A0A5K4FCY8_SCHMA Loading...

Endostatin domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCY8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 533 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	26.3	Very low	31	Very low	229 Å²	229	127.6 Å²	127.6	100%	1.128	65%	0.653	S	S	*	*				0	97.9	0	-127.5	-180	-167	0	0	106.2
2	Y	24.7	Very low	31.2	Very low	193 Å²	193	119.7 Å²	119.7	76%	0.757	62%	0.617	S	S	*	*			trans	-72.2	127.7	177.1	-72.8	-97.2	0	0	0	108.1
3	K	25.9	Very low	31.4	Very low	114 Å²	114	115.5 Å²	115.5	50%	0.496	60%	0.597	S	S	.	*			trans	-124.9	121.4	164.9	-84.5	-166	172.8	-164.3	0	107.6
4	P	27.8	Very low	31.6	Very low	70 Å²	70	109 Å²	109	46%	0.455	56%	0.563	S	S	.	*			trans	-49	143.6	165	-25.6	33.6	0	0	0	110.3	D6 L7	P4-D6 PolarHBondContact O-N 3.22Å; P4-L7 HydrophobicContact CB-CD1 4.24Å; P4-L7 HydrophobicContact CG-CD1 3.89Å; P4-L7 PolarHBondContact O-N 3.4Å
5	T	34.1	Very low	31.6	Very low	99 Å²	99	104.7 Å²	104.7	61%	0.607	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-51.3	-27.3	-179.6	-11.3	0	0	0	0	112.6	L7	T5-L7 VanDerWaalsContact C-N 3.33Å
6	D	35.2	Very low	31.8	Very low	148 Å²	148	101.4 Å²	101.4	79%	0.791	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-79.8	-16.1	-175.7	-37.2	-34.1	0	0	0	112.5	P4	P4-D6 PolarHBondContact O-N 3.22Å
7	L	32.1	Very low	32	Very low	117 Å²	117	95.9 Å²	95.9	61%	0.613	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-102.9	10.6	-179	-76.8	160.6	0	0	0	113.1	P4 T5	P4-L7 HydrophobicContact CB-CD1 4.24Å; P4-L7 HydrophobicContact CG-CD1 3.89Å; P4-L7 PolarHBondContact O-N 3.4Å; T5-L7 VanDerWaalsContact C-N 3.33Å
8	M	34.4	Very low	31.9	Very low	41 Å²	41	91.2 Å²	91.2	20%	0.202	47%	0.471	C	S	.	.	S	Bend	trans	-85.8	126.1	178.2	-69.4	-156.6	164.6	0	0	111.8	Q10 Y16 T44	M8-Q10 PolarHBondContact O-N 3.16Å; M8-Y16 HydrophobicContact SD-CD1 4Å; M8-Y16 HydrophobicContact SD-CE1 3.61Å; M8-T44 HydrophobicContact CE-CG2 4.15Å
9	N	34.4	Very low	31.9	Very low	128 Å²	128	87.3 Å²	87.3	68%	0.684	45%	0.451	S	S	*	.			trans	-66.3	122.2	-179.2	-150.6	5.7	0	0	0	109.9	S11	N9-S11 PolarHBondContact O-N 3.29Å
10	Q	34.2	Very low	31.8	Very low	175 Å²	175	85.6 Å²	85.6	82%	0.818	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-0.1	-164.6	-63.5	179.4	2.1	0	0	114.9	M8	M8-Q10 PolarHBondContact O-N 3.16Å
11	S	31.7	Very low	31.9	Very low	90 Å²	90	86 Å²	86	63%	0.629	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	24.3	-170.8	57	0	0	0	0	114.4	N9	N9-S11 PolarHBondContact O-N 3.29Å
12	S	33.3	Very low	32.2	Very low	32 Å²	32	79.3 Å²	79.3	22%	0.224	41%	0.409	C	S	.	.			trans	-118.1	117.2	-165.7	178.3	0	0	0	0	112.1	D14	S12-D14 PolarHBondContact O-N 3.19Å; S12-D14 PolarHBondContact OG-OD2 3.23Å
13	D	33.7	Very low	32.5	Very low	66 Å²	66	74.3 Å²	74.3	35%	0.353	39%	0.391	S	S	.	.			trans	-62.4	25.4	172.1	-66.6	-33.5	0	0	0	114.4	F165	D13-F165 HydrophobicContact CB-CD1 4.03Å; D13-F165 HydrophobicContact CB-CE1 3.61Å; D13-F165 HydrophobicContact CB-CZ 4.31Å
14	D	34.3	Very low	32.7	Very low	24 Å²	24	74.4 Å²	74.4	13%	0.128	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-77.5	142.2	-174.7	-78.2	-16.7	0	0	0	111	S12 Y16 R46	S12-D14 PolarHBondContact O-N 3.19Å; S12-D14 PolarHBondContact OG-OD2 3.23Å; D14-Y16 HydrophobicContact CB-CE1 4.5Å; D14-Y16 HydrophobicContact CB-CE2 4.21Å; D14-Y16 WeakPolarHBondContact O-CD2 3.45Å; D14-Y16 WeakPolarHBondContact O-CE2 3.44Å; D14-R46 IonicContact OD2-CZ 3.51Å; D14-R46 VanDerWaalsContact OD2-CZ 3.27Å; D14-R46 IonicContact OD2-NE 2.9Å; D14-R46 PolarHBondContact OD2-NE 3.03Å; D14-R46 IonicContact OD2-NH2 2.76Å; D14-R46 PolarHBondContact OD2-NH2 3.37Å
15	L	32.9	Very low	32.7	Very low	45 Å²	45	77.2 Å²	77.2	24%	0.236	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-76.8	124.3	168.1	-162.6	93.7	0	0	0	108.2	M47	L15-M47 HydrophobicContact CD2-SD 4.1Å
16	Y	34.3	Very low	32.3	Very low	51 Å²	51	82.5 Å²	82.5	20%	0.2	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.3	-178.4	-64	-85.7	0	0	0	110.8	M8 D14	M8-Y16 HydrophobicContact SD-CD1 4Å; M8-Y16 HydrophobicContact SD-CE1 3.61Å; D14-Y16 HydrophobicContact CB-CE1 4.5Å; D14-Y16 HydrophobicContact CB-CE2 4.21Å; D14-Y16 WeakPolarHBondContact O-CD2 3.45Å; D14-Y16 WeakPolarHBondContact O-CE2 3.44Å
17	V	34.3	Very low	32	Very low	9 Å²	9	84.1 Å²	84.1	6%	0.055	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	110.4	169.8	-176.6	0	0	0	0	107.6	L19 Y45 M47 V66 I153	V17-L19 HydrophobicContact CG1-CD2 3.84Å; V17-Y45 PolarHBondContact O-N 3.2Å; V17-M47 HydrophobicContact CG2-CG 4.37Å; V17-M47 HydrophobicContact CG2-SD 3.95Å; V17-V66 HydrophobicContact CG1-CG1 4.47Å; V17-I153 HydrophobicContact CG2-CD1 3.92Å
18	G	31.3	Very low	31.7	Very low	10 Å²	10	83.4 Å²	83.4	10%	0.103	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	104.2	175.2	0	0	0	0	0	110.4	V20 I65	G18-V20 PolarHBondContact O-N 3.21Å; G18-I65 CarbonylContact O-C 3.54Å
19	L	30.8	Very low	31.3	Very low	17 Å²	17	89.8 Å²	89.8	9%	0.089	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	121.5	173.5	-45.8	-176.8	0	0	0	108.5	V17 Y45 M57 L61 V64	V17-L19 HydrophobicContact CG1-CD2 3.84Å; L19-Y45 HydrophobicContact CB-CE2 4.24Å; L19-Y45 HydrophobicContact CD1-CD2 3.74Å; L19-Y45 HydrophobicContact CD1-CE2 3.1Å; L19-Y45 HydrophobicContact CD2-CD2 4.45Å; L19-Y45 HydrophobicContact CG-CD2 3.61Å; L19-Y45 HydrophobicContact CG-CE2 3.42Å; L19-Y45 VanDerWaalsContact CG-CE2 3.42Å; L19-M57 HydrophobicContact CD1-CE 4.16Å; L19-L61 HydrophobicContact CD1-CD1 4.24Å; L19-V64 HydrophobicContact CB-CG1 4.21Å; L19-V64 HydrophobicContact CD2-CG1 3.08Å; L19-V64 HydrophobicContact CG-CG1 4.16Å
20	V	31.3	Very low	31	Very low	53 Å²	53	91 Å²	91	32%	0.321	47%	0.466	S	S	.	.			trans	-111.9	127.4	170.7	-176.2	0	0	0	0	107.9	G18 F38 I65	G18-V20 PolarHBondContact O-N 3.21Å; V20-F38 HydrophobicContact CG1-CD1 4.34Å; V20-I65 HydrophobicContact CB-CB 4.21Å; V20-I65 HydrophobicContact CB-CD1 3.65Å; V20-I65 HydrophobicContact CB-CG1 3.95Å; V20-I65 HydrophobicContact CG1-CD1 4.12Å; V20-I65 HydrophobicContact CG2-CB 4.1Å; V20-I65 HydrophobicContact CG2-CD1 3.87Å; V20-I65 HydrophobicContact CG2-CG1 4.27Å
21	K	33.1	Very low	30.7	Very low	94 Å²	94	91.6 Å²	91.6	41%	0.409	47%	0.466	S	S	.	.			trans	-81.9	123.2	173.8	-175.4	-176.7	177.8	-170	0	108.6	L61	K21-L61 HydrophobicContact CB-CD2 4.36Å; K21-L61 HydrophobicContact CG-CD2 4.14Å
22	Q	32.7	Very low	30.3	Very low	90 Å²	90	94.7 Å²	94.7	42%	0.421	48%	0.476	S	S	.	.			trans	-84.3	125.2	167	-162.4	176.9	13.1	0	0	108.7
23	K	31.8	Very low	29.7	Very low	87 Å²	87	98 Å²	98	38%	0.378	50%	0.495	S	S	.	.			trans	-98.7	105.3	166.5	-156	-166.6	-157.4	172.7	0	106.9	E25 E39	K23-E25 PolarHBondContact O-N 3.42Å; K23-E39 VanDerWaalsContact CD-OE2 3.25Å; K23-E39 WeakPolarHBondContact CD-OE2 3.4Å; K23-E39 VanDerWaalsContact CE-OE2 3.3Å; K23-E39 WeakPolarHBondContact CE-OE2 3.38Å; K23-E39 VanDerWaalsContact NZ-CD 3.33Å; K23-E39 IonicContact NZ-OE1 3.64Å; K23-E39 PolarHBondContact NZ-OE1 2.95Å; K23-E39 IonicContact NZ-OE2 2.65Å; K23-E39 PolarHBondContact NZ-OE2 3.32Å
24	T	29.1	Very low	29.1	Very low	116 Å²	116	101.6 Å²	101.6	71%	0.712	52%	0.519	S	S	*	.			trans	-79.9	95.9	172.4	5.1	0	0	0	0	108.5	K26	T24-K26 PolarHBondContact O-N 2.96Å
25	E	28	Very low	28.5	Very low	130 Å²	130	109.1 Å²	109.1	61%	0.607	55%	0.547	S	S	*	.			trans	-72.6	110.1	162.9	-83	-176.9	166.9	0	0	108.7	K23 Q27	K23-E25 PolarHBondContact O-N 3.42Å; E25-Q27 PolarHBondContact O-N 3.23Å; E25-Q27 VanDerWaalsContact O-N 3.13Å
26	K	26.1	Very low	28.1	Very low	210 Å²	210	111.6 Å²	111.6	91%	0.913	56%	0.559	S	S	*	*			trans	-72.6	98.1	166.5	-75.2	-176.4	178	179.9	0	107.9	T24	T24-K26 PolarHBondContact O-N 2.96Å
27	Q	28.4	Very low	27.5	Very low	182 Å²	182	113 Å²	113	85%	0.85	57%	0.573	S	S	*	*			trans	-101.1	132.2	163.8	-106.3	-174.7	4.5	0	0	111.5	E25	E25-Q27 PolarHBondContact O-N 3.23Å; E25-Q27 VanDerWaalsContact O-N 3.13Å
28	S	25.3	Very low	27.1	Very low	102 Å²	102	119.6 Å²	119.6	71%	0.713	60%	0.601	S	S	*	*			trans	-77.7	143	-173	101	0	0	0	0	111.5
29	H	27.1	Very low	26.9	Very low	175 Å²	175	123 Å²	123	81%	0.81	62%	0.615	S	S	*	*	S	Bend	trans	36.3	83.9	154.2	-68.5	-59.5	0	0	0	117.9
30	N	28	Very low	26.8	Very low	154 Å²	154	130.5 Å²	130.5	82%	0.824	65%	0.649	S	S	*	*				-174.1	141.8	119.8	-106.1	-37.2	0	0	0	111.4
31	K	26.3	Very low	26.8	Very low	186 Å²	186	132.4 Å²	132.4	81%	0.809	66%	0.661	S	S	*	*	S	Bend	trans	-1.9	122.7	168.3	-66	172.7	177.2	177	0	117.8
32	N	23.4	Very low	26.7	Very low	156 Å²	156	131.5 Å²	131.5	83%	0.834	67%	0.666	S	S	*	*	S	Bend	trans	59.2	67.5	146.2	-65.8	-0.9	0	0	0	118.2
33	T	21.7	Very low	26.6	Very low	102 Å²	102	127.9 Å²	127.9	63%	0.626	65%	0.653	S	S	*	*			trans	177.4	124.6	136.9	15.5	0	0	0	0	109.1	Y35	T33-Y35 HydrophobicContact CG2-CE2 4.32Å; T33-Y35 WeakPolarHBondContact OG1-CE2 3.37Å
34	T	21.1	Very low	26.5	Very low	140 Å²	140	125.7 Å²	125.7	86%	0.859	65%	0.647	S	S	*	*			trans	-97.4	107.3	170.6	-42.3	0	0	0	0	107.4
35	Y	22.3	Very low	26.7	Very low	182 Å²	182	125.3 Å²	125.3	71%	0.714	63%	0.633	S	S	*	*			trans	-85.5	118.6	171.8	-64.9	-86.6	0	0	0	108.4	T33 T37	T33-Y35 HydrophobicContact CG2-CE2 4.32Å; T33-Y35 WeakPolarHBondContact OG1-CE2 3.37Å; Y35-T37 PolarHBondContact O-N 2.98Å
36	I	22.8	Very low	26.9	Very low	98 Å²	98	126 Å²	126	50%	0.503	63%	0.63	S	S	.	*			trans	-85.6	102.4	170.4	-59.2	173.5	0	0	0	106.8	F38	I36-F38 HydrophobicContact CB-CE2 4.5Å; I36-F38 HydrophobicContact CG2-CD1 4.47Å; I36-F38 HydrophobicContact CG2-CE1 4.08Å; I36-F38 HydrophobicContact CG2-CE2 4.12Å; I36-F38 HydrophobicContact CG2-CZ 3.89Å
37	T	22.9	Very low	27.2	Very low	79 Å²	79	117.4 Å²	117.4	49%	0.485	59%	0.594	S	S	.	*			trans	-80.4	115.1	169.2	28.1	0	0	0	0	109.3	Y35 E39	Y35-T37 PolarHBondContact O-N 2.98Å; T37-E39 PolarHBondContact O-N 2.7Å
38	F	26.1	Very low	27.3	Very low	148 Å²	148	113.3 Å²	113.3	65%	0.649	58%	0.578	S	S	*	*			trans	-81.5	108.8	174.4	-62.5	-85.9	0	0	0	108.9	V20 I36 E40	V20-F38 HydrophobicContact CG1-CD1 4.34Å; I36-F38 HydrophobicContact CB-CE2 4.5Å; I36-F38 HydrophobicContact CG2-CD1 4.47Å; I36-F38 HydrophobicContact CG2-CE1 4.08Å; I36-F38 HydrophobicContact CG2-CE2 4.12Å; I36-F38 HydrophobicContact CG2-CZ 3.89Å; F38-E40 PolarHBondContact O-N 3.42Å
39	E	27.1	Very low	27.8	Very low	82 Å²	82	113.3 Å²	113.3	38%	0.383	56%	0.562	S	S	.	*			trans	-83.8	104.7	167.2	-140.3	174.8	-143.9	0	0	107.2	K23 T37 V41	K23-E39 VanDerWaalsContact CD-OE2 3.25Å; K23-E39 WeakPolarHBondContact CD-OE2 3.4Å; K23-E39 VanDerWaalsContact CE-OE2 3.3Å; K23-E39 WeakPolarHBondContact CE-OE2 3.38Å; K23-E39 VanDerWaalsContact NZ-CD 3.33Å; K23-E39 IonicContact NZ-OE1 3.64Å; K23-E39 PolarHBondContact NZ-OE1 2.95Å; K23-E39 IonicContact NZ-OE2 2.65Å; K23-E39 PolarHBondContact NZ-OE2 3.32Å; T37-E39 PolarHBondContact O-N 2.7Å; E39-V41 VanDerWaalsContact C-N 3.33Å; E39-V41 PolarHBondContact O-N 3.23Å
40	E	28.6	Very low	27.9	Very low	175 Å²	175	114 Å²	114	82%	0.818	56%	0.557	S	S	*	*			trans	-60	91.5	175.6	-86.4	-170.1	140	0	0	110.5	F38	F38-E40 PolarHBondContact O-N 3.42Å
41	V	30.2	Very low	27.9	Very low	92 Å²	92	108.5 Å²	108.5	56%	0.558	53%	0.534	S	S	*	.			trans	-112	67.1	157.8	-165.9	0	0	0	0	106.4	E39 G43	E39-V41 VanDerWaalsContact C-N 3.33Å; E39-V41 PolarHBondContact O-N 3.23Å; V41-G43 PolarHBondContact O-N 2.99Å
42	S	32.3	Very low	28	Very low	76 Å²	76	103.3 Å²	103.3	53%	0.531	52%	0.515	S	S	.	.			trans	-83.3	112.5	-168.5	53.2	0	0	0	0	111.4
43	G	29	Very low	28.2	Very low	13 Å²	13	104 Å²	104	13%	0.134	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	107.4	164.9	0	0	0	0	0	109.3	V41 Y45	V41-G43 PolarHBondContact O-N 2.99Å; G43-Y45 VanDerWaalsContact O-CD2 3.28Å; G43-Y45 WeakPolarHBondContact O-CD2 3.28Å; G43-Y45 WeakPolarHBondContact O-CE2 3.48Å
44	T	31.2	Very low	28.3	Very low	41 Å²	41	105 Å²	105	25%	0.252	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	119.4	167.4	5.7	0	0	0	0	108.8	M8 R46	M8-T44 HydrophobicContact CE-CG2 4.15Å; T44-R46 PolarHBondContact O-N 3.24Å
45	Y	32.7	Very low	28.7	Very low	108 Å²	108	104.2 Å²	104.2	42%	0.424	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	110.4	176.7	-69	-101.3	0	0	0	108.4	V17 L19 G43 M47 M57	V17-Y45 PolarHBondContact O-N 3.2Å; L19-Y45 HydrophobicContact CB-CE2 4.24Å; L19-Y45 HydrophobicContact CD1-CD2 3.74Å; L19-Y45 HydrophobicContact CD1-CE2 3.1Å; L19-Y45 HydrophobicContact CD2-CD2 4.45Å; L19-Y45 HydrophobicContact CG-CD2 3.61Å; L19-Y45 HydrophobicContact CG-CE2 3.42Å; L19-Y45 VanDerWaalsContact CG-CE2 3.42Å; G43-Y45 VanDerWaalsContact O-CD2 3.28Å; G43-Y45 WeakPolarHBondContact O-CD2 3.28Å; G43-Y45 WeakPolarHBondContact O-CE2 3.48Å; Y45-M47 PolarHBondContact O-N 3.35Å; Y45-M57 HydrophobicContact CD1-CE 3.73Å; Y45-M57 HydrophobicContact CE1-CE 3.54Å; Y45-M57 HydrophobicContact CE2-CE 4.4Å; Y45-M57 HydrophobicContact CG-CE 4.2Å
46	R	32.2	Very low	28.8	Very low	146 Å²	146	101.6 Å²	101.6	55%	0.551	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	106.9	166.6	-172.3	-179.2	-174.4	-174.5	4	108.2	D14 T44 N48	D14-R46 IonicContact OD2-CZ 3.51Å; D14-R46 VanDerWaalsContact OD2-CZ 3.27Å; D14-R46 IonicContact OD2-NE 2.9Å; D14-R46 PolarHBondContact OD2-NE 3.03Å; D14-R46 IonicContact OD2-NH2 2.76Å; D14-R46 PolarHBondContact OD2-NH2 3.37Å; T44-R46 PolarHBondContact O-N 3.24Å; R46-N48 PolarHBondContact O-N 3.42Å
47	M	32.5	Very low	29.1	Very low	29 Å²	29	100.1 Å²	100.1	14%	0.143	49%	0.485	C	S	.	.			trans	-77.1	92.7	170.9	-68.2	-161.4	82.9	0	0	109.1	L15 V17 Y45 R49 Y55 I153 I157	L15-M47 HydrophobicContact CD2-SD 4.1Å; V17-M47 HydrophobicContact CG2-CG 4.37Å; V17-M47 HydrophobicContact CG2-SD 3.95Å; Y45-M47 PolarHBondContact O-N 3.35Å; M47-R49 PolarHBondContact O-N 2.87Å; M47-Y55 HydrophobicContact CE-CE2 4.21Å; M47-I153 HydrophobicContact CE-CG2 3.63Å; M47-I153 HydrophobicContact SD-CD1 4.4Å; M47-I153 HydrophobicContact SD-CG2 3.85Å; M47-I157 HydrophobicContact CE-CD1 4.21Å
48	N	31	Very low	29.3	Very low	96 Å²	96	104.2 Å²	104.2	51%	0.513	50%	0.504	S	S	.	.			trans	-73.9	106.7	175.3	-138.5	-10.7	0	0	0	108.3	R46 R50	R46-N48 PolarHBondContact O-N 3.42Å; N48-R50 PolarHBondContact O-N 3.16Å
49	R	35.4	Very low	29.5	Very low	101 Å²	101	99.6 Å²	99.6	38%	0.381	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	15.3	-167.5	-131.2	-179.6	-164.9	-168.6	9.4	116.1	M47 T160 F165	M47-R49 PolarHBondContact O-N 2.87Å; R49-T160 PolarHBondContact NH2-OG1 3.21Å; R49-F165 HydrophobicContact CB-CE2 4.19Å; R49-F165 HydrophobicContact CG-CE2 4.22Å
50	R	29.6	Very low	29.7	Very low	190 Å²	190	101.6 Å²	101.6	72%	0.717	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.6	-8.1	-160.9	-86.3	-177.4	174.5	168.5	4.4	119.1	N48 I254	N48-R50 PolarHBondContact O-N 3.16Å; R50-I254 HydrophobicContact CB-CD1 4.23Å; R50-I254 HydrophobicContact CG-CD1 3.84Å
51	A	27.8	Very low	30	Very low	39 Å²	39	95.2 Å²	95.2	32%	0.322	49%	0.485	S	S	.	.	S	Bend	trans	-166.2	127.3	172.3	0	0	0	0	0	108.9	L181	A51-L181 HydrophobicContact CB-CD1 4.17Å
52	D	28.8	Very low	30	Very low	77 Å²	77	99.1 Å²	99.1	41%	0.412	50%	0.497	S	S	.	.			trans	121.3	69.6	169	-60.6	-27.8	0	0	0	113.3	N54 Y55 L181	D52-N54 PolarHBondContact O-N 2.9Å; D52-Y55 WeakPolarHBondContact O-CE2 3.09Å; D52-L181 WeakPolarHBondContact OD1-CD2 3.28Å; D52-L181 WeakPolarHBondContact OD1-CG 3.4Å
53	Y	26.6	Very low	29.9	Very low	169 Å²	169	100.1 Å²	100.1	66%	0.663	49%	0.493	S	S	*	.			trans	-71.2	23.2	166.1	-75.6	-81.4	0	0	0	113.4	I157	Y53-I157 HydrophobicContact CE1-CG2 4.5Å
54	N	24.8	Very low	30	Very low	123 Å²	123	99.6 Å²	99.6	66%	0.658	49%	0.487	S	S	*	.			trans	-122.5	80.5	174.9	-79	-14.7	0	0	0	109.4	D52	D52-N54 PolarHBondContact O-N 2.9Å
55	Y	28.8	Very low	29.9	Very low	124 Å²	124	98.9 Å²	98.9	49%	0.486	48%	0.482	S	S	.	.			trans	-93.8	95.7	168.9	-65.9	-76	0	0	0	109.9	M47 D52	M47-Y55 HydrophobicContact CE-CE2 4.21Å; D52-Y55 WeakPolarHBondContact O-CE2 3.09Å
56	T	24.1	Very low	29.8	Very low	128 Å²	128	93.8 Å²	93.8	79%	0.785	46%	0.462	S	S	*	.			trans	-89.3	97.7	152.9	25.2	0	0	0	0	107.7	N58	T56-N58 PolarHBondContact O-N 3.19Å
57	M	29.8	Very low	29.8	Very low	67 Å²	67	89.4 Å²	89.4	33%	0.33	45%	0.448	S	S	.	.			trans	-90.6	93.6	163.3	-87.3	-160.2	149.2	0	0	107.9	L19 Y45 S59 F146	L19-M57 HydrophobicContact CD1-CE 4.16Å; Y45-M57 HydrophobicContact CD1-CE 3.73Å; Y45-M57 HydrophobicContact CE1-CE 3.54Å; Y45-M57 HydrophobicContact CE2-CE 4.4Å; Y45-M57 HydrophobicContact CG-CE 4.2Å; M57-S59 PolarHBondContact O-N 3.21Å; M57-F146 HydrophobicContact CB-CE1 4.15Å; M57-F146 HydrophobicContact CB-CE2 4.02Å; M57-F146 HydrophobicContact CB-CZ 3.33Å; M57-F146 HydrophobicContact CG-CE2 4.44Å; M57-F146 HydrophobicContact CG-CZ 4.03Å; M57-F146 HydrophobicContact SD-CE2 3.56Å; M57-F146 VanDerWaalsContact SD-CE2 3.56Å; M57-F146 HydrophobicContact SD-CZ 3.65Å
58	N	26.1	Very low	29.8	Very low	164 Å²	164	89.7 Å²	89.7	88%	0.877	45%	0.449	S	S	*	.			trans	-81.3	91.8	162.7	-81.5	-1.3	0	0	0	106.9	T56	T56-N58 PolarHBondContact O-N 3.19Å
59	S	30.3	Very low	29.7	Very low	51 Å²	51	87.1 Å²	87.1	36%	0.357	45%	0.445	S	S	.	.			trans	-126.3	132	173.4	-167	0	0	0	0	108.9	M57 L61	M57-S59 PolarHBondContact O-N 3.21Å; S59-L61 PolarHBondContact O-N 3.27Å; S59-L61 WeakPolarHBondContact OG-CD1 3.14Å; S59-L61 WeakPolarHBondContact OG-CG 3.23Å
60	S	31.9	Very low	29.4	Very low	125 Å²	125	87.8 Å²	87.8	87%	0.874	45%	0.453	S	S	*	.			trans	-75.3	19.9	172.8	63.8	0	0	0	0	112.5
61	L	35.5	Very low	29.5	Very low	40 Å²	40	85.7 Å²	85.7	21%	0.209	45%	0.449	C	S	.	.			trans	-87	117.3	-177.4	-67.8	170.4	0	0	0	109.1	L19 K21 S59	L19-L61 HydrophobicContact CD1-CD1 4.24Å; K21-L61 HydrophobicContact CB-CD2 4.36Å; K21-L61 HydrophobicContact CG-CD2 4.14Å; S59-L61 PolarHBondContact O-N 3.27Å; S59-L61 WeakPolarHBondContact OG-CD1 3.14Å; S59-L61 WeakPolarHBondContact OG-CG 3.23Å
62	E	30.2	Very low	29.6	Very low	175 Å²	175	86 Å²	86	82%	0.818	46%	0.456	S	S	*	.	S	Bend	trans	-72.7	-34.2	174.2	-67.6	-178.8	160.4	0	0	111.3	F146	E62-F146 PolarHBondContact O-N 2.72Å
63	E	28.7	Very low	29.5	Very low	97 Å²	97	87.4 Å²	87.4	45%	0.453	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152.2	-175.6	-61.3	-170.6	154.9	0	0	112.2	I143	E63-I143 HydrophobicContact CB-CG2 4.05Å; E63-I143 HydrophobicContact CG-CG2 4.46Å; E63-I143 WeakPolarHBondContact OE2-CG2 3.19Å
64	V	32.2	Very low	29.5	Very low	2 Å²	2	87.4 Å²	87.4	1%	0.012	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	135.8	-173.1	-153.2	0	0	0	0	109.2	L19 V66 L144 F146	L19-V64 HydrophobicContact CB-CG1 4.21Å; L19-V64 HydrophobicContact CD2-CG1 3.08Å; L19-V64 HydrophobicContact CG-CG1 4.16Å; V64-V66 HydrophobicContact CB-CG2 4.5Å; V64-L144 PolarHBondContact N-O 3.48Å; V64-L144 PolarHBondContact O-N 2.76Å; V64-F146 HydrophobicContact CG2-CB 3.84Å; V64-F146 HydrophobicContact CG2-CD2 3.64Å; V64-F146 HydrophobicContact CG2-CG 4.23Å
65	I	28.4	Very low	29.6	Very low	25 Å²	25	84.2 Å²	84.2	13%	0.128	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	133.5	165.7	-59.7	-170.7	0	0	0	108.6	G18 V20 T141 L142 I143	G18-I65 CarbonylContact O-C 3.54Å; V20-I65 HydrophobicContact CB-CB 4.21Å; V20-I65 HydrophobicContact CB-CD1 3.65Å; V20-I65 HydrophobicContact CB-CG1 3.95Å; V20-I65 HydrophobicContact CG1-CD1 4.12Å; V20-I65 HydrophobicContact CG2-CB 4.1Å; V20-I65 HydrophobicContact CG2-CD1 3.87Å; V20-I65 HydrophobicContact CG2-CG1 4.27Å; I65-T141 HydrophobicContact CD1-CG2 4.35Å; I65-T141 HydrophobicContact CG2-CG2 3.43Å; I65-T141 VanDerWaalsContact CG2-CG2 3.43Å; I65-L142 CarbonylContact C-O 3.53Å; I65-L142 VanDerWaalsContact CA-O 3.25Å; I65-L142 WeakPolarHBondContact CA-O 3.19Å; I65-I143 HydrophobicContact CG1-CG1 4.36Å
66	V	32	Very low	29.4	Very low	1 Å²	1	82.7 Å²	82.7	1%	0.006	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125.4	176	-167.4	0	0	0	0	109.4	V17 V64 I68 L142 L144 A149	V17-V66 HydrophobicContact CG1-CG1 4.47Å; V64-V66 HydrophobicContact CB-CG2 4.5Å; V66-I68 HydrophobicContact CB-CD1 4.04Å; V66-I68 HydrophobicContact CG1-CD1 3.48Å; V66-I68 VanDerWaalsContact CG1-CD1 3.48Å; V66-I68 HydrophobicContact CG1-CG1 3.7Å; V66-L142 PolarHBondContact N-O 3.44Å; V66-L144 HydrophobicContact CB-CD1 4.23Å; V66-L144 HydrophobicContact CG2-CB 4.44Å; V66-L144 HydrophobicContact CG2-CD1 3.96Å; V66-A149 HydrophobicContact CG2-CB 3.61Å
67	H	31.7	Very low	29.6	Very low	55 Å²	55	85.5 Å²	85.5	26%	0.255	48%	0.479	S	S	.	.			trans	-99.2	105.2	171.6	-62.3	-71.8	0	0	0	108.6
68	I	32.4	Very low	29.4	Very low	34 Å²	34	85 Å²	85	17%	0.174	49%	0.491	C	S	.	.			trans	-108.1	109.5	173.9	-56.2	113.7	0	0	0	108.5	V66 L152 Y513	V66-I68 HydrophobicContact CB-CD1 4.04Å; V66-I68 HydrophobicContact CG1-CD1 3.48Å; V66-I68 VanDerWaalsContact CG1-CD1 3.48Å; V66-I68 HydrophobicContact CG1-CG1 3.7Å; I68-L152 HydrophobicContact CD1-CD2 3.24Å; I68-L152 HydrophobicContact CG1-CD2 3.56Å; I68-Y513 HydrophobicContact CB-CE1 4.17Å; I68-Y513 HydrophobicContact CD1-CE1 4.05Å
69	G	28.6	Very low	29.5	Very low	42 Å²	42	83.4 Å²	83.4	43%	0.433	49%	0.489	S	S	.	.	S	Bend	trans	176	153	175.1	0	0	0	0	0	111.1	K71	G69-K71 PolarHBondContact O-N 2.93Å
70	Q	30.2	Very low	29.4	Very low	116 Å²	116	85.6 Å²	85.6	54%	0.542	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-69.8	126.3	164	-87.1	-179.2	-21.6	0	0	108.3	G72	Q70-G72 PolarHBondContact O-N 3.19Å
71	K	31.4	Very low	29.2	Very low	146 Å²	146	82.2 Å²	82.2	64%	0.635	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-66.8	124.6	163	-168.7	175.6	-178.2	177.6	0	106.8	G69 D73	G69-K71 PolarHBondContact O-N 2.93Å; K71-D73 PolarHBondContact O-N 2.78Å
72	G	28.6	Very low	28.9	Very low	45 Å²	45	86.5 Å²	86.5	46%	0.464	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-53.4	128.5	-169.5	0	0	0	0	0	113.8	Q70	Q70-G72 PolarHBondContact O-N 3.19Å
73	D	28.2	Very low	29.1	Very low	107 Å²	107	86.8 Å²	86.8	57%	0.572	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-68	150.6	172.5	-73.7	-36.3	0	0	0	111.6	K71 G75	K71-D73 PolarHBondContact O-N 2.78Å; D73-G75 PolarHBondContact O-N 3.09Å
74	I	26	Very low	29.2	Very low	168 Å²	168	85.5 Å²	85.5	86%	0.862	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-59.7	119	161.3	-60.7	171.5	0	0	0	106.6
75	G	25.9	Very low	29.2	Very low	56 Å²	56	91.1 Å²	91.1	58%	0.577	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-54.6	143.1	179.3	0	0	0	0	0	111.4	D73	D73-G75 PolarHBondContact O-N 3.09Å
76	P	25.9	Very low	29.4	Very low	93 Å²	93	99 Å²	99	60%	0.604	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-57.2	146.4	176.9	24.7	-33.3	0	0	0	110.3	G78	P76-G78 PolarHBondContact O-N 3.33Å
77	Q	28.4	Very low	29.3	Very low	186 Å²	186	102.2 Å²	102.2	87%	0.869	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-53.5	130	168.7	-165.9	162.4	11	0	0	108.5
78	G	25.7	Very low	29.3	Very low	57 Å²	57	110.2 Å²	110.2	59%	0.588	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-54.5	155.8	-178.8	0	0	0	0	0	111.8	P76	P76-G78 PolarHBondContact O-N 3.33Å
79	P	27.3	Very low	29.3	Very low	130 Å²	130	113 Å²	113	84%	0.844	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-55.2	145.8	177.6	25.2	-33.4	0	0	0	110.5	G81	P79-G81 PolarHBondContact O-N 3.07Å
80	A	28.6	Very low	29.5	Very low	97 Å²	97	116 Å²	116	80%	0.802	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-54.5	138.1	167.5	0	0	0	0	0	108.9
81	G	26.7	Very low	29.6	Very low	55 Å²	55	116.3 Å²	116.3	57%	0.567	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-56.5	159	174.7	0	0	0	0	0	111.5	P79 H83	P79-G81 PolarHBondContact O-N 3.07Å; G81-H83 PolarHBondContact O-N 2.82Å
82	P	30	Very low	29.7	Very low	130 Å²	130	113.9 Å²	113.9	84%	0.844	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-53.4	139	176.1	23.7	-32.6	0	0	0	110.2	G84	P82-G84 PolarHBondContact O-N 3.41Å
83	H	35.2	Very low	29.8	Very low	180 Å²	180	117.2 Å²	117.2	83%	0.833	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-58.2	127	168.3	-83.3	15.2	0	0	0	108.6	G81	G81-H83 PolarHBondContact O-N 2.82Å
84	G	29	Very low	29.9	Very low	70 Å²	70	114.6 Å²	114.6	72%	0.722	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-57.5	151.1	171.4	0	0	0	0	0	110.4	P82 M86	P82-G84 PolarHBondContact O-N 3.41Å; G84-M86 PolarHBondContact O-N 2.82Å
85	S	33	Very low	30.2	Very low	121 Å²	121	111.7 Å²	111.7	85%	0.846	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-52.3	137.9	175.3	41.8	0	0	0	0	111.2	G87	S85-G87 PolarHBondContact O-N 3.34Å; S85-G87 VanDerWaalsContact O-N 3.12Å
86	M	33.2	Very low	30.6	Very low	190 Å²	190	115.1 Å²	115.1	94%	0.936	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-54.4	117.3	170.9	-90	-176.7	-61.6	0	0	109.8	G84	G84-M86 PolarHBondContact O-N 2.82Å
87	G	29.8	Very low	31.1	Very low	68 Å²	68	118.5 Å²	118.5	70%	0.701	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-70.6	130.2	164.8	0	0	0	0	0	109.9	S85	S85-G87 PolarHBondContact O-N 3.34Å; S85-G87 VanDerWaalsContact O-N 3.12Å
88	Y	31.3	Very low	31.5	Very low	224 Å²	224	115.7 Å²	115.7	88%	0.878	72%	0.715	S	S	*	*			trans	-86.5	114.3	175.9	-154.2	-91.9	0	0	0	108.7
89	C	33.2	Very low	31.8	Very low	92 Å²	92	121.7 Å²	121.7	62%	0.622	73%	0.73	S	S	*	*			trans	-100.1	114.8	172.6	-79.2	0	0	0	0	109.8
90	P	32.9	Very low	32.1	Very low	104 Å²	104	120 Å²	120	68%	0.675	72%	0.721	S	S	*	*			trans	-68.7	148.6	172.9	28.6	-30.6	0	0	0	110.9	T92	P90-T92 PolarHBondContact O-N 3.25Å
91	E	31.2	Very low	32.3	Very low	124 Å²	124	119.4 Å²	119.4	58%	0.579	71%	0.71	S	S	*	*			trans	-57	124.3	177.1	-80.3	175.3	166.9	0	0	112.3	R117	E91-R117 IonicContact OE1-CZ 3.26Å; E91-R117 IonicContact OE1-NH1 2.67Å; E91-R117 PolarHBondContact OE1-NH1 2.98Å; E91-R117 IonicContact OE1-NH2 3.09Å; E91-R117 PolarHBondContact OE1-NH2 3.13Å
92	T	33.1	Very low	32.6	Very low	95 Å²	95	126.5 Å²	126.5	58%	0.583	73%	0.726	S	S	*	*			trans	162.6	119.8	131.9	35	0	0	0	0	115.1	P90 C115	P90-T92 PolarHBondContact O-N 3.25Å; T92-C115 VanDerWaalsContact C-CB 3.44Å; T92-C115 WeakPolarHBondContact O-CB 3.23Å; T92-C115 PolarHBondContact O-SG 3.24Å; T92-C115 VanDerWaalsContact O-SG 3.39Å
93	I	30.7	Very low	32.6	Very low	115 Å²	115	130.6 Å²	130.6	59%	0.59	73%	0.731	S	S	*	*			trans	71	119.4	134.4	-48.6	159.8	0	0	0	117.9	C115 D116	I93-C115 CarbonylContact C-O 3.54Å; I93-D116 WeakPolarHBondContact CA-OD1 3.42Å; I93-D116 WeakPolarHBondContact CA-OD2 3.41Å; I93-D116 PolarHBondContact N-OD1 3.17Å
94	C	30.8	Very low	32.2	Very low	51 Å²	51	125.3 Å²	125.3	35%	0.345	73%	0.725	S	S	.	*			trans	164.1	156.5	134.6	-89.1	0	0	0	0	117.9	W114 C115 D116	C94-W114 HydrophobicContact CB-CE3 4.31Å; C94-C115 CarbonylContact C-O 3.55Å; C94-C115 WeakPolarHBondContact CA-O 3.41Å; C94-C115 PolarHBondContact N-O 3.49Å; C94-C115 VanDerWaalsContact O-O 3.13Å; C94-D116 PolarHBondContact N-OD2 2.91Å
95	P	31.7	Very low	32.3	Very low	108 Å²	108	130 Å²	130	70%	0.701	73%	0.731	S	S	*	*			trans	-99.8	176.3	-142.3	41.8	-37.6	0	0	0	116.5
96	P	34.2	Very low	32.2	Very low	128 Å²	128	133.4 Å²	133.4	83%	0.831	73%	0.734	S	S	*	*			trans	-91.6	138.5	-161.3	35.7	-30.3	0	0	0	113.8
97	I	38.2	Very low	31.9	Very low	163 Å²	163	127.8 Å²	127.8	84%	0.836	73%	0.725	S	S	*	*			trans	-131.4	136.9	171.1	-58.8	180	0	0	0	112.2
98	D	35.9	Very low	32	Very low	128 Å²	128	133.9 Å²	133.9	68%	0.684	74%	0.735	S	S	*	*			trans	-54.4	137.4	-173.9	-175.2	17.2	0	0	0	115.8	S100	D98-S100 PolarHBondContact OD2-OG 3.07Å; D98-S100 VanDerWaalsContact OD2-OG 3.09Å
99	M	32.8	Very low	32	Very low	183 Å²	183	129.8 Å²	129.8	90%	0.901	73%	0.734	S	S	*	*			trans	-104.6	28.7	-170.8	-72.9	-134.3	-70.3	0	0	114.2	S101	M99-S101 PolarHBondContact O-N 3.14Å
100	S	32	Very low	31.7	Very low	95 Å²	95	129.4 Å²	129.4	66%	0.664	75%	0.745	S	S	*	*	S	Bend	trans	-86.1	-0.5	-169.7	55.7	0	0	0	0	116.6	D98	D98-S100 PolarHBondContact OD2-OG 3.07Å; D98-S100 VanDerWaalsContact OD2-OG 3.09Å
101	S	32.7	Very low	31.5	Very low	83 Å²	83	129.9 Å²	129.9	58%	0.58	75%	0.751	S	S	*	*	S	Bend	trans	-130.2	-2.5	-164	53.2	0	0	0	0	119.9	M99	M99-S101 PolarHBondContact O-N 3.14Å
102	F	33.8	Very low	31.5	Very low	205 Å²	205	129.6 Å²	129.6	90%	0.899	76%	0.763	S	S	*	*			trans	-112.8	84.6	-172.5	-74.4	-85.2	0	0	0	114.9
103	K	29.8	Very low	31.5	Very low	215 Å²	215	132.9 Å²	132.9	94%	0.935	77%	0.772	S	S	*	*			trans	-86.7	115.7	153.6	-96.1	178.9	175.5	174.4	0	108.1
104	G	26.7	Very low	31.6	Very low	69 Å²	69	137.4 Å²	137.4	71%	0.711	78%	0.781	S	S	*	*			trans	145.1	120.4	161.3	0	0	0	0	0	116.3
105	I	31	Very low	31.4	Very low	168 Å²	168	137.3 Å²	137.3	86%	0.862	78%	0.78	S	S	*	*			trans	58.7	103.7	145.7	-39.5	176.4	0	0	0	118.2
106	Q	30.5	Very low	31.4	Very low	193 Å²	193	137 Å²	137	90%	0.902	77%	0.773	S	S	*	*			trans	8.3	114.6	148.5	-164.8	165.8	1.5	0	0	117.8
107	G	28.6	Very low	31.2	Very low	72 Å²	72	138.8 Å²	138.8	74%	0.742	76%	0.763	S	S	*	*			trans	-99.9	151.7	167.5	0	0	0	0	0	112.8
108	E	30.8	Very low	30.8	Very low	196 Å²	196	136.1 Å²	136.1	92%	0.916	76%	0.759	S	S	*	*			trans	-97.1	116.5	151.9	-82.5	-170.1	163.9	0	0	110
109	T	31.6	Very low	30.2	Very low	139 Å²	139	135.1 Å²	135.1	85%	0.853	76%	0.761	S	S	*	*			trans	19.9	136.4	151.3	39.3	0	0	0	0	124.4
110	G	27.2	Very low	30.2	Very low	83 Å²	83	135.4 Å²	135.4	86%	0.856	76%	0.757	S	S	*	*			trans	110.4	134.5	155.3	0	0	0	0	0	112
111	S	29.3	Very low	30	Very low	115 Å²	115	136.8 Å²	136.8	80%	0.804	76%	0.761	S	S	*	*			cis	-148.6	169.8	16.4	64.3	0	0	0	0	110.4
112	S	30	Very low	29.7	Very low	117 Å²	117	140.6 Å²	140.6	82%	0.818	77%	0.774	S	S	*	*			trans	-83.1	113.9	179.4	51.9	0	0	0	0	112.3
113	E	32.9	Very low	29.6	Very low	165 Å²	165	137.9 Å²	137.9	77%	0.771	77%	0.768	S	S	*	*			trans	-143.2	121.9	161.4	-110.7	178	-158.2	0	0	108.8
114	W	33.7	Very low	29.4	Very low	209 Å²	209	130.6 Å²	130.6	79%	0.792	76%	0.755	S	S	*	*			trans	102.6	99	162.6	-55.6	24.5	0	0	0	116.5	C94	C94-W114 HydrophobicContact CB-CE3 4.31Å
115	C	26.1	Very low	29.3	Very low	49 Å²	49	136.3 Å²	136.3	33%	0.331	77%	0.765	S	S	.	*			trans	-47.3	150.5	172.7	-68.4	0	0	0	0	113.6	T92 I93 C94	T92-C115 VanDerWaalsContact C-CB 3.44Å; T92-C115 WeakPolarHBondContact O-CB 3.23Å; T92-C115 PolarHBondContact O-SG 3.24Å; T92-C115 VanDerWaalsContact O-SG 3.39Å; I93-C115 CarbonylContact C-O 3.54Å; C94-C115 CarbonylContact C-O 3.55Å; C94-C115 WeakPolarHBondContact CA-O 3.41Å; C94-C115 PolarHBondContact N-O 3.49Å; C94-C115 VanDerWaalsContact O-O 3.13Å
116	D	31.6	Very low	29.2	Very low	101 Å²	101	136 Å²	136	54%	0.54	76%	0.764	S	S	.	*				-144.5	119.9	64.7	-83.9	-42.6	0	0	0	115.3	I93 C94	I93-D116 WeakPolarHBondContact CA-OD1 3.42Å; I93-D116 WeakPolarHBondContact CA-OD2 3.41Å; I93-D116 PolarHBondContact N-OD1 3.17Å; C94-D116 PolarHBondContact N-OD2 2.91Å
