact O-N 2.95Å; S529-V531 VanDerWaalsContact O-N 3.12Å; V531-K533 PolarHBondContact O-N 2.81Å; V531-P534 WeakPolarHBondContact O-CD 3.47Å; V531-V535 HydrophobicContact CG1-CG2 3.86Å; V531-V535 WeakPolarHBondContact O-CB 3.04Å; V531-V535 WeakPolarHBondContact O-CG2 3.02Å; V531-V535 PolarHBondContact O-N 2.73Å
532	I	84.9	Confident	66.7	Low	9 Å²	9	73.4 Å²	73.4	5%	0.046	40%	0.396	C	S	.	.	H	α-helix	trans	-57.7	-47.1	-177.1	-64.9	173.1	0	0	0	111.9	C388 D391 V396 L418 T530 V535 F536	C388-I532 HydrophobicContact CB-CB 4.32Å; C388-I532 HydrophobicContact CB-CD1 3.88Å; C388-I532 HydrophobicContact CB-CG1 3.87Å; C388-I532 HydrophobicContact CB-CG2 3.59Å; D391-I532 VanDerWaalsContact OD1-CB 3.3Å; D391-I532 WeakPolarHBondContact OD1-CB 3.08Å; D391-I532 WeakPolarHBondContact OD1-CD1 3.47Å; V396-I532 HydrophobicContact CG2-CD1 3.86Å; L418-I532 HydrophobicContact CD2-CD1 3.97Å; L418-I532 HydrophobicContact CD2-CG1 4.43Å; T530-I532 PolarHBondContact O-N 3.13Å; T530-I532 VanDerWaalsContact O-N 3.11Å; I532-V535 PolarHBondContact O-N 2.82Å; I532-F536 VanDerWaalsContact O-CB 3.24Å; I532-F536 WeakPolarHBondContact O-CB 3.47Å; I532-F536 PolarHBondContact O-N 2.92Å
533	K	85.2	Confident	69.3	Low	109 Å²	109	64.2 Å²	64.2	47%	0.474	35%	0.353	S	S	.	.	H	α-helix	trans	-66.3	-46.5	-170.6	-179.1	177.3	179.8	-179.9	0	112.7	T530 V531 V537	T530-K533 PolarHBondContact O-N 2.87Å; V531-K533 PolarHBondContact O-N 2.81Å; K533-V537 WeakPolarHBondContact O-CG2 3.44Å; K533-V537 PolarHBondContact O-N 3.2Å
534	P	86.9	Confident	71.8	Confident	50 Å²	50	60.5 Å²	60.5	33%	0.325	33%	0.332	S	S	.	.	H	α-helix	trans	-64.7	-42.2	170.5	-23.4	35	0	0	0	113.8	P438 L439 T530 V531 F536 V537 A538	P438-P534 HydrophobicContact CB-CB 4.02Å; P438-P534 HydrophobicContact CG-CB 3.86Å; P438-P534 HydrophobicContact CG-CG 4.35Å; L439-P534 HydrophobicContact CD1-CB 3.94Å; T530-P534 WeakPolarHBondContact O-CD 3.45Å; V531-P534 WeakPolarHBondContact O-CD 3.47Å; P534-F536 PolarHBondContact O-N 2.82Å; P534-V537 PolarHBondContact O-N 2.91Å; P534-A538 WeakPolarHBondContact O-CB 3.17Å; P534-A538 PolarHBondContact O-N 2.82Å
535	V	87.6	Confident	73.9	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.012	31%	0.312	C	S	.	.	H	α-helix	trans	-61.9	-43.8	178.4	171.2	0	0	0	0	110.9	V387 A417 P438 L442 V531 I532 V537 A538 A539	V387-V535 HydrophobicContact CG1-CG1 4.31Å; V387-V535 HydrophobicContact CG2-CG1 4.5Å; A417-V535 HydrophobicContact CB-CG1 4.22Å; A417-V535 HydrophobicContact CB-CG2 4.23Å; P438-V535 HydrophobicContact CB-CG2 3.62Å; L442-V535 HydrophobicContact CB-CG1 4.48Å; L442-V535 HydrophobicContact CD1-CG1 4.05Å; L442-V535 HydrophobicContact CD2-CG1 4.21Å; L442-V535 WeakPolarHBondContact CD2-O 3.36Å; L442-V535 HydrophobicContact CG-CG1 4.47Å; V531-V535 HydrophobicContact CG1-CG2 3.86Å; V531-V535 WeakPolarHBondContact O-CB 3.04Å; V531-V535 WeakPolarHBondContact O-CG2 3.02Å; V531-V535 PolarHBondContact O-N 2.73Å; I532-V535 PolarHBondContact O-N 2.82Å; V535-V537 PolarHBondContact O-N 2.72Å; V535-A538 PolarHBondContact O-N 3Å; V535-A539 WeakPolarHBondContact O-CB 3.05Å; V535-A539 PolarHBondContact O-N 2.91Å
536	F	89.8	Confident	76.3	Confident	1 Å²	1	49.5 Å²	49.5	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-62.7	-44	177.8	-179.5	-115.8	0	0	0	112.3	V387 C388 S389 I458 W460 A464 T467 I532 P534 A538 A539 L540	V387-F536 HydrophobicContact CG1-CD2 4.21Å; C388-F536 WeakPolarHBondContact O-CB 3.32Å; S389-F536 VanDerWaalsContact CB-CE2 3.4Å; I458-F536 HydrophobicContact CG2-CD2 4.42Å; I458-F536 HydrophobicContact CG2-CE2 3.84Å; W460-F536 HydrophobicContact CE3-CE2 4.45Å; W460-F536 HydrophobicContact CE3-CZ 4.39Å; W460-F536 HydrophobicContact CH2-CZ 4.02Å; W460-F536 HydrophobicContact CZ3-CE2 4.14Å; W460-F536 AromaticContact CZ3-CZ 3.86Å; W460-F536 HydrophobicContact CZ3-CZ 3.86Å; A464-F536 HydrophobicContact CB-CE1 4.06Å; A464-F536 HydrophobicContact CB-CE2 4.37Å; A464-F536 HydrophobicContact CB-CZ 3.62Å; T467-F536 HydrophobicContact CG2-CD1 3.88Å; T467-F536 HydrophobicContact CG2-CE1 4Å; I532-F536 VanDerWaalsContact O-CB 3.24Å; I532-F536 WeakPolarHBondContact O-CB 3.47Å; I532-F536 PolarHBondContact O-N 2.92Å; P534-F536 PolarHBondContact O-N 2.82Å; F536-A538 VanDerWaalsContact C-N 3.35Å; F536-A538 PolarHBondContact O-N 2.91Å; F536-A539 PolarHBondContact O-N 3.42Å; F536-L540 HydrophobicContact CD1-CD1 4.13Å; F536-L540 HydrophobicContact CE1-CD1 3.54Å; F536-L540 HydrophobicContact CE1-CG 4.1Å; F536-L540 HydrophobicContact CE2-CD1 4.46Å; F536-L540 HydrophobicContact CE2-CD2 4.18Å; F536-L540 HydrophobicContact CE2-CG 4.13Å; F536-L540 HydrophobicContact CZ-CD1 3.72Å; F536-L540 HydrophobicContact CZ-CD2 3.9Å; F536-L540 HydrophobicContact CZ-CG 3.85Å; F536-L540 WeakPolarHBondContact O-CG 3.37Å; F536-L540 PolarHBondContact O-N 2.93Å
537	V	87.8	Confident	78	Confident	46 Å²	46	42.5 Å²	42.5	28%	0.279	25%	0.249	S	C	.	.	H	α-helix	trans	-64.6	-39.2	177.5	168.5	0	0	0	0	111.8	T467 K533 P534 V535 L540 A541	T467-V537 HydrophobicContact CG2-CG2 3.83Å; K533-V537 WeakPolarHBondContact O-CG2 3.44Å; K533-V537 PolarHBondContact O-N 3.2Å; P534-V537 PolarHBondContact O-N 2.91Å; V535-V537 PolarHBondContact O-N 2.72Å; V537-L540 PolarHBondContact O-N 2.92Å; V537-A541 PolarHBondContact O-N 3.18Å
538	A	87.9	Confident	80.2	Confident	6 Å²	6	41 Å²	41	5%	0.05	25%	0.246	C	C	.	.	H	α-helix	trans	-67.9	-38.3	174	0	0	0	0	0	112	L439 L442 P534 V535 F536 A541 S542	L439-A538 HydrophobicContact CD1-CB 4.19Å; L439-A538 HydrophobicContact CG-CB 3.94Å; L442-A538 HydrophobicContact CD2-CB 3.58Å; P534-A538 WeakPolarHBondContact O-CB 3.17Å; P534-A538 PolarHBondContact O-N 2.82Å; V535-A538 PolarHBondContact O-N 3Å; F536-A538 VanDerWaalsContact C-N 3.35Å; F536-A538 PolarHBondContact O-N 2.91Å; A538-A541 WeakPolarHBondContact O-CB 3.49Å; A538-A541 PolarHBondContact O-N 3.19Å; A538-S542 PolarHBondContact O-N 2.7Å; A538-S542 PolarHBondContact O-OG 2.88Å; A538-S542 VanDerWaalsContact O-OG 3.07Å
539	A	88.8	Confident	82	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.8	-37.8	175	0	0	0	0	0	112.8	V387 L442 M456 V535 F536 S542 L543	V387-A539 HydrophobicContact CG1-CB 3.87Å; V387-A539 HydrophobicContact CG2-CB 4.27Å; L442-A539 HydrophobicContact CD2-CB 3.94Å; M456-A539 HydrophobicContact CE-CB 3.84Å; M456-A539 HydrophobicContact SD-CB 4.3Å; V535-A539 WeakPolarHBondContact O-CB 3.05Å; V535-A539 PolarHBondContact O-N 2.91Å; F536-A539 PolarHBondContact O-N 3.42Å; A539-S542 PolarHBondContact O-N 2.95Å; A539-L543 WeakPolarHBondContact O-CB 3.48Å; A539-L543 PolarHBondContact O-N 3.21Å
540	L	88.2	Confident	82.9	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62	-41.4	171.7	-73.8	177.6	0	0	0	112	W460 Y468 W471 F536 V537 L543 E544 F573	W460-L540 HydrophobicContact CH2-CD2 3.98Å; W460-L540 HydrophobicContact CZ3-CD2 3.87Å; Y468-L540 HydrophobicContact CD2-CD1 4.14Å; Y468-L540 HydrophobicContact CD2-CD2 4.12Å; W471-L540 HydrophobicContact CH2-CB 4.29Å; W471-L540 HydrophobicContact CZ2-CB 4.33Å; W471-L540 HydrophobicContact CZ3-CB 4.46Å; F536-L540 HydrophobicContact CD1-CD1 4.13Å; F536-L540 HydrophobicContact CE1-CD1 3.54Å; F536-L540 HydrophobicContact CE1-CG 4.1Å; F536-L540 HydrophobicContact CE2-CD1 4.46Å; F536-L540 HydrophobicContact CE2-CD2 4.18Å; F536-L540 HydrophobicContact CE2-CG 4.13Å; F536-L540 HydrophobicContact CZ-CD1 3.72Å; F536-L540 HydrophobicContact CZ-CD2 3.9Å; F536-L540 HydrophobicContact CZ-CG 3.85Å; F536-L540 WeakPolarHBondContact O-CG 3.37Å; F536-L540 PolarHBondContact O-N 2.93Å; V537-L540 PolarHBondContact O-N 2.92Å; L540-L543 PolarHBondContact O-N 2.73Å; L540-E544 PolarHBondContact O-N 3.26Å; L540-F573 HydrophobicContact CD2-CE2 4.2Å; L540-F573 HydrophobicContact CD2-CZ 3.93Å
541	A	86.1	Confident	83	Confident	22 Å²	22	41.3 Å²	41.3	18%	0.182	24%	0.238	C	C	.	.	H	α-helix	trans	-65.3	-43.3	175.8	0	0	0	0	0	112.1	W471 V537 A538 E544 A545	W471-A541 HydrophobicContact CZ2-CB 3.94Å; V537-A541 PolarHBondContact O-N 3.18Å; A538-A541 WeakPolarHBondContact O-CB 3.49Å; A538-A541 PolarHBondContact O-N 3.19Å; A541-E544 PolarHBondContact O-N 2.83Å; A541-A545 PolarHBondContact O-N 2.87Å; A541-A545 VanDerWaalsContact O-N 3.1Å
542	S	85.3	Confident	82.3	Confident	14 Å²	14	40.6 Å²	40.6	10%	0.098	24%	0.235	C	C	.	.	H	α-helix	trans	-61.6	-41.2	174.8	-57.5	0	0	0	0	112.3	Y443 A538 A539 A546	Y443-S542 WeakPolarHBondContact CE1-OG 3.17Å; A538-S542 PolarHBondContact O-N 2.7Å; A538-S542 PolarHBondContact O-OG 2.88Å; A538-S542 VanDerWaalsContact O-OG 3.07Å; A539-S542 PolarHBondContact O-N 2.95Å; S542-A546 VanDerWaalsContact O-CB 3.3Å; S542-A546 WeakPolarHBondContact O-CB 3.45Å; S542-A546 PolarHBondContact O-N 3.23Å
543	L	86.4	Confident	81.6	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.1	-43.8	177.2	174.6	59.4	0	0	0	112.3	I458 A539 L540 A545 A546 L547 V555 F573 V576	I458-L543 HydrophobicContact CD1-CD2 3.68Å; A539-L543 WeakPolarHBondContact O-CB 3.48Å; A539-L543 PolarHBondContact O-N 3.21Å; L540-L543 PolarHBondContact O-N 2.73Å; L543-A545 VanDerWaalsContact C-N 3.32Å; L543-A545 PolarHBondContact O-N 2.78Å; L543-A546 PolarHBondContact O-N 2.72Å; L543-L547 HydrophobicContact CD1-CD1 3.78Å; L543-L547 HydrophobicContact CD1-CG 3.93Å; L543-L547 HydrophobicContact CG-CD1 3.89Å; L543-L547 HydrophobicContact CG-CG 4.47Å; L543-L547 WeakPolarHBondContact O-CB 3.2Å; L543-L547 VanDerWaalsContact O-CG 3.3Å; L543-L547 WeakPolarHBondContact O-CG 3.41Å; L543-L547 PolarHBondContact O-N 3.23Å; L543-V555 HydrophobicContact CD1-CB 4.16Å; L543-V555 HydrophobicContact CD1-CG1 4.15Å; L543-V555 HydrophobicContact CD1-CG2 4.03Å; L543-F573 HydrophobicContact CD2-CD1 3.61Å; L543-F573 HydrophobicContact CD2-CE1 3.52Å; L543-F573 HydrophobicContact CD2-CG 4.22Å; L543-F573 HydrophobicContact CD2-CZ 4.06Å; L543-F573 HydrophobicContact CG-CD1 4.14Å; L543-F573 HydrophobicContact CG-CE1 3.92Å; L543-V576 HydrophobicContact CD1-CG2 4.06Å
544	E	84	Confident	81.3	Confident	40 Å²	40	45.2 Å²	45.2	19%	0.187	26%	0.257	C	S	.	.	H	α-helix	trans	-63.5	-40.1	178.5	-161.2	-177.4	-133.8	0	0	110.9	W471 R472 R475 L540 A541 L547 L548	W471-E544 HydrophobicContact CH2-CB 4.23Å; W471-E544 WeakPolarHBondContact CH2-OE2 3.47Å; R472-E544 IonicContact NH1-OE1 3.34Å; R472-E544 PolarHBondContact NH1-OE1 3.29Å; R475-E544 IonicContact CZ-OE2 3.8Å; R475-E544 IonicContact NH1-OE2 3.5Å; R475-E544 PolarHBondContact NH1-OE2 3.22Å; L540-E544 PolarHBondContact O-N 3.26Å; A541-E544 PolarHBondContact O-N 2.83Å; E544-L547 PolarHBondContact O-N 2.03Å; E544-L548 WeakPolarHBondContact O-CG 3.46Å; E544-L548 PolarHBondContact O-N 2.03Å; E544-L548 VanDerWaalsContact O-N 3.13Å
545	A	82	Confident	81.3	Confident	45 Å²	45	42.9 Å²	42.9	37%	0.372	24%	0.242	S	C	.	.	H	α-helix	trans	-63.7	-48.8	172.5	0	0	0	0	0	112.6	A541 L543 L547 L548 E549	A541-A545 PolarHBondContact O-N 2.87Å; A541-A545 VanDerWaalsContact O-N 3.1Å; L543-A545 VanDerWaalsContact C-N 3.32Å; L543-A545 PolarHBondContact O-N 2.78Å; A545-L547 PolarHBondContact O-N 3.25Å; A545-L548 PolarHBondContact O-N 3.26Å; A545-L548 VanDerWaalsContact O-N 3.12Å; A545-E549 PolarHBondContact O-N 3.26Å
546	A	82	Confident	81.4	Confident	11 Å²	11	42.9 Å²	42.9	9%	0.091	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-30.6	178.5	0	0	0	0	0	113	W446 S542 L543 G550 K551 G552	W446-A546 HydrophobicContact CH2-CB 4.45Å; W446-A546 HydrophobicContact CZ2-CB 4.17Å; S542-A546 VanDerWaalsContact O-CB 3.3Å; S542-A546 WeakPolarHBondContact O-CB 3.45Å; S542-A546 PolarHBondContact O-N 3.23Å; L543-A546 PolarHBondContact O-N 2.72Å; A546-G550 PolarHBondContact O-N 3.12Å; A546-K551 CarbonylContact O-C 3.51Å; A546-K551 WeakPolarHBondContact O-CA 3.44Å; A546-K551 PolarHBondContact O-N 2.85Å; A546-G552 PolarHBondContact O-N 3.46Å
547	L	81.7	Confident	81.4	Confident	54 Å²	54	42.8 Å²	42.8	28%	0.283	24%	0.242	S	C	.	.	H	α-helix	trans	-72.3	-38.9	173.9	-76.3	167.6	0	0	0	112.7	L543 E544 A545 E549 G550 F573 V576	L543-L547 HydrophobicContact CD1-CD1 3.78Å; L543-L547 HydrophobicContact CD1-CG 3.93Å; L543-L547 HydrophobicContact CG-CD1 3.89Å; L543-L547 HydrophobicContact CG-CG 4.47Å; L543-L547 WeakPolarHBondContact O-CB 3.2Å; L543-L547 VanDerWaalsContact O-CG 3.3Å; L543-L547 WeakPolarHBondContact O-CG 3.41Å; L543-L547 PolarHBondContact O-N 3.23Å; E544-L547 PolarHBondContact O-N 2.03Å; A545-L547 PolarHBondContact O-N 3.25Å; L547-E549 VanDerWaalsContact C-N 3.28Å; L547-E549 PolarHBondContact O-N 3.09Å; L547-G550 PolarHBondContact O-N 2.69Å; L547-G550 VanDerWaalsContact O-N 3.16Å; L547-F573 HydrophobicContact CD1-CD1 3.75Å; L547-F573 HydrophobicContact CD1-CE1 4.19Å; L547-V576 HydrophobicContact CD1-CG2 4.12Å; L547-V576 HydrophobicContact CD2-CG2 3.95Å; L547-V576 HydrophobicContact CG-CG2 4.5Å
548	L	79	Confident	81.6	Confident	150 Å²	150	40.6 Å²	40.6	79%	0.785	23%	0.228	S	C	*	.	H	α-helix	trans	-64.1	-33.8	173	-69.5	168.3	0	0	0	112	E544 A545 G550	E544-L548 WeakPolarHBondContact O-CG 3.46Å; E544-L548 PolarHBondContact O-N 2.03Å; E544-L548 VanDerWaalsContact O-N 3.13Å; A545-L548 PolarHBondContact O-N 3.26Å; A545-L548 VanDerWaalsContact O-N 3.12Å; L548-G550 VanDerWaalsContact C-N 3.29Å; L548-G550 PolarHBondContact O-N 3.36Å
549	E	76.9	Confident	81.7	Confident	122 Å²	122	41.6 Å²	41.6	57%	0.57	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-0.1	174.7	-66.8	-176.6	-159.8	0	0	114.3	A545 L547 K551	A545-E549 PolarHBondContact O-N 3.26Å; L547-E549 VanDerWaalsContact C-N 3.28Å; L547-E549 PolarHBondContact O-N 3.09Å; E549-K551 HydrophobicContact CB-CD 4.03Å; E549-K551 HydrophobicContact CB-CG 4.17Å; E549-K551 PolarHBondContact O-N 3.23Å; E549-K551 WeakPolarHBondContact OE2-CD 3.31Å; E549-K551 VanDerWaalsContact OE2-CE 3.31Å; E549-K551 WeakPolarHBondContact OE2-CE 3.48Å; E549-K551 IonicContact OE2-NZ 2.89Å; E549-K551 PolarHBondContact OE2-NZ 3.16Å
550	G	66.5	Low	81.6	Confident	63 Å²	63	41.8 Å²	41.8	65%	0.649	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	71	8.2	-176.6	0	0	0	0	0	115.2	A546 L547 L548 G552	A546-G550 PolarHBondContact O-N 3.12Å; L547-G550 PolarHBondContact O-N 2.69Å; L547-G550 VanDerWaalsContact O-N 3.16Å; L548-G550 VanDerWaalsContact C-N 3.29Å; L548-G550 PolarHBondContact O-N 3.36Å; G550-G552 VanDerWaalsContact C-N 3.33Å; G550-G552 PolarHBondContact O-N 3.38Å
551	K	66.3	Low	81.3	Confident	99 Å²	99	46.4 Å²	46.4	43%	0.43	25%	0.253	S	S	.	.			trans	-91	16.1	-176.6	-64	172.4	-171.3	165.4	0	113.6	A546 E549 K553 D554	A546-K551 CarbonylContact O-C 3.51Å; A546-K551 WeakPolarHBondContact O-CA 3.44Å; A546-K551 PolarHBondContact O-N 2.85Å; E549-K551 HydrophobicContact CB-CD 4.03Å; E549-K551 HydrophobicContact CB-CG 4.17Å; E549-K551 PolarHBondContact O-N 3.23Å; E549-K551 WeakPolarHBondContact OE2-CD 3.31Å; E549-K551 VanDerWaalsContact OE2-CE 3.31Å; E549-K551 WeakPolarHBondContact OE2-CE 3.48Å; E549-K551 IonicContact OE2-NZ 2.89Å; E549-K551 PolarHBondContact OE2-NZ 3.16Å; K551-K553 PolarHBondContact O-N 3.21Å; K551-D554 PolarHBondContact O-N 2.99Å
552	G	64.8	Low	80.8	Confident	9 Å²	9	48.6 Å²	48.6	9%	0.093	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-63.3	6.9	-179	0	0	0	0	0	116.9	A546 G550	A546-G552 PolarHBondContact O-N 3.46Å; G550-G552 VanDerWaalsContact C-N 3.33Å; G550-G552 PolarHBondContact O-N 3.38Å
553	K	69.8	Low	80.4	Confident	162 Å²	162	50.2 Å²	50.2	70%	0.704	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-78.2	-19.1	176.2	-65.1	-176.3	179.2	-179.7	0	113.4	K455 K551 V555	K455-K553 PolarHBondContact NZ-O 2.9Å; K551-K553 PolarHBondContact O-N 3.21Å; K553-V555 PolarHBondContact O-N 3.01Å
554	D	80.4	Confident	80.1	Confident	54 Å²	54	50.4 Å²	50.4	29%	0.289	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-86.9	6.7	-174.9	-55.7	-12.3	0	0	0	111.9	K455 M456 K551	K455-D554 WeakPolarHBondContact CA-O 3.33Å; M456-D554 PolarHBondContact N-O 2.84Å; K551-D554 PolarHBondContact O-N 2.99Å
555	V	86.6	Confident	79.9	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	143.7	-176.1	-166.1	0	0	0	0	110.6	W446 M456 I458 L543 K553 V576 P577	W446-V555 HydrophobicContact CH2-CG2 3.43Å; W446-V555 VanDerWaalsContact CH2-CG2 3.43Å; W446-V555 HydrophobicContact CZ3-CG2 3.69Å; M456-V555 HydrophobicContact CB-CG1 4.41Å; M456-V555 HydrophobicContact CE-CG1 4.26Å; M456-V555 CarbonylContact O-C 3.58Å; M456-V555 VanDerWaalsContact O-CA 3.31Å; M456-V555 WeakPolarHBondContact O-CA 3.07Å; M456-V555 WeakPolarHBondContact O-CG1 3.03Å; I458-V555 HydrophobicContact CD1-CG1 4.02Å; I458-V555 HydrophobicContact CG1-CG1 4.2Å; L543-V555 HydrophobicContact CD1-CB 4.16Å; L543-V555 HydrophobicContact CD1-CG1 4.15Å; L543-V555 HydrophobicContact CD1-CG2 4.03Å; K553-V555 PolarHBondContact O-N 3.01Å; V555-V576 HydrophobicContact CB-CG1 4.33Å; V555-V576 HydrophobicContact CG1-CG1 4.4Å; V555-V576 WeakPolarHBondContact O-CG1 3.36Å; V555-P577 WeakPolarHBondContact O-CD 3.48Å