117	R	30.9	Very low	28.9	Very low	166 Å²	166	129.7 Å²	129.7	63%	0.626	75%	0.751	S	S	*	*	S	Bend	trans	23	120.8	147.7	-64.7	171.4	158.1	-156.9	-25.1	118.7	E91	E91-R117 IonicContact OE1-CZ 3.26Å; E91-R117 IonicContact OE1-NH1 2.67Å; E91-R117 PolarHBondContact OE1-NH1 2.98Å; E91-R117 IonicContact OE1-NH2 3.09Å; E91-R117 PolarHBondContact OE1-NH2 3.13Å
118	S	28.7	Very low	28.8	Very low	107 Å²	107	134.5 Å²	134.5	75%	0.748	76%	0.758	S	S	*	*			cis	-128.4	133.1	47.2	60	0	0	0	0	113.1	K120	S118-K120 PolarHBondContact O-N 3.04Å
119	C	24.4	Very low	28.7	Very low	107 Å²	107	135 Å²	135	72%	0.723	76%	0.758	S	S	*	*			trans	-48.5	99	-178.4	-54.4	0	0	0	0	113	T121	C119-T121 PolarHBondContact O-N 2.9Å
120	K	31.5	Very low	28.3	Very low	190 Å²	190	131.7 Å²	131.7	83%	0.826	75%	0.75	S	S	*	*			trans	-73.5	111.1	160.8	-82.5	-178.6	177.9	174.6	0	106.6	S118 I122	S118-K120 PolarHBondContact O-N 3.04Å; K120-I122 PolarHBondContact O-N 3.15Å
121	T	27.6	Very low	28.2	Very low	123 Å²	123	135.9 Å²	135.9	76%	0.755	75%	0.752	S	S	*	*			trans	-42.7	113.6	159.9	37.6	0	0	0	0	108.2	C119 D123	C119-T121 PolarHBondContact O-N 2.9Å; T121-D123 PolarHBondContact O-N 2.75Å; T121-D123 VanDerWaalsContact O-N 3.13Å
122	I	26.3	Very low	28.1	Very low	163 Å²	163	140.1 Å²	140.1	84%	0.836	76%	0.755	S	S	*	*			trans	-65.6	112.1	170	-62.2	170.6	0	0	0	104.8	K120 G124	K120-I122 PolarHBondContact O-N 3.15Å; I122-G124 PolarHBondContact O-N 3.41Å
123	D	32.8	Very low	27.9	Very low	148 Å²	148	137.7 Å²	137.7	79%	0.791	75%	0.749	S	S	*	*			trans	-56.2	112.3	168.8	-82.3	-31.6	0	0	0	107	T121	T121-D123 PolarHBondContact O-N 2.75Å; T121-D123 VanDerWaalsContact O-N 3.13Å
124	G	24.4	Very low	27.5	Very low	63 Å²	63	138.1 Å²	138.1	65%	0.649	76%	0.756	S	S	*	*			trans	-54.7	145.3	175.6	0	0	0	0	0	109.9	I122 I126	I122-G124 PolarHBondContact O-N 3.41Å; G124-I126 PolarHBondContact O-N 3.35Å
125	M	25.5	Very low	27.2	Very low	189 Å²	189	137.7 Å²	137.7	93%	0.931	76%	0.76	S	S	*	*			trans	-39.7	125	-177.6	-72.4	-177.7	85.1	0	0	111.4	G127	M125-G127 PolarHBondContact O-N 2.73Å
126	I	28.9	Very low	27.2	Very low	161 Å²	161	137.3 Å²	137.3	83%	0.826	76%	0.764	S	S	*	*			trans	-53.2	113.3	170.1	-63.8	170.9	0	0	0	106.8	G124 L128	G124-I126 PolarHBondContact O-N 3.35Å; I126-L128 PolarHBondContact O-N 3.34Å
127	G	24.2	Very low	27	Very low	61 Å²	61	139.7 Å²	139.7	63%	0.629	78%	0.777	S	S	*	*			trans	-53.1	137.5	177.5	0	0	0	0	0	110.4	M125 K129	M125-G127 PolarHBondContact O-N 2.73Å; G127-K129 PolarHBondContact O-N 3.14Å
128	L	25.9	Very low	26.9	Very low	173 Å²	173	139.1 Å²	139.1	91%	0.906	78%	0.783	S	S	*	*			trans	-43.5	134.9	177.3	-75	163.4	0	0	0	110.8	I126 G130	I126-L128 PolarHBondContact O-N 3.34Å; L128-G130 PolarHBondContact O-N 2.8Å
129	K	29	Very low	27	Very low	207 Å²	207	135.2 Å²	135.2	90%	0.9	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-51.5	117.3	177.6	-145.4	176.5	-170.3	175.9	0	108.6	G127	G127-K129 PolarHBondContact O-N 3.14Å
130	G	23.8	Very low	27.3	Very low	68 Å²	68	135.8 Å²	135.8	70%	0.701	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-54.8	144.5	179.7	0	0	0	0	0	111.7	L128 K132	L128-G130 PolarHBondContact O-N 2.8Å; G130-K132 PolarHBondContact O-N 2.95Å
131	I	25	Very low	27.3	Very low	172 Å²	172	131 Å²	131	88%	0.882	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-55.7	132.1	179	-45.7	169.8	0	0	0	108.8	G133	I131-G133 PolarHBondContact O-N 3.34Å
132	K	27.6	Very low	27.6	Very low	203 Å²	203	126.4 Å²	126.4	88%	0.883	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-54.8	120.3	177	-161.1	177.6	-173.9	179.5	0	109.2	G130	G130-K132 PolarHBondContact O-N 2.95Å
133	G	25.4	Very low	27.9	Very low	67 Å²	67	123.5 Å²	123.5	69%	0.691	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-59.2	142.9	177.6	0	0	0	0	0	111.9	I131	I131-G133 PolarHBondContact O-N 3.34Å
134	L	25.3	Very low	28.2	Very low	174 Å²	174	117.4 Å²	117.4	91%	0.911	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-56.7	141	171.7	-71.1	161.2	0	0	0	109.7	G136	L134-G136 PolarHBondContact O-N 3.34Å
135	K	26.3	Very low	29	Very low	200 Å²	200	116.2 Å²	116.2	87%	0.87	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-47.4	127.2	174.1	-79.9	176.9	174.7	176	0	109.2	D137	K135-D137 PolarHBondContact O-N 3.11Å
136	G	27	Very low	29.6	Very low	40 Å²	40	109.4 Å²	109.4	41%	0.412	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-61.7	130.4	173.8	0	0	0	0	0	110.6	L134	L134-G136 PolarHBondContact O-N 3.34Å
137	D	26.1	Very low	30.3	Very low	152 Å²	152	105 Å²	105	81%	0.813	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-57.3	135.5	177.2	-67.2	-38.3	0	0	0	110.3	K135 G139	K135-D137 PolarHBondContact O-N 3.11Å; D137-G139 PolarHBondContact O-N 3.47Å
138	M	29.2	Very low	31.4	Very low	153 Å²	153	107.6 Å²	107.6	75%	0.754	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-60.5	134.6	166	-67.9	-168.2	-172.4	0	0	107.8
139	G	30.8	Very low	32.2	Very low	25 Å²	25	99.6 Å²	99.6	26%	0.258	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-55.2	153.2	170.1	0	0	0	0	0	110.8	D137 T141	D137-G139 PolarHBondContact O-N 3.47Å; G139-T141 PolarHBondContact O-N 3.38Å
140	D	30.1	Very low	33	Very low	119 Å²	119	92.1 Å²	92.1	64%	0.636	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-48.6	127.5	-174.2	-66.8	-34.7	0	0	0	112	L142 Y513	D140-L142 PolarHBondContact O-N 3.08Å; D140-L142 VanDerWaalsContact O-N 3.11Å; D140-Y513 PolarHBondContact O-OH 3.33Å
141	T	31.4	Very low	34.1	Very low	90 Å²	90	93.4 Å²	93.4	55%	0.552	51%	0.506	S	S	*	.			trans	-66.2	109.5	175.2	-52	0	0	0	0	109.2	I65 G139	I65-T141 HydrophobicContact CD1-CG2 4.35Å; I65-T141 HydrophobicContact CG2-CG2 3.43Å; I65-T141 VanDerWaalsContact CG2-CG2 3.43Å; G139-T141 PolarHBondContact O-N 3.38Å
142	L	34.9	Very low	35	Very low	26 Å²	26	85.6 Å²	85.6	14%	0.136	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.7	176.4	-73.2	176.4	0	0	0	111.5	I65 V66 D140 L144 F496 Y513	I65-L142 CarbonylContact C-O 3.53Å; I65-L142 VanDerWaalsContact CA-O 3.25Å; I65-L142 WeakPolarHBondContact CA-O 3.19Å; V66-L142 PolarHBondContact N-O 3.44Å; D140-L142 PolarHBondContact O-N 3.08Å; D140-L142 VanDerWaalsContact O-N 3.11Å; L142-L144 HydrophobicContact CB-CD1 4.47Å; L142-L144 HydrophobicContact CB-CG 4.09Å; L142-L144 HydrophobicContact CD1-CD1 4.25Å; L142-L144 HydrophobicContact CD1-CD2 4.47Å; L142-L144 HydrophobicContact CD1-CG 4.43Å; L142-F496 HydrophobicContact CD2-CE1 4.34Å; L142-F496 HydrophobicContact CD2-CZ 4.29Å; L142-Y513 HydrophobicContact CD1-CD1 4.44Å; L142-Y513 HydrophobicContact CD1-CD2 3.93Å; L142-Y513 HydrophobicContact CD1-CE1 3.82Å; L142-Y513 HydrophobicContact CD1-CE2 3.27Å; L142-Y513 HydrophobicContact CD1-CG 4.48Å; L142-Y513 VanDerWaalsContact CD1-OH 3.3Å; L142-Y513 WeakPolarHBondContact CD1-OH 3.27Å; L142-Y513 HydrophobicContact CD2-CE2 3.87Å; L142-Y513 HydrophobicContact CG-CE2 3.68Å; L142-Y513 WeakPolarHBondContact CG-OH 3.07Å
143	I	33.3	Very low	35.9	Very low	102 Å²	102	76.9 Å²	76.9	52%	0.523	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	108.9	162.8	-56.2	174	0	0	0	107.1	E63 I65	E63-I143 HydrophobicContact CB-CG2 4.05Å; E63-I143 HydrophobicContact CG-CG2 4.46Å; E63-I143 WeakPolarHBondContact OE2-CG2 3.19Å; I65-I143 HydrophobicContact CG1-CG1 4.36Å
144	L	38.8	Very low	36.8	Very low	20 Å²	20	79.4 Å²	79.4	11%	0.105	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	139.9	177.6	-67	174.9	0	0	0	109.5	V64 V66 L142 F146 K148 A149	V64-L144 PolarHBondContact N-O 3.48Å; V64-L144 PolarHBondContact O-N 2.76Å; V66-L144 HydrophobicContact CB-CD1 4.23Å; V66-L144 HydrophobicContact CG2-CB 4.44Å; V66-L144 HydrophobicContact CG2-CD1 3.96Å; L142-L144 HydrophobicContact CB-CD1 4.47Å; L142-L144 HydrophobicContact CB-CG 4.09Å; L142-L144 HydrophobicContact CD1-CD1 4.25Å; L142-L144 HydrophobicContact CD1-CD2 4.47Å; L142-L144 HydrophobicContact CD1-CG 4.43Å; L144-F146 PolarHBondContact O-N 2.82Å; L144-K148 HydrophobicContact CB-CB 4.47Å; L144-K148 HydrophobicContact CD2-CB 4.42Å; L144-A149 HydrophobicContact CB-CB 4.16Å; L144-A149 HydrophobicContact CD1-CB 4.32Å
145	S	39.8	Very low	37.7	Very low	39 Å²	39	73.8 Å²	73.8	27%	0.273	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	143.1	161.4	62.2	0	0	0	0	109.3	S147 K148 A149	S145-S147 PolarHBondContact O-N 2.78Å; S145-S147 PolarHBondContact OG-OG 3.34Å; S145-K148 PolarHBondContact O-N 3.24Å; S145-K148 WeakPolarHBondContact OG-CB 3.36Å; S145-K148 WeakPolarHBondContact OG-CD 3.36Å; S145-K148 VanDerWaalsContact OG-CG 3.29Å; S145-K148 WeakPolarHBondContact OG-CG 3.48Å; S145-A149 PolarHBondContact O-N 2.89Å; S145-A149 VanDerWaalsContact O-N 3.12Å
146	F	39.3	Very low	38.4	Very low	45 Å²	45	66.1 Å²	66.1	20%	0.197	36%	0.358	C	S	.	.	H	α-helix	trans	-49.9	-39.4	-177.3	-174.8	-93	0	0	0	114	M57 E62 V64 L144 A149 L150	M57-F146 HydrophobicContact CB-CE1 4.15Å; M57-F146 HydrophobicContact CB-CE2 4.02Å; M57-F146 HydrophobicContact CB-CZ 3.33Å; M57-F146 HydrophobicContact CG-CE2 4.44Å; M57-F146 HydrophobicContact CG-CZ 4.03Å; M57-F146 HydrophobicContact SD-CE2 3.56Å; M57-F146 VanDerWaalsContact SD-CE2 3.56Å; M57-F146 HydrophobicContact SD-CZ 3.65Å; E62-F146 PolarHBondContact O-N 2.72Å; V64-F146 HydrophobicContact CG2-CB 3.84Å; V64-F146 HydrophobicContact CG2-CD2 3.64Å; V64-F146 HydrophobicContact CG2-CG 4.23Å; L144-F146 PolarHBondContact O-N 2.82Å; F146-A149 PolarHBondContact O-N 3.15Å; F146-L150 HydrophobicContact CE1-CD2 4.45Å; F146-L150 WeakPolarHBondContact O-CB 3.36Å; F146-L150 PolarHBondContact O-N 3.12Å
147	S	43.9	Very low	39.1	Very low	68 Å²	68	66.7 Å²	66.7	48%	0.476	35%	0.351	S	S	.	.	H	α-helix	trans	-63.5	-43.7	178.3	60.5	0	0	0	0	113.4	S145 L150 Q151	S145-S147 PolarHBondContact O-N 2.78Å; S145-S147 PolarHBondContact OG-OG 3.34Å; S147-L150 PolarHBondContact O-N 3.38Å; S147-Q151 WeakPolarHBondContact O-CG 3.49Å; S147-Q151 PolarHBondContact O-N 3.24Å
148	K	46.1	Very low	39.7	Very low	116 Å²	116	66 Å²	66	50%	0.504	35%	0.347	S	S	.	.	H	α-helix	trans	-66.7	-41.7	177.1	-72.3	179.9	-179.2	178.4	0	111.7	L144 S145 Q151 L152	L144-K148 HydrophobicContact CB-CB 4.47Å; L144-K148 HydrophobicContact CD2-CB 4.42Å; S145-K148 PolarHBondContact O-N 3.24Å; S145-K148 WeakPolarHBondContact OG-CB 3.36Å; S145-K148 WeakPolarHBondContact OG-CD 3.36Å; S145-K148 VanDerWaalsContact OG-CG 3.29Å; S145-K148 WeakPolarHBondContact OG-CG 3.48Å; K148-Q151 PolarHBondContact O-N 3.31Å; K148-L152 WeakPolarHBondContact O-CB 3.36Å; K148-L152 PolarHBondContact O-N 2.86Å
149	A	43.5	Very low	40.1	Very low	5 Å²	5	62.7 Å²	62.7	4%	0.041	33%	0.332	C	S	.	.	H	α-helix	trans	-58.7	-47.5	174.2	0	0	0	0	0	111.3	V66 L144 S145 F146 Q151 L152 I153	V66-A149 HydrophobicContact CG2-CB 3.61Å; L144-A149 HydrophobicContact CB-CB 4.16Å; L144-A149 HydrophobicContact CD1-CB 4.32Å; S145-A149 PolarHBondContact O-N 2.89Å; S145-A149 VanDerWaalsContact O-N 3.12Å; F146-A149 PolarHBondContact O-N 3.15Å; A149-Q151 PolarHBondContact O-N 3.07Å; A149-L152 PolarHBondContact O-N 3.07Å; A149-I153 WeakPolarHBondContact O-CD1 3.15Å; A149-I153 VanDerWaalsContact O-CG1 3.25Å; A149-I153 WeakPolarHBondContact O-CG1 3.15Å; A149-I153 PolarHBondContact O-N 3.33Å
150	L	44.4	Very low	40.3	Very low	51 Å²	51	63.9 Å²	63.9	27%	0.267	33%	0.334	S	S	.	.	H	α-helix	trans	-64.2	-39.4	178.5	-172.6	68.8	0	0	0	112.7	F146 S147 K154	F146-L150 HydrophobicContact CE1-CD2 4.45Å; F146-L150 WeakPolarHBondContact O-CB 3.36Å; F146-L150 PolarHBondContact O-N 3.12Å; S147-L150 PolarHBondContact O-N 3.38Å; L150-K154 HydrophobicContact CG-CD 4.39Å; L150-K154 WeakPolarHBondContact O-CB 3.48Å; L150-K154 VanDerWaalsContact O-CG 3.29Å; L150-K154 WeakPolarHBondContact O-CG 3.41Å; L150-K154 PolarHBondContact O-N 2.82Å
151	Q	47.1	Very low	40.4	Very low	94 Å²	94	60.8 Å²	60.8	44%	0.439	32%	0.322	S	S	.	.	H	α-helix	trans	-64	-44.1	175.8	-77.6	177.2	-0.3	0	0	111.9	S147 K148 A149 K154 Y155	S147-Q151 WeakPolarHBondContact O-CG 3.49Å; S147-Q151 PolarHBondContact O-N 3.24Å; K148-Q151 PolarHBondContact O-N 3.31Å; A149-Q151 PolarHBondContact O-N 3.07Å; Q151-K154 PolarHBondContact O-N 3.12Å; Q151-Y155 WeakPolarHBondContact O-CB 3.32Å; Q151-Y155 PolarHBondContact O-N 2.96Å
152	L	45.6	Very low	40.5	Very low	9 Å²	9	60.3 Å²	60.3	5%	0.047	32%	0.322	C	S	.	.	H	α-helix	trans	-63.3	-44.2	177.4	-172.8	125	0	0	0	111.3	I68 K148 A149 K154 Y155 T156 F483	I68-L152 HydrophobicContact CD1-CD2 3.24Å; I68-L152 HydrophobicContact CG1-CD2 3.56Å; K148-L152 WeakPolarHBondContact O-CB 3.36Å; K148-L152 PolarHBondContact O-N 2.86Å; A149-L152 PolarHBondContact O-N 3.07Å; L152-K154 PolarHBondContact O-N 3.26Å; L152-Y155 PolarHBondContact O-N 2.67Å; L152-T156 WeakPolarHBondContact O-CB 3.41Å; L152-T156 PolarHBondContact O-N 3.4Å; L152-T156 PolarHBondContact O-OG1 3.13Å; L152-F483 HydrophobicContact CB-CE2 4.09Å; L152-F483 HydrophobicContact CB-CZ 3.74Å; L152-F483 HydrophobicContact CD1-CD1 4.23Å; L152-F483 HydrophobicContact CD1-CE1 3.45Å; L152-F483 VanDerWaalsContact CD1-CE1 3.45Å; L152-F483 HydrophobicContact CD1-CE2 3.94Å; L152-F483 HydrophobicContact CD1-CZ 3.3Å; L152-F483 HydrophobicContact CG-CE2 4.33Å; L152-F483 HydrophobicContact CG-CZ 3.99Å
153	I	45.4	Very low	40.3	Very low	19 Å²	19	63.6 Å²	63.6	10%	0.097	34%	0.34	C	S	.	.	H	α-helix	trans	-58.7	-48.9	174.5	-70.2	165.2	0	0	0	110.9	V17 M47 A149 Y155 T156 I157	V17-I153 HydrophobicContact CG2-CD1 3.92Å; M47-I153 HydrophobicContact CE-CG2 3.63Å; M47-I153 HydrophobicContact SD-CD1 4.4Å; M47-I153 HydrophobicContact SD-CG2 3.85Å; A149-I153 WeakPolarHBondContact O-CD1 3.15Å; A149-I153 VanDerWaalsContact O-CG1 3.25Å; A149-I153 WeakPolarHBondContact O-CG1 3.15Å; A149-I153 PolarHBondContact O-N 3.33Å; I153-Y155 VanDerWaalsContact C-N 3.34Å; I153-Y155 PolarHBondContact O-N 2.76Å; I153-T156 PolarHBondContact O-N 2.9Å; I153-I157 HydrophobicContact CG2-CD1 3.65Å; I153-I157 WeakPolarHBondContact O-CB 3.4Å; I153-I157 WeakPolarHBondContact O-CD1 3.31Å; I153-I157 WeakPolarHBondContact O-CG1 3.24Å; I153-I157 PolarHBondContact O-N 2.77Å
154	K	44.4	Very low	40.2	Very low	121 Å²	121	67.8 Å²	67.8	53%	0.526	35%	0.35	S	S	.	.	H	α-helix	trans	-60.9	-41.7	178.1	-76.7	175.8	177.6	-178.6	0	112.2	L150 Q151 L152 I157 N158	L150-K154 HydrophobicContact CG-CD 4.39Å; L150-K154 WeakPolarHBondContact O-CB 3.48Å; L150-K154 VanDerWaalsContact O-CG 3.29Å; L150-K154 WeakPolarHBondContact O-CG 3.41Å; L150-K154 PolarHBondContact O-N 2.82Å; Q151-K154 PolarHBondContact O-N 3.12Å; L152-K154 PolarHBondContact O-N 3.26Å; K154-I157 PolarHBondContact O-N 3.25Å; K154-N158 WeakPolarHBondContact O-CB 3.33Å; K154-N158 PolarHBondContact O-N 3.33Å
155	Y	44	Very low	39.7	Very low	55 Å²	55	70.3 Å²	70.3	22%	0.216	36%	0.361	C	S	.	.	H	α-helix	trans	-65.6	-49.1	179.4	-173.8	-108.2	0	0	0	111.1	Q151 L152 I153 I157 N158 I159 G479 G480 L498	Q151-Y155 WeakPolarHBondContact O-CB 3.32Å; Q151-Y155 PolarHBondContact O-N 2.96Å; L152-Y155 PolarHBondContact O-N 2.67Å; I153-Y155 VanDerWaalsContact C-N 3.34Å; I153-Y155 PolarHBondContact O-N 2.76Å; Y155-I157 VanDerWaalsContact C-N 3.29Å; Y155-I157 PolarHBondContact O-N 2.98Å; Y155-N158 PolarHBondContact O-N 3.11Å; Y155-I159 HydrophobicContact CD1-CD1 3.45Å; Y155-I159 VanDerWaalsContact CD1-CD1 3.45Å; Y155-I159 HydrophobicContact CD1-CG1 4.32Å; Y155-I159 HydrophobicContact CD2-CD1 4.44Å; Y155-I159 HydrophobicContact CE1-CD1 2.98Å; Y155-I159 HydrophobicContact CE1-CG1 3.92Å; Y155-I159 HydrophobicContact CE2-CD1 4.07Å; Y155-I159 HydrophobicContact CE2-CG1 4.1Å; Y155-I159 HydrophobicContact CG-CD1 4.15Å; Y155-I159 VanDerWaalsContact O-CG1 3.28Å; Y155-I159 WeakPolarHBondContact O-CG1 3.45Å; Y155-I159 PolarHBondContact O-N 3.34Å; Y155-G479 VanDerWaalsContact CZ-C 3.41Å; Y155-G479 WeakPolarHBondContact OH-CA 3.33Å; Y155-G480 VanDerWaalsContact CE2-CA 3.49Å; Y155-G480 PolarHBondContact OH-N 3.46Å; Y155-L498 HydrophobicContact CD1-CD1 4.03Å; Y155-L498 HydrophobicContact CE1-CD1 3.39Å
156	T	41.1	Very low	39.1	Very low	40 Å²	40	73.1 Å²	73.1	25%	0.245	38%	0.378	C	S	.	.	H	α-helix	trans	-57.7	-41.7	175.9	-57	0	0	0	0	111.7	L152 I153 T160	L152-T156 WeakPolarHBondContact O-CB 3.41Å; L152-T156 PolarHBondContact O-N 3.4Å; L152-T156 PolarHBondContact O-OG1 3.13Å; I153-T156 PolarHBondContact O-N 2.9Å; T156-T160 WeakPolarHBondContact O-CB 2.97Å; T156-T160 PolarHBondContact O-N 3.06Å; T156-T160 VanDerWaalsContact O-N 3.08Å; T156-T160 PolarHBondContact O-OG1 3.02Å
157	I	42.1	Very low	38.5	Very low	52 Å²	52	80.7 Å²	80.7	27%	0.267	41%	0.411	S	S	.	.	H	α-helix	trans	-66.3	-38.7	175.6	-68.2	167.5	0	0	0	111.9	M47 Y53 I153 K154 Y155 T160	M47-I157 HydrophobicContact CE-CD1 4.21Å; Y53-I157 HydrophobicContact CE1-CG2 4.5Å; I153-I157 HydrophobicContact CG2-CD1 3.65Å; I153-I157 WeakPolarHBondContact O-CB 3.4Å; I153-I157 WeakPolarHBondContact O-CD1 3.31Å; I153-I157 WeakPolarHBondContact O-CG1 3.24Å; I153-I157 PolarHBondContact O-N 2.77Å; K154-I157 PolarHBondContact O-N 3.25Å; Y155-I157 VanDerWaalsContact C-N 3.29Å; Y155-I157 PolarHBondContact O-N 2.98Å; I157-T160 CarbonylContact O-C 3.41Å; I157-T160 PolarHBondContact O-N 3.44Å
158	N	39.4	Very low	37.7	Very low	136 Å²	136	80.7 Å²	80.7	73%	0.727	42%	0.422	S	S	*	.	H	α-helix	trans	-72.4	-31.7	-179.3	-81.4	-8.4	0	0	0	113.4	K154 Y155	K154-N158 WeakPolarHBondContact O-CB 3.33Å; K154-N158 PolarHBondContact O-N 3.33Å; Y155-N158 PolarHBondContact O-N 3.11Å
159	I	36.1	Very low	36.9	Very low	84 Å²	84	83.3 Å²	83.3	43%	0.431	44%	0.436	S	S	.	.	H	α-helix	trans	-77.4	-35.1	174.6	-51.8	158.2	0	0	0	110.8	Y155 S161	Y155-I159 HydrophobicContact CD1-CD1 3.45Å; Y155-I159 VanDerWaalsContact CD1-CD1 3.45Å; Y155-I159 HydrophobicContact CD1-CG1 4.32Å; Y155-I159 HydrophobicContact CD2-CD1 4.44Å; Y155-I159 HydrophobicContact CE1-CD1 2.98Å; Y155-I159 HydrophobicContact CE1-CG1 3.92Å; Y155-I159 HydrophobicContact CE2-CD1 4.07Å; Y155-I159 HydrophobicContact CE2-CG1 4.1Å; Y155-I159 HydrophobicContact CG-CD1 4.15Å; Y155-I159 VanDerWaalsContact O-CG1 3.28Å; Y155-I159 WeakPolarHBondContact O-CG1 3.45Å; Y155-I159 PolarHBondContact O-N 3.34Å; I159-S161 PolarHBondContact O-N 3.42Å; I159-S161 VanDerWaalsContact O-N 3.15Å
160	T	35.1	Very low	36	Very low	51 Å²	51	93.7 Å²	93.7	31%	0.313	48%	0.48	S	S	.	.	S	Bend	trans	-83.4	91.6	177.7	49.3	0	0	0	0	110.6	R49 T156 I157 S162	R49-T160 PolarHBondContact NH2-OG1 3.21Å; T156-T160 WeakPolarHBondContact O-CB 2.97Å; T156-T160 PolarHBondContact O-N 3.06Å; T156-T160 VanDerWaalsContact O-N 3.08Å; T156-T160 PolarHBondContact O-OG1 3.02Å; I157-T160 CarbonylContact O-C 3.41Å; I157-T160 PolarHBondContact O-N 3.44Å; T160-S162 PolarHBondContact O-N 3.37Å; T160-S162 VanDerWaalsContact O-N 3.14Å
161	S	32.9	Very low	35.3	Very low	53 Å²	53	94.3 Å²	94.3	37%	0.371	50%	0.499	S	S	.	.			trans	-45.1	123.6	170.1	177	0	0	0	0	110.9	I159 N163	I159-S161 PolarHBondContact O-N 3.42Å; I159-S161 VanDerWaalsContact O-N 3.15Å; S161-N163 PolarHBondContact O-N 2.83Å
162	S	33.5	Very low	34.3	Very low	81 Å²	81	97.4 Å²	97.4	57%	0.566	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	0.5	-170.3	53.5	0	0	0	0	116	T160	T160-S162 PolarHBondContact O-N 3.37Å; T160-S162 VanDerWaalsContact O-N 3.14Å
163	N	31.2	Very low	33.4	Very low	94 Å²	94	107.1 Å²	107.1	50%	0.503	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.6	-1.6	-166.5	-74.7	-29.4	0	0	0	116.4	S161	S161-N163 PolarHBondContact O-N 2.83Å
164	Y	30.5	Very low	32.4	Very low	191 Å²	191	109.4 Å²	109.4	75%	0.749	59%	0.588	S	S	*	*			trans	-140.1	78	-172.8	-94.5	-95.3	0	0	0	112.9
165	F	28.8	Very low	31.5	Very low	72 Å²	72	113 Å²	113	32%	0.316	61%	0.607	S	S	.	*	P	Polyproline II helix	trans	-90.7	134.4	148.9	-77.9	-76.4	0	0	0	108.5	D13 R49 K167	D13-F165 HydrophobicContact CB-CD1 4.03Å; D13-F165 HydrophobicContact CB-CE1 3.61Å; D13-F165 HydrophobicContact CB-CZ 4.31Å; R49-F165 HydrophobicContact CB-CE2 4.19Å; R49-F165 HydrophobicContact CG-CE2 4.22Å; F165-K167 PolarHBondContact O-N 3.2Å
166	P	26.7	Very low	30.6	Very low	99 Å²	99	115.9 Å²	115.9	64%	0.643	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-57.1	127.2	172.6	24.7	-29.9	0	0	0	108.1	G168	P166-G168 PolarHBondContact O-N 3.29Å; P166-G168 VanDerWaalsContact O-N 3.11Å
167	K	27.6	Very low	29.8	Very low	203 Å²	203	122.4 Å²	122.4	88%	0.883	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-57.1	122.2	161.4	-71.7	179.2	-179.7	173.6	0	105.6	F165	F165-K167 PolarHBondContact O-N 3.2Å
168	G	27.1	Very low	29	Very low	69 Å²	69	124.3 Å²	124.3	71%	0.711	66%	0.657	S	S	*	*			trans	-44.2	147.9	171.6	0	0	0	0	0	111	P166	P166-G168 PolarHBondContact O-N 3.29Å; P166-G168 VanDerWaalsContact O-N 3.11Å
169	Q	28	Very low	28.3	Very low	170 Å²	170	128 Å²	128	79%	0.794	66%	0.661	S	S	*	*			trans	-41.5	140.8	176.5	-82.8	175.8	-22.2	0	0	111.4	G171	Q169-G171 PolarHBondContact O-N 2.84Å
170	K	26.2	Very low	27.7	Very low	223 Å²	223	132.5 Å²	132.5	97%	0.97	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-40.4	109.2	166.4	-89.5	176.4	165.9	179.1	0	109.4
171	G	27.7	Very low	27.2	Very low	65 Å²	65	134.6 Å²	134.6	67%	0.67	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	173.2	-46.3	176.5	0	0	0	0	0	114.5	Q169	Q169-G171 PolarHBondContact O-N 2.84Å
172	D	26.9	Very low	26.7	Very low	158 Å²	158	138 Å²	138	85%	0.845	70%	0.698	S	S	*	*			trans	-99.8	114.4	-166.1	-73.7	-21.4	0	0	0	114.1	G174	D172-G174 PolarHBondContact O-N 3.39Å; D172-G174 VanDerWaalsContact O-N 3.13Å
173	K	27.6	Very low	26.2	Very low	214 Å²	214	143.6 Å²	143.6	93%	0.93	72%	0.716	S	S	*	*			trans	-61.1	106.2	173.2	-66	177	179.6	176.5	0	109.5
174	G	24.2	Very low	25.8	Very low	66 Å²	66	149.7 Å²	149.7	68%	0.68	73%	0.732	S	S	*	*			trans	-81.3	163.6	-175.1	0	0	0	0	0	116.5	D172	D172-G174 PolarHBondContact O-N 3.39Å; D172-G174 VanDerWaalsContact O-N 3.13Å
175	E	24.4	Very low	25.5	Very low	198 Å²	198	144.9 Å²	144.9	93%	0.925	73%	0.726	S	S	*	*			trans	-134.7	139.2	163	-112.2	-177.3	163.8	0	0	111.7
176	R	26.5	Very low	25.2	Very low	114 Å²	114	149.3 Å²	149.3	43%	0.43	75%	0.751	S	S	.	*			trans	-111.9	139.3	-169	-89.7	169.4	148.8	178.3	-37.5	109.9	K251 Q252	R176-K251 HydrophobicContact CB-CD 4.3Å; R176-K251 HydrophobicContact CB-CG 3.92Å; R176-K251 VanDerWaalsContact CD-CB 3.47Å; R176-K251 HydrophobicContact CG-CD 4.36Å; R176-K251 HydrophobicContact CG-CG 4.25Å; R176-K251 PolarHBondContact NH2-O 3.24Å; R176-Q252 PolarHBondContact NH2-O 2.96Å
177	I	24.4	Very low	25.1	Very low	178 Å²	178	154.1 Å²	154.1	91%	0.913	76%	0.758	S	S	*	*			trans	-141.3	138.6	158.7	-57.3	-177.7	0	0	0	112
178	Q	23.5	Very low	25	Very low	91 Å²	91	150.3 Å²	150.3	43%	0.425	75%	0.752	S	S	.	*			trans	-78.7	165.7	-173.3	-60	165	-21.4	0	0	115.5	F249 E250	Q178-F249 PolarHBondContact NE2-O 2.83Å; Q178-E250 VanDerWaalsContact NE2-C 3.28Å; Q178-E250 PolarHBondContact NE2-O 2.91Å
179	R	24.8	Very low	24.9	Very low	215 Å²	215	156 Å²	156	81%	0.811	76%	0.76	S	S	*	*				178.7	132.4	116.2	-99.9	174.5	-178.3	-172.9	1.4	115.2
180	K	23.3	Very low	25	Very low	177 Å²	177	154.8 Å²	154.8	77%	0.77	76%	0.759	S	S	*	*			trans	27.6	121.4	139.9	-74.2	177.1	171.7	178.3	0	120.2
181	L	25.1	Very low	25.1	Very low	96 Å²	96	151.4 Å²	151.4	50%	0.503	75%	0.752	S	S	.	*			trans	-110.8	117.2	153.5	-115	161.9	0	0	0	110.5	A51 D52	A51-L181 HydrophobicContact CB-CD1 4.17Å; D52-L181 WeakPolarHBondContact OD1-CD2 3.28Å; D52-L181 WeakPolarHBondContact OD1-CG 3.4Å
182	I	23.2	Very low	25.1	Very low	123 Å²	123	159.7 Å²	159.7	63%	0.631	76%	0.763	S	S	*	*			trans	-80.5	123	175.3	-70.5	167.4	0	0	0	108.1	R184	I182-R184 HydrophobicContact CG2-CG 4.27Å; I182-R184 PolarHBondContact O-N 2.69Å
183	Q	22.7	Very low	25.3	Very low	199 Å²	199	159 Å²	159	93%	0.93	76%	0.759	S	S	*	*			trans	-63.6	118.9	159	-87.5	174.9	-31	0	0	108.5
184	R	23.3	Very low	25.4	Very low	222 Å²	222	155.3 Å²	155.3	84%	0.838	75%	0.748	S	S	*	*			trans	-120.5	113.5	157.9	-98.6	-176.5	173.3	179.7	-1.6	109.2	I182	I182-R184 HydrophobicContact CG2-CG 4.27Å; I182-R184 PolarHBondContact O-N 2.69Å
185	S	23.9	Very low	25.8	Very low	90 Å²	90	159.3 Å²	159.3	63%	0.629	75%	0.749	S	S	*	*			trans	-52.4	133.4	165.8	49.5	0	0	0	0	111.6	Y187	S185-Y187 PolarHBondContact O-N 2.79Å
186	I	23.3	Very low	26.1	Very low	165 Å²	165	159.7 Å²	159.7	85%	0.846	74%	0.742	S	S	*	*			trans	-82.2	98.1	156.3	-61.8	173.1	0	0	0	105.6
187	Y	23.8	Very low	26.4	Very low	200 Å²	200	164.6 Å²	164.6	78%	0.784	76%	0.76	S	S	*	*			trans	-84.2	114.4	164.6	-104.6	-87.4	0	0	0	107.7	S185 Q189	S185-Y187 PolarHBondContact O-N 2.79Å; Y187-Q189 PolarHBondContact O-N 2.9Å
188	T	25.9	Very low	26.7	Very low	123 Å²	123	164.4 Å²	164.4	76%	0.755	75%	0.753	S	S	*	*			trans	-70.4	114.1	159.1	34.9	0	0	0	0	107.8	N190	T188-N190 PolarHBondContact O-N 2.9Å; T188-N190 VanDerWaalsContact O-N 3.13Å
189	Q	24.7	Very low	26.9	Very low	189 Å²	189	169.4 Å²	169.4	88%	0.883	77%	0.768	S	S	*	*			trans	-60.6	111.3	166.3	-85.5	177.6	-35.6	0	0	108.4	Y187	Y187-Q189 PolarHBondContact O-N 2.9Å
190	N	29	Very low	27.2	Very low	145 Å²	145	166.5 Å²	166.5	78%	0.775	76%	0.763	S	S	*	*			trans	-148.4	131.3	150.9	-101	-17.3	0	0	0	109.4	T188	T188-N190 PolarHBondContact O-N 2.9Å; T188-N190 VanDerWaalsContact O-N 3.13Å
191	N	29.9	Very low	27.5	Very low	151 Å²	151	165.7 Å²	165.7	81%	0.807	76%	0.762	S	S	*	*			trans	73.5	80.6	161.2	-58.1	-10.9	0	0	0	117.9
192	R	26	Very low	27.7	Very low	240 Å²	240	168.5 Å²	168.5	91%	0.906	77%	0.773	S	S	*	*			trans	-79.4	114	134.4	-77.9	-178	178	168.6	-0.2	107.2
193	N	31.9	Very low	28	Very low	144 Å²	144	169.6 Å²	169.6	77%	0.77	78%	0.775	S	S	*	*			trans	-178.5	130.6	134.2	-95.4	-10.1	0	0	0	111.9
194	I	30.1	Very low	28.3	Very low	136 Å²	136	165.9 Å²	165.9	70%	0.697	76%	0.761	S	S	*	*			trans	91.5	96.6	140.6	-60.5	163.4	0	0	0	117.8
195	H	32.4	Very low	28.4	Very low	150 Å²	150	164.6 Å²	164.6	69%	0.694	76%	0.758	S	S	*	*				66.1	114.3	121.9	-68.5	-40	0	0	0	123.3
196	R	30.6	Very low	28.5	Very low	205 Å²	205	166.1 Å²	166.1	77%	0.774	76%	0.759	S	S	*	*				56.9	119.8	114.9	-88.7	179.5	172	169.2	-1.8	120
197	R	32.4	Very low	28.8	Very low	218 Å²	218	165.7 Å²	165.7	82%	0.823	75%	0.753	S	S	*	*				117	107.2	127.6	-81.5	177.4	177.1	177.1	-0.8	118
198	K	31.1	Very low	28.9	Very low	174 Å²	174	162.4 Å²	162.4	76%	0.757	75%	0.748	S	S	*	*				49.7	120.5	121.7	-80.9	-173.2	175.4	179.5	0	121.2
199	R	28.4	Very low	28.9	Very low	195 Å²	195	162.9 Å²	162.9	74%	0.736	75%	0.746	S	S	*	*				88.9	139.9	121.5	-83	-173.3	176	178.3	-3.6	120.4
200	Q	31	Very low	29.1	Very low	154 Å²	154	161.1 Å²	161.1	72%	0.72	74%	0.742	S	S	*	*			trans	79.4	106.1	153.2	-77.8	161.8	-39.5	0	0	115.1
201	Q	29.7	Very low	28.9	Very low	160 Å²	160	165 Å²	165	75%	0.748	75%	0.746	S	S	*	*				91	124.1	77.8	-103.3	-176.6	-9.1	0	0	110.3
202	Q	28.6	Very low	28.7	Very low	155 Å²	155	164.8 Å²	164.8	72%	0.724	74%	0.743	S	S	*	*			trans	102.8	111.9	136.1	-141.1	151.2	-5.3	0	0	118.8
203	H	29.4	Very low	28.8	Very low	146 Å²	146	161.5 Å²	161.5	68%	0.676	74%	0.738	S	S	*	*			trans	69.3	129.9	141.4	-82.6	-66.3	0	0	0	123.4
204	D	29.8	Very low	28.8	Very low	121 Å²	121	160 Å²	160	65%	0.647	74%	0.736	S	S	*	*			trans	84.2	110.1	134.7	-71	-1.2	0	0	0	121.7
205	Y	24.5	Very low	28.8	Very low	196 Å²	196	161.7 Å²	161.7	77%	0.769	75%	0.745	S	S	*	*				60	117.2	126.1	-81.9	-84.8	0	0	0	120.5
206	D	26	Very low	28.7	Very low	122 Å²	122	161.5 Å²	161.5	65%	0.652	75%	0.745	S	S	*	*				84.5	131.9	129.8	-82.6	-6.6	0	0	0	122.6
207	H	29.1	Very low	28.6	Very low	155 Å²	155	159 Å²	159	72%	0.718	74%	0.742	S	S	*	*			trans	90	121	142.8	-81.8	-55.5	0	0	0	121
208	L	27	Very low	28.6	Very low	131 Å²	131	156.6 Å²	156.6	69%	0.686	75%	0.746	S	S	*	*			trans	86.6	105.4	133.5	-70.9	160	0	0	0	119.7
209	N	24.8	Very low	28.6	Very low	133 Å²	133	158 Å²	158	71%	0.711	75%	0.752	S	S	*	*				64.9	149.3	120.1	-76.2	-13.9	0	0	0	122.8
210	L	28.8	Very low	29	Very low	152 Å²	152	159 Å²	159	80%	0.796	76%	0.761	S	S	*	*			trans	93.5	107.3	160.9	-61.9	130.6	0	0	0	115.6
211	R	24.5	Very low	28.8	Very low	227 Å²	227	163.1 Å²	163.1	86%	0.857	77%	0.77	S	S	*	*				76.7	142.9	73.8	-101.8	-167.4	-170.6	-177.2	4.4	114.4
212	I	27.4	Very low	29	Very low	146 Å²	146	162.8 Å²	162.8	75%	0.749	78%	0.779	S	S	*	*			trans	86.6	135.5	162.3	-57.8	148.4	0	0	0	114.6
213	H	27.1	Very low	28.9	Very low	172 Å²	172	163.8 Å²	163.8	80%	0.796	78%	0.781	S	S	*	*			cis	-172.3	169.7	-14.4	-109.1	-86.6	0	0	0	106.8
214	P	31.5	Very low	28.9	Very low	111 Å²	111	167.8 Å²	167.8	72%	0.721	79%	0.79	S	S	*	*			trans	-97.6	165.5	-175.9	38.3	-31.3	0	0	0	114.1
215	L	30.7	Very low	28.7	Very low	172 Å²	172	166.2 Å²	166.2	90%	0.901	79%	0.788	S	S	*	*			trans	-159.4	162	167.7	-109.7	153	0	0	0	114.4
216	Q	30.5	Very low	28.9	Very low	147 Å²	147	165.8 Å²	165.8	69%	0.687	79%	0.791	S	S	*	*			trans	-90.9	165.3	-154.4	-87.8	168.6	-73.6	0	0	117.5
217	E	28.5	Very low	29	Very low	151 Å²	151	167.1 Å²	167.1	71%	0.706	80%	0.795	S	S	*	*			trans	57.5	132	139.5	-73	171.9	-157.2	0	0	122.3
218	N	33.3	Very low	29	Very low	169 Å²	169	166.3 Å²	166.3	90%	0.904	80%	0.796	S	S	*	*				-166.4	124.7	123.3	-99.8	-46.7	0	0	0	113.4
219	K	30.8	Very low	29.1	Very low	203 Å²	203	165.5 Å²	165.5	88%	0.883	80%	0.801	S	S	*	*			trans	-82.5	139.1	167.9	-78.2	171.4	173.9	165.5	0	110.3
220	K	36.2	Very low	29.1	Very low	217 Å²	217	166.1 Å²	166.1	94%	0.943	80%	0.804	S	S	*	*			trans	-146.8	127.1	149	-92.3	-176.3	-176.3	174.7	0	112.1
221	R	27.4	Very low	29	Very low	240 Å²	240	165.2 Å²	165.2	91%	0.906	80%	0.8	S	S	*	*			trans	-73.2	145.9	173.7	-75	170.6	164.9	167.6	-4.3	111.3
222	V	33	Very low	29.1	Very low	153 Å²	153	162.7 Å²	162.7	93%	0.927	80%	0.798	S	S	*	*			trans	-139	135.6	143.8	-179.2	0	0	0	0	109.3
223	K	25.9	Very low	29.1	Very low	176 Å²	176	160.8 Å²	160.8	77%	0.765	80%	0.797	S	S	*	*			trans	-108.7	167.4	-170.9	-123.9	-177.3	-176	-176.6	0	108.8
224	R	30	Very low	28.9	Very low	230 Å²	230	159.5 Å²	159.5	87%	0.868	80%	0.801	S	S	*	*			trans	80.2	142.7	159.7	-71	170.9	175.7	170	-2.1	115.1
225	S	26.6	Very low	28.6	Very low	88 Å²	88	160.5 Å²	160.5	62%	0.615	80%	0.801	S	S	*	*			cis	173.8	170.5	1.9	41.2	0	0	0	0	108.2
226	F	28.2	Very low	28.3	Very low	186 Å²	186	159 Å²	159	82%	0.816	79%	0.794	S	S	*	*			trans	86.3	105.3	166.9	-74.9	-94.1	0	0	0	116.5
227	M	27.5	Very low	28	Very low	151 Å²	151	157 Å²	157	74%	0.744	80%	0.796	S	S	*	*				79.4	129.6	65	-87.8	-141	115.6	0	0	114.7
228	N	29.4	Very low	27.8	Very low	138 Å²	138	154.5 Å²	154.5	74%	0.738	80%	0.795	S	S	*	*			trans	75	133.1	161.5	-53.4	-18.8	0	0	0	114.5
229	S	28.8	Very low	27.5	Very low	113 Å²	113	153.6 Å²	153.6	79%	0.79	79%	0.789	S	S	*	*			cis	-154.7	153.1	28.5	55.2	0	0	0	0	111.5