556	A	88.6	Confident	79.7	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.008	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	154.5	163.5	0	0	0	0	0	111.1	M456 L457 I458 P577 F579	M456-A556 PolarHBondContact O-N 2.88Å; L457-A556 WeakPolarHBondContact CA-O 3.49Å; L457-A556 HydrophobicContact CD2-CB 3.86Å; I458-A556 PolarHBondContact N-O 3.08Å; A556-P577 HydrophobicContact CB-CB 4.05Å; A556-F579 HydrophobicContact CB-CD2 4.11Å; A556-F579 HydrophobicContact CB-CE2 3.84Å
557	I	90.6	Very high	79.4	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.8	176.8	-58.8	176.2	0	0	0	109.1	I458 W460 I569 F573 V576 P577 R578 F579	I458-I557 WeakPolarHBondContact O-CA 3.47Å; W460-I557 HydrophobicContact CB-CG2 3.77Å; W460-I557 HydrophobicContact CD2-CG2 4.5Å; W460-I557 HydrophobicContact CE3-CG2 4.28Å; W460-I557 HydrophobicContact CG-CG2 4.32Å; I557-I569 HydrophobicContact CD1-CG2 3.85Å; I557-I569 HydrophobicContact CG2-CD1 3.78Å; I557-I569 HydrophobicContact CG2-CG1 4.21Å; I557-I569 HydrophobicContact CG2-CG2 4.48Å; I557-F573 HydrophobicContact CD1-CB 3.71Å; I557-F573 HydrophobicContact CD1-CD2 4.11Å; I557-F573 HydrophobicContact CD1-CG 4.05Å; I557-V576 HydrophobicContact CD1-CB 4.3Å; I557-V576 HydrophobicContact CD1-CG1 4.22Å; I557-V576 HydrophobicContact CG1-CG1 3.93Å; I557-P577 PolarHBondContact N-O 3.4Å; I557-R578 CarbonylContact O-C 3.56Å; I557-R578 VanDerWaalsContact O-CA 3.26Å; I557-R578 WeakPolarHBondContact O-CA 3.32Å; I557-F579 PolarHBondContact O-N 3.44Å
558	V	91.4	Very high	79.3	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	141.7	179.5	-179.4	0	0	0	0	108.6	L402 L457 I458 V459 W460 F579 L581 L588	L402-V558 HydrophobicContact CD2-CG1 4.11Å; L457-V558 HydrophobicContact CB-CG2 4.16Å; L457-V558 HydrophobicContact CD1-CG2 4.37Å; L457-V558 HydrophobicContact CD2-CG2 4.09Å; L457-V558 HydrophobicContact CG-CG2 4.43Å; I458-V558 PolarHBondContact O-N 2.77Å; V459-V558 CarbonylContact C-O 3.55Å; V459-V558 WeakPolarHBondContact CA-O 3.45Å; V459-V558 HydrophobicContact CG2-CB 4.48Å; W460-V558 PolarHBondContact N-O 2.86Å; V558-F579 WeakPolarHBondContact CA-O 3.49Å; V558-L581 HydrophobicContact CG1-CD1 3.43Å; V558-L581 VanDerWaalsContact CG1-CD1 3.43Å; V558-L581 HydrophobicContact CG1-CG 3.73Å; V558-L588 HydrophobicContact CG2-CD1 4.23Å; V558-L588 HydrophobicContact CG2-CD2 4.29Å
559	Y	90.2	Very high	79.5	Confident	27 Å²	27	56.9 Å²	56.9	11%	0.106	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	143.4	173.8	65.6	-76.1	0	0	0	111.3	I569 F579 C580 L581	Y559-I569 HydrophobicContact CD1-CD1 3.91Å; Y559-I569 HydrophobicContact CE1-CD1 4.22Å; Y559-I569 HydrophobicContact CG-CD1 4.46Å; Y559-F579 WeakPolarHBondContact CD1-O 3.46Å; Y559-F579 PolarHBondContact N-O 3.38Å; Y559-C580 HydrophobicContact CE1-CB 4.01Å; Y559-C580 HydrophobicContact CE2-CB 3.95Å; Y559-C580 CarbonylContact O-C 3.56Å; Y559-C580 WeakPolarHBondContact O-CA 3.18Å; Y559-C580 WeakPolarHBondContact OH-CB 3.05Å; Y559-L581 PolarHBondContact O-N 3.19Å
560	F	86.5	Confident	79.8	Confident	3 Å²	3	52 Å²	52	1%	0.013	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.4	-177.3	-66	-70.6	0	0	0	111.8	A398 V399 L402 V459 G562 L563 C564 L581 L629	A398-F560 VanDerWaalsContact C-CZ 3.48Å; A398-F560 HydrophobicContact CB-CD1 4.32Å; A398-F560 HydrophobicContact CB-CD2 3.5Å; A398-F560 VanDerWaalsContact CB-CD2 3.5Å; A398-F560 HydrophobicContact CB-CE1 4.25Å; A398-F560 HydrophobicContact CB-CE2 3.38Å; A398-F560 HydrophobicContact CB-CG 3.98Å; A398-F560 HydrophobicContact CB-CZ 3.8Å; A398-F560 WeakPolarHBondContact O-CZ 3.16Å; V399-F560 HydrophobicContact CG2-CE2 4.41Å; L402-F560 HydrophobicContact CB-CZ 4.04Å; L402-F560 HydrophobicContact CD2-CZ 4.13Å; V459-F560 HydrophobicContact CG1-CD2 3.95Å; V459-F560 HydrophobicContact CG1-CE2 3.62Å; F560-G562 PolarHBondContact O-N 3.43Å; F560-L563 HydrophobicContact CB-CB 4.23Å; F560-L563 HydrophobicContact CB-CD1 3.99Å; F560-L563 HydrophobicContact CB-CG 4.37Å; F560-L563 HydrophobicContact CD2-CD1 4.42Å; F560-L563 PolarHBondContact O-N 3.15Å; F560-L563 VanDerWaalsContact O-N 3.09Å; F560-C564 PolarHBondContact O-N 2.96Å; F560-C564 VanDerWaalsContact O-N 3.08Å; F560-L581 HydrophobicContact CD1-CB 3.78Å; F560-L581 HydrophobicContact CE1-CB 3.93Å; F560-L581 HydrophobicContact CE1-CD1 3.95Å; F560-L629 HydrophobicContact CD1-CD1 3.89Å; F560-L629 HydrophobicContact CD1-CD2 4.2Å; F560-L629 HydrophobicContact CE1-CD1 4.05Å; F560-L629 HydrophobicContact CE1-CD2 4.07Å
561	Q	82.4	Confident	80.4	Confident	97 Å²	97	56 Å²	56	45%	0.453	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	128.6	175.4	-172.9	174.1	30.3	0	0	110.4	L563 L581 Q583	Q561-L563 VanDerWaalsContact C-N 3.32Å; Q561-L563 PolarHBondContact O-N 3.22Å; Q561-L581 WeakPolarHBondContact CB-O 3.47Å; Q561-L581 PolarHBondContact N-O 2.83Å; Q561-Q583 VanDerWaalsContact NE2-NE2 3.1Å; Q561-Q583 VanDerWaalsContact OE1-CD 3.3Å; Q561-Q583 VanDerWaalsContact OE1-CG 3.31Å
562	G	75.1	Confident	80.9	Confident	68 Å²	68	54.2 Å²	54.2	70%	0.701	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.6	-20.6	-176.6	0	0	0	0	0	114.8	F560	F560-G562 PolarHBondContact O-N 3.43Å
563	L	77.5	Confident	81.8	Confident	48 Å²	48	54 Å²	54	25%	0.251	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-32	171.4	-65.8	178.9	0	0	0	112.9	A394 A398 P462 F560 Q561 L633	A394-L563 HydrophobicContact CB-CD2 4.23Å; A398-L563 HydrophobicContact CB-CD1 4.09Å; P462-L563 VanDerWaalsContact CD-O 3.25Å; P462-L563 WeakPolarHBondContact CD-O 3.43Å; P462-L563 WeakPolarHBondContact CG-O 3.44Å; F560-L563 HydrophobicContact CB-CB 4.23Å; F560-L563 HydrophobicContact CB-CD1 3.99Å; F560-L563 HydrophobicContact CB-CG 4.37Å; F560-L563 HydrophobicContact CD2-CD1 4.42Å; F560-L563 PolarHBondContact O-N 3.15Å; F560-L563 VanDerWaalsContact O-N 3.09Å; Q561-L563 VanDerWaalsContact C-N 3.32Å; Q561-L563 PolarHBondContact O-N 3.22Å; L563-L633 HydrophobicContact CD1-CD1 4.12Å; L563-L633 HydrophobicContact CD1-CD2 3.77Å; L563-L633 HydrophobicContact CD2-CD2 4.23Å; L563-L633 HydrophobicContact CG-CD1 4.34Å; L563-L633 HydrophobicContact CG-CD2 4.34Å
564	C	79.4	Confident	82	Confident	4 Å²	4	53.6 Å²	53.6	3%	0.027	28%	0.279	C	S	.	.			trans	-147.6	153.1	-177.1	-168.3	0	0	0	0	111.4	F560	F560-C564 PolarHBondContact O-N 2.96Å; F560-C564 VanDerWaalsContact O-N 3.08Å
565	H	80.4	Confident	81.6	Confident	126 Å²	126	54.1 Å²	54.1	58%	0.583	30%	0.297	S	S	*	.			trans	-110.7	155.7	173.4	-62.8	85.7	0	0	0	111.6	R567 D568	H565-R567 PolarHBondContact O-N 2.85Å; H565-R567 VanDerWaalsContact O-N 3.08Å; H565-D568 WeakPolarHBondContact CB-OD2 3.35Å; H565-D568 PolarHBondContact N-OD2 2.74Å; H565-D568 WeakPolarHBondContact O-CB 3.44Å; H565-D568 PolarHBondContact O-N 2.84Å
566	S	78.1	Confident	81.5	Confident	61 Å²	61	54.4 Å²	54.4	43%	0.427	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-59.3	-20.9	174.2	57.8	0	0	0	0	114	D568	S566-D568 PolarHBondContact O-N 3.29Å
567	R	75.8	Confident	81.4	Confident	220 Å²	220	56.2 Å²	56.2	83%	0.83	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-73.4	-10.4	173.9	-60.4	-177.4	-178.7	-174.9	0.3	113.8	H565	H565-R567 PolarHBondContact O-N 2.85Å; H565-R567 VanDerWaalsContact O-N 3.08Å
568	D	78.8	Confident	81.3	Confident	25 Å²	25	59.7 Å²	59.7	13%	0.134	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-92.1	-11.9	178.1	-58.5	-49.5	0	0	0	112.8	W460 K465 H565 S566 P570	W460-D568 PolarHBondContact NE1-O 2.63Å; K465-D568 HydrophobicContact CD-CB 3.99Å; K465-D568 WeakPolarHBondContact CG-O 3.45Å; K465-D568 IonicContact NZ-OD1 2.67Å; K465-D568 PolarHBondContact NZ-OD1 3.36Å; H565-D568 WeakPolarHBondContact CB-OD2 3.35Å; H565-D568 PolarHBondContact N-OD2 2.74Å; H565-D568 WeakPolarHBondContact O-CB 3.44Å; H565-D568 PolarHBondContact O-N 2.84Å; S566-D568 PolarHBondContact O-N 3.29Å; D568-P570 WeakPolarHBondContact O-CD 3.41Å
569	I	84.3	Confident	81.2	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.021	33%	0.328	C	S	.	.	S	Bend	trans	-85.1	119.5	175.2	-56.9	168.3	0	0	0	109.4	W460 I557 Y559 F573	W460-I569 HydrophobicContact CB-CG1 4.31Å; W460-I569 HydrophobicContact CD2-CG1 4.29Å; W460-I569 HydrophobicContact CG-CG1 3.83Å; I557-I569 HydrophobicContact CD1-CG2 3.85Å; I557-I569 HydrophobicContact CG2-CD1 3.78Å; I557-I569 HydrophobicContact CG2-CG1 4.21Å; I557-I569 HydrophobicContact CG2-CG2 4.48Å; Y559-I569 HydrophobicContact CD1-CD1 3.91Å; Y559-I569 HydrophobicContact CE1-CD1 4.22Å; Y559-I569 HydrophobicContact CG-CD1 4.46Å; I569-F573 HydrophobicContact CG2-CB 4.36Å; I569-F573 HydrophobicContact CG2-CD2 4.36Å
570	P	83.1	Confident	81.1	Confident	21 Å²	21	60 Å²	60	14%	0.136	33%	0.326	C	S	.	.			trans	-52	148.4	-179.3	-29.8	34.8	0	0	0	115.1	W460 Y468 D568 A572 F573 R578	W460-P570 HydrophobicContact CH2-CG 4.17Å; W460-P570 HydrophobicContact CZ2-CG 3.87Å; Y468-P570 HydrophobicContact CD1-CB 4.08Å; Y468-P570 HydrophobicContact CD1-CG 3.37Å; Y468-P570 HydrophobicContact CD2-CG 4.32Å; Y468-P570 HydrophobicContact CE1-CB 3.65Å; Y468-P570 HydrophobicContact CE1-CG 3.49Å; Y468-P570 VanDerWaalsContact CE1-CG 3.49Å; Y468-P570 HydrophobicContact CE2-CG 4.41Å; Y468-P570 HydrophobicContact CG-CG 3.82Å; D568-P570 WeakPolarHBondContact O-CD 3.41Å; P570-A572 PolarHBondContact O-N 2.62Å; P570-F573 HydrophobicContact CB-CD2 4Å; P570-F573 HydrophobicContact CB-CE2 4.09Å; P570-F573 HydrophobicContact CG-CD2 4.1Å; P570-F573 HydrophobicContact CG-CE2 3.91Å; P570-F573 PolarHBondContact O-N 3.03Å; P570-F573 VanDerWaalsContact O-N 3.17Å; P570-R578 PolarHBondContact O-NH2 2.94Å
571	H	78.1	Confident	81.1	Confident	147 Å²	147	59.8 Å²	59.8	68%	0.681	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-66.8	-17.5	175.3	-67	-23.5	0	0	0	113.9	F573 K574	H571-F573 PolarHBondContact O-N 2.8Å; H571-K574 HydrophobicContact CB-CD 4.46Å; H571-K574 WeakPolarHBondContact O-CB 3.4Å; H571-K574 VanDerWaalsContact O-CG 3.25Å; H571-K574 WeakPolarHBondContact O-CG 3.45Å; H571-K574 PolarHBondContact O-N 2.94Å
572	A	78	Confident	80.9	Confident	61 Å²	61	56.4 Å²	56.4	50%	0.504	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-58.8	-34.7	170.9	0	0	0	0	0	112	Y468 P570 K574	Y468-A572 WeakPolarHBondContact OH-CB 3.36Å; P570-A572 PolarHBondContact O-N 2.62Å; A572-K574 VanDerWaalsContact C-N 3.26Å; A572-K574 PolarHBondContact O-N 2.03Å
573	F	81.8	Confident	81.2	Confident	3 Å²	3	59.1 Å²	59.1	1%	0.013	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-90.6	30.5	-178.9	-49.3	-48.3	0	0	0	112.9	W460 Y468 L540 L543 L547 I557 I569 P570 H571 G575 V576 R578	W460-F573 HydrophobicContact CH2-CD2 4.31Å; W460-F573 AromaticContact CH2-CE2 3.72Å; W460-F573 HydrophobicContact CH2-CE2 3.72Å; W460-F573 HydrophobicContact CZ3-CD2 4.34Å; W460-F573 AromaticContact CZ3-CE2 3.94Å; W460-F573 HydrophobicContact CZ3-CE2 3.94Å; Y468-F573 AromaticContact CD2-CE2 3.99Å; Y468-F573 HydrophobicContact CD2-CE2 3.99Å; Y468-F573 AromaticContact CD2-CZ 3.92Å; Y468-F573 HydrophobicContact CD2-CZ 3.92Å; Y468-F573 AromaticContact CE2-CE2 3.83Å; Y468-F573 HydrophobicContact CE2-CE2 3.83Å; Y468-F573 AromaticContact CE2-CZ 3.51Å; Y468-F573 HydrophobicContact CE2-CZ 3.51Å; L540-F573 HydrophobicContact CD2-CE2 4.2Å; L540-F573 HydrophobicContact CD2-CZ 3.93Å; L543-F573 HydrophobicContact CD2-CD1 3.61Å; L543-F573 HydrophobicContact CD2-CE1 3.52Å; L543-F573 HydrophobicContact CD2-CG 4.22Å; L543-F573 HydrophobicContact CD2-CZ 4.06Å; L543-F573 HydrophobicContact CG-CD1 4.14Å; L543-F573 HydrophobicContact CG-CE1 3.92Å; L547-F573 HydrophobicContact CD1-CD1 3.75Å; L547-F573 HydrophobicContact CD1-CE1 4.19Å; I557-F573 HydrophobicContact CD1-CB 3.71Å; I557-F573 HydrophobicContact CD1-CD2 4.11Å; I557-F573 HydrophobicContact CD1-CG 4.05Å; I569-F573 HydrophobicContact CG2-CB 4.36Å; I569-F573 HydrophobicContact CG2-CD2 4.36Å; P570-F573 HydrophobicContact CB-CD2 4Å; P570-F573 HydrophobicContact CB-CE2 4.09Å; P570-F573 HydrophobicContact CG-CD2 4.1Å; P570-F573 HydrophobicContact CG-CE2 3.91Å; P570-F573 PolarHBondContact O-N 3.03Å; P570-F573 VanDerWaalsContact O-N 3.17Å; H571-F573 PolarHBondContact O-N 2.8Å; F573-G575 VanDerWaalsContact C-N 3.25Å; F573-G575 PolarHBondContact O-N 2.69Å; F573-V576 HydrophobicContact CB-CB 4.48Å; F573-V576 HydrophobicContact CB-CG2 4.11Å; F573-V576 PolarHBondContact O-N 3.13Å; F573-R578 PolarHBondContact O-NH2 2.88Å
574	K	75.4	Confident	81.5	Confident	155 Å²	155	60.9 Å²	60.9	67%	0.674	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-65	-26.6	178.3	-90.8	175.5	178.4	-177.7	0	113.3	H571 A572	H571-K574 HydrophobicContact CB-CD 4.46Å; H571-K574 WeakPolarHBondContact O-CB 3.4Å; H571-K574 VanDerWaalsContact O-CG 3.25Å; H571-K574 WeakPolarHBondContact O-CG 3.45Å; H571-K574 PolarHBondContact O-N 2.94Å; A572-K574 VanDerWaalsContact C-N 3.26Å; A572-K574 PolarHBondContact O-N 2.03Å
575	G	72.1	Confident	81.6	Confident	65 Å²	65	60.7 Å²	60.7	67%	0.67	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-88.7	4	178.1	0	0	0	0	0	115.6	F573	F573-G575 VanDerWaalsContact C-N 3.25Å; F573-G575 PolarHBondContact O-N 2.69Å
576	V	84.6	Confident	81.4	Confident	6 Å²	6	57.6 Å²	57.6	4%	0.036	30%	0.304	C	S	.	.	S	Bend	trans	-102.5	133.4	-178.4	-171.8	0	0	0	0	109.4	L543 L547 V555 I557 F573 R578	L543-V576 HydrophobicContact CD1-CG2 4.06Å; L547-V576 HydrophobicContact CD1-CG2 4.12Å; L547-V576 HydrophobicContact CD2-CG2 3.95Å; L547-V576 HydrophobicContact CG-CG2 4.5Å; V555-V576 HydrophobicContact CB-CG1 4.33Å; V555-V576 HydrophobicContact CG1-CG1 4.4Å; V555-V576 WeakPolarHBondContact O-CG1 3.36Å; I557-V576 HydrophobicContact CD1-CB 4.3Å; I557-V576 HydrophobicContact CD1-CG1 4.22Å; I557-V576 HydrophobicContact CG1-CG1 3.93Å; F573-V576 HydrophobicContact CB-CB 4.48Å; F573-V576 HydrophobicContact CB-CG2 4.11Å; F573-V576 PolarHBondContact O-N 3.13Å; V576-R578 WeakPolarHBondContact O-CG 3.44Å
577	P	86.1	Confident	81.5	Confident	40 Å²	40	56 Å²	56	26%	0.26	30%	0.297	S	S	.	.			trans	-52.2	146.9	172.2	-27.5	34.8	0	0	0	113.3	V555 A556 I557 F579	V555-P577 WeakPolarHBondContact O-CD 3.48Å; A556-P577 HydrophobicContact CB-CB 4.05Å; I557-P577 PolarHBondContact N-O 3.4Å; P577-F579 HydrophobicContact CB-CE2 4Å; P577-F579 HydrophobicContact CB-CZ 4.29Å
578	R	88.8	Confident	81.9	Confident	73 Å²	73	45.5 Å²	45.5	28%	0.275	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	135.7	-174.3	-54.6	-179	-178.9	-152.1	-9.5	110.4	I557 P570 F573 V576	I557-R578 CarbonylContact O-C 3.56Å; I557-R578 VanDerWaalsContact O-CA 3.26Å; I557-R578 WeakPolarHBondContact O-CA 3.32Å; P570-R578 PolarHBondContact O-NH2 2.94Å; F573-R578 PolarHBondContact O-NH2 2.88Å; V576-R578 WeakPolarHBondContact O-CG 3.44Å
579	F	88.5	Confident	82	Confident	23 Å²	23	44.5 Å²	44.5	10%	0.101	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	119	-179.4	-57.8	-75.1	0	0	0	112.4	A556 I557 V558 Y559 P577 E584 G587 L588 E591	A556-F579 HydrophobicContact CB-CD2 4.11Å; A556-F579 HydrophobicContact CB-CE2 3.84Å; I557-F579 PolarHBondContact O-N 3.44Å; V558-F579 WeakPolarHBondContact CA-O 3.49Å; Y559-F579 WeakPolarHBondContact CD1-O 3.46Å; Y559-F579 PolarHBondContact N-O 3.38Å; P577-F579 HydrophobicContact CB-CE2 4Å; P577-F579 HydrophobicContact CB-CZ 4.29Å; F579-E584 WeakPolarHBondContact CA-OE2 3.03Å; F579-E584 HydrophobicContact CD1-CB 4.42Å; F579-G587 VanDerWaalsContact CE1-C 3.46Å; F579-L588 HydrophobicContact CB-CB 4.25Å; F579-L588 HydrophobicContact CD1-CB 4.14Å; F579-L588 HydrophobicContact CD2-CB 4.26Å; F579-L588 HydrophobicContact CD2-CD1 3.69Å; F579-L588 HydrophobicContact CE2-CD1 4.03Å; F579-L588 HydrophobicContact CG-CB 3.95Å; F579-L588 HydrophobicContact CG-CD1 4.21Å; F579-E591 HydrophobicContact CE2-CB 4.19Å; F579-E591 HydrophobicContact CE2-CG 4.1Å; F579-E591 HydrophobicContact CZ-CB 3.73Å; F579-E591 HydrophobicContact CZ-CG 3.95Å
580	C	88.1	Confident	81.6	Confident	9 Å²	9	51.9 Å²	51.9	6%	0.061	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	107	173.6	-172.4	0	0	0	0	110.4	Y559 Q583 E584	Y559-C580 HydrophobicContact CE1-CB 4.01Å; Y559-C580 HydrophobicContact CE2-CB 3.95Å; Y559-C580 CarbonylContact O-C 3.56Å; Y559-C580 WeakPolarHBondContact O-CA 3.18Å; Y559-C580 WeakPolarHBondContact OH-CB 3.05Å; C580-Q583 PolarHBondContact O-N 2.65Å; C580-Q583 VanDerWaalsContact O-N 3.09Å; C580-E584 HydrophobicContact CB-CG 4.15Å; C580-E584 WeakPolarHBondContact CB-OE2 2.99Å; C580-E584 PolarHBondContact N-OE2 2.9Å; C580-E584 PolarHBondContact O-N 3.34Å
581	L	86.8	Confident	81.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	140.6	179.2	-61.5	-170.4	0	0	0	111.8	L402 V558 Y559 F560 Q561 F585 L588 L625	L402-L581 HydrophobicContact CD1-CD1 3.75Å; L402-L581 HydrophobicContact CD2-CD1 3.76Å; L402-L581 HydrophobicContact CG-CD1 4.35Å; V558-L581 HydrophobicContact CG1-CD1 3.43Å; V558-L581 VanDerWaalsContact CG1-CD1 3.43Å; V558-L581 HydrophobicContact CG1-CG 3.73Å; Y559-L581 PolarHBondContact O-N 3.19Å; F560-L581 HydrophobicContact CD1-CB 3.78Å; F560-L581 HydrophobicContact CE1-CB 3.93Å; F560-L581 HydrophobicContact CE1-CD1 3.95Å; Q561-L581 WeakPolarHBondContact CB-O 3.47Å; Q561-L581 PolarHBondContact N-O 2.83Å; L581-F585 HydrophobicContact CD1-CD2 4.41Å; L581-F585 HydrophobicContact CD2-CB 3.85Å; L581-F585 HydrophobicContact CD2-CD2 3.89Å; L581-F585 HydrophobicContact CD2-CG 4.39Å; L581-L588 HydrophobicContact CD1-CD2 3.96Å; L581-L588 HydrophobicContact CD2-CD2 4.07Å; L581-L625 HydrophobicContact CB-CD2 4.4Å; L581-L625 HydrophobicContact CD1-CD2 4.23Å