230	L	25.4	Very low	27.1	Very low	146 Å²	146	150.5 Å²	150.5	76%	0.764	78%	0.781	S	S	*	*			trans	-48	157.5	167.8	-93.2	79.4	0	0	0	114.9
231	N	26	Very low	26.5	Very low	134 Å²	134	149.9 Å²	149.9	72%	0.717	78%	0.779	S	S	*	*			trans	100.1	126.1	142.8	-72.5	-15.1	0	0	0	119.7
232	Q	26.9	Very low	26.3	Very low	174 Å²	174	144.2 Å²	144.2	81%	0.813	77%	0.771	S	S	*	*			trans	98.2	108.7	147.5	-72.7	166.6	9.8	0	0	119.4
233	S	26.5	Very low	25.8	Very low	105 Å²	105	140.1 Å²	140.1	73%	0.734	76%	0.76	S	S	*	*			trans	56.9	109	140.3	63.4	0	0	0	0	118.8	N235	S233-N235 PolarHBondContact O-N 2.92Å; S233-N235 VanDerWaalsContact O-N 3.15Å
234	T	23.7	Very low	25.8	Very low	145 Å²	145	136.3 Å²	136.3	89%	0.89	76%	0.756	S	S	*	*			trans	-60.6	104	163.6	47.3	0	0	0	0	111
235	N	26.1	Very low	25.5	Very low	133 Å²	133	131 Å²	131	71%	0.711	75%	0.754	S	S	*	*			trans	-139.4	150.8	162.1	-104.1	-4.1	0	0	0	109.3	S233	S233-N235 PolarHBondContact O-N 2.92Å; S233-N235 VanDerWaalsContact O-N 3.15Å
236	D	24	Very low	25.4	Very low	139 Å²	139	135.7 Å²	135.7	74%	0.743	76%	0.764	S	S	*	*			trans	71.9	115.2	152.1	-61.8	-28.4	0	0	0	118.8
237	S	23.6	Very low	25.1	Very low	105 Å²	105	130.4 Å²	130.4	73%	0.734	75%	0.754	S	S	*	*				165.7	148.5	75.9	42.5	0	0	0	0	112.2
238	S	25.3	Very low	25	Very low	100 Å²	100	130.1 Å²	130.1	70%	0.699	76%	0.756	S	S	*	*			trans	114.9	101.5	136.1	80.7	0	0	0	0	117.8
239	I	26.1	Very low	24.8	Very low	149 Å²	149	131.4 Å²	131.4	76%	0.764	76%	0.755	S	S	*	*			trans	113.5	89	132.8	-58	148.9	0	0	0	115.8
240	L	22.7	Very low	24.8	Very low	139 Å²	139	132.8 Å²	132.8	73%	0.728	75%	0.749	S	S	*	*			trans	-39.6	135.6	151.5	-76.7	129.3	0	0	0	113.7	T242	L240-T242 HydrophobicContact CD2-CG2 3.8Å
241	F	24.5	Very low	24.7	Very low	204 Å²	204	131.7 Å²	131.7	90%	0.895	74%	0.738	S	S	*	*			trans	-137.2	107.9	130.4	-96.3	-82.2	0	0	0	108.2
242	T	22.8	Very low	24.7	Very low	120 Å²	120	133.1 Å²	133.1	74%	0.736	74%	0.74	S	S	*	*			trans	-71.1	156.9	166.5	42.6	0	0	0	0	110.2	L240	L240-T242 HydrophobicContact CD2-CG2 3.8Å
243	G	23	Very low	24.7	Very low	68 Å²	68	131.6 Å²	131.6	70%	0.701	73%	0.731	S	S	*	*			trans	129.4	111.2	156.8	0	0	0	0	0	115.7
244	S	24.1	Very low	24.8	Very low	96 Å²	96	132.1 Å²	132.1	67%	0.671	72%	0.724	S	S	*	*			trans	59.9	104.7	152.5	57	0	0	0	0	118.3	F246	S244-F246 PolarHBondContact O-N 2.86Å
245	S	23.6	Very low	25.2	Very low	118 Å²	118	127.6 Å²	127.6	83%	0.825	69%	0.694	S	S	*	*			trans	-51.5	97.8	166.9	54.8	0	0	0	0	113.2	A247	S245-A247 PolarHBondContact O-N 3.48Å
246	F	25.3	Very low	25.5	Very low	187 Å²	187	123 Å²	123	82%	0.82	68%	0.679	S	S	*	*			trans	-77	82.3	159.3	-77.6	-84.7	0	0	0	109.1	S244	S244-F246 PolarHBondContact O-N 2.86Å
247	A	23.1	Very low	26.5	Very low	74 Å²	74	119.9 Å²	119.9	61%	0.612	66%	0.664	S	S	*	*			trans	-58.3	148.2	151.4	0	0	0	0	0	108.9	S245	S245-A247 PolarHBondContact O-N 3.48Å
248	N	24.3	Very low	27.7	Very low	146 Å²	146	118 Å²	118	78%	0.781	64%	0.643	S	S	*	*			trans	75.6	87.9	179.5	-55.5	-25.5	0	0	0	116.2
249	F	25.3	Very low	29	Very low	164 Å²	164	117.5 Å²	117.5	72%	0.719	63%	0.632	S	S	*	*			trans	-161.3	103.1	143.2	-95.9	-70.2	0	0	0	112.1	Q178	Q178-F249 PolarHBondContact NE2-O 2.83Å
250	E	27.7	Very low	30.4	Very low	143 Å²	143	110.4 Å²	110.4	67%	0.668	60%	0.595	S	S	*	*			trans	59	82.7	132.8	-65.3	-176.3	155.2	0	0	121.9	Q178 Q252	Q178-E250 VanDerWaalsContact NE2-C 3.28Å; Q178-E250 PolarHBondContact NE2-O 2.91Å; E250-Q252 PolarHBondContact O-N 3.39Å
251	K	24.4	Very low	32.1	Very low	122 Å²	122	108.9 Å²	108.9	53%	0.53	58%	0.584	S	S	.	*				8.8	67	121.5	-66.8	-162.5	154.9	169.9	0	118.9	R176	R176-K251 HydrophobicContact CB-CD 4.3Å; R176-K251 HydrophobicContact CB-CG 3.92Å; R176-K251 VanDerWaalsContact CD-CB 3.47Å; R176-K251 HydrophobicContact CG-CD 4.36Å; R176-K251 HydrophobicContact CG-CG 4.25Å; R176-K251 PolarHBondContact NH2-O 3.24Å
252	Q	25.1	Very low	33.6	Very low	165 Å²	165	105.2 Å²	105.2	77%	0.771	57%	0.569	S	S	*	*			trans	-71.6	138.1	173.1	-74.8	179.7	-10.2	0	0	112	R176 E250	R176-Q252 PolarHBondContact NH2-O 2.96Å; E250-Q252 PolarHBondContact O-N 3.39Å
253	K	27.1	Very low	35.1	Very low	142 Å²	142	101.1 Å²	101.1	62%	0.617	55%	0.545	S	S	*	.			trans	-107.3	120.4	-173.8	-139.1	173.7	-174.4	-177.3	0	106.9	L255 P274	K253-L255 PolarHBondContact O-N 2.93Å; K253-P274 HydrophobicContact CD-CG 4.21Å
254	I	29	Very low	36.9	Very low	115 Å²	115	103.2 Å²	103.2	59%	0.59	54%	0.54	S	S	*	.			trans	-68.6	126.2	176.9	-60.2	172.9	0	0	0	108.2	R50	R50-I254 HydrophobicContact CB-CD1 4.23Å; R50-I254 HydrophobicContact CG-CD1 3.84Å
255	L	31.2	Very low	38.7	Very low	50 Å²	50	101.9 Å²	101.9	26%	0.262	52%	0.523	S	S	.	.			trans	-96.5	99.2	-175.8	-73.4	138.2	0	0	0	108.2	K253 P274 V275 G276 A277	K253-L255 PolarHBondContact O-N 2.93Å; L255-P274 HydrophobicContact CD2-CB 3.83Å; L255-P274 HydrophobicContact CD2-CG 3.77Å; L255-V275 WeakPolarHBondContact CD1-O 3.26Å; L255-G276 VanDerWaalsContact CB-O 3.28Å; L255-G276 WeakPolarHBondContact CB-O 3.28Å; L255-G276 VanDerWaalsContact CD1-O 3.27Å; L255-G276 WeakPolarHBondContact CD1-O 3.27Å; L255-G276 VanDerWaalsContact CD2-C 3.47Å; L255-A277 HydrophobicContact CD2-CB 3.72Å
256	G	34.4	Very low	40.7	Very low	38 Å²	38	96.4 Å²	96.4	39%	0.392	49%	0.485	S	S	.	.			trans	-61	137.9	173.3	0	0	0	0	0	110.2	K258	G256-K258 PolarHBondContact O-N 2.97Å
257	V	43.6	Very low	42.5	Very low	72 Å²	72	92.1 Å²	92.1	44%	0.436	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	113.8	171.7	-175.4	0	0	0	0	107.8	L278 V280 L316	V257-L278 CarbonylContact C-O 3.59Å; V257-L278 VanDerWaalsContact CA-O 3.29Å; V257-L278 WeakPolarHBondContact CA-O 3.32Å; V257-L278 HydrophobicContact CB-CB 4.22Å; V257-L278 HydrophobicContact CG1-CB 4.31Å; V257-L278 HydrophobicContact CG2-CB 3.74Å; V257-L278 HydrophobicContact CG2-CD1 3.82Å; V257-L278 HydrophobicContact CG2-CG 4.45Å; V257-V280 HydrophobicContact CG1-CB 4.28Å; V257-V280 HydrophobicContact CG1-CG2 3.44Å; V257-V280 VanDerWaalsContact CG1-CG2 3.44Å; V257-L316 HydrophobicContact CG1-CD1 4.18Å
258	K	49	Very low	44.4	Very low	67 Å²	67	93.5 Å²	93.5	29%	0.291	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	122.5	176.5	-175.1	162.7	173.4	161.6	0	109.9	G256 F260 E265 I269 L278 V279 V280	G256-K258 PolarHBondContact O-N 2.97Å; K258-F260 HydrophobicContact CB-CD2 4.28Å; K258-F260 HydrophobicContact CB-CE2 3.79Å; K258-F260 HydrophobicContact CB-CZ 4.45Å; K258-F260 HydrophobicContact CD-CD2 4.48Å; K258-F260 HydrophobicContact CD-CE1 4.06Å; K258-F260 HydrophobicContact CD-CE2 3.7Å; K258-F260 HydrophobicContact CD-CZ 3.48Å; K258-F260 VanDerWaalsContact CD-CZ 3.48Å; K258-F260 HydrophobicContact CG-CD2 3.93Å; K258-F260 HydrophobicContact CG-CE1 4.44Å; K258-F260 HydrophobicContact CG-CE2 3.52Å; K258-F260 HydrophobicContact CG-CZ 3.84Å; K258-E265 VanDerWaalsContact CE-OE1 3.28Å; K258-E265 WeakPolarHBondContact CE-OE1 3.46Å; K258-E265 IonicContact NZ-OE1 2.76Å; K258-E265 PolarHBondContact NZ-OE1 2.96Å; K258-I269 HydrophobicContact CD-CG2 4.21Å; K258-L278 PolarHBondContact N-O 2.86Å; K258-V279 CarbonylContact O-C 3.07Å; K258-V279 VanDerWaalsContact O-CA 3.26Å; K258-V279 WeakPolarHBondContact O-CA 3.45Å; K258-V280 PolarHBondContact O-N 3.26Å
259	I	52.9	Low	46.3	Very low	89 Å²	89	88.1 Å²	88.1	46%	0.456	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.9	174.4	-54.3	172.8	0	0	0	107.6	V280	I259-V280 CarbonylContact C-O 3.5Å; I259-V280 VanDerWaalsContact CA-O 3.25Å; I259-V280 WeakPolarHBondContact CA-O 3.12Å; I259-V280 HydrophobicContact CG1-CB 4.15Å
260	F	56.5	Low	48	Very low	0 Å²	0	80.5 Å²	80.5	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120.5	177.5	-76	-86.1	0	0	0	109.8	K258 E265 F266 I269 L273 V279 V280 T281	K258-F260 HydrophobicContact CB-CD2 4.28Å; K258-F260 HydrophobicContact CB-CE2 3.79Å; K258-F260 HydrophobicContact CB-CZ 4.45Å; K258-F260 HydrophobicContact CD-CD2 4.48Å; K258-F260 HydrophobicContact CD-CE1 4.06Å; K258-F260 HydrophobicContact CD-CE2 3.7Å; K258-F260 HydrophobicContact CD-CZ 3.48Å; K258-F260 VanDerWaalsContact CD-CZ 3.48Å; K258-F260 HydrophobicContact CG-CD2 3.93Å; K258-F260 HydrophobicContact CG-CE1 4.44Å; K258-F260 HydrophobicContact CG-CE2 3.52Å; K258-F260 HydrophobicContact CG-CZ 3.84Å; F260-E265 HydrophobicContact CD1-CB 3.85Å; F260-E265 HydrophobicContact CD1-CG 3.72Å; F260-E265 VanDerWaalsContact CE1-C 3.49Å; F260-E265 HydrophobicContact CE1-CB 4.29Å; F260-E265 HydrophobicContact CE1-CG 3.84Å; F260-E265 VanDerWaalsContact CE1-O 3.26Å; F260-E265 WeakPolarHBondContact CE1-O 3.29Å; F260-F266 HydrophobicContact CB-CB 4.43Å; F260-F266 HydrophobicContact CD1-CB 3.99Å; F260-F266 HydrophobicContact CD2-CD2 4.06Å; F260-F266 HydrophobicContact CE1-CB 4.37Å; F260-F266 HydrophobicContact CE2-CD2 4.07Å; F260-F266 HydrophobicContact CG-CB 4.16Å; F260-F266 HydrophobicContact CG-CD2 4.25Å; F260-F266 HydrophobicContact CZ-CD2 4.33Å; F260-I269 HydrophobicContact CE1-CB 3.75Å; F260-I269 HydrophobicContact CE1-CD1 4.09Å; F260-I269 HydrophobicContact CE1-CG1 4.32Å; F260-I269 HydrophobicContact CE1-CG2 4.1Å; F260-I269 HydrophobicContact CZ-CB 3.78Å; F260-I269 HydrophobicContact CZ-CG2 3.71Å; F260-L273 HydrophobicContact CE2-CD1 4Å; F260-L273 HydrophobicContact CZ-CD1 3.96Å; F260-V279 HydrophobicContact CD2-CB 4.12Å; F260-V279 HydrophobicContact CD2-CG1 3.3Å; F260-V279 HydrophobicContact CD2-CG2 3.89Å; F260-V279 HydrophobicContact CE2-CB 4.19Å; F260-V279 HydrophobicContact CE2-CG1 3.8Å; F260-V279 HydrophobicContact CE2-CG2 3.44Å; F260-V279 VanDerWaalsContact CE2-CG2 3.44Å; F260-V279 HydrophobicContact CG-CG1 4.27Å; F260-V280 PolarHBondContact N-O 2.79Å; F260-T281 PolarHBondContact O-OG1 2.89Å
261	H	56.5	Low	49.8	Very low	107 Å²	107	77.2 Å²	77.2	50%	0.495	40%	0.397	S	S	.	.			trans	-95.4	-14.8	-178.6	-63.7	-69.7	0	0	0	113.2
262	H	57.1	Low	51.8	Low	126 Å²	126	77.6 Å²	77.6	58%	0.583	40%	0.404	S	S	*	.	S	Bend	trans	-136.4	142.7	-179.3	-86.8	53	0	0	0	111.4	N264 E265 F266	H262-N264 VanDerWaalsContact C-N 3.26Å; H262-N264 PolarHBondContact O-N 3.15Å; H262-E265 HydrophobicContact CB-CB 4.5Å; H262-E265 PolarHBondContact O-N 3.05Å; H262-E265 VanDerWaalsContact O-N 3.14Å; H262-F266 PolarHBondContact O-N 2.94Å
263	P	54.8	Low	53.4	Low	35 Å²	35	71.1 Å²	71.1	23%	0.227	38%	0.375	C	S	.	.	H	α-helix	trans	-55.8	-40.2	177.9	-23.6	32.4	0	0	0	113.2	E265 F266 K267 L283 L291	P263-E265 VanDerWaalsContact C-N 3.32Å; P263-E265 PolarHBondContact O-N 3.13Å; P263-F266 WeakPolarHBondContact O-CB 3.26Å; P263-F266 PolarHBondContact O-N 2.92Å; P263-K267 PolarHBondContact O-N 3.08Å; P263-L283 HydrophobicContact CB-CD1 4.06Å; P263-L283 HydrophobicContact CG-CD1 3.85Å; P263-L283 HydrophobicContact CG-CD2 3.62Å; P263-L283 HydrophobicContact CG-CG 4.39Å; P263-L291 HydrophobicContact CB-CD1 3.75Å; P263-L291 HydrophobicContact CB-CD2 4.44Å
264	N	59.9	Low	54.7	Low	112 Å²	112	66.3 Å²	66.3	60%	0.599	36%	0.358	S	S	*	.	H	α-helix	trans	-66.5	-35.5	-178.1	-66.1	-13.4	0	0	0	111.7	H262 F266 K267 T268	H262-N264 VanDerWaalsContact C-N 3.26Å; H262-N264 PolarHBondContact O-N 3.15Å; N264-F266 VanDerWaalsContact C-N 3.31Å; N264-F266 PolarHBondContact O-N 3.28Å; N264-K267 PolarHBondContact O-N 3.16Å; N264-T268 PolarHBondContact O-N 3.37Å; N264-T268 VanDerWaalsContact O-N 3.08Å; N264-T268 PolarHBondContact O-OG1 2.91Å
265	E	62.7	Low	56	Low	67 Å²	67	64 Å²	64	31%	0.313	35%	0.349	S	S	.	.	H	α-helix	trans	-65.2	-39.9	175.8	-164.8	-163.6	167.1	0	0	110.4	K258 F260 H262 P263 I269	K258-E265 VanDerWaalsContact CE-OE1 3.28Å; K258-E265 WeakPolarHBondContact CE-OE1 3.46Å; K258-E265 IonicContact NZ-OE1 2.76Å; K258-E265 PolarHBondContact NZ-OE1 2.96Å; F260-E265 HydrophobicContact CD1-CB 3.85Å; F260-E265 HydrophobicContact CD1-CG 3.72Å; F260-E265 VanDerWaalsContact CE1-C 3.49Å; F260-E265 HydrophobicContact CE1-CB 4.29Å; F260-E265 HydrophobicContact CE1-CG 3.84Å; F260-E265 VanDerWaalsContact CE1-O 3.26Å; F260-E265 WeakPolarHBondContact CE1-O 3.29Å; H262-E265 HydrophobicContact CB-CB 4.5Å; H262-E265 PolarHBondContact O-N 3.05Å; H262-E265 VanDerWaalsContact O-N 3.14Å; P263-E265 VanDerWaalsContact C-N 3.32Å; P263-E265 PolarHBondContact O-N 3.13Å; E265-I269 HydrophobicContact CG-CD1 3.74Å; E265-I269 WeakPolarHBondContact O-CB 3.4Å; E265-I269 VanDerWaalsContact O-CG1 3.28Å; E265-I269 WeakPolarHBondContact O-CG1 3.45Å; E265-I269 PolarHBondContact O-N 3.06Å; E265-I269 VanDerWaalsContact O-N 3.11Å
266	F	64.7	Low	56.8	Low	3 Å²	3	62.3 Å²	62.3	1%	0.013	34%	0.344	C	S	.	.	H	α-helix	trans	-65.3	-44.3	174.3	-177.6	-102.4	0	0	0	111.9	F260 H262 P263 N264 T268 I269 S270 V279 I288 I292 W327	F260-F266 HydrophobicContact CB-CB 4.43Å; F260-F266 HydrophobicContact CD1-CB 3.99Å; F260-F266 HydrophobicContact CD2-CD2 4.06Å; F260-F266 HydrophobicContact CE1-CB 4.37Å; F260-F266 HydrophobicContact CE2-CD2 4.07Å; F260-F266 HydrophobicContact CG-CB 4.16Å; F260-F266 HydrophobicContact CG-CD2 4.25Å; F260-F266 HydrophobicContact CZ-CD2 4.33Å; H262-F266 PolarHBondContact O-N 2.94Å; P263-F266 WeakPolarHBondContact O-CB 3.26Å; P263-F266 PolarHBondContact O-N 2.92Å; N264-F266 VanDerWaalsContact C-N 3.31Å; N264-F266 PolarHBondContact O-N 3.28Å; F266-T268 PolarHBondContact O-N 3.39Å; F266-I269 PolarHBondContact O-N 3Å; F266-S270 WeakPolarHBondContact O-CA 3.18Å; F266-S270 WeakPolarHBondContact O-CB 3.42Å; F266-S270 PolarHBondContact O-N 3.24Å; F266-S270 PolarHBondContact O-OG 3.31Å; F266-V279 HydrophobicContact CD2-CG1 3.86Å; F266-V279 HydrophobicContact CE2-CB 4.29Å; F266-V279 HydrophobicContact CE2-CG1 3.79Å; F266-V279 HydrophobicContact CE2-CG2 4.24Å; F266-I288 HydrophobicContact CE1-CG2 4.46Å; F266-I292 HydrophobicContact CE1-CD1 3.95Å; F266-I292 HydrophobicContact CE1-CG1 3.81Å; F266-I292 HydrophobicContact CZ-CD1 4.1Å; F266-I292 HydrophobicContact CZ-CG1 4.34Å; F266-W327 HydrophobicContact CE2-CD2 4.06Å; F266-W327 AromaticContact CE2-CE2 3.84Å; F266-W327 HydrophobicContact CE2-CE3 4.24Å; F266-W327 HydrophobicContact CE2-CH2 4.08Å; F266-W327 AromaticContact CE2-CZ2 3.88Å; F266-W327 HydrophobicContact CE2-CZ2 3.88Å; F266-W327 HydrophobicContact CE2-CZ3 4.26Å; F266-W327 AromaticContact CZ-CD1 3.83Å; F266-W327 AromaticContact CZ-CD2 3.7Å; F266-W327 HydrophobicContact CZ-CD2 3.7Å; F266-W327 AromaticContact CZ-CE2 3.5Å; F266-W327 VanDerWaalsContact CZ-CE2 3.5Å; F266-W327 HydrophobicContact CZ-CE3 4.29Å; F266-W327 AromaticContact CZ-CG 3.97Å; F266-W327 HydrophobicContact CZ-CG 3.97Å; F266-W327 AromaticContact CZ-CZ2 3.99Å; F266-W327 HydrophobicContact CZ-CZ2 3.99Å; F266-W327 AromaticContact CZ-NE1 3.58Å
267	K	63	Low	57.5	Low	97 Å²	97	60.6 Å²	60.6	42%	0.422	33%	0.326	S	S	.	.	H	α-helix	trans	-54.8	-48.1	175.1	-87.4	-179.3	153	166.9	0	112.4	P263 N264 I269 S270 L291	P263-K267 PolarHBondContact O-N 3.08Å; N264-K267 PolarHBondContact O-N 3.16Å; K267-I269 PolarHBondContact O-N 3.28Å; K267-S270 PolarHBondContact O-OG 3.33Å; K267-L291 HydrophobicContact CD-CD2 3.61Å; K267-L291 HydrophobicContact CG-CD2 3.98Å; K267-L291 VanDerWaalsContact NZ-CD2 3.33Å
268	T	63.8	Low	58	Low	103 Å²	103	59.1 Å²	59.1	63%	0.632	32%	0.315	S	S	*	.	H	α-helix	trans	-71.1	-32.3	-176.3	-42.9	0	0	0	0	112.9	N264 F266	N264-T268 PolarHBondContact O-N 3.37Å; N264-T268 VanDerWaalsContact O-N 3.08Å; N264-T268 PolarHBondContact O-OG1 2.91Å; F266-T268 PolarHBondContact O-N 3.39Å
269	I	63.4	Low	58.4	Low	34 Å²	34	56 Å²	56	17%	0.174	30%	0.301	C	S	.	.	H	α-helix	trans	-104.1	-24.4	-169.5	-57.1	-178.5	0	0	0	112	K258 F260 E265 F266 K267 S271 I272 L273	K258-I269 HydrophobicContact CD-CG2 4.21Å; F260-I269 HydrophobicContact CE1-CB 3.75Å; F260-I269 HydrophobicContact CE1-CD1 4.09Å; F260-I269 HydrophobicContact CE1-CG1 4.32Å; F260-I269 HydrophobicContact CE1-CG2 4.1Å; F260-I269 HydrophobicContact CZ-CB 3.78Å; F260-I269 HydrophobicContact CZ-CG2 3.71Å; E265-I269 HydrophobicContact CG-CD1 3.74Å; E265-I269 WeakPolarHBondContact O-CB 3.4Å; E265-I269 VanDerWaalsContact O-CG1 3.28Å; E265-I269 WeakPolarHBondContact O-CG1 3.45Å; E265-I269 PolarHBondContact O-N 3.06Å; E265-I269 VanDerWaalsContact O-N 3.11Å; F266-I269 PolarHBondContact O-N 3Å; K267-I269 PolarHBondContact O-N 3.28Å; I269-S271 VanDerWaalsContact C-N 3.31Å; I269-S271 PolarHBondContact O-N 2.83Å; I269-I272 HydrophobicContact CG2-CD1 4.19Å; I269-I272 HydrophobicContact CG2-CG1 4.16Å; I269-I272 WeakPolarHBondContact O-CG1 3.31Å; I269-I272 PolarHBondContact O-N 2.96Å; I269-L273 HydrophobicContact CG2-CD1 4.16Å; I269-L273 HydrophobicContact CG2-CD2 4.46Å; I269-L273 HydrophobicContact CG2-CG 4.04Å; I269-L273 VanDerWaalsContact O-CG 3.31Å; I269-L273 WeakPolarHBondContact O-CG 3.04Å; I269-L273 PolarHBondContact O-N 3.5Å; I269-L273 VanDerWaalsContact O-N 3.12Å
270	S	62	Low	58.9	Low	4 Å²	4	53 Å²	53	3%	0.028	29%	0.288	C	S	.	.	H	α-helix	trans	-58.8	-41.2	-179.2	60.3	0	0	0	0	112.3	F266 K267 I272 L273 K319 N325	F266-S270 WeakPolarHBondContact O-CA 3.18Å; F266-S270 WeakPolarHBondContact O-CB 3.42Å; F266-S270 PolarHBondContact O-N 3.24Å; F266-S270 PolarHBondContact O-OG 3.31Å; K267-S270 PolarHBondContact O-OG 3.33Å; S270-I272 VanDerWaalsContact C-N 3.33Å; S270-I272 PolarHBondContact O-N 3.39Å; S270-L273 PolarHBondContact O-N 3.09Å; S270-K319 PolarHBondContact O-NZ 2.82Å; S270-N325 PolarHBondContact O-OD1 3.32Å; S270-N325 PolarHBondContact OG-ND2 3.08Å
271	S	63.9	Low	58.8	Low	73 Å²	73	53 Å²	53	51%	0.51	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-38.6	179.6	58.4	0	0	0	0	112.6	I269 K319	I269-S271 VanDerWaalsContact C-N 3.31Å; I269-S271 PolarHBondContact O-N 2.83Å; S271-K319 PolarHBondContact O-NZ 3.21Å; S271-K319 VanDerWaalsContact O-NZ 3.15Å
272	I	66.5	Low	58.7	Low	131 Å²	131	53.6 Å²	53.6	67%	0.672	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-12.3	-179.5	61.6	169.7	0	0	0	113.8	I269 S270	I269-I272 HydrophobicContact CG2-CD1 4.19Å; I269-I272 HydrophobicContact CG2-CG1 4.16Å; I269-I272 WeakPolarHBondContact O-CG1 3.31Å; I269-I272 PolarHBondContact O-N 2.96Å; S270-I272 VanDerWaalsContact C-N 3.33Å; S270-I272 PolarHBondContact O-N 3.39Å
273	L	59.2	Low	58.5	Low	29 Å²	29	48.6 Å²	48.6	15%	0.152	27%	0.268	C	S	.	.	S	Bend	trans	-72	139.5	176.3	-77.4	173.3	0	0	0	110.4	F260 I269 S270 A277 V279 K319 W327	F260-L273 HydrophobicContact CE2-CD1 4Å; F260-L273 HydrophobicContact CZ-CD1 3.96Å; I269-L273 HydrophobicContact CG2-CD1 4.16Å; I269-L273 HydrophobicContact CG2-CD2 4.46Å; I269-L273 HydrophobicContact CG2-CG 4.04Å; I269-L273 VanDerWaalsContact O-CG 3.31Å; I269-L273 WeakPolarHBondContact O-CG 3.04Å; I269-L273 PolarHBondContact O-N 3.5Å; I269-L273 VanDerWaalsContact O-N 3.12Å; S270-L273 PolarHBondContact O-N 3.09Å; L273-A277 HydrophobicContact CB-CB 3.66Å; L273-A277 HydrophobicContact CD1-CB 4.21Å; L273-A277 HydrophobicContact CD2-CB 4.16Å; L273-A277 HydrophobicContact CG-CB 4.21Å; L273-V279 HydrophobicContact CD1-CG2 3.84Å; L273-K319 WeakPolarHBondContact O-CD 3.49Å; L273-K319 WeakPolarHBondContact O-CE 3.33Å; L273-K319 PolarHBondContact O-NZ 3.04Å; L273-W327 HydrophobicContact CB-CH2 4.07Å; L273-W327 HydrophobicContact CB-CZ2 4.39Å; L273-W327 HydrophobicContact CD1-CH2 3.69Å; L273-W327 HydrophobicContact CD1-CZ2 4.35Å
274	P	54.1	Low	58.6	Low	40 Å²	40	49 Å²	49	26%	0.26	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-71.8	157.3	178.7	-7.6	22.4	0	0	0	111.6	K253 L255 G276 A277	K253-P274 HydrophobicContact CD-CG 4.21Å; L255-P274 HydrophobicContact CD2-CB 3.83Å; L255-P274 HydrophobicContact CD2-CG 3.77Å; P274-G276 PolarHBondContact O-N 3.36Å; P274-A277 WeakPolarHBondContact O-CB 3.28Å; P274-A277 PolarHBondContact O-N 3.13Å
275	V	57.7	Low	58.2	Low	66 Å²	66	46.2 Å²	46.2	40%	0.4	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	133.5	159.5	178.4	0	0	0	0	109.9	L255 I320 N322	L255-V275 WeakPolarHBondContact CD1-O 3.26Å; V275-I320 VanDerWaalsContact CG1-O 3.29Å; V275-I320 WeakPolarHBondContact CG1-O 3.33Å; V275-N322 HydrophobicContact CG2-CB 4.24Å; V275-N322 WeakPolarHBondContact CG2-OD1 3.25Å; V275-N322 PolarHBondContact N-OD1 3.16Å
276	G	47	Very low	57.9	Low	16 Å²	16	47.8 Å²	47.8	17%	0.165	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	-2.1	-173.6	0	0	0	0	0	114.4	L255 P274 L278 K319	L255-G276 VanDerWaalsContact CB-O 3.28Å; L255-G276 WeakPolarHBondContact CB-O 3.28Å; L255-G276 VanDerWaalsContact CD1-O 3.27Å; L255-G276 WeakPolarHBondContact CD1-O 3.27Å; L255-G276 VanDerWaalsContact CD2-C 3.47Å; P274-G276 PolarHBondContact O-N 3.36Å; G276-L278 PolarHBondContact O-N 3.28Å; G276-K319 WeakPolarHBondContact CA-O 3.43Å; G276-K319 PolarHBondContact N-O 2.81Å
277	A	50.2	Low	57.5	Low	1 Å²	1	51.1 Å²	51.1	1%	0.008	28%	0.279	C	S	.	.			trans	-61.4	127.9	-178.5	0	0	0	0	0	109.7	L255 L273 P274 M318 K319 W327	L255-A277 HydrophobicContact CD2-CB 3.72Å; L273-A277 HydrophobicContact CB-CB 3.66Å; L273-A277 HydrophobicContact CD1-CB 4.21Å; L273-A277 HydrophobicContact CD2-CB 4.16Å; L273-A277 HydrophobicContact CG-CB 4.21Å; P274-A277 WeakPolarHBondContact O-CB 3.28Å; P274-A277 PolarHBondContact O-N 3.13Å; A277-M318 CarbonylContact O-C 3.46Å; A277-M318 VanDerWaalsContact O-CA 3.24Å; A277-M318 WeakPolarHBondContact O-CA 3.43Å; A277-K319 HydrophobicContact CB-CB 4.27Å; A277-K319 PolarHBondContact O-N 2.99Å; A277-W327 HydrophobicContact CB-CH2 4.05Å; A277-W327 HydrophobicContact CB-CZ3 4.27Å; A277-W327 VanDerWaalsContact O-CZ3 3.31Å; A277-W327 WeakPolarHBondContact O-CZ3 3.42Å
278	L	53.4	Low	56.9	Low	42 Å²	42	46.6 Å²	46.6	22%	0.22	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.8	177.4	-69.2	176.3	0	0	0	109	V257 K258 G276 L316 F317 M318 L330	V257-L278 CarbonylContact C-O 3.59Å; V257-L278 VanDerWaalsContact CA-O 3.29Å; V257-L278 WeakPolarHBondContact CA-O 3.32Å; V257-L278 HydrophobicContact CB-CB 4.22Å; V257-L278 HydrophobicContact CG1-CB 4.31Å; V257-L278 HydrophobicContact CG2-CB 3.74Å; V257-L278 HydrophobicContact CG2-CD1 3.82Å; V257-L278 HydrophobicContact CG2-CG 4.45Å; K258-L278 PolarHBondContact N-O 2.86Å; G276-L278 PolarHBondContact O-N 3.28Å; L278-L316 HydrophobicContact CB-CD1 4.2Å; L278-L316 HydrophobicContact CD2-CD1 4.29Å; L278-L316 HydrophobicContact CD2-CD2 4.49Å; L278-L316 HydrophobicContact CD2-CG 4.37Å; L278-F317 CarbonylContact C-O 3.58Å; L278-F317 WeakPolarHBondContact CA-O 3.44Å; L278-M318 HydrophobicContact CD2-CB 3.91Å; L278-M318 HydrophobicContact CD2-CG 4.05Å; L278-L330 HydrophobicContact CD2-CD1 3.47Å; L278-L330 VanDerWaalsContact CD2-CD1 3.47Å
279	V	57.4	Low	56.4	Low	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	125.3	-178.4	163.8	0	0	0	0	108.5	K258 F260 F266 L273 T281 L316 F317 W327	K258-V279 CarbonylContact O-C 3.07Å; K258-V279 VanDerWaalsContact O-CA 3.26Å; K258-V279 WeakPolarHBondContact O-CA 3.45Å; F260-V279 HydrophobicContact CD2-CB 4.12Å; F260-V279 HydrophobicContact CD2-CG1 3.3Å; F260-V279 HydrophobicContact CD2-CG2 3.89Å; F260-V279 HydrophobicContact CE2-CB 4.19Å; F260-V279 HydrophobicContact CE2-CG1 3.8Å; F260-V279 HydrophobicContact CE2-CG2 3.44Å; F260-V279 VanDerWaalsContact CE2-CG2 3.44Å; F260-V279 HydrophobicContact CG-CG1 4.27Å; F266-V279 HydrophobicContact CD2-CG1 3.86Å; F266-V279 HydrophobicContact CE2-CB 4.29Å; F266-V279 HydrophobicContact CE2-CG1 3.79Å; F266-V279 HydrophobicContact CE2-CG2 4.24Å; L273-V279 HydrophobicContact CD1-CG2 3.84Å; V279-T281 HydrophobicContact CG1-CG2 4.4Å; V279-L316 CarbonylContact O-C 3.48Å; V279-L316 WeakPolarHBondContact O-CA 3.28Å; V279-F317 HydrophobicContact CB-CB 4.41Å; V279-F317 PolarHBondContact N-O 3.33Å; V279-F317 PolarHBondContact O-N 3.24Å; V279-W327 HydrophobicContact CB-CE3 4.43Å; V279-W327 HydrophobicContact CB-CZ3 3.86Å; V279-W327 HydrophobicContact CG2-CE3 4.35Å; V279-W327 HydrophobicContact CG2-CH2 3.61Å; V279-W327 HydrophobicContact CG2-CZ3 3.36Å
280	V	62.2	Low	56	Low	27 Å²	27	47.7 Å²	47.7	16%	0.164	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129	170.5	173	0	0	0	0	107.2	V257 K258 I259 F260 L314 G315 L316	V257-V280 HydrophobicContact CG1-CB 4.28Å; V257-V280 HydrophobicContact CG1-CG2 3.44Å; V257-V280 VanDerWaalsContact CG1-CG2 3.44Å; K258-V280 PolarHBondContact O-N 3.26Å; I259-V280 CarbonylContact C-O 3.5Å; I259-V280 VanDerWaalsContact CA-O 3.25Å; I259-V280 WeakPolarHBondContact CA-O 3.12Å; I259-V280 HydrophobicContact CG1-CB 4.15Å; F260-V280 PolarHBondContact N-O 2.79Å; V280-L314 HydrophobicContact CG1-CB 4.31Å; V280-L314 HydrophobicContact CG1-CD2 3.3Å; V280-L314 HydrophobicContact CG1-CG 4.4Å; V280-G315 WeakPolarHBondContact CA-O 3.37Å; V280-L316 HydrophobicContact CG2-CD1 3.5Å; V280-L316 VanDerWaalsContact CG2-CD1 3.5Å
281	T	55.6	Low	55.6	Low	1 Å²	1	49 Å²	49	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.9	178.3	175.3	0	0	0	0	110.1	F260 V279 L283 I288 L314 G315 F317	F260-T281 PolarHBondContact O-OG1 2.89Å; V279-T281 HydrophobicContact CG1-CG2 4.4Å; T281-L283 WeakPolarHBondContact OG1-CB 3.43Å; T281-L283 WeakPolarHBondContact OG1-CD1 3.29Å; T281-L283 WeakPolarHBondContact OG1-CG 3.24Å; T281-L283 PolarHBondContact OG1-N 3.21Å; T281-L283 VanDerWaalsContact OG1-N 3.15Å; T281-I288 HydrophobicContact CG2-CD1 3.19Å; T281-I288 HydrophobicContact CG2-CG1 4.06Å; T281-L314 WeakPolarHBondContact O-CA 3.3Å; T281-G315 PolarHBondContact N-O 3.38Å; T281-G315 PolarHBondContact O-N 3.01Å; T281-F317 HydrophobicContact CG2-CD2 3.6Å; T281-F317 HydrophobicContact CG2-CE2 3.44Å; T281-F317 VanDerWaalsContact CG2-CE2 3.44Å; T281-F317 HydrophobicContact CG2-CZ 4.48Å
282	E	54.8	Low	55.2	Low	119 Å²	119	46.4 Å²	46.4	56%	0.556	25%	0.253	S	S	*	.			trans	-80.6	-2.4	174.6	-65.3	174.3	177.1	0	0	111.6	L314	E282-L314 HydrophobicContact CG-CD2 3.68Å; E282-L314 HydrophobicContact CG-CG 4.21Å
283	L	53.2	Low	54.2	Low	20 Å²	20	45.2 Å²	45.2	11%	0.105	25%	0.249	C	C	.	.	S	Bend	trans	-69.9	136	-177.5	-63.6	170.1	0	0	0	110.7	P263 T281 I288	P263-L283 HydrophobicContact CB-CD1 4.06Å; P263-L283 HydrophobicContact CG-CD1 3.85Å; P263-L283 HydrophobicContact CG-CD2 3.62Å; P263-L283 HydrophobicContact CG-CG 4.39Å; T281-L283 WeakPolarHBondContact OG1-CB 3.43Å; T281-L283 WeakPolarHBondContact OG1-CD1 3.29Å; T281-L283 WeakPolarHBondContact OG1-CG 3.24Å; T281-L283 PolarHBondContact OG1-N 3.21Å; T281-L283 VanDerWaalsContact OG1-N 3.15Å; L283-I288 HydrophobicContact CB-CD1 3.85Å; L283-I288 HydrophobicContact CB-CG1 3.7Å; L283-I288 HydrophobicContact CD1-CG1 4.24Å; L283-I288 WeakPolarHBondContact O-CD1 3.23Å
284	P	55	Low	53.4	Low	45 Å²	45	49.7 Å²	49.7	29%	0.292	27%	0.273	S	S	.	.			trans	-63.2	144.7	177	28.6	-34.5	0	0	0	110.1	H286 E287	P284-H286 WeakPolarHBondContact CB-CE1 3.13Å; P284-H286 VanDerWaalsContact CG-CE1 3.4Å; P284-H286 WeakPolarHBondContact CG-CE1 3.25Å; P284-H286 PolarHBondContact O-N 2.88Å; P284-E287 HydrophobicContact CG-CB 4.47Å; P284-E287 HydrophobicContact CG-CG 4.04Å; P284-E287 PolarHBondContact O-N 3.14Å
285	N	51.7	Low	52.7	Low	52 Å²	52	54.2 Å²	54.2	28%	0.278	30%	0.295	S	S	.	.	H	α-helix	trans	-54	-29.6	-166.4	-131.7	37.8	0	0	0	114.4	L289 F317 R329	N285-L289 WeakPolarHBondContact O-CD1 3.33Å; N285-L289 VanDerWaalsContact O-CG 3.28Å; N285-L289 WeakPolarHBondContact O-CG 3.34Å; N285-L289 PolarHBondContact O-N 3Å; N285-F317 WeakPolarHBondContact OD1-CZ 3.39Å; N285-R329 PolarHBondContact ND2-NH1 3.49Å; N285-R329 VanDerWaalsContact OD1-CD 3.23Å; N285-R329 WeakPolarHBondContact OD1-CD 3.38Å; N285-R329 VanDerWaalsContact OD1-CZ 3.23Å; N285-R329 PolarHBondContact OD1-NE 3.31Å; N285-R329 PolarHBondContact OD1-NH1 3.08Å
286	H	57.5	Low	51.6	Low	101 Å²	101	59 Å²	59	47%	0.468	31%	0.313	S	S	.	.	H	α-helix	trans	-71.5	-36.6	179.5	60.6	-88.3	0	0	0	112.8	P284 S290 W308	P284-H286 WeakPolarHBondContact CB-CE1 3.13Å; P284-H286 VanDerWaalsContact CG-CE1 3.4Å; P284-H286 WeakPolarHBondContact CG-CE1 3.25Å; P284-H286 PolarHBondContact O-N 2.88Å; H286-S290 WeakPolarHBondContact O-CB 3.14Å; H286-S290 PolarHBondContact O-N 3.46Å; H286-S290 PolarHBondContact O-OG 3.21Å; H286-W308 AromaticContact ND1-CH2 3.9Å
287	E	55	Low	50.9	Low	73 Å²	73	65.2 Å²	65.2	34%	0.341	34%	0.341	S	S	.	.	H	α-helix	trans	-68.5	-43.9	179.4	-72.1	-177.3	171.5	0	0	110.8	P284 L289 S290 L291	P284-E287 HydrophobicContact CG-CB 4.47Å; P284-E287 HydrophobicContact CG-CG 4.04Å; P284-E287 PolarHBondContact O-N 3.14Å; E287-L289 VanDerWaalsContact C-N 3.35Å; E287-L289 PolarHBondContact O-N 3.15Å; E287-S290 WeakPolarHBondContact CA-OG 3.36Å; E287-S290 PolarHBondContact O-N 2.79Å; E287-S290 PolarHBondContact O-OG 3.11Å; E287-L291 WeakPolarHBondContact O-CD1 3.08Å; E287-L291 WeakPolarHBondContact O-CG 3.34Å; E287-L291 PolarHBondContact O-N 2.96Å
288	I	52.2	Low	49.8	Very low	1 Å²	1	70.1 Å²	70.1	1%	0.005	38%	0.375	C	S	.	.	H	α-helix	trans	-63.1	-42.2	178.6	-61.3	159.9	0	0	0	111.2	F266 T281 L283 S290 L291 I292 F317	F266-I288 HydrophobicContact CE1-CG2 4.46Å; T281-I288 HydrophobicContact CG2-CD1 3.19Å; T281-I288 HydrophobicContact CG2-CG1 4.06Å; L283-I288 HydrophobicContact CB-CD1 3.85Å; L283-I288 HydrophobicContact CB-CG1 3.7Å; L283-I288 HydrophobicContact CD1-CG1 4.24Å; L283-I288 WeakPolarHBondContact O-CD1 3.23Å; I288-S290 VanDerWaalsContact C-N 3.35Å; I288-L291 PolarHBondContact O-N 3.13Å; I288-I292 HydrophobicContact CG2-CD1 3.44Å; I288-I292 VanDerWaalsContact CG2-CD1 3.44Å; I288-I292 HydrophobicContact CG2-CG1 4.43Å; I288-I292 VanDerWaalsContact O-CD1 3.23Å; I288-I292 WeakPolarHBondContact O-CD1 3.09Å; I288-I292 WeakPolarHBondContact O-CG1 3.34Å; I288-I292 PolarHBondContact O-N 2.85Å; I288-F317 HydrophobicContact CB-CZ 4.42Å; I288-F317 HydrophobicContact CD1-CD2 4.22Å; I288-F317 HydrophobicContact CD1-CE1 4.09Å; I288-F317 HydrophobicContact CD1-CE2 3.34Å; I288-F317 HydrophobicContact CD1-CZ 3.26Å; I288-F317 HydrophobicContact CG1-CZ 4.45Å; I288-F317 HydrophobicContact CG2-CD1 4.2Å; I288-F317 HydrophobicContact CG2-CE1 3.93Å; I288-F317 HydrophobicContact CG2-CZ 4.19Å
289	L	51.7	Low	48.6	Very low	85 Å²	85	76.9 Å²	76.9	45%	0.445	40%	0.403	S	S	.	.	H	α-helix	trans	-67.5	-35.5	177.8	-70.7	168.2	0	0	0	112	N285 E287 L291 I292 N293	N285-L289 WeakPolarHBondContact O-CD1 3.33Å; N285-L289 VanDerWaalsContact O-CG 3.28Å; N285-L289 WeakPolarHBondContact O-CG 3.34Å; N285-L289 PolarHBondContact O-N 3Å; E287-L289 VanDerWaalsContact C-N 3.35Å; E287-L289 PolarHBondContact O-N 3.15Å; L289-L291 VanDerWaalsContact C-N 3.32Å; L289-I292 PolarHBondContact O-N 3.16Å; L289-N293 WeakPolarHBondContact O-CB 3.43Å; L289-N293 PolarHBondContact O-N 2.57Å
290	S	55.8	Low	47.5	Very low	76 Å²	76	87.9 Å²	87.9	53%	0.531	44%	0.444	S	S	.	.	H	α-helix	trans	-68.3	-29.1	173	72.7	0	0	0	0	113.4	H286 E287 I288	H286-S290 WeakPolarHBondContact O-CB 3.14Å; H286-S290 PolarHBondContact O-N 3.46Å; H286-S290 PolarHBondContact O-OG 3.21Å; E287-S290 WeakPolarHBondContact CA-OG 3.36Å; E287-S290 PolarHBondContact O-N 2.79Å; E287-S290 PolarHBondContact O-OG 3.11Å; I288-S290 VanDerWaalsContact C-N 3.35Å
291	L	53.9	Low	45.9	Very low	30 Å²	30	93 Å²	93	16%	0.157	47%	0.471	C	S	.	.	H	α-helix	trans	-82.1	-14	179	-64.2	157.1	0	0	0	113.2	P263 K267 E287 I288 L289	P263-L291 HydrophobicContact CB-CD1 3.75Å; P263-L291 HydrophobicContact CB-CD2 4.44Å; K267-L291 HydrophobicContact CD-CD2 3.61Å; K267-L291 HydrophobicContact CG-CD2 3.98Å; K267-L291 VanDerWaalsContact NZ-CD2 3.33Å; E287-L291 WeakPolarHBondContact O-CD1 3.08Å; E287-L291 WeakPolarHBondContact O-CG 3.34Å; E287-L291 PolarHBondContact O-N 2.96Å; I288-L291 PolarHBondContact O-N 3.13Å; L289-L291 VanDerWaalsContact C-N 3.32Å
292	I	54.8	Low	44.7	Very low	19 Å²	19	101.7 Å²	101.7	10%	0.097	51%	0.509	C	S	.	.	H	α-helix	trans	-102.9	-24.9	-176.1	-67.4	165.4	0	0	0	111.8	F266 I288 L289 W327	F266-I292 HydrophobicContact CE1-CD1 3.95Å; F266-I292 HydrophobicContact CE1-CG1 3.81Å; F266-I292 HydrophobicContact CZ-CD1 4.1Å; F266-I292 HydrophobicContact CZ-CG1 4.34Å; I288-I292 HydrophobicContact CG2-CD1 3.44Å; I288-I292 VanDerWaalsContact CG2-CD1 3.44Å; I288-I292 HydrophobicContact CG2-CG1 4.43Å; I288-I292 VanDerWaalsContact O-CD1 3.23Å; I288-I292 WeakPolarHBondContact O-CD1 3.09Å; I288-I292 WeakPolarHBondContact O-CG1 3.34Å; I288-I292 PolarHBondContact O-N 2.85Å; L289-I292 PolarHBondContact O-N 3.16Å; I292-W327 HydrophobicContact CD1-CB 3.81Å; I292-W327 HydrophobicContact CD1-CG 3.83Å
293	N	45.7	Very low	43.5	Very low	107 Å²	107	102.9 Å²	102.9	57%	0.572	52%	0.519	S	S	*	.			trans	-102.7	27	-172.1	-73.3	-8.6	0	0	0	114.3	L289 D295	L289-N293 WeakPolarHBondContact O-CB 3.43Å; L289-N293 PolarHBondContact O-N 2.57Å; N293-D295 PolarHBondContact O-N 3.47Å
294	D	42.6	Very low	42.5	Very low	122 Å²	122	110.8 Å²	110.8	65%	0.652	55%	0.553	S	S	*	*	S	Bend	trans	-67.7	113	160.8	-84.2	-28.9	0	0	0	107.5
295	D	39.3	Very low	41.3	Very low	135 Å²	135	117.9 Å²	117.9	72%	0.722	58%	0.582	S	S	*	*	S	Bend	trans	82.7	97.7	176.7	-61.6	-23	0	0	0	118.4	N293	N293-D295 PolarHBondContact O-N 3.47Å
296	H	33.5	Very low	40.3	Very low	168 Å²	168	121.8 Å²	121.8	78%	0.778	60%	0.602	S	S	*	*	S	Bend	trans	60.3	80.5	148.8	-64.1	-80	0	0	0	117.8
297	L	32.7	Very low	39.1	Very low	146 Å²	146	125.8 Å²	125.8	76%	0.764	62%	0.62	S	S	*	*			trans	-173.3	94.8	134.3	-96.9	151.7	0	0	0	111.1
298	S	27.8	Very low	37.8	Very low	103 Å²	103	132.4 Å²	132.4	72%	0.72	64%	0.642	S	S	*	*			trans	-57	151.5	160	54.2	0	0	0	0	112.5
299	K	29.2	Very low	36.7	Very low	185 Å²	185	139 Å²	139	80%	0.804	68%	0.677	S	S	*	*			trans	95	64.8	166.1	-62.1	-178	170.8	177.8	0	117.8
300	W	32.2	Very low	35.7	Very low	230 Å²	230	140.1 Å²	140.1	87%	0.871	69%	0.69	S	S	*	*			trans	-120.9	100	142.7	-84.5	54.1	0	0	0	108.6	F302	W300-F302 PolarHBondContact O-N 3.12Å
301	D	28.8	Very low	34.4	Very low	136 Å²	136	141.9 Å²	141.9	73%	0.727	70%	0.697	S	S	*	*			trans	-59.7	112.2	174.2	-101.1	-50.2	0	0	0	110.7	N303	D301-N303 PolarHBondContact OD1-ND2 3.13Å
302	F	32	Very low	33.3	Very low	182 Å²	182	147.4 Å²	147.4	80%	0.798	73%	0.727	S	S	*	*			trans	-119.4	56.5	156	-93.7	-83.1	0	0	0	109.3	W300 K304	W300-F302 PolarHBondContact O-N 3.12Å; F302-K304 VanDerWaalsContact C-N 3.31Å; F302-K304 PolarHBondContact O-N 2.99Å; F302-K304 VanDerWaalsContact O-N 3.16Å
303	N	28	Very low	32.6	Very low	144 Å²	144	149.3 Å²	149.3	77%	0.77	74%	0.742	S	S	*	*			trans	-75	86.5	156.3	-83.7	-34.4	0	0	0	108.7	D301	D301-N303 PolarHBondContact OD1-ND2 3.13Å
304	K	34	Very low	32.7	Very low	186 Å²	186	147.8 Å²	147.8	81%	0.809	73%	0.734	S	S	*	*	S	Bend	trans	-163.4	116.5	151.3	-110.6	171.1	-173.9	-178.3	0	109.3	F302 I306	F302-K304 VanDerWaalsContact C-N 3.31Å; F302-K304 PolarHBondContact O-N 2.99Å; F302-K304 VanDerWaalsContact O-N 3.16Å; K304-I306 PolarHBondContact O-N 3Å
305	E	27.9	Very low	33.4	Very low	195 Å²	195	142.1 Å²	142.1	91%	0.911	70%	0.703	S	S	*	*			trans	-32	110.9	178.3	-65.9	165.4	137.1	0	0	113.4
306	I	31.8	Very low	34.3	Very low	134 Å²	134	137.4 Å²	137.4	69%	0.687	68%	0.678	S	S	*	*			trans	-109.5	103.2	158.5	-61.9	177.7	0	0	0	105.3	K304 W308	K304-I306 PolarHBondContact O-N 3Å; I306-W308 PolarHBondContact O-N 2.71Å
307	Q	31.5	Very low	35.6	Very low	185 Å²	185	129.6 Å²	129.6	86%	0.864	64%	0.642	S	S	*	*			trans	-49	123.5	172.3	-79.6	179.7	-19.7	0	0	109.7	N309	Q307-N309 PolarHBondContact O-N 3.37Å
308	W	28.5	Very low	36.9	Very low	212 Å²	212	125.4 Å²	125.4	80%	0.803	62%	0.619	S	S	*	*			trans	-67.8	111.4	179.6	-77.9	64	0	0	0	109.6	H286 I306	H286-W308 AromaticContact ND1-CH2 3.9Å; I306-W308 PolarHBondContact O-N 2.71Å
309	N	28.7	Very low	38.5	Very low	138 Å²	138	120.6 Å²	120.6	74%	0.738	59%	0.585	S	S	*	*			trans	-105.2	111	162.4	-128.5	-4.1	0	0	0	107.5	Q307 V311	Q307-N309 PolarHBondContact O-N 3.37Å; N309-V311 PolarHBondContact O-N 3.41Å
310	P	31.1	Very low	40.1	Very low	110 Å²	110	115.4 Å²	115.4	71%	0.714	57%	0.565	S	S	*	*			trans	-74.8	24.3	-168.9	29.8	-34	0	0	0	114.3	N312	P310-N312 PolarHBondContact O-N 2.67Å; P310-N312 VanDerWaalsContact O-N 3.16Å
311	V	29	Very low	41.7	Very low	112 Å²	112	107.6 Å²	107.6	68%	0.679	54%	0.539	S	S	*	.	S	Bend	trans	-88.8	84.9	178.2	-169.6	0	0	0	0	109.2	N309 S313	N309-V311 PolarHBondContact O-N 3.41Å; V311-S313 PolarHBondContact O-N 3.18Å
312	N	29.9	Very low	43.3	Very low	146 Å²	146	105.7 Å²	105.7	78%	0.781	53%	0.529	S	S	*	.			trans	41.3	61	152.2	-59.4	-15.8	0	0	0	115.7	P310 L314	P310-N312 PolarHBondContact O-N 2.67Å; P310-N312 VanDerWaalsContact O-N 3.16Å; N312-L314 PolarHBondContact O-N 3.39Å
313	S	39.6	Very low	44.9	Very low	59 Å²	59	103.8 Å²	103.8	41%	0.413	53%	0.525	S	S	.	.			trans	-78.9	87.7	-175.3	61.3	0	0	0	0	111.6	V311 G315	V311-S313 PolarHBondContact O-N 3.18Å; S313-G315 PolarHBondContact O-N 2.83Å
314	L	48.8	Very low	46.8	Very low	76 Å²	76	101.9 Å²	101.9	40%	0.398	51%	0.511	S	S	.	.			trans	-45.1	107.6	154.1	-79.2	153.9	0	0	0	108.4	V280 T281 E282 N312	V280-L314 HydrophobicContact CG1-CB 4.31Å; V280-L314 HydrophobicContact CG1-CD2 3.3Å; V280-L314 HydrophobicContact CG1-CG 4.4Å; T281-L314 WeakPolarHBondContact O-CA 3.3Å; E282-L314 HydrophobicContact CG-CD2 3.68Å; E282-L314 HydrophobicContact CG-CG 4.21Å; N312-L314 PolarHBondContact O-N 3.39Å
315	G	56.8	Low	48.4	Very low	2 Å²	2	94.7 Å²	94.7	2%	0.021	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	131.1	173.9	0	0	0	0	0	109.8	V280 T281 S313 F317	V280-G315 WeakPolarHBondContact CA-O 3.37Å; T281-G315 PolarHBondContact N-O 3.38Å; T281-G315 PolarHBondContact O-N 3.01Å; S313-G315 PolarHBondContact O-N 2.83Å; G315-F317 WeakPolarHBondContact O-CD2 3.4Å; G315-F317 WeakPolarHBondContact O-CE2 3.49Å
316	L	59.6	Low	50.2	Low	36 Å²	36	87.1 Å²	87.1	19%	0.188	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	124.6	166.5	-175.9	68.2	0	0	0	108.3	V257 L278 V279 V280 R329 L330 V332	V257-L316 HydrophobicContact CG1-CD1 4.18Å; L278-L316 HydrophobicContact CB-CD1 4.2Å; L278-L316 HydrophobicContact CD2-CD1 4.29Å; L278-L316 HydrophobicContact CD2-CD2 4.49Å; L278-L316 HydrophobicContact CD2-CG 4.37Å; V279-L316 CarbonylContact O-C 3.48Å; V279-L316 WeakPolarHBondContact O-CA 3.28Å; V280-L316 HydrophobicContact CG2-CD1 3.5Å; V280-L316 VanDerWaalsContact CG2-CD1 3.5Å; L316-R329 CarbonylContact O-C 3.59Å; L316-L330 HydrophobicContact CB-CB 4.27Å; L316-L330 HydrophobicContact CD2-CB 3.98Å; L316-L330 HydrophobicContact CD2-CD1 3.65Å; L316-L330 HydrophobicContact CD2-CG 4.41Å; L316-L330 HydrophobicContact CG-CB 4.12Å; L316-L330 HydrophobicContact CG-CD1 3.98Å; L316-L330 HydrophobicContact CG-CG 4.46Å; L316-L330 PolarHBondContact O-N 3.04Å; L316-V332 HydrophobicContact CB-CG2 3.73Å; L316-V332 HydrophobicContact CD2-CG2 3.62Å; L316-V332 HydrophobicContact CG-CG2 4.33Å
317	F	58.9	Low	51.9	Low	5 Å²	5	81.7 Å²	81.7	2%	0.022	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.3	179.5	-62.7	-95.5	0	0	0	109.3	L278 V279 T281 N285 I288 G315 W327 K328 R329	L278-F317 CarbonylContact C-O 3.58Å; L278-F317 WeakPolarHBondContact CA-O 3.44Å; V279-F317 HydrophobicContact CB-CB 4.41Å; V279-F317 PolarHBondContact N-O 3.33Å; V279-F317 PolarHBondContact O-N 3.24Å; T281-F317 HydrophobicContact CG2-CD2 3.6Å; T281-F317 HydrophobicContact CG2-CE2 3.44Å; T281-F317 VanDerWaalsContact CG2-CE2 3.44Å; T281-F317 HydrophobicContact CG2-CZ 4.48Å; N285-F317 WeakPolarHBondContact OD1-CZ 3.39Å; I288-F317 HydrophobicContact CB-CZ 4.42Å; I288-F317 HydrophobicContact CD1-CD2 4.22Å; I288-F317 HydrophobicContact CD1-CE1 4.09Å; I288-F317 HydrophobicContact CD1-CE2 3.34Å; I288-F317 HydrophobicContact CD1-CZ 3.26Å; I288-F317 HydrophobicContact CG1-CZ 4.45Å; I288-F317 HydrophobicContact CG2-CD1 4.2Å; I288-F317 HydrophobicContact CG2-CE1 3.93Å; I288-F317 HydrophobicContact CG2-CZ 4.19Å; G315-F317 WeakPolarHBondContact O-CD2 3.4Å; G315-F317 WeakPolarHBondContact O-CE2 3.49Å; F317-W327 HydrophobicContact CB-CE3 4.09Å; F317-K328 CarbonylContact C-O 3.58Å; F317-K328 WeakPolarHBondContact CA-O 3.31Å; F317-R329 HydrophobicContact CD1-CB 3.97Å; F317-R329 HydrophobicContact CD1-CG 4.3Å; F317-R329 HydrophobicContact CE1-CB 3.78Å; F317-R329 HydrophobicContact CE1-CG 3.89Å; F317-R329 HydrophobicContact CZ-CB 4.49Å; F317-R329 HydrophobicContact CZ-CG 4.1Å
318	M	61.2	Low	53.3	Low	57 Å²	57	78.2 Å²	78.2	28%	0.281	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.2	176.9	-174.8	177.8	69.8	0	0	109.2	A277 L278 I320 W327 K328 L330	A277-M318 CarbonylContact O-C 3.46Å; A277-M318 VanDerWaalsContact O-CA 3.24Å; A277-M318 WeakPolarHBondContact O-CA 3.43Å; L278-M318 HydrophobicContact CD2-CB 3.91Å; L278-M318 HydrophobicContact CD2-CG 4.05Å; M318-I320 HydrophobicContact CE-CG2 4.06Å; M318-I320 PolarHBondContact O-N 2.81Å; M318-W327 CarbonylContact O-C 3.5Å; M318-W327 WeakPolarHBondContact O-CA 3.45Å; M318-K328 PolarHBondContact N-O 2.63Å; M318-K328 PolarHBondContact O-N 2.88Å; M318-L330 HydrophobicContact CB-CD1 4.04Å; M318-L330 HydrophobicContact CB-CD2 4.24Å; M318-L330 HydrophobicContact CB-CG 4.04Å; M318-L330 HydrophobicContact CE-CD2 4.38Å
319	K	60.7	Low	54.8	Low	2 Å²	2	73.1 Å²	73.1	1%	0.009	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	126	172.2	-164.2	170.7	-178.8	171.1	0	109.1	S270 S271 L273 G276 A277 E321 N322 N325 T326 W327	S270-K319 PolarHBondContact O-NZ 2.82Å; S271-K319 PolarHBondContact O-NZ 3.21Å; S271-K319 VanDerWaalsContact O-NZ 3.15Å; L273-K319 WeakPolarHBondContact O-CD 3.49Å; L273-K319 WeakPolarHBondContact O-CE 3.33Å; L273-K319 PolarHBondContact O-NZ 3.04Å; G276-K319 WeakPolarHBondContact CA-O 3.43Å; G276-K319 PolarHBondContact N-O 2.81Å; A277-K319 HydrophobicContact CB-CB 4.27Å; A277-K319 PolarHBondContact O-N 2.99Å; K319-E321 WeakPolarHBondContact CE-O 3.36Å; K319-N322 WeakPolarHBondContact CE-OD1 3.43Å; K319-N325 WeakPolarHBondContact CE-OD1 3.44Å; K319-N325 PolarHBondContact NZ-OD1 2.81Å; K319-T326 CarbonylContact C-O 3.54Å; K319-T326 WeakPolarHBondContact CA-O 3.44Å; K319-W327 HydrophobicContact CB-CD2 4Å; K319-W327 HydrophobicContact CB-CE3 3.83Å; K319-W327 HydrophobicContact CB-CH2 3.7Å; K319-W327 HydrophobicContact CB-CZ2 3.88Å; K319-W327 HydrophobicContact CB-CZ3 3.68Å; K319-W327 HydrophobicContact CD-CH2 4.17Å; K319-W327 HydrophobicContact CD-CZ2 3.73Å; K319-W327 HydrophobicContact CG-CD2 4.28Å; K319-W327 HydrophobicContact CG-CH2 4.28Å; K319-W327 HydrophobicContact CG-CZ2 3.94Å
320	I	62.9	Low	55.9	Low	76 Å²	76	69 Å²	69	39%	0.39	36%	0.361	S	S	.	.			trans	-102.6	-24	-179.5	58.4	174	0	0	0	112.3	V275 M318 T326 K328	V275-I320 VanDerWaalsContact CG1-O 3.29Å; V275-I320 WeakPolarHBondContact CG1-O 3.33Å; M318-I320 HydrophobicContact CE-CG2 4.06Å; M318-I320 PolarHBondContact O-N 2.81Å; I320-T326 HydrophobicContact CD1-CG2 3.69Å; I320-T326 HydrophobicContact CG1-CG2 3.89Å; I320-T326 WeakPolarHBondContact CG1-O 3.14Å; I320-T326 PolarHBondContact N-O 3.41Å; I320-K328 HydrophobicContact CG2-CB 3.5Å; I320-K328 HydrophobicContact CG2-CD 4.34Å
321	E	65.3	Low	56.8	Low	67 Å²	67	71.8 Å²	71.8	31%	0.313	36%	0.363	S	S	.	.			trans	-149.7	145.6	-175.6	-175.9	172.3	179.8	0	0	111.4	K319 I323 H324 T326	K319-E321 WeakPolarHBondContact CE-O 3.36Å; E321-I323 HydrophobicContact CG-CB 4.29Å; E321-I323 WeakPolarHBondContact OE1-CB 3.17Å; E321-H324 IonicContact OE1-CD2 3.35Å; E321-H324 PolarHBondContact OE1-CD2 3.42Å; E321-H324 IonicContact OE2-CD2 3.84Å; E321-T326 PolarHBondContact O-N 2.94Å
322	N	64	Low	57.7	Low	96 Å²	96	69.4 Å²	69.4	51%	0.513	35%	0.349	S	S	.	.	S	Bend	trans	-86	-40.6	176	-82.4	-12.6	0	0	0	112.9	V275 K319 H324 N325	V275-N322 HydrophobicContact CG2-CB 4.24Å; V275-N322 WeakPolarHBondContact CG2-OD1 3.25Å; V275-N322 PolarHBondContact N-OD1 3.16Å; K319-N322 WeakPolarHBondContact CE-OD1 3.43Å; N322-H324 PolarHBondContact O-N 3.3Å; N322-N325 PolarHBondContact O-N 3.17Å
323	I	64.3	Low	58.2	Low	142 Å²	142	71.4 Å²	71.4	73%	0.728	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-51.2	-170	-59.3	171.8	0	0	0	110.6	E321	E321-I323 HydrophobicContact CG-CB 4.29Å; E321-I323 WeakPolarHBondContact OE1-CB 3.17Å
324	H	68.1	Low	58.1	Low	103 Å²	103	75.2 Å²	75.2	48%	0.477	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	15.4	179.5	-57.4	-65.4	0	0	0	113.1	E321 N322 T326	E321-H324 IonicContact OE1-CD2 3.35Å; E321-H324 PolarHBondContact OE1-CD2 3.42Å; E321-H324 IonicContact OE2-CD2 3.84Å; N322-H324 PolarHBondContact O-N 3.3Å; H324-T326 WeakPolarHBondContact CB-OG1 3.44Å; H324-T326 PolarHBondContact O-N 3.05Å; H324-T326 PolarHBondContact O-OG1 3Å
325	N	67.9	Low	57.2	Low	35 Å²	35	75.7 Å²	75.7	19%	0.187	38%	0.384	C	S	.	.			trans	43.7	41.1	-175.5	-167.9	33.4	0	0	0	113.7	S270 K319 N322 W327	S270-N325 PolarHBondContact O-OD1 3.32Å; S270-N325 PolarHBondContact OG-ND2 3.08Å; K319-N325 WeakPolarHBondContact CE-OD1 3.44Å; K319-N325 PolarHBondContact NZ-OD1 2.81Å; N322-N325 PolarHBondContact O-N 3.17Å; N325-W327 PolarHBondContact O-NE1 3.22Å; N325-W327 VanDerWaalsContact O-NE1 3.09Å; N325-W327 PolarHBondContact OD1-NE1 3.15Å
326	T	64.8	Low	55.8	Low	37 Å²	37	83.5 Å²	83.5	23%	0.227	42%	0.42	C	S	.	.			trans	-82.6	140.3	-167.3	-37.6	0	0	0	0	111.4	K319 I320 E321 H324	K319-T326 CarbonylContact C-O 3.54Å; K319-T326 WeakPolarHBondContact CA-O 3.44Å; I320-T326 HydrophobicContact CD1-CG2 3.69Å; I320-T326 HydrophobicContact CG1-CG2 3.89Å; I320-T326 WeakPolarHBondContact CG1-O 3.14Å; I320-T326 PolarHBondContact N-O 3.41Å; E321-T326 PolarHBondContact O-N 2.94Å; H324-T326 WeakPolarHBondContact CB-OG1 3.44Å; H324-T326 PolarHBondContact O-N 3.05Å; H324-T326 PolarHBondContact O-OG1 3Å
327	W	67.6	Low	54.2	Low	19 Å²	19	89.9 Å²	89.9	7%	0.072	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	143.5	179.2	-58	74.4	0	0	0	112	F266 L273 A277 V279 I292 F317 M318 K319 N325	F266-W327 HydrophobicContact CE2-CD2 4.06Å; F266-W327 AromaticContact CE2-CE2 3.84Å; F266-W327 HydrophobicContact CE2-CE3 4.24Å; F266-W327 HydrophobicContact CE2-CH2 4.08Å; F266-W327 AromaticContact CE2-CZ2 3.88Å; F266-W327 HydrophobicContact CE2-CZ2 3.88Å; F266-W327 HydrophobicContact CE2-CZ3 4.26Å; F266-W327 AromaticContact CZ-CD1 3.83Å; F266-W327 AromaticContact CZ-CD2 3.7Å; F266-W327 HydrophobicContact CZ-CD2 3.7Å; F266-W327 AromaticContact CZ-CE2 3.5Å; F266-W327 VanDerWaalsContact CZ-CE2 3.5Å; F266-W327 HydrophobicContact CZ-CE3 4.29Å; F266-W327 AromaticContact CZ-CG 3.97Å; F266-W327 HydrophobicContact CZ-CG 3.97Å; F266-W327 AromaticContact CZ-CZ2 3.99Å; F266-W327 HydrophobicContact CZ-CZ2 3.99Å; F266-W327 AromaticContact CZ-NE1 3.58Å; L273-W327 HydrophobicContact CB-CH2 4.07Å; L273-W327 HydrophobicContact CB-CZ2 4.39Å; L273-W327 HydrophobicContact CD1-CH2 3.69Å; L273-W327 HydrophobicContact CD1-CZ2 4.35Å; A277-W327 HydrophobicContact CB-CH2 4.05Å; A277-W327 HydrophobicContact CB-CZ3 4.27Å; A277-W327 VanDerWaalsContact O-CZ3 3.31Å; A277-W327 WeakPolarHBondContact O-CZ3 3.42Å; V279-W327 HydrophobicContact CB-CE3 4.43Å; V279-W327 HydrophobicContact CB-CZ3 3.86Å; V279-W327 HydrophobicContact CG2-CE3 4.35Å; V279-W327 HydrophobicContact CG2-CH2 3.61Å; V279-W327 HydrophobicContact CG2-CZ3 3.36Å; I292-W327 HydrophobicContact CD1-CB 3.81Å; I292-W327 HydrophobicContact CD1-CG 3.83Å; F317-W327 HydrophobicContact CB-CE3 4.09Å; M318-W327 CarbonylContact O-C 3.5Å; M318-W327 WeakPolarHBondContact O-CA 3.45Å; K319-W327 HydrophobicContact CB-CD2 4Å; K319-W327 HydrophobicContact CB-CE3 3.83Å; K319-W327 HydrophobicContact CB-CH2 3.7Å; K319-W327 HydrophobicContact CB-CZ2 3.88Å; K319-W327 HydrophobicContact CB-CZ3 3.68Å; K319-W327 HydrophobicContact CD-CH2 4.17Å; K319-W327 HydrophobicContact CD-CZ2 3.73Å; K319-W327 HydrophobicContact CG-CD2 4.28Å; K319-W327 HydrophobicContact CG-CH2 4.28Å; K319-W327 HydrophobicContact CG-CZ2 3.94Å; N325-W327 PolarHBondContact O-NE1 3.22Å; N325-W327 VanDerWaalsContact O-NE1 3.09Å; N325-W327 PolarHBondContact OD1-NE1 3.15Å
328	K	61.3	Low	52.7	Low	112 Å²	112	93.9 Å²	93.9	49%	0.487	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.6	174.6	-177	174.4	-177	175.2	0	109.8	F317 M318 I320 L330	F317-K328 CarbonylContact C-O 3.58Å; F317-K328 WeakPolarHBondContact CA-O 3.31Å; M318-K328 PolarHBondContact N-O 2.63Å; M318-K328 PolarHBondContact O-N 2.88Å; I320-K328 HydrophobicContact CG2-CB 3.5Å; I320-K328 HydrophobicContact CG2-CD 4.34Å; K328-L330 PolarHBondContact O-N 3.09Å
329	R	60	Low	51	Low	106 Å²	106	96.1 Å²	96.1	40%	0.4	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	125.1	169.2	-167.1	179.4	-170.4	-172.6	0.7	109.2	N285 L316 F317	N285-R329 PolarHBondContact ND2-NH1 3.49Å; N285-R329 VanDerWaalsContact OD1-CD 3.23Å; N285-R329 WeakPolarHBondContact OD1-CD 3.38Å; N285-R329 VanDerWaalsContact OD1-CZ 3.23Å; N285-R329 PolarHBondContact OD1-NE 3.31Å; N285-R329 PolarHBondContact OD1-NH1 3.08Å; L316-R329 CarbonylContact O-C 3.59Å; F317-R329 HydrophobicContact CD1-CB 3.97Å; F317-R329 HydrophobicContact CD1-CG 4.3Å; F317-R329 HydrophobicContact CE1-CB 3.78Å; F317-R329 HydrophobicContact CE1-CG 3.89Å; F317-R329 HydrophobicContact CZ-CB 4.49Å; F317-R329 HydrophobicContact CZ-CG 4.1Å
330	L	53.2	Low	49.3	Very low	52 Å²	52	104.3 Å²	104.3	27%	0.272	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	125	170.9	-63.6	-176.5	0	0	0	108.7	L278 L316 M318 K328 V332	L278-L330 HydrophobicContact CD2-CD1 3.47Å; L278-L330 VanDerWaalsContact CD2-CD1 3.47Å; L316-L330 HydrophobicContact CB-CB 4.27Å; L316-L330 HydrophobicContact CD2-CB 3.98Å; L316-L330 HydrophobicContact CD2-CD1 3.65Å; L316-L330 HydrophobicContact CD2-CG 4.41Å; L316-L330 HydrophobicContact CG-CB 4.12Å; L316-L330 HydrophobicContact CG-CD1 3.98Å; L316-L330 HydrophobicContact CG-CG 4.46Å; L316-L330 PolarHBondContact O-N 3.04Å; M318-L330 HydrophobicContact CB-CD1 4.04Å; M318-L330 HydrophobicContact CB-CD2 4.24Å; M318-L330 HydrophobicContact CB-CG 4.04Å; M318-L330 HydrophobicContact CE-CD2 4.38Å; K328-L330 PolarHBondContact O-N 3.09Å; L330-V332 PolarHBondContact O-N 3.2Å; L330-V332 VanDerWaalsContact O-N 3.13Å
331	H	49.9	Very low	47.5	Very low	167 Å²	167	103.1 Å²	103.1	77%	0.773	53%	0.532	S	S	*	.			trans	-76.4	100.6	176.3	-150.2	-72.5	0	0	0	108.7
332	V	48	Very low	45.6	Very low	63 Å²	63	107.8 Å²	107.8	38%	0.382	55%	0.554	S	S	.	*			trans	-97.3	117.5	178.4	-171.4	0	0	0	0	108.5	L316 L330 F334	L316-V332 HydrophobicContact CB-CG2 3.73Å; L316-V332 HydrophobicContact CD2-CG2 3.62Å; L316-V332 HydrophobicContact CG-CG2 4.33Å; L330-V332 PolarHBondContact O-N 3.2Å; L330-V332 VanDerWaalsContact O-N 3.13Å; V332-F334 HydrophobicContact CB-CE2 4.41Å; V332-F334 HydrophobicContact CB-CZ 4.41Å; V332-F334 HydrophobicContact CG1-CD1 4.18Å; V332-F334 HydrophobicContact CG1-CD2 4.4Å; V332-F334 HydrophobicContact CG1-CE1 3.88Å; V332-F334 HydrophobicContact CG1-CE2 4.11Å; V332-F334 HydrophobicContact CG1-CG 4.43Å; V332-F334 HydrophobicContact CG1-CZ 3.84Å
333	K	38.6	Very low	43.8	Very low	187 Å²	187	111.9 Å²	111.9	81%	0.813	57%	0.57	S	S	*	*			trans	-94.7	111.4	163.9	-75.2	-172.5	177.5	-175.9	0	107.5	G335	K333-G335 PolarHBondContact O-N 3.2Å
334	F	38.6	Very low	42.1	Very low	140 Å²	140	111.6 Å²	111.6	61%	0.614	57%	0.565	S	S	*	*			trans	-73.5	115.1	172.9	-64.4	-78.1	0	0	0	108.6	V332 Q336	V332-F334 HydrophobicContact CB-CE2 4.41Å; V332-F334 HydrophobicContact CB-CZ 4.41Å; V332-F334 HydrophobicContact CG1-CD1 4.18Å; V332-F334 HydrophobicContact CG1-CD2 4.4Å; V332-F334 HydrophobicContact CG1-CE1 3.88Å; V332-F334 HydrophobicContact CG1-CE2 4.11Å; V332-F334 HydrophobicContact CG1-CG 4.43Å; V332-F334 HydrophobicContact CG1-CZ 3.84Å; F334-Q336 PolarHBondContact O-N 3.37Å
335	G	30.2	Very low	40.3	Very low	86 Å²	86	112.5 Å²	112.5	89%	0.887	58%	0.58	S	S	*	*	S	Bend	trans	-73.2	-15.8	179.8	0	0	0	0	0	113.9	K333	K333-G335 PolarHBondContact O-N 3.2Å
336	Q	27.5	Very low	38.5	Very low	166 Å²	166	117.5 Å²	117.5	78%	0.776	61%	0.607	S	S	*	*	S	Bend	trans	-137.5	136.7	167.2	-76.6	176.7	-13.6	0	0	106.9	F334 V338	F334-Q336 PolarHBondContact O-N 3.37Å; Q336-V338 PolarHBondContact O-N 3.19Å
337	E	24.9	Very low	36.8	Very low	169 Å²	169	122.2 Å²	122.2	79%	0.79	63%	0.63	S	S	*	*			trans	-66.2	105.8	175.3	-155.7	177.5	-163.5	0	0	108.3	T339	E337-T339 VanDerWaalsContact C-N 3.33Å; E337-T339 HydrophobicContact CG-CG2 4.12Å; E337-T339 PolarHBondContact O-N 2.86Å
338	V	27.9	Very low	34.9	Very low	89 Å²	89	129 Å²	129	54%	0.539	66%	0.663	S	S	.	*			trans	-86.9	83.4	170.9	-168.3	0	0	0	0	106.6	Q336 F340	Q336-V338 PolarHBondContact O-N 3.19Å; V338-F340 HydrophobicContact CB-CD2 4.33Å; V338-F340 HydrophobicContact CB-CE2 3.99Å; V338-F340 HydrophobicContact CG1-CD2 3.73Å; V338-F340 HydrophobicContact CG1-CE2 3.21Å; V338-F340 HydrophobicContact CG1-CZ 3.69Å; V338-F340 WeakPolarHBondContact O-CD2 3.48Å; V338-F340 PolarHBondContact O-N 3.25Å
339	T	25.6	Very low	33.2	Very low	105 Å²	105	130.9 Å²	130.9	64%	0.644	68%	0.676	S	S	*	*			trans	-68.5	100.3	173.9	36.7	0	0	0	0	109.8	E337 G341	E337-T339 VanDerWaalsContact C-N 3.33Å; E337-T339 HydrophobicContact CG-CG2 4.12Å; E337-T339 PolarHBondContact O-N 2.86Å; T339-G341 PolarHBondContact O-N 3.33Å
340	F	25.4	Very low	31.7	Very low	173 Å²	173	136.1 Å²	136.1	76%	0.759	70%	0.698	S	S	*	*			trans	-84.4	96.6	165.7	-74	-83.7	0	0	0	108.9	V338	V338-F340 HydrophobicContact CB-CD2 4.33Å; V338-F340 HydrophobicContact CB-CE2 3.99Å; V338-F340 HydrophobicContact CG1-CD2 3.73Å; V338-F340 HydrophobicContact CG1-CE2 3.21Å; V338-F340 HydrophobicContact CG1-CZ 3.69Å; V338-F340 WeakPolarHBondContact O-CD2 3.48Å; V338-F340 PolarHBondContact O-N 3.25Å
341	G	25.1	Very low	30.4	Very low	51 Å²	51	141.9 Å²	141.9	53%	0.526	73%	0.728	S	S	.	*	S	Bend	trans	160.6	161.4	-176.8	0	0	0	0	0	111.3	T339 H343	T339-G341 PolarHBondContact O-N 3.33Å; G341-H343 PolarHBondContact O-N 3.04Å; G341-H343 VanDerWaalsContact O-N 3.11Å
342	Q	25.6	Very low	29.5	Very low	166 Å²	166	138.7 Å²	138.7	78%	0.776	73%	0.725	S	S	*	*			trans	-43	116	-171.8	-79.4	172.6	-30.3	0	0	113.1	H344	Q342-H344 PolarHBondContact O-N 3.08Å
343	H	26.2	Very low	28.6	Very low	181 Å²	181	140.7 Å²	140.7	84%	0.838	74%	0.742	S	S	*	*			trans	-54.5	108.9	151.6	-104.1	-74.2	0	0	0	106.4	G341 P345	G341-H343 PolarHBondContact O-N 3.04Å; G341-H343 VanDerWaalsContact O-N 3.11Å; H343-P345 VanDerWaalsContact O-CD 3.25Å; H343-P345 WeakPolarHBondContact O-CD 3.11Å
344	H	28.7	Very low	28.1	Very low	137 Å²	137	137.4 Å²	137.4	63%	0.634	74%	0.743	S	S	*	*			trans	-70	112.9	155.3	-78.8	2.4	0	0	0	106.2	Q342 N346	Q342-H344 PolarHBondContact O-N 3.08Å; H344-N346 PolarHBondContact O-N 2.97Å
345	P	29.3	Very low	27.7	Very low	121 Å²	121	136.2 Å²	136.2	79%	0.786	75%	0.752	S	S	*	*			trans	-79.3	79.6	170.8	33	-26.1	0	0	0	106.6	H343 L347	H343-P345 VanDerWaalsContact O-CD 3.25Å; H343-P345 WeakPolarHBondContact O-CD 3.11Å; P345-L347 PolarHBondContact O-N 3.11Å
346	N	29.7	Very low	27.7	Very low	141 Å²	141	142.1 Å²	142.1	75%	0.754	75%	0.753	S	S	*	*			trans	-76.4	105.4	158.8	-88.4	-11.6	0	0	0	106.9	H344	H344-N346 PolarHBondContact O-N 2.97Å
347	L	30.1	Very low	27.8	Very low	135 Å²	135	143.5 Å²	143.5	71%	0.707	76%	0.759	S	S	*	*	S	Bend		138.8	100.5	127.1	-76.9	139.9	0	0	0	111.8	P345	P345-L347 PolarHBondContact O-N 3.11Å
348	Q	26.9	Very low	28	Very low	163 Å²	163	140.4 Å²	140.4	76%	0.762	76%	0.756	S	S	*	*			trans	66.2	104.1	135.3	-61	176.1	7.1	0	0	115.9
349	I	26.5	Very low	27.9	Very low	150 Å²	150	142.2 Å²	142.2	77%	0.769	77%	0.773	S	S	*	*				170.7	102.4	122.1	-78.7	147.4	0	0	0	104.8
350	Y	28.1	Very low	28.2	Very low	217 Å²	217	141.2 Å²	141.2	85%	0.851	77%	0.77	S	S	*	*			trans	165.9	91.2	142.5	-95.5	-73	0	0	0	107	S352	Y350-S352 PolarHBondContact O-N 2.81Å
351	N	25.5	Very low	28.4	Very low	172 Å²	172	143.2 Å²	143.2	92%	0.92	78%	0.779	S	S	*	*			trans	-67.3	110	167.2	-79.8	-22	0	0	0	108.9
352	S	30.9	Very low	28.7	Very low	100 Å²	100	146.6 Å²	146.6	70%	0.699	78%	0.783	S	S	*	*			trans	-152.9	87.9	148.9	47.3	0	0	0	0	109.6	Y350	Y350-S352 PolarHBondContact O-N 2.81Å
353	S	29.3	Very low	28.8	Very low	105 Å²	105	146.9 Å²	146.9	73%	0.734	79%	0.79	S	S	*	*			trans	34	118.8	139.5	57.2	0	0	0	0	120.6
354	S	28	Very low	29.1	Very low	119 Å²	119	143.3 Å²	143.3	83%	0.832	78%	0.781	S	S	*	*			trans	73.6	131.2	152.2	88.1	0	0	0	0	115.4
355	S	31.5	Very low	29.5	Very low	115 Å²	115	141.1 Å²	141.1	80%	0.804	78%	0.779	S	S	*	*			cis	-155.6	158.4	26.3	46.5	0	0	0	0	109.5
356	K	29.6	Very low	30.5	Very low	210 Å²	210	141.7 Å²	141.7	91%	0.913	77%	0.766	S	S	*	*			trans	-58.3	130.3	-175	-61.8	164.4	176.2	175.4	0	111.4
357	E	29.1	Very low	31.5	Very low	194 Å²	194	143.7 Å²	143.7	91%	0.907	77%	0.77	S	S	*	*			trans	-150.2	133.9	148.1	-119.2	172.9	-156.7	0	0	112.2
358	S	28.7	Very low	33.4	Very low	104 Å²	104	142.2 Å²	142.2	73%	0.727	76%	0.758	S	S	*	*			trans	-73.1	142.4	-166.5	44.7	0	0	0	0	113.5	S360	S358-S360 PolarHBondContact O-N 3.13Å; S358-S360 VanDerWaalsContact O-N 3.07Å
359	S	26.9	Very low	36.2	Very low	128 Å²	128	136 Å²	136	90%	0.895	73%	0.729	S	S	*	*			trans	-61.7	103.4	167.9	59.1	0	0	0	0	111.6
360	S	31.2	Very low	39.2	Very low	83 Å²	83	133.1 Å²	133.1	58%	0.58	71%	0.711	S	S	*	*			trans	-118.2	108.8	159.9	59.1	0	0	0	0	109.3	S358 I362	S358-S360 PolarHBondContact O-N 3.13Å; S358-S360 VanDerWaalsContact O-N 3.07Å; S360-I362 PolarHBondContact O-N 3.19Å; S360-I362 VanDerWaalsContact O-N 3.12Å
361	K	28.8	Very low	42.2	Very low	216 Å²	216	122.8 Å²	122.8	94%	0.939	67%	0.671	S	S	*	*			trans	-59.5	107.9	164.9	-73	175	176.7	174.8	0	108.2
362	I	31.9	Very low	45.4	Very low	121 Å²	121	115 Å²	115	62%	0.621	63%	0.629	S	S	*	*			trans	-126	110	167	-57.7	178.8	0	0	0	107.4	S360 T364	S360-I362 PolarHBondContact O-N 3.19Å; S360-I362 VanDerWaalsContact O-N 3.12Å; I362-T364 HydrophobicContact CG2-CG2 4.07Å; I362-T364 PolarHBondContact O-N 2.9Å
363	N	28.8	Very low	48.3	Very low	173 Å²	173	110.2 Å²	110.2	93%	0.925	60%	0.595	S	S	*	*			trans	-61.1	86	163.5	-88.5	-22.6	0	0	0	108.1
364	T	31.4	Very low	51.2	Low	105 Å²	105	105.2 Å²	105.2	64%	0.644	56%	0.56	S	S	*	*			trans	-79.1	133.5	166.1	36.3	0	0	0	0	108.5	I362 R366	I362-T364 HydrophobicContact CG2-CG2 4.07Å; I362-T364 PolarHBondContact O-N 2.9Å; T364-R366 PolarHBondContact O-N 3.41Å; T364-R366 VanDerWaalsContact O-N 3.07Å
365	P	37.4	Very low	54.4	Low	92 Å²	92	99.7 Å²	99.7	60%	0.597	52%	0.522	S	S	*	.			trans	-60.2	117	179.4	22.2	-29.7	0	0	0	109	H367	P365-H367 PolarHBondContact O-N 3.43Å
366	R	51	Low	57.5	Low	132 Å²	132	94.7 Å²	94.7	50%	0.498	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-62	4	-175.5	-67.1	-173.6	-172.3	164.9	7.6	114.9	T364 K368 Q426	T364-R366 PolarHBondContact O-N 3.41Å; T364-R366 VanDerWaalsContact O-N 3.07Å; R366-K368 PolarHBondContact O-N 3.27Å; R366-Q426 PolarHBondContact NH1-O 3.19Å
367	H	49.8	Very low	60.5	Low	183 Å²	183	85.6 Å²	85.6	85%	0.847	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-69.3	-6.1	176.9	-67.6	-66.9	0	0	0	114.3	P365	P365-H367 PolarHBondContact O-N 3.43Å
368	K	70.3	Confident	63.5	Low	105 Å²	105	79.7 Å²	79.7	46%	0.457	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-97.1	-5.5	-179.5	-73.3	-166.7	178.5	-170.5	0	114.7	R366 S530 I532	R366-K368 PolarHBondContact O-N 3.27Å; K368-S530 WeakPolarHBondContact O-CB 3.25Å; K368-S530 PolarHBondContact O-N 3.24Å; K368-I532 PolarHBondContact NZ-O 3.42Å
369	E	85.2	Confident	66.6	Low	31 Å²	31	76.8 Å²	76.8	15%	0.145	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	141.9	-179.3	-62	-175	128.1	0	0	111.3	Y427 V430 M528 K529	E369-Y427 HydrophobicContact CB-CE1 4.3Å; E369-Y427 VanDerWaalsContact CD-CE1 3.42Å; E369-Y427 HydrophobicContact CG-CE1 4.42Å; E369-Y427 PolarHBondContact OE1-OH 3.36Å; E369-Y427 WeakPolarHBondContact OE2-CE1 3.37Å; E369-V430 HydrophobicContact CB-CG1 4.34Å; E369-V430 HydrophobicContact CB-CG2 4.19Å; E369-V430 WeakPolarHBondContact O-CG1 3.44Å; E369-M528 WeakPolarHBondContact CA-O 3.41Å; E369-K529 HydrophobicContact CG-CG 4.21Å; E369-K529 WeakPolarHBondContact OE1-CE 3.3Å
370	K	89.8	Confident	69.9	Low	91 Å²	91	71.6 Å²	71.6	40%	0.396	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	145.1	172.9	-60.3	-172.5	-177.3	177.5	0	109.7	P431 I433 M528	K370-P431 HydrophobicContact CG-CG 4.3Å; K370-I433 HydrophobicContact CB-CD1 4.03Å; K370-I433 HydrophobicContact CB-CG1 4.19Å; K370-I433 HydrophobicContact CD-CD1 3.68Å; K370-I433 HydrophobicContact CD-CG1 4.38Å; K370-I433 HydrophobicContact CD-CG2 4.12Å; K370-M528 PolarHBondContact N-O 3.22Å; K370-M528 PolarHBondContact O-N 3.17Å
371	I	91.8	Very high	72.9	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	116.5	171.6	-64.4	156.3	0	0	0	107.5	F373 I423 V430 P431 I432 I433 W444 Y525 I527	I371-F373 HydrophobicContact CG2-CD1 3.85Å; I371-F373 HydrophobicContact CG2-CE1 3.81Å; I371-I423 HydrophobicContact CD1-CD1 3.76Å; I371-I423 HydrophobicContact CD1-CG2 4.07Å; I371-I423 HydrophobicContact CG1-CD1 4.21Å; I371-I423 HydrophobicContact CG2-CD1 3.99Å; I371-V430 HydrophobicContact CD1-CB 4.17Å; I371-V430 HydrophobicContact CD1-CG1 3.92Å; I371-V430 HydrophobicContact CG1-CG1 3.79Å; I371-P431 PolarHBondContact N-O 2.95Å; I371-I432 HydrophobicContact CB-CG1 4.33Å; I371-I432 HydrophobicContact CG2-CG1 4.45Å; I371-I432 CarbonylContact O-C 3.51Å; I371-I432 VanDerWaalsContact O-CA 3.25Å; I371-I432 WeakPolarHBondContact O-CA 3.33Å; I371-I433 PolarHBondContact O-N 2.98Å; I371-W444 HydrophobicContact CD1-CB 3.85Å; I371-W444 HydrophobicContact CD1-CD2 4.35Å; I371-W444 HydrophobicContact CD1-CE3 4.16Å; I371-W444 HydrophobicContact CD1-CG 4.23Å; I371-Y525 HydrophobicContact CG2-CD2 4.42Å; I371-I527 HydrophobicContact CG1-CG1 4.38Å