582	P	78.4	Confident	81.4	Confident	26 Å²	26	47.8 Å²	47.8	17%	0.169	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	cis	-87.7	-3.8	6.8	34.6	-36	0	0	0	115.2	E584 F585 L625 T626	P582-E584 PolarHBondContact O-N 3.01Å; P582-F585 WeakPolarHBondContact O-CB 3.33Å; P582-F585 PolarHBondContact O-N 2.84Å; P582-L625 HydrophobicContact CB-CD2 4.22Å; P582-L625 HydrophobicContact CB-CG 4.47Å; P582-T626 WeakPolarHBondContact CB-OG1 3.48Å; P582-T626 WeakPolarHBondContact CG-OG1 3.31Å
583	Q	80.9	Confident	81	Confident	125 Å²	125	45.6 Å²	45.6	58%	0.584	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-42.6	-168.5	-60.2	-168.9	-41.2	0	0	114.4	Q561 C580	Q561-Q583 VanDerWaalsContact NE2-NE2 3.1Å; Q561-Q583 VanDerWaalsContact OE1-CD 3.3Å; Q561-Q583 VanDerWaalsContact OE1-CG 3.31Å; C580-Q583 PolarHBondContact O-N 2.65Å; C580-Q583 VanDerWaalsContact O-N 3.09Å
584	E	84.2	Confident	79.9	Confident	85 Å²	85	51.6 Å²	51.6	40%	0.397	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	17.3	-175	-61.2	176.9	154.7	0	0	112	F579 C580 P582 S586 G587 L588	F579-E584 WeakPolarHBondContact CA-OE2 3.03Å; F579-E584 HydrophobicContact CD1-CB 4.42Å; C580-E584 HydrophobicContact CB-CG 4.15Å; C580-E584 WeakPolarHBondContact CB-OE2 2.99Å; C580-E584 PolarHBondContact N-OE2 2.9Å; C580-E584 PolarHBondContact O-N 3.34Å; P582-E584 PolarHBondContact O-N 3.01Å; E584-S586 VanDerWaalsContact C-N 3.27Å; E584-S586 PolarHBondContact O-N 3.24Å; E584-G587 WeakPolarHBondContact O-CA 3.4Å; E584-G587 PolarHBondContact O-N 2.76Å; E584-L588 PolarHBondContact O-N 2.93Å
585	F	81.7	Confident	78.6	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.8	-37	-178.3	-173.4	-102.9	0	0	0	112.8	L402 I405 L410 L581 P582 G587 L588 I589 L621 A622 L625	L402-F585 HydrophobicContact CD1-CE2 3.91Å; I405-F585 HydrophobicContact CG2-CZ 4.06Å; L410-F585 HydrophobicContact CD1-CZ 4.31Å; L581-F585 HydrophobicContact CD1-CD2 4.41Å; L581-F585 HydrophobicContact CD2-CB 3.85Å; L581-F585 HydrophobicContact CD2-CD2 3.89Å; L581-F585 HydrophobicContact CD2-CG 4.39Å; P582-F585 WeakPolarHBondContact O-CB 3.33Å; P582-F585 PolarHBondContact O-N 2.84Å; F585-G587 VanDerWaalsContact C-N 3.27Å; F585-G587 PolarHBondContact O-N 3.22Å; F585-L588 HydrophobicContact CD2-CD2 4.45Å; F585-L588 PolarHBondContact O-N 2.99Å; F585-I589 HydrophobicContact CD1-CG1 3.95Å; F585-I589 HydrophobicContact CE1-CD1 3.98Å; F585-I589 HydrophobicContact CE1-CG1 3.52Å; F585-I589 HydrophobicContact CE2-CD1 4.03Å; F585-I589 HydrophobicContact CE2-CG1 4.3Å; F585-I589 HydrophobicContact CZ-CD1 3.63Å; F585-I589 HydrophobicContact CZ-CG1 3.74Å; F585-I589 WeakPolarHBondContact O-CG1 3.43Å; F585-I589 PolarHBondContact O-N 2.88Å; F585-L621 HydrophobicContact CD1-CB 4.33Å; F585-L621 HydrophobicContact CE1-CB 3.64Å; F585-L621 HydrophobicContact CE1-CD1 4.47Å; F585-A622 HydrophobicContact CB-CB 4.15Å; F585-A622 HydrophobicContact CD1-CB 4.18Å; F585-L625 HydrophobicContact CD2-CD2 3.48Å; F585-L625 VanDerWaalsContact CD2-CD2 3.48Å; F585-L625 HydrophobicContact CE2-CD2 3.85Å; F585-L625 HydrophobicContact CG-CD2 4.07Å
586	S	76.7	Confident	76.9	Confident	60 Å²	60	57.2 Å²	57.2	42%	0.42	29%	0.286	S	S	.	.	H	α-helix	trans	-63.1	-32.1	174.3	52.8	0	0	0	0	113.2	E584 Q590	E584-S586 VanDerWaalsContact C-N 3.27Å; E584-S586 PolarHBondContact O-N 3.24Å; S586-Q590 WeakPolarHBondContact O-CB 3.43Å; S586-Q590 PolarHBondContact O-N 2.96Å; S586-Q590 VanDerWaalsContact O-N 3.09Å
587	G	79.1	Confident	74.7	Confident	27 Å²	27	65.5 Å²	65.5	28%	0.278	32%	0.324	S	S	.	.	H	α-helix	trans	-71.7	-41.9	172.3	0	0	0	0	0	112.2	F579 E584 F585 Q590 E591	F579-G587 VanDerWaalsContact CE1-C 3.46Å; E584-G587 WeakPolarHBondContact O-CA 3.4Å; E584-G587 PolarHBondContact O-N 2.76Å; F585-G587 VanDerWaalsContact C-N 3.27Å; F585-G587 PolarHBondContact O-N 3.22Å; G587-Q590 PolarHBondContact O-N 2.86Å; G587-E591 PolarHBondContact O-N 2.83Å
588	L	84.3	Confident	72.2	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-60.3	-45.4	174.2	177.7	62.5	0	0	0	111.4	L402 L457 V558 F579 L581 E584 F585 Q590 E591 L592	L402-L588 HydrophobicContact CD1-CD2 4.49Å; L457-L588 HydrophobicContact CD1-CD1 4.21Å; L457-L588 HydrophobicContact CD2-CD1 3.89Å; V558-L588 HydrophobicContact CG2-CD1 4.23Å; V558-L588 HydrophobicContact CG2-CD2 4.29Å; F579-L588 HydrophobicContact CB-CB 4.25Å; F579-L588 HydrophobicContact CD1-CB 4.14Å; F579-L588 HydrophobicContact CD2-CB 4.26Å; F579-L588 HydrophobicContact CD2-CD1 3.69Å; F579-L588 HydrophobicContact CE2-CD1 4.03Å; F579-L588 HydrophobicContact CG-CB 3.95Å; F579-L588 HydrophobicContact CG-CD1 4.21Å; L581-L588 HydrophobicContact CD1-CD2 3.96Å; L581-L588 HydrophobicContact CD2-CD2 4.07Å; E584-L588 PolarHBondContact O-N 2.93Å; F585-L588 HydrophobicContact CD2-CD2 4.45Å; F585-L588 PolarHBondContact O-N 2.99Å; L588-Q590 VanDerWaalsContact C-N 3.31Å; L588-Q590 PolarHBondContact O-N 3.25Å; L588-E591 PolarHBondContact O-N 2.86Å; L588-L592 HydrophobicContact CD1-CD1 4Å; L588-L592 HydrophobicContact CD1-CG 4.28Å; L588-L592 HydrophobicContact CG-CD1 3.98Å; L588-L592 VanDerWaalsContact O-CG 3.31Å; L588-L592 WeakPolarHBondContact O-CG 3.46Å; L588-L592 PolarHBondContact O-N 3.06Å; L588-L592 VanDerWaalsContact O-N 3.09Å
589	I	80.9	Confident	69.4	Low	4 Å²	4	68.5 Å²	68.5	2%	0.021	36%	0.361	C	S	.	.	H	α-helix	trans	-65.9	-33.7	176.2	-60.7	-45.3	0	0	0	111.5	L378 I380 L406 L410 F585 E591 L592 A593	L378-I589 HydrophobicContact CD1-CG2 4.35Å; I380-I589 HydrophobicContact CD1-CD1 4.22Å; L406-I589 HydrophobicContact CD2-CD1 3.89Å; L410-I589 HydrophobicContact CD1-CD1 3.53Å; L410-I589 HydrophobicContact CD1-CG1 4.26Å; F585-I589 HydrophobicContact CD1-CG1 3.95Å; F585-I589 HydrophobicContact CE1-CD1 3.98Å; F585-I589 HydrophobicContact CE1-CG1 3.52Å; F585-I589 HydrophobicContact CE2-CD1 4.03Å; F585-I589 HydrophobicContact CE2-CG1 4.3Å; F585-I589 HydrophobicContact CZ-CD1 3.63Å; F585-I589 HydrophobicContact CZ-CG1 3.74Å; F585-I589 WeakPolarHBondContact O-CG1 3.43Å; F585-I589 PolarHBondContact O-N 2.88Å; I589-E591 VanDerWaalsContact C-N 3.33Å; I589-E591 PolarHBondContact O-N 3.46Å; I589-L592 HydrophobicContact CD1-CD1 4.39Å; I589-L592 PolarHBondContact O-N 3.25Å; I589-A593 HydrophobicContact CG2-CB 4.4Å; I589-A593 WeakPolarHBondContact O-CB 3.24Å; I589-A593 PolarHBondContact O-N 2.93Å
590	Q	76.1	Confident	66.8	Low	159 Å²	159	77.7 Å²	77.7	74%	0.743	40%	0.401	S	S	*	.	H	α-helix	trans	-69.2	-28	174.1	-173.8	174.4	-16.3	0	0	113.4	S586 G587 L588	S586-Q590 WeakPolarHBondContact O-CB 3.43Å; S586-Q590 PolarHBondContact O-N 2.96Å; S586-Q590 VanDerWaalsContact O-N 3.09Å; G587-Q590 PolarHBondContact O-N 2.86Å; L588-Q590 VanDerWaalsContact C-N 3.31Å; L588-Q590 PolarHBondContact O-N 3.25Å
591	E	79.6	Confident	63.9	Low	72 Å²	72	82.7 Å²	82.7	34%	0.336	44%	0.436	S	S	.	.	H	α-helix	trans	-79.9	-22.6	174.8	-176.4	64.4	-154.2	0	0	112.8	K455 F579 G587 L588 I589	K455-E591 IonicContact NZ-OE1 2.92Å; K455-E591 PolarHBondContact NZ-OE1 3.28Å; F579-E591 HydrophobicContact CE2-CB 4.19Å; F579-E591 HydrophobicContact CE2-CG 4.1Å; F579-E591 HydrophobicContact CZ-CB 3.73Å; F579-E591 HydrophobicContact CZ-CG 3.95Å; G587-E591 PolarHBondContact O-N 2.83Å; L588-E591 PolarHBondContact O-N 2.86Å; I589-E591 VanDerWaalsContact C-N 3.33Å; I589-E591 PolarHBondContact O-N 3.46Å
592	L	77.8	Confident	61.5	Low	10 Å²	10	86.2 Å²	86.2	5%	0.052	47%	0.473	C	S	.	.	H	α-helix	trans	-95.2	-33.1	178.5	-66.1	172.6	0	0	0	113.6	I380 V384 L406 K455 L457 L588 I589	I380-L592 HydrophobicContact CD1-CB 3.96Å; I380-L592 HydrophobicContact CD1-CD1 4.23Å; I380-L592 HydrophobicContact CG1-CB 4.43Å; I380-L592 HydrophobicContact CG2-CB 4.23Å; V384-L592 HydrophobicContact CG1-CD2 4.42Å; V384-L592 HydrophobicContact CG2-CD2 3.95Å; L406-L592 HydrophobicContact CD2-CD1 3.95Å; K455-L592 HydrophobicContact CB-CD2 3.95Å; K455-L592 HydrophobicContact CG-CD2 3.98Å; L457-L592 HydrophobicContact CD1-CD1 4.31Å; L457-L592 HydrophobicContact CD2-CD2 4.48Å; L588-L592 HydrophobicContact CD1-CD1 4Å; L588-L592 HydrophobicContact CD1-CG 4.28Å; L588-L592 HydrophobicContact CG-CD1 3.98Å; L588-L592 VanDerWaalsContact O-CG 3.31Å; L588-L592 WeakPolarHBondContact O-CG 3.46Å; L588-L592 PolarHBondContact O-N 3.06Å; L588-L592 VanDerWaalsContact O-N 3.09Å; I589-L592 HydrophobicContact CD1-CD1 4.39Å; I589-L592 PolarHBondContact O-N 3.25Å