372	V	91.3	Very high	75.7	Confident	7 Å²	7	58.8 Å²	58.8	4%	0.042	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.1	174.9	-175.7	0	0	0	0	108.7	F408 I433 L435 Y525 K526 M528	V372-F408 HydrophobicContact CB-CZ 4.46Å; V372-F408 HydrophobicContact CG1-CE1 4.29Å; V372-F408 HydrophobicContact CG1-CZ 3.99Å; V372-I433 CarbonylContact C-O 3.52Å; V372-I433 WeakPolarHBondContact CA-O 3.36Å; V372-I433 HydrophobicContact CG2-CD1 3.92Å; V372-I433 HydrophobicContact CG2-CG1 3.95Å; V372-L435 HydrophobicContact CG1-CD2 3.82Å; V372-Y525 CarbonylContact O-C 3.4Å; V372-Y525 WeakPolarHBondContact O-CA 3.42Å; V372-Y525 WeakPolarHBondContact O-CB 3.43Å; V372-K526 PolarHBondContact N-O 3.41Å; V372-K526 PolarHBondContact O-N 3.03Å; V372-M528 HydrophobicContact CG2-CB 4.49Å; V372-M528 HydrophobicContact CG2-CG 3.71Å; V372-M528 HydrophobicContact CG2-SD 3.43Å; V372-M528 WeakPolarHBondContact CG2-SD 3.45Å
373	F	92.9	Very high	78.3	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.2	170.6	-90.6	17.9	0	0	0	110.6	I371 L411 I432 I433 W444 F447 L459 M523	I371-F373 HydrophobicContact CG2-CD1 3.85Å; I371-F373 HydrophobicContact CG2-CE1 3.81Å; F373-L411 HydrophobicContact CE1-CD2 4.33Å; F373-L411 HydrophobicContact CE2-CD2 4.49Å; F373-L411 HydrophobicContact CZ-CD2 3.77Å; F373-I432 HydrophobicContact CB-CG2 3.82Å; F373-I432 HydrophobicContact CD1-CG2 3.63Å; F373-I432 HydrophobicContact CD2-CG2 3.54Å; F373-I432 HydrophobicContact CE1-CD1 4.29Å; F373-I432 HydrophobicContact CE1-CG2 4.1Å; F373-I432 HydrophobicContact CE2-CD1 3.99Å; F373-I432 HydrophobicContact CE2-CG2 4.01Å; F373-I432 HydrophobicContact CG-CG2 3.35Å; F373-I432 HydrophobicContact CZ-CD1 3.87Å; F373-I432 HydrophobicContact CZ-CG2 4.29Å; F373-I433 PolarHBondContact N-O 2.04Å; F373-W444 AromaticContact CE1-CZ3 3.91Å; F373-W444 HydrophobicContact CE1-CZ3 3.91Å; F373-W444 HydrophobicContact CZ-CE3 4.42Å; F373-W444 AromaticContact CZ-CZ3 3.64Å; F373-W444 HydrophobicContact CZ-CZ3 3.64Å; F373-F447 HydrophobicContact CE2-CD1 4.44Å; F373-F447 AromaticContact CE2-CD2 3.97Å; F373-F447 HydrophobicContact CE2-CD2 3.97Å; F373-F447 HydrophobicContact CE2-CE1 4.43Å; F373-F447 AromaticContact CE2-CE2 3.97Å; F373-F447 HydrophobicContact CE2-CE2 3.97Å; F373-F447 HydrophobicContact CE2-CG 4.22Å; F373-F447 HydrophobicContact CE2-CZ 4.2Å; F373-F447 HydrophobicContact CZ-CD1 4.18Å; F373-F447 HydrophobicContact CZ-CE1 4.13Å; F373-F447 HydrophobicContact CZ-CE2 4.46Å; F373-F447 HydrophobicContact CZ-CG 4.37Å; F373-F447 HydrophobicContact CZ-CZ 4.28Å; F373-L459 HydrophobicContact CB-CD2 4.26Å; F373-M523 HydrophobicContact CB-SD 4.14Å; F373-M523 HydrophobicContact CD2-CG 4.36Å; F373-M523 HydrophobicContact CD2-SD 4.05Å; F373-M523 HydrophobicContact CE2-CG 4.39Å; F373-M523 HydrophobicContact CG-SD 4.11Å
374	A	90.6	Very high	81.3	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	150.9	169.8	0	0	0	0	0	109	F408 L435 Y460 L462 M523 C524	A374-F408 HydrophobicContact CB-CE1 4.07Å; A374-L435 HydrophobicContact CB-CD1 3.98Å; A374-L435 HydrophobicContact CB-CD2 4.15Å; A374-L435 HydrophobicContact CB-CG 3.93Å; A374-Y460 CarbonylContact C-O 3.57Å; A374-Y460 WeakPolarHBondContact CA-O 3.38Å; A374-L462 HydrophobicContact CB-CD2 3.65Å; A374-L462 HydrophobicContact CB-CG 4.34Å; A374-M523 VanDerWaalsContact O-SD 3.38Å; A374-C524 PolarHBondContact N-O 3.34Å; A374-C524 CarbonylContact O-C 3.49Å; A374-C524 VanDerWaalsContact O-CA 3.26Å; A374-C524 WeakPolarHBondContact O-CA 2.86Å; A374-C524 VanDerWaalsContact O-CB 3.27Å; A374-C524 WeakPolarHBondContact O-CB 3.25Å; A374-C524 PolarHBondContact O-N 3.32Å
375	F	94.6	Very high	84.1	Confident	4 Å²	4	43 Å²	43	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	152.3	-179	62.3	-88.9	0	0	0	113.2	L459 Y460 D461 L462 D467 K473 F475 Y521 L522 M523	F375-L459 HydrophobicContact CD1-CB 4.2Å; F375-L459 HydrophobicContact CE1-CB 4.2Å; F375-Y460 WeakPolarHBondContact CD1-O 3.4Å; F375-Y460 WeakPolarHBondContact CE1-O 3.12Å; F375-Y460 PolarHBondContact N-O 3.15Å; F375-D461 HydrophobicContact CD1-CB 4.49Å; F375-D461 HydrophobicContact CD2-CB 3.84Å; F375-D461 HydrophobicContact CE1-CB 4.14Å; F375-D461 HydrophobicContact CE2-CB 3.44Å; F375-D461 VanDerWaalsContact CE2-CB 3.44Å; F375-D461 HydrophobicContact CG-CB 4.34Å; F375-D461 HydrophobicContact CZ-CB 3.6Å; F375-D461 CarbonylContact O-C 3.52Å; F375-D461 WeakPolarHBondContact O-CA 3.15Å; F375-L462 PolarHBondContact O-N 3.2Å; F375-D467 HydrophobicContact CE1-CB 3.99Å; F375-D467 HydrophobicContact CZ-CB 4.1Å; F375-K473 HydrophobicContact CE1-CD 4.5Å; F375-K473 HydrophobicContact CE2-CD 3.95Å; F375-K473 HydrophobicContact CZ-CD 3.95Å; F375-F475 HydrophobicContact CB-CD1 4.16Å; F375-F475 HydrophobicContact CB-CE1 3.42Å; F375-F475 VanDerWaalsContact CB-CE1 3.42Å; F375-F475 HydrophobicContact CB-CZ 4.28Å; F375-F475 HydrophobicContact CD1-CE1 4.26Å; F375-F475 HydrophobicContact CD1-CZ 4.36Å; F375-F475 HydrophobicContact CD2-CE1 4.35Å; F375-F475 AromaticContact CG-CE1 3.79Å; F375-F475 HydrophobicContact CG-CE1 3.79Å; F375-F475 HydrophobicContact CG-CZ 4.32Å; F375-Y521 AromaticContact CD2-CD1 3.8Å; F375-Y521 HydrophobicContact CD2-CD1 3.8Å; F375-Y521 HydrophobicContact CD2-CE1 4.32Å; F375-Y521 HydrophobicContact CD2-CG 4.49Å; F375-Y521 HydrophobicContact CE2-CD1 4.16Å; F375-Y521 HydrophobicContact CE2-CE1 4.23Å; F375-L522 CarbonylContact C-O 3.44Å; F375-L522 WeakPolarHBondContact CA-O 3.34Å; F375-L522 WeakPolarHBondContact CB-O 3.26Å; F375-M523 HydrophobicContact CB-CE 4.13Å; F375-M523 HydrophobicContact CB-SD 4.42Å
376	H	95.6	Very high	86.6	Confident	9 Å²	9	43.4 Å²	43.4	4%	0.042	23%	0.227	C	C	.	.			trans	-66.3	129.1	173.6	-169.2	-85.9	0	0	0	109.7	V378 T398 Y521 L522	H376-V378 VanDerWaalsContact C-N 3.31Å; H376-V378 PolarHBondContact ND1-N 2.86Å; H376-V378 PolarHBondContact ND1-O 3.48Å; H376-V378 PolarHBondContact O-N 2.83Å; H376-T398 PolarHBondContact NE2-OG1 3.12Å; H376-T398 VanDerWaalsContact NE2-OG1 3.08Å; H376-Y521 VanDerWaalsContact O-CD1 3.32Å; H376-Y521 WeakPolarHBondContact O-CD1 3.21Å; H376-L522 HydrophobicContact CB-CB 3.95Å; H376-L522 PolarHBondContact N-O 3.25Å
377	P	92.8	Very high	88.5	Confident	19 Å²	19	37.5 Å²	37.5	12%	0.123	21%	0.207	C	C	.	.	S	Bend	trans	-69.8	-26.5	-169.7	23.7	-32.2	0	0	0	113.7	T398 D461 Y463	P377-T398 HydrophobicContact CG-CG2 4.09Å; P377-D461 HydrophobicContact CB-CB 4.08Å; P377-Y463 HydrophobicContact CB-CD1 4.4Å; P377-Y463 HydrophobicContact CB-CD2 3.52Å; P377-Y463 HydrophobicContact CB-CE1 4.32Å; P377-Y463 HydrophobicContact CB-CE2 3.45Å; P377-Y463 VanDerWaalsContact CB-CE2 3.45Å; P377-Y463 HydrophobicContact CB-CG 4.02Å; P377-Y463 HydrophobicContact CG-CD1 3.74Å; P377-Y463 HydrophobicContact CG-CD2 3.71Å; P377-Y463 HydrophobicContact CG-CE1 3.41Å; P377-Y463 VanDerWaalsContact CG-CE1 3.41Å; P377-Y463 HydrophobicContact CG-CE2 3.41Å; P377-Y463 VanDerWaalsContact CG-CE2 3.41Å; P377-Y463 HydrophobicContact CG-CG 3.88Å
378	V	93.4	Very high	90.5	Very high	71 Å²	71	30 Å²	30	43%	0.43	17%	0.171	S	C	.	.	S	Bend	trans	-95.9	122.8	177.4	-174.9	0	0	0	0	109.5	H376	H376-V378 VanDerWaalsContact C-N 3.31Å; H376-V378 PolarHBondContact ND1-N 2.86Å; H376-V378 PolarHBondContact ND1-O 3.48Å; H376-V378 PolarHBondContact O-N 2.83Å
379	P	93.9	Very high	91.5	Very high	42 Å²	42	31.4 Å²	31.4	27%	0.273	18%	0.179	S	C	.	.			trans	-77.2	152.5	173.8	35.7	-37	0	0	0	111.2	I519 N520 Y521	P379-I519 HydrophobicContact CB-CG2 3.51Å; P379-I519 HydrophobicContact CG-CG2 3.64Å; P379-N520 CarbonylContact C-O 3.56Å; P379-N520 WeakPolarHBondContact CA-O 3.36Å; P379-Y521 HydrophobicContact CB-CD1 4.1Å; P379-Y521 HydrophobicContact CB-CD2 4.02Å; P379-Y521 HydrophobicContact CB-CE1 3.98Å; P379-Y521 HydrophobicContact CB-CE2 3.86Å; P379-Y521 HydrophobicContact CB-CG 4.13Å; P379-Y521 HydrophobicContact CG-CE1 4.25Å; P379-Y521 HydrophobicContact CG-CE2 4.4Å
380	L	94.7	Very high	91.9	Very high	20 Å²	20	30.9 Å²	30.9	11%	0.105	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-140.8	149.6	-164.4	-66.9	170.2	0	0	0	110.5	S384 F385 K394 W476 N520 L522	L380-S384 WeakPolarHBondContact CB-OG 3.09Å; L380-F385 HydrophobicContact CB-CD1 4.13Å; L380-F385 HydrophobicContact CD1-CB 4.42Å; L380-F385 HydrophobicContact CD1-CD1 4.1Å; L380-K394 HydrophobicContact CD1-CD 3.69Å; L380-W476 PolarHBondContact O-NE1 3.02Å; L380-N520 PolarHBondContact N-O 3.33Å; L380-N520 PolarHBondContact O-N 2.81Å; L380-L522 HydrophobicContact CD1-CD1 3.7Å; L380-L522 HydrophobicContact CD1-CG 4.2Å
381	T	94.7	Very high	92.1	Very high	30 Å²	30	26.5 Å²	26.5	18%	0.184	16%	0.163	C	C	.	.			trans	-77.7	158.6	167.1	65	0	0	0	0	110.2	G383 S384 F385 C516 D517 S518 I519	T381-G383 PolarHBondContact O-N 3.09Å; T381-G383 VanDerWaalsContact O-N 3.11Å; T381-S384 PolarHBondContact N-OG 2.91Å; T381-S384 PolarHBondContact O-N 3.24Å; T381-S384 VanDerWaalsContact O-N 3.16Å; T381-S384 PolarHBondContact O-OG 3.39Å; T381-S384 VanDerWaalsContact OG1-CB 3.27Å; T381-S384 WeakPolarHBondContact OG1-CB 2.87Å; T381-S384 PolarHBondContact OG1-OG 3.28Å; T381-F385 WeakPolarHBondContact O-CE1 3.1Å; T381-C516 WeakPolarHBondContact CB-O 3.43Å; T381-D517 WeakPolarHBondContact CG2-O 3.45Å; T381-S518 WeakPolarHBondContact CA-O 3.48Å; T381-I519 HydrophobicContact CG2-CG1 4.08Å
382	G	87.9	Confident	92.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.6	-171.9	0	0	0	0	0	115	F385 W488 T490 C516	G382-F385 WeakPolarHBondContact O-CE1 3.48Å; G382-F385 WeakPolarHBondContact O-CZ 3.15Å; G382-W488 CarbonylContact O-C 3.34Å; G382-W488 WeakPolarHBondContact O-CA 3.49Å; G382-W488 WeakPolarHBondContact O-CB 3.41Å; G382-T490 CarbonylContact C-O 3.5Å; G382-C516 PolarHBondContact N-O 2.94Å
383	G	87.2	Confident	92.4	Very high	11 Å²	11	33.6 Å²	33.6	11%	0.113	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-14.8	178.3	0	0	0	0	0	115.3	T381 F385 S386 T490	T381-G383 PolarHBondContact O-N 3.09Å; T381-G383 VanDerWaalsContact O-N 3.11Å; G383-F385 PolarHBondContact O-N 3.14Å; G383-S386 PolarHBondContact O-N 3.24Å; G383-S386 VanDerWaalsContact O-N 3.14Å; G383-T490 VanDerWaalsContact CA-C 3.44Å; G383-T490 VanDerWaalsContact CA-O 3.3Å; G383-T490 WeakPolarHBondContact CA-O 2.93Å; G383-T490 PolarHBondContact N-O 2.93Å
384	S	91.4	Very high	92.5	Very high	54 Å²	54	36.9 Å²	36.9	38%	0.378	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-10.8	-169.8	60.1	0	0	0	0	115.3	L380 T381	L380-S384 WeakPolarHBondContact CB-OG 3.09Å; T381-S384 PolarHBondContact N-OG 2.91Å; T381-S384 PolarHBondContact O-N 3.24Å; T381-S384 VanDerWaalsContact O-N 3.16Å; T381-S384 PolarHBondContact O-OG 3.39Å; T381-S384 VanDerWaalsContact OG1-CB 3.27Å; T381-S384 WeakPolarHBondContact OG1-CB 2.87Å; T381-S384 PolarHBondContact OG1-OG 3.28Å
385	F	90.9	Very high	92.8	Very high	3 Å²	3	36.9 Å²	36.9	1%	0.013	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	15.4	179.8	52.2	-100.4	0	0	0	113.4	L380 T381 G382 G383 G387 G390 A391 K394 L412 W488 L522	L380-F385 HydrophobicContact CB-CD1 4.13Å; L380-F385 HydrophobicContact CD1-CB 4.42Å; L380-F385 HydrophobicContact CD1-CD1 4.1Å; T381-F385 WeakPolarHBondContact O-CE1 3.1Å; G382-F385 WeakPolarHBondContact O-CE1 3.48Å; G382-F385 WeakPolarHBondContact O-CZ 3.15Å; G383-F385 PolarHBondContact O-N 3.14Å; F385-G387 WeakPolarHBondContact CD2-O 3.44Å; F385-G387 PolarHBondContact O-N 3.12Å; F385-G390 CarbonylContact O-C 3.57Å; F385-G390 WeakPolarHBondContact O-CA 3.2Å; F385-A391 HydrophobicContact CB-CB 4.33Å; F385-A391 HydrophobicContact CD2-CB 3.25Å; F385-A391 HydrophobicContact CE2-CB 3.55Å; F385-A391 HydrophobicContact CG-CB 3.86Å; F385-A391 HydrophobicContact CZ-CB 4.42Å; F385-A391 PolarHBondContact O-N 3.31Å; F385-K394 HydrophobicContact CB-CD 3.99Å; F385-L412 HydrophobicContact CE2-CD2 3.49Å; F385-L412 VanDerWaalsContact CE2-CD2 3.49Å; F385-L412 HydrophobicContact CZ-CD2 3.76Å; F385-W488 HydrophobicContact CD2-CB 4.32Å; F385-W488 HydrophobicContact CE2-CB 3.36Å; F385-W488 HydrophobicContact CE2-CD2 4.3Å; F385-W488 HydrophobicContact CE2-CE3 4.49Å; F385-W488 AromaticContact CE2-CG 3.87Å; F385-W488 HydrophobicContact CE2-CG 3.87Å; F385-W488 HydrophobicContact CZ-CB 3.79Å; F385-W488 HydrophobicContact CZ-CD2 4.02Å; F385-W488 AromaticContact CZ-CE3 3.8Å; F385-W488 HydrophobicContact CZ-CE3 3.8Å; F385-W488 HydrophobicContact CZ-CG 4.08Å; F385-L522 HydrophobicContact CD1-CD1 4.42Å; F385-L522 HydrophobicContact CD1-CD2 4.47Å; F385-L522 HydrophobicContact CE1-CD2 4.03Å; F385-L522 HydrophobicContact CZ-CD2 4.21Å
386	S	89.2	Confident	92.7	Very high	100 Å²	100	39.6 Å²	39.6	70%	0.699	22%	0.221	S	C	*	.			trans	55.9	49.2	167.9	-48.5	0	0	0	0	113.7	G383	G383-S386 PolarHBondContact O-N 3.24Å; G383-S386 VanDerWaalsContact O-N 3.14Å
387	G	91	Very high	92.7	Very high	8 Å²	8	43.7 Å²	43.7	8%	0.082	24%	0.241	C	C	.	.	H	α-helix	trans	84.5	177.9	178.3	0	0	0	0	0	114.4	F385 H389 G390 A391 E487 W488	F385-G387 WeakPolarHBondContact CD2-O 3.44Å; F385-G387 PolarHBondContact O-N 3.12Å; G387-H389 VanDerWaalsContact C-N 3.26Å; G387-H389 PolarHBondContact O-N 2.76Å; G387-G390 PolarHBondContact O-N 2.86Å; G387-A391 PolarHBondContact O-N 2.69Å; G387-E487 WeakPolarHBondContact CA-O 3.39Å; G387-W488 WeakPolarHBondContact CA-O 3.41Å; G387-W488 PolarHBondContact N-O 3.07Å
388	W	91.2	Very high	92.7	Very high	26 Å²	26	43.7 Å²	43.7	10%	0.098	24%	0.24	C	C	.	.	H	α-helix	trans	-52.8	-41.6	-178.3	-172.1	96.4	0	0	0	113.5	G390 A391 N392 V410 L412 F417 H422	W388-G390 PolarHBondContact O-N 3.43Å; W388-A391 PolarHBondContact O-N 3.39Å; W388-N392 HydrophobicContact CE3-CB 4Å; W388-N392 HydrophobicContact CH2-CB 3.88Å; W388-N392 HydrophobicContact CZ2-CB 4.43Å; W388-N392 HydrophobicContact CZ3-CB 3.65Å; W388-N392 WeakPolarHBondContact O-CB 3.28Å; W388-N392 PolarHBondContact O-N 2.81Å; W388-V410 HydrophobicContact CD2-CG1 4.38Å; W388-V410 HydrophobicContact CZ2-CG1 4.08Å; W388-L412 PolarHBondContact NE1-O 2.78Å; W388-F417 HydrophobicContact CB-CD2 4.25Å; W388-F417 AromaticContact CD1-CD2 3.86Å; W388-F417 HydrophobicContact CD2-CD1 4.46Å; W388-F417 AromaticContact CD2-CD2 3.57Å; W388-F417 HydrophobicContact CD2-CD2 3.57Å; W388-F417 AromaticContact CD2-CE2 3.74Å; W388-F417 HydrophobicContact CD2-CE2 3.74Å; W388-F417 AromaticContact CD2-CG 3.96Å; W388-F417 HydrophobicContact CD2-CG 3.96Å; W388-F417 HydrophobicContact CD2-CZ 4.27Å; W388-F417 AromaticContact CE2-CD2 3.83Å; W388-F417 AromaticContact CE2-CG 3.7Å; W388-F417 HydrophobicContact CE3-CD2 4.03Å; W388-F417 HydrophobicContact CE3-CE1 4.43Å; W388-F417 AromaticContact CE3-CE2 3.69Å; W388-F417 HydrophobicContact CE3-CE2 3.69Å; W388-F417 AromaticContact CE3-CZ 3.91Å; W388-F417 HydrophobicContact CE3-CZ 3.91Å; W388-F417 AromaticContact CG-CD2 3.64Å; W388-F417 HydrophobicContact CG-CD2 3.64Å; W388-F417 HydrophobicContact CG-CE2 4.1Å; W388-F417 HydrophobicContact CG-CG 4.23Å; W388-F417 HydrophobicContact CH2-CD1 4.32Å; W388-F417 HydrophobicContact CH2-CE1 4.15Å; W388-F417 HydrophobicContact CH2-CZ 4.39Å; W388-F417 AromaticContact CZ2-CD1 3.99Å; W388-F417 HydrophobicContact CZ2-CD1 3.99Å; W388-F417 HydrophobicContact CZ2-CE1 4.28Å; W388-F417 HydrophobicContact CZ2-CG 4.13Å; W388-F417 HydrophobicContact CZ3-CE1 4.21Å; W388-F417 HydrophobicContact CZ3-CE2 4.24Å; W388-F417 AromaticContact CZ3-CZ 3.98Å; W388-F417 HydrophobicContact CZ3-CZ 3.98Å; W388-F417 AromaticContact NE1-CD2 3.93Å; W388-F417 AromaticContact NE1-CG 3.73Å; W388-H422 AromaticContact CE2-CE1 3.8Å; W388-H422 AromaticContact CZ2-CE1 3.75Å; W388-H422 AromaticContact NE1-CE1 3.25Å; W388-H422 PolarHBondContact NE1-CE1 3.06Å; W388-H422 VanDerWaalsContact NE1-CE1 3.25Å; W388-H422 AromaticContact NE1-NE2 3.63Å
389	H	91.6	Very high	92.3	Very high	134 Å²	134	40.3 Å²	40.3	62%	0.62	22%	0.22	S	C	*	.	H	α-helix	trans	-64.2	-41.2	-177.9	-73.7	-61.5	0	0	0	113.1	G387 N392 K393	G387-H389 VanDerWaalsContact C-N 3.26Å; G387-H389 PolarHBondContact O-N 2.76Å; H389-N392 PolarHBondContact O-N 3.36Å; H389-K393 WeakPolarHBondContact O-CB 3.22Å; H389-K393 PolarHBondContact O-N 2.86Å
390	G	94.1	Very high	91.9	Very high	19 Å²	19	42.4 Å²	42.4	20%	0.196	23%	0.228	C	C	.	.	H	α-helix	trans	-72.8	-34.3	177.8	0	0	0	0	0	112.3	F385 G387 W388 K393 K394	F385-G390 CarbonylContact O-C 3.57Å; F385-G390 WeakPolarHBondContact O-CA 3.2Å; G387-G390 PolarHBondContact O-N 2.86Å; W388-G390 PolarHBondContact O-N 3.43Å; G390-K393 PolarHBondContact O-N 2.95Å; G390-K394 WeakPolarHBondContact O-CG 3.48Å; G390-K394 PolarHBondContact O-N 3.44Å
391	A	94.3	Very high	91.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-45.3	168.6	0	0	0	0	0	112.1	F385 G387 W388 K394 C395 V410 L412 L522	F385-A391 HydrophobicContact CB-CB 4.33Å; F385-A391 HydrophobicContact CD2-CB 3.25Å; F385-A391 HydrophobicContact CE2-CB 3.55Å; F385-A391 HydrophobicContact CG-CB 3.86Å; F385-A391 HydrophobicContact CZ-CB 4.42Å; F385-A391 PolarHBondContact O-N 3.31Å; G387-A391 PolarHBondContact O-N 2.69Å; W388-A391 PolarHBondContact O-N 3.39Å; A391-K394 PolarHBondContact O-N 3.46Å; A391-C395 PolarHBondContact O-N 2.91Å; A391-C395 VanDerWaalsContact O-N 3.15Å; A391-V410 HydrophobicContact CB-CB 4.41Å; A391-V410 HydrophobicContact CB-CG1 4.21Å; A391-V410 HydrophobicContact CB-CG2 4.11Å; A391-L412 HydrophobicContact CB-CD2 3.86Å; A391-L522 HydrophobicContact CB-CD1 3.95Å
392	N	94.1	Very high	91.2	Very high	35 Å²	35	51.5 Å²	51.5	19%	0.187	27%	0.268	C	S	.	.	H	α-helix	trans	-63.9	-42.2	177.2	-171	75.2	0	0	0	111.9	W388 H389 C395 H396 K409 V410	W388-N392 HydrophobicContact CE3-CB 4Å; W388-N392 HydrophobicContact CH2-CB 3.88Å; W388-N392 HydrophobicContact CZ2-CB 4.43Å; W388-N392 HydrophobicContact CZ3-CB 3.65Å; W388-N392 WeakPolarHBondContact O-CB 3.28Å; W388-N392 PolarHBondContact O-N 2.81Å; H389-N392 PolarHBondContact O-N 3.36Å; N392-C395 PolarHBondContact O-N 3.32Å; N392-H396 WeakPolarHBondContact O-CB 3.42Å; N392-H396 PolarHBondContact O-N 3.07Å; N392-K409 VanDerWaalsContact OD1-CA 3.28Å; N392-K409 WeakPolarHBondContact OD1-CA 3.32Å; N392-V410 HydrophobicContact CB-CB 4.43Å; N392-V410 HydrophobicContact CB-CG1 3.79Å; N392-V410 PolarHBondContact OD1-N 3.39Å; N392-V410 VanDerWaalsContact OD1-N 3.12Å
393	K	94.9	Very high	90.9	Very high	120 Å²	120	53.9 Å²	53.9	52%	0.522	28%	0.28	S	S	.	.	H	α-helix	trans	-59.2	-45.3	175.4	-176.8	178.2	175.8	-178.6	0	111.3	H389 G390 C395 H396 E397	H389-K393 WeakPolarHBondContact O-CB 3.22Å; H389-K393 PolarHBondContact O-N 2.86Å; G390-K393 PolarHBondContact O-N 2.95Å; K393-C395 PolarHBondContact O-N 3.49Å; K393-H396 PolarHBondContact O-N 2.97Å; K393-E397 WeakPolarHBondContact CE-OE1 3.12Å; K393-E397 WeakPolarHBondContact CE-OE2 3.28Å; K393-E397 HydrophobicContact CG-CG 4.12Å; K393-E397 IonicContact NZ-OE1 2.6Å; K393-E397 WeakPolarHBondContact O-CB 3.37Å; K393-E397 WeakPolarHBondContact O-CG 3.23Å; K393-E397 PolarHBondContact O-N 2.86Å
394	K	95.3	Very high	90.6	Very high	70 Å²	70	56 Å²	56	30%	0.304	30%	0.302	S	S	.	.	H	α-helix	trans	-58.1	-47	175.1	-75.7	179	178.7	-73.1	0	112.7	L380 F385 G390 A391 H396 T398	L380-K394 HydrophobicContact CD1-CD 3.69Å; F385-K394 HydrophobicContact CB-CD 3.99Å; G390-K394 WeakPolarHBondContact O-CG 3.48Å; G390-K394 PolarHBondContact O-N 3.44Å; A391-K394 PolarHBondContact O-N 3.46Å; K394-H396 VanDerWaalsContact C-N 3.34Å; K394-H396 PolarHBondContact O-N 3.06Å; K394-T398 VanDerWaalsContact O-CB 3.27Å; K394-T398 WeakPolarHBondContact O-CB 3.41Å; K394-T398 PolarHBondContact O-N 2.93Å; K394-T398 VanDerWaalsContact O-N 3.09Å; K394-T398 PolarHBondContact O-OG1 2.9Å
395	C	95.8	Very high	89.9	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.2	-44.1	175.3	-77.3	0	0	0	0	112.1	A391 N392 K393 A399 L462 C524	A391-C395 PolarHBondContact O-N 2.91Å; A391-C395 VanDerWaalsContact O-N 3.15Å; N392-C395 PolarHBondContact O-N 3.32Å; K393-C395 PolarHBondContact O-N 3.49Å; C395-A399 VanDerWaalsContact O-CB 3.26Å; C395-A399 WeakPolarHBondContact O-CB 3.26Å; C395-A399 PolarHBondContact O-N 2.83Å; C395-L462 WeakPolarHBondContact O-CD1 3.31Å; C395-C524 HydrophobicContact CB-CB 3.74Å; C395-C524 WeakPolarHBondContact CB-SG 3.26Å; C395-C524 WeakPolarHBondContact SG-CB 3.31Å; C395-C524 CovalentContact SG-SG 2.04Å; C395-C524 PolarHBondContact SG-SG 3.3Å
396	H	93.7	Very high	89.5	Confident	60 Å²	60	58.8 Å²	58.8	28%	0.278	32%	0.315	S	S	.	.	H	α-helix	trans	-65.6	-51.9	-178.7	178.8	87.2	0	0	0	112.3	N392 K393 K394 A399 L400 D407	N392-H396 WeakPolarHBondContact O-CB 3.42Å; N392-H396 PolarHBondContact O-N 3.07Å; K393-H396 PolarHBondContact O-N 2.97Å; K394-H396 VanDerWaalsContact C-N 3.34Å; K394-H396 PolarHBondContact O-N 3.06Å; H396-A399 PolarHBondContact O-N 2.71Å; H396-L400 VanDerWaalsContact O-CB 3.28Å; H396-L400 WeakPolarHBondContact O-CB 3.17Å; H396-L400 PolarHBondContact O-N 3.48Å; H396-D407 PolarHBondContact ND1-N 2.97Å
397	E	94.7	Very high	89.4	Confident	95 Å²	95	58.5 Å²	58.5	44%	0.444	31%	0.306	S	S	.	.	H	α-helix	trans	-66.2	-44.1	-176.8	-71.1	-179.8	154.8	0	0	111.8	K393 A399 L400 H401	K393-E397 WeakPolarHBondContact CE-OE1 3.12Å; K393-E397 WeakPolarHBondContact CE-OE2 3.28Å; K393-E397 HydrophobicContact CG-CG 4.12Å; K393-E397 IonicContact NZ-OE1 2.6Å; K393-E397 WeakPolarHBondContact O-CB 3.37Å; K393-E397 WeakPolarHBondContact O-CG 3.23Å; K393-E397 PolarHBondContact O-N 2.86Å; E397-A399 PolarHBondContact O-N 3.48Å; E397-L400 PolarHBondContact O-N 2.76Å; E397-H401 VanDerWaalsContact O-CB 3.25Å; E397-H401 WeakPolarHBondContact O-CB 3.48Å; E397-H401 PolarHBondContact O-N 3.12Å
398	T	92.2	Very high	89.3	Confident	20 Å²	20	58.2 Å²	58.2	12%	0.123	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-43.3	178.8	-58.3	0	0	0	0	111.2	H376 P377 K394 H402 L462 Y463	H376-T398 PolarHBondContact NE2-OG1 3.12Å; H376-T398 VanDerWaalsContact NE2-OG1 3.08Å; P377-T398 HydrophobicContact CG-CG2 4.09Å; K394-T398 VanDerWaalsContact O-CB 3.27Å; K394-T398 WeakPolarHBondContact O-CB 3.41Å; K394-T398 PolarHBondContact O-N 2.93Å; K394-T398 VanDerWaalsContact O-N 3.09Å; K394-T398 PolarHBondContact O-OG1 2.9Å; T398-H402 WeakPolarHBondContact O-CB 3.27Å; T398-H402 PolarHBondContact O-CD2 3.05Å; T398-H402 PolarHBondContact O-N 3.43Å; T398-L462 HydrophobicContact CG2-CB 3.71Å; T398-L462 HydrophobicContact CG2-CD1 4.1Å; T398-Y463 HydrophobicContact CG2-CD1 4.24Å; T398-Y463 HydrophobicContact CG2-CE1 3.82Å
399	A	85.3	Confident	89.5	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-66.1	-41.7	177.1	0	0	0	0	0	112.5	C395 H396 E397 L403 G404 I405 F408 L462	C395-A399 VanDerWaalsContact O-CB 3.26Å; C395-A399 WeakPolarHBondContact O-CB 3.26Å; C395-A399 PolarHBondContact O-N 2.83Å; H396-A399 PolarHBondContact O-N 2.71Å; E397-A399 PolarHBondContact O-N 3.48Å; A399-L403 WeakPolarHBondContact O-CA 3.35Å; A399-L403 VanDerWaalsContact O-CB 3.31Å; A399-L403 WeakPolarHBondContact O-CB 3.29Å; A399-L403 PolarHBondContact O-N 3.22Å; A399-G404 PolarHBondContact O-N 2.75Å; A399-I405 CarbonylContact C-O 3.56Å; A399-I405 PolarHBondContact O-N 2.88Å; A399-F408 HydrophobicContact CB-CB 3.68Å; A399-F408 HydrophobicContact CB-CD2 3.42Å; A399-F408 VanDerWaalsContact CB-CD2 3.42Å; A399-F408 HydrophobicContact CB-CE2 4.22Å; A399-F408 HydrophobicContact CB-CG 3.69Å; A399-L462 HydrophobicContact CB-CD1 4.25Å; A399-L462 HydrophobicContact CB-CD2 3.86Å
400	L	86.5	Confident	89.7	Confident	85 Å²	85	55.6 Å²	55.6	45%	0.445	29%	0.29	S	S	.	.	H	α-helix	trans	-63.7	-45.8	178	-179.2	62.6	0	0	0	111.1	H396 E397 G404 I405 P406	H396-L400 VanDerWaalsContact O-CB 3.28Å; H396-L400 WeakPolarHBondContact O-CB 3.17Å; H396-L400 PolarHBondContact O-N 3.48Å; E397-L400 PolarHBondContact O-N 2.76Å; L400-G404 VanDerWaalsContact O-CA 3.22Å; L400-G404 WeakPolarHBondContact O-CA 3.28Å; L400-G404 PolarHBondContact O-N 2.8Å; L400-G404 VanDerWaalsContact O-N 3.14Å; L400-I405 PolarHBondContact N-O 3.29Å; L400-P406 HydrophobicContact CD1-CB 4.31Å
401	H	89	Confident	89.6	Confident	152 Å²	152	54.7 Å²	54.7	70%	0.704	28%	0.28	S	S	*	.	H	α-helix	trans	-71.1	-41.5	-176.7	-174.8	-99.9	0	0	0	112.9	E397	E397-H401 VanDerWaalsContact O-CB 3.25Å; E397-H401 WeakPolarHBondContact O-CB 3.48Å; E397-H401 PolarHBondContact O-N 3.12Å
402	H	85.8	Confident	89.4	Confident	89 Å²	89	54.7 Å²	54.7	41%	0.412	28%	0.28	S	S	.	.	H	α-helix	trans	-97.4	-29.4	-172.2	-70.4	-85.2	0	0	0	114.6	T398 L462 Y463	T398-H402 WeakPolarHBondContact O-CB 3.27Å; T398-H402 PolarHBondContact O-CD2 3.05Å; T398-H402 PolarHBondContact O-N 3.43Å; H402-L462 WeakPolarHBondContact CB-O 3.33Å; H402-Y463 HydrophobicContact CB-CD1 3.96Å; H402-Y463 AromaticContact CD2-CD1 3.66Å; H402-Y463 AromaticContact CD2-CE1 3.39Å; H402-Y463 WeakPolarHBondContact CD2-CE1 3.32Å; H402-Y463 AromaticContact CE1-CD1 3.79Å; H402-Y463 AromaticContact CE1-CE1 3.47Å; H402-Y463 VanDerWaalsContact CE1-CE1 3.47Å; H402-Y463 WeakPolarHBondContact CE1-CE1 2.94Å; H402-Y463 AromaticContact CG-CD1 3.41Å; H402-Y463 VanDerWaalsContact CG-CD1 3.41Å; H402-Y463 AromaticContact CG-CE1 3.64Å; H402-Y463 AromaticContact ND1-CD1 3.51Å; H402-Y463 AromaticContact ND1-CE1 3.69Å; H402-Y463 AromaticContact NE2-CD1 3.92Å; H402-Y463 AromaticContact NE2-CE1 3.3Å; H402-Y463 VanDerWaalsContact NE2-CE1 3.3Å; H402-Y463 WeakPolarHBondContact NE2-CE1 3.19Å
403	L	80.2	Confident	88.9	Confident	50 Å²	50	53.4 Å²	53.4	26%	0.262	27%	0.274	S	S	.	.	H	α-helix	trans	-108.6	-13.2	-179.8	-53.5	175.7	0	0	0	112.4	A399 I405 L435 L462	A399-L403 WeakPolarHBondContact O-CA 3.35Å; A399-L403 VanDerWaalsContact O-CB 3.31Å; A399-L403 WeakPolarHBondContact O-CB 3.29Å; A399-L403 PolarHBondContact O-N 3.22Å; L403-I405 HydrophobicContact CB-CB 4.28Å; L403-I405 HydrophobicContact CB-CD1 3.98Å; L403-I405 HydrophobicContact CB-CG1 3.95Å; L403-I405 HydrophobicContact CD1-CD1 4.49Å; L403-I405 PolarHBondContact O-N 3.18Å; L403-L435 HydrophobicContact CD1-CD1 3.77Å; L403-L435 HydrophobicContact CD1-CD2 3.97Å; L403-L435 HydrophobicContact CD2-CD1 4.38Å; L403-L462 HydrophobicContact CD1-CD2 4.07Å; L403-L462 WeakPolarHBondContact CG-O 3.43Å
404	G	81.1	Confident	88.2	Confident	55 Å²	55	48.5 Å²	48.5	57%	0.567	25%	0.254	S	S	*	.			trans	68	15.4	-169.9	0	0	0	0	0	113.2	A399 L400	A399-G404 PolarHBondContact O-N 2.75Å; L400-G404 VanDerWaalsContact O-CA 3.22Å; L400-G404 WeakPolarHBondContact O-CA 3.28Å; L400-G404 PolarHBondContact O-N 2.8Å; L400-G404 VanDerWaalsContact O-N 3.14Å
405	I	78.4	Confident	87.1	Confident	60 Å²	60	53.9 Å²	53.9	31%	0.308	27%	0.272	S	S	.	.			trans	-107.5	113.1	-174.9	-56.2	172.8	0	0	0	109.5	A399 L400 L403 F408 K526	A399-I405 CarbonylContact C-O 3.56Å; A399-I405 PolarHBondContact O-N 2.88Å; L400-I405 PolarHBondContact N-O 3.29Å; L403-I405 HydrophobicContact CB-CB 4.28Å; L403-I405 HydrophobicContact CB-CD1 3.98Å; L403-I405 HydrophobicContact CB-CG1 3.95Å; L403-I405 HydrophobicContact CD1-CD1 4.49Å; L403-I405 PolarHBondContact O-N 3.18Å; I405-F408 HydrophobicContact CB-CD2 4.42Å; I405-F408 HydrophobicContact CB-CE2 4.07Å; I405-F408 HydrophobicContact CG2-CD2 4.07Å; I405-F408 HydrophobicContact CG2-CE2 3.7Å; I405-K526 HydrophobicContact CG2-CD 3.58Å
406	P	82.4	Confident	86	Confident	57 Å²	57	57.9 Å²	57.9	37%	0.37	29%	0.293	S	S	.	.			trans	-73.1	175.8	177.5	30.5	-35.2	0	0	0	112	L400 F408 K526	L400-P406 HydrophobicContact CD1-CB 4.31Å; P406-F408 VanDerWaalsContact C-N 3.3Å; P406-F408 PolarHBondContact O-N 3.38Å; P406-K526 PolarHBondContact O-NZ 3.29Å
407	D	86	Confident	85.1	Confident	93 Å²	93	57.6 Å²	57.6	50%	0.497	29%	0.291	S	S	.	.			trans	60.2	23	167.7	-41.6	-48	0	0	0	117.6	H396 K409 K526	H396-D407 PolarHBondContact ND1-N 2.97Å; D407-K409 PolarHBondContact O-N 3.5Å; D407-K526 IonicContact OD2-NZ 2.75Å
408	F	90	Very high	84.1	Confident	3 Å²	3	55 Å²	55	1%	0.013	28%	0.283	C	S	.	.			trans	-65.1	130	159.6	-89.7	-94	0	0	0	109.5	V372 A374 A399 I405 P406 L435 L462 C524 K526	V372-F408 HydrophobicContact CB-CZ 4.46Å; V372-F408 HydrophobicContact CG1-CE1 4.29Å; V372-F408 HydrophobicContact CG1-CZ 3.99Å; A374-F408 HydrophobicContact CB-CE1 4.07Å; A399-F408 HydrophobicContact CB-CB 3.68Å; A399-F408 HydrophobicContact CB-CD2 3.42Å; A399-F408 VanDerWaalsContact CB-CD2 3.42Å; A399-F408 HydrophobicContact CB-CE2 4.22Å; A399-F408 HydrophobicContact CB-CG 3.69Å; I405-F408 HydrophobicContact CB-CD2 4.42Å; I405-F408 HydrophobicContact CB-CE2 4.07Å; I405-F408 HydrophobicContact CG2-CD2 4.07Å; I405-F408 HydrophobicContact CG2-CE2 3.7Å; P406-F408 VanDerWaalsContact C-N 3.3Å; P406-F408 PolarHBondContact O-N 3.38Å; F408-L435 HydrophobicContact CZ-CD2 3.98Å; F408-L462 HydrophobicContact CD1-CD2 4Å; F408-L462 HydrophobicContact CE1-CD2 4.1Å; F408-L462 HydrophobicContact CG-CD2 4.25Å; F408-L462 HydrophobicContact CZ-CD2 4.43Å; F408-C524 HydrophobicContact CD1-CB 4.02Å; F408-K526 HydrophobicContact CD1-CB 4.09Å; F408-K526 HydrophobicContact CD2-CB 4.12Å; F408-K526 HydrophobicContact CD2-CD 4.16Å; F408-K526 HydrophobicContact CE1-CB 4.02Å; F408-K526 HydrophobicContact CE2-CB 4.06Å; F408-K526 HydrophobicContact CE2-CD 4.03Å; F408-K526 HydrophobicContact CG-CB 4.15Å; F408-K526 HydrophobicContact CZ-CB 4.01Å
409	K	94.2	Very high	83.1	Confident	104 Å²	104	55.8 Å²	55.8	45%	0.452	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	152.7	178.3	-64.5	-177.8	-178.4	-177.6	0	109.9	N392 D407 C524 Y525	N392-K409 VanDerWaalsContact OD1-CA 3.28Å; N392-K409 WeakPolarHBondContact OD1-CA 3.32Å; D407-K409 PolarHBondContact O-N 3.5Å; K409-C524 CarbonylContact O-C 3.49Å; K409-C524 VanDerWaalsContact O-CA 3.23Å; K409-C524 WeakPolarHBondContact O-CA 3.3Å; K409-Y525 HydrophobicContact CB-CD1 4.2Å; K409-Y525 HydrophobicContact CB-CE1 3.65Å; K409-Y525 PolarHBondContact N-O 3.21Å; K409-Y525 WeakPolarHBondContact O-CD1 3.07Å; K409-Y525 PolarHBondContact O-N 2.89Å
410	V	95	Very high	82.3	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	137.3	172.7	72.1	0	0	0	0	110.8	W388 A391 N392 L412 H422 L522 Y525	W388-V410 HydrophobicContact CD2-CG1 4.38Å; W388-V410 HydrophobicContact CZ2-CG1 4.08Å; A391-V410 HydrophobicContact CB-CB 4.41Å; A391-V410 HydrophobicContact CB-CG1 4.21Å; A391-V410 HydrophobicContact CB-CG2 4.11Å; N392-V410 HydrophobicContact CB-CB 4.43Å; N392-V410 HydrophobicContact CB-CG1 3.79Å; N392-V410 PolarHBondContact OD1-N 3.39Å; N392-V410 VanDerWaalsContact OD1-N 3.12Å; V410-L412 HydrophobicContact CB-CB 4.41Å; V410-L412 HydrophobicContact CG1-CB 3.92Å; V410-L412 HydrophobicContact CG2-CB 3.72Å; V410-L412 PolarHBondContact O-N 3.38Å; V410-H422 PolarHBondContact O-CE1 3Å; V410-H422 VanDerWaalsContact O-CE1 3.24Å; V410-H422 PolarHBondContact O-ND1 3.2Å; V410-H422 VanDerWaalsContact O-ND1 3.12Å; V410-L522 HydrophobicContact CG2-CB 4.33Å; V410-L522 HydrophobicContact CG2-CD1 4.49Å; V410-L522 HydrophobicContact CG2-CD2 4.28Å; V410-Y525 WeakPolarHBondContact O-CE1 2.93Å
411	L	93	Very high	81.6	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.324	C	S	.	.			trans	-90.5	80.3	165.4	-175.7	66.7	0	0	0	108.8	F373 I419 H422 W444 F447 M523 Y525	F373-L411 HydrophobicContact CE1-CD2 4.33Å; F373-L411 HydrophobicContact CE2-CD2 4.49Å; F373-L411 HydrophobicContact CZ-CD2 3.77Å; L411-I419 HydrophobicContact CD1-CD1 3.72Å; L411-H422 HydrophobicContact CD1-CB 4.37Å; L411-W444 HydrophobicContact CD1-CH2 3.85Å; L411-W444 HydrophobicContact CD2-CH2 4.33Å; L411-F447 HydrophobicContact CD2-CE1 3.81Å; L411-F447 HydrophobicContact CD2-CZ 3.82Å; L411-M523 HydrophobicContact CB-CB 4.2Å; L411-M523 HydrophobicContact CB-CG 4.26Å; L411-M523 HydrophobicContact CD2-CB 4.43Å; L411-M523 HydrophobicContact CD2-CG 4.06Å; L411-M523 PolarHBondContact N-O 2.8Å; L411-Y525 HydrophobicContact CB-CD1 3.96Å; L411-Y525 HydrophobicContact CB-CE1 4.46Å; L411-Y525 HydrophobicContact CD1-CD1 4.49Å
412	L	91.1	Very high	80.9	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.294	C	S	.	.			trans	-139.2	117.7	-178.1	-166	74.5	0	0	0	109.3	F385 W388 A391 V410 H422 W476 L477 W488 L522	F385-L412 HydrophobicContact CE2-CD2 3.49Å; F385-L412 VanDerWaalsContact CE2-CD2 3.49Å; F385-L412 HydrophobicContact CZ-CD2 3.76Å; W388-L412 PolarHBondContact NE1-O 2.78Å; A391-L412 HydrophobicContact CB-CD2 3.86Å; V410-L412 HydrophobicContact CB-CB 4.41Å; V410-L412 HydrophobicContact CG1-CB 3.92Å; V410-L412 HydrophobicContact CG2-CB 3.72Å; V410-L412 PolarHBondContact O-N 3.38Å; L412-H422 PolarHBondContact O-CE1 3.33Å; L412-H422 PolarHBondContact O-NE2 3.15Å; L412-W476 HydrophobicContact CD1-CB 3.65Å; L412-L477 CarbonylContact C-O 3.59Å; L412-W488 HydrophobicContact CD1-CD2 4.17Å; L412-W488 HydrophobicContact CD1-CE3 4.46Å; L412-W488 HydrophobicContact CD1-CH2 3.65Å; L412-W488 HydrophobicContact CD1-CZ2 3.24Å; L412-W488 HydrophobicContact CD1-CZ3 4.26Å; L412-W488 HydrophobicContact CD2-CB 4.44Å; L412-W488 HydrophobicContact CD2-CD2 3.81Å; L412-W488 HydrophobicContact CD2-CG 3.71Å; L412-W488 HydrophobicContact CD2-CZ2 4.22Å; L412-W488 HydrophobicContact CG-CD2 4.12Å; L412-W488 VanDerWaalsContact CG-CE2 3.46Å; L412-W488 HydrophobicContact CG-CG 4.39Å; L412-W488 HydrophobicContact CG-CH2 4.44Å; L412-W488 HydrophobicContact CG-CZ2 3.59Å; L412-L522 HydrophobicContact CD1-CD2 4.25Å
413	V	83.4	Confident	80.4	Confident	9 Å²	9	55.4 Å²	55.4	6%	0.055	28%	0.275	C	S	.	.			trans	-82.6	131.8	-177.8	177	0	0	0	0	109.9	F417 I419 L477 W488	V413-F417 WeakPolarHBondContact CA-O 3.2Å; V413-I419 HydrophobicContact CG2-CB 3.97Å; V413-I419 HydrophobicContact CG2-CD1 4.04Å; V413-L477 WeakPolarHBondContact CA-O 3.2Å; V413-L477 WeakPolarHBondContact CB-O 3.47Å; V413-L477 HydrophobicContact CG2-CD1 4.41Å; V413-L477 PolarHBondContact N-O 2.85Å; V413-W488 PolarHBondContact O-NE1 3.45Å
414	D	79.7	Confident	80.1	Confident	17 Å²	17	59 Å²	59	9%	0.091	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-141.3	170.4	172.5	-177.4	27.8	0	0	0	109.3	N416 F417	D414-N416 PolarHBondContact O-N 3.2Å; D414-N416 VanDerWaalsContact O-N 3.17Å; D414-F417 PolarHBondContact N-O 3.48Å; D414-F417 VanDerWaalsContact N-O 3.09Å; D414-F417 CarbonylContact O-C 3.45Å; D414-F417 PolarHBondContact O-N 3.47Å
415	R	71.7	Confident	79.3	Confident	183 Å²	183	63.5 Å²	63.5	69%	0.691	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-39	177.7	-175.1	-179.9	179.8	-175.6	-0.5	112.5
416	N	73.9	Confident	79	Confident	83 Å²	83	63.9 Å²	63.9	44%	0.444	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-18.6	179.4	-65.3	-42.3	0	0	0	113.4	D414 R421	D414-N416 PolarHBondContact O-N 3.2Å; D414-N416 VanDerWaalsContact O-N 3.17Å; N416-R421 WeakPolarHBondContact O-CD 3.26Å; N416-R421 PolarHBondContact O-NH1 3.18Å
417	F	74.7	Confident	78.7	Confident	54 Å²	54	62.6 Å²	62.6	24%	0.237	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-130.6	70.5	-177.4	-61.7	-81.8	0	0	0	109.7	W388 V413 D414 H422	W388-F417 HydrophobicContact CB-CD2 4.25Å; W388-F417 AromaticContact CD1-CD2 3.86Å; W388-F417 HydrophobicContact CD2-CD1 4.46Å; W388-F417 AromaticContact CD2-CD2 3.57Å; W388-F417 HydrophobicContact CD2-CD2 3.57Å; W388-F417 AromaticContact CD2-CE2 3.74Å; W388-F417 HydrophobicContact CD2-CE2 3.74Å; W388-F417 AromaticContact CD2-CG 3.96Å; W388-F417 HydrophobicContact CD2-CG 3.96Å; W388-F417 HydrophobicContact CD2-CZ 4.27Å; W388-F417 AromaticContact CE2-CD2 3.83Å; W388-F417 AromaticContact CE2-CG 3.7Å; W388-F417 HydrophobicContact CE3-CD2 4.03Å; W388-F417 HydrophobicContact CE3-CE1 4.43Å; W388-F417 AromaticContact CE3-CE2 3.69Å; W388-F417 HydrophobicContact CE3-CE2 3.69Å; W388-F417 AromaticContact CE3-CZ 3.91Å; W388-F417 HydrophobicContact CE3-CZ 3.91Å; W388-F417 AromaticContact CG-CD2 3.64Å; W388-F417 HydrophobicContact CG-CD2 3.64Å; W388-F417 HydrophobicContact CG-CE2 4.1Å; W388-F417 HydrophobicContact CG-CG 4.23Å; W388-F417 HydrophobicContact CH2-CD1 4.32Å; W388-F417 HydrophobicContact CH2-CE1 4.15Å; W388-F417 HydrophobicContact CH2-CZ 4.39Å; W388-F417 AromaticContact CZ2-CD1 3.99Å; W388-F417 HydrophobicContact CZ2-CD1 3.99Å; W388-F417 HydrophobicContact CZ2-CE1 4.28Å; W388-F417 HydrophobicContact CZ2-CG 4.13Å; W388-F417 HydrophobicContact CZ3-CE1 4.21Å; W388-F417 HydrophobicContact CZ3-CE2 4.24Å; W388-F417 AromaticContact CZ3-CZ 3.98Å; W388-F417 HydrophobicContact CZ3-CZ 3.98Å; W388-F417 AromaticContact NE1-CD2 3.93Å; W388-F417 AromaticContact NE1-CG 3.73Å; V413-F417 WeakPolarHBondContact CA-O 3.2Å; D414-F417 PolarHBondContact N-O 3.48Å; D414-F417 VanDerWaalsContact N-O 3.09Å; D414-F417 CarbonylContact O-C 3.45Å; D414-F417 PolarHBondContact O-N 3.47Å; F417-H422 PolarHBondContact O-NE2 3.35Å
418	P	73.8	Confident	78.2	Confident	42 Å²	42	61.1 Å²	61.1	27%	0.273	27%	0.267	S	S	.	.			trans	-65.2	159	172.4	32.2	-38.3	0	0	0	110.1	E420 R421 H422	P418-E420 WeakPolarHBondContact CB-OE2 3.43Å; P418-E420 PolarHBondContact O-N 2.88Å; P418-R421 HydrophobicContact CG-CB 4.36Å; P418-R421 HydrophobicContact CG-CG 3.89Å; P418-R421 WeakPolarHBondContact O-CB 3.43Å; P418-R421 PolarHBondContact O-N 2.94Å; P418-H422 PolarHBondContact O-CD2 3.48Å
419	I	71	Confident	77.8	Confident	35 Å²	35	66.8 Å²	66.8	18%	0.179	29%	0.293	C	S	.	.	H	α-helix	trans	-52.9	-33.3	-173.7	-167.9	63.9	0	0	0	112.9	L411 V413 R421 H422 I423 W444 L448	L411-I419 HydrophobicContact CD1-CD1 3.72Å; V413-I419 HydrophobicContact CG2-CB 3.97Å; V413-I419 HydrophobicContact CG2-CD1 4.04Å; I419-R421 VanDerWaalsContact C-N 3.3Å; I419-R421 PolarHBondContact O-N 3.14Å; I419-H422 PolarHBondContact O-N 2.88Å; I419-I423 PolarHBondContact O-N 3.36Å; I419-W444 HydrophobicContact CD1-CH2 4.17Å; I419-W444 HydrophobicContact CD1-CZ2 3.99Å; I419-W444 HydrophobicContact CG1-CZ2 4.14Å; I419-L448 HydrophobicContact CD1-CD2 4.25Å; I419-L448 HydrophobicContact CG1-CD2 3.74Å
420	E	67.4	Low	77.3	Confident	130 Å²	130	62.1 Å²	62.1	61%	0.607	27%	0.274	S	S	*	.	H	α-helix	trans	-69	-23.4	178.3	-57.6	81.4	-178.5	0	0	113.6	P418	P418-E420 WeakPolarHBondContact CB-OE2 3.43Å; P418-E420 PolarHBondContact O-N 2.88Å
421	R	72.6	Confident	77.1	Confident	170 Å²	170	63.8 Å²	63.8	64%	0.642	28%	0.284	S	S	*	.	H	α-helix	trans	-79.7	-28.7	173.5	-75	-164.5	-170.9	178.7	-7.8	112.5	N416 P418 I419	N416-R421 WeakPolarHBondContact O-CD 3.26Å; N416-R421 PolarHBondContact O-NH1 3.18Å; P418-R421 HydrophobicContact CG-CB 4.36Å; P418-R421 HydrophobicContact CG-CG 3.89Å; P418-R421 WeakPolarHBondContact O-CB 3.43Å; P418-R421 PolarHBondContact O-N 2.94Å; I419-R421 VanDerWaalsContact C-N 3.3Å; I419-R421 PolarHBondContact O-N 3.14Å
422	H	74.6	Confident	77	Confident	14 Å²	14	63.8 Å²	63.8	7%	0.065	28%	0.284	C	S	.	.	H	α-helix	trans	-68.5	-55.8	175.6	-70.5	-93.8	0	0	0	110.6	W388 V410 L411 L412 F417 P418 I419 Y525	W388-H422 AromaticContact CE2-CE1 3.8Å; W388-H422 AromaticContact CZ2-CE1 3.75Å; W388-H422 AromaticContact NE1-CE1 3.25Å; W388-H422 PolarHBondContact NE1-CE1 3.06Å; W388-H422 VanDerWaalsContact NE1-CE1 3.25Å; W388-H422 AromaticContact NE1-NE2 3.63Å; V410-H422 PolarHBondContact O-CE1 3Å; V410-H422 VanDerWaalsContact O-CE1 3.24Å; V410-H422 PolarHBondContact O-ND1 3.2Å; V410-H422 VanDerWaalsContact O-ND1 3.12Å; L411-H422 HydrophobicContact CD1-CB 4.37Å; L412-H422 PolarHBondContact O-CE1 3.33Å; L412-H422 PolarHBondContact O-NE2 3.15Å; F417-H422 PolarHBondContact O-NE2 3.35Å; P418-H422 PolarHBondContact O-CD2 3.48Å; I419-H422 PolarHBondContact O-N 2.88Å; H422-Y525 WeakPolarHBondContact CA-OH 3.22Å; H422-Y525 HydrophobicContact CB-CE1 4.3Å; H422-Y525 AromaticContact ND1-CE1 3.85Å; H422-Y525 PolarHBondContact O-OH 3.37Å; H422-Y525 VanDerWaalsContact O-OH 3.08Å
423	I	75.2	Confident	76.8	Confident	4 Å²	4	64 Å²	64	2%	0.021	29%	0.286	C	S	.	.	S	Bend	trans	-125.6	104.8	-177.6	-57	-159.4	0	0	0	108.3	I371 I419 Y427 W444 Y525	I371-I423 HydrophobicContact CD1-CD1 3.76Å; I371-I423 HydrophobicContact CD1-CG2 4.07Å; I371-I423 HydrophobicContact CG1-CD1 4.21Å; I371-I423 HydrophobicContact CG2-CD1 3.99Å; I419-I423 PolarHBondContact O-N 3.36Å; I423-Y427 VanDerWaalsContact CG2-CB 3.43Å; I423-Y427 HydrophobicContact CG2-CD2 4.38Å; I423-Y427 HydrophobicContact CG2-CG 4.11Å; I423-W444 HydrophobicContact CB-CD2 4.17Å; I423-W444 HydrophobicContact CB-CH2 4.35Å; I423-W444 HydrophobicContact CB-CZ2 3.76Å; I423-W444 HydrophobicContact CD1-CD2 3.83Å; I423-W444 HydrophobicContact CD1-CE3 3.51Å; I423-W444 HydrophobicContact CD1-CH2 3.59Å; I423-W444 HydrophobicContact CD1-CZ2 3.88Å; I423-W444 HydrophobicContact CD1-CZ3 3.37Å; I423-W444 HydrophobicContact CG1-CD2 4.48Å; I423-W444 HydrophobicContact CG1-CH2 4.02Å; I423-W444 HydrophobicContact CG1-CZ2 3.94Å; I423-W444 HydrophobicContact CG1-CZ3 4.29Å; I423-W444 HydrophobicContact CG2-CD2 3.87Å; I423-W444 HydrophobicContact CG2-CG 3.87Å; I423-W444 HydrophobicContact CG2-CZ2 4.37Å; I423-Y525 HydrophobicContact CD1-CD2 3.92Å; I423-Y525 HydrophobicContact CD1-CE2 4.04Å; I423-Y525 HydrophobicContact CG1-CD2 4.29Å; I423-Y525 HydrophobicContact CG1-CE2 3.88Å
424	K	72.1	Confident	77	Confident	126 Å²	126	63.7 Å²	63.7	55%	0.548	28%	0.283	S	S	.	.			trans	-56.6	148.7	-179.8	-62.6	-179.8	179.7	177.8	0	109.8	Q426 Y427	K424-Q426 PolarHBondContact O-N 2.94Å; K424-Y427 HydrophobicContact CB-CD2 4.08Å; K424-Y427 HydrophobicContact CB-CE2 4.42Å; K424-Y427 WeakPolarHBondContact O-CB 3.31Å; K424-Y427 PolarHBondContact O-N 3.41Å
425	W	65.7	Low	77.3	Confident	149 Å²	149	65 Å²	65	56%	0.564	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-50.6	-27.8	178.7	69.1	-95	0	0	0	114.2	Y427 Q428	W425-Y427 PolarHBondContact O-N 3.47Å; W425-Y427 VanDerWaalsContact O-N 3.15Å; W425-Q428 WeakPolarHBondContact O-CB 3.44Å; W425-Q428 WeakPolarHBondContact O-CG 3.1Å; W425-Q428 PolarHBondContact O-N 3.19Å; W425-Q428 VanDerWaalsContact O-N 3.08Å
426	Q	71.4	Confident	77.8	Confident	69 Å²	69	58.1 Å²	58.1	32%	0.322	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-60	-23.9	177.7	-64	175.5	-15.4	0	0	113.4	R366 K424	R366-Q426 PolarHBondContact NH1-O 3.19Å; K424-Q426 PolarHBondContact O-N 2.94Å
427	Y	77	Confident	78.4	Confident	30 Å²	30	58 Å²	58	12%	0.118	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-90.3	5.9	179.2	-67.9	-83.7	0	0	0	113.4	E369 I423 K424 W425 H429 V430 W444 I527	E369-Y427 HydrophobicContact CB-CE1 4.3Å; E369-Y427 VanDerWaalsContact CD-CE1 3.42Å; E369-Y427 HydrophobicContact CG-CE1 4.42Å; E369-Y427 PolarHBondContact OE1-OH 3.36Å; E369-Y427 WeakPolarHBondContact OE2-CE1 3.37Å; I423-Y427 VanDerWaalsContact CG2-CB 3.43Å; I423-Y427 HydrophobicContact CG2-CD2 4.38Å; I423-Y427 HydrophobicContact CG2-CG 4.11Å; K424-Y427 HydrophobicContact CB-CD2 4.08Å; K424-Y427 HydrophobicContact CB-CE2 4.42Å; K424-Y427 WeakPolarHBondContact O-CB 3.31Å; K424-Y427 PolarHBondContact O-N 3.41Å; W425-Y427 PolarHBondContact O-N 3.47Å; W425-Y427 VanDerWaalsContact O-N 3.15Å; Y427-H429 PolarHBondContact O-N 3.09Å; Y427-V430 HydrophobicContact CD1-CB 4.23Å; Y427-V430 HydrophobicContact CD1-CG1 4.41Å; Y427-V430 HydrophobicContact CD1-CG2 3.79Å; Y427-V430 HydrophobicContact CG-CG2 4.49Å; Y427-V430 WeakPolarHBondContact O-CB 3.06Å; Y427-V430 PolarHBondContact O-N 2.98Å; Y427-W444 VanDerWaalsContact O-CB 3.3Å; Y427-W444 WeakPolarHBondContact O-CB 2.74Å; Y427-I527 HydrophobicContact CD1-CD1 4.43Å; Y427-I527 HydrophobicContact CD1-CG2 4.3Å; Y427-I527 HydrophobicContact CD2-CD1 4.39Å; Y427-I527 HydrophobicContact CE1-CD1 4.19Å; Y427-I527 HydrophobicContact CE1-CG2 3.58Å; Y427-I527 HydrophobicContact CE2-CD1 4.12Å
428	Q	74.2	Confident	78.9	Confident	62 Å²	62	59.6 Å²	59.6	29%	0.29	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-27.7	-177.3	-82.4	176.2	18	0	0	114.6	W425 K443 R445	W425-Q428 WeakPolarHBondContact O-CB 3.44Å; W425-Q428 WeakPolarHBondContact O-CG 3.1Å; W425-Q428 PolarHBondContact O-N 3.19Å; W425-Q428 VanDerWaalsContact O-N 3.08Å; Q428-K443 WeakPolarHBondContact O-CB 3.42Å; Q428-R445 HydrophobicContact CB-CB 4.49Å; Q428-R445 VanDerWaalsContact O-CB 3.28Å; Q428-R445 WeakPolarHBondContact O-CB 3.42Å; Q428-R445 PolarHBondContact O-N 3Å
429	H	81.4	Confident	79.6	Confident	122 Å²	122	60.6 Å²	60.6	57%	0.565	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	2.9	179.3	-59.6	-47.4	0	0	0	113.8	Y427	Y427-H429 PolarHBondContact O-N 3.09Å
430	V	84.9	Confident	80.3	Confident	6 Å²	6	59.2 Å²	59.2	4%	0.036	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-79.2	129.6	-179.3	170.2	0	0	0	0	109.2	E369 I371 Y427 K443 W444	E369-V430 HydrophobicContact CB-CG1 4.34Å; E369-V430 HydrophobicContact CB-CG2 4.19Å; E369-V430 WeakPolarHBondContact O-CG1 3.44Å; I371-V430 HydrophobicContact CD1-CB 4.17Å; I371-V430 HydrophobicContact CD1-CG1 3.92Å; I371-V430 HydrophobicContact CG1-CG1 3.79Å; Y427-V430 HydrophobicContact CD1-CB 4.23Å; Y427-V430 HydrophobicContact CD1-CG1 4.41Å; Y427-V430 HydrophobicContact CD1-CG2 3.79Å; Y427-V430 HydrophobicContact CG-CG2 4.49Å; Y427-V430 WeakPolarHBondContact O-CB 3.06Å; Y427-V430 PolarHBondContact O-N 2.98Å; V430-K443 CarbonylContact O-C 3.47Å; V430-K443 WeakPolarHBondContact O-CA 3.33Å; V430-W444 PolarHBondContact O-N 2.99Å
431	P	90.4	Very high	81.3	Confident	34 Å²	34	53.1 Å²	53.1	22%	0.221	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-67.5	148.2	179.7	27.8	-35.3	0	0	0	111.4	K370 I371 T439 T442	K370-P431 HydrophobicContact CG-CG 4.3Å; I371-P431 PolarHBondContact N-O 2.95Å; P431-T439 HydrophobicContact CB-CG2 4.42Å; P431-T442 VanDerWaalsContact CA-O 3.31Å; P431-T442 WeakPolarHBondContact CA-O 3.25Å; P431-T442 WeakPolarHBondContact CB-O 3.18Å
432	I	90.2	Very high	81.8	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	122	169.4	-56.1	174.8	0	0	0	108	I371 F373 V440 F441 W444 F447	I371-I432 HydrophobicContact CB-CG1 4.33Å; I371-I432 HydrophobicContact CG2-CG1 4.45Å; I371-I432 CarbonylContact O-C 3.51Å; I371-I432 VanDerWaalsContact O-CA 3.25Å; I371-I432 WeakPolarHBondContact O-CA 3.33Å; F373-I432 HydrophobicContact CB-CG2 3.82Å; F373-I432 HydrophobicContact CD1-CG2 3.63Å; F373-I432 HydrophobicContact CD2-CG2 3.54Å; F373-I432 HydrophobicContact CE1-CD1 4.29Å; F373-I432 HydrophobicContact CE1-CG2 4.1Å; F373-I432 HydrophobicContact CE2-CD1 3.99Å; F373-I432 HydrophobicContact CE2-CG2 4.01Å; F373-I432 HydrophobicContact CG-CG2 3.35Å; F373-I432 HydrophobicContact CZ-CD1 3.87Å; F373-I432 HydrophobicContact CZ-CG2 4.29Å; I432-V440 PolarHBondContact O-N 3.02Å; I432-F441 HydrophobicContact CB-CB 4.03Å; I432-F441 HydrophobicContact CB-CD2 4.11Å; I432-F441 HydrophobicContact CD1-CB 3.99Å; I432-F441 HydrophobicContact CD1-CD2 3.75Å; I432-F441 HydrophobicContact CD1-CG 4.12Å; I432-F441 HydrophobicContact CG1-CB 4.24Å; I432-F441 HydrophobicContact CG2-CD2 4.23Å; I432-F441 PolarHBondContact N-O 2.91Å; I432-F441 PolarHBondContact O-N 2.87Å; I432-F441 VanDerWaalsContact O-N 3.17Å; I432-W444 HydrophobicContact CD1-CE3 3.69Å; I432-W444 HydrophobicContact CD1-CZ3 4.23Å; I432-W444 HydrophobicContact CG1-CE3 4.25Å; I432-F447 HydrophobicContact CD1-CB 3.43Å; I432-F447 VanDerWaalsContact CD1-CB 3.43Å; I432-F447 HydrophobicContact CD1-CD1 4.4Å; I432-F447 HydrophobicContact CD1-CG 3.97Å
433	I	88.3	Confident	82.4	Confident	6 Å²	6	52.7 Å²	52.7	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	159.3	176.7	61.5	164.1	0	0	0	111	K370 I371 V372 F373 Q438	K370-I433 HydrophobicContact CB-CD1 4.03Å; K370-I433 HydrophobicContact CB-CG1 4.19Å; K370-I433 HydrophobicContact CD-CD1 3.68Å; K370-I433 HydrophobicContact CD-CG1 4.38Å; K370-I433 HydrophobicContact CD-CG2 4.12Å; I371-I433 PolarHBondContact O-N 2.98Å; V372-I433 CarbonylContact C-O 3.52Å; V372-I433 WeakPolarHBondContact CA-O 3.36Å; V372-I433 HydrophobicContact CG2-CD1 3.92Å; V372-I433 HydrophobicContact CG2-CG1 3.95Å; F373-I433 PolarHBondContact N-O 2.04Å; I433-Q438 CarbonylContact C-O 3.6Å; I433-Q438 WeakPolarHBondContact CA-O 3.41Å; I433-Q438 WeakPolarHBondContact CB-O 3.25Å
434	N	87.7	Confident	82.8	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	27%	0.27	C	S	.	.			trans	-88.7	179.8	168.6	66.7	11.7	0	0	0	111.5	G436 S437 Q438 V440 V457 P458 Y460	N434-G436 PolarHBondContact O-N 2.86Å; N434-G436 VanDerWaalsContact OD1-C 3.26Å; N434-G436 WeakPolarHBondContact OD1-CA 3.27Å; N434-G436 PolarHBondContact OD1-N 2.85Å; N434-S437 PolarHBondContact O-N 2.96Å; N434-S437 PolarHBondContact OD1-N 2.99Å; N434-S437 VanDerWaalsContact OD1-N 3.16Å; N434-Q438 PolarHBondContact N-O 3.4Å; N434-Q438 PolarHBondContact ND2-OE1 3.18Å; N434-Q438 WeakPolarHBondContact OD1-CB 3.39Å; N434-Q438 PolarHBondContact OD1-N 3.24Å; N434-Q438 PolarHBondContact OD1-O 2.93Å; N434-V440 HydrophobicContact CB-CG2 3.89Å; N434-V457 WeakPolarHBondContact ND2-CG1 3.5Å; N434-P458 PolarHBondContact ND2-O 3.49Å; N434-Y460 HydrophobicContact CB-CD2 3.83Å; N434-Y460 HydrophobicContact CB-CE2 4.26Å; N434-Y460 VanDerWaalsContact ND2-CE2 3.3Å; N434-Y460 WeakPolarHBondContact ND2-CE2 3.1Å
435	L	85.1	Confident	83	Confident	45 Å²	45	51.1 Å²	51.1	24%	0.236	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.4	175.6	-67.6	179.6	0	0	0	113.1	V372 A374 L403 F408 S437 Y460 D461	V372-L435 HydrophobicContact CG1-CD2 3.82Å; A374-L435 HydrophobicContact CB-CD1 3.98Å; A374-L435 HydrophobicContact CB-CD2 4.15Å; A374-L435 HydrophobicContact CB-CG 3.93Å; L403-L435 HydrophobicContact CD1-CD1 3.77Å; L403-L435 HydrophobicContact CD1-CD2 3.97Å; L403-L435 HydrophobicContact CD2-CD1 4.38Å; F408-L435 HydrophobicContact CZ-CD2 3.98Å; L435-S437 PolarHBondContact O-N 2.86Å; L435-Y460 HydrophobicContact CB-CD1 4.47Å; L435-Y460 HydrophobicContact CB-CG 4.14Å; L435-D461 WeakPolarHBondContact CD1-O 3.07Å
436	G	82.3	Confident	83.5	Confident	38 Å²	38	45 Å²	45	39%	0.392	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	10.3	172.8	0	0	0	0	0	115	N434 Q438	N434-G436 PolarHBondContact O-N 2.86Å; N434-G436 VanDerWaalsContact OD1-C 3.26Å; N434-G436 WeakPolarHBondContact OD1-CA 3.27Å; N434-G436 PolarHBondContact OD1-N 2.85Å; G436-Q438 PolarHBondContact O-N 3.05Å; G436-Q438 VanDerWaalsContact O-N 3.15Å
437	S	85.7	Confident	83.9	Confident	82 Å²	82	42.1 Å²	42.1	57%	0.573	23%	0.226	S	C	*	.	S	Bend	trans	61.3	15.7	-177.6	-62.9	0	0	0	0	115.7	N434 L435	N434-S437 PolarHBondContact O-N 2.96Å; N434-S437 PolarHBondContact OD1-N 2.99Å; N434-S437 VanDerWaalsContact OD1-N 3.16Å; L435-S437 PolarHBondContact O-N 2.86Å
438	Q	85.5	Confident	83.6	Confident	87 Å²	87	44 Å²	44	41%	0.407	24%	0.237	S	C	.	.			trans	-86.4	140.5	175.2	-59.2	172.7	-33.3	0	0	110	I433 N434 G436 V440 V457	I433-Q438 CarbonylContact C-O 3.6Å; I433-Q438 WeakPolarHBondContact CA-O 3.41Å; I433-Q438 WeakPolarHBondContact CB-O 3.25Å; N434-Q438 PolarHBondContact N-O 3.4Å; N434-Q438 PolarHBondContact ND2-OE1 3.18Å; N434-Q438 WeakPolarHBondContact OD1-CB 3.39Å; N434-Q438 PolarHBondContact OD1-N 3.24Å; N434-Q438 PolarHBondContact OD1-O 2.93Å; G436-Q438 PolarHBondContact O-N 3.05Å; G436-Q438 VanDerWaalsContact O-N 3.15Å; Q438-V440 PolarHBondContact O-N 2.83Å; Q438-V457 HydrophobicContact CB-CG1 3.7Å; Q438-V457 HydrophobicContact CB-CG2 4.19Å
439	T	88.2	Confident	83	Confident	63 Å²	63	45.2 Å²	45.2	39%	0.387	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	118.2	179.1	-59	0	0	0	0	110.3	P431 F441	P431-T439 HydrophobicContact CB-CG2 4.42Å; T439-F441 WeakPolarHBondContact CG2-O 3.19Å
440	V	87.3	Confident	82.1	Confident	5 Å²	5	40 Å²	40	3%	0.03	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-55.7	172.9	-173.8	0	0	0	0	108.8	I432 N434 Q438 S453 N454 V457 L459	I432-V440 PolarHBondContact O-N 3.02Å; N434-V440 HydrophobicContact CB-CG2 3.89Å; Q438-V440 PolarHBondContact O-N 2.83Å; V440-S453 WeakPolarHBondContact O-CB 3.12Å; V440-S453 PolarHBondContact O-OG 2.87Å; V440-N454 PolarHBondContact O-N 3.36Å; V440-V457 HydrophobicContact CG2-CG1 4.02Å; V440-L459 HydrophobicContact CG1-CD2 4.13Å; V440-L459 HydrophobicContact CG2-CD2 4.08Å
441	F	86.7	Confident	81.2	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.009	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136.5	175.4	-59.3	-90.5	0	0	0	110	I432 T439 K443 D446 F447 S453 F502 V509	I432-F441 HydrophobicContact CB-CB 4.03Å; I432-F441 HydrophobicContact CB-CD2 4.11Å; I432-F441 HydrophobicContact CD1-CB 3.99Å; I432-F441 HydrophobicContact CD1-CD2 3.75Å; I432-F441 HydrophobicContact CD1-CG 4.12Å; I432-F441 HydrophobicContact CG1-CB 4.24Å; I432-F441 HydrophobicContact CG2-CD2 4.23Å; I432-F441 PolarHBondContact N-O 2.91Å; I432-F441 PolarHBondContact O-N 2.87Å; I432-F441 VanDerWaalsContact O-N 3.17Å; T439-F441 WeakPolarHBondContact CG2-O 3.19Å; F441-K443 PolarHBondContact O-N 2.96Å; F441-D446 HydrophobicContact CB-CB 4.33Å; F441-D446 HydrophobicContact CD1-CB 4.3Å; F441-F447 HydrophobicContact CD1-CB 4.01Å; F441-F447 HydrophobicContact CD2-CB 3.94Å; F441-F447 HydrophobicContact CD2-CD2 4.4Å; F441-F447 HydrophobicContact CE1-CB 4.17Å; F441-F447 HydrophobicContact CE1-CD2 4.43Å; F441-F447 HydrophobicContact CE2-CB 4.11Å; F441-F447 AromaticContact CE2-CD2 3.77Å; F441-F447 HydrophobicContact CE2-CD2 3.77Å; F441-F447 HydrophobicContact CE2-CG 4.37Å; F441-F447 HydrophobicContact CG-CB 3.9Å; F441-F447 HydrophobicContact CZ-CB 4.23Å; F441-F447 AromaticContact CZ-CD2 3.8Å; F441-F447 HydrophobicContact CZ-CD2 3.8Å; F441-S453 VanDerWaalsContact CD1-CB 3.48Å; F441-F502 HydrophobicContact CE1-CE2 4.39Å; F441-F502 HydrophobicContact CZ-CD2 4.14Å; F441-F502 HydrophobicContact CZ-CE2 4.14Å; F441-V509 HydrophobicContact CE1-CG2 3.81Å; F441-V509 HydrophobicContact CZ-CG2 3.6Å
442	T	84.8	Confident	79.8	Confident	90 Å²	90	50.1 Å²	50.1	55%	0.552	26%	0.258	S	S	*	.	S	Bend	trans	-66.1	-26.2	-177	76.8	0	0	0	0	112.2	P431 D446	P431-T442 VanDerWaalsContact CA-O 3.31Å; P431-T442 WeakPolarHBondContact CA-O 3.25Å; P431-T442 WeakPolarHBondContact CB-O 3.18Å; T442-D446 PolarHBondContact N-OD2 2.89Å; T442-D446 PolarHBondContact OG1-OD2 2.77Å
443	K	85.7	Confident	78.7	Confident	86 Å²	86	50.6 Å²	50.6	37%	0.374	26%	0.261	S	S	.	.	S	Bend	trans	-145	147.8	178.7	-61.1	174.9	-174.2	172.8	0	110.1	Q428 V430 F441 R445 D446	Q428-K443 WeakPolarHBondContact O-CB 3.42Å; V430-K443 CarbonylContact O-C 3.47Å; V430-K443 WeakPolarHBondContact O-CA 3.33Å; F441-K443 PolarHBondContact O-N 2.96Å; K443-R445 HydrophobicContact CB-CB 4.4Å; K443-R445 PolarHBondContact O-N 3.35Å; K443-R445 VanDerWaalsContact O-N 3.13Å; K443-D446 PolarHBondContact N-OD2 2.81Å; K443-D446 WeakPolarHBondContact O-CB 3.28Å; K443-D446 PolarHBondContact O-N 3.43Å
444	W	84.2	Confident	78	Confident	5 Å²	5	54.1 Å²	54.1	2%	0.019	28%	0.28	C	S	.	.	H	α-helix	trans	-47.2	-41.4	168	170.9	-119.1	0	0	0	112.2	I371 F373 L411 I419 I423 Y427 V430 I432 D446 F447 L448	I371-W444 HydrophobicContact CD1-CB 3.85Å; I371-W444 HydrophobicContact CD1-CD2 4.35Å; I371-W444 HydrophobicContact CD1-CE3 4.16Å; I371-W444 HydrophobicContact CD1-CG 4.23Å; F373-W444 AromaticContact CE1-CZ3 3.91Å; F373-W444 HydrophobicContact CE1-CZ3 3.91Å; F373-W444 HydrophobicContact CZ-CE3 4.42Å; F373-W444 AromaticContact CZ-CZ3 3.64Å; F373-W444 HydrophobicContact CZ-CZ3 3.64Å; L411-W444 HydrophobicContact CD1-CH2 3.85Å; L411-W444 HydrophobicContact CD2-CH2 4.33Å; I419-W444 HydrophobicContact CD1-CH2 4.17Å; I419-W444 HydrophobicContact CD1-CZ2 3.99Å; I419-W444 HydrophobicContact CG1-CZ2 4.14Å; I423-W444 HydrophobicContact CB-CD2 4.17Å; I423-W444 HydrophobicContact CB-CH2 4.35Å; I423-W444 HydrophobicContact CB-CZ2 3.76Å; I423-W444 HydrophobicContact CD1-CD2 3.83Å; I423-W444 HydrophobicContact CD1-CE3 3.51Å; I423-W444 HydrophobicContact CD1-CH2 3.59Å; I423-W444 HydrophobicContact CD1-CZ2 3.88Å; I423-W444 HydrophobicContact CD1-CZ3 3.37Å; I423-W444 HydrophobicContact CG1-CD2 4.48Å; I423-W444 HydrophobicContact CG1-CH2 4.02Å; I423-W444 HydrophobicContact CG1-CZ2 3.94Å; I423-W444 HydrophobicContact CG1-CZ3 4.29Å; I423-W444 HydrophobicContact CG2-CD2 3.87Å; I423-W444 HydrophobicContact CG2-CG 3.87Å; I423-W444 HydrophobicContact CG2-CZ2 4.37Å; Y427-W444 VanDerWaalsContact O-CB 3.3Å; Y427-W444 WeakPolarHBondContact O-CB 2.74Å; V430-W444 PolarHBondContact O-N 2.99Å; I432-W444 HydrophobicContact CD1-CE3 3.69Å; I432-W444 HydrophobicContact CD1-CZ3 4.23Å; I432-W444 HydrophobicContact CG1-CE3 4.25Å; W444-D446 VanDerWaalsContact C-N 3.26Å; W444-D446 PolarHBondContact O-N 2.98Å; W444-F447 HydrophobicContact CE3-CD1 4.05Å; W444-F447 AromaticContact CH2-CD1 3.83Å; W444-F447 HydrophobicContact CH2-CD1 3.83Å; W444-F447 AromaticContact CH2-CE1 3.84Å; W444-F447 HydrophobicContact CH2-CE1 3.84Å; W444-F447 AromaticContact CZ3-CD1 3.57Å; W444-F447 HydrophobicContact CZ3-CD1 3.57Å; W444-F447 AromaticContact CZ3-CE1 3.91Å; W444-F447 HydrophobicContact CZ3-CE1 3.91Å; W444-F447 WeakPolarHBondContact O-CB 3.49Å; W444-F447 PolarHBondContact O-N 3.34Å; W444-L448 HydrophobicContact CD2-CG 4.44Å; W444-L448 HydrophobicContact CH2-CD2 4.29Å; W444-L448 HydrophobicContact CZ2-CD1 4.19Å; W444-L448 HydrophobicContact CZ2-CD2 3.71Å; W444-L448 HydrophobicContact CZ2-CG 4Å; W444-L448 VanDerWaalsContact NE1-CD1 3.34Å; W444-L448 PolarHBondContact O-N 3.33Å
445	R	77.4	Confident	77.3	Confident	91 Å²	91	55.3 Å²	55.3	34%	0.343	29%	0.287	S	S	.	.	H	α-helix	trans	-61.6	-31.7	178.4	-171.6	173.2	-146.7	-164.6	4.1	113.5	Q428 K443 L448 Y449	Q428-R445 HydrophobicContact CB-CB 4.49Å; Q428-R445 VanDerWaalsContact O-CB 3.28Å; Q428-R445 WeakPolarHBondContact O-CB 3.42Å; Q428-R445 PolarHBondContact O-N 3Å; K443-R445 HydrophobicContact CB-CB 4.4Å; K443-R445 PolarHBondContact O-N 3.35Å; K443-R445 VanDerWaalsContact O-N 3.13Å; R445-L448 PolarHBondContact O-N 2.67Å; R445-Y449 HydrophobicContact CG-CD2 3.54Å; R445-Y449 HydrophobicContact CG-CE2 3.11Å; R445-Y449 PolarHBondContact NE-OH 2.84Å; R445-Y449 VanDerWaalsContact NE-OH 3.16Å; R445-Y449 PolarHBondContact NH2-OH 2.8Å; R445-Y449 WeakPolarHBondContact O-CD2 3.42Å; R445-Y449 PolarHBondContact O-N 3.47Å; R445-Y449 VanDerWaalsContact O-N 3.16Å
446	D	75	Confident	76.9	Confident	21 Å²	21	59.3 Å²	59.3	11%	0.112	31%	0.309	C	S	.	.	H	α-helix	trans	-68.2	-39.8	179.4	-58.4	-22.3	0	0	0	110.9	F441 T442 K443 W444 Y449 G450 I451	F441-D446 HydrophobicContact CB-CB 4.33Å; F441-D446 HydrophobicContact CD1-CB 4.3Å; T442-D446 PolarHBondContact N-OD2 2.89Å; T442-D446 PolarHBondContact OG1-OD2 2.77Å; K443-D446 PolarHBondContact N-OD2 2.81Å; K443-D446 WeakPolarHBondContact O-CB 3.28Å; K443-D446 PolarHBondContact O-N 3.43Å; W444-D446 VanDerWaalsContact C-N 3.26Å; W444-D446 PolarHBondContact O-N 2.98Å; D446-Y449 PolarHBondContact O-N 2.76Å; D446-G450 PolarHBondContact O-N 3.02Å; D446-G450 VanDerWaalsContact O-N 3.09Å; D446-I451 HydrophobicContact CB-CB 4Å; D446-I451 HydrophobicContact CB-CG2 4.35Å; D446-I451 PolarHBondContact O-N 2.86Å
447	F	80	Confident	76.8	Confident	9 Å²	9	58.1 Å²	58.1	4%	0.039	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-48.7	173.1	165	-103.2	0	0	0	111.6	F373 L411 I432 F441 W444 Y449 G450 W500 V509	F373-F447 HydrophobicContact CE2-CD1 4.44Å; F373-F447 AromaticContact CE2-CD2 3.97Å; F373-F447 HydrophobicContact CE2-CD2 3.97Å; F373-F447 HydrophobicContact CE2-CE1 4.43Å; F373-F447 AromaticContact CE2-CE2 3.97Å; F373-F447 HydrophobicContact CE2-CE2 3.97Å; F373-F447 HydrophobicContact CE2-CG 4.22Å; F373-F447 HydrophobicContact CE2-CZ 4.2Å; F373-F447 HydrophobicContact CZ-CD1 4.18Å; F373-F447 HydrophobicContact CZ-CE1 4.13Å; F373-F447 HydrophobicContact CZ-CE2 4.46Å; F373-F447 HydrophobicContact CZ-CG 4.37Å; F373-F447 HydrophobicContact CZ-CZ 4.28Å; L411-F447 HydrophobicContact CD2-CE1 3.81Å; L411-F447 HydrophobicContact CD2-CZ 3.82Å; I432-F447 HydrophobicContact CD1-CB 3.43Å; I432-F447 VanDerWaalsContact CD1-CB 3.43Å; I432-F447 HydrophobicContact CD1-CD1 4.4Å; I432-F447 HydrophobicContact CD1-CG 3.97Å; F441-F447 HydrophobicContact CD1-CB 4.01Å; F441-F447 HydrophobicContact CD2-CB 3.94Å; F441-F447 HydrophobicContact CD2-CD2 4.4Å; F441-F447 HydrophobicContact CE1-CB 4.17Å; F441-F447 HydrophobicContact CE1-CD2 4.43Å; F441-F447 HydrophobicContact CE2-CB 4.11Å; F441-F447 AromaticContact CE2-CD2 3.77Å; F441-F447 HydrophobicContact CE2-CD2 3.77Å; F441-F447 HydrophobicContact CE2-CG 4.37Å; F441-F447 HydrophobicContact CG-CB 3.9Å; F441-F447 HydrophobicContact CZ-CB 4.23Å; F441-F447 AromaticContact CZ-CD2 3.8Å; F441-F447 HydrophobicContact CZ-CD2 3.8Å; W444-F447 HydrophobicContact CE3-CD1 4.05Å; W444-F447 AromaticContact CH2-CD1 3.83Å; W444-F447 HydrophobicContact CH2-CD1 3.83Å; W444-F447 AromaticContact CH2-CE1 3.84Å; W444-F447 HydrophobicContact CH2-CE1 3.84Å; W444-F447 AromaticContact CZ3-CD1 3.57Å; W444-F447 HydrophobicContact CZ3-CD1 3.57Å; W444-F447 AromaticContact CZ3-CE1 3.91Å; W444-F447 HydrophobicContact CZ3-CE1 3.91Å; W444-F447 WeakPolarHBondContact O-CB 3.49Å; W444-F447 PolarHBondContact O-N 3.34Å; F447-Y449 PolarHBondContact O-N 3.1Å; F447-G450 PolarHBondContact O-N 2.97Å; F447-W500 AromaticContact CE2-CD2 3.94Å; F447-W500 HydrophobicContact CE2-CD2 3.94Å; F447-W500 AromaticContact CE2-CE2 3.82Å; F447-W500 AromaticContact CE2-CE3 3.95Å; F447-W500 HydrophobicContact CE2-CE3 3.95Å; F447-W500 AromaticContact CE2-CH2 3.71Å; F447-W500 HydrophobicContact CE2-CH2 3.71Å; F447-W500 AromaticContact CE2-CZ2 3.71Å; F447-W500 HydrophobicContact CE2-CZ2 3.71Å; F447-W500 AromaticContact CE2-CZ3 3.83Å; F447-W500 HydrophobicContact CE2-CZ3 3.83Å; F447-W500 HydrophobicContact CZ-CD2 4.25Å; F447-W500 AromaticContact CZ-CE2 3.94Å; F447-W500 HydrophobicContact CZ-CZ2 4.09Å; F447-V509 HydrophobicContact CD2-CG2 3.86Å; F447-V509 HydrophobicContact CE2-CG1 4.45Å; F447-V509 HydrophobicContact CE2-CG2 4.22Å