593	A	68.5	Low	59.1	Low	16 Å²	16	92.5 Å²	92.5	13%	0.132	50%	0.5	C	S	.	.			trans	-91.4	113.6	-174.7	0	0	0	0	0	112.1	L378 I589 V595	L378-A593 HydrophobicContact CD2-CB 4.41Å; I589-A593 HydrophobicContact CG2-CB 4.4Å; I589-A593 WeakPolarHBondContact O-CB 3.24Å; I589-A593 PolarHBondContact O-N 2.93Å; A593-V595 PolarHBondContact O-N 3.43Å
594	E	58.9	Low	57.2	Low	129 Å²	129	93.9 Å²	93.9	60%	0.603	52%	0.516	S	S	*	.			trans	-74.4	110.6	172.9	-174.2	162.6	-149.5	0	0	110.7	R382 R596	R382-E594 IonicContact CZ-OE1 2.73Å; R382-E594 IonicContact CZ-OE2 2.77Å; R382-E594 IonicContact NE-OE2 3.73Å; R382-E594 PolarHBondContact NE-OE2 3.16Å; R382-E594 IonicContact NH2-OE1 2.78Å; R382-E594 PolarHBondContact NH2-OE1 2.82Å; R382-E594 IonicContact NH2-OE2 3.18Å; R382-E594 PolarHBondContact NH2-OE2 3.24Å; E594-R596 PolarHBondContact O-N 3.24Å
595	V	47.9	Very low	54.9	Low	116 Å²	116	98.8 Å²	98.8	70%	0.703	53%	0.531	S	S	*	.			trans	-68.6	121.2	175.8	179.1	0	0	0	0	109.1	A593 E597	A593-V595 PolarHBondContact O-N 3.43Å; V595-E597 VanDerWaalsContact C-N 3.26Å; V595-E597 HydrophobicContact CG1-CG 4.27Å; V595-E597 PolarHBondContact O-N 3.06Å
596	R	37.3	Very low	52.8	Low	222 Å²	222	108.6 Å²	108.6	84%	0.838	57%	0.568	S	S	*	*			trans	-69.4	71	-179.1	-168.1	-173.8	-178.8	178.4	3.4	112.9	E594 G598	E594-R596 PolarHBondContact O-N 3.24Å; R596-G598 PolarHBondContact O-N 2.99Å
597	E	39.1	Very low	51.2	Low	180 Å²	180	113.1 Å²	113.1	84%	0.841	58%	0.583	S	S	*	*			trans	-74.1	73.5	168.5	-66.1	-156.4	144.1	0	0	110.3	V595	V595-E597 VanDerWaalsContact C-N 3.26Å; V595-E597 HydrophobicContact CG1-CG 4.27Å; V595-E597 PolarHBondContact O-N 3.06Å
598	G	32.9	Very low	49.6	Very low	55 Å²	55	115.8 Å²	115.8	57%	0.567	60%	0.596	S	S	*	*			trans	-150.4	28.8	-161.8	0	0	0	0	0	117.2	R596	R596-G598 PolarHBondContact O-N 2.99Å
599	T	29.7	Very low	47.7	Very low	121 Å²	121	122.6 Å²	122.6	74%	0.742	62%	0.622	S	S	*	*			trans	-140	104.3	168.3	-42.6	0	0	0	0	111.7	S601	T599-S601 PolarHBondContact O-N 3.1Å
600	K	34.7	Very low	46.3	Very low	215 Å²	215	126.1 Å²	126.1	94%	0.935	65%	0.645	S	S	*	*			trans	-83.5	105.7	167.6	-70.6	-178.3	-180	178.1	0	109.9
601	S	26.4	Very low	45.1	Very low	115 Å²	115	127.7 Å²	127.7	80%	0.804	64%	0.644	S	S	*	*			trans	-156.9	145.4	152.2	-165	0	0	0	0	109.4	T599	T599-S601 PolarHBondContact O-N 3.1Å
602	G	37.2	Very low	43.9	Very low	74 Å²	74	129.1 Å²	129.1	76%	0.763	65%	0.654	S	S	*	*			trans	-95.8	115.3	-171.7	0	0	0	0	0	113.2
603	E	28.2	Very low	42.8	Very low	157 Å²	157	133 Å²	133	73%	0.734	67%	0.674	S	S	*	*			trans	-152.5	134.1	156	-127.3	-174.3	-156.6	0	0	110.1	R605	E603-R605 PolarHBondContact O-N 3.31Å; E603-R605 VanDerWaalsContact O-N 3.1Å
604	V	40.7	Very low	42.3	Very low	154 Å²	154	134 Å²	134	93%	0.933	68%	0.68	S	S	*	*			trans	-81.5	93.4	-170.5	180	0	0	0	0	110.7
605	R	35.8	Very low	42.5	Very low	188 Å²	188	134.7 Å²	134.7	71%	0.709	68%	0.681	S	S	*	*			trans	-151.4	88.3	-174.5	-152.3	165.7	170.5	176.7	-4.5	116.2	E603	E603-R605 PolarHBondContact O-N 3.31Å; E603-R605 VanDerWaalsContact O-N 3.1Å
606	W	37.9	Very low	43.3	Very low	206 Å²	206	134 Å²	134	78%	0.78	68%	0.677	S	S	*	*			trans	59.4	55.1	154.9	-64.6	90.2	0	0	0	119.1	C608	W606-C608 PolarHBondContact O-N 2.87Å
607	H	41.4	Very low	44.6	Very low	155 Å²	155	125.7 Å²	125.7	72%	0.718	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	0.5	-179.6	-65.1	-64.6	0	0	0	117.8
608	C	47.3	Very low	45.9	Very low	84 Å²	84	117.7 Å²	117.7	57%	0.568	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-28	-173.4	-60.1	0	0	0	0	114.9	W606	W606-C608 PolarHBondContact O-N 2.87Å
609	W	42.9	Very low	47.8	Very low	142 Å²	142	118.7 Å²	118.7	54%	0.538	61%	0.608	S	S	.	*	H	α-helix	trans	-70.3	-41.1	-167	-68.4	88.8	0	0	0	115.6	F365 R611 L612 L613	F365-W609 HydrophobicContact CE2-CZ3 4.34Å; W609-R611 VanDerWaalsContact C-N 3.29Å; W609-R611 PolarHBondContact O-N 3.29Å; W609-L612 PolarHBondContact O-N 3.12Å; W609-L612 VanDerWaalsContact O-N 3.11Å; W609-L613 WeakPolarHBondContact O-CG 3.32Å; W609-L613 PolarHBondContact O-N 3.25Å
610	P	51.3	Low	50.1	Low	79 Å²	79	118.1 Å²	118.1	51%	0.513	59%	0.592	S	S	.	*	H	α-helix	trans	-59.2	-38.5	179	-25.3	35.2	0	0	0	113.2	L612 L613 S614	P610-L612 VanDerWaalsContact C-N 3.29Å; P610-L612 PolarHBondContact O-N 3Å; P610-L613 PolarHBondContact O-N 3.05Å; P610-S614 PolarHBondContact O-N 2.82Å; P610-S614 PolarHBondContact O-OG 3.33Å
611	R	52.5	Low	51.9	Low	192 Å²	192	107.9 Å²	107.9	73%	0.725	55%	0.548	S	S	*	.	H	α-helix	trans	-72.5	-17.7	179.2	-67.7	-177.2	173.9	-174.5	-2	114	W609 K615	W609-R611 VanDerWaalsContact C-N 3.29Å; W609-R611 PolarHBondContact O-N 3.29Å; R611-K615 WeakPolarHBondContact O-CG 3.39Å
612	L	54.4	Low	54.2	Low	101 Å²	101	103.3 Å²	103.3	53%	0.529	52%	0.517	S	S	.	.	H	α-helix	trans	-87.4	-43.4	171.6	-79.1	163.1	0	0	0	110.7	W609 P610 K615 V616	W609-L612 PolarHBondContact O-N 3.12Å; W609-L612 VanDerWaalsContact O-N 3.11Å; P610-L612 VanDerWaalsContact C-N 3.29Å; P610-L612 PolarHBondContact O-N 3Å; L612-K615 PolarHBondContact O-N 3.42Å; L612-V616 WeakPolarHBondContact O-CG2 3.35Å; L612-V616 PolarHBondContact O-N 2.98Å
613	L	53.3	Low	56.2	Low	91 Å²	91	108 Å²	108	48%	0.476	51%	0.511	S	S	.	.	H	α-helix	trans	-63.5	-42.5	178.9	-68.3	171.3	0	0	0	112.3	W609 P610 K615 V616 L617	W609-L613 WeakPolarHBondContact O-CG 3.32Å; W609-L613 PolarHBondContact O-N 3.25Å; P610-L613 PolarHBondContact O-N 3.05Å; L613-K615 VanDerWaalsContact C-N 3.3Å; L613-K615 PolarHBondContact O-N 3.45Å; L613-V616 PolarHBondContact O-N 3.02Å; L613-L617 PolarHBondContact O-N 3.03Å
614	S	58.6	Low	58.5	Low	37 Å²	37	101.8 Å²	101.8	26%	0.259	48%	0.483	S	S	.	.	H	α-helix	trans	-64.9	-31.7	176.2	64.8	0	0	0	0	113.3	P610 S618	P610-S614 PolarHBondContact O-N 2.82Å; P610-S614 PolarHBondContact O-OG 3.33Å; S614-S618 WeakPolarHBondContact O-CB 3.49Å; S614-S618 PolarHBondContact O-N 2.76Å; S614-S618 PolarHBondContact O-OG 3.33Å
615	K	62.5	Low	60.4	Low	145 Å²	145	94.5 Å²	94.5	63%	0.63	44%	0.438	S	S	*	.	H	α-helix	trans	-70.1	-39.2	172.4	-75.1	-174.8	176.5	-169.8	0	112.4	R611 L612 L613 S618 V619	R611-K615 WeakPolarHBondContact O-CG 3.39Å; L612-K615 PolarHBondContact O-N 3.42Å; L613-K615 VanDerWaalsContact C-N 3.3Å; L613-K615 PolarHBondContact O-N 3.45Å; K615-S618 PolarHBondContact O-OG 3.09Å; K615-V619 WeakPolarHBondContact O-CB 3.28Å; K615-V619 VanDerWaalsContact O-CG2 3.26Å; K615-V619 WeakPolarHBondContact O-CG2 3.45Å; K615-V619 PolarHBondContact O-N 3.3Å; K615-V619 VanDerWaalsContact O-N 3.17Å
616	V	65.6	Low	62.5	Low	101 Å²	101	87.6 Å²	87.6	61%	0.612	42%	0.417	S	S	*	.	H	α-helix	trans	-67	-44	174.4	174	0	0	0	0	110.8	L612 L613 V619 W620	L612-V616 WeakPolarHBondContact O-CG2 3.35Å; L612-V616 PolarHBondContact O-N 2.98Å; L613-V616 PolarHBondContact O-N 3.02Å; V616-V619 PolarHBondContact O-N 2.64Å; V616-W620 PolarHBondContact O-N 2.66Å
617	L	65.3	Low	64.4	Low	47 Å²	47	83.7 Å²	83.7	25%	0.246	41%	0.407	C	S	.	.	H	α-helix	trans	-65.8	-44.9	-179.9	-150.4	83.8	0	0	0	112	L378 L613 V619 W620 L621	L378-L617 HydrophobicContact CD1-CB 4.45Å; L378-L617 HydrophobicContact CD1-CD2 4.07Å; L613-L617 PolarHBondContact O-N 3.03Å; L617-V619 VanDerWaalsContact C-N 3.32Å; L617-V619 PolarHBondContact O-N 3.33Å; L617-W620 WeakPolarHBondContact O-CB 3.21Å; L617-W620 PolarHBondContact O-N 3Å; L617-W620 VanDerWaalsContact O-N 3.08Å; L617-L621 HydrophobicContact CD2-CD1 4.47Å; L617-L621 WeakPolarHBondContact O-CG 3.47Å; L617-L621 PolarHBondContact O-N 2.98Å
618	S	66.1	Low	66.2	Low	13 Å²	13	82.1 Å²	82.1	9%	0.091	40%	0.395	C	S	.	.	H	α-helix	trans	-65.7	-31.9	177.4	52.6	0	0	0	0	113.1	S614 K615 A622	S614-S618 WeakPolarHBondContact O-CB 3.49Å; S614-S618 PolarHBondContact O-N 2.76Å; S614-S618 PolarHBondContact O-OG 3.33Å; K615-S618 PolarHBondContact O-OG 3.09Å; S618-A622 WeakPolarHBondContact O-CB 3.29Å; S618-A622 PolarHBondContact O-N 3.22Å
619	V	73	Confident	67.7	Low	76 Å²	76	78.7 Å²	78.7	46%	0.461	37%	0.371	S	S	.	.	H	α-helix	trans	-70.2	-34.3	170	168.9	0	0	0	0	112	K615 V616 L617 R623	K615-V619 WeakPolarHBondContact O-CB 3.28Å; K615-V619 VanDerWaalsContact O-CG2 3.26Å; K615-V619 WeakPolarHBondContact O-CG2 3.45Å; K615-V619 PolarHBondContact O-N 3.3Å; K615-V619 VanDerWaalsContact O-N 3.17Å; V616-V619 PolarHBondContact O-N 2.64Å; L617-V619 VanDerWaalsContact C-N 3.32Å; L617-V619 PolarHBondContact O-N 3.33Å; V619-R623 VanDerWaalsContact O-CG 3.3Å; V619-R623 WeakPolarHBondContact O-CG 3.36Å; V619-R623 PolarHBondContact O-N 2.93Å; V619-R623 VanDerWaalsContact O-N 3.14Å