448	L	71.1	Confident	76.7	Confident	70 Å²	70	55.3 Å²	55.3	37%	0.366	27%	0.273	S	S	.	.	H	α-helix	trans	-59.9	-30.5	179.7	-71.3	-178	0	0	0	113.4	I419 W444 R445	I419-L448 HydrophobicContact CD1-CD2 4.25Å; I419-L448 HydrophobicContact CG1-CD2 3.74Å; W444-L448 HydrophobicContact CD2-CG 4.44Å; W444-L448 HydrophobicContact CH2-CD2 4.29Å; W444-L448 HydrophobicContact CZ2-CD1 4.19Å; W444-L448 HydrophobicContact CZ2-CD2 3.71Å; W444-L448 HydrophobicContact CZ2-CG 4Å; W444-L448 VanDerWaalsContact NE1-CD1 3.34Å; W444-L448 PolarHBondContact O-N 3.33Å; R445-L448 PolarHBondContact O-N 2.67Å
449	Y	61.1	Low	76.7	Confident	86 Å²	86	51.3 Å²	51.3	34%	0.337	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	2.9	179.1	-63.6	-40.2	0	0	0	113.8	R445 D446 F447 I451	R445-Y449 HydrophobicContact CG-CD2 3.54Å; R445-Y449 HydrophobicContact CG-CE2 3.11Å; R445-Y449 PolarHBondContact NE-OH 2.84Å; R445-Y449 VanDerWaalsContact NE-OH 3.16Å; R445-Y449 PolarHBondContact NH2-OH 2.8Å; R445-Y449 WeakPolarHBondContact O-CD2 3.42Å; R445-Y449 PolarHBondContact O-N 3.47Å; R445-Y449 VanDerWaalsContact O-N 3.16Å; D446-Y449 PolarHBondContact O-N 2.76Å; F447-Y449 PolarHBondContact O-N 3.1Å; Y449-I451 HydrophobicContact CD2-CD1 4.09Å; Y449-I451 HydrophobicContact CG-CD1 4.48Å; Y449-I451 PolarHBondContact O-N 3.26Å
450	G	63	Low	76.7	Confident	14 Å²	14	50.6 Å²	50.6	14%	0.144	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	27.8	-174.2	0	0	0	0	0	114.2	D446 F447 Q508	D446-G450 PolarHBondContact O-N 3.02Å; D446-G450 VanDerWaalsContact O-N 3.09Å; F447-G450 PolarHBondContact O-N 2.97Å; G450-Q508 WeakPolarHBondContact O-CB 3.32Å
451	I	65.8	Low	76.9	Confident	74 Å²	74	51.3 Å²	51.3	38%	0.379	25%	0.249	S	C	.	.			trans	-67.5	147	176.6	-66.3	171.3	0	0	0	109.3	D446 Y449 S453	D446-I451 HydrophobicContact CB-CB 4Å; D446-I451 HydrophobicContact CB-CG2 4.35Å; D446-I451 PolarHBondContact O-N 2.86Å; Y449-I451 HydrophobicContact CD2-CD1 4.09Å; Y449-I451 HydrophobicContact CG-CD1 4.48Å; Y449-I451 PolarHBondContact O-N 3.26Å; I451-S453 PolarHBondContact O-N 3.24Å
452	R	59.9	Low	77.1	Confident	178 Å²	178	51.2 Å²	51.2	67%	0.672	25%	0.249	S	C	*	.			trans	-48.9	120	-177.1	-171.3	172.8	-179.5	-175.9	1.3	111.8	G507	R452-G507 CarbonylContact C-O 3.54Å; R452-G507 WeakPolarHBondContact CA-O 3.42Å
453	S	68.7	Low	77.2	Confident	10 Å²	10	52 Å²	52	7%	0.07	24%	0.242	C	C	.	.			trans	-96.2	174.8	173.2	112.9	0	0	0	0	110.4	V440 F441 I451 T455 F502 G507	V440-S453 WeakPolarHBondContact O-CB 3.12Å; V440-S453 PolarHBondContact O-OG 2.87Å; F441-S453 VanDerWaalsContact CD1-CB 3.48Å; I451-S453 PolarHBondContact O-N 3.24Å; S453-T455 PolarHBondContact O-N 2.65Å; S453-T455 VanDerWaalsContact O-N 3.11Å; S453-F502 WeakPolarHBondContact OG-CE2 3.34Å; S453-F502 WeakPolarHBondContact OG-CZ 3.34Å; S453-G507 PolarHBondContact N-O 2.94Å
454	N	72.2	Confident	77.2	Confident	80 Å²	80	49.3 Å²	49.3	43%	0.428	24%	0.239	S	C	.	.			trans	-73.1	100.9	173.3	-171.1	-17.3	0	0	0	110.5	V440 N456 V457	V440-N454 PolarHBondContact O-N 3.36Å; N454-N456 PolarHBondContact O-N 3.4Å; N454-N456 PolarHBondContact OD1-N 3.46Å; N454-N456 VanDerWaalsContact OD1-N 3.13Å; N454-V457 HydrophobicContact CB-CB 4.36Å; N454-V457 HydrophobicContact CB-CG2 3.87Å; N454-V457 WeakPolarHBondContact ND2-CG2 3.44Å; N454-V457 PolarHBondContact O-N 2.97Å; N454-V457 VanDerWaalsContact O-N 3.08Å
455	T	73.3	Confident	77.3	Confident	26 Å²	26	54.7 Å²	54.7	16%	0.16	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.7	-178.4	50.4	0	0	0	0	114	S453 K469 Y504	S453-T455 PolarHBondContact O-N 2.65Å; S453-T455 VanDerWaalsContact O-N 3.11Å; T455-K469 PolarHBondContact O-NZ 2.86Å; T455-Y504 WeakPolarHBondContact CB-O 3.49Å; T455-Y504 VanDerWaalsContact CG2-O 3.31Å; T455-Y504 WeakPolarHBondContact CG2-O 3.37Å
456	N	76.9	Confident	77.7	Confident	129 Å²	129	52.6 Å²	52.6	69%	0.69	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-15.3	-177.9	-64.6	-14.5	0	0	0	112.6	N454 K469	N454-N456 PolarHBondContact O-N 3.4Å; N454-N456 PolarHBondContact OD1-N 3.46Å; N454-N456 VanDerWaalsContact OD1-N 3.13Å; N456-K469 PolarHBondContact O-NZ 3.39Å
457	V	79.7	Confident	78	Confident	12 Å²	12	52.2 Å²	52.2	7%	0.073	26%	0.262	C	S	.	.	S	Bend	trans	-89	122.6	-177.5	176.6	0	0	0	0	110.2	N434 Q438 V440 N454	N434-V457 WeakPolarHBondContact ND2-CG1 3.5Å; Q438-V457 HydrophobicContact CB-CG1 3.7Å; Q438-V457 HydrophobicContact CB-CG2 4.19Å; V440-V457 HydrophobicContact CG2-CG1 4.02Å; N454-V457 HydrophobicContact CB-CB 4.36Å; N454-V457 HydrophobicContact CB-CG2 3.87Å; N454-V457 WeakPolarHBondContact ND2-CG2 3.44Å; N454-V457 PolarHBondContact O-N 2.97Å; N454-V457 VanDerWaalsContact O-N 3.08Å
458	P	84.4	Confident	77.6	Confident	23 Å²	23	58.4 Å²	58.4	15%	0.149	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-78.1	150.7	175.3	31.5	-32.3	0	0	0	111.2	N434 Y460 P466	N434-P458 PolarHBondContact ND2-O 3.49Å; P458-Y460 HydrophobicContact CG-CE2 3.88Å; P458-P466 HydrophobicContact CB-CB 4Å; P458-P466 HydrophobicContact CG-CB 3.98Å
459	L	86	Confident	77.5	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.021	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-79.2	150.5	159.8	-70.5	169.6	0	0	0	108.7	F373 F375 V440 D467 F475 W500 M523	F373-L459 HydrophobicContact CB-CD2 4.26Å; F375-L459 HydrophobicContact CD1-CB 4.2Å; F375-L459 HydrophobicContact CE1-CB 4.2Å; V440-L459 HydrophobicContact CG1-CD2 4.13Å; V440-L459 HydrophobicContact CG2-CD2 4.08Å; L459-D467 WeakPolarHBondContact O-CB 3.41Å; L459-D467 PolarHBondContact O-N 3.35Å; L459-F475 HydrophobicContact CD1-CE2 4.43Å; L459-F475 HydrophobicContact CD1-CZ 4.4Å; L459-W500 HydrophobicContact CD1-CH2 4.31Å; L459-M523 HydrophobicContact CD1-CE 3.96Å
460	Y	88.6	Confident	77.1	Confident	47 Å²	47	59.1 Å²	59.1	18%	0.184	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-111.9	148.2	178.7	-72.4	-112.7	0	0	0	109.7	A374 F375 N434 L435 P458 G464 M465 P466	A374-Y460 CarbonylContact C-O 3.57Å; A374-Y460 WeakPolarHBondContact CA-O 3.38Å; F375-Y460 WeakPolarHBondContact CD1-O 3.4Å; F375-Y460 WeakPolarHBondContact CE1-O 3.12Å; F375-Y460 PolarHBondContact N-O 3.15Å; N434-Y460 HydrophobicContact CB-CD2 3.83Å; N434-Y460 HydrophobicContact CB-CE2 4.26Å; N434-Y460 VanDerWaalsContact ND2-CE2 3.3Å; N434-Y460 WeakPolarHBondContact ND2-CE2 3.1Å; L435-Y460 HydrophobicContact CB-CD1 4.47Å; L435-Y460 HydrophobicContact CB-CG 4.14Å; P458-Y460 HydrophobicContact CG-CE2 3.88Å; Y460-G464 WeakPolarHBondContact CD1-O 3.4Å; Y460-M465 CarbonylContact C-O 3.45Å; Y460-M465 WeakPolarHBondContact CA-O 3.35Å; Y460-P466 HydrophobicContact CD1-CB 4.23Å; Y460-P466 HydrophobicContact CE1-CB 3.96Å; Y460-P466 HydrophobicContact CE1-CG 4.41Å; Y460-P466 HydrophobicContact CE2-CB 4.44Å
461	D	91.5	Very high	76.9	Confident	20 Å²	20	65.3 Å²	65.3	11%	0.107	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-78.1	170.4	166.5	69.8	17.1	0	0	0	111.4	F375 P377 L435 Y463 G464 M465	F375-D461 HydrophobicContact CD1-CB 4.49Å; F375-D461 HydrophobicContact CD2-CB 3.84Å; F375-D461 HydrophobicContact CE1-CB 4.14Å; F375-D461 HydrophobicContact CE2-CB 3.44Å; F375-D461 VanDerWaalsContact CE2-CB 3.44Å; F375-D461 HydrophobicContact CG-CB 4.34Å; F375-D461 HydrophobicContact CZ-CB 3.6Å; F375-D461 CarbonylContact O-C 3.52Å; F375-D461 WeakPolarHBondContact O-CA 3.15Å; P377-D461 HydrophobicContact CB-CB 4.08Å; L435-D461 WeakPolarHBondContact CD1-O 3.07Å; D461-Y463 PolarHBondContact O-N 3.34Å; D461-Y463 VanDerWaalsContact OD1-C 3.28Å; D461-Y463 VanDerWaalsContact OD1-CA 3.25Å; D461-Y463 WeakPolarHBondContact OD1-CA 3.44Å; D461-Y463 VanDerWaalsContact OD1-CB 3.3Å; D461-Y463 WeakPolarHBondContact OD1-CB 3.39Å; D461-Y463 PolarHBondContact OD1-N 3.4Å; D461-G464 PolarHBondContact O-N 3.07Å; D461-G464 PolarHBondContact OD1-N 3.42Å; D461-M465 PolarHBondContact N-O 3.35Å; D461-M465 PolarHBondContact OD1-N 3.21Å
462	L	89.1	Confident	77.2	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-2.3	174.9	-68.4	177.5	0	0	0	113.9	A374 F375 C395 T398 A399 H402 L403 F408 G464 C524	A374-L462 HydrophobicContact CB-CD2 3.65Å; A374-L462 HydrophobicContact CB-CG 4.34Å; F375-L462 PolarHBondContact O-N 3.2Å; C395-L462 WeakPolarHBondContact O-CD1 3.31Å; T398-L462 HydrophobicContact CG2-CB 3.71Å; T398-L462 HydrophobicContact CG2-CD1 4.1Å; A399-L462 HydrophobicContact CB-CD1 4.25Å; A399-L462 HydrophobicContact CB-CD2 3.86Å; H402-L462 WeakPolarHBondContact CB-O 3.33Å; L403-L462 HydrophobicContact CD1-CD2 4.07Å; L403-L462 WeakPolarHBondContact CG-O 3.43Å; F408-L462 HydrophobicContact CD1-CD2 4Å; F408-L462 HydrophobicContact CE1-CD2 4.1Å; F408-L462 HydrophobicContact CG-CD2 4.25Å; F408-L462 HydrophobicContact CZ-CD2 4.43Å; L462-G464 VanDerWaalsContact C-N 3.32Å; L462-C524 HydrophobicContact CD1-CB 4.26Å
463	Y	87.6	Confident	78.5	Confident	106 Å²	106	59 Å²	59	42%	0.416	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-3	165.9	-60.4	-22.4	0	0	0	112.1	P377 T398 H402 D461	P377-Y463 HydrophobicContact CB-CD1 4.4Å; P377-Y463 HydrophobicContact CB-CD2 3.52Å; P377-Y463 HydrophobicContact CB-CE1 4.32Å; P377-Y463 HydrophobicContact CB-CE2 3.45Å; P377-Y463 VanDerWaalsContact CB-CE2 3.45Å; P377-Y463 HydrophobicContact CB-CG 4.02Å; P377-Y463 HydrophobicContact CG-CD1 3.74Å; P377-Y463 HydrophobicContact CG-CD2 3.71Å; P377-Y463 HydrophobicContact CG-CE1 3.41Å; P377-Y463 VanDerWaalsContact CG-CE1 3.41Å; P377-Y463 HydrophobicContact CG-CE2 3.41Å; P377-Y463 VanDerWaalsContact CG-CE2 3.41Å; P377-Y463 HydrophobicContact CG-CG 3.88Å; T398-Y463 HydrophobicContact CG2-CD1 4.24Å; T398-Y463 HydrophobicContact CG2-CE1 3.82Å; H402-Y463 HydrophobicContact CB-CD1 3.96Å; H402-Y463 AromaticContact CD2-CD1 3.66Å; H402-Y463 AromaticContact CD2-CE1 3.39Å; H402-Y463 WeakPolarHBondContact CD2-CE1 3.32Å; H402-Y463 AromaticContact CE1-CD1 3.79Å; H402-Y463 AromaticContact CE1-CE1 3.47Å; H402-Y463 VanDerWaalsContact CE1-CE1 3.47Å; H402-Y463 WeakPolarHBondContact CE1-CE1 2.94Å; H402-Y463 AromaticContact CG-CD1 3.41Å; H402-Y463 VanDerWaalsContact CG-CD1 3.41Å; H402-Y463 AromaticContact CG-CE1 3.64Å; H402-Y463 AromaticContact ND1-CD1 3.51Å; H402-Y463 AromaticContact ND1-CE1 3.69Å; H402-Y463 AromaticContact NE2-CD1 3.92Å; H402-Y463 AromaticContact NE2-CE1 3.3Å; H402-Y463 VanDerWaalsContact NE2-CE1 3.3Å; H402-Y463 WeakPolarHBondContact NE2-CE1 3.19Å; D461-Y463 PolarHBondContact O-N 3.34Å; D461-Y463 VanDerWaalsContact OD1-C 3.28Å; D461-Y463 VanDerWaalsContact OD1-CA 3.25Å; D461-Y463 WeakPolarHBondContact OD1-CA 3.44Å; D461-Y463 VanDerWaalsContact OD1-CB 3.3Å; D461-Y463 WeakPolarHBondContact OD1-CB 3.39Å; D461-Y463 PolarHBondContact OD1-N 3.4Å
464	G	84.9	Confident	79.6	Confident	30 Å²	30	61.8 Å²	61.8	31%	0.309	33%	0.325	S	S	.	.	S	Bend	trans	83.3	12.3	-178.3	0	0	0	0	0	113.9	Y460 D461 L462	Y460-G464 WeakPolarHBondContact CD1-O 3.4Å; D461-G464 PolarHBondContact O-N 3.07Å; D461-G464 PolarHBondContact OD1-N 3.42Å; L462-G464 VanDerWaalsContact C-N 3.32Å
465	M	86.7	Confident	80.6	Confident	118 Å²	118	58 Å²	58	58%	0.581	31%	0.305	S	S	*	.			trans	-90.7	131.9	178.5	-59.7	-59.9	-68	0	0	110.7	Y460 D461	Y460-M465 CarbonylContact C-O 3.45Å; Y460-M465 WeakPolarHBondContact CA-O 3.35Å; D461-M465 PolarHBondContact N-O 3.35Å; D461-M465 PolarHBondContact OD1-N 3.21Å
466	P	86.4	Confident	81.6	Confident	47 Å²	47	56.8 Å²	56.8	31%	0.305	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-72.2	140.9	177.2	29.4	-33.7	0	0	0	111.2	P458 Y460 L468	P458-P466 HydrophobicContact CB-CB 4Å; P458-P466 HydrophobicContact CG-CB 3.98Å; Y460-P466 HydrophobicContact CD1-CB 4.23Å; Y460-P466 HydrophobicContact CE1-CB 3.96Å; Y460-P466 HydrophobicContact CE1-CG 4.41Å; Y460-P466 HydrophobicContact CE2-CB 4.44Å; P466-L468 HydrophobicContact CG-CD2 4.42Å; P466-L468 PolarHBondContact O-N 2.64Å; P466-L468 VanDerWaalsContact O-N 3.1Å
467	D	82	Confident	82	Confident	14 Å²	14	51.9 Å²	51.9	8%	0.075	27%	0.271	C	S	.	.			trans	-67.2	107.8	166.6	-175.6	16.7	0	0	0	108.8	F375 L459 K469 K473 Y504	F375-D467 HydrophobicContact CE1-CB 3.99Å; F375-D467 HydrophobicContact CZ-CB 4.1Å; L459-D467 WeakPolarHBondContact O-CB 3.41Å; L459-D467 PolarHBondContact O-N 3.35Å; D467-K469 WeakPolarHBondContact O-CG 3.46Å; D467-K469 PolarHBondContact O-N 3.21Å; D467-K469 PolarHBondContact OD1-N 3.5Å; D467-K473 VanDerWaalsContact CG-CE 3.4Å; D467-K473 WeakPolarHBondContact OD1-CE 3.25Å; D467-Y504 PolarHBondContact OD2-OH 3.07Å
468	L	70.7	Confident	81.7	Confident	139 Å²	139	51.3 Å²	51.3	73%	0.728	27%	0.268	S	S	*	.			trans	-68.8	9.2	-179.3	-62.6	176.4	0	0	0	113.3	P466 V470	P466-L468 HydrophobicContact CG-CD2 4.42Å; P466-L468 PolarHBondContact O-N 2.64Å; P466-L468 VanDerWaalsContact O-N 3.1Å; L468-V470 HydrophobicContact CB-CG2 3.9Å; L468-V470 PolarHBondContact O-N 3.14Å
469	K	68.8	Low	80.7	Confident	67 Å²	67	50.3 Å²	50.3	29%	0.291	26%	0.261	S	S	.	.	S	Bend	trans	60.3	16.9	174.8	-48.6	-179.9	-178.3	164.8	0	114.3	T455 N456 D467 H471 Y504	T455-K469 PolarHBondContact O-NZ 2.86Å; N456-K469 PolarHBondContact O-NZ 3.39Å; D467-K469 WeakPolarHBondContact O-CG 3.46Å; D467-K469 PolarHBondContact O-N 3.21Å; D467-K469 PolarHBondContact OD1-N 3.5Å; K469-H471 VanDerWaalsContact C-N 3.3Å; K469-H471 PolarHBondContact O-N 3.08Å; K469-Y504 HydrophobicContact CB-CD1 4.33Å; K469-Y504 HydrophobicContact CB-CD2 4.02Å; K469-Y504 HydrophobicContact CB-CE1 4.45Å; K469-Y504 HydrophobicContact CB-CE2 4.12Å; K469-Y504 HydrophobicContact CB-CG 4.13Å; K469-Y504 HydrophobicContact CD-CD1 3.44Å; K469-Y504 VanDerWaalsContact CD-CD1 3.44Å; K469-Y504 HydrophobicContact CD-CE1 3.77Å; K469-Y504 HydrophobicContact CD-CG 3.91Å; K469-Y504 HydrophobicContact CG-CD1 3.69Å; K469-Y504 HydrophobicContact CG-CD2 4.2Å; K469-Y504 HydrophobicContact CG-CE1 3.6Å; K469-Y504 HydrophobicContact CG-CE2 4.09Å; K469-Y504 HydrophobicContact CG-CG 4.01Å
470	V	53	Low	79.1	Confident	104 Å²	104	51.5 Å²	51.5	63%	0.63	28%	0.275	S	S	*	.	S	Bend	trans	-68.1	-34.1	-175.9	-173.5	0	0	0	0	110.9	L468	L468-V470 HydrophobicContact CB-CG2 3.9Å; L468-V470 PolarHBondContact O-N 3.14Å
471	H	58.5	Low	77.3	Confident	144 Å²	144	53.9 Å²	53.9	67%	0.667	30%	0.304	S	S	*	.	S	Bend	trans	-135.1	137.6	176.7	-56.4	-54.4	0	0	0	109.1	K469 K473	K469-H471 VanDerWaalsContact C-N 3.3Å; K469-H471 PolarHBondContact O-N 3.08Å; H471-K473 VanDerWaalsContact C-N 3.3Å; H471-K473 PolarHBondContact O-N 3.04Å
472	S	72.5	Confident	75.9	Confident	76 Å²	76	56 Å²	56	53%	0.531	32%	0.318	S	S	.	.			trans	-66	91	175.2	56.4	0	0	0	0	109.3	K474	S472-K474 PolarHBondContact O-N 2.76Å
473	K	87.8	Confident	75	Confident	42 Å²	42	57 Å²	57	18%	0.183	32%	0.322	C	S	.	.			trans	-56.6	138.3	175.4	-68.5	-176.3	-172.8	-74.7	0	109.3	F375 D467 H471 F475 S501 Y521	F375-K473 HydrophobicContact CE1-CD 4.5Å; F375-K473 HydrophobicContact CE2-CD 3.95Å; F375-K473 HydrophobicContact CZ-CD 3.95Å; D467-K473 VanDerWaalsContact CG-CE 3.4Å; D467-K473 WeakPolarHBondContact OD1-CE 3.25Å; H471-K473 VanDerWaalsContact C-N 3.3Å; H471-K473 PolarHBondContact O-N 3.04Å; K473-F475 HydrophobicContact CB-CE2 4.14Å; K473-F475 HydrophobicContact CB-CZ 3.89Å; K473-S501 VanDerWaalsContact O-CB 3.32Å; K473-S501 WeakPolarHBondContact O-CB 3.48Å; K473-Y521 HydrophobicContact CB-CD2 4.2Å; K473-Y521 HydrophobicContact CB-CE2 4.42Å; K473-Y521 HydrophobicContact CD-CD2 4.34Å; K473-Y521 HydrophobicContact CD-CE1 4.48Å; K473-Y521 HydrophobicContact CD-CE2 4.17Å; K473-Y521 HydrophobicContact CG-CD2 4.27Å; K473-Y521 HydrophobicContact CG-CE2 4.03Å; K473-Y521 VanDerWaalsContact NZ-CZ 3.35Å; K473-Y521 PolarHBondContact NZ-OH 2.83Å
474	K	91.2	Very high	74.7	Confident	70 Å²	70	52.2 Å²	52.2	30%	0.304	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	140.4	175.4	-62.3	-177.8	-175.6	171.2	0	108.1	S472 W500 E514 N520 Y521	S472-K474 PolarHBondContact O-N 2.76Å; K474-W500 CarbonylContact C-O 3.54Å; K474-W500 WeakPolarHBondContact CA-O 3.41Å; K474-E514 WeakPolarHBondContact CD-OE1 3.19Å; K474-E514 VanDerWaalsContact CE-OE1 3.26Å; K474-E514 WeakPolarHBondContact CE-OE1 3.39Å; K474-E514 IonicContact NZ-OE1 3.24Å; K474-E514 PolarHBondContact NZ-OE1 2.9Å; K474-N520 WeakPolarHBondContact CB-OD1 3.28Å; K474-Y521 PolarHBondContact O-N 3.27Å
475	F	93	Very high	74.8	Confident	1 Å²	1	50.8 Å²	50.8	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.5	-175.7	-58.5	-80.7	0	0	0	109.1	F375 L459 K473 L477 T499 W500 Y521 M523	F375-F475 HydrophobicContact CB-CD1 4.16Å; F375-F475 HydrophobicContact CB-CE1 3.42Å; F375-F475 VanDerWaalsContact CB-CE1 3.42Å; F375-F475 HydrophobicContact CB-CZ 4.28Å; F375-F475 HydrophobicContact CD1-CE1 4.26Å; F375-F475 HydrophobicContact CD1-CZ 4.36Å; F375-F475 HydrophobicContact CD2-CE1 4.35Å; F375-F475 AromaticContact CG-CE1 3.79Å; F375-F475 HydrophobicContact CG-CE1 3.79Å; F375-F475 HydrophobicContact CG-CZ 4.32Å; L459-F475 HydrophobicContact CD1-CE2 4.43Å; L459-F475 HydrophobicContact CD1-CZ 4.4Å; K473-F475 HydrophobicContact CB-CE2 4.14Å; K473-F475 HydrophobicContact CB-CZ 3.89Å; F475-L477 PolarHBondContact O-N 2.73Å; F475-T499 CarbonylContact O-C 3.57Å; F475-T499 WeakPolarHBondContact O-CA 3.39Å; F475-T499 WeakPolarHBondContact O-CB 3.49Å; F475-W500 HydrophobicContact CB-CD2 4.27Å; F475-W500 HydrophobicContact CB-CG 4.25Å; F475-W500 HydrophobicContact CB-CZ2 4.34Å; F475-W500 VanDerWaalsContact CB-NE1 3.34Å; F475-W500 AromaticContact CD2-CD2 3.97Å; F475-W500 HydrophobicContact CD2-CD2 3.97Å; F475-W500 AromaticContact CD2-CE2 3.69Å; F475-W500 HydrophobicContact CD2-CE3 4.15Å; F475-W500 AromaticContact CD2-CH2 3.92Å; F475-W500 HydrophobicContact CD2-CH2 3.92Å; F475-W500 AromaticContact CD2-CZ2 3.68Å; F475-W500 HydrophobicContact CD2-CZ2 3.68Å; F475-W500 HydrophobicContact CD2-CZ3 4.15Å; F475-W500 HydrophobicContact CE2-CH2 4.09Å; F475-W500 HydrophobicContact CE2-CZ2 4.22Å; F475-W500 HydrophobicContact CE2-CZ3 4.37Å; F475-W500 AromaticContact CG-CE2 3.93Å; F475-W500 HydrophobicContact CG-CZ2 4.04Å; F475-W500 AromaticContact CG-NE1 4Å; F475-W500 PolarHBondContact N-O 3.16Å; F475-W500 PolarHBondContact O-N 3.02Å; F475-Y521 CarbonylContact C-O 3.57Å; F475-Y521 WeakPolarHBondContact CA-O 3.14Å; F475-Y521 VanDerWaalsContact CD1-CB 3.46Å; F475-Y521 HydrophobicContact CE1-CG 4.36Å; F475-M523 HydrophobicContact CB-CB 4.5Å; F475-M523 HydrophobicContact CD1-CB 4.3Å; F475-M523 HydrophobicContact CD1-CE 3.92Å; F475-M523 HydrophobicContact CD2-CE 4.28Å; F475-M523 HydrophobicContact CE1-CE 3.69Å; F475-M523 HydrophobicContact CE2-CE 4.04Å; F475-M523 HydrophobicContact CG-CB 4.48Å; F475-M523 HydrophobicContact CG-CE 4.23Å; F475-M523 HydrophobicContact CZ-CE 3.74Å
476	W	93.5	Very high	74.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	132	168.3	-70	121.2	0	0	0	109.8	L380 L412 W488 T499 E514 K515 S518 N520 Y521 L522	L380-W476 PolarHBondContact O-NE1 3.02Å; L412-W476 HydrophobicContact CD1-CB 3.65Å; W476-W488 HydrophobicContact CB-CH2 3.98Å; W476-W488 HydrophobicContact CB-CZ3 4.11Å; W476-W488 HydrophobicContact CD2-CH2 4.37Å; W476-W488 AromaticContact CD2-CZ3 3.88Å; W476-W488 HydrophobicContact CD2-CZ3 3.88Å; W476-W488 HydrophobicContact CE3-CH2 4.01Å; W476-W488 AromaticContact CE3-CZ3 3.71Å; W476-W488 HydrophobicContact CE3-CZ3 3.71Å; W476-W488 HydrophobicContact CG-CH2 4.41Å; W476-W488 HydrophobicContact CG-CZ3 4.08Å; W476-W488 HydrophobicContact CZ3-CZ3 4.44Å; W476-T499 HydrophobicContact CD2-CG2 4.14Å; W476-T499 HydrophobicContact CE3-CG2 3.39Å; W476-T499 HydrophobicContact CH2-CG2 4.24Å; W476-T499 HydrophobicContact CZ3-CG2 3.44Å; W476-T499 VanDerWaalsContact CZ3-CG2 3.44Å; W476-E514 HydrophobicContact CH2-CB 4.01Å; W476-E514 HydrophobicContact CZ3-CB 4.13Å; W476-K515 WeakPolarHBondContact CH2-O 3.08Å; W476-S518 VanDerWaalsContact CZ2-O 3.28Å; W476-S518 WeakPolarHBondContact CZ2-O 3.47Å; W476-N520 HydrophobicContact CD2-CB 4.01Å; W476-N520 HydrophobicContact CG-CB 4.08Å; W476-N520 WeakPolarHBondContact CH2-ND2 3.29Å; W476-N520 HydrophobicContact CZ2-CB 4.25Å; W476-N520 WeakPolarHBondContact CZ2-ND2 3.48Å; W476-Y521 PolarHBondContact N-O 3.2Å; W476-L522 HydrophobicContact CB-CD2 4.22Å
477	L	85.1	Confident	74.8	Confident	25 Å²	25	50.5 Å²	50.5	13%	0.131	29%	0.286	C	S	.	.			trans	-115.9	-51.1	175.1	-173.8	60.6	0	0	0	110.9	L412 V413 F475 L498 I511	L412-L477 CarbonylContact C-O 3.59Å; V413-L477 WeakPolarHBondContact CA-O 3.2Å; V413-L477 WeakPolarHBondContact CB-O 3.47Å; V413-L477 HydrophobicContact CG2-CD1 4.41Å; V413-L477 PolarHBondContact N-O 2.85Å; F475-L477 PolarHBondContact O-N 2.73Å; L477-L498 PolarHBondContact N-O 2.93Å; L477-I511 HydrophobicContact CD2-CD1 3.84Å
478	G	73.3	Confident	75.2	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.282	C	S	.	.			trans	84.5	161.6	-169.5	0	0	0	0	0	114.6	F483 W488 L498	G478-F483 CarbonylContact C-O 3.32Å; G478-F483 VanDerWaalsContact CA-O 3.28Å; G478-F483 WeakPolarHBondContact CA-O 3.12Å; G478-W488 VanDerWaalsContact N-CZ2 3.35Å; G478-L498 PolarHBondContact N-O 3.18Å
479	G	63.6	Low	76.2	Confident	2 Å²	2	47.5 Å²	47.5	2%	0.021	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	178.8	138.4	170.6	0	0	0	0	0	116.8	Y155 F483	Y155-G479 VanDerWaalsContact CZ-C 3.41Å; Y155-G479 WeakPolarHBondContact OH-CA 3.33Å; G479-F483 PolarHBondContact N-O 3.33Å; G479-F483 CarbonylContact O-C 3.6Å; G479-F483 WeakPolarHBondContact O-CA 3.41Å; G479-F483 WeakPolarHBondContact O-CB 3.36Å; G479-F483 PolarHBondContact O-N 3.3Å
480	G	52.7	Low	77.2	Confident	30 Å²	30	45.7 Å²	45.7	31%	0.309	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	-168.9	176.9	0	0	0	0	0	112.7	Y155 T482	Y155-G480 VanDerWaalsContact CE2-CA 3.49Å; Y155-G480 PolarHBondContact OH-N 3.46Å; G480-T482 VanDerWaalsContact C-N 3.25Å; G480-T482 PolarHBondContact O-N 2.98Å
481	A	51.2	Low	79.1	Confident	96 Å²	96	45.3 Å²	45.3	79%	0.793	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-12.4	-179.4	0	0	0	0	0	113.6
482	T	62.4	Low	80.7	Confident	64 Å²	64	40.2 Å²	40.2	39%	0.393	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.8	-10.8	-167	54.6	0	0	0	0	115.4	G480	G480-T482 VanDerWaalsContact C-N 3.25Å; G480-T482 PolarHBondContact O-N 2.98Å
483	F	70.7	Confident	81.4	Confident	21 Å²	21	39.4 Å²	39.4	9%	0.092	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-116.6	44.9	-177	-50.2	-77.4	0	0	0	112.5	L152 G478 G479 F496 G497 L498	L152-F483 HydrophobicContact CB-CE2 4.09Å; L152-F483 HydrophobicContact CB-CZ 3.74Å; L152-F483 HydrophobicContact CD1-CD1 4.23Å; L152-F483 HydrophobicContact CD1-CE1 3.45Å; L152-F483 VanDerWaalsContact CD1-CE1 3.45Å; L152-F483 HydrophobicContact CD1-CE2 3.94Å; L152-F483 HydrophobicContact CD1-CZ 3.3Å; L152-F483 HydrophobicContact CG-CE2 4.33Å; L152-F483 HydrophobicContact CG-CZ 3.99Å; G478-F483 CarbonylContact C-O 3.32Å; G478-F483 VanDerWaalsContact CA-O 3.28Å; G478-F483 WeakPolarHBondContact CA-O 3.12Å; G479-F483 PolarHBondContact N-O 3.33Å; G479-F483 CarbonylContact O-C 3.6Å; G479-F483 WeakPolarHBondContact O-CA 3.41Å; G479-F483 WeakPolarHBondContact O-CB 3.36Å; G479-F483 PolarHBondContact O-N 3.3Å; F483-F496 CarbonylContact C-O 3.42Å; F483-F496 WeakPolarHBondContact CA-O 3.28Å; F483-F496 HydrophobicContact CD1-CB 4.44Å; F483-G497 WeakPolarHBondContact O-CA 3.47Å; F483-L498 HydrophobicContact CB-CD1 4.34Å; F483-L498 HydrophobicContact CB-CG 3.79Å; F483-L498 HydrophobicContact CG-CG 4.44Å; F483-L498 PolarHBondContact O-N 2.87Å
484	G	80	Confident	81.4	Confident	6 Å²	6	42 Å²	42	6%	0.062	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-134.6	33.9	175.8	0	0	0	0	0	112	D486 E487 W488	G484-D486 VanDerWaalsContact C-N 3.35Å; G484-D486 PolarHBondContact O-N 2.89Å; G484-E487 CarbonylContact O-C 3.54Å; G484-E487 PolarHBondContact O-N 3.12Å; G484-W488 PolarHBondContact O-N 3.46Å
485	C	88	Confident	81.2	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.007	26%	0.26	C	S	.	.	H	α-helix	trans	46.4	53.5	175.7	-65.1	0	0	0	0	114.1	W488 T489 T490 F496 C516	C485-W488 HydrophobicContact CB-CE3 3.8Å; C485-W488 HydrophobicContact CB-CZ3 4.24Å; C485-W488 CarbonylContact O-C 3.54Å; C485-W488 VanDerWaalsContact O-CA 3.28Å; C485-W488 WeakPolarHBondContact O-CA 3.28Å; C485-W488 PolarHBondContact O-N 3.37Å; C485-T489 PolarHBondContact O-N 3.49Å; C485-T490 HydrophobicContact CB-CG2 4.32Å; C485-T490 WeakPolarHBondContact O-CG2 3.41Å; C485-T490 PolarHBondContact O-N 3.12Å; C485-F496 PolarHBondContact N-O 2.03Å; C485-C516 WeakPolarHBondContact CA-SG 3.37Å; C485-C516 HydrophobicContact CB-CB 3.78Å; C485-C516 WeakPolarHBondContact CB-SG 3.39Å; C485-C516 VanDerWaalsContact SG-CA 3.54Å; C485-C516 WeakPolarHBondContact SG-CB 3.3Å; C485-C516 CovalentContact SG-SG 2.03Å; C485-C516 PolarHBondContact SG-SG 2.89Å
486	D	86.4	Confident	80.7	Confident	70 Å²	70	45 Å²	45	37%	0.374	27%	0.271	S	S	.	.	H	α-helix	trans	48.5	60.8	-174.5	-64.7	-21.1	0	0	0	112.1	G484 W488 T489 T490 K495	G484-D486 VanDerWaalsContact C-N 3.35Å; G484-D486 PolarHBondContact O-N 2.89Å; D486-W488 PolarHBondContact O-N 2.99Å; D486-T489 WeakPolarHBondContact O-CB 3.47Å; D486-T489 PolarHBondContact O-N 3.41Å; D486-T489 PolarHBondContact O-OG1 3.06Å; D486-T490 HydrophobicContact CB-CG2 3.84Å; D486-K495 IonicContact OD1-NZ 2.71Å; D486-K495 PolarHBondContact OD1-NZ 2.88Å; D486-K495 WeakPolarHBondContact OD2-CE 3.22Å; D486-K495 IonicContact OD2-NZ 2.75Å; D486-K495 PolarHBondContact OD2-NZ 3.49Å
487	E	85.9	Confident	80.1	Confident	88 Å²	88	45 Å²	45	41%	0.411	27%	0.271	S	S	.	.	H	α-helix	trans	57.9	31.2	-176	-50.7	-173.6	173.5	0	0	112.7	G387 G484 T489	G387-E487 WeakPolarHBondContact CA-O 3.39Å; G484-E487 CarbonylContact O-C 3.54Å; G484-E487 PolarHBondContact O-N 3.12Å; E487-T489 VanDerWaalsContact C-N 3.32Å; E487-T489 PolarHBondContact O-N 3.44Å
488	W	91.4	Very high	80	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	63.7	33.1	-179.8	-48.3	101.7	0	0	0	114.6	G382 F385 G387 L412 V413 W476 G478 G484 C485 D486	G382-W488 CarbonylContact O-C 3.34Å; G382-W488 WeakPolarHBondContact O-CA 3.49Å; G382-W488 WeakPolarHBondContact O-CB 3.41Å; F385-W488 HydrophobicContact CD2-CB 4.32Å; F385-W488 HydrophobicContact CE2-CB 3.36Å; F385-W488 HydrophobicContact CE2-CD2 4.3Å; F385-W488 HydrophobicContact CE2-CE3 4.49Å; F385-W488 AromaticContact CE2-CG 3.87Å; F385-W488 HydrophobicContact CE2-CG 3.87Å; F385-W488 HydrophobicContact CZ-CB 3.79Å; F385-W488 HydrophobicContact CZ-CD2 4.02Å; F385-W488 AromaticContact CZ-CE3 3.8Å; F385-W488 HydrophobicContact CZ-CE3 3.8Å; F385-W488 HydrophobicContact CZ-CG 4.08Å; G387-W488 WeakPolarHBondContact CA-O 3.41Å; G387-W488 PolarHBondContact N-O 3.07Å; L412-W488 HydrophobicContact CD1-CD2 4.17Å; L412-W488 HydrophobicContact CD1-CE3 4.46Å; L412-W488 HydrophobicContact CD1-CH2 3.65Å; L412-W488 HydrophobicContact CD1-CZ2 3.24Å; L412-W488 HydrophobicContact CD1-CZ3 4.26Å; L412-W488 HydrophobicContact CD2-CB 4.44Å; L412-W488 HydrophobicContact CD2-CD2 3.81Å; L412-W488 HydrophobicContact CD2-CG 3.71Å; L412-W488 HydrophobicContact CD2-CZ2 4.22Å; L412-W488 HydrophobicContact CG-CD2 4.12Å; L412-W488 VanDerWaalsContact CG-CE2 3.46Å; L412-W488 HydrophobicContact CG-CG 4.39Å; L412-W488 HydrophobicContact CG-CH2 4.44Å; L412-W488 HydrophobicContact CG-CZ2 3.59Å; V413-W488 PolarHBondContact O-NE1 3.45Å; W476-W488 HydrophobicContact CB-CH2 3.98Å; W476-W488 HydrophobicContact CB-CZ3 4.11Å; W476-W488 HydrophobicContact CD2-CH2 4.37Å; W476-W488 AromaticContact CD2-CZ3 3.88Å; W476-W488 HydrophobicContact CD2-CZ3 3.88Å; W476-W488 HydrophobicContact CE3-CH2 4.01Å; W476-W488 AromaticContact CE3-CZ3 3.71Å; W476-W488 HydrophobicContact CE3-CZ3 3.71Å; W476-W488 HydrophobicContact CG-CH2 4.41Å; W476-W488 HydrophobicContact CG-CZ3 4.08Å; W476-W488 HydrophobicContact CZ3-CZ3 4.44Å; G478-W488 VanDerWaalsContact N-CZ2 3.35Å; G484-W488 PolarHBondContact O-N 3.46Å; C485-W488 HydrophobicContact CB-CE3 3.8Å; C485-W488 HydrophobicContact CB-CZ3 4.24Å; C485-W488 CarbonylContact O-C 3.54Å; C485-W488 VanDerWaalsContact O-CA 3.28Å; C485-W488 WeakPolarHBondContact O-CA 3.28Å; C485-W488 PolarHBondContact O-N 3.37Å; D486-W488 PolarHBondContact O-N 2.99Å
489	T	91	Very high	80.6	Confident	91 Å²	91	44.5 Å²	44.5	56%	0.558	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	-12	179.6	66.2	0	0	0	0	113.1	C485 D486 E487	C485-T489 PolarHBondContact O-N 3.49Å; D486-T489 WeakPolarHBondContact O-CB 3.47Å; D486-T489 PolarHBondContact O-N 3.41Å; D486-T489 PolarHBondContact O-OG1 3.06Å; E487-T489 VanDerWaalsContact C-N 3.32Å; E487-T489 PolarHBondContact O-N 3.44Å
490	T	90.8	Very high	81.6	Confident	28 Å²	28	44.4 Å²	44.4	17%	0.172	27%	0.267	C	S	.	.			trans	-117.7	142.1	-179.6	-163.5	0	0	0	0	112.8	G382 G383 C485 D486 S492 K495 C516	G382-T490 CarbonylContact C-O 3.5Å; G383-T490 VanDerWaalsContact CA-C 3.44Å; G383-T490 VanDerWaalsContact CA-O 3.3Å; G383-T490 WeakPolarHBondContact CA-O 2.93Å; G383-T490 PolarHBondContact N-O 2.93Å; C485-T490 HydrophobicContact CB-CG2 4.32Å; C485-T490 WeakPolarHBondContact O-CG2 3.41Å; C485-T490 PolarHBondContact O-N 3.12Å; D486-T490 HydrophobicContact CB-CG2 3.84Å; T490-S492 WeakPolarHBondContact OG1-CB 3.22Å; T490-S492 PolarHBondContact OG1-N 2.8Å; T490-S492 VanDerWaalsContact OG1-N 3.17Å; T490-K495 HydrophobicContact CG2-CB 3.91Å; T490-K495 HydrophobicContact CG2-CG 3.86Å; T490-C516 WeakPolarHBondContact O-CB 3.31Å
491	D	91.8	Very high	83.1	Confident	96 Å²	96	43.4 Å²	43.4	51%	0.513	26%	0.256	S	S	.	.			trans	-105.3	17.1	167.9	60.2	-8.5	0	0	0	111.5	S493 D517	D491-S493 PolarHBondContact O-N 3.44Å; D491-D517 WeakPolarHBondContact O-CA 3.47Å; D491-D517 VanDerWaalsContact O-CB 3.31Å; D491-D517 WeakPolarHBondContact O-CB 3.37Å; D491-D517 PolarHBondContact O-N 3.06Å