620	W	76.4	Confident	69.1	Low	108 Å²	108	77.6 Å²	77.6	41%	0.409	37%	0.372	S	S	.	.	H	α-helix	trans	-67.9	-49.8	174.4	180	79.3	0	0	0	111.6	M374 V616 L617 A622 R623 Q624	M374-W620 HydrophobicContact CE-CH2 4.04Å; M374-W620 HydrophobicContact CE-CZ3 4.13Å; V616-W620 PolarHBondContact O-N 2.66Å; L617-W620 WeakPolarHBondContact O-CB 3.21Å; L617-W620 PolarHBondContact O-N 3Å; L617-W620 VanDerWaalsContact O-N 3.08Å; W620-A622 VanDerWaalsContact C-N 3.34Å; W620-A622 PolarHBondContact O-N 3.39Å; W620-R623 WeakPolarHBondContact O-CA 3.43Å; W620-R623 WeakPolarHBondContact O-CB 3.43Å; W620-R623 PolarHBondContact O-N 2.81Å; W620-Q624 PolarHBondContact O-N 3.31Å
621	L	73.6	Confident	69.8	Low	1 Å²	1	79 Å²	79	1%	0.005	38%	0.379	C	S	.	.	H	α-helix	trans	-60.8	-40	175.3	-66.1	170.5	0	0	0	112.2	E409 L410 F585 L617 R623 Q624 L625	E409-L621 HydrophobicContact CB-CD2 3.63Å; E409-L621 HydrophobicContact CG-CD2 4.02Å; L410-L621 HydrophobicContact CD1-CD1 4.31Å; L410-L621 HydrophobicContact CD2-CD1 3.78Å; L410-L621 HydrophobicContact CG-CD1 4.17Å; F585-L621 HydrophobicContact CD1-CB 4.33Å; F585-L621 HydrophobicContact CE1-CB 3.64Å; F585-L621 HydrophobicContact CE1-CD1 4.47Å; L617-L621 HydrophobicContact CD2-CD1 4.47Å; L617-L621 WeakPolarHBondContact O-CG 3.47Å; L617-L621 PolarHBondContact O-N 2.98Å; L621-R623 VanDerWaalsContact C-N 3.29Å; L621-R623 PolarHBondContact O-N 2.85Å; L621-Q624 PolarHBondContact O-N 3.33Å; L621-L625 WeakPolarHBondContact O-CB 3.43Å; L621-L625 PolarHBondContact O-N 2.91Å
622	A	75.2	Confident	70.3	Confident	19 Å²	19	73.4 Å²	73.4	16%	0.157	37%	0.366	C	S	.	.	H	α-helix	trans	-62.9	-34.2	174.3	0	0	0	0	0	112.4	F585 S618 W620 T626	F585-A622 HydrophobicContact CB-CB 4.15Å; F585-A622 HydrophobicContact CD1-CB 4.18Å; S618-A622 WeakPolarHBondContact O-CB 3.29Å; S618-A622 PolarHBondContact O-N 3.22Å; W620-A622 VanDerWaalsContact C-N 3.34Å; W620-A622 PolarHBondContact O-N 3.39Å; A622-T626 WeakPolarHBondContact O-CB 3.31Å; A622-T626 PolarHBondContact O-N 3.44Å; A622-T626 PolarHBondContact O-OG1 2.65Å
623	R	78.5	Confident	70.7	Confident	171 Å²	171	70.3 Å²	70.3	65%	0.645	35%	0.35	S	S	*	.	H	α-helix	trans	-70	-40.7	172.3	-73.2	170	178.2	-163.5	-0.2	111.9	V619 W620 L621 T626 Q627	V619-R623 VanDerWaalsContact O-CG 3.3Å; V619-R623 WeakPolarHBondContact O-CG 3.36Å; V619-R623 PolarHBondContact O-N 2.93Å; V619-R623 VanDerWaalsContact O-N 3.14Å; W620-R623 WeakPolarHBondContact O-CA 3.43Å; W620-R623 WeakPolarHBondContact O-CB 3.43Å; W620-R623 PolarHBondContact O-N 2.81Å; L621-R623 VanDerWaalsContact C-N 3.29Å; L621-R623 PolarHBondContact O-N 2.85Å; R623-T626 CarbonylContact O-C 3.35Å; R623-T626 WeakPolarHBondContact O-CB 3.47Å; R623-T626 PolarHBondContact O-N 3.08Å; R623-Q627 WeakPolarHBondContact O-CG 3.38Å; R623-Q627 PolarHBondContact O-N 3.4Å
624	Q	77.3	Confident	70.5	Confident	28 Å²	28	71 Å²	71	13%	0.131	36%	0.36	C	S	.	.	H	α-helix	trans	-64.7	-43.4	176.6	-170.8	179.5	6	0	0	111.7	I405 E409 W620 L621 T626 Q627 R628	I405-Q624 HydrophobicContact CD1-CG 4.5Å; E409-Q624 PolarHBondContact OE1-NE2 2.84Å; W620-Q624 PolarHBondContact O-N 3.31Å; L621-Q624 PolarHBondContact O-N 3.33Å; Q624-T626 VanDerWaalsContact C-N 3.33Å; Q624-T626 PolarHBondContact O-N 3.14Å; Q624-Q627 PolarHBondContact O-N 3.15Å; Q624-R628 WeakPolarHBondContact O-CG 3Å; Q624-R628 PolarHBondContact O-N 3.38Å
625	L	78.9	Confident	69.8	Low	0 Å²	0	76.3 Å²	76.3	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-59.2	-43.7	169.4	177.6	64.3	0	0	0	111.2	I405 L581 P582 F585 L621 Q627 R628 L629	I405-L625 HydrophobicContact CD1-CB 3.73Å; I405-L625 HydrophobicContact CD1-CD1 3.92Å; I405-L625 HydrophobicContact CD1-CG 4.44Å; L581-L625 HydrophobicContact CB-CD2 4.4Å; L581-L625 HydrophobicContact CD1-CD2 4.23Å; P582-L625 HydrophobicContact CB-CD2 4.22Å; P582-L625 HydrophobicContact CB-CG 4.47Å; F585-L625 HydrophobicContact CD2-CD2 3.48Å; F585-L625 VanDerWaalsContact CD2-CD2 3.48Å; F585-L625 HydrophobicContact CE2-CD2 3.85Å; F585-L625 HydrophobicContact CG-CD2 4.07Å; L621-L625 WeakPolarHBondContact O-CB 3.43Å; L621-L625 PolarHBondContact O-N 2.91Å; L625-Q627 VanDerWaalsContact C-N 3.32Å; L625-Q627 PolarHBondContact O-N 3.25Å; L625-R628 PolarHBondContact O-N 3.17Å; L625-L629 HydrophobicContact CD1-CD1 3.94Å; L625-L629 HydrophobicContact CD1-CG 4Å; L625-L629 HydrophobicContact CG-CD1 3.87Å; L625-L629 HydrophobicContact CG-CG 4.33Å; L625-L629 WeakPolarHBondContact O-CB 3.03Å; L625-L629 VanDerWaalsContact O-CG 3.25Å; L625-L629 WeakPolarHBondContact O-CG 3.5Å; L625-L629 PolarHBondContact O-N 2.94Å
626	T	79.9	Confident	68.5	Low	43 Å²	43	76.1 Å²	76.1	26%	0.264	39%	0.392	S	S	.	.	H	α-helix	trans	-60	-41.9	175.4	-57.6	0	0	0	0	111.6	P582 A622 R623 Q624 Q630	P582-T626 WeakPolarHBondContact CB-OG1 3.48Å; P582-T626 WeakPolarHBondContact CG-OG1 3.31Å; A622-T626 WeakPolarHBondContact O-CB 3.31Å; A622-T626 PolarHBondContact O-N 3.44Å; A622-T626 PolarHBondContact O-OG1 2.65Å; R623-T626 CarbonylContact O-C 3.35Å; R623-T626 WeakPolarHBondContact O-CB 3.47Å; R623-T626 PolarHBondContact O-N 3.08Å; Q624-T626 VanDerWaalsContact C-N 3.33Å; Q624-T626 PolarHBondContact O-N 3.14Å; T626-Q630 HydrophobicContact CG2-CG 4.42Å; T626-Q630 VanDerWaalsContact O-CB 3.3Å; T626-Q630 WeakPolarHBondContact O-CB 3.4Å; T626-Q630 WeakPolarHBondContact O-CG 3.48Å; T626-Q630 PolarHBondContact O-N 2.89Å
627	Q	78.6	Confident	66.9	Low	124 Å²	124	81.6 Å²	81.6	58%	0.579	40%	0.402	S	S	*	.	H	α-helix	trans	-65.1	-48.6	176.3	-74.2	172.4	-31.2	0	0	112	R623 Q624 L625 L629 Q630 T631	R623-Q627 WeakPolarHBondContact O-CG 3.38Å; R623-Q627 PolarHBondContact O-N 3.4Å; Q624-Q627 PolarHBondContact O-N 3.15Å; L625-Q627 VanDerWaalsContact C-N 3.32Å; L625-Q627 PolarHBondContact O-N 3.25Å; Q627-L629 PolarHBondContact O-N 2.81Å; Q627-Q630 PolarHBondContact O-N 3.18Å; Q627-T631 PolarHBondContact O-N 3.03Å; Q627-T631 PolarHBondContact O-OG1 3.23Å
628	R	78.8	Confident	65.2	Low	123 Å²	123	83.6 Å²	83.6	46%	0.464	43%	0.425	S	S	.	.	H	α-helix	trans	-59.6	-44.9	176.6	-67.3	-66.3	-158.1	-179.3	8.4	111.3	A401 I405 E408 Q624 L625 T631 V632	A401-R628 HydrophobicContact CB-CB 4.22Å; I405-R628 HydrophobicContact CD1-CG 4.09Å; E408-R628 IonicContact OE2-NH2 2.7Å; Q624-R628 WeakPolarHBondContact O-CG 3Å; Q624-R628 PolarHBondContact O-N 3.38Å; L625-R628 PolarHBondContact O-N 3.17Å; R628-T631 WeakPolarHBondContact CA-OG1 3.28Å; R628-T631 PolarHBondContact O-N 2.87Å; R628-T631 PolarHBondContact O-OG1 3.39Å; R628-V632 PolarHBondContact O-N 3.28Å
629	L	78.6	Confident	63.3	Low	12 Å²	12	92 Å²	92	6%	0.063	46%	0.463	C	S	.	.	H	α-helix	trans	-63.6	-40.9	175.5	-69.1	173.7	0	0	0	112	A398 A401 F560 L625 Q627 T631 V632 L633	A398-L629 HydrophobicContact CB-CD2 3.6Å; A401-L629 HydrophobicContact CB-CD2 4.27Å; F560-L629 HydrophobicContact CD1-CD1 3.89Å; F560-L629 HydrophobicContact CD1-CD2 4.2Å; F560-L629 HydrophobicContact CE1-CD1 4.05Å; F560-L629 HydrophobicContact CE1-CD2 4.07Å; L625-L629 HydrophobicContact CD1-CD1 3.94Å; L625-L629 HydrophobicContact CD1-CG 4Å; L625-L629 HydrophobicContact CG-CD1 3.87Å; L625-L629 HydrophobicContact CG-CG 4.33Å; L625-L629 WeakPolarHBondContact O-CB 3.03Å; L625-L629 VanDerWaalsContact O-CG 3.25Å; L625-L629 WeakPolarHBondContact O-CG 3.5Å; L625-L629 PolarHBondContact O-N 2.94Å; Q627-L629 PolarHBondContact O-N 2.81Å; L629-T631 PolarHBondContact O-N 2.03Å; L629-V632 PolarHBondContact O-N 2.89Å; L629-L633 HydrophobicContact CB-CD1 4.25Å; L629-L633 HydrophobicContact CD2-CD1 4.31Å; L629-L633 WeakPolarHBondContact O-CB 3.06Å; L629-L633 WeakPolarHBondContact O-CG 3.3Å; L629-L633 PolarHBondContact O-N 2.85Å
630	Q	73.1	Confident	61.1	Low	118 Å²	118	100 Å²	100	55%	0.551	49%	0.485	S	S	*	.	H	α-helix	trans	-63.4	-26.8	175.1	-79.1	173.6	-1.9	0	0	113.6	T626 Q627	T626-Q630 HydrophobicContact CG2-CG 4.42Å; T626-Q630 VanDerWaalsContact O-CB 3.3Å; T626-Q630 WeakPolarHBondContact O-CB 3.4Å; T626-Q630 WeakPolarHBondContact O-CG 3.48Å; T626-Q630 PolarHBondContact O-N 2.89Å; Q627-Q630 PolarHBondContact O-N 3.18Å
631	T	65.6	Low	58.7	Low	109 Å²	109	100.9 Å²	100.9	67%	0.669	50%	0.502	S	S	*	.	H	α-helix	trans	-80.1	-14.5	176	49.1	0	0	0	0	114.8	Q627 R628 L629	Q627-T631 PolarHBondContact O-N 3.03Å; Q627-T631 PolarHBondContact O-OG1 3.23Å; R628-T631 WeakPolarHBondContact CA-OG1 3.28Å; R628-T631 PolarHBondContact O-N 2.87Å; R628-T631 PolarHBondContact O-OG1 3.39Å; L629-T631 PolarHBondContact O-N 2.03Å
632	V	63.2	Low	56.6	Low	74 Å²	74	106.7 Å²	106.7	45%	0.448	54%	0.54	S	S	.	.	H	α-helix	trans	-127.4	-7.8	-175.4	-152.3	0	0	0	0	114.1	S397 R628 L629	S397-V632 VanDerWaalsContact CB-CG1 3.44Å; S397-V632 WeakPolarHBondContact OG-CG1 2.99Å; R628-V632 PolarHBondContact O-N 3.28Å; L629-V632 PolarHBondContact O-N 2.89Å
633	L	62.1	Low	54.3	Low	36 Å²	36	111.1 Å²	111.1	19%	0.188	57%	0.57	C	S	.	*	S	Bend	trans	-100.6	128	172.1	-62	-178.1	0	0	0	111.3	A394 A398 L563 L629 Q635	A394-L633 HydrophobicContact CB-CD2 3.85Å; A394-L633 WeakPolarHBondContact O-CD2 3.46Å; A398-L633 HydrophobicContact CB-CD2 4.44Å; L563-L633 HydrophobicContact CD1-CD1 4.12Å; L563-L633 HydrophobicContact CD1-CD2 3.77Å; L563-L633 HydrophobicContact CD2-CD2 4.23Å; L563-L633 HydrophobicContact CG-CD1 4.34Å; L563-L633 HydrophobicContact CG-CD2 4.34Å; L629-L633 HydrophobicContact CB-CD1 4.25Å; L629-L633 HydrophobicContact CD2-CD1 4.31Å; L629-L633 WeakPolarHBondContact O-CB 3.06Å; L629-L633 WeakPolarHBondContact O-CG 3.3Å; L629-L633 PolarHBondContact O-N 2.85Å; L633-Q635 PolarHBondContact O-N 2.85Å
634	P	50.2	Low	51.9	Low	107 Å²	107	107.2 Å²	107.2	70%	0.695	57%	0.574	S	S	*	*			trans	-65	130.3	176.3	26.9	-33.5	0	0	0	110.6	T636	P634-T636 PolarHBondContact O-N 2.03Å; P634-T636 VanDerWaalsContact O-N 3.13Å
635	Q	44.5	Very low	49.6	Very low	148 Å²	148	113.9 Å²	113.9	69%	0.692	61%	0.609	S	S	*	*			trans	-72.1	107.5	-178.5	-71.2	-170.2	1.6	0	0	111.9	L633 R637	L633-Q635 PolarHBondContact O-N 2.85Å; Q635-R637 PolarHBondContact O-N 2.85Å
636	T	34.6	Very low	47.1	Very low	141 Å²	141	123.4 Å²	123.4	87%	0.865	65%	0.65	S	S	*	*			trans	-68.9	76.2	163.6	-47.3	0	0	0	0	110	P634 A638	P634-T636 PolarHBondContact O-N 2.03Å; P634-T636 VanDerWaalsContact O-N 3.13Å; T636-A638 PolarHBondContact O-N 3.14Å
637	R	31.9	Very low	44.4	Very low	215 Å²	215	127.8 Å²	127.8	81%	0.811	68%	0.677	S	S	*	*			trans	-73.7	86.5	-174.5	-166.5	-178.2	-165.1	-179.8	6.2	110.5	Q635 Q639	Q635-R637 PolarHBondContact O-N 2.85Å; R637-Q639 PolarHBondContact O-N 2.82Å; R637-Q639 VanDerWaalsContact O-N 3.08Å
638	A	28.9	Very low	41.8	Very low	90 Å²	90	127.3 Å²	127.3	74%	0.744	69%	0.687	S	S	*	*			trans	-51.8	114.8	178.3	0	0	0	0	0	111.5	T636 R640	T636-A638 PolarHBondContact O-N 3.14Å; A638-R640 PolarHBondContact O-N 3.48Å
639	Q	26.9	Very low	39.2	Very low	190 Å²	190	126.4 Å²	126.4	89%	0.888	70%	0.7	S	S	*	*			trans	-67.4	116.2	-178.5	-71	170.8	-52.6	0	0	110.4	R637	R637-Q639 PolarHBondContact O-N 2.82Å; R637-Q639 VanDerWaalsContact O-N 3.08Å
640	R	25.6	Very low	36.7	Very low	243 Å²	243	132.5 Å²	132.5	92%	0.917	73%	0.733	S	S	*	*			trans	-93	115.4	153.7	-69	-170.8	-173.5	174.4	3.4	108	A638	A638-R640 PolarHBondContact O-N 3.48Å
641	V	27	Very low	34.5	Very low	126 Å²	126	136.5 Å²	136.5	76%	0.764	75%	0.751	S	S	*	*			trans	-67.9	131	172.3	178.6	0	0	0	0	109	S643	V641-S643 PolarHBondContact O-N 2.76Å
642	P	28.9	Very low	32.6	Very low	123 Å²	123	137.3 Å²	137.3	80%	0.799	76%	0.757	S	S	*	*			trans	-80.1	99.2	177.5	31	-33	0	0	0	110.9	A644	P642-A644 PolarHBondContact O-N 3.25Å; P642-A644 VanDerWaalsContact O-N 3.1Å
643	S	27	Very low	31	Very low	113 Å²	113	143.7 Å²	143.7	79%	0.79	78%	0.778	S	S	*	*			trans	-77.9	93.4	177.8	58.8	0	0	0	0	112.4	V641	V641-S643 PolarHBondContact O-N 2.76Å
644	A	27.6	Very low	29.3	Very low	89 Å²	89	146.7 Å²	146.7	74%	0.736	80%	0.802	S	S	*	*			trans	37.1	104	153.2	0	0	0	0	0	118.8	P642 K646	P642-A644 PolarHBondContact O-N 3.25Å; P642-A644 VanDerWaalsContact O-N 3.1Å; A644-K646 PolarHBondContact O-N 2.88Å
645	I	30.5	Very low	28.1	Very low	168 Å²	168	150 Å²	150	86%	0.862	81%	0.806	S	S	*	*			trans	-71.6	120.1	150.8	-63.2	172.8	0	0	0	107.7
646	K	25.9	Very low	27.1	Very low	200 Å²	200	154.9 Å²	154.9	87%	0.87	82%	0.818	S	S	*	*			trans	-121.9	124.1	160.4	-101.8	-172.3	174.3	-176.7	0	109	A644	A644-K646 PolarHBondContact O-N 2.88Å
647	T	23.6	Very low	26.7	Very low	134 Å²	134	156.3 Å²	156.3	82%	0.822	81%	0.812	S	S	*	*			trans	-85	131.9	176.6	45.2	0	0	0	0	111.3
648	S	23.8	Very low	26.4	Very low	114 Å²	114	153.4 Å²	153.4	80%	0.797	81%	0.812	S	S	*	*			trans	-138.6	130.5	146.9	57.2	0	0	0	0	109.3	D650	S648-D650 PolarHBondContact O-N 3.48Å
649	S	24.4	Very low	26.3	Very low	104 Å²	104	154.8 Å²	154.8	73%	0.727	81%	0.813	S	S	*	*			trans	-55.4	131.9	167.6	-173.9	0	0	0	0	110.3
650	D	24.4	Very low	26.2	Very low	141 Å²	141	153.7 Å²	153.7	75%	0.754	81%	0.813	S	S	*	*				172.1	122.4	113.7	-89	0.5	0	0	0	110.5	S648	S648-D650 PolarHBondContact O-N 3.48Å
651	Q	27.8	Very low	26.2	Very low	201 Å²	201	149.1 Å²	149.1	94%	0.939	81%	0.811	S	S	*	*			trans	-146.8	120.1	155.5	-142	170.3	45.1	0	0	113.5
652	T	25.6	Very low	26.1	Very low	127 Å²	127	146.5 Å²	146.5	78%	0.779	81%	0.81	S	S	*	*			trans	-83.8	154.7	-172.9	-45.3	0	0	0	0	112.1	S654	T652-S654 PolarHBondContact O-N 2.89Å
653	K	29	Very low	25.9	Very low	207 Å²	207	146.2 Å²	146.2	90%	0.9	81%	0.811	S	S	*	*			trans	-49.6	124.5	174.3	-61	167.5	-179.5	171.4	0	113.2
654	S	26.6	Very low	26.1	Very low	100 Å²	100	146.1 Å²	146.1	70%	0.699	81%	0.808	S	S	*	*			trans	-132.7	136.2	151.9	63	0	0	0	0	108.8	T652	T652-S654 PolarHBondContact O-N 2.89Å
655	K	25.9	Very low	25.9	Very low	176 Å²	176	148 Å²	148	77%	0.765	81%	0.81	S	S	*	*			cis	81	77.2	19.7	-156.9	-178.3	-172.4	173.8	0	114.7
656	W	23.3	Very low	25.6	Very low	250 Å²	250	145.2 Å²	145.2	95%	0.947	81%	0.806	S	S	*	*			trans	-92.8	142.5	156.4	-76	87.2	0	0	0	110.2
657	K	26.5	Very low	25.5	Very low	172 Å²	172	146.1 Å²	146.1	75%	0.748	81%	0.809	S	S	*	*			trans	-112.5	154.8	-179.5	-87.9	-171.5	170.3	-171.1	0	110.6
658	L	24.5	Very low	25.7	Very low	153 Å²	153	147.7 Å²	147.7	80%	0.801	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-74	157	160.6	-65.3	93.1	0	0	0	111.1
659	P	26.8	Very low	25.8	Very low	120 Å²	120	151.3 Å²	151.3	78%	0.779	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-70	153.1	166.5	-11.7	28	0	0	0	111.9
660	L	25.1	Very low	26	Very low	166 Å²	166	156.3 Å²	156.3	87%	0.869	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-102.2	147.8	160.5	-90.1	78.1	0	0	0	109.6
661	V	25.6	Very low	26	Very low	147 Å²	147	159.1 Å²	159.1	89%	0.891	82%	0.823	S	S	*	*			trans	-126.8	140.1	156.7	178.6	0	0	0	0	106.7
662	G	24.9	Very low	26.1	Very low	71 Å²	71	156.9 Å²	156.9	73%	0.732	82%	0.817	S	S	*	*			trans	-88.5	165.9	-169	0	0	0	0	0	115.4
663	S	24.9	Very low	26	Very low	117 Å²	117	158.7 Å²	158.7	82%	0.818	82%	0.821	S	S	*	*			trans	-79.4	164.5	161.7	64.8	0	0	0	0	110.4
664	P	31.1	Very low	26.1	Very low	112 Å²	112	157.8 Å²	157.8	73%	0.727	82%	0.82	S	S	*	*				-124	-173.9	70.1	40.7	-30.1	0	0	0	111.8
665	T	24.2	Very low	26.4	Very low	129 Å²	129	168.1 Å²	168.1	79%	0.791	84%	0.843	S	S	*	*			cis	-148.1	162	15	-27.7	0	0	0	0	110.6
666	S	24.6	Very low	26.4	Very low	109 Å²	109	167.7 Å²	167.7	76%	0.762	85%	0.847	S	S	*	*			trans	-72.3	139.9	174	53.5	0	0	0	0	113.9
667	K	24	Very low	26.6	Very low	218 Å²	218	163.4 Å²	163.4	95%	0.948	84%	0.842	S	S	*	*			trans	-143.2	159	140.2	-116.6	180	-177.9	-174.9	0	110.1
668	Q	26.3	Very low	26.6	Very low	167 Å²	167	162.9 Å²	162.9	78%	0.78	85%	0.847	S	S	*	*			trans	-138.5	124.3	-160.2	168.8	-173.6	-26.7	0	0	108.7
669	E	26.6	Very low	26.7	Very low	190 Å²	190	163.5 Å²	163.5	89%	0.888	85%	0.85	S	S	*	*			trans	-136.9	134.2	174.9	-160.9	126.2	-132.2	0	0	108.7
670	R	27.8	Very low	26.7	Very low	210 Å²	210	166.2 Å²	166.2	79%	0.792	85%	0.854	S	S	*	*			trans	-122.1	122.2	173.4	-72.8	176.2	174	167.4	-4.5	106.4
671	E	25.5	Very low	26.8	Very low	199 Å²	199	166.2 Å²	166.2	93%	0.93	85%	0.853	S	S	*	*			trans	-82.1	150.2	157.1	-74.3	-165.2	114.6	0	0	110.2
672	L	28.5	Very low	26.9	Very low	154 Å²	154	167.6 Å²	167.6	81%	0.806	85%	0.851	S	S	*	*			trans	-111.5	146.1	-173.1	-87.6	162.3	0	0	0	110.9	H674	L672-H674 PolarHBondContact O-N 2.99Å
673	L	24.9	Very low	27.1	Very low	166 Å²	166	175 Å²	175	87%	0.869	86%	0.86	S	S	*	*			trans	-62.8	117.7	164.1	-83.5	158.4	0	0	0	110
674	H	29.8	Very low	27.2	Very low	188 Å²	188	179.8 Å²	179.8	87%	0.87	86%	0.863	S	S	*	*			trans	-157.7	65.8	162.4	-107	-45.4	0	0	0	114	L672	L672-H674 PolarHBondContact O-N 2.99Å
675	R	33.6	Very low	26.9	Very low	316 Å²	316	186 Å²	186	100%	1.192	88%	0.875	S	S	*	*				-160.1	0	127	-137.5	172.4	-172.5	162.1	4.2	112.6

Retrieved 675 of 675 residues in 646.6 ms (Link to these results)

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