492	S	91.3	Very high	84.5	Confident	38 Å²	38	39.2 Å²	39.2	27%	0.266	22%	0.219	S	C	.	.			trans	-62.1	129.5	-178.9	-176.5	0	0	0	0	112.2	T490 T494 K495 C516	T490-S492 WeakPolarHBondContact OG1-CB 3.22Å; T490-S492 PolarHBondContact OG1-N 2.8Å; T490-S492 VanDerWaalsContact OG1-N 3.17Å; S492-T494 PolarHBondContact O-N 3.45Å; S492-T494 PolarHBondContact OG-N 2.96Å; S492-T494 PolarHBondContact OG-OG1 3.43Å; S492-K495 PolarHBondContact O-N 3.4Å; S492-C516 WeakPolarHBondContact O-CB 3.3Å
493	S	89	Confident	85	Confident	59 Å²	59	37.5 Å²	37.5	41%	0.413	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-10.8	172.8	66.1	0	0	0	0	114.5	D491 D517	D491-S493 PolarHBondContact O-N 3.44Å; S493-D517 WeakPolarHBondContact CB-OD2 3.43Å
494	T	86.8	Confident	85	Confident	96 Å²	96	38.1 Å²	38.1	59%	0.589	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-10.5	177.1	69.3	0	0	0	0	113.6	S492	S492-T494 PolarHBondContact O-N 3.45Å; S492-T494 PolarHBondContact OG-N 2.96Å; S492-T494 PolarHBondContact OG-OG1 3.43Å
495	K	86.9	Confident	84.4	Confident	80 Å²	80	48.8 Å²	48.8	35%	0.348	25%	0.248	S	C	.	.	S	Bend	trans	-108.8	156.3	-178.8	-63.7	-74.9	-176.9	135.1	0	109.3	D486 T490 S492 K515 C516	D486-K495 IonicContact OD1-NZ 2.71Å; D486-K495 PolarHBondContact OD1-NZ 2.88Å; D486-K495 WeakPolarHBondContact OD2-CE 3.22Å; D486-K495 IonicContact OD2-NZ 2.75Å; D486-K495 PolarHBondContact OD2-NZ 3.49Å; T490-K495 HydrophobicContact CG2-CB 3.91Å; T490-K495 HydrophobicContact CG2-CG 3.86Å; S492-K495 PolarHBondContact O-N 3.4Å; K495-K515 WeakPolarHBondContact O-CA 3.3Å; K495-C516 HydrophobicContact CB-CB 4.33Å; K495-C516 VanDerWaalsContact CB-SG 3.57Å; K495-C516 PolarHBondContact O-N 3.03Å; K495-C516 PolarHBondContact O-SG 3.07Å; K495-C516 VanDerWaalsContact O-SG 3.33Å
496	F	83.2	Confident	83.4	Confident	53 Å²	53	51.7 Å²	51.7	23%	0.232	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147.7	-176	-64.1	-93.4	0	0	0	111.3	L142 F483 C485 Y513 E514 K515 C516	L142-F496 HydrophobicContact CD2-CE1 4.34Å; L142-F496 HydrophobicContact CD2-CZ 4.29Å; F483-F496 CarbonylContact C-O 3.42Å; F483-F496 WeakPolarHBondContact CA-O 3.28Å; F483-F496 HydrophobicContact CD1-CB 4.44Å; C485-F496 PolarHBondContact N-O 2.03Å; F496-Y513 HydrophobicContact CD1-CD2 4.09Å; F496-Y513 HydrophobicContact CE1-CD2 4.4Å; F496-E514 CarbonylContact C-O 3.59Å; F496-E514 VanDerWaalsContact CA-O 3.22Å; F496-E514 WeakPolarHBondContact CA-O 3Å; F496-K515 HydrophobicContact CD1-CG 4.13Å; F496-K515 HydrophobicContact CE1-CG 3.57Å; F496-K515 HydrophobicContact CZ-CG 4.11Å; F496-C516 PolarHBondContact N-SG 3.26Å
497	G	80.7	Confident	82.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	151.5	170.7	0	0	0	0	0	110.2	F483 Y513 E514	F483-G497 WeakPolarHBondContact O-CA 3.47Å; G497-Y513 CarbonylContact O-C 3.56Å; G497-Y513 WeakPolarHBondContact O-CA 3.09Å; G497-E514 PolarHBondContact N-O 2.99Å; G497-E514 PolarHBondContact O-N 2.95Å
498	L	82.4	Confident	81.7	Confident	14 Å²	14	47.5 Å²	47.5	7%	0.073	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	138.3	168.7	-70.1	177.6	0	0	0	110.7	Y155 L477 G478 F483 I511 N512	Y155-L498 HydrophobicContact CD1-CD1 4.03Å; Y155-L498 HydrophobicContact CE1-CD1 3.39Å; L477-L498 PolarHBondContact N-O 2.93Å; G478-L498 PolarHBondContact N-O 3.18Å; F483-L498 HydrophobicContact CB-CD1 4.34Å; F483-L498 HydrophobicContact CB-CG 3.79Å; F483-L498 HydrophobicContact CG-CG 4.44Å; F483-L498 PolarHBondContact O-N 2.87Å; L498-I511 HydrophobicContact CD2-CG2 4.3Å; L498-N512 WeakPolarHBondContact CA-O 3.3Å; L498-N512 WeakPolarHBondContact CD2-O 3.38Å
499	T	85.5	Confident	80.6	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	158.1	170.7	60.3	0	0	0	0	110	F475 W476 I511 N512 E514	F475-T499 CarbonylContact O-C 3.57Å; F475-T499 WeakPolarHBondContact O-CA 3.39Å; F475-T499 WeakPolarHBondContact O-CB 3.49Å; W476-T499 HydrophobicContact CD2-CG2 4.14Å; W476-T499 HydrophobicContact CE3-CG2 3.39Å; W476-T499 HydrophobicContact CH2-CG2 4.24Å; W476-T499 HydrophobicContact CZ3-CG2 3.44Å; W476-T499 VanDerWaalsContact CZ3-CG2 3.44Å; T499-I511 WeakPolarHBondContact O-CA 3.39Å; T499-N512 PolarHBondContact N-O 3.14Å; T499-N512 PolarHBondContact O-N 3.21Å; T499-N512 VanDerWaalsContact O-O 3.1Å; T499-E514 HydrophobicContact CG2-CB 3.97Å; T499-E514 HydrophobicContact CG2-CG 3.84Å
500	W	85.7	Confident	79.7	Confident	1 Å²	1	48 Å²	48	0%	0.004	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151.2	166.6	75.7	-84.9	0	0	0	110.9	F447 L459 K474 F475 F502 V509 K510 I511 M523	F447-W500 AromaticContact CE2-CD2 3.94Å; F447-W500 HydrophobicContact CE2-CD2 3.94Å; F447-W500 AromaticContact CE2-CE2 3.82Å; F447-W500 AromaticContact CE2-CE3 3.95Å; F447-W500 HydrophobicContact CE2-CE3 3.95Å; F447-W500 AromaticContact CE2-CH2 3.71Å; F447-W500 HydrophobicContact CE2-CH2 3.71Å; F447-W500 AromaticContact CE2-CZ2 3.71Å; F447-W500 HydrophobicContact CE2-CZ2 3.71Å; F447-W500 AromaticContact CE2-CZ3 3.83Å; F447-W500 HydrophobicContact CE2-CZ3 3.83Å; F447-W500 HydrophobicContact CZ-CD2 4.25Å; F447-W500 AromaticContact CZ-CE2 3.94Å; F447-W500 HydrophobicContact CZ-CZ2 4.09Å; L459-W500 HydrophobicContact CD1-CH2 4.31Å; K474-W500 CarbonylContact C-O 3.54Å; K474-W500 WeakPolarHBondContact CA-O 3.41Å; F475-W500 HydrophobicContact CB-CD2 4.27Å; F475-W500 HydrophobicContact CB-CG 4.25Å; F475-W500 HydrophobicContact CB-CZ2 4.34Å; F475-W500 VanDerWaalsContact CB-NE1 3.34Å; F475-W500 AromaticContact CD2-CD2 3.97Å; F475-W500 HydrophobicContact CD2-CD2 3.97Å; F475-W500 AromaticContact CD2-CE2 3.69Å; F475-W500 HydrophobicContact CD2-CE3 4.15Å; F475-W500 AromaticContact CD2-CH2 3.92Å; F475-W500 HydrophobicContact CD2-CH2 3.92Å; F475-W500 AromaticContact CD2-CZ2 3.68Å; F475-W500 HydrophobicContact CD2-CZ2 3.68Å; F475-W500 HydrophobicContact CD2-CZ3 4.15Å; F475-W500 HydrophobicContact CE2-CH2 4.09Å; F475-W500 HydrophobicContact CE2-CZ2 4.22Å; F475-W500 HydrophobicContact CE2-CZ3 4.37Å; F475-W500 AromaticContact CG-CE2 3.93Å; F475-W500 HydrophobicContact CG-CZ2 4.04Å; F475-W500 AromaticContact CG-NE1 4Å; F475-W500 PolarHBondContact N-O 3.16Å; F475-W500 PolarHBondContact O-N 3.02Å; W500-F502 HydrophobicContact CZ3-CB 4.2Å; W500-V509 HydrophobicContact CB-CG1 4.11Å; W500-V509 HydrophobicContact CD2-CG1 4.27Å; W500-V509 HydrophobicContact CE3-CG1 3.67Å; W500-V509 HydrophobicContact CE3-CG2 4.4Å; W500-V509 HydrophobicContact CZ3-CG1 4.43Å; W500-V509 HydrophobicContact CZ3-CG2 4.36Å; W500-K510 CarbonylContact C-O 3.48Å; W500-K510 WeakPolarHBondContact CA-O 3.18Å; W500-I511 HydrophobicContact CB-CD1 3.47Å; W500-I511 VanDerWaalsContact CB-CD1 3.47Å; W500-M523 HydrophobicContact CH2-CE 3.8Å; W500-M523 HydrophobicContact CZ2-CB 4.12Å; W500-M523 HydrophobicContact CZ2-CE 3.47Å; W500-M523 VanDerWaalsContact CZ2-CE 3.47Å; W500-M523 HydrophobicContact CZ2-CG 3.94Å; W500-M523 HydrophobicContact CZ2-SD 4.44Å
501	S	84.8	Confident	78.8	Confident	9 Å²	9	50.8 Å²	50.8	6%	0.063	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	157.1	173.5	63.6	0	0	0	0	110.4	K473 V509 K510	K473-S501 VanDerWaalsContact O-CB 3.32Å; K473-S501 WeakPolarHBondContact O-CB 3.48Å; S501-V509 CarbonylContact O-C 3.59Å; S501-V509 WeakPolarHBondContact O-CA 3.32Å; S501-K510 PolarHBondContact N-O 3.48Å; S501-K510 PolarHBondContact O-N 2.78Å
502	F	79	Confident	77.9	Confident	7 Å²	7	49.4 Å²	49.4	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	119.5	175.4	-172.1	-106.8	0	0	0	109.8	F441 S453 W500 Y504 G507 V509	F441-F502 HydrophobicContact CE1-CE2 4.39Å; F441-F502 HydrophobicContact CZ-CD2 4.14Å; F441-F502 HydrophobicContact CZ-CE2 4.14Å; S453-F502 WeakPolarHBondContact OG-CE2 3.34Å; S453-F502 WeakPolarHBondContact OG-CZ 3.34Å; W500-F502 HydrophobicContact CZ3-CB 4.2Å; F502-Y504 AromaticContact CD1-CD1 3.37Å; F502-Y504 HydrophobicContact CD1-CD1 3.37Å; F502-Y504 HydrophobicContact CD1-CD2 4.3Å; F502-Y504 AromaticContact CD1-CE1 3.41Å; F502-Y504 HydrophobicContact CD1-CE1 3.41Å; F502-Y504 VanDerWaalsContact CD1-CE1 3.41Å; F502-Y504 HydrophobicContact CD1-CE2 4.36Å; F502-Y504 AromaticContact CD1-CG 3.83Å; F502-Y504 HydrophobicContact CD1-CG 3.83Å; F502-Y504 AromaticContact CD1-CZ 3.94Å; F502-Y504 AromaticContact CE1-CD1 3.5Å; F502-Y504 HydrophobicContact CE1-CD1 3.5Å; F502-Y504 VanDerWaalsContact CE1-CD1 3.5Å; F502-Y504 AromaticContact CE1-CE1 3.85Å; F502-Y504 HydrophobicContact CE1-CE1 3.85Å; F502-Y504 HydrophobicContact CE1-CG 4.15Å; F502-Y504 PolarHBondContact O-N 2.75Å; F502-G507 VanDerWaalsContact CE2-C 3.47Å; F502-G507 VanDerWaalsContact CE2-O 3.26Å; F502-G507 WeakPolarHBondContact CE2-O 3.32Å; F502-V509 HydrophobicContact CD2-CG2 4.36Å
503	D	73.7	Confident	77.2	Confident	28 Å²	28	48.7 Å²	48.7	15%	0.15	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	98.6	172.7	-170.6	-30.8	0	0	0	109.2	R505 I506 G507 Q508 K510	D503-R505 PolarHBondContact O-N 3.17Å; D503-R505 VanDerWaalsContact O-N 3.12Å; D503-R505 WeakPolarHBondContact OD1-CA 3.48Å; D503-R505 VanDerWaalsContact OD1-CB 3.29Å; D503-R505 WeakPolarHBondContact OD1-CB 3.29Å; D503-R505 PolarHBondContact OD1-N 2.87Å; D503-I506 HydrophobicContact CB-CD1 4.2Å; D503-I506 HydrophobicContact CB-CG1 3.74Å; D503-I506 PolarHBondContact O-N 3.05Å; D503-I506 PolarHBondContact OD1-N 3.11Å; D503-G507 WeakPolarHBondContact O-CA 3.18Å; D503-G507 PolarHBondContact O-N 3.43Å; D503-Q508 PolarHBondContact N-O 3.18Å; D503-Q508 PolarHBondContact O-N 2.77Å; D503-K510 HydrophobicContact CB-CD 4.29Å; D503-K510 WeakPolarHBondContact OD2-CE 3.14Å; D503-K510 IonicContact OD2-NZ 3.27Å; D503-K510 PolarHBondContact OD2-NZ 3.03Å
504	Y	70.1	Confident	77	Confident	35 Å²	35	47.1 Å²	47.1	14%	0.137	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.2	179.5	-67.4	-75.4	0	0	0	114	T455 D467 K469 F502	T455-Y504 WeakPolarHBondContact CB-O 3.49Å; T455-Y504 VanDerWaalsContact CG2-O 3.31Å; T455-Y504 WeakPolarHBondContact CG2-O 3.37Å; D467-Y504 PolarHBondContact OD2-OH 3.07Å; K469-Y504 HydrophobicContact CB-CD1 4.33Å; K469-Y504 HydrophobicContact CB-CD2 4.02Å; K469-Y504 HydrophobicContact CB-CE1 4.45Å; K469-Y504 HydrophobicContact CB-CE2 4.12Å; K469-Y504 HydrophobicContact CB-CG 4.13Å; K469-Y504 HydrophobicContact CD-CD1 3.44Å; K469-Y504 VanDerWaalsContact CD-CD1 3.44Å; K469-Y504 HydrophobicContact CD-CE1 3.77Å; K469-Y504 HydrophobicContact CD-CG 3.91Å; K469-Y504 HydrophobicContact CG-CD1 3.69Å; K469-Y504 HydrophobicContact CG-CD2 4.2Å; K469-Y504 HydrophobicContact CG-CE1 3.6Å; K469-Y504 HydrophobicContact CG-CE2 4.09Å; K469-Y504 HydrophobicContact CG-CG 4.01Å; F502-Y504 AromaticContact CD1-CD1 3.37Å; F502-Y504 HydrophobicContact CD1-CD1 3.37Å; F502-Y504 HydrophobicContact CD1-CD2 4.3Å; F502-Y504 AromaticContact CD1-CE1 3.41Å; F502-Y504 HydrophobicContact CD1-CE1 3.41Å; F502-Y504 VanDerWaalsContact CD1-CE1 3.41Å; F502-Y504 HydrophobicContact CD1-CE2 4.36Å; F502-Y504 AromaticContact CD1-CG 3.83Å; F502-Y504 HydrophobicContact CD1-CG 3.83Å; F502-Y504 AromaticContact CD1-CZ 3.94Å; F502-Y504 AromaticContact CE1-CD1 3.5Å; F502-Y504 HydrophobicContact CE1-CD1 3.5Å; F502-Y504 VanDerWaalsContact CE1-CD1 3.5Å; F502-Y504 AromaticContact CE1-CE1 3.85Å; F502-Y504 HydrophobicContact CE1-CE1 3.85Å; F502-Y504 HydrophobicContact CE1-CG 4.15Å; F502-Y504 PolarHBondContact O-N 2.75Å
505	R	68.1	Low	77.2	Confident	230 Å²	230	47.3 Å²	47.3	87%	0.868	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-47.1	179.8	-60.3	-177.1	175.9	-170.6	-0.6	111.9	D503	D503-R505 PolarHBondContact O-N 3.17Å; D503-R505 VanDerWaalsContact O-N 3.12Å; D503-R505 WeakPolarHBondContact OD1-CA 3.48Å; D503-R505 VanDerWaalsContact OD1-CB 3.29Å; D503-R505 WeakPolarHBondContact OD1-CB 3.29Å; D503-R505 PolarHBondContact OD1-N 2.87Å
506	I	67.2	Low	77.4	Confident	61 Å²	61	43.5 Å²	43.5	31%	0.313	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-11.3	-177.6	63.6	-180	0	0	0	113	D503 Q508	D503-I506 HydrophobicContact CB-CD1 4.2Å; D503-I506 HydrophobicContact CB-CG1 3.74Å; D503-I506 PolarHBondContact O-N 3.05Å; D503-I506 PolarHBondContact OD1-N 3.11Å; I506-Q508 HydrophobicContact CB-CG 4.5Å; I506-Q508 HydrophobicContact CD1-CB 3.94Å; I506-Q508 HydrophobicContact CD1-CG 4.01Å; I506-Q508 HydrophobicContact CG1-CB 3.9Å; I506-Q508 HydrophobicContact CG1-CG 3.92Å
507	G	66.8	Low	77.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	19.6	-179.1	0	0	0	0	0	114.4	R452 S453 F502 D503	R452-G507 CarbonylContact C-O 3.54Å; R452-G507 WeakPolarHBondContact CA-O 3.42Å; S453-G507 PolarHBondContact N-O 2.94Å; F502-G507 VanDerWaalsContact CE2-C 3.47Å; F502-G507 VanDerWaalsContact CE2-O 3.26Å; F502-G507 WeakPolarHBondContact CE2-O 3.32Å; D503-G507 WeakPolarHBondContact O-CA 3.18Å; D503-G507 PolarHBondContact O-N 3.43Å
508	Q	69.4	Low	78.5	Confident	71 Å²	71	45.9 Å²	45.9	33%	0.332	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	153.1	-174.6	-64.7	-177	-6.4	0	0	112.1	G450 D503 I506	G450-Q508 WeakPolarHBondContact O-CB 3.32Å; D503-Q508 PolarHBondContact N-O 3.18Å; D503-Q508 PolarHBondContact O-N 2.77Å; I506-Q508 HydrophobicContact CB-CG 4.5Å; I506-Q508 HydrophobicContact CD1-CB 3.94Å; I506-Q508 HydrophobicContact CD1-CG 4.01Å; I506-Q508 HydrophobicContact CG1-CB 3.9Å; I506-Q508 HydrophobicContact CG1-CG 3.92Å
509	V	69.4	Low	79	Confident	19 Å²	19	50.8 Å²	50.8	12%	0.115	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	127.1	169.1	177.2	0	0	0	0	108.7	F441 F447 W500 S501 F502 I511	F441-V509 HydrophobicContact CE1-CG2 3.81Å; F441-V509 HydrophobicContact CZ-CG2 3.6Å; F447-V509 HydrophobicContact CD2-CG2 3.86Å; F447-V509 HydrophobicContact CE2-CG1 4.45Å; F447-V509 HydrophobicContact CE2-CG2 4.22Å; W500-V509 HydrophobicContact CB-CG1 4.11Å; W500-V509 HydrophobicContact CD2-CG1 4.27Å; W500-V509 HydrophobicContact CE3-CG1 3.67Å; W500-V509 HydrophobicContact CE3-CG2 4.4Å; W500-V509 HydrophobicContact CZ3-CG1 4.43Å; W500-V509 HydrophobicContact CZ3-CG2 4.36Å; S501-V509 CarbonylContact O-C 3.59Å; S501-V509 WeakPolarHBondContact O-CA 3.32Å; F502-V509 HydrophobicContact CD2-CG2 4.36Å; V509-I511 HydrophobicContact CG1-CD1 4.09Å
510	K	71.9	Confident	79.5	Confident	81 Å²	81	51 Å²	51	35%	0.352	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	136.7	173.1	-65.9	-176.4	178.4	173.9	0	109.4	W500 S501 D503	W500-K510 CarbonylContact C-O 3.48Å; W500-K510 WeakPolarHBondContact CA-O 3.18Å; S501-K510 PolarHBondContact N-O 3.48Å; S501-K510 PolarHBondContact O-N 2.78Å; D503-K510 HydrophobicContact CB-CD 4.29Å; D503-K510 WeakPolarHBondContact OD2-CE 3.14Å; D503-K510 IonicContact OD2-NZ 3.27Å; D503-K510 PolarHBondContact OD2-NZ 3.03Å
511	I	72	Confident	79.9	Confident	87 Å²	87	53.3 Å²	53.3	45%	0.446	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.3	173.3	-54.7	-58.8	0	0	0	108.2	L477 L498 T499 W500 V509	L477-I511 HydrophobicContact CD2-CD1 3.84Å; L498-I511 HydrophobicContact CD2-CG2 4.3Å; T499-I511 WeakPolarHBondContact O-CA 3.39Å; W500-I511 HydrophobicContact CB-CD1 3.47Å; W500-I511 VanDerWaalsContact CB-CD1 3.47Å; V509-I511 HydrophobicContact CG1-CD1 4.09Å
512	N	73.1	Confident	80.5	Confident	67 Å²	67	52.9 Å²	52.9	36%	0.358	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	172.3	176.8	-71.3	-8.3	0	0	0	109.7	L498 T499	L498-N512 WeakPolarHBondContact CA-O 3.3Å; L498-N512 WeakPolarHBondContact CD2-O 3.38Å; T499-N512 PolarHBondContact N-O 3.14Å; T499-N512 PolarHBondContact O-N 3.21Å; T499-N512 VanDerWaalsContact O-O 3.1Å
513	Y	76.2	Confident	81.2	Confident	24 Å²	24	52.6 Å²	52.6	9%	0.094	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	148.2	164.4	54.2	-89.9	0	0	0	108.8	I68 D140 L142 F496 G497	I68-Y513 HydrophobicContact CB-CE1 4.17Å; I68-Y513 HydrophobicContact CD1-CE1 4.05Å; D140-Y513 PolarHBondContact O-OH 3.33Å; L142-Y513 HydrophobicContact CD1-CD1 4.44Å; L142-Y513 HydrophobicContact CD1-CD2 3.93Å; L142-Y513 HydrophobicContact CD1-CE1 3.82Å; L142-Y513 HydrophobicContact CD1-CE2 3.27Å; L142-Y513 HydrophobicContact CD1-CG 4.48Å; L142-Y513 VanDerWaalsContact CD1-OH 3.3Å; L142-Y513 WeakPolarHBondContact CD1-OH 3.27Å; L142-Y513 HydrophobicContact CD2-CE2 3.87Å; L142-Y513 HydrophobicContact CG-CE2 3.68Å; L142-Y513 WeakPolarHBondContact CG-OH 3.07Å; F496-Y513 HydrophobicContact CD1-CD2 4.09Å; F496-Y513 HydrophobicContact CE1-CD2 4.4Å; G497-Y513 CarbonylContact O-C 3.56Å; G497-Y513 WeakPolarHBondContact O-CA 3.09Å
514	E	84.1	Confident	82.3	Confident	26 Å²	26	51.2 Å²	51.2	12%	0.121	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	157.1	172.8	-66.5	-155.9	170.4	0	0	110.9	K474 W476 F496 G497 T499 S518 N520	K474-E514 WeakPolarHBondContact CD-OE1 3.19Å; K474-E514 VanDerWaalsContact CE-OE1 3.26Å; K474-E514 WeakPolarHBondContact CE-OE1 3.39Å; K474-E514 IonicContact NZ-OE1 3.24Å; K474-E514 PolarHBondContact NZ-OE1 2.9Å; W476-E514 HydrophobicContact CH2-CB 4.01Å; W476-E514 HydrophobicContact CZ3-CB 4.13Å; F496-E514 CarbonylContact C-O 3.59Å; F496-E514 VanDerWaalsContact CA-O 3.22Å; F496-E514 WeakPolarHBondContact CA-O 3Å; G497-E514 PolarHBondContact N-O 2.99Å; G497-E514 PolarHBondContact O-N 2.95Å; T499-E514 HydrophobicContact CG2-CB 3.97Å; T499-E514 HydrophobicContact CG2-CG 3.84Å; E514-S518 WeakPolarHBondContact OE2-CB 3.4Å; E514-N520 VanDerWaalsContact OE2-CG 3.31Å; E514-N520 PolarHBondContact OE2-ND2 2.85Å; E514-N520 PolarHBondContact OE2-OD1 3.11Å; E514-N520 VanDerWaalsContact OE2-OD1 3.12Å
515	K	90.4	Very high	83.5	Confident	100 Å²	100	50 Å²	50	44%	0.435	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	146.5	174.1	-65	178.2	179.2	179.1	0	109.7	W476 K495 F496 D517 S518	W476-K515 WeakPolarHBondContact CH2-O 3.08Å; K495-K515 WeakPolarHBondContact O-CA 3.3Å; F496-K515 HydrophobicContact CD1-CG 4.13Å; F496-K515 HydrophobicContact CE1-CG 3.57Å; F496-K515 HydrophobicContact CZ-CG 4.11Å; K515-D517 WeakPolarHBondContact CB-OD1 3.45Å; K515-D517 PolarHBondContact O-N 2.69Å; K515-D517 VanDerWaalsContact O-N 3.14Å; K515-S518 WeakPolarHBondContact O-CB 3.43Å; K515-S518 PolarHBondContact O-N 2.6Å; K515-S518 PolarHBondContact O-OG 3.05Å; K515-S518 VanDerWaalsContact O-OG 3.05Å
516	C	91.5	Very high	84.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.4	-174.3	-62.4	0	0	0	0	114.6	T381 G382 C485 T490 S492 K495 F496 S518	T381-C516 WeakPolarHBondContact CB-O 3.43Å; G382-C516 PolarHBondContact N-O 2.94Å; C485-C516 WeakPolarHBondContact CA-SG 3.37Å; C485-C516 HydrophobicContact CB-CB 3.78Å; C485-C516 WeakPolarHBondContact CB-SG 3.39Å; C485-C516 VanDerWaalsContact SG-CA 3.54Å; C485-C516 WeakPolarHBondContact SG-CB 3.3Å; C485-C516 CovalentContact SG-SG 2.03Å; C485-C516 PolarHBondContact SG-SG 2.89Å; T490-C516 WeakPolarHBondContact O-CB 3.31Å; S492-C516 WeakPolarHBondContact O-CB 3.3Å; K495-C516 HydrophobicContact CB-CB 4.33Å; K495-C516 VanDerWaalsContact CB-SG 3.57Å; K495-C516 PolarHBondContact O-N 3.03Å; K495-C516 PolarHBondContact O-SG 3.07Å; K495-C516 VanDerWaalsContact O-SG 3.33Å; F496-C516 PolarHBondContact N-SG 3.26Å; C516-S518 VanDerWaalsContact C-N 3.3Å
517	D	93.5	Very high	85.7	Confident	70 Å²	70	40.1 Å²	40.1	37%	0.374	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-8.3	170.7	62.4	-14.8	0	0	0	113.4	T381 D491 S493 K515	T381-D517 WeakPolarHBondContact CG2-O 3.45Å; D491-D517 WeakPolarHBondContact O-CA 3.47Å; D491-D517 VanDerWaalsContact O-CB 3.31Å; D491-D517 WeakPolarHBondContact O-CB 3.37Å; D491-D517 PolarHBondContact O-N 3.06Å; S493-D517 WeakPolarHBondContact CB-OD2 3.43Å; K515-D517 WeakPolarHBondContact CB-OD1 3.45Å; K515-D517 PolarHBondContact O-N 2.69Å; K515-D517 VanDerWaalsContact O-N 3.14Å
518	S	93.8	Very high	86.5	Confident	33 Å²	33	44.6 Å²	44.6	23%	0.231	22%	0.218	C	C	.	.	S	Bend	trans	-70.9	146.2	178.3	-57.7	0	0	0	0	111.1	T381 W476 E514 K515 C516	T381-S518 WeakPolarHBondContact CA-O 3.48Å; W476-S518 VanDerWaalsContact CZ2-O 3.28Å; W476-S518 WeakPolarHBondContact CZ2-O 3.47Å; E514-S518 WeakPolarHBondContact OE2-CB 3.4Å; K515-S518 WeakPolarHBondContact O-CB 3.43Å; K515-S518 PolarHBondContact O-N 2.6Å; K515-S518 PolarHBondContact O-OG 3.05Å; K515-S518 VanDerWaalsContact O-OG 3.05Å; C516-S518 VanDerWaalsContact C-N 3.3Å
519	I	93.9	Very high	87	Confident	117 Å²	117	47.9 Å²	47.9	60%	0.6	23%	0.232	S	C	*	.			trans	-96	108.6	-175.7	-64.6	172.7	0	0	0	109.2	P379 T381	P379-I519 HydrophobicContact CB-CG2 3.51Å; P379-I519 HydrophobicContact CG-CG2 3.64Å; T381-I519 HydrophobicContact CG2-CG1 4.08Å
520	N	94.5	Very high	86.5	Confident	6 Å²	6	49.3 Å²	49.3	3%	0.032	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-131.2	162.6	-179.3	-63.4	-63.8	0	0	0	112.3	P379 L380 K474 W476 E514	P379-N520 CarbonylContact C-O 3.56Å; P379-N520 WeakPolarHBondContact CA-O 3.36Å; L380-N520 PolarHBondContact N-O 3.33Å; L380-N520 PolarHBondContact O-N 2.81Å; K474-N520 WeakPolarHBondContact CB-OD1 3.28Å; W476-N520 HydrophobicContact CD2-CB 4.01Å; W476-N520 HydrophobicContact CG-CB 4.08Å; W476-N520 WeakPolarHBondContact CH2-ND2 3.29Å; W476-N520 HydrophobicContact CZ2-CB 4.25Å; W476-N520 WeakPolarHBondContact CZ2-ND2 3.48Å; E514-N520 VanDerWaalsContact OE2-CG 3.31Å; E514-N520 PolarHBondContact OE2-ND2 2.85Å; E514-N520 PolarHBondContact OE2-OD1 3.11Å; E514-N520 VanDerWaalsContact OE2-OD1 3.12Å
521	Y	95.6	Very high	85.2	Confident	48 Å²	48	52 Å²	52	19%	0.188	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	160.5	-178.7	-67.8	-97	0	0	0	111.7	F375 H376 P379 K473 K474 F475 W476	F375-Y521 AromaticContact CD2-CD1 3.8Å; F375-Y521 HydrophobicContact CD2-CD1 3.8Å; F375-Y521 HydrophobicContact CD2-CE1 4.32Å; F375-Y521 HydrophobicContact CD2-CG 4.49Å; F375-Y521 HydrophobicContact CE2-CD1 4.16Å; F375-Y521 HydrophobicContact CE2-CE1 4.23Å; H376-Y521 VanDerWaalsContact O-CD1 3.32Å; H376-Y521 WeakPolarHBondContact O-CD1 3.21Å; P379-Y521 HydrophobicContact CB-CD1 4.1Å; P379-Y521 HydrophobicContact CB-CD2 4.02Å; P379-Y521 HydrophobicContact CB-CE1 3.98Å; P379-Y521 HydrophobicContact CB-CE2 3.86Å; P379-Y521 HydrophobicContact CB-CG 4.13Å; P379-Y521 HydrophobicContact CG-CE1 4.25Å; P379-Y521 HydrophobicContact CG-CE2 4.4Å; K473-Y521 HydrophobicContact CB-CD2 4.2Å; K473-Y521 HydrophobicContact CB-CE2 4.42Å; K473-Y521 HydrophobicContact CD-CD2 4.34Å; K473-Y521 HydrophobicContact CD-CE1 4.48Å; K473-Y521 HydrophobicContact CD-CE2 4.17Å; K473-Y521 HydrophobicContact CG-CD2 4.27Å; K473-Y521 HydrophobicContact CG-CE2 4.03Å; K473-Y521 VanDerWaalsContact NZ-CZ 3.35Å; K473-Y521 PolarHBondContact NZ-OH 2.83Å; K474-Y521 PolarHBondContact O-N 3.27Å; F475-Y521 CarbonylContact C-O 3.57Å; F475-Y521 WeakPolarHBondContact CA-O 3.14Å; F475-Y521 VanDerWaalsContact CD1-CB 3.46Å; F475-Y521 HydrophobicContact CE1-CG 4.36Å; W476-Y521 PolarHBondContact N-O 3.2Å
522	L	95.8	Very high	83.3	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	131.2	166.8	-65.9	176.1	0	0	0	109.1	F375 H376 L380 F385 A391 V410 L412 W476	F375-L522 CarbonylContact C-O 3.44Å; F375-L522 WeakPolarHBondContact CA-O 3.34Å; F375-L522 WeakPolarHBondContact CB-O 3.26Å; H376-L522 HydrophobicContact CB-CB 3.95Å; H376-L522 PolarHBondContact N-O 3.25Å; L380-L522 HydrophobicContact CD1-CD1 3.7Å; L380-L522 HydrophobicContact CD1-CG 4.2Å; F385-L522 HydrophobicContact CD1-CD1 4.42Å; F385-L522 HydrophobicContact CD1-CD2 4.47Å; F385-L522 HydrophobicContact CE1-CD2 4.03Å; F385-L522 HydrophobicContact CZ-CD2 4.21Å; A391-L522 HydrophobicContact CB-CD1 3.95Å; V410-L522 HydrophobicContact CG2-CB 4.33Å; V410-L522 HydrophobicContact CG2-CD1 4.49Å; V410-L522 HydrophobicContact CG2-CD2 4.28Å; L412-L522 HydrophobicContact CD1-CD2 4.25Å; W476-L522 HydrophobicContact CB-CD2 4.22Å
523	M	95.3	Very high	81.2	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	131.7	167.1	-175.6	56.1	63	0	0	109	F373 A374 F375 L411 L459 F475 W500	F373-M523 HydrophobicContact CB-SD 4.14Å; F373-M523 HydrophobicContact CD2-CG 4.36Å; F373-M523 HydrophobicContact CD2-SD 4.05Å; F373-M523 HydrophobicContact CE2-CG 4.39Å; F373-M523 HydrophobicContact CG-SD 4.11Å; A374-M523 VanDerWaalsContact O-SD 3.38Å; F375-M523 HydrophobicContact CB-CE 4.13Å; F375-M523 HydrophobicContact CB-SD 4.42Å; L411-M523 HydrophobicContact CB-CB 4.2Å; L411-M523 HydrophobicContact CB-CG 4.26Å; L411-M523 HydrophobicContact CD2-CB 4.43Å; L411-M523 HydrophobicContact CD2-CG 4.06Å; L411-M523 PolarHBondContact N-O 2.8Å; L459-M523 HydrophobicContact CD1-CE 3.96Å; F475-M523 HydrophobicContact CB-CB 4.5Å; F475-M523 HydrophobicContact CD1-CB 4.3Å; F475-M523 HydrophobicContact CD1-CE 3.92Å; F475-M523 HydrophobicContact CD2-CE 4.28Å; F475-M523 HydrophobicContact CE1-CE 3.69Å; F475-M523 HydrophobicContact CE2-CE 4.04Å; F475-M523 HydrophobicContact CG-CB 4.48Å; F475-M523 HydrophobicContact CG-CE 4.23Å; F475-M523 HydrophobicContact CZ-CE 3.74Å; W500-M523 HydrophobicContact CH2-CE 3.8Å; W500-M523 HydrophobicContact CZ2-CB 4.12Å; W500-M523 HydrophobicContact CZ2-CE 3.47Å; W500-M523 VanDerWaalsContact CZ2-CE 3.47Å; W500-M523 HydrophobicContact CZ2-CG 3.94Å; W500-M523 HydrophobicContact CZ2-SD 4.44Å
524	C	95.5	Very high	81.4	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	150.3	176	-49	0	0	0	0	109.3	A374 C395 F408 K409 L462	A374-C524 PolarHBondContact N-O 3.34Å; A374-C524 CarbonylContact O-C 3.49Å; A374-C524 VanDerWaalsContact O-CA 3.26Å; A374-C524 WeakPolarHBondContact O-CA 2.86Å; A374-C524 VanDerWaalsContact O-CB 3.27Å; A374-C524 WeakPolarHBondContact O-CB 3.25Å; A374-C524 PolarHBondContact O-N 3.32Å; C395-C524 HydrophobicContact CB-CB 3.74Å; C395-C524 WeakPolarHBondContact CB-SG 3.26Å; C395-C524 WeakPolarHBondContact SG-CB 3.31Å; C395-C524 CovalentContact SG-SG 2.04Å; C395-C524 PolarHBondContact SG-SG 3.3Å; F408-C524 HydrophobicContact CD1-CB 4.02Å; K409-C524 CarbonylContact O-C 3.49Å; K409-C524 VanDerWaalsContact O-CA 3.23Å; K409-C524 WeakPolarHBondContact O-CA 3.3Å; L462-C524 HydrophobicContact CD1-CB 4.26Å
525	Y	94.8	Very high	81.3	Confident	8 Å²	8	61.6 Å²	61.6	3%	0.031	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	153.4	177.8	76.6	-77.5	0	0	0	112.7	I371 V372 K409 V410 L411 H422 I423 I527	I371-Y525 HydrophobicContact CG2-CD2 4.42Å; V372-Y525 CarbonylContact O-C 3.4Å; V372-Y525 WeakPolarHBondContact O-CA 3.42Å; V372-Y525 WeakPolarHBondContact O-CB 3.43Å; K409-Y525 HydrophobicContact CB-CD1 4.2Å; K409-Y525 HydrophobicContact CB-CE1 3.65Å; K409-Y525 PolarHBondContact N-O 3.21Å; K409-Y525 WeakPolarHBondContact O-CD1 3.07Å; K409-Y525 PolarHBondContact O-N 2.89Å; V410-Y525 WeakPolarHBondContact O-CE1 2.93Å; L411-Y525 HydrophobicContact CB-CD1 3.96Å; L411-Y525 HydrophobicContact CB-CE1 4.46Å; L411-Y525 HydrophobicContact CD1-CD1 4.49Å; H422-Y525 WeakPolarHBondContact CA-OH 3.22Å; H422-Y525 HydrophobicContact CB-CE1 4.3Å; H422-Y525 AromaticContact ND1-CE1 3.85Å; H422-Y525 PolarHBondContact O-OH 3.37Å; H422-Y525 VanDerWaalsContact O-OH 3.08Å; I423-Y525 HydrophobicContact CD1-CD2 3.92Å; I423-Y525 HydrophobicContact CD1-CE2 4.04Å; I423-Y525 HydrophobicContact CG1-CD2 4.29Å; I423-Y525 HydrophobicContact CG1-CE2 3.88Å; Y525-I527 HydrophobicContact CD2-CG1 4.4Å; Y525-I527 HydrophobicContact CE2-CG1 4.29Å
526	K	92.1	Very high	80.8	Confident	33 Å²	33	59.4 Å²	59.4	14%	0.143	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	134.3	169.5	-176.2	179.9	173	88	0	109.2	V372 I405 P406 D407 F408 M528	V372-K526 PolarHBondContact N-O 3.41Å; V372-K526 PolarHBondContact O-N 3.03Å; I405-K526 HydrophobicContact CG2-CD 3.58Å; P406-K526 PolarHBondContact O-NZ 3.29Å; D407-K526 IonicContact OD2-NZ 2.75Å; F408-K526 HydrophobicContact CD1-CB 4.09Å; F408-K526 HydrophobicContact CD2-CB 4.12Å; F408-K526 HydrophobicContact CD2-CD 4.16Å; F408-K526 HydrophobicContact CE1-CB 4.02Å; F408-K526 HydrophobicContact CE2-CB 4.06Å; F408-K526 HydrophobicContact CE2-CD 4.03Å; F408-K526 HydrophobicContact CG-CB 4.15Å; F408-K526 HydrophobicContact CZ-CB 4.01Å; K526-M528 HydrophobicContact CD-CG 4.5Å
527	I	90.2	Very high	80.1	Confident	52 Å²	52	62.9 Å²	62.9	27%	0.267	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	113.3	170	-60	174.6	0	0	0	107	I371 Y427 Y525	I371-I527 HydrophobicContact CG1-CG1 4.38Å; Y427-I527 HydrophobicContact CD1-CD1 4.43Å; Y427-I527 HydrophobicContact CD1-CG2 4.3Å; Y427-I527 HydrophobicContact CD2-CD1 4.39Å; Y427-I527 HydrophobicContact CE1-CD1 4.19Å; Y427-I527 HydrophobicContact CE1-CG2 3.58Å; Y427-I527 HydrophobicContact CE2-CD1 4.12Å; Y525-I527 HydrophobicContact CD2-CG1 4.4Å; Y525-I527 HydrophobicContact CE2-CG1 4.29Å
528	M	84.5	Confident	79.3	Confident	93 Å²	93	62.5 Å²	62.5	46%	0.458	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	127	173.4	-70.9	-171.2	73.6	0	0	109.5	E369 K370 V372 K526	E369-M528 WeakPolarHBondContact CA-O 3.41Å; K370-M528 PolarHBondContact N-O 3.22Å; K370-M528 PolarHBondContact O-N 3.17Å; V372-M528 HydrophobicContact CG2-CB 4.49Å; V372-M528 HydrophobicContact CG2-CG 3.71Å; V372-M528 HydrophobicContact CG2-SD 3.43Å; V372-M528 WeakPolarHBondContact CG2-SD 3.45Å; K526-M528 HydrophobicContact CD-CG 4.5Å
529	K	78.3	Confident	78.3	Confident	141 Å²	141	64.5 Å²	64.5	61%	0.613	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	118.6	163.9	-63.3	-177.3	177.1	-179.7	0	106.4	E369 T531	E369-K529 HydrophobicContact CG-CG 4.21Å; E369-K529 WeakPolarHBondContact OE1-CE 3.3Å; K529-T531 PolarHBondContact O-N 2.71Å
530	S	59	Low	77.2	Confident	48 Å²	48	60.7 Å²	60.7	34%	0.336	35%	0.348	S	S	.	.			trans	-66.3	100.8	173.6	178.6	0	0	0	0	108.8	K368 I532	K368-S530 WeakPolarHBondContact O-CB 3.25Å; K368-S530 PolarHBondContact O-N 3.24Å; S530-I532 PolarHBondContact O-N 3.42Å; S530-I532 VanDerWaalsContact O-N 3.13Å; S530-I532 VanDerWaalsContact OG-CD1 3.23Å; S530-I532 WeakPolarHBondContact OG-CD1 3.49Å; S530-I532 VanDerWaalsContact OG-CG1 3.24Å; S530-I532 WeakPolarHBondContact OG-CG1 3.25Å
531	T	44.1	Very low	75.9	Confident	137 Å²	137	64.9 Å²	64.9	84%	0.84	37%	0.373	S	S	*	.			trans	-80.4	66.4	162.1	48.5	0	0	0	0	107.8	K529 A533	K529-T531 PolarHBondContact O-N 2.71Å; T531-A533 PolarHBondContact O-N 3.13Å
532	I	33.5	Very low	74.3	Confident	120 Å²	120	66.3 Å²	66.3	62%	0.615	39%	0.388	S	S	*	.			trans	-78.9	108.8	160.5	-70.4	164.5	0	0	0	105.8	K368 S530	K368-I532 PolarHBondContact NZ-O 3.42Å; S530-I532 PolarHBondContact O-N 3.42Å; S530-I532 VanDerWaalsContact O-N 3.13Å; S530-I532 VanDerWaalsContact OG-CD1 3.23Å; S530-I532 WeakPolarHBondContact OG-CD1 3.49Å; S530-I532 VanDerWaalsContact OG-CG1 3.24Å; S530-I532 WeakPolarHBondContact OG-CG1 3.25Å
533	A	28	Very low	72.3	Confident	163 Å²	163	72.3 Å²	72.3	100%	1.347	42%	0.423	S	S	*	.			trans	-55.9	0	161.1	0	0	0	0	0	111.5	T531	T531-A533 PolarHBondContact O-N 3.13Å

Retrieved 533 of 533 residues in 78.7 ms (Link to these results)

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